data_16851 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16851 _Entry.Title ; The structure of E-protein activation domain 1 bound to the KIX domain of CBP/p300 elucidates leukemia induction by E2A-PBX1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-08 _Entry.Accession_date 2010-04-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Christopher Denis . M. . 16851 2 Seth Chitayat . . . 16851 3 Michael Plevin . J. . 16851 4 Shuang Liu . . . 16851 5 Holly Spencer . L. . 16851 6 Mitsuhiko Ikura . . . 16851 7 David LeBrun . P. . 16851 8 Steven Smith . P. . 16851 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16851 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Queen's University' . 16851 2 . 'Ontario Cancer Institute, University of Toronto' . 16851 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID complex . 16851 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16851 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 438 16851 '15N chemical shifts' 112 16851 '1H chemical shifts' 656 16851 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-16 2010-04-08 update BMRB 'update entry citation' 16851 1 . . 2012-08-02 2010-04-08 original author 'original release' 16851 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KWF 'BMRB Entry Tracking System' 16851 stop_ save_ ############### # Citations # ############### save_KIX_ETAD1 _Citation.Sf_category citations _Citation.Sf_framecode KIX_ETAD1 _Citation.Entry_ID 16851 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24682819 _Citation.Full_citation . _Citation.Title 'Functional redundancy between the transcriptional activation domains of E2A is mediated by binding to the KIX domain of CBP/p300.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2014 _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 Christopher Denis . M. . 16851 1 2 David Langelaan . N. . 16851 1 3 Alyssa Kirlin . C. . 16851 1 4 Seth Chitayat . . . 16851 1 5 Kim Munro . . . 16851 1 6 Holly Spencer . L. . 16851 1 7 David LeBrun . P. . 16851 1 8 Steven Smith . P. . 16851 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID complex 16851 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16851 _Assembly.ID 1 _Assembly.Name KIX_ETAD1 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12375.152 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 KIX 1 $KIX A . yes native no no . . . 16851 1 2 ETAD1 2 $ETAD1 B . yes native no no . . . 16851 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KIX _Entity.Sf_category entity _Entity.Sf_framecode KIX _Entity.Entry_ID 16851 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KIX _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GVRKGWHEHVTQDLRSHLVH KLVQAIFPTPDPAALKDRRM ENLVAYAKKVEGDMYESANS RDEYYHLLAEKIYKIQKELE EKRRSRL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10353.954 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18314 . entity_1 . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 16851 1 2 no BMRB 18315 . KIX . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 16851 1 3 no BMRB 18694 . KIX_1 . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 16851 1 4 no BMRB 18695 . KIX_1 . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 16851 1 5 no PDB 1KDX . "Kix Domain Of Mouse Cbp (Creb Binding Protein) In Complex With Phosphorylated Kinase Inducible Domain (Pkid) Of Rat Creb (Cycli" . . . . . 91.95 81 100.00 100.00 1.80e-50 . . . . 16851 1 6 no PDB 1SB0 . "Solution Structure Of The Kix Domain Of Cbp Bound To The Transactivation Domain Of C-Myb" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 16851 1 7 no PDB 2AGH . "Structural Basis For Cooperative Transcription Factor Binding To The Cbp Coactivator" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 16851 1 8 no PDB 2KWF . "The Structure Of E-Protein Activation Domain 1 Bound To The Kix Domain Of CbpP300 ELUCIDATES LEUKEMIA INDUCTION BY E2A-Pbx1" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 16851 1 9 no PDB 2LQH . "Nmr Structure Of Foxo3a Transactivation Domains (Cr2c-Cr3) In Complex With Cbp Kix Domain (2b3l Conformation)" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 16851 1 10 no PDB 2LQI . "Nmr Structure Of Foxo3a Transactivation Domains (Cr2c-Cr3) In Complex With Cbp Kix Domain (2l3b Conformation)" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 16851 1 11 no PDB 2LXS . "Allosteric Communication In The Kix Domain Proceeds Through Dynamic Re-packing Of The Hydrophobic Core" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 16851 1 12 no PDB 2LXT . "Allosteric Communication In The Kix Domain Proceeds Through Dynamic Re-packing Of The Hydrophobic Core" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 16851 1 13 no DBJ BAE06125 . "CREBBP variant protein [Homo sapiens]" . . . . . 100.00 2404 100.00 100.00 4.26e-51 . . . . 16851 1 14 no DBJ BAG65526 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1198 100.00 100.00 2.02e-50 . . . . 16851 1 15 no DBJ BAI45616 . "CREB binding protein [synthetic construct]" . . . . . 100.00 2442 100.00 100.00 4.30e-51 . . . . 16851 1 16 no GB AAB28651 . "CREB-binding protein [Mus sp.]" . . . . . 100.00 2441 98.85 100.00 9.48e-51 . . . . 16851 1 17 no GB AAC08447 . "CBP [Homo sapiens]" . . . . . 100.00 555 100.00 100.00 7.56e-55 . . . . 16851 1 18 no GB AAC51331 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 2442 100.00 100.00 4.30e-51 . . . . 16851 1 19 no GB AAC51770 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 2442 100.00 100.00 4.30e-51 . . . . 16851 1 20 no GB AAH72594 . "Crebbp protein, partial [Mus musculus]" . . . . . 100.00 1589 100.00 100.00 1.76e-51 . . . . 16851 1 21 no PRF 1923401A . "protein CBP" . . . . . 100.00 2441 97.70 98.85 1.20e-49 . . . . 16851 1 22 no REF NP_001020603 . "CREB-binding protein [Mus musculus]" . . . . . 100.00 2441 100.00 100.00 4.59e-51 . . . . 16851 1 23 no REF NP_001073315 . "CREB-binding protein isoform b [Homo sapiens]" . . . . . 100.00 2404 100.00 100.00 4.26e-51 . . . . 16851 1 24 no REF NP_001157494 . "CREB-binding protein [Bos taurus]" . . . . . 100.00 2435 98.85 98.85 2.85e-50 . . . . 16851 1 25 no REF NP_001247644 . "CREB-binding protein [Macaca mulatta]" . . . . . 100.00 2442 100.00 100.00 4.17e-51 . . . . 16851 1 26 no REF NP_004371 . "CREB-binding protein isoform a [Homo sapiens]" . . . . . 100.00 2442 100.00 100.00 4.30e-51 . . . . 16851 1 27 no SP P45481 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2441 100.00 100.00 4.59e-51 . . . . 16851 1 28 no SP Q6JHU9 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2442 100.00 100.00 4.17e-51 . . . . 16851 1 29 no SP Q92793 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2442 100.00 100.00 4.30e-51 . . . . 16851 1 30 no TPG DAA15549 . "TPA: CREB binding protein [Bos taurus]" . . . . . 100.00 2435 98.85 98.85 2.85e-50 . . . . 16851 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 . 16851 1 2 . VAL . 16851 1 3 . ARG . 16851 1 4 . LYS . 16851 1 5 . GLY . 16851 1 6 . TRP . 16851 1 7 . HIS . 16851 1 8 . GLU . 16851 1 9 . HIS . 16851 1 10 . VAL . 16851 1 11 . THR . 16851 1 12 . GLN . 16851 1 13 . ASP . 16851 1 14 . LEU . 16851 1 15 . ARG . 16851 1 16 . SER . 16851 1 17 . HIS . 16851 1 18 . LEU . 16851 1 19 . VAL . 16851 1 20 . HIS . 16851 1 21 . LYS . 16851 1 22 . LEU . 16851 1 23 . VAL . 16851 1 24 . GLN . 16851 1 25 . ALA . 16851 1 26 . ILE . 16851 1 27 . PHE . 16851 1 28 . PRO . 16851 1 29 . THR . 16851 1 30 . PRO . 16851 1 31 . ASP . 16851 1 32 . PRO . 16851 1 33 . ALA . 16851 1 34 . ALA . 16851 1 35 . LEU . 16851 1 36 . LYS . 16851 1 37 . ASP . 16851 1 38 . ARG . 16851 1 39 . ARG . 16851 1 40 . MET . 16851 1 41 . GLU . 16851 1 42 . ASN . 16851 1 43 . LEU . 16851 1 44 . VAL . 16851 1 45 . ALA . 16851 1 46 . TYR . 16851 1 47 . ALA . 16851 1 48 . LYS . 16851 1 49 . LYS . 16851 1 50 . VAL . 16851 1 51 . GLU . 16851 1 52 . GLY . 16851 1 53 . ASP . 16851 1 54 . MET . 16851 1 55 . TYR . 16851 1 56 . GLU . 16851 1 57 . SER . 16851 1 58 . ALA . 16851 1 59 . ASN . 16851 1 60 . SER . 16851 1 61 . ARG . 16851 1 62 . ASP . 16851 1 63 . GLU . 16851 1 64 . TYR . 16851 1 65 . TYR . 16851 1 66 . HIS . 16851 1 67 . LEU . 16851 1 68 . LEU . 16851 1 69 . ALA . 16851 1 70 . GLU . 16851 1 71 . LYS . 16851 1 72 . ILE . 16851 1 73 . TYR . 16851 1 74 . LYS . 16851 1 75 . ILE . 16851 1 76 . GLN . 16851 1 77 . LYS . 16851 1 78 . GLU . 16851 1 79 . LEU . 16851 1 80 . GLU . 16851 1 81 . GLU . 16851 1 82 . LYS . 16851 1 83 . ARG . 16851 1 84 . ARG . 16851 1 85 . SER . 16851 1 86 . ARG . 16851 1 87 . LEU . 16851 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 16851 1 . VAL 2 2 16851 1 . ARG 3 3 16851 1 . LYS 4 4 16851 1 . GLY 5 5 16851 1 . TRP 6 6 16851 1 . HIS 7 7 16851 1 . GLU 8 8 16851 1 . HIS 9 9 16851 1 . VAL 10 10 16851 1 . THR 11 11 16851 1 . GLN 12 12 16851 1 . ASP 13 13 16851 1 . LEU 14 14 16851 1 . ARG 15 15 16851 1 . SER 16 16 16851 1 . HIS 17 17 16851 1 . LEU 18 18 16851 1 . VAL 19 19 16851 1 . HIS 20 20 16851 1 . LYS 21 21 16851 1 . LEU 22 22 16851 1 . VAL 23 23 16851 1 . GLN 24 24 16851 1 . ALA 25 25 16851 1 . ILE 26 26 16851 1 . PHE 27 27 16851 1 . PRO 28 28 16851 1 . THR 29 29 16851 1 . PRO 30 30 16851 1 . ASP 31 31 16851 1 . PRO 32 32 16851 1 . ALA 33 33 16851 1 . ALA 34 34 16851 1 . LEU 35 35 16851 1 . LYS 36 36 16851 1 . ASP 37 37 16851 1 . ARG 38 38 16851 1 . ARG 39 39 16851 1 . MET 40 40 16851 1 . GLU 41 41 16851 1 . ASN 42 42 16851 1 . LEU 43 43 16851 1 . VAL 44 44 16851 1 . ALA 45 45 16851 1 . TYR 46 46 16851 1 . ALA 47 47 16851 1 . LYS 48 48 16851 1 . LYS 49 49 16851 1 . VAL 50 50 16851 1 . GLU 51 51 16851 1 . GLY 52 52 16851 1 . ASP 53 53 16851 1 . MET 54 54 16851 1 . TYR 55 55 16851 1 . GLU 56 56 16851 1 . SER 57 57 16851 1 . ALA 58 58 16851 1 . ASN 59 59 16851 1 . SER 60 60 16851 1 . ARG 61 61 16851 1 . ASP 62 62 16851 1 . GLU 63 63 16851 1 . TYR 64 64 16851 1 . TYR 65 65 16851 1 . HIS 66 66 16851 1 . LEU 67 67 16851 1 . LEU 68 68 16851 1 . ALA 69 69 16851 1 . GLU 70 70 16851 1 . LYS 71 71 16851 1 . ILE 72 72 16851 1 . TYR 73 73 16851 1 . LYS 74 74 16851 1 . ILE 75 75 16851 1 . GLN 76 76 16851 1 . LYS 77 77 16851 1 . GLU 78 78 16851 1 . LEU 79 79 16851 1 . GLU 80 80 16851 1 . GLU 81 81 16851 1 . LYS 82 82 16851 1 . ARG 83 83 16851 1 . ARG 84 84 16851 1 . SER 85 85 16851 1 . ARG 86 86 16851 1 . LEU 87 87 16851 1 stop_ save_ save_ETAD1 _Entity.Sf_category entity _Entity.Sf_framecode ETAD1 _Entity.Entry_ID 16851 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ETAD1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GSGTDKELSDLLDFSAMFS _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2021.198 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16467 . entity_2 . . . . . 89.47 18 100.00 100.00 2.75e-01 . . . . 16851 2 2 no PDB 2KNH . "The Solution Structure Of The Etafh Domain Of Aml1-Eto Complexed With Heb Peptide" . . . . . 89.47 18 100.00 100.00 2.75e-01 . . . . 16851 2 3 no PDB 2KWF . "The Structure Of E-Protein Activation Domain 1 Bound To The Kix Domain Of CbpP300 ELUCIDATES LEUKEMIA INDUCTION BY E2A-Pbx1" . . . . . 100.00 19 100.00 100.00 1.65e-02 . . . . 16851 2 4 no DBJ BAC26095 . "unnamed protein product [Mus musculus]" . . . . . 89.47 666 100.00 100.00 1.39e+00 . . . . 16851 2 5 no DBJ BAC38116 . "unnamed protein product [Mus musculus]" . . . . . 89.47 666 100.00 100.00 1.22e+00 . . . . 16851 2 6 no DBJ BAE21912 . "unnamed protein product [Mus musculus]" . . . . . 89.47 692 100.00 100.00 1.43e+00 . . . . 16851 2 7 no DBJ BAE21989 . "unnamed protein product [Mus musculus]" . . . . . 89.47 523 100.00 100.00 3.79e-01 . . . . 16851 2 8 no DBJ BAE25324 . "unnamed protein product [Mus musculus]" . . . . . 89.47 139 100.00 100.00 2.15e-01 . . . . 16851 2 9 no EMBL CAA46052 . "ALF1B protein [Mus musculus]" . . . . . 89.47 706 100.00 100.00 4.28e-01 . . . . 16851 2 10 no EMBL CAA62868 . "transciption factor SEF2 [Mus musculus]" . . . . . 89.47 666 100.00 100.00 1.43e+00 . . . . 16851 2 11 no EMBL CAD89914 . "hypothetical protein [Homo sapiens]" . . . . . 89.47 682 100.00 100.00 4.28e-01 . . . . 16851 2 12 no EMBL CAF92364 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 84.21 512 100.00 100.00 1.62e+00 . . . . 16851 2 13 no EMBL CAG00972 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 89.47 91 100.00 100.00 1.03e-01 . . . . 16851 2 14 no GB AAA42115 . "cAMP response element-binding protein alpha [Rattus norvegicus]" . . . . . 89.47 707 100.00 100.00 4.20e-01 . . . . 16851 2 15 no GB AAA58632 . "helix-loop-helix protein [Homo sapiens]" . . . . . 89.47 682 100.00 100.00 4.24e-01 . . . . 16851 2 16 no GB AAA60311 . "SEF2-1B protein [Homo sapiens]" . . . . . 89.47 667 100.00 100.00 1.14e+00 . . . . 16851 2 17 no GB AAB32662 . "class A helix-loop-helix transcription factor ME2 [Mus sp.]" . . . . . 89.47 666 100.00 100.00 1.22e+00 . . . . 16851 2 18 no GB AAB62389 . "transcription factor [Homo sapiens]" . . . . . 89.47 682 100.00 100.00 4.24e-01 . . . . 16851 2 19 no PRF 2208360B . "transcription factor ITF-2:ISOTYPE=B" . . . . . 89.47 670 100.00 100.00 1.23e+00 . . . . 16851 2 20 no REF NP_001071353 . "transcription factor 12 [Bos taurus]" . . . . . 89.47 682 100.00 100.00 4.20e-01 . . . . 16851 2 21 no REF NP_001077431 . "transcription factor 4 isoform a [Homo sapiens]" . . . . . 89.47 671 100.00 100.00 1.15e+00 . . . . 16851 2 22 no REF NP_001077436 . "transcription factor 4 isoform b [Mus musculus]" . . . . . 89.47 666 100.00 100.00 1.22e+00 . . . . 16851 2 23 no REF NP_001187118 . "E-box binding protein 2 [Ictalurus punctatus]" . . . . . 89.47 697 100.00 100.00 3.63e-01 . . . . 16851 2 24 no REF NP_001187247 . "E-box binding protein 1 [Ictalurus punctatus]" . . . . . 89.47 705 100.00 100.00 3.75e-01 . . . . 16851 2 25 no SP P15884 . "RecName: Full=Transcription factor 4; Short=TCF-4; AltName: Full=Class B basic helix-loop-helix protein 19; Short=bHLHb19; AltN" . . . . . 89.47 667 100.00 100.00 1.14e+00 . . . . 16851 2 26 no SP P51514 . "RecName: Full=Transcription factor 12; Short=TCF-12; AltName: Full=DNA-binding protein HTF4; AltName: Full=E-box-binding protei" . . . . . 89.47 707 100.00 100.00 4.20e-01 . . . . 16851 2 27 no SP Q60722 . "RecName: Full=Transcription factor 4; Short=TCF-4; AltName: Full=Class A helix-loop-helix transcription factor ME2; AltName: Fu" . . . . . 89.47 670 100.00 100.00 1.23e+00 . . . . 16851 2 28 no SP Q61286 . "RecName: Full=Transcription factor 12; Short=TCF-12; AltName: Full=Class A helix-loop-helix transcription factor ME1; AltName: " . . . . . 89.47 706 100.00 100.00 4.40e-01 . . . . 16851 2 29 no SP Q99081 . "RecName: Full=Transcription factor 12; Short=TCF-12; AltName: Full=Class B basic helix-loop-helix protein 20; Short=bHLHb20; Al" . . . . . 89.47 682 100.00 100.00 4.24e-01 . . . . 16851 2 30 no TPG DAA01129 . "TPA_exp: helix-loop-helix transcription factor 4 isoform c [Homo sapiens]" . . . . . 89.47 706 100.00 100.00 4.62e-01 . . . . 16851 2 31 no TPG DAA25320 . "TPA: transcription factor 12 [Bos taurus]" . . . . . 89.47 682 100.00 100.00 4.20e-01 . . . . 16851 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 88 GLY . 16851 2 2 89 SER . 16851 2 3 90 GLY . 16851 2 4 91 THR . 16851 2 5 92 ASP . 16851 2 6 93 LYS . 16851 2 7 94 GLU . 16851 2 8 95 LEU . 16851 2 9 96 SER . 16851 2 10 97 ASP . 16851 2 11 98 LEU . 16851 2 12 99 LEU . 16851 2 13 100 ASP . 16851 2 14 101 PHE . 16851 2 15 102 SER . 16851 2 16 103 ALA . 16851 2 17 104 MET . 16851 2 18 105 PHE . 16851 2 19 106 SER . 16851 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 . GLY 1 1 16851 2 . SER 2 2 16851 2 . GLY 3 3 16851 2 . THR 4 4 16851 2 . ASP 5 5 16851 2 . LYS 6 6 16851 2 . GLU 7 7 16851 2 . LEU 8 8 16851 2 . SER 9 9 16851 2 . ASP 10 10 16851 2 . LEU 11 11 16851 2 . LEU 12 12 16851 2 . ASP 13 13 16851 2 . PHE 14 14 16851 2 . SER 15 15 16851 2 . ALA 16 16 16851 2 . MET 17 17 16851 2 . PHE 18 18 16851 2 . SER 19 19 16851 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 16851 _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 $KIX . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16851 1 2 2 $ETAD1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16851 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 16851 _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 $KIX . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet21a(+) . . . . . . 16851 1 2 2 $ETAD1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-4T1 . . . . . . 16851 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_KIX_ETAD1_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_KIX_ETAD1_1 _Sample.Entry_ID 16851 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KIX 'natural abundance' . . 1 $KIX . . 1.2 . . mM . . . . 16851 1 2 ETAD1 '[U-13C; U-15N]' . . 2 $ETAD1 . . 0.6 . . mM . . . . 16851 1 3 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 16851 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16851 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 16851 1 stop_ save_ save_sample_KIX_ETAD1_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_KIX_ETAD1_2 _Sample.Entry_ID 16851 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KIX '[U-13C; U-15N]' . . 1 $KIX . . 0.6 . . mM . . . . 16851 2 2 ETAD1 'natural abundance' . . 2 $ETAD1 . . 1.2 . . mM . . . . 16851 2 3 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 16851 2 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16851 2 5 beta-mercaptoethanol 'natural abundance' . . . . . . 1 . . mM . . . . 16851 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_KIX_ETAD1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_KIX_ETAD1 _Sample_condition_list.Entry_ID 16851 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 16851 1 pH 6 . pH 16851 1 pressure 1 . atm 16851 1 temperature 298 . K 16851 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16851 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16851 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16851 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16851 _Software.ID 2 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16851 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16851 2 'structure solution' 16851 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16851 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16851 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16851 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16851 _Software.ID 4 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16851 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16851 4 'data analysis' 16851 4 'peak picking' 16851 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_NMR_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_NMR_600 _NMR_spectrometer.Entry_ID 16851 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Bruker_NMR_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_NMR_800 _NMR_spectrometer.Entry_ID 16851 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16851 _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 Varian_NMR_600 Varian INOVA . 600 . . . 16851 1 2 Bruker_NMR_800 Bruker Avance . 800 . . . 16851 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 16851 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_KIX_ETAD1_1 isotropic . . 1 $condition_KIX_ETAD1 . . . . . . . . . . . . . . . . . . . . . 16851 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_KIX_ETAD1_1 isotropic . . 1 $condition_KIX_ETAD1 . . . . . . . . . . . . . . . . . . . . . 16851 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_KIX_ETAD1_1 isotropic . . 1 $condition_KIX_ETAD1 . . . . . . . . . . . . . . . . . . . . . 16851 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_KIX_ETAD1_1 isotropic . . 1 $condition_KIX_ETAD1 . . . . . . . . . . . . . . . . . . . . . 16851 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_KIX_ETAD1_1 isotropic . . 1 $condition_KIX_ETAD1 . . . . . . . . . . . . . . . . . . . . . 16851 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_KIX_ETAD1_1 isotropic . . 1 $condition_KIX_ETAD1 . . . . . . . . . . . . . . . . . . . . . 16851 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_KIX_ETAD1_1 isotropic . . 1 $condition_KIX_ETAD1 . . . . . . . . . . . . . . . . . . . . . 16851 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_KIX_ETAD1_1 isotropic . . 1 $condition_KIX_ETAD1 . . . . . . . . . . . . . . . . . . . . . 16851 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_KIX_ETAD1_1 isotropic . . 1 $condition_KIX_ETAD1 . . . . . . . . . . . . . . . . . . . . . 16851 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_KIX_ETAD1_1 isotropic . . 1 $condition_KIX_ETAD1 . . . . . . . . . . . . . . . . . . . . . 16851 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16851 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16851 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 16851 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16851 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 16851 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_KIX_ETAD1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16851 1 2 '2D 1H-13C HSQC' . . . 16851 1 3 '3D CBCA(CO)NH' . . . 16851 1 4 '3D C(CO)NH' . . . 16851 1 5 '3D HNCO' . . . 16851 1 6 '3D HNCACB' . . . 16851 1 7 '3D HCCH-TOCSY' . . . 16851 1 8 '3D H(CCO)NH' . . . 16851 1 9 '3D 1H-13C NOESY' . . . 16851 1 10 '3D 1H-15N NOESY' . . . 16851 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $NMRView . . 16851 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 9.19 0.02 . 1 . . . . 1 GLY H . 16851 1 2 . 1 1 1 1 GLY HA2 H 1 3.89 0.02 . 2 . . . . 1 GLY HA2 . 16851 1 3 . 1 1 1 1 GLY C C 13 170.21 0.30 . 1 . . . . 1 GLY C . 16851 1 4 . 1 1 1 1 GLY CA C 13 43.48 0.30 . 1 . . . . 1 GLY CA . 16851 1 5 . 1 1 1 1 GLY N N 15 110.87 0.30 . 1 . . . . 1 GLY N . 16851 1 6 . 1 1 2 2 VAL H H 1 8.55 0.02 . 1 . . . . 2 VAL HN . 16851 1 7 . 1 1 2 2 VAL HA H 1 4.17 0.02 . 1 . . . . 2 VAL HA . 16851 1 8 . 1 1 2 2 VAL HB H 1 2.07 0.02 . 1 . . . . 2 VAL HB . 16851 1 9 . 1 1 2 2 VAL HG21 H 1 0.94 0.02 . 2 . . . . 2 VAL HG21 . 16851 1 10 . 1 1 2 2 VAL HG22 H 1 0.94 0.02 . 2 . . . . 2 VAL HG21 . 16851 1 11 . 1 1 2 2 VAL HG23 H 1 0.94 0.02 . 2 . . . . 2 VAL HG21 . 16851 1 12 . 1 1 2 2 VAL C C 13 175.88 0.30 . 1 . . . . 2 VAL C . 16851 1 13 . 1 1 2 2 VAL CA C 13 62.31 0.30 . 1 . . . . 2 VAL CA . 16851 1 14 . 1 1 2 2 VAL CB C 13 33.26 0.30 . 1 . . . . 2 VAL CB . 16851 1 15 . 1 1 2 2 VAL CG2 C 13 20.74 0.30 . 1 . . . . 2 VAL CG2 . 16851 1 16 . 1 1 2 2 VAL N N 15 119.40 0.30 . 1 . . . . 2 VAL N . 16851 1 17 . 1 1 3 3 ARG H H 1 8.57 0.02 . 1 . . . . 3 ARG HN . 16851 1 18 . 1 1 3 3 ARG HA H 1 4.41 0.02 . 1 . . . . 3 ARG HA . 16851 1 19 . 1 1 3 3 ARG HB2 H 1 1.79 0.02 . 2 . . . . 3 ARG HB2 . 16851 1 20 . 1 1 3 3 ARG HD2 H 1 3.19 0.02 . 2 . . . . 3 ARG HD2 . 16851 1 21 . 1 1 3 3 ARG HG2 H 1 1.55 0.02 . 2 . . . . 3 ARG HG1 . 16851 1 22 . 1 1 3 3 ARG HG3 H 1 1.69 0.02 . 2 . . . . 3 ARG HG2 . 16851 1 23 . 1 1 3 3 ARG C C 13 176.03 0.30 . 1 . . . . 3 ARG C . 16851 1 24 . 1 1 3 3 ARG CA C 13 56.59 0.30 . 1 . . . . 3 ARG CA . 16851 1 25 . 1 1 3 3 ARG CB C 13 30.94 0.30 . 1 . . . . 3 ARG CB . 16851 1 26 . 1 1 3 3 ARG CD C 13 43.25 0.30 . 1 . . . . 3 ARG CD . 16851 1 27 . 1 1 3 3 ARG CG C 13 27.14 0.30 . 1 . . . . 3 ARG CG . 16851 1 28 . 1 1 3 3 ARG N N 15 125.55 0.30 . 1 . . . . 3 ARG N . 16851 1 29 . 1 1 4 4 LYS H H 1 8.06 0.02 . 1 . . . . 4 LYS HN . 16851 1 30 . 1 1 4 4 LYS HA H 1 4.29 0.02 . 1 . . . . 4 LYS HA . 16851 1 31 . 1 1 4 4 LYS HB2 H 1 0.06 0.02 . 2 . . . . 4 LYS HB1 . 16851 1 32 . 1 1 4 4 LYS HB3 H 1 1.24 0.02 . 2 . . . . 4 LYS HB2 . 16851 1 33 . 1 1 4 4 LYS HD2 H 1 1.53 0.02 . 2 . . . . 4 LYS HD1 . 16851 1 34 . 1 1 4 4 LYS HD3 H 1 1.78 0.02 . 2 . . . . 4 LYS HD2 . 16851 1 35 . 1 1 4 4 LYS HE2 H 1 3.03 0.02 . 2 . . . . 4 LYS HE2 . 16851 1 36 . 1 1 4 4 LYS HG2 H 1 1.17 0.02 . 2 . . . . 4 LYS HG1 . 16851 1 37 . 1 1 4 4 LYS HG3 H 1 1.26 0.02 . 2 . . . . 4 LYS HG2 . 16851 1 38 . 1 1 4 4 LYS C C 13 177.65 0.30 . 1 . . . . 4 LYS C . 16851 1 39 . 1 1 4 4 LYS CA C 13 54.98 0.30 . 1 . . . . 4 LYS CA . 16851 1 40 . 1 1 4 4 LYS CB C 13 33.74 0.30 . 1 . . . . 4 LYS CB . 16851 1 41 . 1 1 4 4 LYS CD C 13 29.99 0.30 . 1 . . . . 4 LYS CD . 16851 1 42 . 1 1 4 4 LYS CE C 13 42.50 0.30 . 1 . . . . 4 LYS CE . 16851 1 43 . 1 1 4 4 LYS CG C 13 25.49 0.30 . 1 . . . . 4 LYS CG . 16851 1 44 . 1 1 4 4 LYS N N 15 123.14 0.30 . 1 . . . . 4 LYS N . 16851 1 45 . 1 1 5 5 GLY H H 1 8.79 0.02 . 1 . . . . 5 GLY HN . 16851 1 46 . 1 1 5 5 GLY HA2 H 1 3.73 0.02 . 2 . . . . 5 GLY HA1 . 16851 1 47 . 1 1 5 5 GLY HA3 H 1 3.96 0.02 . 2 . . . . 5 GLY HA2 . 16851 1 48 . 1 1 5 5 GLY C C 13 178.23 0.30 . 1 . . . . 5 GLY C . 16851 1 49 . 1 1 5 5 GLY CA C 13 47.67 0.30 . 1 . . . . 5 GLY CA . 16851 1 50 . 1 1 5 5 GLY N N 15 112.24 0.30 . 1 . . . . 5 GLY N . 16851 1 51 . 1 1 6 6 TRP H H 1 7.96 0.02 . 1 . . . . 6 TRP HN . 16851 1 52 . 1 1 6 6 TRP HA H 1 4.52 0.02 . 1 . . . . 6 TRP HA . 16851 1 53 . 1 1 6 6 TRP HB2 H 1 3.16 0.02 . 2 . . . . 6 TRP HB1 . 16851 1 54 . 1 1 6 6 TRP HB3 H 1 3.64 0.02 . 2 . . . . 6 TRP HB2 . 16851 1 55 . 1 1 6 6 TRP HD1 H 1 7.07 0.02 . 1 . . . . 6 TRP HD1 . 16851 1 56 . 1 1 6 6 TRP HE1 H 1 9.13 0.02 . 4 . . . . 6 TRP HE1 . 16851 1 57 . 1 1 6 6 TRP HE3 H 1 7.21 0.02 . 4 . . . . 6 TRP HE3 . 16851 1 58 . 1 1 6 6 TRP HH2 H 1 6.43 0.02 . 1 . . . . 6 TRP HH2 . 16851 1 59 . 1 1 6 6 TRP HZ2 H 1 7.60 0.02 . 4 . . . . 6 TRP HZ2 . 16851 1 60 . 1 1 6 6 TRP HZ3 H 1 6.49 0.02 . 4 . . . . 6 TRP HZ3 . 16851 1 61 . 1 1 6 6 TRP C C 13 177.72 0.30 . 1 . . . . 6 TRP C . 16851 1 62 . 1 1 6 6 TRP CA C 13 58.38 0.30 . 1 . . . . 6 TRP CA . 16851 1 63 . 1 1 6 6 TRP CB C 13 28.04 0.30 . 1 . . . . 6 TRP CB . 16851 1 64 . 1 1 6 6 TRP CD1 C 13 126.09 0.30 . 4 . . . . 6 TRP CD1 . 16851 1 65 . 1 1 6 6 TRP CE3 C 13 119.79 0.30 . 4 . . . . 6 TRP CE3 . 16851 1 66 . 1 1 6 6 TRP CH2 C 13 125.89 0.30 . 1 . . . . 6 TRP CH2 . 16851 1 67 . 1 1 6 6 TRP CZ2 C 13 115.95 0.30 . 4 . . . . 6 TRP CZ2 . 16851 1 68 . 1 1 6 6 TRP CZ3 C 13 121.01 0.30 . 4 . . . . 6 TRP CZ3 . 16851 1 69 . 1 1 6 6 TRP N N 15 118.29 0.30 . 1 . . . . 6 TRP N . 16851 1 70 . 1 1 6 6 TRP NE1 N 15 128.74 0.30 . 1 . . . . 6 TRP NE1 . 16851 1 71 . 1 1 7 7 HIS H H 1 6.95 0.02 . 1 . . . . 7 HIS HN . 16851 1 72 . 1 1 7 7 HIS HA H 1 3.53 0.02 . 1 . . . . 7 HIS HA . 16851 1 73 . 1 1 7 7 HIS HB2 H 1 2.92 0.02 . 2 . . . . 7 HIS HB2 . 16851 1 74 . 1 1 7 7 HIS C C 13 177.20 0.30 . 1 . . . . 7 HIS C . 16851 1 75 . 1 1 7 7 HIS CA C 13 56.76 0.30 . 1 . . . . 7 HIS CA . 16851 1 76 . 1 1 7 7 HIS CB C 13 29.90 0.30 . 1 . . . . 7 HIS CB . 16851 1 77 . 1 1 7 7 HIS N N 15 119.96 0.30 . 1 . . . . 7 HIS N . 16851 1 78 . 1 1 8 8 GLU H H 1 7.61 0.02 . 1 . . . . 8 GLU HN . 16851 1 79 . 1 1 8 8 GLU HA H 1 3.99 0.02 . 1 . . . . 8 GLU HA . 16851 1 80 . 1 1 8 8 GLU HB2 H 1 1.73 0.02 . 2 . . . . 8 GLU HB1 . 16851 1 81 . 1 1 8 8 GLU HB3 H 1 1.82 0.02 . 2 . . . . 8 GLU HB2 . 16851 1 82 . 1 1 8 8 GLU HG2 H 1 2.07 0.02 . 2 . . . . 8 GLU HG2 . 16851 1 83 . 1 1 8 8 GLU C C 13 176.71 0.30 . 1 . . . . 8 GLU C . 16851 1 84 . 1 1 8 8 GLU CA C 13 58.40 0.30 . 1 . . . . 8 GLU CA . 16851 1 85 . 1 1 8 8 GLU CB C 13 29.65 0.30 . 1 . . . . 8 GLU CB . 16851 1 86 . 1 1 8 8 GLU CG C 13 35.76 0.30 . 1 . . . . 8 GLU CG . 16851 1 87 . 1 1 8 8 GLU N N 15 116.13 0.30 . 1 . . . . 8 GLU N . 16851 1 88 . 1 1 9 9 HIS H H 1 7.57 0.02 . 1 . . . . 9 HIS HN . 16851 1 89 . 1 1 9 9 HIS HA H 1 4.90 0.02 . 1 . . . . 9 HIS HA . 16851 1 90 . 1 1 9 9 HIS HB2 H 1 3.27 0.02 . 2 . . . . 9 HIS HB1 . 16851 1 91 . 1 1 9 9 HIS HB3 H 1 3.64 0.02 . 2 . . . . 9 HIS HB2 . 16851 1 92 . 1 1 9 9 HIS HD2 H 1 7.18 0.02 . 4 . . . . 9 HIS HD2 . 16851 1 93 . 1 1 9 9 HIS C C 13 174.71 0.30 . 1 . . . . 9 HIS C . 16851 1 94 . 1 1 9 9 HIS CA C 13 55.25 0.30 . 1 . . . . 9 HIS CA . 16851 1 95 . 1 1 9 9 HIS CB C 13 30.74 0.30 . 1 . . . . 9 HIS CB . 16851 1 96 . 1 1 9 9 HIS N N 15 113.75 0.30 . 1 . . . . 9 HIS N . 16851 1 97 . 1 1 10 10 VAL H H 1 7.53 0.02 . 1 . . . . 10 VAL HN . 16851 1 98 . 1 1 10 10 VAL HA H 1 4.57 0.02 . 1 . . . . 10 VAL HA . 16851 1 99 . 1 1 10 10 VAL HB H 1 2.28 0.02 . 1 . . . . 10 VAL HB . 16851 1 100 . 1 1 10 10 VAL HG11 H 1 1.30 0.02 . 2 . . . . 10 VAL HG11 . 16851 1 101 . 1 1 10 10 VAL HG12 H 1 1.30 0.02 . 2 . . . . 10 VAL HG11 . 16851 1 102 . 1 1 10 10 VAL HG13 H 1 1.30 0.02 . 2 . . . . 10 VAL HG11 . 16851 1 103 . 1 1 10 10 VAL HG21 H 1 1.22 0.02 . 2 . . . . 10 VAL HG21 . 16851 1 104 . 1 1 10 10 VAL HG22 H 1 1.22 0.02 . 2 . . . . 10 VAL HG21 . 16851 1 105 . 1 1 10 10 VAL HG23 H 1 1.22 0.02 . 2 . . . . 10 VAL HG21 . 16851 1 106 . 1 1 10 10 VAL C C 13 174.50 0.30 . 1 . . . . 10 VAL C . 16851 1 107 . 1 1 10 10 VAL CA C 13 62.00 0.30 . 1 . . . . 10 VAL CA . 16851 1 108 . 1 1 10 10 VAL CB C 13 33.53 0.30 . 1 . . . . 10 VAL CB . 16851 1 109 . 1 1 10 10 VAL CG1 C 13 21.49 0.30 . 1 . . . . 10 VAL CG1 . 16851 1 110 . 1 1 10 10 VAL CG2 C 13 22.24 0.30 . 1 . . . . 10 VAL CG2 . 16851 1 111 . 1 1 10 10 VAL N N 15 120.32 0.30 . 1 . . . . 10 VAL N . 16851 1 112 . 1 1 11 11 THR H H 1 7.63 0.02 . 1 . . . . 11 THR HN . 16851 1 113 . 1 1 11 11 THR HA H 1 4.61 0.02 . 1 . . . . 11 THR HA . 16851 1 114 . 1 1 11 11 THR HB H 1 4.72 0.02 . 1 . . . . 11 THR HB . 16851 1 115 . 1 1 11 11 THR HG21 H 1 1.36 0.02 . 1 . . . . 11 THR HG21 . 16851 1 116 . 1 1 11 11 THR HG22 H 1 1.36 0.02 . 1 . . . . 11 THR HG21 . 16851 1 117 . 1 1 11 11 THR HG23 H 1 1.36 0.02 . 1 . . . . 11 THR HG21 . 16851 1 118 . 1 1 11 11 THR C C 13 175.49 0.30 . 1 . . . . 11 THR C . 16851 1 119 . 1 1 11 11 THR CA C 13 60.39 0.30 . 1 . . . . 11 THR CA . 16851 1 120 . 1 1 11 11 THR CB C 13 71.51 0.30 . 1 . . . . 11 THR CB . 16851 1 121 . 1 1 11 11 THR CG2 C 13 21.99 0.30 . 1 . . . . 11 THR CG2 . 16851 1 122 . 1 1 11 11 THR N N 15 115.39 0.30 . 1 . . . . 11 THR N . 16851 1 123 . 1 1 12 12 GLN H H 1 8.96 0.02 . 1 . . . . 12 GLN HN . 16851 1 124 . 1 1 12 12 GLN HA H 1 3.83 0.02 . 1 . . . . 12 GLN HA . 16851 1 125 . 1 1 12 12 GLN HB2 H 1 2.07 0.02 . 2 . . . . 12 GLN HB1 . 16851 1 126 . 1 1 12 12 GLN HB3 H 1 2.14 0.02 . 2 . . . . 12 GLN HB2 . 16851 1 127 . 1 1 12 12 GLN HE21 H 1 6.71 0.02 . 2 . . . . 12 GLN HE21 . 16851 1 128 . 1 1 12 12 GLN HE22 H 1 7.42 0.02 . 2 . . . . 12 GLN HE22 . 16851 1 129 . 1 1 12 12 GLN HG2 H 1 2.39 0.02 . 2 . . . . 12 GLN HG2 . 16851 1 130 . 1 1 12 12 GLN C C 13 177.99 0.30 . 1 . . . . 12 GLN C . 16851 1 131 . 1 1 12 12 GLN CA C 13 58.50 0.30 . 1 . . . . 12 GLN CA . 16851 1 132 . 1 1 12 12 GLN CB C 13 27.99 0.30 . 1 . . . . 12 GLN CB . 16851 1 133 . 1 1 12 12 GLN CG C 13 33.49 0.30 . 1 . . . . 12 GLN CG . 16851 1 134 . 1 1 12 12 GLN N N 15 120.36 0.30 . 1 . . . . 12 GLN N . 16851 1 135 . 1 1 12 12 GLN NE2 N 15 112.72 0.30 . 1 . . . . 12 GLN NE2 . 16851 1 136 . 1 1 13 13 ASP H H 1 8.42 0.02 . 1 . . . . 13 ASP HN . 16851 1 137 . 1 1 13 13 ASP HA H 1 4.36 0.02 . 1 . . . . 13 ASP HA . 16851 1 138 . 1 1 13 13 ASP HB2 H 1 2.58 0.02 . 2 . . . . 13 ASP HB1 . 16851 1 139 . 1 1 13 13 ASP HB3 H 1 2.62 0.02 . 2 . . . . 13 ASP HB2 . 16851 1 140 . 1 1 13 13 ASP C C 13 178.45 0.30 . 1 . . . . 13 ASP C . 16851 1 141 . 1 1 13 13 ASP CA C 13 57.28 0.30 . 1 . . . . 13 ASP CA . 16851 1 142 . 1 1 13 13 ASP CB C 13 40.24 0.30 . 1 . . . . 13 ASP CB . 16851 1 143 . 1 1 13 13 ASP N N 15 117.74 0.30 . 1 . . . . 13 ASP N . 16851 1 144 . 1 1 14 14 LEU H H 1 7.70 0.02 . 1 . . . . 14 LEU HN . 16851 1 145 . 1 1 14 14 LEU HA H 1 4.30 0.02 . 1 . . . . 14 LEU HA . 16851 1 146 . 1 1 14 14 LEU HB2 H 1 1.90 0.02 . 2 . . . . 14 LEU HB1 . 16851 1 147 . 1 1 14 14 LEU HB3 H 1 2.07 0.02 . 2 . . . . 14 LEU HB2 . 16851 1 148 . 1 1 14 14 LEU HD11 H 1 1.24 0.02 . 2 . . . . 14 LEU HD11 . 16851 1 149 . 1 1 14 14 LEU HD12 H 1 1.24 0.02 . 2 . . . . 14 LEU HD11 . 16851 1 150 . 1 1 14 14 LEU HD13 H 1 1.24 0.02 . 2 . . . . 14 LEU HD11 . 16851 1 151 . 1 1 14 14 LEU HD21 H 1 1.31 0.02 . 2 . . . . 14 LEU HD21 . 16851 1 152 . 1 1 14 14 LEU HD22 H 1 1.31 0.02 . 2 . . . . 14 LEU HD21 . 16851 1 153 . 1 1 14 14 LEU HD23 H 1 1.31 0.02 . 2 . . . . 14 LEU HD21 . 16851 1 154 . 1 1 14 14 LEU HG H 1 1.93 0.02 . 1 . . . . 14 LEU HG . 16851 1 155 . 1 1 14 14 LEU C C 13 178.97 0.30 . 1 . . . . 14 LEU C . 16851 1 156 . 1 1 14 14 LEU CA C 13 58.45 0.30 . 1 . . . . 14 LEU CA . 16851 1 157 . 1 1 14 14 LEU CB C 13 41.81 0.30 . 1 . . . . 14 LEU CB . 16851 1 158 . 1 1 14 14 LEU CD1 C 13 24.24 0.30 . 1 . . . . 14 LEU CD1 . 16851 1 159 . 1 1 14 14 LEU CD2 C 13 25.04 0.30 . 1 . . . . 14 LEU CD2 . 16851 1 160 . 1 1 14 14 LEU CG C 13 27.49 0.30 . 1 . . . . 14 LEU CG . 16851 1 161 . 1 1 14 14 LEU N N 15 122.89 0.30 . 1 . . . . 14 LEU N . 16851 1 162 . 1 1 15 15 ARG H H 1 7.84 0.02 . 1 . . . . 15 ARG HN . 16851 1 163 . 1 1 15 15 ARG HA H 1 4.05 0.02 . 1 . . . . 15 ARG HA . 16851 1 164 . 1 1 15 15 ARG HB2 H 1 1.63 0.02 . 2 . . . . 15 ARG HB1 . 16851 1 165 . 1 1 15 15 ARG HB3 H 1 1.87 0.02 . 2 . . . . 15 ARG HB2 . 16851 1 166 . 1 1 15 15 ARG HD2 H 1 2.38 0.02 . 2 . . . . 15 ARG HD2 . 16851 1 167 . 1 1 15 15 ARG HE H 1 9.20 0.02 . 1 . . . . 15 ARG HE . 16851 1 168 . 1 1 15 15 ARG C C 13 179.10 0.30 . 1 . . . . 15 ARG C . 16851 1 169 . 1 1 15 15 ARG CA C 13 60.82 0.30 . 1 . . . . 15 ARG CA . 16851 1 170 . 1 1 15 15 ARG CB C 13 30.74 0.30 . 1 . . . . 15 ARG CB . 16851 1 171 . 1 1 15 15 ARG N N 15 117.91 0.30 . 1 . . . . 15 ARG N . 16851 1 172 . 1 1 15 15 ARG NE N 15 85.992 0.30 . 1 . . . . 15 ARG NE . 16851 1 173 . 1 1 16 16 SER H H 1 8.49 0.02 . 1 . . . . 16 SER HN . 16851 1 174 . 1 1 16 16 SER HA H 1 4.11 0.02 . 1 . . . . 16 SER HA . 16851 1 175 . 1 1 16 16 SER HB2 H 1 3.98 0.02 . 2 . . . . 16 SER HB2 . 16851 1 176 . 1 1 16 16 SER C C 13 177.28 0.30 . 1 . . . . 16 SER C . 16851 1 177 . 1 1 16 16 SER CA C 13 61.86 0.30 . 1 . . . . 16 SER CA . 16851 1 178 . 1 1 16 16 SER CB C 13 63.08 0.30 . 1 . . . . 16 SER CB . 16851 1 179 . 1 1 16 16 SER N N 15 112.67 0.30 . 1 . . . . 16 SER N . 16851 1 180 . 1 1 17 17 HIS H H 1 8.00 0.02 . 1 . . . . 17 HIS HN . 16851 1 181 . 1 1 17 17 HIS HA H 1 4.50 0.02 . 1 . . . . 17 HIS HA . 16851 1 182 . 1 1 17 17 HIS HB2 H 1 3.37 0.02 . 2 . . . . 17 HIS HB1 . 16851 1 183 . 1 1 17 17 HIS HB3 H 1 3.53 0.02 . 2 . . . . 17 HIS HB2 . 16851 1 184 . 1 1 17 17 HIS HD2 H 1 6.97 0.02 . 4 . . . . 17 HIS HD2 . 16851 1 185 . 1 1 17 17 HIS C C 13 179.27 0.30 . 1 . . . . 17 HIS C . 16851 1 186 . 1 1 17 17 HIS CA C 13 59.66 0.30 . 1 . . . . 17 HIS CA . 16851 1 187 . 1 1 17 17 HIS CB C 13 29.49 0.30 . 1 . . . . 17 HIS CB . 16851 1 188 . 1 1 17 17 HIS CD2 C 13 119.59 0.30 . 1 . . . . 17 HIS CD2 . 16851 1 189 . 1 1 17 17 HIS N N 15 122.27 0.30 . 1 . . . . 17 HIS N . 16851 1 190 . 1 1 18 18 LEU H H 1 8.18 0.02 . 1 . . . . 18 LEU HN . 16851 1 191 . 1 1 18 18 LEU HA H 1 4.03 0.02 . 1 . . . . 18 LEU HA . 16851 1 192 . 1 1 18 18 LEU HB2 H 1 1.39 0.02 . 2 . . . . 18 LEU HB1 . 16851 1 193 . 1 1 18 18 LEU HB3 H 1 2.21 0.02 . 2 . . . . 18 LEU HB2 . 16851 1 194 . 1 1 18 18 LEU HD11 H 1 0.81 0.02 . 2 . . . . 18 LEU HD11 . 16851 1 195 . 1 1 18 18 LEU HD12 H 1 0.81 0.02 . 2 . . . . 18 LEU HD11 . 16851 1 196 . 1 1 18 18 LEU HD13 H 1 0.81 0.02 . 2 . . . . 18 LEU HD11 . 16851 1 197 . 1 1 18 18 LEU HD21 H 1 1.01 0.02 . 2 . . . . 18 LEU HD21 . 16851 1 198 . 1 1 18 18 LEU HD22 H 1 1.01 0.02 . 2 . . . . 18 LEU HD21 . 16851 1 199 . 1 1 18 18 LEU HD23 H 1 1.01 0.02 . 2 . . . . 18 LEU HD21 . 16851 1 200 . 1 1 18 18 LEU HG H 1 2.02 0.02 . 1 . . . . 18 LEU HG . 16851 1 201 . 1 1 18 18 LEU C C 13 179.33 0.30 . 1 . . . . 18 LEU C . 16851 1 202 . 1 1 18 18 LEU CA C 13 58.47 0.30 . 1 . . . . 18 LEU CA . 16851 1 203 . 1 1 18 18 LEU CB C 13 40.26 0.30 . 1 . . . . 18 LEU CB . 16851 1 204 . 1 1 18 18 LEU CD1 C 13 22.74 0.30 . 1 . . . . 18 LEU CD1 . 16851 1 205 . 1 1 18 18 LEU CD2 C 13 25.74 0.30 . 1 . . . . 18 LEU CD2 . 16851 1 206 . 1 1 18 18 LEU CG C 13 27.49 0.30 . 1 . . . . 18 LEU CG . 16851 1 207 . 1 1 18 18 LEU N N 15 121.48 0.30 . 1 . . . . 18 LEU N . 16851 1 208 . 1 1 19 19 VAL H H 1 8.48 0.02 . 1 . . . . 19 VAL HN . 16851 1 209 . 1 1 19 19 VAL HA H 1 3.48 0.02 . 1 . . . . 19 VAL HA . 16851 1 210 . 1 1 19 19 VAL HB H 1 2.26 0.02 . 1 . . . . 19 VAL HB . 16851 1 211 . 1 1 19 19 VAL HG11 H 1 0.85 0.02 . 2 . . . . 19 VAL HG11 . 16851 1 212 . 1 1 19 19 VAL HG12 H 1 0.85 0.02 . 2 . . . . 19 VAL HG11 . 16851 1 213 . 1 1 19 19 VAL HG13 H 1 0.85 0.02 . 2 . . . . 19 VAL HG11 . 16851 1 214 . 1 1 19 19 VAL HG21 H 1 1.06 0.02 . 2 . . . . 19 VAL HG21 . 16851 1 215 . 1 1 19 19 VAL HG22 H 1 1.06 0.02 . 2 . . . . 19 VAL HG21 . 16851 1 216 . 1 1 19 19 VAL HG23 H 1 1.06 0.02 . 2 . . . . 19 VAL HG21 . 16851 1 217 . 1 1 19 19 VAL C C 13 178.25 0.30 . 1 . . . . 19 VAL C . 16851 1 218 . 1 1 19 19 VAL CA C 13 67.94 0.30 . 1 . . . . 19 VAL CA . 16851 1 219 . 1 1 19 19 VAL CB C 13 31.68 0.30 . 1 . . . . 19 VAL CB . 16851 1 220 . 1 1 19 19 VAL CG1 C 13 21.57 0.30 . 1 . . . . 19 VAL CG1 . 16851 1 221 . 1 1 19 19 VAL CG2 C 13 23.74 0.30 . 1 . . . . 19 VAL CG2 . 16851 1 222 . 1 1 19 19 VAL N N 15 120.02 0.30 . 1 . . . . 19 VAL N . 16851 1 223 . 1 1 20 20 HIS H H 1 7.99 0.02 . 1 . . . . 20 HIS HN . 16851 1 224 . 1 1 20 20 HIS HA H 1 4.28 0.02 . 1 . . . . 20 HIS HA . 16851 1 225 . 1 1 20 20 HIS HB2 H 1 3.27 0.02 . 2 . . . . 20 HIS HB1 . 16851 1 226 . 1 1 20 20 HIS HB3 H 1 3.37 0.02 . 2 . . . . 20 HIS HB2 . 16851 1 227 . 1 1 20 20 HIS HD2 H 1 7.02 0.02 . 4 . . . . 20 HIS HD2 . 16851 1 228 . 1 1 20 20 HIS C C 13 177.19 0.30 . 1 . . . . 20 HIS C . 16851 1 229 . 1 1 20 20 HIS CA C 13 59.66 0.30 . 1 . . . . 20 HIS CA . 16851 1 230 . 1 1 20 20 HIS CB C 13 28.76 0.30 . 1 . . . . 20 HIS CB . 16851 1 231 . 1 1 20 20 HIS N N 15 117.23 0.30 . 1 . . . . 20 HIS N . 16851 1 232 . 1 1 21 21 LYS H H 1 8.06 0.02 . 1 . . . . 21 LYS HN . 16851 1 233 . 1 1 21 21 LYS HA H 1 4.02 0.02 . 1 . . . . 21 LYS HA . 16851 1 234 . 1 1 21 21 LYS HB2 H 1 1.79 0.02 . 2 . . . . 21 LYS HB2 . 16851 1 235 . 1 1 21 21 LYS C C 13 177.61 0.30 . 1 . . . . 21 LYS C . 16851 1 236 . 1 1 21 21 LYS CA C 13 58.27 0.30 . 1 . . . . 21 LYS CA . 16851 1 237 . 1 1 21 21 LYS CB C 13 32.14 0.30 . 1 . . . . 21 LYS CB . 16851 1 238 . 1 1 21 21 LYS N N 15 119.15 0.30 . 1 . . . . 21 LYS N . 16851 1 239 . 1 1 22 22 LEU H H 1 7.87 0.02 . 1 . . . . 22 LEU HN . 16851 1 240 . 1 1 22 22 LEU HA H 1 4.00 0.02 . 1 . . . . 22 LEU HA . 16851 1 241 . 1 1 22 22 LEU HB2 H 1 1.36 0.02 . 2 . . . . 22 LEU HB1 . 16851 1 242 . 1 1 22 22 LEU HB3 H 1 2.29 0.02 . 2 . . . . 22 LEU HB2 . 16851 1 243 . 1 1 22 22 LEU HD11 H 1 0.82 0.02 . 2 . . . . 22 LEU HD11 . 16851 1 244 . 1 1 22 22 LEU HD12 H 1 0.82 0.02 . 2 . . . . 22 LEU HD11 . 16851 1 245 . 1 1 22 22 LEU HD13 H 1 0.82 0.02 . 2 . . . . 22 LEU HD11 . 16851 1 246 . 1 1 22 22 LEU HD21 H 1 0.93 0.02 . 2 . . . . 22 LEU HD21 . 16851 1 247 . 1 1 22 22 LEU HD22 H 1 0.93 0.02 . 2 . . . . 22 LEU HD21 . 16851 1 248 . 1 1 22 22 LEU HD23 H 1 0.93 0.02 . 2 . . . . 22 LEU HD21 . 16851 1 249 . 1 1 22 22 LEU HG H 1 1.69 0.02 . 1 . . . . 22 LEU HG . 16851 1 250 . 1 1 22 22 LEU C C 13 178.03 0.30 . 1 . . . . 22 LEU C . 16851 1 251 . 1 1 22 22 LEU CA C 13 58.84 0.30 . 1 . . . . 22 LEU CA . 16851 1 252 . 1 1 22 22 LEU CB C 13 43.09 0.30 . 1 . . . . 22 LEU CB . 16851 1 253 . 1 1 22 22 LEU CD1 C 13 24.51 0.30 . 1 . . . . 22 LEU CD1 . 16851 1 254 . 1 1 22 22 LEU CD2 C 13 26.49 0.30 . 1 . . . . 22 LEU CD2 . 16851 1 255 . 1 1 22 22 LEU CG C 13 27.96 0.30 . 1 . . . . 22 LEU CG . 16851 1 256 . 1 1 22 22 LEU N N 15 121.02 0.30 . 1 . . . . 22 LEU N . 16851 1 257 . 1 1 23 23 VAL H H 1 8.13 0.02 . 1 . . . . 23 VAL HN . 16851 1 258 . 1 1 23 23 VAL HA H 1 3.39 0.02 . 1 . . . . 23 VAL HA . 16851 1 259 . 1 1 23 23 VAL HB H 1 2.26 0.02 . 1 . . . . 23 VAL HB . 16851 1 260 . 1 1 23 23 VAL HG11 H 1 0.92 0.02 . 2 . . . . 23 VAL HG11 . 16851 1 261 . 1 1 23 23 VAL HG12 H 1 0.92 0.02 . 2 . . . . 23 VAL HG11 . 16851 1 262 . 1 1 23 23 VAL HG13 H 1 0.92 0.02 . 2 . . . . 23 VAL HG11 . 16851 1 263 . 1 1 23 23 VAL HG21 H 1 1.03 0.02 . 2 . . . . 23 VAL HG21 . 16851 1 264 . 1 1 23 23 VAL HG22 H 1 1.03 0.02 . 2 . . . . 23 VAL HG21 . 16851 1 265 . 1 1 23 23 VAL HG23 H 1 1.03 0.02 . 2 . . . . 23 VAL HG21 . 16851 1 266 . 1 1 23 23 VAL C C 13 177.67 0.30 . 1 . . . . 23 VAL C . 16851 1 267 . 1 1 23 23 VAL CA C 13 67.72 0.30 . 1 . . . . 23 VAL CA . 16851 1 268 . 1 1 23 23 VAL CB C 13 31.49 0.30 . 1 . . . . 23 VAL CB . 16851 1 269 . 1 1 23 23 VAL CG1 C 13 20.99 0.30 . 1 . . . . 23 VAL CG1 . 16851 1 270 . 1 1 23 23 VAL CG2 C 13 23.99 0.30 . 1 . . . . 23 VAL CG2 . 16851 1 271 . 1 1 23 23 VAL N N 15 118.81 0.30 . 1 . . . . 23 VAL N . 16851 1 272 . 1 1 24 24 GLN H H 1 8.13 0.02 . 1 . . . . 24 GLN HN . 16851 1 273 . 1 1 24 24 GLN HA H 1 3.92 0.02 . 1 . . . . 24 GLN HA . 16851 1 274 . 1 1 24 24 GLN HB2 H 1 1.98 0.02 . 2 . . . . 24 GLN HB2 . 16851 1 275 . 1 1 24 24 GLN HE21 H 1 6.84 0.02 . 2 . . . . 24 GLN HE21 . 16851 1 276 . 1 1 24 24 GLN HE22 H 1 7.41 0.02 . 2 . . . . 24 GLN HE22 . 16851 1 277 . 1 1 24 24 GLN HG2 H 1 2.27 0.02 . 2 . . . . 24 GLN HG2 . 16851 1 278 . 1 1 24 24 GLN C C 13 176.86 0.30 . 1 . . . . 24 GLN C . 16851 1 279 . 1 1 24 24 GLN CA C 13 58.01 0.30 . 1 . . . . 24 GLN CA . 16851 1 280 . 1 1 24 24 GLN CB C 13 29.32 0.30 . 1 . . . . 24 GLN CB . 16851 1 281 . 1 1 24 24 GLN CG C 13 34.24 0.30 . 1 . . . . 24 GLN CG . 16851 1 282 . 1 1 24 24 GLN N N 15 116.07 0.30 . 1 . . . . 24 GLN N . 16851 1 283 . 1 1 24 24 GLN NE2 N 15 111.48 0.30 . 1 . . . . 24 GLN NE2 . 16851 1 284 . 1 1 25 25 ALA H H 1 7.54 0.02 . 1 . . . . 25 ALA HN . 16851 1 285 . 1 1 25 25 ALA HA H 1 4.11 0.02 . 1 . . . . 25 ALA HA . 16851 1 286 . 1 1 25 25 ALA HB1 H 1 1.56 0.02 . 1 . . . . 25 ALA HB1 . 16851 1 287 . 1 1 25 25 ALA HB2 H 1 1.56 0.02 . 1 . . . . 25 ALA HB1 . 16851 1 288 . 1 1 25 25 ALA HB3 H 1 1.56 0.02 . 1 . . . . 25 ALA HB1 . 16851 1 289 . 1 1 25 25 ALA C C 13 177.78 0.30 . 1 . . . . 25 ALA C . 16851 1 290 . 1 1 25 25 ALA CA C 13 54.12 0.30 . 1 . . . . 25 ALA CA . 16851 1 291 . 1 1 25 25 ALA CB C 13 18.99 0.30 . 1 . . . . 25 ALA CB . 16851 1 292 . 1 1 25 25 ALA N N 15 119.70 0.30 . 1 . . . . 25 ALA N . 16851 1 293 . 1 1 26 26 ILE H H 1 7.37 0.02 . 1 . . . . 26 ILE HN . 16851 1 294 . 1 1 26 26 ILE HA H 1 3.56 0.02 . 1 . . . . 26 ILE HA . 16851 1 295 . 1 1 26 26 ILE HB H 1 1.87 0.02 . 1 . . . . 26 ILE HB . 16851 1 296 . 1 1 26 26 ILE HD11 H 1 0.92 0.02 . 1 . . . . 26 ILE HD11 . 16851 1 297 . 1 1 26 26 ILE HD12 H 1 0.92 0.02 . 1 . . . . 26 ILE HD11 . 16851 1 298 . 1 1 26 26 ILE HD13 H 1 0.92 0.02 . 1 . . . . 26 ILE HD11 . 16851 1 299 . 1 1 26 26 ILE HG12 H 1 1.14 0.02 . 1 . . . . 26 ILE HG11 . 16851 1 300 . 1 1 26 26 ILE HG13 H 1 1.22 0.02 . 1 . . . . 26 ILE HG12 . 16851 1 301 . 1 1 26 26 ILE HG21 H 1 0.89 0.02 . 1 . . . . 26 ILE HG21 . 16851 1 302 . 1 1 26 26 ILE HG22 H 1 0.89 0.02 . 1 . . . . 26 ILE HG21 . 16851 1 303 . 1 1 26 26 ILE HG23 H 1 0.89 0.02 . 1 . . . . 26 ILE HG21 . 16851 1 304 . 1 1 26 26 ILE C C 13 175.19 0.30 . 1 . . . . 26 ILE C . 16851 1 305 . 1 1 26 26 ILE CA C 13 63.75 0.30 . 1 . . . . 26 ILE CA . 16851 1 306 . 1 1 26 26 ILE CB C 13 39.16 0.30 . 1 . . . . 26 ILE CB . 16851 1 307 . 1 1 26 26 ILE CD1 C 13 14.23 0.30 . 1 . . . . 26 ILE CD1 . 16851 1 308 . 1 1 26 26 ILE CG1 C 13 26.74 0.30 . 1 . . . . 26 ILE CG1 . 16851 1 309 . 1 1 26 26 ILE CG2 C 13 18.49 0.30 . 1 . . . . 26 ILE CG2 . 16851 1 310 . 1 1 26 26 ILE N N 15 114.18 0.30 . 1 . . . . 26 ILE N . 16851 1 311 . 1 1 27 27 PHE H H 1 8.26 0.02 . 1 . . . . 27 PHE HN . 16851 1 312 . 1 1 27 27 PHE HA H 1 4.84 0.02 . 1 . . . . 27 PHE HA . 16851 1 313 . 1 1 27 27 PHE HB2 H 1 2.42 0.02 . 2 . . . . 27 PHE HB1 . 16851 1 314 . 1 1 27 27 PHE HB3 H 1 3.45 0.02 . 2 . . . . 27 PHE HB2 . 16851 1 315 . 1 1 27 27 PHE HD1 H 1 6.93 0.02 . 3 . . . . 27 PHE HD1 . 16851 1 316 . 1 1 27 27 PHE HE1 H 1 6.76 0.02 . 3 . . . . 27 PHE HE1 . 16851 1 317 . 1 1 27 27 PHE HZ H 1 6.54 0.02 . 1 . . . . 27 PHE HZ . 16851 1 318 . 1 1 27 27 PHE CA C 13 53.91 0.30 . 1 . . . . 27 PHE CA . 16851 1 319 . 1 1 27 27 PHE CB C 13 40.72 0.30 . 1 . . . . 27 PHE CB . 16851 1 320 . 1 1 27 27 PHE CD1 C 13 129.95 0.30 . 3 . . . . 27 PHE CD1 . 16851 1 321 . 1 1 27 27 PHE CE1 C 13 131.17 0.30 . 3 . . . . 27 PHE CE1 . 16851 1 322 . 1 1 27 27 PHE CZ C 13 128.73 0.30 . 1 . . . . 27 PHE CZ . 16851 1 323 . 1 1 27 27 PHE N N 15 117.49 0.30 . 1 . . . . 27 PHE N . 16851 1 324 . 1 1 28 28 PRO HA H 1 4.65 0.02 . 1 . . . . 28 PRO HA . 16851 1 325 . 1 1 28 28 PRO HB2 H 1 1.98 0.02 . 2 . . . . 28 PRO HB1 . 16851 1 326 . 1 1 28 28 PRO HB3 H 1 2.36 0.02 . 2 . . . . 28 PRO HB2 . 16851 1 327 . 1 1 28 28 PRO HD2 H 1 3.35 0.02 . 2 . . . . 28 PRO HD1 . 16851 1 328 . 1 1 28 28 PRO HD3 H 1 3.53 0.02 . 2 . . . . 28 PRO HD2 . 16851 1 329 . 1 1 28 28 PRO HG2 H 1 1.94 0.02 . 2 . . . . 28 PRO HG1 . 16851 1 330 . 1 1 28 28 PRO HG3 H 1 2.05 0.02 . 2 . . . . 28 PRO HG2 . 16851 1 331 . 1 1 28 28 PRO C C 13 178.00 0.30 . 1 . . . . 28 PRO C . 16851 1 332 . 1 1 28 28 PRO CA C 13 65.12 0.30 . 1 . . . . 28 PRO CA . 16851 1 333 . 1 1 28 28 PRO CB C 13 32.18 0.30 . 1 . . . . 28 PRO CB . 16851 1 334 . 1 1 28 28 PRO CD C 13 49.99 0.30 . 1 . . . . 28 PRO CD . 16851 1 335 . 1 1 28 28 PRO CG C 13 27.00 0.30 . 1 . . . . 28 PRO CG . 16851 1 336 . 1 1 29 29 THR H H 1 7.95 0.02 . 1 . . . . 29 THR HN . 16851 1 337 . 1 1 29 29 THR HA H 1 4.49 0.02 . 1 . . . . 29 THR HA . 16851 1 338 . 1 1 29 29 THR HB H 1 4.09 0.02 . 1 . . . . 29 THR HB . 16851 1 339 . 1 1 29 29 THR HG21 H 1 1.06 0.02 . 1 . . . . 29 THR HG21 . 16851 1 340 . 1 1 29 29 THR HG22 H 1 1.06 0.02 . 1 . . . . 29 THR HG21 . 16851 1 341 . 1 1 29 29 THR HG23 H 1 1.06 0.02 . 1 . . . . 29 THR HG21 . 16851 1 342 . 1 1 29 29 THR CA C 13 58.55 0.30 . 1 . . . . 29 THR CA . 16851 1 343 . 1 1 29 29 THR CB C 13 69.97 0.30 . 1 . . . . 29 THR CB . 16851 1 344 . 1 1 29 29 THR CG2 C 13 21.24 0.30 . 1 . . . . 29 THR CG2 . 16851 1 345 . 1 1 29 29 THR N N 15 111.84 0.30 . 1 . . . . 29 THR N . 16851 1 346 . 1 1 30 30 PRO HA H 1 4.02 0.02 . 1 . . . . 30 PRO HA . 16851 1 347 . 1 1 30 30 PRO HB2 H 1 1.59 0.02 . 2 . . . . 30 PRO HB2 . 16851 1 348 . 1 1 30 30 PRO HD2 H 1 3.52 0.02 . 2 . . . . 30 PRO HD2 . 16851 1 349 . 1 1 30 30 PRO HG2 H 1 1.79 0.02 . 2 . . . . 30 PRO HG2 . 16851 1 350 . 1 1 30 30 PRO C C 13 175.90 0.30 . 1 . . . . 30 PRO C . 16851 1 351 . 1 1 30 30 PRO CA C 13 63.00 0.30 . 1 . . . . 30 PRO CA . 16851 1 352 . 1 1 30 30 PRO CB C 13 31.24 0.30 . 1 . . . . 30 PRO CB . 16851 1 353 . 1 1 30 30 PRO CD C 13 50.25 0.30 . 1 . . . . 30 PRO CD . 16851 1 354 . 1 1 30 30 PRO CG C 13 26.90 0.30 . 1 . . . . 30 PRO CG . 16851 1 355 . 1 1 31 31 ASP H H 1 7.58 0.02 . 1 . . . . 31 ASP HN . 16851 1 356 . 1 1 31 31 ASP HA H 1 4.82 0.02 . 1 . . . . 31 ASP HA . 16851 1 357 . 1 1 31 31 ASP HB2 H 1 2.68 0.02 . 2 . . . . 31 ASP HB1 . 16851 1 358 . 1 1 31 31 ASP HB3 H 1 2.81 0.02 . 2 . . . . 31 ASP HB2 . 16851 1 359 . 1 1 31 31 ASP CA C 13 51.75 0.30 . 1 . . . . 31 ASP CA . 16851 1 360 . 1 1 31 31 ASP CB C 13 42.00 0.30 . 1 . . . . 31 ASP CB . 16851 1 361 . 1 1 31 31 ASP N N 15 122.88 0.30 . 1 . . . . 31 ASP N . 16851 1 362 . 1 1 32 32 PRO HA H 1 4.17 0.02 . 1 . . . . 32 PRO HA . 16851 1 363 . 1 1 32 32 PRO HB2 H 1 2.33 0.02 . 2 . . . . 32 PRO HB2 . 16851 1 364 . 1 1 32 32 PRO HD2 H 1 3.83 0.02 . 2 . . . . 32 PRO HD1 . 16851 1 365 . 1 1 32 32 PRO HD3 H 1 3.88 0.02 . 2 . . . . 32 PRO HD2 . 16851 1 366 . 1 1 32 32 PRO HG2 H 1 1.95 0.02 . 2 . . . . 32 PRO HG1 . 16851 1 367 . 1 1 32 32 PRO HG3 H 1 2.10 0.02 . 2 . . . . 32 PRO HG2 . 16851 1 368 . 1 1 32 32 PRO C C 13 178.57 0.30 . 1 . . . . 32 PRO C . 16851 1 369 . 1 1 32 32 PRO CA C 13 65.30 0.30 . 1 . . . . 32 PRO CA . 16851 1 370 . 1 1 32 32 PRO CB C 13 31.99 0.30 . 1 . . . . 32 PRO CB . 16851 1 371 . 1 1 32 32 PRO CD C 13 50.75 0.30 . 1 . . . . 32 PRO CD . 16851 1 372 . 1 1 32 32 PRO CG C 13 27.74 0.30 . 1 . . . . 32 PRO CG . 16851 1 373 . 1 1 33 33 ALA H H 1 8.36 0.02 . 1 . . . . 33 ALA HN . 16851 1 374 . 1 1 33 33 ALA HA H 1 4.16 0.02 . 1 . . . . 33 ALA HA . 16851 1 375 . 1 1 33 33 ALA HB1 H 1 1.54 0.02 . 1 . . . . 33 ALA HB1 . 16851 1 376 . 1 1 33 33 ALA HB2 H 1 1.54 0.02 . 1 . . . . 33 ALA HB1 . 16851 1 377 . 1 1 33 33 ALA HB3 H 1 1.54 0.02 . 1 . . . . 33 ALA HB1 . 16851 1 378 . 1 1 33 33 ALA C C 13 180.39 0.30 . 1 . . . . 33 ALA C . 16851 1 379 . 1 1 33 33 ALA CA C 13 54.78 0.30 . 1 . . . . 33 ALA CA . 16851 1 380 . 1 1 33 33 ALA CB C 13 18.50 0.30 . 1 . . . . 33 ALA CB . 16851 1 381 . 1 1 33 33 ALA N N 15 119.58 0.30 . 1 . . . . 33 ALA N . 16851 1 382 . 1 1 34 34 ALA H H 1 7.91 0.02 . 1 . . . . 34 ALA HN . 16851 1 383 . 1 1 34 34 ALA HA H 1 4.01 0.02 . 1 . . . . 34 ALA HA . 16851 1 384 . 1 1 34 34 ALA HB1 H 1 1.09 0.02 . 1 . . . . 34 ALA HB1 . 16851 1 385 . 1 1 34 34 ALA HB2 H 1 1.09 0.02 . 1 . . . . 34 ALA HB1 . 16851 1 386 . 1 1 34 34 ALA HB3 H 1 1.09 0.02 . 1 . . . . 34 ALA HB1 . 16851 1 387 . 1 1 34 34 ALA C C 13 178.91 0.30 . 1 . . . . 34 ALA C . 16851 1 388 . 1 1 34 34 ALA CA C 13 54.55 0.30 . 1 . . . . 34 ALA CA . 16851 1 389 . 1 1 34 34 ALA CB C 13 18.99 0.30 . 1 . . . . 34 ALA CB . 16851 1 390 . 1 1 34 34 ALA N N 15 121.80 0.30 . 1 . . . . 34 ALA N . 16851 1 391 . 1 1 35 35 LEU H H 1 7.43 0.02 . 1 . . . . 35 LEU HN . 16851 1 392 . 1 1 35 35 LEU HA H 1 4.01 0.02 . 1 . . . . 35 LEU HA . 16851 1 393 . 1 1 35 35 LEU HB2 H 1 1.52 0.02 . 2 . . . . 35 LEU HB1 . 16851 1 394 . 1 1 35 35 LEU HB3 H 1 1.74 0.02 . 2 . . . . 35 LEU HB2 . 16851 1 395 . 1 1 35 35 LEU HD21 H 1 0.82 0.02 . 2 . . . . 35 LEU HD21 . 16851 1 396 . 1 1 35 35 LEU HD22 H 1 0.82 0.02 . 2 . . . . 35 LEU HD21 . 16851 1 397 . 1 1 35 35 LEU HD23 H 1 0.82 0.02 . 2 . . . . 35 LEU HD21 . 16851 1 398 . 1 1 35 35 LEU HG H 1 1.61 0.02 . 1 . . . . 35 LEU HG . 16851 1 399 . 1 1 35 35 LEU C C 13 177.93 0.30 . 1 . . . . 35 LEU C . 16851 1 400 . 1 1 35 35 LEU CA C 13 56.91 0.30 . 1 . . . . 35 LEU CA . 16851 1 401 . 1 1 35 35 LEU CB C 13 41.75 0.30 . 1 . . . . 35 LEU CB . 16851 1 402 . 1 1 35 35 LEU CG C 13 27.24 0.30 . 1 . . . . 35 LEU CG . 16851 1 403 . 1 1 35 35 LEU N N 15 113.94 0.30 . 1 . . . . 35 LEU N . 16851 1 404 . 1 1 36 36 LYS H H 1 7.34 0.02 . 1 . . . . 36 LYS HN . 16851 1 405 . 1 1 36 36 LYS HA H 1 4.31 0.02 . 1 . . . . 36 LYS HA . 16851 1 406 . 1 1 36 36 LYS HB2 H 1 1.81 0.02 . 2 . . . . 36 LYS HB1 . 16851 1 407 . 1 1 36 36 LYS HB3 H 1 1.97 0.02 . 2 . . . . 36 LYS HB2 . 16851 1 408 . 1 1 36 36 LYS HD2 H 1 1.69 0.02 . 2 . . . . 36 LYS HD2 . 16851 1 409 . 1 1 36 36 LYS HE2 H 1 3.00 0.02 . 2 . . . . 36 LYS HE2 . 16851 1 410 . 1 1 36 36 LYS HG2 H 1 1.47 0.02 . 2 . . . . 36 LYS HG1 . 16851 1 411 . 1 1 36 36 LYS HG3 H 1 1.52 0.02 . 2 . . . . 36 LYS HG2 . 16851 1 412 . 1 1 36 36 LYS C C 13 175.90 0.30 . 1 . . . . 36 LYS C . 16851 1 413 . 1 1 36 36 LYS CA C 13 55.75 0.30 . 1 . . . . 36 LYS CA . 16851 1 414 . 1 1 36 36 LYS CB C 13 32.74 0.30 . 1 . . . . 36 LYS CB . 16851 1 415 . 1 1 36 36 LYS CD C 13 28.99 0.30 . 1 . . . . 36 LYS CD . 16851 1 416 . 1 1 36 36 LYS CE C 13 42.03 0.30 . 1 . . . . 36 LYS CE . 16851 1 417 . 1 1 36 36 LYS CG C 13 24.74 0.30 . 1 . . . . 36 LYS CG . 16851 1 418 . 1 1 36 36 LYS N N 15 115.88 0.30 . 1 . . . . 36 LYS N . 16851 1 419 . 1 1 37 37 ASP H H 1 7.59 0.02 . 1 . . . . 37 ASP HN . 16851 1 420 . 1 1 37 37 ASP HA H 1 4.55 0.02 . 1 . . . . 37 ASP HA . 16851 1 421 . 1 1 37 37 ASP HB2 H 1 2.74 0.02 . 2 . . . . 37 ASP HB1 . 16851 1 422 . 1 1 37 37 ASP HB3 H 1 2.96 0.02 . 2 . . . . 37 ASP HB2 . 16851 1 423 . 1 1 37 37 ASP C C 13 177.83 0.30 . 1 . . . . 37 ASP C . 16851 1 424 . 1 1 37 37 ASP CA C 13 54.00 0.30 . 1 . . . . 37 ASP CA . 16851 1 425 . 1 1 37 37 ASP CB C 13 44.00 0.30 . 1 . . . . 37 ASP CB . 16851 1 426 . 1 1 37 37 ASP N N 15 122.63 0.30 . 1 . . . . 37 ASP N . 16851 1 427 . 1 1 38 38 ARG H H 1 9.00 0.02 . 1 . . . . 38 ARG HN . 16851 1 428 . 1 1 38 38 ARG HA H 1 4.15 0.02 . 1 . . . . 38 ARG HA . 16851 1 429 . 1 1 38 38 ARG HB2 H 1 1.91 0.02 . 2 . . . . 38 ARG HB2 . 16851 1 430 . 1 1 38 38 ARG HD2 H 1 3.21 0.02 . 2 . . . . 38 ARG HD2 . 16851 1 431 . 1 1 38 38 ARG HE H 1 7.50 0.02 . 1 . . . . 38 ARG HE . 16851 1 432 . 1 1 38 38 ARG HG2 H 1 1.72 0.02 . 2 . . . . 38 ARG HG2 . 16851 1 433 . 1 1 38 38 ARG C C 13 178.14 0.30 . 1 . . . . 38 ARG C . 16851 1 434 . 1 1 38 38 ARG CA C 13 58.90 0.30 . 1 . . . . 38 ARG CA . 16851 1 435 . 1 1 38 38 ARG CB C 13 29.49 0.30 . 1 . . . . 38 ARG CB . 16851 1 436 . 1 1 38 38 ARG CD C 13 43.66 0.30 . 1 . . . . 38 ARG CD . 16851 1 437 . 1 1 38 38 ARG CG C 13 27.73 0.30 . 1 . . . . 38 ARG CG . 16851 1 438 . 1 1 38 38 ARG N N 15 128.57 0.30 . 1 . . . . 38 ARG N . 16851 1 439 . 1 1 38 38 ARG NE N 15 109.77 0.30 . 1 . . . . 38 ARG NE . 16851 1 440 . 1 1 39 39 ARG H H 1 9.46 0.02 . 1 . . . . 39 ARG HN . 16851 1 441 . 1 1 39 39 ARG HA H 1 3.95 0.02 . 1 . . . . 39 ARG HA . 16851 1 442 . 1 1 39 39 ARG HD2 H 1 3.13 0.02 . 2 . . . . 39 ARG HD2 . 16851 1 443 . 1 1 39 39 ARG HE H 1 7.63 0.02 . 1 . . . . 39 ARG HE . 16851 1 444 . 1 1 39 39 ARG HG2 H 1 1.60 0.02 . 2 . . . . 39 ARG HG2 . 16851 1 445 . 1 1 39 39 ARG C C 13 178.18 0.30 . 1 . . . . 39 ARG C . 16851 1 446 . 1 1 39 39 ARG CA C 13 58.96 0.30 . 1 . . . . 39 ARG CA . 16851 1 447 . 1 1 39 39 ARG CB C 13 29.40 0.30 . 1 . . . . 39 ARG CB . 16851 1 448 . 1 1 39 39 ARG CD C 13 43.50 0.30 . 1 . . . . 39 ARG CD . 16851 1 449 . 1 1 39 39 ARG CG C 13 27.40 0.30 . 1 . . . . 39 ARG CG . 16851 1 450 . 1 1 39 39 ARG N N 15 119.25 0.30 . 1 . . . . 39 ARG N . 16851 1 451 . 1 1 39 39 ARG NE N 15 110.58 0.30 . 1 . . . . 39 ARG NE . 16851 1 452 . 1 1 40 40 MET H H 1 8.03 0.02 . 1 . . . . 40 MET HN . 16851 1 453 . 1 1 40 40 MET HA H 1 4.58 0.02 . 1 . . . . 40 MET HA . 16851 1 454 . 1 1 40 40 MET HB2 H 1 2.24 0.02 . 2 . . . . 40 MET HB2 . 16851 1 455 . 1 1 40 40 MET HE1 H 1 1.66 0.02 . 1 . . . . 40 MET HE1 . 16851 1 456 . 1 1 40 40 MET HE2 H 1 1.66 0.02 . 1 . . . . 40 MET HE1 . 16851 1 457 . 1 1 40 40 MET HE3 H 1 1.66 0.02 . 1 . . . . 40 MET HE1 . 16851 1 458 . 1 1 40 40 MET HG2 H 1 2.67 0.02 . 2 . . . . 40 MET HG2 . 16851 1 459 . 1 1 40 40 MET C C 13 178.72 0.30 . 1 . . . . 40 MET C . 16851 1 460 . 1 1 40 40 MET CA C 13 56.54 0.30 . 1 . . . . 40 MET CA . 16851 1 461 . 1 1 40 40 MET CB C 13 31.29 0.30 . 1 . . . . 40 MET CB . 16851 1 462 . 1 1 40 40 MET CE C 13 16.99 0.30 . 1 . . . . 40 MET CE . 16851 1 463 . 1 1 40 40 MET CG C 13 33.00 0.30 . 1 . . . . 40 MET CG . 16851 1 464 . 1 1 40 40 MET N N 15 118.03 0.30 . 1 . . . . 40 MET N . 16851 1 465 . 1 1 41 41 GLU H H 1 7.64 0.02 . 1 . . . . 41 GLU HN . 16851 1 466 . 1 1 41 41 GLU HA H 1 4.08 0.02 . 1 . . . . 41 GLU HA . 16851 1 467 . 1 1 41 41 GLU HB2 H 1 2.16 0.02 . 2 . . . . 41 GLU HB2 . 16851 1 468 . 1 1 41 41 GLU HG2 H 1 2.31 0.02 . 2 . . . . 41 GLU HG1 . 16851 1 469 . 1 1 41 41 GLU HG3 H 1 2.37 0.02 . 2 . . . . 41 GLU HG2 . 16851 1 470 . 1 1 41 41 GLU C C 13 179.26 0.30 . 1 . . . . 41 GLU C . 16851 1 471 . 1 1 41 41 GLU CA C 13 59.59 0.30 . 1 . . . . 41 GLU CA . 16851 1 472 . 1 1 41 41 GLU CB C 13 29.38 0.30 . 1 . . . . 41 GLU CB . 16851 1 473 . 1 1 41 41 GLU CG C 13 36.19 0.30 . 1 . . . . 41 GLU CG . 16851 1 474 . 1 1 41 41 GLU N N 15 118.99 0.30 . 1 . . . . 41 GLU N . 16851 1 475 . 1 1 42 42 ASN H H 1 7.75 0.02 . 1 . . . . 42 ASN HN . 16851 1 476 . 1 1 42 42 ASN HA H 1 4.57 0.02 . 1 . . . . 42 ASN HA . 16851 1 477 . 1 1 42 42 ASN HB2 H 1 2.91 0.02 . 2 . . . . 42 ASN HB2 . 16851 1 478 . 1 1 42 42 ASN HD21 H 1 6.96 0.02 . 2 . . . . 42 ASN HD21 . 16851 1 479 . 1 1 42 42 ASN HD22 H 1 7.79 0.02 . 2 . . . . 42 ASN HD22 . 16851 1 480 . 1 1 42 42 ASN C C 13 176.72 0.30 . 1 . . . . 42 ASN C . 16851 1 481 . 1 1 42 42 ASN CA C 13 55.47 0.30 . 1 . . . . 42 ASN CA . 16851 1 482 . 1 1 42 42 ASN CB C 13 37.99 0.30 . 1 . . . . 42 ASN CB . 16851 1 483 . 1 1 42 42 ASN N N 15 117.45 0.30 . 1 . . . . 42 ASN N . 16851 1 484 . 1 1 42 42 ASN ND2 N 15 111.69 0.30 . 1 . . . . 42 ASN ND2 . 16851 1 485 . 1 1 43 43 LEU H H 1 8.02 0.02 . 1 . . . . 43 LEU HN . 16851 1 486 . 1 1 43 43 LEU HA H 1 4.21 0.02 . 1 . . . . 43 LEU HA . 16851 1 487 . 1 1 43 43 LEU HB2 H 1 1.99 0.02 . 2 . . . . 43 LEU HB1 . 16851 1 488 . 1 1 43 43 LEU HB3 H 1 2.24 0.02 . 2 . . . . 43 LEU HB2 . 16851 1 489 . 1 1 43 43 LEU HD11 H 1 1.15 0.02 . 2 . . . . 43 LEU HD11 . 16851 1 490 . 1 1 43 43 LEU HD12 H 1 1.15 0.02 . 2 . . . . 43 LEU HD11 . 16851 1 491 . 1 1 43 43 LEU HD13 H 1 1.15 0.02 . 2 . . . . 43 LEU HD11 . 16851 1 492 . 1 1 43 43 LEU HD21 H 1 1.22 0.02 . 2 . . . . 43 LEU HD21 . 16851 1 493 . 1 1 43 43 LEU HD22 H 1 1.22 0.02 . 2 . . . . 43 LEU HD21 . 16851 1 494 . 1 1 43 43 LEU HD23 H 1 1.22 0.02 . 2 . . . . 43 LEU HD21 . 16851 1 495 . 1 1 43 43 LEU HG H 1 1.86 0.02 . 1 . . . . 43 LEU HG . 16851 1 496 . 1 1 43 43 LEU C C 13 179.72 0.30 . 1 . . . . 43 LEU C . 16851 1 497 . 1 1 43 43 LEU CA C 13 59.64 0.30 . 1 . . . . 43 LEU CA . 16851 1 498 . 1 1 43 43 LEU CB C 13 42.25 0.30 . 1 . . . . 43 LEU CB . 16851 1 499 . 1 1 43 43 LEU CD1 C 13 26.49 0.30 . 1 . . . . 43 LEU CD1 . 16851 1 500 . 1 1 43 43 LEU CD2 C 13 26.74 0.30 . 1 . . . . 43 LEU CD2 . 16851 1 501 . 1 1 43 43 LEU CG C 13 28.49 0.30 . 1 . . . . 43 LEU CG . 16851 1 502 . 1 1 43 43 LEU N N 15 123.83 0.30 . 1 . . . . 43 LEU N . 16851 1 503 . 1 1 44 44 VAL H H 1 8.03 0.02 . 1 . . . . 44 VAL HN . 16851 1 504 . 1 1 44 44 VAL HA H 1 3.54 0.02 . 1 . . . . 44 VAL HA . 16851 1 505 . 1 1 44 44 VAL HB H 1 2.09 0.02 . 1 . . . . 44 VAL HB . 16851 1 506 . 1 1 44 44 VAL HG11 H 1 0.95 0.02 . 2 . . . . 44 VAL HG11 . 16851 1 507 . 1 1 44 44 VAL HG12 H 1 0.95 0.02 . 2 . . . . 44 VAL HG11 . 16851 1 508 . 1 1 44 44 VAL HG13 H 1 0.95 0.02 . 2 . . . . 44 VAL HG11 . 16851 1 509 . 1 1 44 44 VAL HG21 H 1 1.11 0.02 . 2 . . . . 44 VAL HG21 . 16851 1 510 . 1 1 44 44 VAL HG22 H 1 1.11 0.02 . 2 . . . . 44 VAL HG21 . 16851 1 511 . 1 1 44 44 VAL HG23 H 1 1.11 0.02 . 2 . . . . 44 VAL HG21 . 16851 1 512 . 1 1 44 44 VAL C C 13 177.59 0.30 . 1 . . . . 44 VAL C . 16851 1 513 . 1 1 44 44 VAL CA C 13 66.99 0.30 . 1 . . . . 44 VAL CA . 16851 1 514 . 1 1 44 44 VAL CB C 13 31.74 0.30 . 1 . . . . 44 VAL CB . 16851 1 515 . 1 1 44 44 VAL CG1 C 13 21.24 0.30 . 1 . . . . 44 VAL CG1 . 16851 1 516 . 1 1 44 44 VAL CG2 C 13 22.74 0.30 . 1 . . . . 44 VAL CG2 . 16851 1 517 . 1 1 44 44 VAL N N 15 119.07 0.30 . 1 . . . . 44 VAL N . 16851 1 518 . 1 1 45 45 ALA H H 1 7.94 0.02 . 1 . . . . 45 ALA HN . 16851 1 519 . 1 1 45 45 ALA HA H 1 4.06 0.02 . 1 . . . . 45 ALA HA . 16851 1 520 . 1 1 45 45 ALA HB1 H 1 1.55 0.02 . 1 . . . . 45 ALA HB1 . 16851 1 521 . 1 1 45 45 ALA HB2 H 1 1.55 0.02 . 1 . . . . 45 ALA HB1 . 16851 1 522 . 1 1 45 45 ALA HB3 H 1 1.55 0.02 . 1 . . . . 45 ALA HB1 . 16851 1 523 . 1 1 45 45 ALA C C 13 179.47 0.30 . 1 . . . . 45 ALA C . 16851 1 524 . 1 1 45 45 ALA CA C 13 55.25 0.30 . 1 . . . . 45 ALA CA . 16851 1 525 . 1 1 45 45 ALA CB C 13 17.99 0.30 . 1 . . . . 45 ALA CB . 16851 1 526 . 1 1 45 45 ALA N N 15 120.61 0.30 . 1 . . . . 45 ALA N . 16851 1 527 . 1 1 46 46 TYR H H 1 8.25 0.02 . 1 . . . . 46 TYR HN . 16851 1 528 . 1 1 46 46 TYR HA H 1 4.15 0.02 . 1 . . . . 46 TYR HA . 16851 1 529 . 1 1 46 46 TYR HB2 H 1 3.18 0.02 . 2 . . . . 46 TYR HB2 . 16851 1 530 . 1 1 46 46 TYR HD1 H 1 6.92 0.02 . 3 . . . . 46 TYR HD1 . 16851 1 531 . 1 1 46 46 TYR HE1 H 1 6.69 0.02 . 3 . . . . 46 TYR HE1 . 16851 1 532 . 1 1 46 46 TYR C C 13 177.53 0.30 . 1 . . . . 46 TYR C . 16851 1 533 . 1 1 46 46 TYR CA C 13 61.75 0.30 . 1 . . . . 46 TYR CA . 16851 1 534 . 1 1 46 46 TYR CB C 13 38.84 0.30 . 1 . . . . 46 TYR CB . 16851 1 535 . 1 1 46 46 TYR CD1 C 13 132.59 0.30 . 3 . . . . 46 TYR CD1 . 16851 1 536 . 1 1 46 46 TYR CE1 C 13 118.17 0.30 . 3 . . . . 46 TYR CE1 . 16851 1 537 . 1 1 46 46 TYR N N 15 120.68 0.30 . 1 . . . . 46 TYR N . 16851 1 538 . 1 1 47 47 ALA H H 1 8.16 0.02 . 1 . . . . 47 ALA HN . 16851 1 539 . 1 1 47 47 ALA HA H 1 3.76 0.02 . 1 . . . . 47 ALA HA . 16851 1 540 . 1 1 47 47 ALA HB1 H 1 1.58 0.02 . 1 . . . . 47 ALA HB1 . 16851 1 541 . 1 1 47 47 ALA HB2 H 1 1.58 0.02 . 1 . . . . 47 ALA HB1 . 16851 1 542 . 1 1 47 47 ALA HB3 H 1 1.58 0.02 . 1 . . . . 47 ALA HB1 . 16851 1 543 . 1 1 47 47 ALA C C 13 178.89 0.30 . 1 . . . . 47 ALA C . 16851 1 544 . 1 1 47 47 ALA CA C 13 55.25 0.30 . 1 . . . . 47 ALA CA . 16851 1 545 . 1 1 47 47 ALA CB C 13 20.50 0.30 . 1 . . . . 47 ALA CB . 16851 1 546 . 1 1 47 47 ALA N N 15 121.86 0.30 . 1 . . . . 47 ALA N . 16851 1 547 . 1 1 48 48 LYS H H 1 8.49 0.02 . 1 . . . . 48 LYS HN . 16851 1 548 . 1 1 48 48 LYS HA H 1 4.03 0.02 . 1 . . . . 48 LYS HA . 16851 1 549 . 1 1 48 48 LYS HB2 H 1 1.85 0.02 . 2 . . . . 48 LYS HB2 . 16851 1 550 . 1 1 48 48 LYS HD2 H 1 1.58 0.02 . 2 . . . . 48 LYS HD1 . 16851 1 551 . 1 1 48 48 LYS HD3 H 1 1.61 0.02 . 2 . . . . 48 LYS HD2 . 16851 1 552 . 1 1 48 48 LYS HE2 H 1 2.83 0.02 . 2 . . . . 48 LYS HE1 . 16851 1 553 . 1 1 48 48 LYS HE3 H 1 2.91 0.02 . 2 . . . . 48 LYS HE2 . 16851 1 554 . 1 1 48 48 LYS HG2 H 1 1.38 0.02 . 2 . . . . 48 LYS HG1 . 16851 1 555 . 1 1 48 48 LYS HG3 H 1 1.70 0.02 . 2 . . . . 48 LYS HG2 . 16851 1 556 . 1 1 48 48 LYS C C 13 180.15 0.30 . 1 . . . . 48 LYS C . 16851 1 557 . 1 1 48 48 LYS CA C 13 59.75 0.30 . 1 . . . . 48 LYS CA . 16851 1 558 . 1 1 48 48 LYS CB C 13 33.27 0.30 . 1 . . . . 48 LYS CB . 16851 1 559 . 1 1 48 48 LYS CD C 13 29.82 0.30 . 1 . . . . 48 LYS CD . 16851 1 560 . 1 1 48 48 LYS CE C 13 41.75 0.30 . 1 . . . . 48 LYS CE . 16851 1 561 . 1 1 48 48 LYS CG C 13 26.99 0.30 . 1 . . . . 48 LYS CG . 16851 1 562 . 1 1 48 48 LYS N N 15 115.16 0.30 . 1 . . . . 48 LYS N . 16851 1 563 . 1 1 49 49 LYS H H 1 8.00 0.02 . 1 . . . . 49 LYS HN . 16851 1 564 . 1 1 49 49 LYS HA H 1 4.06 0.02 . 1 . . . . 49 LYS HA . 16851 1 565 . 1 1 49 49 LYS HB2 H 1 2.03 0.02 . 2 . . . . 49 LYS HB2 . 16851 1 566 . 1 1 49 49 LYS HD2 H 1 1.69 0.02 . 2 . . . . 49 LYS HD1 . 16851 1 567 . 1 1 49 49 LYS HD3 H 1 1.72 0.02 . 2 . . . . 49 LYS HD2 . 16851 1 568 . 1 1 49 49 LYS HE2 H 1 2.99 0.02 . 2 . . . . 49 LYS HE2 . 16851 1 569 . 1 1 49 49 LYS HG2 H 1 1.52 0.02 . 2 . . . . 49 LYS HG2 . 16851 1 570 . 1 1 49 49 LYS C C 13 178.39 0.30 . 1 . . . . 49 LYS C . 16851 1 571 . 1 1 49 49 LYS CA C 13 59.60 0.30 . 1 . . . . 49 LYS CA . 16851 1 572 . 1 1 49 49 LYS CB C 13 32.24 0.30 . 1 . . . . 49 LYS CB . 16851 1 573 . 1 1 49 49 LYS CD C 13 29.02 0.30 . 1 . . . . 49 LYS CD . 16851 1 574 . 1 1 49 49 LYS CE C 13 41.50 0.30 . 1 . . . . 49 LYS CE . 16851 1 575 . 1 1 49 49 LYS CG C 13 25.04 0.30 . 1 . . . . 49 LYS CG . 16851 1 576 . 1 1 49 49 LYS N N 15 123.36 0.30 . 1 . . . . 49 LYS N . 16851 1 577 . 1 1 50 50 VAL H H 1 8.18 0.02 . 1 . . . . 50 VAL HN . 16851 1 578 . 1 1 50 50 VAL HA H 1 3.75 0.02 . 1 . . . . 50 VAL HA . 16851 1 579 . 1 1 50 50 VAL HB H 1 1.94 0.02 . 1 . . . . 50 VAL HB . 16851 1 580 . 1 1 50 50 VAL HG11 H 1 0.86 0.02 . 2 . . . . 50 VAL HG11 . 16851 1 581 . 1 1 50 50 VAL HG12 H 1 0.86 0.02 . 2 . . . . 50 VAL HG11 . 16851 1 582 . 1 1 50 50 VAL HG13 H 1 0.86 0.02 . 2 . . . . 50 VAL HG11 . 16851 1 583 . 1 1 50 50 VAL HG21 H 1 0.61 0.02 . 2 . . . . 50 VAL HG21 . 16851 1 584 . 1 1 50 50 VAL HG22 H 1 0.61 0.02 . 2 . . . . 50 VAL HG21 . 16851 1 585 . 1 1 50 50 VAL HG23 H 1 0.61 0.02 . 2 . . . . 50 VAL HG21 . 16851 1 586 . 1 1 50 50 VAL C C 13 178.64 0.30 . 1 . . . . 50 VAL C . 16851 1 587 . 1 1 50 50 VAL CA C 13 66.21 0.30 . 1 . . . . 50 VAL CA . 16851 1 588 . 1 1 50 50 VAL CB C 13 31.75 0.30 . 1 . . . . 50 VAL CB . 16851 1 589 . 1 1 50 50 VAL CG1 C 13 21.74 0.30 . 1 . . . . 50 VAL CG1 . 16851 1 590 . 1 1 50 50 VAL CG2 C 13 21.99 0.30 . 1 . . . . 50 VAL CG2 . 16851 1 591 . 1 1 50 50 VAL N N 15 118.97 0.30 . 1 . . . . 50 VAL N . 16851 1 592 . 1 1 51 51 GLU H H 1 8.30 0.02 . 1 . . . . 51 GLU HN . 16851 1 593 . 1 1 51 51 GLU HA H 1 3.93 0.02 . 1 . . . . 51 GLU HA . 16851 1 594 . 1 1 51 51 GLU HB2 H 1 1.64 0.02 . 2 . . . . 51 GLU HB1 . 16851 1 595 . 1 1 51 51 GLU HB3 H 1 2.32 0.02 . 2 . . . . 51 GLU HB2 . 16851 1 596 . 1 1 51 51 GLU HG2 H 1 2.36 0.02 . 2 . . . . 51 GLU HG1 . 16851 1 597 . 1 1 51 51 GLU HG3 H 1 2.55 0.02 . 2 . . . . 51 GLU HG2 . 16851 1 598 . 1 1 51 51 GLU C C 13 178.61 0.30 . 1 . . . . 51 GLU C . 16851 1 599 . 1 1 51 51 GLU CA C 13 61.92 0.30 . 1 . . . . 51 GLU CA . 16851 1 600 . 1 1 51 51 GLU CB C 13 29.02 0.30 . 1 . . . . 51 GLU CB . 16851 1 601 . 1 1 51 51 GLU CG C 13 36.24 0.30 . 1 . . . . 51 GLU CG . 16851 1 602 . 1 1 51 51 GLU N N 15 120.27 0.30 . 1 . . . . 51 GLU N . 16851 1 603 . 1 1 52 52 GLY H H 1 8.10 0.02 . 1 . . . . 52 GLY HN . 16851 1 604 . 1 1 52 52 GLY HA2 H 1 3.59 0.02 . 2 . . . . 52 GLY HA1 . 16851 1 605 . 1 1 52 52 GLY HA3 H 1 3.90 0.02 . 2 . . . . 52 GLY HA2 . 16851 1 606 . 1 1 52 52 GLY C C 13 176.53 0.30 . 1 . . . . 52 GLY C . 16851 1 607 . 1 1 52 52 GLY CA C 13 47.60 0.30 . 1 . . . . 52 GLY CA . 16851 1 608 . 1 1 52 52 GLY N N 15 106.18 0.30 . 1 . . . . 52 GLY N . 16851 1 609 . 1 1 53 53 ASP H H 1 8.25 0.02 . 1 . . . . 53 ASP HN . 16851 1 610 . 1 1 53 53 ASP HA H 1 4.59 0.02 . 1 . . . . 53 ASP HA . 16851 1 611 . 1 1 53 53 ASP HB2 H 1 2.77 0.02 . 2 . . . . 53 ASP HB1 . 16851 1 612 . 1 1 53 53 ASP HB3 H 1 2.93 0.02 . 2 . . . . 53 ASP HB2 . 16851 1 613 . 1 1 53 53 ASP CA C 13 57.23 0.30 . 1 . . . . 53 ASP CA . 16851 1 614 . 1 1 53 53 ASP CB C 13 40.63 0.30 . 1 . . . . 53 ASP CB . 16851 1 615 . 1 1 53 53 ASP N N 15 122.55 0.30 . 1 . . . . 53 ASP N . 16851 1 616 . 1 1 54 54 MET H H 1 8.17 0.02 . 1 . . . . 54 MET HN . 16851 1 617 . 1 1 54 54 MET HA H 1 4.34 0.02 . 1 . . . . 54 MET HA . 16851 1 618 . 1 1 54 54 MET HB2 H 1 2.17 0.02 . 2 . . . . 54 MET HB1 . 16851 1 619 . 1 1 54 54 MET HB3 H 1 2.48 0.02 . 2 . . . . 54 MET HB2 . 16851 1 620 . 1 1 54 54 MET HE1 H 1 1.99 0.02 . 1 . . . . 54 MET HE1 . 16851 1 621 . 1 1 54 54 MET HE2 H 1 1.99 0.02 . 1 . . . . 54 MET HE1 . 16851 1 622 . 1 1 54 54 MET HE3 H 1 1.99 0.02 . 1 . . . . 54 MET HE1 . 16851 1 623 . 1 1 54 54 MET HG2 H 1 2.76 0.02 . 2 . . . . 54 MET HG1 . 16851 1 624 . 1 1 54 54 MET HG3 H 1 2.87 0.02 . 2 . . . . 54 MET HG2 . 16851 1 625 . 1 1 54 54 MET C C 13 177.42 0.30 . 1 . . . . 54 MET C . 16851 1 626 . 1 1 54 54 MET CA C 13 59.65 0.30 . 1 . . . . 54 MET CA . 16851 1 627 . 1 1 54 54 MET CB C 13 32.49 0.30 . 1 . . . . 54 MET CB . 16851 1 628 . 1 1 54 54 MET CE C 13 18.99 0.30 . 1 . . . . 54 MET CE . 16851 1 629 . 1 1 54 54 MET CG C 13 33.24 0.30 . 1 . . . . 54 MET CG . 16851 1 630 . 1 1 54 54 MET N N 15 121.49 0.30 . 1 . . . . 54 MET N . 16851 1 631 . 1 1 55 55 TYR H H 1 9.28 0.02 . 1 . . . . 55 TYR HN . 16851 1 632 . 1 1 55 55 TYR HA H 1 4.33 0.02 . 1 . . . . 55 TYR HA . 16851 1 633 . 1 1 55 55 TYR HB2 H 1 3.10 0.02 . 2 . . . . 55 TYR HB1 . 16851 1 634 . 1 1 55 55 TYR HB3 H 1 3.52 0.02 . 2 . . . . 55 TYR HB2 . 16851 1 635 . 1 1 55 55 TYR HD1 H 1 6.54 0.02 . 3 . . . . 55 TYR HD1 . 16851 1 636 . 1 1 55 55 TYR HE1 H 1 5.95 0.02 . 3 . . . . 55 TYR HE1 . 16851 1 637 . 1 1 55 55 TYR C C 13 177.72 0.30 . 1 . . . . 55 TYR C . 16851 1 638 . 1 1 55 55 TYR CA C 13 62.16 0.30 . 1 . . . . 55 TYR CA . 16851 1 639 . 1 1 55 55 TYR CB C 13 38.99 0.30 . 1 . . . . 55 TYR CB . 16851 1 640 . 1 1 55 55 TYR CD1 C 13 132.47 0.30 . 3 . . . . 55 TYR CD1 . 16851 1 641 . 1 1 55 55 TYR CE1 C 13 116.75 0.30 . 3 . . . . 55 TYR CE1 . 16851 1 642 . 1 1 55 55 TYR N N 15 120.84 0.30 . 1 . . . . 55 TYR N . 16851 1 643 . 1 1 56 56 GLU H H 1 8.09 0.02 . 1 . . . . 56 GLU HN . 16851 1 644 . 1 1 56 56 GLU HA H 1 4.27 0.02 . 1 . . . . 56 GLU HA . 16851 1 645 . 1 1 56 56 GLU HB2 H 1 2.18 0.02 . 2 . . . . 56 GLU HB1 . 16851 1 646 . 1 1 56 56 GLU HB3 H 1 2.22 0.02 . 2 . . . . 56 GLU HB2 . 16851 1 647 . 1 1 56 56 GLU HG2 H 1 2.56 0.02 . 2 . . . . 56 GLU HG2 . 16851 1 648 . 1 1 56 56 GLU C C 13 178.44 0.30 . 1 . . . . 56 GLU C . 16851 1 649 . 1 1 56 56 GLU CA C 13 58.25 0.30 . 1 . . . . 56 GLU CA . 16851 1 650 . 1 1 56 56 GLU CB C 13 30.24 0.30 . 1 . . . . 56 GLU CB . 16851 1 651 . 1 1 56 56 GLU CG C 13 36.24 0.30 . 1 . . . . 56 GLU CG . 16851 1 652 . 1 1 56 56 GLU N N 15 114.61 0.30 . 1 . . . . 56 GLU N . 16851 1 653 . 1 1 57 57 SER H H 1 8.11 0.02 . 1 . . . . 57 SER HN . 16851 1 654 . 1 1 57 57 SER HA H 1 4.39 0.02 . 1 . . . . 57 SER HA . 16851 1 655 . 1 1 57 57 SER HB2 H 1 3.95 0.02 . 2 . . . . 57 SER HB1 . 16851 1 656 . 1 1 57 57 SER HB3 H 1 3.98 0.02 . 2 . . . . 57 SER HB2 . 16851 1 657 . 1 1 57 57 SER C C 13 175.51 0.30 . 1 . . . . 57 SER C . 16851 1 658 . 1 1 57 57 SER CA C 13 60.74 0.30 . 1 . . . . 57 SER CA . 16851 1 659 . 1 1 57 57 SER CB C 13 64.66 0.30 . 1 . . . . 57 SER CB . 16851 1 660 . 1 1 57 57 SER N N 15 112.86 0.30 . 1 . . . . 57 SER N . 16851 1 661 . 1 1 58 58 ALA H H 1 8.21 0.02 . 1 . . . . 58 ALA HN . 16851 1 662 . 1 1 58 58 ALA HA H 1 4.21 0.02 . 1 . . . . 58 ALA HA . 16851 1 663 . 1 1 58 58 ALA HB1 H 1 1.59 0.02 . 1 . . . . 58 ALA HB1 . 16851 1 664 . 1 1 58 58 ALA HB2 H 1 1.59 0.02 . 1 . . . . 58 ALA HB1 . 16851 1 665 . 1 1 58 58 ALA HB3 H 1 1.59 0.02 . 1 . . . . 58 ALA HB1 . 16851 1 666 . 1 1 58 58 ALA C C 13 178.15 0.30 . 1 . . . . 58 ALA C . 16851 1 667 . 1 1 58 58 ALA CA C 13 53.09 0.30 . 1 . . . . 58 ALA CA . 16851 1 668 . 1 1 58 58 ALA CB C 13 19.34 0.30 . 1 . . . . 58 ALA CB . 16851 1 669 . 1 1 58 58 ALA N N 15 124.00 0.30 . 1 . . . . 58 ALA N . 16851 1 670 . 1 1 59 59 ASN H H 1 9.18 0.02 . 1 . . . . 59 ASN HN . 16851 1 671 . 1 1 59 59 ASN HA H 1 5.10 0.02 . 1 . . . . 59 ASN HA . 16851 1 672 . 1 1 59 59 ASN HB2 H 1 2.79 0.02 . 2 . . . . 59 ASN HB1 . 16851 1 673 . 1 1 59 59 ASN HB3 H 1 2.99 0.02 . 2 . . . . 59 ASN HB2 . 16851 1 674 . 1 1 59 59 ASN HD21 H 1 7.08 0.02 . 2 . . . . 59 ASN HD21 . 16851 1 675 . 1 1 59 59 ASN HD22 H 1 8.10 0.02 . 2 . . . . 59 ASN HD22 . 16851 1 676 . 1 1 59 59 ASN C C 13 173.99 0.30 . 1 . . . . 59 ASN C . 16851 1 677 . 1 1 59 59 ASN CA C 13 53.31 0.30 . 1 . . . . 59 ASN CA . 16851 1 678 . 1 1 59 59 ASN CB C 13 40.38 0.30 . 1 . . . . 59 ASN CB . 16851 1 679 . 1 1 59 59 ASN N N 15 117.39 0.30 . 1 . . . . 59 ASN N . 16851 1 680 . 1 1 59 59 ASN ND2 N 15 116.38 0.30 . 1 . . . . 59 ASN ND2 . 16851 1 681 . 1 1 60 60 SER H H 1 6.93 0.02 . 1 . . . . 60 SER HN . 16851 1 682 . 1 1 60 60 SER HA H 1 3.73 0.02 . 1 . . . . 60 SER HA . 16851 1 683 . 1 1 60 60 SER HB2 H 1 3.92 0.02 . 2 . . . . 60 SER HB2 . 16851 1 684 . 1 1 60 60 SER C C 13 171.86 0.30 . 1 . . . . 60 SER C . 16851 1 685 . 1 1 60 60 SER CA C 13 56.82 0.30 . 1 . . . . 60 SER CA . 16851 1 686 . 1 1 60 60 SER CB C 13 65.00 0.30 . 1 . . . . 60 SER CB . 16851 1 687 . 1 1 60 60 SER N N 15 111.54 0.30 . 1 . . . . 60 SER N . 16851 1 688 . 1 1 61 61 ARG H H 1 8.71 0.02 . 1 . . . . 61 ARG HN . 16851 1 689 . 1 1 61 61 ARG HA H 1 3.22 0.02 . 1 . . . . 61 ARG HA . 16851 1 690 . 1 1 61 61 ARG HB2 H 1 1.84 0.02 . 2 . . . . 61 ARG HB1 . 16851 1 691 . 1 1 61 61 ARG HB3 H 1 1.95 0.02 . 2 . . . . 61 ARG HB2 . 16851 1 692 . 1 1 61 61 ARG HD2 H 1 3.23 0.02 . 2 . . . . 61 ARG HD1 . 16851 1 693 . 1 1 61 61 ARG HD3 H 1 3.39 0.02 . 2 . . . . 61 ARG HD2 . 16851 1 694 . 1 1 61 61 ARG HG2 H 1 1.56 0.02 . 2 . . . . 61 ARG HG1 . 16851 1 695 . 1 1 61 61 ARG HG3 H 1 1.62 0.02 . 2 . . . . 61 ARG HG2 . 16851 1 696 . 1 1 61 61 ARG C C 13 176.92 0.30 . 1 . . . . 61 ARG C . 16851 1 697 . 1 1 61 61 ARG CA C 13 58.75 0.30 . 1 . . . . 61 ARG CA . 16851 1 698 . 1 1 61 61 ARG CB C 13 29.99 0.30 . 1 . . . . 61 ARG CB . 16851 1 699 . 1 1 61 61 ARG CD C 13 43.75 0.30 . 1 . . . . 61 ARG CD . 16851 1 700 . 1 1 61 61 ARG CG C 13 27.43 0.30 . 1 . . . . 61 ARG CG . 16851 1 701 . 1 1 61 61 ARG N N 15 121.89 0.30 . 1 . . . . 61 ARG N . 16851 1 702 . 1 1 62 62 ASP H H 1 8.11 0.02 . 1 . . . . 62 ASP HN . 16851 1 703 . 1 1 62 62 ASP HA H 1 4.33 0.02 . 1 . . . . 62 ASP HA . 16851 1 704 . 1 1 62 62 ASP HB2 H 1 2.51 0.02 . 2 . . . . 62 ASP HB2 . 16851 1 705 . 1 1 62 62 ASP C C 13 178.71 0.30 . 1 . . . . 62 ASP C . 16851 1 706 . 1 1 62 62 ASP CA C 13 57.25 0.30 . 1 . . . . 62 ASP CA . 16851 1 707 . 1 1 62 62 ASP CB C 13 40.24 0.30 . 1 . . . . 62 ASP CB . 16851 1 708 . 1 1 62 62 ASP N N 15 116.62 0.30 . 1 . . . . 62 ASP N . 16851 1 709 . 1 1 63 63 GLU H H 1 7.78 0.02 . 1 . . . . 63 GLU HN . 16851 1 710 . 1 1 63 63 GLU HA H 1 4.03 0.02 . 1 . . . . 63 GLU HA . 16851 1 711 . 1 1 63 63 GLU HB2 H 1 1.92 0.02 . 2 . . . . 63 GLU HB2 . 16851 1 712 . 1 1 63 63 GLU HG2 H 1 2.20 0.02 . 2 . . . . 63 GLU HG1 . 16851 1 713 . 1 1 63 63 GLU HG3 H 1 2.37 0.02 . 2 . . . . 63 GLU HG2 . 16851 1 714 . 1 1 63 63 GLU C C 13 177.11 0.30 . 1 . . . . 63 GLU C . 16851 1 715 . 1 1 63 63 GLU CA C 13 59.64 0.30 . 1 . . . . 63 GLU CA . 16851 1 716 . 1 1 63 63 GLU CB C 13 30.26 0.30 . 1 . . . . 63 GLU CB . 16851 1 717 . 1 1 63 63 GLU CG C 13 36.49 0.30 . 1 . . . . 63 GLU CG . 16851 1 718 . 1 1 63 63 GLU N N 15 121.10 0.30 . 1 . . . . 63 GLU N . 16851 1 719 . 1 1 64 64 TYR H H 1 7.30 0.02 . 1 . . . . 64 TYR HN . 16851 1 720 . 1 1 64 64 TYR HA H 1 4.01 0.02 . 1 . . . . 64 TYR HA . 16851 1 721 . 1 1 64 64 TYR HB2 H 1 2.64 0.02 . 2 . . . . 64 TYR HB1 . 16851 1 722 . 1 1 64 64 TYR HB3 H 1 2.82 0.02 . 2 . . . . 64 TYR HB2 . 16851 1 723 . 1 1 64 64 TYR HD1 H 1 6.87 0.02 . 3 . . . . 64 TYR HD1 . 16851 1 724 . 1 1 64 64 TYR HE1 H 1 6.86 0.02 . 3 . . . . 64 TYR HE1 . 16851 1 725 . 1 1 64 64 TYR C C 13 176.11 0.30 . 1 . . . . 64 TYR C . 16851 1 726 . 1 1 64 64 TYR CA C 13 60.75 0.30 . 1 . . . . 64 TYR CA . 16851 1 727 . 1 1 64 64 TYR CB C 13 38.74 0.30 . 1 . . . . 64 TYR CB . 16851 1 728 . 1 1 64 64 TYR CD1 C 13 133.20 0.30 . 3 . . . . 64 TYR CD1 . 16851 1 729 . 1 1 64 64 TYR CE1 C 13 118.17 0.30 . 3 . . . . 64 TYR CE1 . 16851 1 730 . 1 1 64 64 TYR N N 15 121.69 0.30 . 1 . . . . 64 TYR N . 16851 1 731 . 1 1 65 65 TYR H H 1 8.24 0.02 . 1 . . . . 65 TYR HN . 16851 1 732 . 1 1 65 65 TYR HA H 1 4.05 0.02 . 1 . . . . 65 TYR HA . 16851 1 733 . 1 1 65 65 TYR HB2 H 1 3.10 0.02 . 2 . . . . 65 TYR HB1 . 16851 1 734 . 1 1 65 65 TYR HB3 H 1 3.13 0.02 . 2 . . . . 65 TYR HB2 . 16851 1 735 . 1 1 65 65 TYR HD1 H 1 7.19 0.02 . 3 . . . . 65 TYR HD1 . 16851 1 736 . 1 1 65 65 TYR HE1 H 1 6.92 0.02 . 3 . . . . 65 TYR HE1 . 16851 1 737 . 1 1 65 65 TYR C C 13 178.90 0.30 . 1 . . . . 65 TYR C . 16851 1 738 . 1 1 65 65 TYR CA C 13 59.71 0.30 . 1 . . . . 65 TYR CA . 16851 1 739 . 1 1 65 65 TYR CB C 13 37.46 0.30 . 1 . . . . 65 TYR CB . 16851 1 740 . 1 1 65 65 TYR CD1 C 13 131.78 0.30 . 3 . . . . 65 TYR CD1 . 16851 1 741 . 1 1 65 65 TYR CE1 C 13 118.17 0.30 . 3 . . . . 65 TYR CE1 . 16851 1 742 . 1 1 65 65 TYR N N 15 115.63 0.30 . 1 . . . . 65 TYR N . 16851 1 743 . 1 1 66 66 HIS H H 1 8.38 0.02 . 1 . . . . 66 HIS HN . 16851 1 744 . 1 1 66 66 HIS HA H 1 4.39 0.02 . 1 . . . . 66 HIS HA . 16851 1 745 . 1 1 66 66 HIS HB2 H 1 3.34 0.02 . 2 . . . . 66 HIS HB1 . 16851 1 746 . 1 1 66 66 HIS HB3 H 1 3.42 0.02 . 2 . . . . 66 HIS HB2 . 16851 1 747 . 1 1 66 66 HIS C C 13 177.20 0.30 . 1 . . . . 66 HIS C . 16851 1 748 . 1 1 66 66 HIS CA C 13 59.82 0.30 . 1 . . . . 66 HIS CA . 16851 1 749 . 1 1 66 66 HIS CB C 13 28.67 0.30 . 1 . . . . 66 HIS CB . 16851 1 750 . 1 1 66 66 HIS N N 15 118.29 0.30 . 1 . . . . 66 HIS N . 16851 1 751 . 1 1 67 67 LEU H H 1 9.03 0.02 . 1 . . . . 67 LEU HN . 16851 1 752 . 1 1 67 67 LEU HA H 1 4.00 0.02 . 1 . . . . 67 LEU HA . 16851 1 753 . 1 1 67 67 LEU HB2 H 1 1.58 0.02 . 2 . . . . 67 LEU HB1 . 16851 1 754 . 1 1 67 67 LEU HB3 H 1 2.15 0.02 . 2 . . . . 67 LEU HB2 . 16851 1 755 . 1 1 67 67 LEU HD11 H 1 0.98 0.02 . 2 . . . . 67 LEU HD11 . 16851 1 756 . 1 1 67 67 LEU HD12 H 1 0.98 0.02 . 2 . . . . 67 LEU HD11 . 16851 1 757 . 1 1 67 67 LEU HD13 H 1 0.98 0.02 . 2 . . . . 67 LEU HD11 . 16851 1 758 . 1 1 67 67 LEU HD21 H 1 1.03 0.02 . 2 . . . . 67 LEU HD21 . 16851 1 759 . 1 1 67 67 LEU HD22 H 1 1.03 0.02 . 2 . . . . 67 LEU HD21 . 16851 1 760 . 1 1 67 67 LEU HD23 H 1 1.03 0.02 . 2 . . . . 67 LEU HD21 . 16851 1 761 . 1 1 67 67 LEU HG H 1 2.06 0.02 . 1 . . . . 67 LEU HG . 16851 1 762 . 1 1 67 67 LEU C C 13 180.82 0.30 . 1 . . . . 67 LEU C . 16851 1 763 . 1 1 67 67 LEU CA C 13 58.24 0.30 . 1 . . . . 67 LEU CA . 16851 1 764 . 1 1 67 67 LEU CB C 13 42.00 0.30 . 1 . . . . 67 LEU CB . 16851 1 765 . 1 1 67 67 LEU CD1 C 13 22.49 0.30 . 1 . . . . 67 LEU CD1 . 16851 1 766 . 1 1 67 67 LEU CD2 C 13 25.99 0.30 . 1 . . . . 67 LEU CD2 . 16851 1 767 . 1 1 67 67 LEU CG C 13 26.99 0.30 . 1 . . . . 67 LEU CG . 16851 1 768 . 1 1 67 67 LEU N N 15 121.03 0.30 . 1 . . . . 67 LEU N . 16851 1 769 . 1 1 68 68 LEU H H 1 7.85 0.02 . 1 . . . . 68 LEU HN . 16851 1 770 . 1 1 68 68 LEU HA H 1 3.85 0.02 . 1 . . . . 68 LEU HA . 16851 1 771 . 1 1 68 68 LEU HB2 H 1 1.36 0.02 . 2 . . . . 68 LEU HB1 . 16851 1 772 . 1 1 68 68 LEU HB3 H 1 1.75 0.02 . 2 . . . . 68 LEU HB2 . 16851 1 773 . 1 1 68 68 LEU HD11 H 1 0.79 0.02 . 2 . . . . 68 LEU HD11 . 16851 1 774 . 1 1 68 68 LEU HD12 H 1 0.79 0.02 . 2 . . . . 68 LEU HD11 . 16851 1 775 . 1 1 68 68 LEU HD13 H 1 0.79 0.02 . 2 . . . . 68 LEU HD11 . 16851 1 776 . 1 1 68 68 LEU HD21 H 1 0.59 0.02 . 2 . . . . 68 LEU HD21 . 16851 1 777 . 1 1 68 68 LEU HD22 H 1 0.59 0.02 . 2 . . . . 68 LEU HD21 . 16851 1 778 . 1 1 68 68 LEU HD23 H 1 0.59 0.02 . 2 . . . . 68 LEU HD21 . 16851 1 779 . 1 1 68 68 LEU HG H 1 1.64 0.02 . 1 . . . . 68 LEU HG . 16851 1 780 . 1 1 68 68 LEU C C 13 178.25 0.30 . 1 . . . . 68 LEU C . 16851 1 781 . 1 1 68 68 LEU CA C 13 58.03 0.30 . 1 . . . . 68 LEU CA . 16851 1 782 . 1 1 68 68 LEU CB C 13 41.42 0.30 . 1 . . . . 68 LEU CB . 16851 1 783 . 1 1 68 68 LEU CD1 C 13 24.99 0.30 . 1 . . . . 68 LEU CD1 . 16851 1 784 . 1 1 68 68 LEU CD2 C 13 25.99 0.30 . 1 . . . . 68 LEU CD2 . 16851 1 785 . 1 1 68 68 LEU CG C 13 27.64 0.30 . 1 . . . . 68 LEU CG . 16851 1 786 . 1 1 68 68 LEU N N 15 121.49 0.30 . 1 . . . . 68 LEU N . 16851 1 787 . 1 1 69 69 ALA H H 1 8.39 0.02 . 1 . . . . 69 ALA HN . 16851 1 788 . 1 1 69 69 ALA HA H 1 3.91 0.02 . 1 . . . . 69 ALA HA . 16851 1 789 . 1 1 69 69 ALA HB1 H 1 1.46 0.02 . 1 . . . . 69 ALA HB1 . 16851 1 790 . 1 1 69 69 ALA HB2 H 1 1.46 0.02 . 1 . . . . 69 ALA HB1 . 16851 1 791 . 1 1 69 69 ALA HB3 H 1 1.46 0.02 . 1 . . . . 69 ALA HB1 . 16851 1 792 . 1 1 69 69 ALA C C 13 180.42 0.30 . 1 . . . . 69 ALA C . 16851 1 793 . 1 1 69 69 ALA CA C 13 55.62 0.30 . 1 . . . . 69 ALA CA . 16851 1 794 . 1 1 69 69 ALA CB C 13 18.39 0.30 . 1 . . . . 69 ALA CB . 16851 1 795 . 1 1 69 69 ALA N N 15 121.22 0.30 . 1 . . . . 69 ALA N . 16851 1 796 . 1 1 70 70 GLU H H 1 8.37 0.02 . 1 . . . . 70 GLU HN . 16851 1 797 . 1 1 70 70 GLU HA H 1 4.04 0.02 . 1 . . . . 70 GLU HA . 16851 1 798 . 1 1 70 70 GLU HB2 H 1 2.06 0.02 . 2 . . . . 70 GLU HB2 . 16851 1 799 . 1 1 70 70 GLU HG2 H 1 2.28 0.02 . 2 . . . . 70 GLU HG2 . 16851 1 800 . 1 1 70 70 GLU C C 13 178.63 0.30 . 1 . . . . 70 GLU C . 16851 1 801 . 1 1 70 70 GLU CA C 13 59.55 0.30 . 1 . . . . 70 GLU CA . 16851 1 802 . 1 1 70 70 GLU CB C 13 29.85 0.30 . 1 . . . . 70 GLU CB . 16851 1 803 . 1 1 70 70 GLU CG C 13 36.72 0.30 . 1 . . . . 70 GLU CG . 16851 1 804 . 1 1 70 70 GLU N N 15 117.58 0.30 . 1 . . . . 70 GLU N . 16851 1 805 . 1 1 71 71 LYS H H 1 7.84 0.02 . 1 . . . . 71 LYS HN . 16851 1 806 . 1 1 71 71 LYS HA H 1 4.19 0.02 . 1 . . . . 71 LYS HA . 16851 1 807 . 1 1 71 71 LYS HB2 H 1 1.95 0.02 . 2 . . . . 71 LYS HB1 . 16851 1 808 . 1 1 71 71 LYS HB3 H 1 2.07 0.02 . 2 . . . . 71 LYS HB2 . 16851 1 809 . 1 1 71 71 LYS HD2 H 1 1.95 0.02 . 2 . . . . 71 LYS HD2 . 16851 1 810 . 1 1 71 71 LYS HE2 H 1 2.91 0.02 . 2 . . . . 71 LYS HE1 . 16851 1 811 . 1 1 71 71 LYS HE3 H 1 2.98 0.02 . 2 . . . . 71 LYS HE2 . 16851 1 812 . 1 1 71 71 LYS HG2 H 1 1.48 0.02 . 2 . . . . 71 LYS HG2 . 16851 1 813 . 1 1 71 71 LYS C C 13 178.51 0.30 . 1 . . . . 71 LYS C . 16851 1 814 . 1 1 71 71 LYS CA C 13 58.24 0.30 . 1 . . . . 71 LYS CA . 16851 1 815 . 1 1 71 71 LYS CB C 13 32.21 0.30 . 1 . . . . 71 LYS CB . 16851 1 816 . 1 1 71 71 LYS CD C 13 28.49 0.30 . 1 . . . . 71 LYS CD . 16851 1 817 . 1 1 71 71 LYS CE C 13 42.30 0.30 . 1 . . . . 71 LYS CE . 16851 1 818 . 1 1 71 71 LYS CG C 13 24.24 0.30 . 1 . . . . 71 LYS CG . 16851 1 819 . 1 1 71 71 LYS N N 15 120.71 0.30 . 1 . . . . 71 LYS N . 16851 1 820 . 1 1 72 72 ILE H H 1 8.44 0.02 . 1 . . . . 72 ILE HN . 16851 1 821 . 1 1 72 72 ILE HA H 1 3.45 0.02 . 1 . . . . 72 ILE HA . 16851 1 822 . 1 1 72 72 ILE HB H 1 1.87 0.02 . 1 . . . . 72 ILE HB . 16851 1 823 . 1 1 72 72 ILE HD11 H 1 0.73 0.02 . 1 . . . . 72 ILE HD11 . 16851 1 824 . 1 1 72 72 ILE HD12 H 1 0.73 0.02 . 1 . . . . 72 ILE HD11 . 16851 1 825 . 1 1 72 72 ILE HD13 H 1 0.73 0.02 . 1 . . . . 72 ILE HD11 . 16851 1 826 . 1 1 72 72 ILE HG12 H 1 0.80 0.02 . 1 . . . . 72 ILE HG11 . 16851 1 827 . 1 1 72 72 ILE HG13 H 1 1.85 0.02 . 1 . . . . 72 ILE HG12 . 16851 1 828 . 1 1 72 72 ILE HG21 H 1 0.85 0.02 . 1 . . . . 72 ILE HG21 . 16851 1 829 . 1 1 72 72 ILE HG22 H 1 0.85 0.02 . 1 . . . . 72 ILE HG21 . 16851 1 830 . 1 1 72 72 ILE HG23 H 1 0.85 0.02 . 1 . . . . 72 ILE HG21 . 16851 1 831 . 1 1 72 72 ILE C C 13 177.19 0.30 . 1 . . . . 72 ILE C . 16851 1 832 . 1 1 72 72 ILE CA C 13 66.69 0.30 . 1 . . . . 72 ILE CA . 16851 1 833 . 1 1 72 72 ILE CB C 13 38.16 0.30 . 1 . . . . 72 ILE CB . 16851 1 834 . 1 1 72 72 ILE CD1 C 13 13.62 0.30 . 1 . . . . 72 ILE CD1 . 16851 1 835 . 1 1 72 72 ILE CG1 C 13 31.41 0.30 . 1 . . . . 72 ILE CG1 . 16851 1 836 . 1 1 72 72 ILE CG2 C 13 16.74 0.30 . 1 . . . . 72 ILE CG2 . 16851 1 837 . 1 1 72 72 ILE N N 15 119.54 0.30 . 1 . . . . 72 ILE N . 16851 1 838 . 1 1 73 73 TYR H H 1 8.11 0.02 . 1 . . . . 73 TYR HN . 16851 1 839 . 1 1 73 73 TYR HA H 1 4.36 0.02 . 1 . . . . 73 TYR HA . 16851 1 840 . 1 1 73 73 TYR HB2 H 1 3.14 0.02 . 2 . . . . 73 TYR HB1 . 16851 1 841 . 1 1 73 73 TYR HB3 H 1 3.20 0.02 . 2 . . . . 73 TYR HB2 . 16851 1 842 . 1 1 73 73 TYR HD1 H 1 7.18 0.02 . 3 . . . . 73 TYR HD1 . 16851 1 843 . 1 1 73 73 TYR HE1 H 1 6.81 0.02 . 3 . . . . 73 TYR HE1 . 16851 1 844 . 1 1 73 73 TYR C C 13 178.39 0.30 . 1 . . . . 73 TYR C . 16851 1 845 . 1 1 73 73 TYR CA C 13 61.16 0.30 . 1 . . . . 73 TYR CA . 16851 1 846 . 1 1 73 73 TYR CB C 13 38.20 0.30 . 1 . . . . 73 TYR CB . 16851 1 847 . 1 1 73 73 TYR CD1 C 13 133.20 0.30 . 3 . . . . 73 TYR CD1 . 16851 1 848 . 1 1 73 73 TYR CE1 C 13 117.97 0.30 . 3 . . . . 73 TYR CE1 . 16851 1 849 . 1 1 73 73 TYR N N 15 119.56 0.30 . 1 . . . . 73 TYR N . 16851 1 850 . 1 1 74 74 LYS H H 1 8.20 0.02 . 1 . . . . 74 LYS HN . 16851 1 851 . 1 1 74 74 LYS HA H 1 3.90 0.02 . 1 . . . . 74 LYS HA . 16851 1 852 . 1 1 74 74 LYS HB2 H 1 2.03 0.02 . 2 . . . . 74 LYS HB1 . 16851 1 853 . 1 1 74 74 LYS HB3 H 1 2.08 0.02 . 2 . . . . 74 LYS HB2 . 16851 1 854 . 1 1 74 74 LYS HD2 H 1 1.76 0.02 . 2 . . . . 74 LYS HD2 . 16851 1 855 . 1 1 74 74 LYS HE2 H 1 3.02 0.02 . 2 . . . . 74 LYS HE2 . 16851 1 856 . 1 1 74 74 LYS HG2 H 1 1.52 0.02 . 2 . . . . 74 LYS HG1 . 16851 1 857 . 1 1 74 74 LYS HG3 H 1 1.77 0.02 . 2 . . . . 74 LYS HG2 . 16851 1 858 . 1 1 74 74 LYS C C 13 179.95 0.30 . 1 . . . . 74 LYS C . 16851 1 859 . 1 1 74 74 LYS CA C 13 59.91 0.30 . 1 . . . . 74 LYS CA . 16851 1 860 . 1 1 74 74 LYS CB C 13 32.81 0.30 . 1 . . . . 74 LYS CB . 16851 1 861 . 1 1 74 74 LYS CD C 13 29.49 0.30 . 1 . . . . 74 LYS CD . 16851 1 862 . 1 1 74 74 LYS CE C 13 42.03 0.30 . 1 . . . . 74 LYS CE . 16851 1 863 . 1 1 74 74 LYS CG C 13 25.74 0.30 . 1 . . . . 74 LYS CG . 16851 1 864 . 1 1 74 74 LYS N N 15 119.15 0.30 . 1 . . . . 74 LYS N . 16851 1 865 . 1 1 75 75 ILE H H 1 8.64 0.02 . 1 . . . . 75 ILE HN . 16851 1 866 . 1 1 75 75 ILE HA H 1 3.57 0.02 . 1 . . . . 75 ILE HA . 16851 1 867 . 1 1 75 75 ILE HB H 1 1.99 0.02 . 1 . . . . 75 ILE HB . 16851 1 868 . 1 1 75 75 ILE HD11 H 1 0.91 0.02 . 1 . . . . 75 ILE HD11 . 16851 1 869 . 1 1 75 75 ILE HD12 H 1 0.91 0.02 . 1 . . . . 75 ILE HD11 . 16851 1 870 . 1 1 75 75 ILE HD13 H 1 0.91 0.02 . 1 . . . . 75 ILE HD11 . 16851 1 871 . 1 1 75 75 ILE HG12 H 1 1.08 0.02 . 1 . . . . 75 ILE HG11 . 16851 1 872 . 1 1 75 75 ILE HG13 H 1 2.02 0.02 . 1 . . . . 75 ILE HG12 . 16851 1 873 . 1 1 75 75 ILE HG21 H 1 0.85 0.02 . 1 . . . . 75 ILE HG21 . 16851 1 874 . 1 1 75 75 ILE HG22 H 1 0.85 0.02 . 1 . . . . 75 ILE HG21 . 16851 1 875 . 1 1 75 75 ILE HG23 H 1 0.85 0.02 . 1 . . . . 75 ILE HG21 . 16851 1 876 . 1 1 75 75 ILE C C 13 176.98 0.30 . 1 . . . . 75 ILE C . 16851 1 877 . 1 1 75 75 ILE CA C 13 66.46 0.30 . 1 . . . . 75 ILE CA . 16851 1 878 . 1 1 75 75 ILE CB C 13 38.34 0.30 . 1 . . . . 75 ILE CB . 16851 1 879 . 1 1 75 75 ILE CD1 C 13 14.49 0.30 . 1 . . . . 75 ILE CD1 . 16851 1 880 . 1 1 75 75 ILE CG1 C 13 30.24 0.30 . 1 . . . . 75 ILE CG1 . 16851 1 881 . 1 1 75 75 ILE CG2 C 13 18.24 0.30 . 1 . . . . 75 ILE CG2 . 16851 1 882 . 1 1 75 75 ILE N N 15 121.50 0.30 . 1 . . . . 75 ILE N . 16851 1 883 . 1 1 76 76 GLN H H 1 8.49 0.02 . 1 . . . . 76 GLN HN . 16851 1 884 . 1 1 76 76 GLN HA H 1 3.97 0.02 . 1 . . . . 76 GLN HA . 16851 1 885 . 1 1 76 76 GLN HB2 H 1 1.99 0.02 . 2 . . . . 76 GLN HB1 . 16851 1 886 . 1 1 76 76 GLN HB3 H 1 2.36 0.02 . 2 . . . . 76 GLN HB2 . 16851 1 887 . 1 1 76 76 GLN HE21 H 1 6.68 0.02 . 2 . . . . 76 GLN HE21 . 16851 1 888 . 1 1 76 76 GLN HE22 H 1 7.41 0.02 . 2 . . . . 76 GLN HE22 . 16851 1 889 . 1 1 76 76 GLN HG2 H 1 2.51 0.02 . 2 . . . . 76 GLN HG1 . 16851 1 890 . 1 1 76 76 GLN HG3 H 1 2.71 0.02 . 2 . . . . 76 GLN HG2 . 16851 1 891 . 1 1 76 76 GLN C C 13 177.18 0.30 . 1 . . . . 76 GLN C . 16851 1 892 . 1 1 76 76 GLN CA C 13 59.68 0.30 . 1 . . . . 76 GLN CA . 16851 1 893 . 1 1 76 76 GLN CB C 13 28.54 0.30 . 1 . . . . 76 GLN CB . 16851 1 894 . 1 1 76 76 GLN CG C 13 34.24 0.30 . 1 . . . . 76 GLN CG . 16851 1 895 . 1 1 76 76 GLN N N 15 117.51 0.30 . 1 . . . . 76 GLN N . 16851 1 896 . 1 1 76 76 GLN NE2 N 15 110.62 0.30 . 1 . . . . 76 GLN NE2 . 16851 1 897 . 1 1 77 77 LYS H H 1 8.04 0.02 . 1 . . . . 77 LYS HN . 16851 1 898 . 1 1 77 77 LYS HA H 1 4.02 0.02 . 1 . . . . 77 LYS HA . 16851 1 899 . 1 1 77 77 LYS HB2 H 1 1.77 0.02 . 2 . . . . 77 LYS HB2 . 16851 1 900 . 1 1 77 77 LYS HD2 H 1 1.57 0.02 . 2 . . . . 77 LYS HD2 . 16851 1 901 . 1 1 77 77 LYS HE2 H 1 2.82 0.02 . 2 . . . . 77 LYS HE1 . 16851 1 902 . 1 1 77 77 LYS HE3 H 1 2.94 0.02 . 2 . . . . 77 LYS HE2 . 16851 1 903 . 1 1 77 77 LYS HG2 H 1 1.24 0.02 . 2 . . . . 77 LYS HG1 . 16851 1 904 . 1 1 77 77 LYS HG3 H 1 1.32 0.02 . 2 . . . . 77 LYS HG2 . 16851 1 905 . 1 1 77 77 LYS C C 13 179.20 0.30 . 1 . . . . 77 LYS C . 16851 1 906 . 1 1 77 77 LYS CA C 13 58.78 0.30 . 1 . . . . 77 LYS CA . 16851 1 907 . 1 1 77 77 LYS CB C 13 31.96 0.30 . 1 . . . . 77 LYS CB . 16851 1 908 . 1 1 77 77 LYS CD C 13 27.49 0.30 . 1 . . . . 77 LYS CD . 16851 1 909 . 1 1 77 77 LYS CE C 13 41.77 0.30 . 1 . . . . 77 LYS CE . 16851 1 910 . 1 1 77 77 LYS CG C 13 24.24 0.30 . 1 . . . . 77 LYS CG . 16851 1 911 . 1 1 77 77 LYS N N 15 119.04 0.30 . 1 . . . . 77 LYS N . 16851 1 912 . 1 1 78 78 GLU H H 1 8.19 0.02 . 1 . . . . 78 GLU HN . 16851 1 913 . 1 1 78 78 GLU HA H 1 4.08 0.02 . 1 . . . . 78 GLU HA . 16851 1 914 . 1 1 78 78 GLU HB2 H 1 1.96 0.02 . 2 . . . . 78 GLU HB1 . 16851 1 915 . 1 1 78 78 GLU HB3 H 1 2.07 0.02 . 2 . . . . 78 GLU HB2 . 16851 1 916 . 1 1 78 78 GLU HG2 H 1 2.20 0.02 . 2 . . . . 78 GLU HG1 . 16851 1 917 . 1 1 78 78 GLU HG3 H 1 2.39 0.02 . 2 . . . . 78 GLU HG2 . 16851 1 918 . 1 1 78 78 GLU C C 13 179.40 0.30 . 1 . . . . 78 GLU C . 16851 1 919 . 1 1 78 78 GLU CA C 13 59.53 0.30 . 1 . . . . 78 GLU CA . 16851 1 920 . 1 1 78 78 GLU CB C 13 29.30 0.30 . 1 . . . . 78 GLU CB . 16851 1 921 . 1 1 78 78 GLU CG C 13 36.49 0.30 . 1 . . . . 78 GLU CG . 16851 1 922 . 1 1 78 78 GLU N N 15 121.29 0.30 . 1 . . . . 78 GLU N . 16851 1 923 . 1 1 79 79 LEU H H 1 8.90 0.02 . 1 . . . . 79 LEU HN . 16851 1 924 . 1 1 79 79 LEU HA H 1 4.04 0.02 . 1 . . . . 79 LEU HA . 16851 1 925 . 1 1 79 79 LEU HB2 H 1 1.71 0.02 . 2 . . . . 79 LEU HB1 . 16851 1 926 . 1 1 79 79 LEU HB3 H 1 1.97 0.02 . 2 . . . . 79 LEU HB2 . 16851 1 927 . 1 1 79 79 LEU HD11 H 1 0.98 0.02 . 2 . . . . 79 LEU HD11 . 16851 1 928 . 1 1 79 79 LEU HD12 H 1 0.98 0.02 . 2 . . . . 79 LEU HD11 . 16851 1 929 . 1 1 79 79 LEU HD13 H 1 0.98 0.02 . 2 . . . . 79 LEU HD11 . 16851 1 930 . 1 1 79 79 LEU HD21 H 1 0.96 0.02 . 2 . . . . 79 LEU HD21 . 16851 1 931 . 1 1 79 79 LEU HD22 H 1 0.96 0.02 . 2 . . . . 79 LEU HD21 . 16851 1 932 . 1 1 79 79 LEU HD23 H 1 0.96 0.02 . 2 . . . . 79 LEU HD21 . 16851 1 933 . 1 1 79 79 LEU HG H 1 1.54 0.02 . 1 . . . . 79 LEU HG . 16851 1 934 . 1 1 79 79 LEU C C 13 176.72 0.30 . 1 . . . . 79 LEU C . 16851 1 935 . 1 1 79 79 LEU CA C 13 58.41 0.30 . 1 . . . . 79 LEU CA . 16851 1 936 . 1 1 79 79 LEU CB C 13 41.17 0.30 . 1 . . . . 79 LEU CB . 16851 1 937 . 1 1 79 79 LEU CD1 C 13 23.74 0.30 . 1 . . . . 79 LEU CD1 . 16851 1 938 . 1 1 79 79 LEU CD2 C 13 25.49 0.30 . 1 . . . . 79 LEU CD2 . 16851 1 939 . 1 1 79 79 LEU CG C 13 26.99 0.30 . 1 . . . . 79 LEU CG . 16851 1 940 . 1 1 79 79 LEU N N 15 121.57 0.30 . 1 . . . . 79 LEU N . 16851 1 941 . 1 1 80 80 GLU H H 1 7.89 0.02 . 1 . . . . 80 GLU HN . 16851 1 942 . 1 1 80 80 GLU HA H 1 4.03 0.02 . 1 . . . . 80 GLU HA . 16851 1 943 . 1 1 80 80 GLU HB2 H 1 2.17 0.02 . 2 . . . . 80 GLU HB2 . 16851 1 944 . 1 1 80 80 GLU HG2 H 1 2.41 0.02 . 2 . . . . 80 GLU HG2 . 16851 1 945 . 1 1 80 80 GLU C C 13 179.29 0.30 . 1 . . . . 80 GLU C . 16851 1 946 . 1 1 80 80 GLU CA C 13 59.66 0.30 . 1 . . . . 80 GLU CA . 16851 1 947 . 1 1 80 80 GLU CB C 13 29.45 0.30 . 1 . . . . 80 GLU CB . 16851 1 948 . 1 1 80 80 GLU N N 15 118.41 0.30 . 1 . . . . 80 GLU N . 16851 1 949 . 1 1 81 81 GLU H H 1 7.80 0.02 . 1 . . . . 81 GLU HN . 16851 1 950 . 1 1 81 81 GLU HA H 1 4.03 0.02 . 1 . . . . 81 GLU HA . 16851 1 951 . 1 1 81 81 GLU HB2 H 1 2.12 0.02 . 2 . . . . 81 GLU HB1 . 16851 1 952 . 1 1 81 81 GLU HB3 H 1 2.20 0.02 . 2 . . . . 81 GLU HB2 . 16851 1 953 . 1 1 81 81 GLU HG2 H 1 2.30 0.02 . 2 . . . . 81 GLU HG1 . 16851 1 954 . 1 1 81 81 GLU HG3 H 1 2.41 0.02 . 2 . . . . 81 GLU HG2 . 16851 1 955 . 1 1 81 81 GLU C C 13 179.59 0.30 . 1 . . . . 81 GLU C . 16851 1 956 . 1 1 81 81 GLU CA C 13 59.52 0.30 . 1 . . . . 81 GLU CA . 16851 1 957 . 1 1 81 81 GLU CB C 13 29.41 0.30 . 1 . . . . 81 GLU CB . 16851 1 958 . 1 1 81 81 GLU CG C 13 35.99 0.30 . 1 . . . . 81 GLU CG . 16851 1 959 . 1 1 81 81 GLU N N 15 118.76 0.30 . 1 . . . . 81 GLU N . 16851 1 960 . 1 1 82 82 LYS H H 1 8.22 0.02 . 1 . . . . 82 LYS HN . 16851 1 961 . 1 1 82 82 LYS HA H 1 4.09 0.02 . 1 . . . . 82 LYS HA . 16851 1 962 . 1 1 82 82 LYS HB2 H 1 1.83 0.02 . 2 . . . . 82 LYS HB1 . 16851 1 963 . 1 1 82 82 LYS HB3 H 1 2.03 0.02 . 2 . . . . 82 LYS HB2 . 16851 1 964 . 1 1 82 82 LYS HD2 H 1 1.65 0.02 . 2 . . . . 82 LYS HD1 . 16851 1 965 . 1 1 82 82 LYS HD3 H 1 1.74 0.02 . 2 . . . . 82 LYS HD2 . 16851 1 966 . 1 1 82 82 LYS HE2 H 1 3.02 0.02 . 2 . . . . 82 LYS HE2 . 16851 1 967 . 1 1 82 82 LYS HG2 H 1 1.56 0.02 . 2 . . . . 82 LYS HG2 . 16851 1 968 . 1 1 82 82 LYS C C 13 179.71 0.30 . 1 . . . . 82 LYS C . 16851 1 969 . 1 1 82 82 LYS CA C 13 58.75 0.30 . 1 . . . . 82 LYS CA . 16851 1 970 . 1 1 82 82 LYS CB C 13 32.49 0.30 . 1 . . . . 82 LYS CB . 16851 1 971 . 1 1 82 82 LYS CD C 13 28.99 0.30 . 1 . . . . 82 LYS CD . 16851 1 972 . 1 1 82 82 LYS CE C 13 42.03 0.30 . 1 . . . . 82 LYS CE . 16851 1 973 . 1 1 82 82 LYS CG C 13 25.74 0.30 . 1 . . . . 82 LYS CG . 16851 1 974 . 1 1 82 82 LYS N N 15 120.39 0.30 . 1 . . . . 82 LYS N . 16851 1 975 . 1 1 83 83 ARG H H 1 8.42 0.02 . 1 . . . . 83 ARG HN . 16851 1 976 . 1 1 83 83 ARG HA H 1 4.02 0.02 . 1 . . . . 83 ARG HA . 16851 1 977 . 1 1 83 83 ARG HB2 H 1 1.91 0.02 . 2 . . . . 83 ARG HB2 . 16851 1 978 . 1 1 83 83 ARG HD2 H 1 3.15 0.02 . 2 . . . . 83 ARG HD1 . 16851 1 979 . 1 1 83 83 ARG HD3 H 1 3.18 0.02 . 2 . . . . 83 ARG HD2 . 16851 1 980 . 1 1 83 83 ARG HG2 H 1 1.65 0.02 . 2 . . . . 83 ARG HG2 . 16851 1 981 . 1 1 83 83 ARG C C 13 176.69 0.30 . 1 . . . . 83 ARG C . 16851 1 982 . 1 1 83 83 ARG CA C 13 59.56 0.30 . 1 . . . . 83 ARG CA . 16851 1 983 . 1 1 83 83 ARG CB C 13 30.61 0.30 . 1 . . . . 83 ARG CB . 16851 1 984 . 1 1 83 83 ARG CD C 13 43.50 0.30 . 1 . . . . 83 ARG CD . 16851 1 985 . 1 1 83 83 ARG CG C 13 28.56 0.30 . 1 . . . . 83 ARG CG . 16851 1 986 . 1 1 83 83 ARG N N 15 118.69 0.30 . 1 . . . . 83 ARG N . 16851 1 987 . 1 1 84 84 ARG H H 1 7.92 0.02 . 1 . . . . 84 ARG HN . 16851 1 988 . 1 1 84 84 ARG HA H 1 4.18 0.02 . 1 . . . . 84 ARG HA . 16851 1 989 . 1 1 84 84 ARG HB2 H 1 1.94 0.02 . 2 . . . . 84 ARG HB2 . 16851 1 990 . 1 1 84 84 ARG HD2 H 1 3.21 0.02 . 2 . . . . 84 ARG HD2 . 16851 1 991 . 1 1 84 84 ARG HE H 1 7.28 0.02 . 1 . . . . 84 ARG HE . 16851 1 992 . 1 1 84 84 ARG HG2 H 1 1.70 0.02 . 2 . . . . 84 ARG HG1 . 16851 1 993 . 1 1 84 84 ARG HG3 H 1 1.81 0.02 . 2 . . . . 84 ARG HG2 . 16851 1 994 . 1 1 84 84 ARG C C 13 177.56 0.30 . 1 . . . . 84 ARG C . 16851 1 995 . 1 1 84 84 ARG CA C 13 58.39 0.30 . 1 . . . . 84 ARG CA . 16851 1 996 . 1 1 84 84 ARG CB C 13 30.48 0.30 . 1 . . . . 84 ARG CB . 16851 1 997 . 1 1 84 84 ARG CD C 13 43.50 0.30 . 1 . . . . 84 ARG CD . 16851 1 998 . 1 1 84 84 ARG CG C 13 27.49 0.30 . 1 . . . . 84 ARG CG . 16851 1 999 . 1 1 84 84 ARG N N 15 118.29 0.30 . 1 . . . . 84 ARG N . 16851 1 1000 . 1 1 84 84 ARG NE N 15 109.21 0.30 . 1 . . . . 84 ARG NE . 16851 1 1001 . 1 1 85 85 SER H H 1 7.85 0.02 . 1 . . . . 85 SER HN . 16851 1 1002 . 1 1 85 85 SER HA H 1 4.41 0.02 . 1 . . . . 85 SER HA . 16851 1 1003 . 1 1 85 85 SER HB2 H 1 3.98 0.02 . 2 . . . . 85 SER HB2 . 16851 1 1004 . 1 1 85 85 SER C C 13 174.26 0.30 . 1 . . . . 85 SER C . 16851 1 1005 . 1 1 85 85 SER CA C 13 59.70 0.30 . 1 . . . . 85 SER CA . 16851 1 1006 . 1 1 85 85 SER CB C 13 63.91 0.30 . 1 . . . . 85 SER CB . 16851 1 1007 . 1 1 85 85 SER N N 15 114.02 0.30 . 1 . . . . 85 SER N . 16851 1 1008 . 1 1 86 86 ARG H H 1 7.58 0.02 . 1 . . . . 86 ARG HN . 16851 1 1009 . 1 1 86 86 ARG HA H 1 4.36 0.02 . 1 . . . . 86 ARG HA . 16851 1 1010 . 1 1 86 86 ARG HB2 H 1 1.79 0.02 . 2 . . . . 86 ARG HB1 . 16851 1 1011 . 1 1 86 86 ARG HB3 H 1 1.96 0.02 . 2 . . . . 86 ARG HB2 . 16851 1 1012 . 1 1 86 86 ARG HD2 H 1 3.18 0.02 . 2 . . . . 86 ARG HD2 . 16851 1 1013 . 1 1 86 86 ARG HE H 1 7.27 0.02 . 1 . . . . 86 ARG HE . 16851 1 1014 . 1 1 86 86 ARG HG2 H 1 1.69 0.02 . 2 . . . . 86 ARG HG2 . 16851 1 1015 . 1 1 86 86 ARG C C 13 175.22 0.30 . 1 . . . . 86 ARG C . 16851 1 1016 . 1 1 86 86 ARG CA C 13 56.25 0.30 . 1 . . . . 86 ARG CA . 16851 1 1017 . 1 1 86 86 ARG CB C 13 30.85 0.30 . 1 . . . . 86 ARG CB . 16851 1 1018 . 1 1 86 86 ARG CD C 13 43.50 0.30 . 1 . . . . 86 ARG CD . 16851 1 1019 . 1 1 86 86 ARG CG C 13 27.24 0.30 . 1 . . . . 86 ARG CG . 16851 1 1020 . 1 1 86 86 ARG N N 15 121.51 0.30 . 1 . . . . 86 ARG N . 16851 1 1021 . 1 1 86 86 ARG NE N 15 109.53 0.30 . 1 . . . . 86 ARG NE . 16851 1 1022 . 1 1 87 87 LEU H H 1 7.61 0.02 . 1 . . . . 87 LEU HN . 16851 1 1023 . 1 1 87 87 LEU HA H 1 4.17 0.02 . 1 . . . . 87 LEU HA . 16851 1 1024 . 1 1 87 87 LEU HB2 H 1 1.56 0.02 . 2 . . . . 87 LEU HB1 . 16851 1 1025 . 1 1 87 87 LEU HB3 H 1 1.65 0.02 . 2 . . . . 87 LEU HB2 . 16851 1 1026 . 1 1 87 87 LEU HD11 H 1 0.86 0.02 . 2 . . . . 87 LEU HD11 . 16851 1 1027 . 1 1 87 87 LEU HD12 H 1 0.86 0.02 . 2 . . . . 87 LEU HD11 . 16851 1 1028 . 1 1 87 87 LEU HD13 H 1 0.86 0.02 . 2 . . . . 87 LEU HD11 . 16851 1 1029 . 1 1 87 87 LEU HD21 H 1 0.92 0.02 . 2 . . . . 87 LEU HD21 . 16851 1 1030 . 1 1 87 87 LEU HD22 H 1 0.92 0.02 . 2 . . . . 87 LEU HD21 . 16851 1 1031 . 1 1 87 87 LEU HD23 H 1 0.92 0.02 . 2 . . . . 87 LEU HD21 . 16851 1 1032 . 1 1 87 87 LEU HG H 1 1.68 0.02 . 1 . . . . 87 LEU HG . 16851 1 1033 . 1 1 87 87 LEU CA C 13 57.00 0.30 . 1 . . . . 87 LEU CA . 16851 1 1034 . 1 1 87 87 LEU CB C 13 43.45 0.30 . 1 . . . . 87 LEU CB . 16851 1 1035 . 1 1 87 87 LEU CD1 C 13 23.24 0.30 . 1 . . . . 87 LEU CD1 . 16851 1 1036 . 1 1 87 87 LEU CD2 C 13 25.24 0.30 . 1 . . . . 87 LEU CD2 . 16851 1 1037 . 1 1 87 87 LEU CG C 13 26.74 0.30 . 1 . . . . 87 LEU CG . 16851 1 1038 . 1 1 87 87 LEU N N 15 127.99 0.30 . 1 . . . . 87 LEU N . 16851 1 1039 . 2 2 2 2 SER HA H 1 4.57 0.02 . 1 . . . . 89 SER HA . 16851 1 1040 . 2 2 2 2 SER HB2 H 1 3.93 0.02 . 2 . . . . 89 SER HB2 . 16851 1 1041 . 2 2 2 2 SER C C 13 175.08 0.30 . 1 . . . . 89 SER C . 16851 1 1042 . 2 2 2 2 SER CA C 13 58.65 0.30 . 1 . . . . 89 SER CA . 16851 1 1043 . 2 2 2 2 SER CB C 13 64.16 0.30 . 1 . . . . 89 SER CB . 16851 1 1044 . 2 2 3 3 GLY H H 1 8.73 0.02 . 1 . . . . 90 GLY HN . 16851 1 1045 . 2 2 3 3 GLY HA2 H 1 4.04 0.02 . 2 . . . . 90 GLY HA1 . 16851 1 1046 . 2 2 3 3 GLY HA3 H 1 4.81 0.02 . 2 . . . . 90 GLY HA2 . 16851 1 1047 . 2 2 3 3 GLY C C 13 174.56 0.30 . 1 . . . . 90 GLY C . 16851 1 1048 . 2 2 3 3 GLY CA C 13 45.90 0.30 . 1 . . . . 90 GLY CA . 16851 1 1049 . 2 2 3 3 GLY N N 15 111.77 0.30 . 1 . . . . 90 GLY N . 16851 1 1050 . 2 2 4 4 THR H H 1 8.20 0.02 . 1 . . . . 91 THR HN . 16851 1 1051 . 2 2 4 4 THR HA H 1 4.82 0.02 . 1 . . . . 91 THR HA . 16851 1 1052 . 2 2 4 4 THR HB H 1 4.32 0.02 . 1 . . . . 91 THR HB . 16851 1 1053 . 2 2 4 4 THR HG21 H 1 1.25 0.02 . 1 . . . . 91 THR HG21 . 16851 1 1054 . 2 2 4 4 THR HG22 H 1 1.25 0.02 . 1 . . . . 91 THR HG21 . 16851 1 1055 . 2 2 4 4 THR HG23 H 1 1.25 0.02 . 1 . . . . 91 THR HG21 . 16851 1 1056 . 2 2 4 4 THR C C 13 174.42 0.30 . 1 . . . . 91 THR C . 16851 1 1057 . 2 2 4 4 THR CA C 13 62.61 0.30 . 1 . . . . 91 THR CA . 16851 1 1058 . 2 2 4 4 THR CB C 13 69.94 0.30 . 1 . . . . 91 THR CB . 16851 1 1059 . 2 2 4 4 THR CG2 C 13 21.87 0.30 . 1 . . . . 91 THR CG2 . 16851 1 1060 . 2 2 4 4 THR N N 15 114.87 0.30 . 1 . . . . 91 THR N . 16851 1 1061 . 2 2 5 5 ASP H H 1 8.51 0.02 . 1 . . . . 92 ASP HN . 16851 1 1062 . 2 2 5 5 ASP HA H 1 4.77 0.02 . 1 . . . . 92 ASP HA . 16851 1 1063 . 2 2 5 5 ASP HB2 H 1 2.69 0.02 . 2 . . . . 92 ASP HB1 . 16851 1 1064 . 2 2 5 5 ASP HB3 H 1 2.96 0.02 . 2 . . . . 92 ASP HB2 . 16851 1 1065 . 2 2 5 5 ASP C C 13 176.44 0.30 . 1 . . . . 92 ASP C . 16851 1 1066 . 2 2 5 5 ASP CA C 13 54.48 0.30 . 1 . . . . 92 ASP CA . 16851 1 1067 . 2 2 5 5 ASP CB C 13 40.99 0.30 . 1 . . . . 92 ASP CB . 16851 1 1068 . 2 2 5 5 ASP N N 15 124.15 0.30 . 1 . . . . 92 ASP N . 16851 1 1069 . 2 2 6 6 LYS H H 1 8.49 0.02 . 1 . . . . 93 LYS HN . 16851 1 1070 . 2 2 6 6 LYS HA H 1 4.07 0.02 . 1 . . . . 93 LYS HA . 16851 1 1071 . 2 2 6 6 LYS HB2 H 1 1.89 0.02 . 2 . . . . 93 LYS HB2 . 16851 1 1072 . 2 2 6 6 LYS HE2 H 1 3.04 0.02 . 2 . . . . 93 LYS HE2 . 16851 1 1073 . 2 2 6 6 LYS HG2 H 1 1.49 0.02 . 2 . . . . 93 LYS HG2 . 16851 1 1074 . 2 2 6 6 LYS HZ1 H 1 7.65 0.02 . 1 . . . . 93 LYS HZ1 . 16851 1 1075 . 2 2 6 6 LYS HZ2 H 1 7.65 0.02 . 1 . . . . 93 LYS HZ1 . 16851 1 1076 . 2 2 6 6 LYS HZ3 H 1 7.65 0.02 . 1 . . . . 93 LYS HZ1 . 16851 1 1077 . 2 2 6 6 LYS C C 13 177.44 0.30 . 1 . . . . 93 LYS C . 16851 1 1078 . 2 2 6 6 LYS CA C 13 58.80 0.30 . 1 . . . . 93 LYS CA . 16851 1 1079 . 2 2 6 6 LYS CB C 13 32.71 0.30 . 1 . . . . 93 LYS CB . 16851 1 1080 . 2 2 6 6 LYS CD C 13 28.89 0.30 . 1 . . . . 93 LYS CD . 16851 1 1081 . 2 2 6 6 LYS CE C 13 42.43 0.30 . 1 . . . . 93 LYS CE . 16851 1 1082 . 2 2 6 6 LYS CG C 13 24.91 0.30 . 1 . . . . 93 LYS CG . 16851 1 1083 . 2 2 6 6 LYS N N 15 125.87 0.30 . 1 . . . . 93 LYS N . 16851 1 1084 . 2 2 7 7 GLU H H 1 8.19 0.02 . 1 . . . . 94 GLU HN . 16851 1 1085 . 2 2 7 7 GLU HA H 1 4.07 0.02 . 1 . . . . 94 GLU HA . 16851 1 1086 . 2 2 7 7 GLU HB2 H 1 2.01 0.02 . 2 . . . . 94 GLU HB1 . 16851 1 1087 . 2 2 7 7 GLU HB3 H 1 2.19 0.02 . 2 . . . . 94 GLU HB2 . 16851 1 1088 . 2 2 7 7 GLU HG2 H 1 2.37 0.02 . 2 . . . . 94 GLU HG2 . 16851 1 1089 . 2 2 7 7 GLU C C 13 178.99 0.30 . 1 . . . . 94 GLU C . 16851 1 1090 . 2 2 7 7 GLU CA C 13 59.45 0.30 . 1 . . . . 94 GLU CA . 16851 1 1091 . 2 2 7 7 GLU CB C 13 30.01 0.30 . 1 . . . . 94 GLU CB . 16851 1 1092 . 2 2 7 7 GLU CG C 13 36.94 0.30 . 1 . . . . 94 GLU CG . 16851 1 1093 . 2 2 7 7 GLU N N 15 118.99 0.30 . 1 . . . . 94 GLU N . 16851 1 1094 . 2 2 8 8 LEU H H 1 7.62 0.02 . 1 . . . . 95 LEU HN . 16851 1 1095 . 2 2 8 8 LEU HA H 1 3.67 0.02 . 1 . . . . 95 LEU HA . 16851 1 1096 . 2 2 8 8 LEU HB2 H 1 1.53 0.02 . 2 . . . . 95 LEU HB1 . 16851 1 1097 . 2 2 8 8 LEU HB3 H 1 1.77 0.02 . 2 . . . . 95 LEU HB2 . 16851 1 1098 . 2 2 8 8 LEU HD11 H 1 0.87 0.02 . 2 . . . . 95 LEU HD11 . 16851 1 1099 . 2 2 8 8 LEU HD12 H 1 0.87 0.02 . 2 . . . . 95 LEU HD11 . 16851 1 1100 . 2 2 8 8 LEU HD13 H 1 0.87 0.02 . 2 . . . . 95 LEU HD11 . 16851 1 1101 . 2 2 8 8 LEU HD21 H 1 1.01 0.02 . 2 . . . . 95 LEU HD21 . 16851 1 1102 . 2 2 8 8 LEU HD22 H 1 1.01 0.02 . 2 . . . . 95 LEU HD21 . 16851 1 1103 . 2 2 8 8 LEU HD23 H 1 1.01 0.02 . 2 . . . . 95 LEU HD21 . 16851 1 1104 . 2 2 8 8 LEU C C 13 178.05 0.30 . 1 . . . . 95 LEU C . 16851 1 1105 . 2 2 8 8 LEU CA C 13 57.34 0.30 . 1 . . . . 95 LEU CA . 16851 1 1106 . 2 2 8 8 LEU CB C 13 40.63 0.30 . 1 . . . . 95 LEU CB . 16851 1 1107 . 2 2 8 8 LEU CG C 13 25.98 0.30 . 1 . . . . 95 LEU CG . 16851 1 1108 . 2 2 8 8 LEU N N 15 119.33 0.30 . 1 . . . . 95 LEU N . 16851 1 1109 . 2 2 9 9 SER H H 1 8.17 0.02 . 1 . . . . 96 SER HN . 16851 1 1110 . 2 2 9 9 SER HA H 1 3.96 0.02 . 1 . . . . 96 SER HA . 16851 1 1111 . 2 2 9 9 SER C C 13 176.58 0.30 . 1 . . . . 96 SER C . 16851 1 1112 . 2 2 9 9 SER CA C 13 62.55 0.30 . 1 . . . . 96 SER CA . 16851 1 1113 . 2 2 9 9 SER CB C 13 65.77 0.30 . 1 . . . . 96 SER CB . 16851 1 1114 . 2 2 9 9 SER N N 15 114.52 0.30 . 1 . . . . 96 SER N . 16851 1 1115 . 2 2 10 10 ASP H H 1 8.24 0.02 . 1 . . . . 97 ASP HN . 16851 1 1116 . 2 2 10 10 ASP HA H 1 4.45 0.02 . 1 . . . . 97 ASP HA . 16851 1 1117 . 2 2 10 10 ASP HB2 H 1 2.81 0.02 . 2 . . . . 97 ASP HB2 . 16851 1 1118 . 2 2 10 10 ASP C C 13 179.74 0.30 . 1 . . . . 97 ASP C . 16851 1 1119 . 2 2 10 10 ASP CA C 13 57.32 0.30 . 1 . . . . 97 ASP CA . 16851 1 1120 . 2 2 10 10 ASP CB C 13 40.32 0.30 . 1 . . . . 97 ASP CB . 16851 1 1121 . 2 2 10 10 ASP N N 15 119.68 0.30 . 1 . . . . 97 ASP N . 16851 1 1122 . 2 2 11 11 LEU H H 1 7.75 0.02 . 1 . . . . 98 LEU HN . 16851 1 1123 . 2 2 11 11 LEU HA H 1 4.25 0.02 . 1 . . . . 98 LEU HA . 16851 1 1124 . 2 2 11 11 LEU HB2 H 1 1.96 0.02 . 2 . . . . 98 LEU HB2 . 16851 1 1125 . 2 2 11 11 LEU HD11 H 1 0.64 0.02 . 2 . . . . 98 LEU HD11 . 16851 1 1126 . 2 2 11 11 LEU HD12 H 1 0.64 0.02 . 2 . . . . 98 LEU HD11 . 16851 1 1127 . 2 2 11 11 LEU HD13 H 1 0.64 0.02 . 2 . . . . 98 LEU HD11 . 16851 1 1128 . 2 2 11 11 LEU HD21 H 1 0.86 0.02 . 2 . . . . 98 LEU HD21 . 16851 1 1129 . 2 2 11 11 LEU HD22 H 1 0.86 0.02 . 2 . . . . 98 LEU HD21 . 16851 1 1130 . 2 2 11 11 LEU HD23 H 1 0.86 0.02 . 2 . . . . 98 LEU HD21 . 16851 1 1131 . 2 2 11 11 LEU HG H 1 1.31 0.02 . 1 . . . . 98 LEU HG . 16851 1 1132 . 2 2 11 11 LEU C C 13 178.96 0.30 . 1 . . . . 98 LEU C . 16851 1 1133 . 2 2 11 11 LEU CA C 13 58.11 0.30 . 1 . . . . 98 LEU CA . 16851 1 1134 . 2 2 11 11 LEU CB C 13 42.38 0.30 . 1 . . . . 98 LEU CB . 16851 1 1135 . 2 2 11 11 LEU N N 15 122.43 0.30 . 1 . . . . 98 LEU N . 16851 1 1136 . 2 2 12 12 LEU H H 1 8.62 0.02 . 1 . . . . 99 LEU HN . 16851 1 1137 . 2 2 12 12 LEU HA H 1 4.25 0.02 . 1 . . . . 99 LEU HA . 16851 1 1138 . 2 2 12 12 LEU HB2 H 1 1.96 0.02 . 2 . . . . 99 LEU HB2 . 16851 1 1139 . 2 2 12 12 LEU HD11 H 1 0.87 0.02 . 2 . . . . 99 LEU HD11 . 16851 1 1140 . 2 2 12 12 LEU HD12 H 1 0.87 0.02 . 2 . . . . 99 LEU HD11 . 16851 1 1141 . 2 2 12 12 LEU HD13 H 1 0.87 0.02 . 2 . . . . 99 LEU HD11 . 16851 1 1142 . 2 2 12 12 LEU HD21 H 1 0.93 0.02 . 2 . . . . 99 LEU HD21 . 16851 1 1143 . 2 2 12 12 LEU HD22 H 1 0.93 0.02 . 2 . . . . 99 LEU HD21 . 16851 1 1144 . 2 2 12 12 LEU HD23 H 1 0.93 0.02 . 2 . . . . 99 LEU HD21 . 16851 1 1145 . 2 2 12 12 LEU HG H 1 1.30 0.02 . 1 . . . . 99 LEU HG . 16851 1 1146 . 2 2 12 12 LEU C C 13 178.66 0.30 . 1 . . . . 99 LEU C . 16851 1 1147 . 2 2 12 12 LEU CA C 13 57.53 0.30 . 1 . . . . 99 LEU CA . 16851 1 1148 . 2 2 12 12 LEU CB C 13 42.08 0.30 . 1 . . . . 99 LEU CB . 16851 1 1149 . 2 2 12 12 LEU CG C 13 26.77 0.30 . 1 . . . . 99 LEU CG . 16851 1 1150 . 2 2 12 12 LEU N N 15 119.33 0.30 . 1 . . . . 99 LEU N . 16851 1 1151 . 2 2 13 13 ASP H H 1 8.30 0.02 . 1 . . . . 100 ASP HN . 16851 1 1152 . 2 2 13 13 ASP HA H 1 4.43 0.02 . 1 . . . . 100 ASP HA . 16851 1 1153 . 2 2 13 13 ASP HB2 H 1 2.70 0.02 . 2 . . . . 100 ASP HB1 . 16851 1 1154 . 2 2 13 13 ASP HB3 H 1 2.93 0.02 . 2 . . . . 100 ASP HB2 . 16851 1 1155 . 2 2 13 13 ASP C C 13 178.36 0.30 . 1 . . . . 100 ASP C . 16851 1 1156 . 2 2 13 13 ASP CA C 13 57.32 0.30 . 1 . . . . 100 ASP CA . 16851 1 1157 . 2 2 13 13 ASP CB C 13 40.70 0.30 . 1 . . . . 100 ASP CB . 16851 1 1158 . 2 2 13 13 ASP N N 15 120.71 0.30 . 1 . . . . 100 ASP N . 16851 1 1159 . 2 2 14 14 PHE H H 1 7.42 0.02 . 1 . . . . 101 PHE HN . 16851 1 1160 . 2 2 14 14 PHE HA H 1 4.63 0.02 . 1 . . . . 101 PHE HA . 16851 1 1161 . 2 2 14 14 PHE HB2 H 1 3.34 0.02 . 2 . . . . 101 PHE HB1 . 16851 1 1162 . 2 2 14 14 PHE HB3 H 1 3.48 0.02 . 2 . . . . 101 PHE HB2 . 16851 1 1163 . 2 2 14 14 PHE HE1 H 1 7.25 0.02 . 3 . . . . 101 PHE HE1 . 16851 1 1164 . 2 2 14 14 PHE C C 13 176.11 0.30 . 1 . . . . 101 PHE C . 16851 1 1165 . 2 2 14 14 PHE CA C 13 59.47 0.30 . 1 . . . . 101 PHE CA . 16851 1 1166 . 2 2 14 14 PHE CB C 13 38.98 0.30 . 1 . . . . 101 PHE CB . 16851 1 1167 . 2 2 14 14 PHE N N 15 120.37 0.30 . 1 . . . . 101 PHE N . 16851 1 1168 . 2 2 15 15 SER H H 1 8.23 0.02 . 1 . . . . 102 SER HN . 16851 1 1169 . 2 2 15 15 SER HA H 1 3.91 0.02 . 1 . . . . 102 SER HA . 16851 1 1170 . 2 2 15 15 SER HB2 H 1 3.70 0.02 . 2 . . . . 102 SER HB2 . 16851 1 1171 . 2 2 15 15 SER C C 13 177.50 0.30 . 1 . . . . 102 SER C . 16851 1 1172 . 2 2 15 15 SER CA C 13 59.94 0.30 . 1 . . . . 102 SER CA . 16851 1 1173 . 2 2 15 15 SER CB C 13 63.88 0.30 . 1 . . . . 102 SER CB . 16851 1 1174 . 2 2 15 15 SER N N 15 113.49 0.30 . 1 . . . . 102 SER N . 16851 1 1175 . 2 2 16 16 ALA H H 1 8.60 0.02 . 1 . . . . 103 ALA HN . 16851 1 1176 . 2 2 16 16 ALA HA H 1 3.97 0.02 . 1 . . . . 103 ALA HA . 16851 1 1177 . 2 2 16 16 ALA HB1 H 1 1.39 0.02 . 1 . . . . 103 ALA HB1 . 16851 1 1178 . 2 2 16 16 ALA HB2 H 1 1.39 0.02 . 1 . . . . 103 ALA HB1 . 16851 1 1179 . 2 2 16 16 ALA HB3 H 1 1.39 0.02 . 1 . . . . 103 ALA HB1 . 16851 1 1180 . 2 2 16 16 ALA C C 13 178.35 0.30 . 1 . . . . 103 ALA C . 16851 1 1181 . 2 2 16 16 ALA CA C 13 54.36 0.30 . 1 . . . . 103 ALA CA . 16851 1 1182 . 2 2 16 16 ALA CB C 13 18.58 0.30 . 1 . . . . 103 ALA CB . 16851 1 1183 . 2 2 16 16 ALA N N 15 120.02 0.30 . 1 . . . . 103 ALA N . 16851 1 1184 . 2 2 17 17 MET H H 1 7.56 0.02 . 1 . . . . 104 MET HN . 16851 1 1185 . 2 2 17 17 MET HA H 1 4.13 0.02 . 1 . . . . 104 MET HA . 16851 1 1186 . 2 2 17 17 MET HB2 H 1 2.00 0.02 . 2 . . . . 104 MET HB2 . 16851 1 1187 . 2 2 17 17 MET C C 13 176.24 0.30 . 1 . . . . 104 MET C . 16851 1 1188 . 2 2 17 17 MET CA C 13 57.17 0.30 . 1 . . . . 104 MET CA . 16851 1 1189 . 2 2 17 17 MET CB C 13 32.63 0.30 . 1 . . . . 104 MET CB . 16851 1 1190 . 2 2 17 17 MET CG C 13 32.10 0.30 . 1 . . . . 104 MET CG . 16851 1 1191 . 2 2 17 17 MET N N 15 115.21 0.30 . 1 . . . . 104 MET N . 16851 1 1192 . 2 2 18 18 PHE H H 1 7.66 0.02 . 1 . . . . 105 PHE HN . 16851 1 1193 . 2 2 18 18 PHE HA H 1 4.64 0.02 . 1 . . . . 105 PHE HA . 16851 1 1194 . 2 2 18 18 PHE HB2 H 1 2.78 0.02 . 2 . . . . 105 PHE HB1 . 16851 1 1195 . 2 2 18 18 PHE HB3 H 1 3.40 0.02 . 2 . . . . 105 PHE HB2 . 16851 1 1196 . 2 2 18 18 PHE HD1 H 1 7.32 0.02 . 3 . . . . 105 PHE HD1 . 16851 1 1197 . 2 2 18 18 PHE C C 13 174.73 0.30 . 1 . . . . 105 PHE C . 16851 1 1198 . 2 2 18 18 PHE CA C 13 58.52 0.30 . 1 . . . . 105 PHE CA . 16851 1 1199 . 2 2 18 18 PHE CB C 13 40.64 0.30 . 1 . . . . 105 PHE CB . 16851 1 1200 . 2 2 18 18 PHE N N 15 118.99 0.30 . 1 . . . . 105 PHE N . 16851 1 1201 . 2 2 19 19 SER H H 1 7.83 0.02 . 1 . . . . 106 SER HN . 16851 1 1202 . 2 2 19 19 SER HA H 1 4.33 0.02 . 1 . . . . 106 SER HA . 16851 1 1203 . 2 2 19 19 SER HB2 H 1 3.83 0.02 . 2 . . . . 106 SER HB2 . 16851 1 1204 . 2 2 19 19 SER CA C 13 60.34 0.30 . 1 . . . . 106 SER CA . 16851 1 1205 . 2 2 19 19 SER CB C 13 65.36 0.30 . 1 . . . . 106 SER CB . 16851 1 1206 . 2 2 19 19 SER N N 15 122.08 0.30 . 1 . . . . 106 SER N . 16851 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 56 16851 1 1 57 16851 1 1 59 16851 1 1 60 16851 1 2 64 16851 1 2 65 16851 1 2 67 16851 1 2 68 16851 1 3 92 16851 1 4 184 16851 1 5 227 16851 1 stop_ save_