data_5939 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5939 _Entry.Title ; Backbone and sidechain assignment of murine Spred2 EVH1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-09-09 _Entry.Accession_date 2003-09-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michele Fossi . . . 5939 2 Juergen Zimmermann . . . 5939 3 Thomas Jarchau . . . 5939 4 Alexander Lemak . . . 5939 5 Ulrich Walter . . . 5939 6 Johan Wiegelt . . . 5939 7 Michael Sundstrom . . . 5939 8 Cheryl Arrowsmith . . . 5939 9 Aled Edwards . . . 5939 10 Hartmut Oschkinat . . . 5939 11 Linda Ball . J. . 5939 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5939 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 810 5939 '13C chemical shifts' 353 5939 '15N chemical shifts' 127 5939 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-05-04 . update author 'New assignments added and corrections based on new ADIT-NMR deposition' 5939 2 . . 2005-03-01 . original author 'original release' 5939 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JP2 'NMR structure' 5939 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5939 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15213456 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignment of the human Spred2 EVH1 domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 435 _Citation.Page_last 436 _Citation.Year 2004 _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 Juergen Zimmermann . . . 5939 1 2 Thomas Jarchau . . . 5939 1 3 Ulrich Walter . . . 5939 1 4 Hartmut Oschkinat . . . 5939 1 5 Linda Ball . J. . 5939 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR structure' 5939 1 'EVH1 domains' 5939 1 'automated assignment' 5939 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Spred2_EVH1_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Spred2_EVH1_domain _Assembly.Entry_ID 5939 _Assembly.ID 1 _Assembly.Name 'Spred2 EVH1 domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 14190 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5939 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Spred2 EVH1 domain' 1 $Spred2_EVH1 . . . native . . . . . 5939 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . SwissProt Q924S7 . . . . . ; Molecule studied comprises aa 1-124 of SP entry Q924S7, additional GS at N-terminus from Thromnib cleavage site. ; 5939 1 . PDB 1Q8E . . . . . . 5939 1 . PDB 2JP2 . . . . . . 5939 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Spred2 EVH1 domain' system 5939 1 'Spred2 EVH1 domain' abbreviation 5939 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'involved in Raf/Ras pathway' 5939 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Spred2_EVH1 _Entity.Sf_category entity _Entity.Sf_framecode Spred2_EVH1 _Entity.Entry_ID 5939 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'murine Spred2 EVH1 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMTEETHPDDDSYIVRVKA VVMTRDDSSGGWFPQEGGGI SRVGVCKVMHPEGNGRSGFL IHGERQKDKLVVLECYVRKD LVYTKANPTFHHWKVDNRKF GLTFQSPADARAFDRGVRKA IEDLIE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14193 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JP2 . "Solution Structure And Resonance Assignment Of The N- Terminal Evh1 Domain From The Human Spred2 Protein (Sprouty-Related Prote" . . . . . 100.00 126 100.00 100.00 1.15e-87 . . . . 5939 1 2 no DBJ BAB62849 . "Spred-2 [Mus musculus]" . . . . . 98.41 410 100.00 100.00 4.68e-83 . . . . 5939 1 3 no DBJ BAC29425 . "unnamed protein product [Mus musculus]" . . . . . 98.41 410 100.00 100.00 4.68e-83 . . . . 5939 1 4 no DBJ BAE46587 . "Sprouty-related protein with EVH-1 domain 2 [Rattus norvegicus]" . . . . . 98.41 410 100.00 100.00 4.83e-83 . . . . 5939 1 5 no DBJ BAE90243 . "unnamed protein product [Macaca fascicularis]" . . . . . 93.65 154 98.31 98.31 4.19e-80 . . . . 5939 1 6 no DBJ BAG51727 . "unnamed protein product [Homo sapiens]" . . . . . 98.41 418 100.00 100.00 9.90e-83 . . . . 5939 1 7 no EMBL CAH90125 . "hypothetical protein [Pongo abelii]" . . . . . 98.41 418 100.00 100.00 1.21e-82 . . . . 5939 1 8 no GB AAH66013 . "Sprouty-related, EVH1 domain containing 2 [Mus musculus]" . . . . . 98.41 410 100.00 100.00 4.68e-83 . . . . 5939 1 9 no GB AAI11496 . "SPRED2 protein, partial [Homo sapiens]" . . . . . 98.41 415 100.00 100.00 1.26e-82 . . . . 5939 1 10 no GB AAI30293 . "Sprouty-related, EVH1 domain containing 2 [Homo sapiens]" . . . . . 98.41 418 100.00 100.00 9.90e-83 . . . . 5939 1 11 no GB AAI36335 . "Sprouty-related, EVH1 domain containing 2 [Homo sapiens]" . . . . . 98.41 418 100.00 100.00 9.90e-83 . . . . 5939 1 12 no GB AAP59415 . "SPRED2 [Homo sapiens]" . . . . . 98.41 418 100.00 100.00 9.28e-83 . . . . 5939 1 13 no REF NP_001040559 . "sprouty-related, EVH1 domain-containing protein 2 [Rattus norvegicus]" . . . . . 98.41 410 100.00 100.00 4.83e-83 . . . . 5939 1 14 no REF NP_001121682 . "sprouty-related, EVH1 domain-containing protein 2 isoform b [Homo sapiens]" . . . . . 93.65 415 98.31 98.31 6.41e-76 . . . . 5939 1 15 no REF NP_001127241 . "sprouty-related, EVH1 domain-containing protein 2 [Pongo abelii]" . . . . . 98.41 418 100.00 100.00 1.21e-82 . . . . 5939 1 16 no REF NP_001248029 . "sprouty-related, EVH1 domain-containing protein 2 [Macaca mulatta]" . . . . . 98.41 418 100.00 100.00 9.90e-83 . . . . 5939 1 17 no REF NP_277058 . "sprouty-related, EVH1 domain-containing protein 2 [Mus musculus]" . . . . . 98.41 410 100.00 100.00 4.68e-83 . . . . 5939 1 18 no SP Q3C2P8 . "RecName: Full=Sprouty-related, EVH1 domain-containing protein 2; Short=Spred-2 [Rattus norvegicus]" . . . . . 98.41 410 100.00 100.00 4.83e-83 . . . . 5939 1 19 no SP Q5RDN2 . "RecName: Full=Sprouty-related, EVH1 domain-containing protein 2; Short=Spred-2 [Pongo abelii]" . . . . . 98.41 418 100.00 100.00 1.21e-82 . . . . 5939 1 20 no SP Q7Z698 . "RecName: Full=Sprouty-related, EVH1 domain-containing protein 2; Short=Spred-2 [Homo sapiens]" . . . . . 98.41 418 100.00 100.00 9.90e-83 . . . . 5939 1 21 no SP Q924S7 . "RecName: Full=Sprouty-related, EVH1 domain-containing protein 2; Short=Spred-2 [Mus musculus]" . . . . . 98.41 410 100.00 100.00 4.68e-83 . . . . 5939 1 22 no TPG DAA24561 . "TPA: sprouty-related, EVH1 domain containing 2-like [Bos taurus]" . . . . . 91.27 575 100.00 100.00 2.06e-73 . . . . 5939 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'murine Spred2 EVH1 domain' common 5939 1 Spred2 abbreviation 5939 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 . 5939 1 2 . SER . 5939 1 3 . MET . 5939 1 4 . THR . 5939 1 5 . GLU . 5939 1 6 . GLU . 5939 1 7 . THR . 5939 1 8 . HIS . 5939 1 9 . PRO . 5939 1 10 . ASP . 5939 1 11 . ASP . 5939 1 12 . ASP . 5939 1 13 . SER . 5939 1 14 . TYR . 5939 1 15 . ILE . 5939 1 16 . VAL . 5939 1 17 . ARG . 5939 1 18 . VAL . 5939 1 19 . LYS . 5939 1 20 . ALA . 5939 1 21 . VAL . 5939 1 22 . VAL . 5939 1 23 . MET . 5939 1 24 . THR . 5939 1 25 . ARG . 5939 1 26 . ASP . 5939 1 27 . ASP . 5939 1 28 . SER . 5939 1 29 . SER . 5939 1 30 . GLY . 5939 1 31 . GLY . 5939 1 32 . TRP . 5939 1 33 . PHE . 5939 1 34 . PRO . 5939 1 35 . GLN . 5939 1 36 . GLU . 5939 1 37 . GLY . 5939 1 38 . GLY . 5939 1 39 . GLY . 5939 1 40 . ILE . 5939 1 41 . SER . 5939 1 42 . ARG . 5939 1 43 . VAL . 5939 1 44 . GLY . 5939 1 45 . VAL . 5939 1 46 . CYS . 5939 1 47 . LYS . 5939 1 48 . VAL . 5939 1 49 . MET . 5939 1 50 . HIS . 5939 1 51 . PRO . 5939 1 52 . GLU . 5939 1 53 . GLY . 5939 1 54 . ASN . 5939 1 55 . GLY . 5939 1 56 . ARG . 5939 1 57 . SER . 5939 1 58 . GLY . 5939 1 59 . PHE . 5939 1 60 . LEU . 5939 1 61 . ILE . 5939 1 62 . HIS . 5939 1 63 . GLY . 5939 1 64 . GLU . 5939 1 65 . ARG . 5939 1 66 . GLN . 5939 1 67 . LYS . 5939 1 68 . ASP . 5939 1 69 . LYS . 5939 1 70 . LEU . 5939 1 71 . VAL . 5939 1 72 . VAL . 5939 1 73 . LEU . 5939 1 74 . GLU . 5939 1 75 . CYS . 5939 1 76 . TYR . 5939 1 77 . VAL . 5939 1 78 . ARG . 5939 1 79 . LYS . 5939 1 80 . ASP . 5939 1 81 . LEU . 5939 1 82 . VAL . 5939 1 83 . TYR . 5939 1 84 . THR . 5939 1 85 . LYS . 5939 1 86 . ALA . 5939 1 87 . ASN . 5939 1 88 . PRO . 5939 1 89 . THR . 5939 1 90 . PHE . 5939 1 91 . HIS . 5939 1 92 . HIS . 5939 1 93 . TRP . 5939 1 94 . LYS . 5939 1 95 . VAL . 5939 1 96 . ASP . 5939 1 97 . ASN . 5939 1 98 . ARG . 5939 1 99 . LYS . 5939 1 100 . PHE . 5939 1 101 . GLY . 5939 1 102 . LEU . 5939 1 103 . THR . 5939 1 104 . PHE . 5939 1 105 . GLN . 5939 1 106 . SER . 5939 1 107 . PRO . 5939 1 108 . ALA . 5939 1 109 . ASP . 5939 1 110 . ALA . 5939 1 111 . ARG . 5939 1 112 . ALA . 5939 1 113 . PHE . 5939 1 114 . ASP . 5939 1 115 . ARG . 5939 1 116 . GLY . 5939 1 117 . VAL . 5939 1 118 . ARG . 5939 1 119 . LYS . 5939 1 120 . ALA . 5939 1 121 . ILE . 5939 1 122 . GLU . 5939 1 123 . ASP . 5939 1 124 . LEU . 5939 1 125 . ILE . 5939 1 126 . GLU . 5939 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 5939 1 . SER 2 2 5939 1 . MET 3 3 5939 1 . THR 4 4 5939 1 . GLU 5 5 5939 1 . GLU 6 6 5939 1 . THR 7 7 5939 1 . HIS 8 8 5939 1 . PRO 9 9 5939 1 . ASP 10 10 5939 1 . ASP 11 11 5939 1 . ASP 12 12 5939 1 . SER 13 13 5939 1 . TYR 14 14 5939 1 . ILE 15 15 5939 1 . VAL 16 16 5939 1 . ARG 17 17 5939 1 . VAL 18 18 5939 1 . LYS 19 19 5939 1 . ALA 20 20 5939 1 . VAL 21 21 5939 1 . VAL 22 22 5939 1 . MET 23 23 5939 1 . THR 24 24 5939 1 . ARG 25 25 5939 1 . ASP 26 26 5939 1 . ASP 27 27 5939 1 . SER 28 28 5939 1 . SER 29 29 5939 1 . GLY 30 30 5939 1 . GLY 31 31 5939 1 . TRP 32 32 5939 1 . PHE 33 33 5939 1 . PRO 34 34 5939 1 . GLN 35 35 5939 1 . GLU 36 36 5939 1 . GLY 37 37 5939 1 . GLY 38 38 5939 1 . GLY 39 39 5939 1 . ILE 40 40 5939 1 . SER 41 41 5939 1 . ARG 42 42 5939 1 . VAL 43 43 5939 1 . GLY 44 44 5939 1 . VAL 45 45 5939 1 . CYS 46 46 5939 1 . LYS 47 47 5939 1 . VAL 48 48 5939 1 . MET 49 49 5939 1 . HIS 50 50 5939 1 . PRO 51 51 5939 1 . GLU 52 52 5939 1 . GLY 53 53 5939 1 . ASN 54 54 5939 1 . GLY 55 55 5939 1 . ARG 56 56 5939 1 . SER 57 57 5939 1 . GLY 58 58 5939 1 . PHE 59 59 5939 1 . LEU 60 60 5939 1 . ILE 61 61 5939 1 . HIS 62 62 5939 1 . GLY 63 63 5939 1 . GLU 64 64 5939 1 . ARG 65 65 5939 1 . GLN 66 66 5939 1 . LYS 67 67 5939 1 . ASP 68 68 5939 1 . LYS 69 69 5939 1 . LEU 70 70 5939 1 . VAL 71 71 5939 1 . VAL 72 72 5939 1 . LEU 73 73 5939 1 . GLU 74 74 5939 1 . CYS 75 75 5939 1 . TYR 76 76 5939 1 . VAL 77 77 5939 1 . ARG 78 78 5939 1 . LYS 79 79 5939 1 . ASP 80 80 5939 1 . LEU 81 81 5939 1 . VAL 82 82 5939 1 . TYR 83 83 5939 1 . THR 84 84 5939 1 . LYS 85 85 5939 1 . ALA 86 86 5939 1 . ASN 87 87 5939 1 . PRO 88 88 5939 1 . THR 89 89 5939 1 . PHE 90 90 5939 1 . HIS 91 91 5939 1 . HIS 92 92 5939 1 . TRP 93 93 5939 1 . LYS 94 94 5939 1 . VAL 95 95 5939 1 . ASP 96 96 5939 1 . ASN 97 97 5939 1 . ARG 98 98 5939 1 . LYS 99 99 5939 1 . PHE 100 100 5939 1 . GLY 101 101 5939 1 . LEU 102 102 5939 1 . THR 103 103 5939 1 . PHE 104 104 5939 1 . GLN 105 105 5939 1 . SER 106 106 5939 1 . PRO 107 107 5939 1 . ALA 108 108 5939 1 . ASP 109 109 5939 1 . ALA 110 110 5939 1 . ARG 111 111 5939 1 . ALA 112 112 5939 1 . PHE 113 113 5939 1 . ASP 114 114 5939 1 . ARG 115 115 5939 1 . GLY 116 116 5939 1 . VAL 117 117 5939 1 . ARG 118 118 5939 1 . LYS 119 119 5939 1 . ALA 120 120 5939 1 . ILE 121 121 5939 1 . GLU 122 122 5939 1 . ASP 123 123 5939 1 . LEU 124 124 5939 1 . ILE 125 125 5939 1 . GLU 126 126 5939 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5939 _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 $Spred2_EVH1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 5939 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 5939 _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 $Spred2_EVH1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . ; The DNA fragment encoding human Spred2 (1-124) EVH1 domain was cloned in-frame from a human fetal spleen cDNA library into pGEX-4T-2 and expressed as a glutathione S-transferase fusion protein. ; . . 5939 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5939 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'murine Spred2 EVH1 domain' [U-15N] . . 1 $Spred2_EVH1 . . 1.0 . . mM . . . . 5939 1 2 H2O . . . . . . . 100 . . % . . . . 5939 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 5939 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'murine Spred2 EVH1 domain' '[U-15N; U-13C]' . . 1 $Spred2_EVH1 . . 1.0 . . mM . . . . 5939 2 2 H2O . . . . . . . 100 . . % . . . . 5939 2 stop_ save_ save_Sample_3 _Sample.Sf_category sample _Sample.Sf_framecode Sample_3 _Sample.Entry_ID 5939 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'murine Spred2 EVH1 domain' '[U-15N; U-13C]' . . 1 $Spred2_EVH1 . . 1.0 . . mM . . . . 5939 3 2 D2O . . . . . . . 100 . . % . . . . 5939 3 stop_ save_ ####################### # Sample conditions # ####################### save_Cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond_1 _Sample_condition_list.Entry_ID 5939 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.05 pH 5939 1 temperature 300 2 K 5939 1 stop_ save_ ############################ # Computer software used # ############################ save_XWIN-NMR _Software.Sf_category software _Software.Sf_framecode XWIN-NMR _Software.Entry_ID 5939 _Software.ID 1 _Software.Name XWIN-NMR _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 5939 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5939 1 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 5939 _Software.ID 2 _Software.Name ANSIG _Software.Version 3.3 _Software.Details ; Kraulis, P. J. (1989) ANSIG: A program for the assignment of protein 1H 2D NMR spectra by interactive graphics. J. Magn. Reson. 24, 627-633. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 5939 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5939 2 'chemical shift assignment' 5939 2 'peak picking' 5939 2 integration 5939 2 stop_ save_ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 5939 _Software.ID 3 _Software.Name AZARA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher 'Dept. of Biochemistry, 80, Tennis Court Road Cambridge, CB2 1GA, UK.' . 5939 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5939 3 'peak picking' 5939 3 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 5939 _Software.ID 4 _Software.Name PSVS _Software.Version 1.3 _Software.Details 'Protein structure validation server.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hang, Montelione, et al.' http://www-nmr.cabm.rutgers.edu/PSVS/ hang@cabm.rutgers.edu 5939 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5939 4 'structure validation' 5939 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 5939 _Software.ID 5 _Software.Name X-PLOR_NIH _Software.Version 2.14 _Software.Details 'Used for manual refinement' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 5939 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5939 5 refinement 5939 5 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 5939 _Software.ID 6 _Software.Name ARIA _Software.Version 1.2 _Software.Details 'Automated NOE assignment and initial structure determination' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 5939 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5939 6 refinement 5939 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5939 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5939 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5939 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 750 . . . 5939 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 5939 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 5939 _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 15N-NOESY-HSQC . . . . . . . . . . . . . . . . 1 $Cond_1 . . . . . . . . . . . . . . . . . . . . . 5939 1 2 13C-NOESY-HSQC . . . . . . . . . . . . . . . . 1 $Cond_1 . . . . . . . . . . . . . . . . . . . . . 5939 1 3 13C-HMQC-NOESY . . . . . . . . . . . . . . . . 1 $Cond_1 . . . . . . . . . . . . . . . . . . . . . 5939 1 4 CBCACONNH . . . . . . . . . . . . . . . . 1 $Cond_1 . . . . . . . . . . . . . . . . . . . . . 5939 1 5 CBCANNH . . . . . . . . . . . . . . . . 1 $Cond_1 . . . . . . . . . . . . . . . . . . . . . 5939 1 6 15N-HSQC . . . . . . . . . . . . . . . . 1 $Cond_1 . . . . . . . . . . . . . . . . . . . . . 5939 1 7 CCCONNH . . . . . . . . . . . . . . . . 1 $Cond_1 . . . . . . . . . . . . . . . . . . . . . 5939 1 8 HCCCONNH . . . . . . . . . . . . . . . . 1 $Cond_1 . . . . . . . . . . . . . . . . . . . . . 5939 1 9 2D-NOESY . . . . . . . . . . . . . . . . 1 $Cond_1 . . . . . . . . . . . . . . . . . . . . . 5939 1 10 2D-TOCSY . . . . . . . . . . . . . . . . 1 $Cond_1 . . . . . . . . . . . . . . . . . . . . . 5939 1 11 2D-COSY . . . . . . . . . . . . . . . . 1 $Cond_1 . . . . . . . . . . . . . . . . . . . . . 5939 1 12 15N-TOCSY . . . . . . . . . . . . . . . . 1 $Cond_1 . . . . . . . . . . . . . . . . . . . . . 5939 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5939 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5939 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 13C-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5939 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 13C-HMQC-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5939 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCACONNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5939 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCANNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5939 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5939 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CCCONNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5939 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCCONNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5939 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 2D-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5939 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 2D-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5939 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 2D-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5939 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 15N-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5939 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5939 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5939 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5939 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5939 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $Sample_1 . 5939 1 . . 2 $Sample_2 . 5939 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 CA C 13 43.356 0.100 . 1 . . . . 1 . . . 5939 1 2 . 1 1 2 2 SER H H 1 8.698 0.010 . 1 . . . . 2 . . . 5939 1 3 . 1 1 2 2 SER HA H 1 4.716 0.010 . 1 . . . . 2 . . . 5939 1 4 . 1 1 2 2 SER CA C 13 58.303 0.100 . 1 . . . . 2 . . . 5939 1 5 . 1 1 2 2 SER CB C 13 63.895 0.100 . 1 . . . . 2 . . . 5939 1 6 . 1 1 2 2 SER N N 15 115.904 0.050 . 1 . . . . 2 . . . 5939 1 7 . 1 1 3 3 MET H H 1 8.643 0.010 . 1 . . . . 3 . . . 5939 1 8 . 1 1 3 3 MET HA H 1 4.511 0.010 . 1 . . . . 3 . . . 5939 1 9 . 1 1 3 3 MET HB2 H 1 2.100 0.010 . 1 . . . . 3 . . . 5939 1 10 . 1 1 3 3 MET HB3 H 1 2.100 0.010 . 1 . . . . 3 . . . 5939 1 11 . 1 1 3 3 MET HG2 H 1 2.644 0.010 . 2 . . . . 3 . . . 5939 1 12 . 1 1 3 3 MET HG3 H 1 2.521 0.010 . 2 . . . . 3 . . . 5939 1 13 . 1 1 3 3 MET CA C 13 55.841 0.100 . 1 . . . . 3 . . . 5939 1 14 . 1 1 3 3 MET CB C 13 32.653 0.100 . 1 . . . . 3 . . . 5939 1 15 . 1 1 3 3 MET N N 15 122.335 0.050 . 1 . . . . 3 . . . 5939 1 16 . 1 1 4 4 THR H H 1 8.175 0.010 . 1 . . . . 4 . . . 5939 1 17 . 1 1 4 4 THR HA H 1 4.717 0.010 . 1 . . . . 4 . . . 5939 1 18 . 1 1 4 4 THR HB H 1 4.265 0.010 . 1 . . . . 4 . . . 5939 1 19 . 1 1 4 4 THR HG21 H 1 1.180 0.010 . 1 . . . . 4 . . . 5939 1 20 . 1 1 4 4 THR HG22 H 1 1.180 0.010 . 1 . . . . 4 . . . 5939 1 21 . 1 1 4 4 THR HG23 H 1 1.180 0.010 . 1 . . . . 4 . . . 5939 1 22 . 1 1 4 4 THR CA C 13 61.923 0.100 . 1 . . . . 4 . . . 5939 1 23 . 1 1 4 4 THR CB C 13 69.491 0.100 . 1 . . . . 4 . . . 5939 1 24 . 1 1 4 4 THR CG2 C 13 21.741 0.100 . 1 . . . . 4 . . . 5939 1 25 . 1 1 4 4 THR N N 15 114.909 0.050 . 1 . . . . 4 . . . 5939 1 26 . 1 1 5 5 GLU H H 1 8.357 0.010 . 1 . . . . 5 . . . 5939 1 27 . 1 1 5 5 GLU HA H 1 4.184 0.010 . 1 . . . . 5 . . . 5939 1 28 . 1 1 5 5 GLU HB2 H 1 1.913 0.010 . 1 . . . . 5 . . . 5939 1 29 . 1 1 5 5 GLU HB3 H 1 1.913 0.010 . 1 . . . . 5 . . . 5939 1 30 . 1 1 5 5 GLU HG2 H 1 2.221 0.010 . 1 . . . . 5 . . . 5939 1 31 . 1 1 5 5 GLU HG3 H 1 2.221 0.010 . 1 . . . . 5 . . . 5939 1 32 . 1 1 5 5 GLU N N 15 123.153 0.050 . 1 . . . . 5 . . . 5939 1 33 . 1 1 6 6 GLU H H 1 8.365 0.010 . 1 . . . . 6 . . . 5939 1 34 . 1 1 6 6 GLU HA H 1 4.263 0.010 . 1 . . . . 6 . . . 5939 1 35 . 1 1 6 6 GLU HB2 H 1 1.901 0.010 . 1 . . . . 6 . . . 5939 1 36 . 1 1 6 6 GLU HB3 H 1 1.901 0.010 . 1 . . . . 6 . . . 5939 1 37 . 1 1 6 6 GLU HG2 H 1 2.229 0.010 . 1 . . . . 6 . . . 5939 1 38 . 1 1 6 6 GLU HG3 H 1 2.229 0.010 . 1 . . . . 6 . . . 5939 1 39 . 1 1 6 6 GLU CA C 13 56.627 0.100 . 1 . . . . 6 . . . 5939 1 40 . 1 1 6 6 GLU CB C 13 30.449 0.100 . 1 . . . . 6 . . . 5939 1 41 . 1 1 6 6 GLU CG C 13 36.267 0.100 . 1 . . . . 6 . . . 5939 1 42 . 1 1 6 6 GLU N N 15 123.221 0.050 . 1 . . . . 6 . . . 5939 1 43 . 1 1 7 7 THR H H 1 8.211 0.010 . 1 . . . . 7 . . . 5939 1 44 . 1 1 7 7 THR HA H 1 4.228 0.010 . 1 . . . . 7 . . . 5939 1 45 . 1 1 7 7 THR HB H 1 4.029 0.010 . 1 . . . . 7 . . . 5939 1 46 . 1 1 7 7 THR HG21 H 1 1.112 0.010 . 1 . . . . 7 . . . 5939 1 47 . 1 1 7 7 THR HG22 H 1 1.112 0.010 . 1 . . . . 7 . . . 5939 1 48 . 1 1 7 7 THR HG23 H 1 1.112 0.010 . 1 . . . . 7 . . . 5939 1 49 . 1 1 7 7 THR CA C 13 61.799 0.100 . 1 . . . . 7 . . . 5939 1 50 . 1 1 7 7 THR CB C 13 70.076 0.100 . 1 . . . . 7 . . . 5939 1 51 . 1 1 7 7 THR CG2 C 13 21.662 0.100 . 1 . . . . 7 . . . 5939 1 52 . 1 1 7 7 THR N N 15 116.046 0.050 . 1 . . . . 7 . . . 5939 1 53 . 1 1 8 8 HIS H H 1 8.485 0.010 . 1 . . . . 8 . . . 5939 1 54 . 1 1 8 8 HIS HA H 1 4.853 0.010 . 1 . . . . 8 . . . 5939 1 55 . 1 1 8 8 HIS HB2 H 1 3.158 0.010 . 2 . . . . 8 . . . 5939 1 56 . 1 1 8 8 HIS HB3 H 1 3.041 0.010 . 2 . . . . 8 . . . 5939 1 57 . 1 1 8 8 HIS HD2 H 1 7.244 0.010 . 1 . . . . 8 . . . 5939 1 58 . 1 1 8 8 HIS HE1 H 1 8.593 0.010 . 1 . . . . 8 . . . 5939 1 59 . 1 1 8 8 HIS CA C 13 53.049 0.100 . 1 . . . . 8 . . . 5939 1 60 . 1 1 8 8 HIS CB C 13 29.097 0.100 . 1 . . . . 8 . . . 5939 1 61 . 1 1 8 8 HIS CD2 C 13 120.274 0.100 . 1 . . . . 8 . . . 5939 1 62 . 1 1 8 8 HIS N N 15 120.538 0.050 . 1 . . . . 8 . . . 5939 1 63 . 1 1 9 9 PRO HA H 1 4.221 0.010 . 1 . . . . 9 . . . 5939 1 64 . 1 1 9 9 PRO HB2 H 1 2.077 0.010 . 1 . . . . 9 . . . 5939 1 65 . 1 1 9 9 PRO HB3 H 1 2.077 0.010 . 1 . . . . 9 . . . 5939 1 66 . 1 1 9 9 PRO HG2 H 1 1.535 0.010 . 1 . . . . 9 . . . 5939 1 67 . 1 1 9 9 PRO HG3 H 1 1.535 0.010 . 1 . . . . 9 . . . 5939 1 68 . 1 1 9 9 PRO HD2 H 1 3.291 0.010 . 2 . . . . 9 . . . 5939 1 69 . 1 1 9 9 PRO HD3 H 1 3.042 0.010 . 2 . . . . 9 . . . 5939 1 70 . 1 1 9 9 PRO CA C 13 63.448 0.100 . 1 . . . . 9 . . . 5939 1 71 . 1 1 9 9 PRO CB C 13 32.186 0.100 . 1 . . . . 9 . . . 5939 1 72 . 1 1 9 9 PRO CG C 13 27.877 0.100 . 1 . . . . 9 . . . 5939 1 73 . 1 1 9 9 PRO CD C 13 50.430 0.100 . 1 . . . . 9 . . . 5939 1 74 . 1 1 10 10 ASP H H 1 8.658 0.010 . 1 . . . . 10 . . . 5939 1 75 . 1 1 10 10 ASP HA H 1 4.571 0.010 . 1 . . . . 10 . . . 5939 1 76 . 1 1 10 10 ASP HB2 H 1 2.697 0.010 . 2 . . . . 10 . . . 5939 1 77 . 1 1 10 10 ASP HB3 H 1 2.618 0.010 . 2 . . . . 10 . . . 5939 1 78 . 1 1 10 10 ASP CA C 13 54.332 0.100 . 1 . . . . 10 . . . 5939 1 79 . 1 1 10 10 ASP CB C 13 40.882 0.100 . 1 . . . . 10 . . . 5939 1 80 . 1 1 10 10 ASP N N 15 122.600 0.050 . 1 . . . . 10 . . . 5939 1 81 . 1 1 11 11 ASP H H 1 8.747 0.010 . 1 . . . . 11 . . . 5939 1 82 . 1 1 11 11 ASP HA H 1 4.457 0.010 . 1 . . . . 11 . . . 5939 1 83 . 1 1 11 11 ASP HB2 H 1 2.698 0.010 . 1 . . . . 11 . . . 5939 1 84 . 1 1 11 11 ASP HB3 H 1 2.698 0.010 . 1 . . . . 11 . . . 5939 1 85 . 1 1 11 11 ASP CA C 13 57.314 0.100 . 1 . . . . 11 . . . 5939 1 86 . 1 1 11 11 ASP CB C 13 40.916 0.100 . 1 . . . . 11 . . . 5939 1 87 . 1 1 11 11 ASP N N 15 122.903 0.050 . 1 . . . . 11 . . . 5939 1 88 . 1 1 12 12 ASP H H 1 8.472 0.010 . 1 . . . . 12 . . . 5939 1 89 . 1 1 12 12 ASP HA H 1 4.556 0.010 . 1 . . . . 12 . . . 5939 1 90 . 1 1 12 12 ASP HB2 H 1 2.698 0.010 . 1 . . . . 12 . . . 5939 1 91 . 1 1 12 12 ASP HB3 H 1 2.698 0.010 . 1 . . . . 12 . . . 5939 1 92 . 1 1 12 12 ASP CA C 13 55.119 0.100 . 1 . . . . 12 . . . 5939 1 93 . 1 1 12 12 ASP CB C 13 40.325 0.100 . 1 . . . . 12 . . . 5939 1 94 . 1 1 12 12 ASP N N 15 117.828 0.050 . 1 . . . . 12 . . . 5939 1 95 . 1 1 13 13 SER H H 1 8.096 0.010 . 1 . . . . 13 . . . 5939 1 96 . 1 1 13 13 SER HA H 1 4.365 0.010 . 1 . . . . 13 . . . 5939 1 97 . 1 1 13 13 SER HB2 H 1 4.037 0.010 . 2 . . . . 13 . . . 5939 1 98 . 1 1 13 13 SER HB3 H 1 3.850 0.010 . 2 . . . . 13 . . . 5939 1 99 . 1 1 13 13 SER CA C 13 59.856 0.100 . 1 . . . . 13 . . . 5939 1 100 . 1 1 13 13 SER CB C 13 64.288 0.100 . 1 . . . . 13 . . . 5939 1 101 . 1 1 13 13 SER N N 15 114.762 0.050 . 1 . . . . 13 . . . 5939 1 102 . 1 1 14 14 TYR H H 1 7.600 0.010 . 1 . . . . 14 . . . 5939 1 103 . 1 1 14 14 TYR HA H 1 4.580 0.010 . 1 . . . . 14 . . . 5939 1 104 . 1 1 14 14 TYR HB2 H 1 2.952 0.010 . 2 . . . . 14 . . . 5939 1 105 . 1 1 14 14 TYR HB3 H 1 2.553 0.010 . 2 . . . . 14 . . . 5939 1 106 . 1 1 14 14 TYR HD1 H 1 7.226 0.010 . 1 . . . . 14 . . . 5939 1 107 . 1 1 14 14 TYR HD2 H 1 7.226 0.010 . 1 . . . . 14 . . . 5939 1 108 . 1 1 14 14 TYR HE1 H 1 6.526 0.010 . 1 . . . . 14 . . . 5939 1 109 . 1 1 14 14 TYR HE2 H 1 6.526 0.010 . 1 . . . . 14 . . . 5939 1 110 . 1 1 14 14 TYR CA C 13 59.307 0.100 . 1 . . . . 14 . . . 5939 1 111 . 1 1 14 14 TYR CB C 13 38.580 0.100 . 1 . . . . 14 . . . 5939 1 112 . 1 1 14 14 TYR N N 15 120.642 0.050 . 1 . . . . 14 . . . 5939 1 113 . 1 1 15 15 ILE H H 1 9.198 0.010 . 1 . . . . 15 . . . 5939 1 114 . 1 1 15 15 ILE HA H 1 4.235 0.010 . 1 . . . . 15 . . . 5939 1 115 . 1 1 15 15 ILE HB H 1 1.724 0.010 . 1 . . . . 15 . . . 5939 1 116 . 1 1 15 15 ILE HG12 H 1 1.421 0.010 . 2 . . . . 15 . . . 5939 1 117 . 1 1 15 15 ILE HG13 H 1 1.050 0.010 . 2 . . . . 15 . . . 5939 1 118 . 1 1 15 15 ILE HG21 H 1 0.908 0.010 . 1 . . . . 15 . . . 5939 1 119 . 1 1 15 15 ILE HG22 H 1 0.908 0.010 . 1 . . . . 15 . . . 5939 1 120 . 1 1 15 15 ILE HG23 H 1 0.908 0.010 . 1 . . . . 15 . . . 5939 1 121 . 1 1 15 15 ILE HD11 H 1 0.736 0.010 . 1 . . . . 15 . . . 5939 1 122 . 1 1 15 15 ILE HD12 H 1 0.736 0.010 . 1 . . . . 15 . . . 5939 1 123 . 1 1 15 15 ILE HD13 H 1 0.736 0.010 . 1 . . . . 15 . . . 5939 1 124 . 1 1 15 15 ILE CA C 13 62.560 0.100 . 1 . . . . 15 . . . 5939 1 125 . 1 1 15 15 ILE CB C 13 39.311 0.100 . 1 . . . . 15 . . . 5939 1 126 . 1 1 15 15 ILE CG1 C 13 27.893 0.100 . 1 . . . . 15 . . . 5939 1 127 . 1 1 15 15 ILE CG2 C 13 18.006 0.100 . 1 . . . . 15 . . . 5939 1 128 . 1 1 15 15 ILE CD1 C 13 16.989 0.100 . 1 . . . . 15 . . . 5939 1 129 . 1 1 15 15 ILE N N 15 120.780 0.050 . 1 . . . . 15 . . . 5939 1 130 . 1 1 16 16 VAL H H 1 7.433 0.010 . 1 . . . . 16 . . . 5939 1 131 . 1 1 16 16 VAL HA H 1 4.470 0.010 . 1 . . . . 16 . . . 5939 1 132 . 1 1 16 16 VAL HB H 1 4.218 0.010 . 1 . . . . 16 . . . 5939 1 133 . 1 1 16 16 VAL HG11 H 1 0.897 0.010 . 1 . . . . 16 . . . 5939 1 134 . 1 1 16 16 VAL HG12 H 1 0.897 0.010 . 1 . . . . 16 . . . 5939 1 135 . 1 1 16 16 VAL HG13 H 1 0.897 0.010 . 1 . . . . 16 . . . 5939 1 136 . 1 1 16 16 VAL HG21 H 1 0.897 0.010 . 1 . . . . 16 . . . 5939 1 137 . 1 1 16 16 VAL HG22 H 1 0.897 0.010 . 1 . . . . 16 . . . 5939 1 138 . 1 1 16 16 VAL HG23 H 1 0.897 0.010 . 1 . . . . 16 . . . 5939 1 139 . 1 1 16 16 VAL CA C 13 60.502 0.100 . 1 . . . . 16 . . . 5939 1 140 . 1 1 16 16 VAL CB C 13 33.268 0.100 . 1 . . . . 16 . . . 5939 1 141 . 1 1 16 16 VAL N N 15 116.482 0.050 . 1 . . . . 16 . . . 5939 1 142 . 1 1 17 17 ARG H H 1 8.589 0.010 . 1 . . . . 17 . . . 5939 1 143 . 1 1 17 17 ARG HA H 1 5.057 0.010 . 1 . . . . 17 . . . 5939 1 144 . 1 1 17 17 ARG HB2 H 1 1.687 0.010 . 2 . . . . 17 . . . 5939 1 145 . 1 1 17 17 ARG HB3 H 1 1.278 0.010 . 2 . . . . 17 . . . 5939 1 146 . 1 1 17 17 ARG HG2 H 1 1.228 0.010 . 2 . . . . 17 . . . 5939 1 147 . 1 1 17 17 ARG HG3 H 1 0.902 0.010 . 2 . . . . 17 . . . 5939 1 148 . 1 1 17 17 ARG HD2 H 1 2.304 0.010 . 2 . . . . 17 . . . 5939 1 149 . 1 1 17 17 ARG HD3 H 1 1.902 0.010 . 2 . . . . 17 . . . 5939 1 150 . 1 1 17 17 ARG CA C 13 57.185 0.100 . 1 . . . . 17 . . . 5939 1 151 . 1 1 17 17 ARG CB C 13 33.752 0.100 . 1 . . . . 17 . . . 5939 1 152 . 1 1 17 17 ARG CG C 13 27.692 0.100 . 1 . . . . 17 . . . 5939 1 153 . 1 1 17 17 ARG CD C 13 43.660 0.100 . 1 . . . . 17 . . . 5939 1 154 . 1 1 17 17 ARG N N 15 129.309 0.050 . 1 . . . . 17 . . . 5939 1 155 . 1 1 18 18 VAL H H 1 9.244 0.010 . 1 . . . . 18 . . . 5939 1 156 . 1 1 18 18 VAL HA H 1 4.897 0.010 . 1 . . . . 18 . . . 5939 1 157 . 1 1 18 18 VAL HB H 1 2.422 0.010 . 1 . . . . 18 . . . 5939 1 158 . 1 1 18 18 VAL HG11 H 1 1.026 0.010 . 1 . . . . 18 . . . 5939 1 159 . 1 1 18 18 VAL HG12 H 1 1.026 0.010 . 1 . . . . 18 . . . 5939 1 160 . 1 1 18 18 VAL HG13 H 1 1.026 0.010 . 1 . . . . 18 . . . 5939 1 161 . 1 1 18 18 VAL HG21 H 1 1.026 0.010 . 1 . . . . 18 . . . 5939 1 162 . 1 1 18 18 VAL HG22 H 1 1.026 0.010 . 1 . . . . 18 . . . 5939 1 163 . 1 1 18 18 VAL HG23 H 1 1.026 0.010 . 1 . . . . 18 . . . 5939 1 164 . 1 1 18 18 VAL CA C 13 58.897 0.100 . 1 . . . . 18 . . . 5939 1 165 . 1 1 18 18 VAL CB C 13 36.978 0.100 . 1 . . . . 18 . . . 5939 1 166 . 1 1 18 18 VAL CG1 C 13 21.977 0.100 . 2 . . . . 18 . . . 5939 1 167 . 1 1 18 18 VAL CG2 C 13 18.838 0.100 . 2 . . . . 18 . . . 5939 1 168 . 1 1 18 18 VAL N N 15 118.396 0.050 . 1 . . . . 18 . . . 5939 1 169 . 1 1 19 19 LYS H H 1 8.687 0.010 . 1 . . . . 19 . . . 5939 1 170 . 1 1 19 19 LYS HA H 1 5.296 0.010 . 1 . . . . 19 . . . 5939 1 171 . 1 1 19 19 LYS HB2 H 1 1.760 0.010 . 1 . . . . 19 . . . 5939 1 172 . 1 1 19 19 LYS HB3 H 1 1.760 0.010 . 1 . . . . 19 . . . 5939 1 173 . 1 1 19 19 LYS HG2 H 1 1.513 0.010 . 1 . . . . 19 . . . 5939 1 174 . 1 1 19 19 LYS HG3 H 1 1.513 0.010 . 1 . . . . 19 . . . 5939 1 175 . 1 1 19 19 LYS CA C 13 55.382 0.100 . 1 . . . . 19 . . . 5939 1 176 . 1 1 19 19 LYS CB C 13 33.143 0.100 . 1 . . . . 19 . . . 5939 1 177 . 1 1 19 19 LYS CG C 13 25.902 0.100 . 1 . . . . 19 . . . 5939 1 178 . 1 1 19 19 LYS CD C 13 29.357 0.100 . 1 . . . . 19 . . . 5939 1 179 . 1 1 19 19 LYS N N 15 121.322 0.050 . 1 . . . . 19 . . . 5939 1 180 . 1 1 20 20 ALA H H 1 9.104 0.010 . 1 . . . . 20 . . . 5939 1 181 . 1 1 20 20 ALA HA H 1 4.608 0.010 . 1 . . . . 20 . . . 5939 1 182 . 1 1 20 20 ALA HB1 H 1 0.760 0.010 . 1 . . . . 20 . . . 5939 1 183 . 1 1 20 20 ALA HB2 H 1 0.760 0.010 . 1 . . . . 20 . . . 5939 1 184 . 1 1 20 20 ALA HB3 H 1 0.760 0.010 . 1 . . . . 20 . . . 5939 1 185 . 1 1 20 20 ALA CA C 13 51.237 0.100 . 1 . . . . 20 . . . 5939 1 186 . 1 1 20 20 ALA CB C 13 24.272 0.100 . 1 . . . . 20 . . . 5939 1 187 . 1 1 20 20 ALA N N 15 123.330 0.050 . 1 . . . . 20 . . . 5939 1 188 . 1 1 21 21 VAL H H 1 8.438 0.010 . 1 . . . . 21 . . . 5939 1 189 . 1 1 21 21 VAL HA H 1 4.229 0.010 . 1 . . . . 21 . . . 5939 1 190 . 1 1 21 21 VAL HB H 1 1.849 0.010 . 1 . . . . 21 . . . 5939 1 191 . 1 1 21 21 VAL HG11 H 1 0.836 0.010 . 1 . . . . 21 . . . 5939 1 192 . 1 1 21 21 VAL HG12 H 1 0.836 0.010 . 1 . . . . 21 . . . 5939 1 193 . 1 1 21 21 VAL HG13 H 1 0.836 0.010 . 1 . . . . 21 . . . 5939 1 194 . 1 1 21 21 VAL HG21 H 1 0.836 0.010 . 1 . . . . 21 . . . 5939 1 195 . 1 1 21 21 VAL HG22 H 1 0.836 0.010 . 1 . . . . 21 . . . 5939 1 196 . 1 1 21 21 VAL HG23 H 1 0.836 0.010 . 1 . . . . 21 . . . 5939 1 197 . 1 1 21 21 VAL CA C 13 61.613 0.100 . 1 . . . . 21 . . . 5939 1 198 . 1 1 21 21 VAL CB C 13 33.941 0.100 . 1 . . . . 21 . . . 5939 1 199 . 1 1 21 21 VAL N N 15 119.889 0.050 . 1 . . . . 21 . . . 5939 1 200 . 1 1 22 22 VAL H H 1 8.624 0.010 . 1 . . . . 22 . . . 5939 1 201 . 1 1 22 22 VAL HA H 1 4.030 0.010 . 1 . . . . 22 . . . 5939 1 202 . 1 1 22 22 VAL HB H 1 1.852 0.010 . 1 . . . . 22 . . . 5939 1 203 . 1 1 22 22 VAL HG11 H 1 0.643 0.010 . 1 . . . . 22 . . . 5939 1 204 . 1 1 22 22 VAL HG12 H 1 0.643 0.010 . 1 . . . . 22 . . . 5939 1 205 . 1 1 22 22 VAL HG13 H 1 0.643 0.010 . 1 . . . . 22 . . . 5939 1 206 . 1 1 22 22 VAL HG21 H 1 0.643 0.010 . 1 . . . . 22 . . . 5939 1 207 . 1 1 22 22 VAL HG22 H 1 0.643 0.010 . 1 . . . . 22 . . . 5939 1 208 . 1 1 22 22 VAL HG23 H 1 0.643 0.010 . 1 . . . . 22 . . . 5939 1 209 . 1 1 22 22 VAL CA C 13 63.943 0.100 . 1 . . . . 22 . . . 5939 1 210 . 1 1 22 22 VAL CB C 13 31.638 0.100 . 1 . . . . 22 . . . 5939 1 211 . 1 1 22 22 VAL N N 15 127.991 0.050 . 1 . . . . 22 . . . 5939 1 212 . 1 1 23 23 MET H H 1 8.681 0.010 . 1 . . . . 23 . . . 5939 1 213 . 1 1 23 23 MET HA H 1 5.292 0.010 . 1 . . . . 23 . . . 5939 1 214 . 1 1 23 23 MET HB2 H 1 1.962 0.010 . 2 . . . . 23 . . . 5939 1 215 . 1 1 23 23 MET HB3 H 1 1.502 0.010 . 2 . . . . 23 . . . 5939 1 216 . 1 1 23 23 MET HG2 H 1 2.585 0.010 . 2 . . . . 23 . . . 5939 1 217 . 1 1 23 23 MET HG3 H 1 2.179 0.010 . 2 . . . . 23 . . . 5939 1 218 . 1 1 23 23 MET HE1 H 1 1.429 0.010 . 1 . . . . 23 . . . 5939 1 219 . 1 1 23 23 MET HE2 H 1 1.429 0.010 . 1 . . . . 23 . . . 5939 1 220 . 1 1 23 23 MET HE3 H 1 1.429 0.010 . 1 . . . . 23 . . . 5939 1 221 . 1 1 23 23 MET CA C 13 52.417 0.100 . 1 . . . . 23 . . . 5939 1 222 . 1 1 23 23 MET CB C 13 34.319 0.100 . 1 . . . . 23 . . . 5939 1 223 . 1 1 23 23 MET CG C 13 31.990 0.100 . 1 . . . . 23 . . . 5939 1 224 . 1 1 23 23 MET CE C 13 16.054 0.100 . 1 . . . . 23 . . . 5939 1 225 . 1 1 23 23 MET N N 15 126.385 0.050 . 1 . . . . 23 . . . 5939 1 226 . 1 1 24 24 THR H H 1 9.473 0.010 . 1 . . . . 24 . . . 5939 1 227 . 1 1 24 24 THR HA H 1 4.663 0.010 . 1 . . . . 24 . . . 5939 1 228 . 1 1 24 24 THR HB H 1 3.719 0.010 . 1 . . . . 24 . . . 5939 1 229 . 1 1 24 24 THR HG21 H 1 0.897 0.010 . 1 . . . . 24 . . . 5939 1 230 . 1 1 24 24 THR HG22 H 1 0.897 0.010 . 1 . . . . 24 . . . 5939 1 231 . 1 1 24 24 THR HG23 H 1 0.897 0.010 . 1 . . . . 24 . . . 5939 1 232 . 1 1 24 24 THR CA C 13 60.115 0.100 . 1 . . . . 24 . . . 5939 1 233 . 1 1 24 24 THR CB C 13 70.973 0.100 . 1 . . . . 24 . . . 5939 1 234 . 1 1 24 24 THR CG2 C 13 20.638 0.100 . 1 . . . . 24 . . . 5939 1 235 . 1 1 24 24 THR N N 15 117.192 0.050 . 1 . . . . 24 . . . 5939 1 236 . 1 1 25 25 ARG H H 1 7.883 0.010 . 1 . . . . 25 . . . 5939 1 237 . 1 1 25 25 ARG HA H 1 3.793 0.010 . 1 . . . . 25 . . . 5939 1 238 . 1 1 25 25 ARG HB2 H 1 0.771 0.010 . 1 . . . . 25 . . . 5939 1 239 . 1 1 25 25 ARG HB3 H 1 0.771 0.010 . 1 . . . . 25 . . . 5939 1 240 . 1 1 25 25 ARG HG2 H 1 0.439 0.010 . 1 . . . . 25 . . . 5939 1 241 . 1 1 25 25 ARG HG3 H 1 0.439 0.010 . 1 . . . . 25 . . . 5939 1 242 . 1 1 25 25 ARG HD2 H 1 2.031 0.010 . 2 . . . . 25 . . . 5939 1 243 . 1 1 25 25 ARG HD3 H 1 1.904 0.010 . 2 . . . . 25 . . . 5939 1 244 . 1 1 25 25 ARG CA C 13 54.662 0.100 . 1 . . . . 25 . . . 5939 1 245 . 1 1 25 25 ARG CB C 13 30.559 0.100 . 1 . . . . 25 . . . 5939 1 246 . 1 1 25 25 ARG CG C 13 26.899 0.100 . 1 . . . . 25 . . . 5939 1 247 . 1 1 25 25 ARG CD C 13 42.771 0.100 . 1 . . . . 25 . . . 5939 1 248 . 1 1 25 25 ARG N N 15 126.271 0.050 . 1 . . . . 25 . . . 5939 1 249 . 1 1 26 26 ASP H H 1 8.684 0.010 . 1 . . . . 26 . . . 5939 1 250 . 1 1 26 26 ASP HA H 1 4.606 0.010 . 1 . . . . 26 . . . 5939 1 251 . 1 1 26 26 ASP HB2 H 1 2.744 0.010 . 2 . . . . 26 . . . 5939 1 252 . 1 1 26 26 ASP HB3 H 1 2.472 0.010 . 2 . . . . 26 . . . 5939 1 253 . 1 1 26 26 ASP CA C 13 52.533 0.100 . 1 . . . . 26 . . . 5939 1 254 . 1 1 26 26 ASP CB C 13 41.948 0.100 . 1 . . . . 26 . . . 5939 1 255 . 1 1 26 26 ASP N N 15 126.594 0.050 . 1 . . . . 26 . . . 5939 1 256 . 1 1 27 27 ASP H H 1 8.729 0.010 . 1 . . . . 27 . . . 5939 1 257 . 1 1 27 27 ASP HA H 1 4.227 0.010 . 1 . . . . 27 . . . 5939 1 258 . 1 1 27 27 ASP HB2 H 1 2.502 0.010 . 1 . . . . 27 . . . 5939 1 259 . 1 1 27 27 ASP HB3 H 1 2.502 0.010 . 1 . . . . 27 . . . 5939 1 260 . 1 1 27 27 ASP CA C 13 56.710 0.100 . 1 . . . . 27 . . . 5939 1 261 . 1 1 27 27 ASP CB C 13 40.660 0.100 . 1 . . . . 27 . . . 5939 1 262 . 1 1 27 27 ASP N N 15 125.361 0.050 . 1 . . . . 27 . . . 5939 1 263 . 1 1 28 28 SER H H 1 8.369 0.010 . 1 . . . . 28 . . . 5939 1 264 . 1 1 28 28 SER HA H 1 4.258 0.010 . 1 . . . . 28 . . . 5939 1 265 . 1 1 28 28 SER HB2 H 1 3.868 0.010 . 1 . . . . 28 . . . 5939 1 266 . 1 1 28 28 SER HB3 H 1 3.868 0.010 . 1 . . . . 28 . . . 5939 1 267 . 1 1 28 28 SER CA C 13 60.711 0.100 . 1 . . . . 28 . . . 5939 1 268 . 1 1 28 28 SER CB C 13 63.059 0.100 . 1 . . . . 28 . . . 5939 1 269 . 1 1 28 28 SER N N 15 114.797 0.050 . 1 . . . . 28 . . . 5939 1 270 . 1 1 29 29 SER H H 1 7.738 0.010 . 1 . . . . 29 . . . 5939 1 271 . 1 1 29 29 SER HA H 1 4.442 0.010 . 1 . . . . 29 . . . 5939 1 272 . 1 1 29 29 SER HB2 H 1 3.837 0.010 . 1 . . . . 29 . . . 5939 1 273 . 1 1 29 29 SER HB3 H 1 3.837 0.010 . 1 . . . . 29 . . . 5939 1 274 . 1 1 29 29 SER CA C 13 58.598 0.100 . 1 . . . . 29 . . . 5939 1 275 . 1 1 29 29 SER CB C 13 65.086 0.100 . 1 . . . . 29 . . . 5939 1 276 . 1 1 29 29 SER N N 15 114.397 0.050 . 1 . . . . 29 . . . 5939 1 277 . 1 1 30 30 GLY H H 1 8.214 0.010 . 1 . . . . 30 . . . 5939 1 278 . 1 1 30 30 GLY HA2 H 1 4.043 0.010 . 2 . . . . 30 . . . 5939 1 279 . 1 1 30 30 GLY HA3 H 1 3.444 0.010 . 2 . . . . 30 . . . 5939 1 280 . 1 1 30 30 GLY CA C 13 45.670 0.100 . 1 . . . . 30 . . . 5939 1 281 . 1 1 30 30 GLY N N 15 112.081 0.050 . 1 . . . . 30 . . . 5939 1 282 . 1 1 31 31 GLY H H 1 7.885 0.010 . 1 . . . . 31 . . . 5939 1 283 . 1 1 31 31 GLY HA2 H 1 4.054 0.010 . 2 . . . . 31 . . . 5939 1 284 . 1 1 31 31 GLY HA3 H 1 3.560 0.010 . 2 . . . . 31 . . . 5939 1 285 . 1 1 31 31 GLY CA C 13 44.598 0.100 . 1 . . . . 31 . . . 5939 1 286 . 1 1 31 31 GLY N N 15 107.241 0.050 . 1 . . . . 31 . . . 5939 1 287 . 1 1 32 32 TRP H H 1 8.078 0.010 . 1 . . . . 32 . . . 5939 1 288 . 1 1 32 32 TRP HA H 1 4.977 0.010 . 1 . . . . 32 . . . 5939 1 289 . 1 1 32 32 TRP HB2 H 1 2.512 0.010 . 1 . . . . 32 . . . 5939 1 290 . 1 1 32 32 TRP HB3 H 1 2.512 0.010 . 1 . . . . 32 . . . 5939 1 291 . 1 1 32 32 TRP HD1 H 1 7.055 0.010 . 1 . . . . 32 . . . 5939 1 292 . 1 1 32 32 TRP HE1 H 1 9.840 0.010 . 1 . . . . 32 . . . 5939 1 293 . 1 1 32 32 TRP HE3 H 1 6.864 0.010 . 1 . . . . 32 . . . 5939 1 294 . 1 1 32 32 TRP HZ2 H 1 6.535 0.010 . 1 . . . . 32 . . . 5939 1 295 . 1 1 32 32 TRP HZ3 H 1 6.432 0.010 . 1 . . . . 32 . . . 5939 1 296 . 1 1 32 32 TRP HH2 H 1 6.582 0.010 . 1 . . . . 32 . . . 5939 1 297 . 1 1 32 32 TRP CA C 13 55.849 0.100 . 1 . . . . 32 . . . 5939 1 298 . 1 1 32 32 TRP CB C 13 31.271 0.100 . 1 . . . . 32 . . . 5939 1 299 . 1 1 32 32 TRP CD1 C 13 127.338 0.100 . 1 . . . . 32 . . . 5939 1 300 . 1 1 32 32 TRP CE3 C 13 119.663 0.100 . 1 . . . . 32 . . . 5939 1 301 . 1 1 32 32 TRP CZ2 C 13 113.696 0.100 . 1 . . . . 32 . . . 5939 1 302 . 1 1 32 32 TRP CZ3 C 13 120.914 0.100 . 1 . . . . 32 . . . 5939 1 303 . 1 1 32 32 TRP CH2 C 13 124.585 0.100 . 1 . . . . 32 . . . 5939 1 304 . 1 1 32 32 TRP N N 15 119.683 0.050 . 1 . . . . 32 . . . 5939 1 305 . 1 1 32 32 TRP NE1 N 15 129.387 0.050 . 1 . . . . 32 . . . 5939 1 306 . 1 1 33 33 PHE H H 1 9.215 0.010 . 1 . . . . 33 . . . 5939 1 307 . 1 1 33 33 PHE HA H 1 4.990 0.010 . 1 . . . . 33 . . . 5939 1 308 . 1 1 33 33 PHE HB2 H 1 3.016 0.010 . 2 . . . . 33 . . . 5939 1 309 . 1 1 33 33 PHE HB3 H 1 2.796 0.010 . 2 . . . . 33 . . . 5939 1 310 . 1 1 33 33 PHE HD1 H 1 7.048 0.010 . 1 . . . . 33 . . . 5939 1 311 . 1 1 33 33 PHE HD2 H 1 7.048 0.010 . 1 . . . . 33 . . . 5939 1 312 . 1 1 33 33 PHE HE1 H 1 6.226 0.010 . 1 . . . . 33 . . . 5939 1 313 . 1 1 33 33 PHE HE2 H 1 6.226 0.010 . 1 . . . . 33 . . . 5939 1 314 . 1 1 33 33 PHE HZ H 1 4.586 0.010 . 1 . . . . 33 . . . 5939 1 315 . 1 1 33 33 PHE CA C 13 55.915 0.100 . 1 . . . . 33 . . . 5939 1 316 . 1 1 33 33 PHE CB C 13 40.583 0.100 . 1 . . . . 33 . . . 5939 1 317 . 1 1 33 33 PHE CZ C 13 128.160 0.100 . 1 . . . . 33 . . . 5939 1 318 . 1 1 33 33 PHE N N 15 120.523 0.050 . 1 . . . . 33 . . . 5939 1 319 . 1 1 34 34 PRO HA H 1 4.890 0.010 . 1 . . . . 34 . . . 5939 1 320 . 1 1 34 34 PRO HB2 H 1 1.825 0.010 . 2 . . . . 34 . . . 5939 1 321 . 1 1 34 34 PRO HB3 H 1 1.687 0.010 . 2 . . . . 34 . . . 5939 1 322 . 1 1 34 34 PRO HG2 H 1 2.081 0.010 . 1 . . . . 34 . . . 5939 1 323 . 1 1 34 34 PRO HG3 H 1 2.081 0.010 . 1 . . . . 34 . . . 5939 1 324 . 1 1 34 34 PRO CA C 13 63.281 0.100 . 1 . . . . 34 . . . 5939 1 325 . 1 1 34 34 PRO CB C 13 31.882 0.100 . 1 . . . . 34 . . . 5939 1 326 . 1 1 34 34 PRO CG C 13 28.040 0.100 . 1 . . . . 34 . . . 5939 1 327 . 1 1 35 35 GLN H H 1 8.561 0.010 . 1 . . . . 35 . . . 5939 1 328 . 1 1 35 35 GLN HA H 1 4.165 0.010 . 1 . . . . 35 . . . 5939 1 329 . 1 1 35 35 GLN HB2 H 1 1.793 0.010 . 1 . . . . 35 . . . 5939 1 330 . 1 1 35 35 GLN HB3 H 1 1.793 0.010 . 1 . . . . 35 . . . 5939 1 331 . 1 1 35 35 GLN HG2 H 1 2.366 0.010 . 2 . . . . 35 . . . 5939 1 332 . 1 1 35 35 GLN HG3 H 1 2.237 0.010 . 2 . . . . 35 . . . 5939 1 333 . 1 1 35 35 GLN HE21 H 1 7.671 0.010 . 1 . . . . 35 . . . 5939 1 334 . 1 1 35 35 GLN HE22 H 1 6.734 0.010 . 1 . . . . 35 . . . 5939 1 335 . 1 1 35 35 GLN CA C 13 29.921 0.100 . 1 . . . . 35 . . . 5939 1 336 . 1 1 35 35 GLN CB C 13 29.872 0.100 . 1 . . . . 35 . . . 5939 1 337 . 1 1 35 35 GLN CG C 13 33.318 0.100 . 1 . . . . 35 . . . 5939 1 338 . 1 1 35 35 GLN N N 15 125.567 0.050 . 1 . . . . 35 . . . 5939 1 339 . 1 1 35 35 GLN NE2 N 15 110.438 0.050 . 1 . . . . 35 . . . 5939 1 340 . 1 1 36 36 GLU H H 1 9.363 0.010 . 1 . . . . 36 . . . 5939 1 341 . 1 1 36 36 GLU HA H 1 4.019 0.010 . 1 . . . . 36 . . . 5939 1 342 . 1 1 36 36 GLU HB2 H 1 2.255 0.010 . 2 . . . . 36 . . . 5939 1 343 . 1 1 36 36 GLU HB3 H 1 1.875 0.010 . 2 . . . . 36 . . . 5939 1 344 . 1 1 36 36 GLU HG2 H 1 2.304 0.010 . 1 . . . . 36 . . . 5939 1 345 . 1 1 36 36 GLU HG3 H 1 2.304 0.010 . 1 . . . . 36 . . . 5939 1 346 . 1 1 36 36 GLU CA C 13 57.638 0.100 . 1 . . . . 36 . . . 5939 1 347 . 1 1 36 36 GLU CB C 13 28.358 0.100 . 1 . . . . 36 . . . 5939 1 348 . 1 1 36 36 GLU N N 15 127.240 0.050 . 1 . . . . 36 . . . 5939 1 349 . 1 1 37 37 GLY H H 1 8.344 0.010 . 1 . . . . 37 . . . 5939 1 350 . 1 1 37 37 GLY HA2 H 1 4.244 0.010 . 2 . . . . 37 . . . 5939 1 351 . 1 1 37 37 GLY HA3 H 1 3.681 0.010 . 2 . . . . 37 . . . 5939 1 352 . 1 1 37 37 GLY CA C 13 45.647 0.100 . 1 . . . . 37 . . . 5939 1 353 . 1 1 37 37 GLY N N 15 108.724 0.050 . 1 . . . . 37 . . . 5939 1 354 . 1 1 38 38 GLY H H 1 7.960 0.010 . 1 . . . . 38 . . . 5939 1 355 . 1 1 38 38 GLY HA2 H 1 4.019 0.010 . 2 . . . . 38 . . . 5939 1 356 . 1 1 38 38 GLY HA3 H 1 3.854 0.010 . 2 . . . . 38 . . . 5939 1 357 . 1 1 38 38 GLY CA C 13 45.927 0.100 . 1 . . . . 38 . . . 5939 1 358 . 1 1 38 38 GLY N N 15 107.718 0.050 . 1 . . . . 38 . . . 5939 1 359 . 1 1 39 39 GLY H H 1 8.198 0.010 . 1 . . . . 39 . . . 5939 1 360 . 1 1 39 39 GLY HA2 H 1 4.219 0.010 . 2 . . . . 39 . . . 5939 1 361 . 1 1 39 39 GLY HA3 H 1 3.781 0.010 . 2 . . . . 39 . . . 5939 1 362 . 1 1 39 39 GLY CA C 13 44.077 0.100 . 1 . . . . 39 . . . 5939 1 363 . 1 1 39 39 GLY N N 15 108.766 0.050 . 1 . . . . 39 . . . 5939 1 364 . 1 1 40 40 ILE H H 1 8.265 0.010 . 1 . . . . 40 . . . 5939 1 365 . 1 1 40 40 ILE HA H 1 3.982 0.010 . 1 . . . . 40 . . . 5939 1 366 . 1 1 40 40 ILE HB H 1 1.776 0.010 . 1 . . . . 40 . . . 5939 1 367 . 1 1 40 40 ILE HG12 H 1 0.766 0.010 . 1 . . . . 40 . . . 5939 1 368 . 1 1 40 40 ILE HG13 H 1 0.766 0.010 . 1 . . . . 40 . . . 5939 1 369 . 1 1 40 40 ILE HG21 H 1 0.800 0.010 . 1 . . . . 40 . . . 5939 1 370 . 1 1 40 40 ILE HG22 H 1 0.800 0.010 . 1 . . . . 40 . . . 5939 1 371 . 1 1 40 40 ILE HG23 H 1 0.800 0.010 . 1 . . . . 40 . . . 5939 1 372 . 1 1 40 40 ILE HD11 H 1 1.510 0.010 . 1 . . . . 40 . . . 5939 1 373 . 1 1 40 40 ILE HD12 H 1 1.510 0.010 . 1 . . . . 40 . . . 5939 1 374 . 1 1 40 40 ILE HD13 H 1 1.510 0.010 . 1 . . . . 40 . . . 5939 1 375 . 1 1 40 40 ILE CA C 13 60.560 0.100 . 1 . . . . 40 . . . 5939 1 376 . 1 1 40 40 ILE CB C 13 38.545 0.100 . 1 . . . . 40 . . . 5939 1 377 . 1 1 40 40 ILE CG1 C 13 28.158 0.100 . 1 . . . . 40 . . . 5939 1 378 . 1 1 40 40 ILE CG2 C 13 18.804 0.100 . 1 . . . . 40 . . . 5939 1 379 . 1 1 40 40 ILE N N 15 120.868 0.050 . 1 . . . . 40 . . . 5939 1 380 . 1 1 41 41 SER H H 1 9.064 0.010 . 1 . . . . 41 . . . 5939 1 381 . 1 1 41 41 SER HA H 1 5.164 0.010 . 1 . . . . 41 . . . 5939 1 382 . 1 1 41 41 SER HB2 H 1 3.464 0.010 . 2 . . . . 41 . . . 5939 1 383 . 1 1 41 41 SER HB3 H 1 3.155 0.010 . 2 . . . . 41 . . . 5939 1 384 . 1 1 41 41 SER CA C 13 58.845 0.100 . 1 . . . . 41 . . . 5939 1 385 . 1 1 41 41 SER CB C 13 65.708 0.100 . 1 . . . . 41 . . . 5939 1 386 . 1 1 41 41 SER N N 15 123.836 0.050 . 1 . . . . 41 . . . 5939 1 387 . 1 1 42 42 ARG H H 1 8.749 0.010 . 1 . . . . 42 . . . 5939 1 388 . 1 1 42 42 ARG HA H 1 4.932 0.010 . 1 . . . . 42 . . . 5939 1 389 . 1 1 42 42 ARG HB2 H 1 1.782 0.010 . 2 . . . . 42 . . . 5939 1 390 . 1 1 42 42 ARG HB3 H 1 1.599 0.010 . 2 . . . . 42 . . . 5939 1 391 . 1 1 42 42 ARG HG2 H 1 1.392 0.010 . 1 . . . . 42 . . . 5939 1 392 . 1 1 42 42 ARG HG3 H 1 1.392 0.010 . 1 . . . . 42 . . . 5939 1 393 . 1 1 42 42 ARG HD2 H 1 3.017 0.010 . 1 . . . . 42 . . . 5939 1 394 . 1 1 42 42 ARG HD3 H 1 3.017 0.010 . 1 . . . . 42 . . . 5939 1 395 . 1 1 42 42 ARG CA C 13 55.918 0.100 . 1 . . . . 42 . . . 5939 1 396 . 1 1 42 42 ARG CB C 13 31.314 0.100 . 1 . . . . 42 . . . 5939 1 397 . 1 1 42 42 ARG CG C 13 27.546 0.100 . 1 . . . . 42 . . . 5939 1 398 . 1 1 42 42 ARG CD C 13 43.786 0.100 . 1 . . . . 42 . . . 5939 1 399 . 1 1 42 42 ARG N N 15 121.140 0.050 . 1 . . . . 42 . . . 5939 1 400 . 1 1 43 43 VAL H H 1 9.738 0.010 . 1 . . . . 43 . . . 5939 1 401 . 1 1 43 43 VAL HA H 1 5.268 0.010 . 1 . . . . 43 . . . 5939 1 402 . 1 1 43 43 VAL HB H 1 1.645 0.010 . 1 . . . . 43 . . . 5939 1 403 . 1 1 43 43 VAL HG11 H 1 0.794 0.010 . 1 . . . . 43 . . . 5939 1 404 . 1 1 43 43 VAL HG12 H 1 0.794 0.010 . 1 . . . . 43 . . . 5939 1 405 . 1 1 43 43 VAL HG13 H 1 0.794 0.010 . 1 . . . . 43 . . . 5939 1 406 . 1 1 43 43 VAL HG21 H 1 0.794 0.010 . 1 . . . . 43 . . . 5939 1 407 . 1 1 43 43 VAL HG22 H 1 0.794 0.010 . 1 . . . . 43 . . . 5939 1 408 . 1 1 43 43 VAL HG23 H 1 0.794 0.010 . 1 . . . . 43 . . . 5939 1 409 . 1 1 43 43 VAL CA C 13 60.274 0.100 . 1 . . . . 43 . . . 5939 1 410 . 1 1 43 43 VAL CB C 13 34.657 0.100 . 1 . . . . 43 . . . 5939 1 411 . 1 1 43 43 VAL N N 15 127.875 0.050 . 1 . . . . 43 . . . 5939 1 412 . 1 1 44 44 GLY H H 1 8.813 0.010 . 1 . . . . 44 . . . 5939 1 413 . 1 1 44 44 GLY HA2 H 1 5.031 0.010 . 2 . . . . 44 . . . 5939 1 414 . 1 1 44 44 GLY HA3 H 1 4.649 0.010 . 2 . . . . 44 . . . 5939 1 415 . 1 1 44 44 GLY CA C 13 46.619 0.100 . 1 . . . . 44 . . . 5939 1 416 . 1 1 44 44 GLY N N 15 111.346 0.050 . 1 . . . . 44 . . . 5939 1 417 . 1 1 45 45 VAL H H 1 7.715 0.010 . 1 . . . . 45 . . . 5939 1 418 . 1 1 45 45 VAL HA H 1 5.022 0.010 . 1 . . . . 45 . . . 5939 1 419 . 1 1 45 45 VAL HB H 1 1.601 0.010 . 1 . . . . 45 . . . 5939 1 420 . 1 1 45 45 VAL HG11 H 1 0.201 0.010 . 1 . . . . 45 . . . 5939 1 421 . 1 1 45 45 VAL HG12 H 1 0.201 0.010 . 1 . . . . 45 . . . 5939 1 422 . 1 1 45 45 VAL HG13 H 1 0.201 0.010 . 1 . . . . 45 . . . 5939 1 423 . 1 1 45 45 VAL HG21 H 1 0.201 0.010 . 1 . . . . 45 . . . 5939 1 424 . 1 1 45 45 VAL HG22 H 1 0.201 0.010 . 1 . . . . 45 . . . 5939 1 425 . 1 1 45 45 VAL HG23 H 1 0.201 0.010 . 1 . . . . 45 . . . 5939 1 426 . 1 1 45 45 VAL CA C 13 60.594 0.100 . 1 . . . . 45 . . . 5939 1 427 . 1 1 45 45 VAL CB C 13 33.395 0.100 . 1 . . . . 45 . . . 5939 1 428 . 1 1 45 45 VAL N N 15 118.968 0.050 . 1 . . . . 45 . . . 5939 1 429 . 1 1 46 46 CYS H H 1 9.805 0.010 . 1 . . . . 46 . . . 5939 1 430 . 1 1 46 46 CYS HA H 1 5.210 0.010 . 1 . . . . 46 . . . 5939 1 431 . 1 1 46 46 CYS HB2 H 1 2.255 0.010 . 2 . . . . 46 . . . 5939 1 432 . 1 1 46 46 CYS HB3 H 1 1.488 0.010 . 2 . . . . 46 . . . 5939 1 433 . 1 1 46 46 CYS CA C 13 54.751 0.100 . 1 . . . . 46 . . . 5939 1 434 . 1 1 46 46 CYS CB C 13 30.823 0.100 . 1 . . . . 46 . . . 5939 1 435 . 1 1 46 46 CYS N N 15 124.958 0.050 . 1 . . . . 46 . . . 5939 1 436 . 1 1 47 47 LYS H H 1 8.137 0.010 . 1 . . . . 47 . . . 5939 1 437 . 1 1 47 47 LYS HA H 1 4.253 0.010 . 1 . . . . 47 . . . 5939 1 438 . 1 1 47 47 LYS HB2 H 1 1.612 0.010 . 2 . . . . 47 . . . 5939 1 439 . 1 1 47 47 LYS HB3 H 1 1.463 0.010 . 2 . . . . 47 . . . 5939 1 440 . 1 1 47 47 LYS HG2 H 1 1.048 0.010 . 1 . . . . 47 . . . 5939 1 441 . 1 1 47 47 LYS HG3 H 1 1.048 0.010 . 1 . . . . 47 . . . 5939 1 442 . 1 1 47 47 LYS HE2 H 1 2.791 0.010 . 1 . . . . 47 . . . 5939 1 443 . 1 1 47 47 LYS HE3 H 1 2.791 0.010 . 1 . . . . 47 . . . 5939 1 444 . 1 1 47 47 LYS CA C 13 56.033 0.100 . 1 . . . . 47 . . . 5939 1 445 . 1 1 47 47 LYS CB C 13 33.822 0.100 . 1 . . . . 47 . . . 5939 1 446 . 1 1 47 47 LYS CG C 13 24.986 0.100 . 1 . . . . 47 . . . 5939 1 447 . 1 1 47 47 LYS CD C 13 29.327 0.100 . 1 . . . . 47 . . . 5939 1 448 . 1 1 47 47 LYS CE C 13 45.312 0.100 . 1 . . . . 47 . . . 5939 1 449 . 1 1 47 47 LYS N N 15 123.343 0.050 . 1 . . . . 47 . . . 5939 1 450 . 1 1 48 48 VAL H H 1 8.025 0.010 . 1 . . . . 48 . . . 5939 1 451 . 1 1 48 48 VAL HA H 1 4.187 0.010 . 1 . . . . 48 . . . 5939 1 452 . 1 1 48 48 VAL HB H 1 1.829 0.010 . 1 . . . . 48 . . . 5939 1 453 . 1 1 48 48 VAL HG11 H 1 0.656 0.010 . 1 . . . . 48 . . . 5939 1 454 . 1 1 48 48 VAL HG12 H 1 0.656 0.010 . 1 . . . . 48 . . . 5939 1 455 . 1 1 48 48 VAL HG13 H 1 0.656 0.010 . 1 . . . . 48 . . . 5939 1 456 . 1 1 48 48 VAL HG21 H 1 0.656 0.010 . 1 . . . . 48 . . . 5939 1 457 . 1 1 48 48 VAL HG22 H 1 0.656 0.010 . 1 . . . . 48 . . . 5939 1 458 . 1 1 48 48 VAL HG23 H 1 0.656 0.010 . 1 . . . . 48 . . . 5939 1 459 . 1 1 48 48 VAL CA C 13 60.615 0.100 . 1 . . . . 48 . . . 5939 1 460 . 1 1 48 48 VAL CB C 13 34.605 0.100 . 1 . . . . 48 . . . 5939 1 461 . 1 1 48 48 VAL N N 15 122.466 0.050 . 1 . . . . 48 . . . 5939 1 462 . 1 1 49 49 MET H H 1 8.459 0.010 . 1 . . . . 49 . . . 5939 1 463 . 1 1 49 49 MET HA H 1 4.436 0.010 . 1 . . . . 49 . . . 5939 1 464 . 1 1 49 49 MET HB2 H 1 1.817 0.010 . 1 . . . . 49 . . . 5939 1 465 . 1 1 49 49 MET HB3 H 1 1.817 0.010 . 1 . . . . 49 . . . 5939 1 466 . 1 1 49 49 MET HG2 H 1 2.484 0.010 . 2 . . . . 49 . . . 5939 1 467 . 1 1 49 49 MET HG3 H 1 2.430 0.010 . 2 . . . . 49 . . . 5939 1 468 . 1 1 49 49 MET CA C 13 55.037 0.100 . 1 . . . . 49 . . . 5939 1 469 . 1 1 49 49 MET CB C 13 32.365 0.100 . 1 . . . . 49 . . . 5939 1 470 . 1 1 49 49 MET N N 15 123.907 0.050 . 1 . . . . 49 . . . 5939 1 471 . 1 1 50 50 HIS H H 1 8.448 0.010 . 1 . . . . 50 . . . 5939 1 472 . 1 1 50 50 HIS HA H 1 4.680 0.010 . 1 . . . . 50 . . . 5939 1 473 . 1 1 50 50 HIS HB2 H 1 3.018 0.010 . 2 . . . . 50 . . . 5939 1 474 . 1 1 50 50 HIS HB3 H 1 2.856 0.010 . 2 . . . . 50 . . . 5939 1 475 . 1 1 50 50 HIS HD2 H 1 7.018 0.010 . 1 . . . . 50 . . . 5939 1 476 . 1 1 50 50 HIS CA C 13 54.348 0.100 . 1 . . . . 50 . . . 5939 1 477 . 1 1 50 50 HIS CB C 13 30.322 0.100 . 1 . . . . 50 . . . 5939 1 478 . 1 1 50 50 HIS CD2 C 13 119.295 0.100 . 1 . . . . 50 . . . 5939 1 479 . 1 1 50 50 HIS N N 15 121.348 0.050 . 1 . . . . 50 . . . 5939 1 480 . 1 1 51 51 PRO HA H 1 4.264 0.010 . 1 . . . . 51 . . . 5939 1 481 . 1 1 51 51 PRO HB2 H 1 2.086 0.010 . 1 . . . . 51 . . . 5939 1 482 . 1 1 51 51 PRO HB3 H 1 2.086 0.010 . 1 . . . . 51 . . . 5939 1 483 . 1 1 51 51 PRO HG2 H 1 1.817 0.010 . 1 . . . . 51 . . . 5939 1 484 . 1 1 51 51 PRO HG3 H 1 1.817 0.010 . 1 . . . . 51 . . . 5939 1 485 . 1 1 51 51 PRO HD2 H 1 3.464 0.010 . 2 . . . . 51 . . . 5939 1 486 . 1 1 51 51 PRO HD3 H 1 3.238 0.010 . 2 . . . . 51 . . . 5939 1 487 . 1 1 51 51 PRO CA C 13 64.249 0.100 . 1 . . . . 51 . . . 5939 1 488 . 1 1 51 51 PRO CB C 13 31.861 0.100 . 1 . . . . 51 . . . 5939 1 489 . 1 1 51 51 PRO CG C 13 27.314 0.100 . 1 . . . . 51 . . . 5939 1 490 . 1 1 51 51 PRO CD C 13 50.784 0.100 . 1 . . . . 51 . . . 5939 1 491 . 1 1 52 52 GLU H H 1 9.169 0.010 . 1 . . . . 52 . . . 5939 1 492 . 1 1 52 52 GLU HA H 1 4.231 0.010 . 1 . . . . 52 . . . 5939 1 493 . 1 1 52 52 GLU HB2 H 1 1.948 0.010 . 1 . . . . 52 . . . 5939 1 494 . 1 1 52 52 GLU HB3 H 1 1.948 0.010 . 1 . . . . 52 . . . 5939 1 495 . 1 1 52 52 GLU HG2 H 1 2.195 0.010 . 1 . . . . 52 . . . 5939 1 496 . 1 1 52 52 GLU HG3 H 1 2.195 0.010 . 1 . . . . 52 . . . 5939 1 497 . 1 1 52 52 GLU CA C 13 56.859 0.100 . 1 . . . . 52 . . . 5939 1 498 . 1 1 52 52 GLU CB C 13 29.509 0.100 . 1 . . . . 52 . . . 5939 1 499 . 1 1 52 52 GLU CG C 13 36.590 0.100 . 1 . . . . 52 . . . 5939 1 500 . 1 1 52 52 GLU N N 15 119.803 0.050 . 1 . . . . 52 . . . 5939 1 501 . 1 1 53 53 GLY H H 1 8.231 0.010 . 1 . . . . 53 . . . 5939 1 502 . 1 1 53 53 GLY HA2 H 1 4.019 0.010 . 2 . . . . 53 . . . 5939 1 503 . 1 1 53 53 GLY HA3 H 1 3.854 0.010 . 2 . . . . 53 . . . 5939 1 504 . 1 1 53 53 GLY CA C 13 45.752 0.100 . 1 . . . . 53 . . . 5939 1 505 . 1 1 53 53 GLY N N 15 108.683 0.050 . 1 . . . . 53 . . . 5939 1 506 . 1 1 54 54 ASN H H 1 8.412 0.010 . 1 . . . . 54 . . . 5939 1 507 . 1 1 54 54 ASN HA H 1 4.568 0.010 . 1 . . . . 54 . . . 5939 1 508 . 1 1 54 54 ASN HB2 H 1 2.748 0.010 . 1 . . . . 54 . . . 5939 1 509 . 1 1 54 54 ASN HB3 H 1 2.748 0.010 . 1 . . . . 54 . . . 5939 1 510 . 1 1 54 54 ASN HD21 H 1 7.496 0.010 . 1 . . . . 54 . . . 5939 1 511 . 1 1 54 54 ASN HD22 H 1 6.775 0.010 . 1 . . . . 54 . . . 5939 1 512 . 1 1 54 54 ASN CA C 13 53.679 0.100 . 1 . . . . 54 . . . 5939 1 513 . 1 1 54 54 ASN CB C 13 38.603 0.100 . 1 . . . . 54 . . . 5939 1 514 . 1 1 54 54 ASN N N 15 118.580 0.050 . 1 . . . . 54 . . . 5939 1 515 . 1 1 54 54 ASN ND2 N 15 112.346 0.050 . 1 . . . . 54 . . . 5939 1 516 . 1 1 55 55 GLY H H 1 8.405 0.010 . 1 . . . . 55 . . . 5939 1 517 . 1 1 55 55 GLY HA2 H 1 3.945 0.010 . 2 . . . . 55 . . . 5939 1 518 . 1 1 55 55 GLY HA3 H 1 3.731 0.010 . 2 . . . . 55 . . . 5939 1 519 . 1 1 55 55 GLY CA C 13 45.390 0.100 . 1 . . . . 55 . . . 5939 1 520 . 1 1 55 55 GLY N N 15 107.739 0.050 . 1 . . . . 55 . . . 5939 1 521 . 1 1 56 56 ARG H H 1 7.776 0.010 . 1 . . . . 56 . . . 5939 1 522 . 1 1 56 56 ARG HA H 1 4.238 0.010 . 1 . . . . 56 . . . 5939 1 523 . 1 1 56 56 ARG HB2 H 1 1.745 0.010 . 2 . . . . 56 . . . 5939 1 524 . 1 1 56 56 ARG HB3 H 1 1.573 0.010 . 2 . . . . 56 . . . 5939 1 525 . 1 1 56 56 ARG HD2 H 1 3.050 0.010 . 1 . . . . 56 . . . 5939 1 526 . 1 1 56 56 ARG HD3 H 1 3.050 0.010 . 1 . . . . 56 . . . 5939 1 527 . 1 1 56 56 ARG CA C 13 55.966 0.100 . 1 . . . . 56 . . . 5939 1 528 . 1 1 56 56 ARG CB C 13 31.196 0.100 . 1 . . . . 56 . . . 5939 1 529 . 1 1 56 56 ARG CG C 13 27.209 0.100 . 1 . . . . 56 . . . 5939 1 530 . 1 1 56 56 ARG CD C 13 43.686 0.100 . 1 . . . . 56 . . . 5939 1 531 . 1 1 56 56 ARG N N 15 120.180 0.050 . 1 . . . . 56 . . . 5939 1 532 . 1 1 57 57 SER H H 1 8.316 0.010 . 1 . . . . 57 . . . 5939 1 533 . 1 1 57 57 SER HA H 1 4.677 0.010 . 1 . . . . 57 . . . 5939 1 534 . 1 1 57 57 SER HB2 H 1 3.732 0.010 . 1 . . . . 57 . . . 5939 1 535 . 1 1 57 57 SER HB3 H 1 3.732 0.010 . 1 . . . . 57 . . . 5939 1 536 . 1 1 57 57 SER CA C 13 57.858 0.100 . 1 . . . . 57 . . . 5939 1 537 . 1 1 57 57 SER CB C 13 65.212 0.100 . 1 . . . . 57 . . . 5939 1 538 . 1 1 57 57 SER N N 15 117.244 0.050 . 1 . . . . 57 . . . 5939 1 539 . 1 1 58 58 GLY H H 1 8.354 0.010 . 1 . . . . 58 . . . 5939 1 540 . 1 1 58 58 GLY HA2 H 1 4.164 0.010 . 2 . . . . 58 . . . 5939 1 541 . 1 1 58 58 GLY HA3 H 1 3.746 0.010 . 2 . . . . 58 . . . 5939 1 542 . 1 1 58 58 GLY CA C 13 44.665 0.100 . 1 . . . . 58 . . . 5939 1 543 . 1 1 58 58 GLY N N 15 108.459 0.050 . 1 . . . . 58 . . . 5939 1 544 . 1 1 59 59 PHE H H 1 8.983 0.010 . 1 . . . . 59 . . . 5939 1 545 . 1 1 59 59 PHE HA H 1 5.473 0.010 . 1 . . . . 59 . . . 5939 1 546 . 1 1 59 59 PHE HB2 H 1 2.616 0.010 . 2 . . . . 59 . . . 5939 1 547 . 1 1 59 59 PHE HB3 H 1 2.437 0.010 . 2 . . . . 59 . . . 5939 1 548 . 1 1 59 59 PHE HD1 H 1 6.854 0.010 . 1 . . . . 59 . . . 5939 1 549 . 1 1 59 59 PHE HD2 H 1 6.854 0.010 . 1 . . . . 59 . . . 5939 1 550 . 1 1 59 59 PHE HE1 H 1 7.095 0.010 . 1 . . . . 59 . . . 5939 1 551 . 1 1 59 59 PHE HE2 H 1 7.095 0.010 . 1 . . . . 59 . . . 5939 1 552 . 1 1 59 59 PHE HZ H 1 7.297 0.010 . 1 . . . . 59 . . . 5939 1 553 . 1 1 59 59 PHE CA C 13 56.982 0.100 . 1 . . . . 59 . . . 5939 1 554 . 1 1 59 59 PHE CB C 13 44.022 0.100 . 1 . . . . 59 . . . 5939 1 555 . 1 1 59 59 PHE CZ C 13 129.495 0.100 . 1 . . . . 59 . . . 5939 1 556 . 1 1 59 59 PHE N N 15 117.709 0.050 . 1 . . . . 59 . . . 5939 1 557 . 1 1 60 60 LEU H H 1 9.191 0.010 . 1 . . . . 60 . . . 5939 1 558 . 1 1 60 60 LEU HA H 1 4.644 0.010 . 1 . . . . 60 . . . 5939 1 559 . 1 1 60 60 LEU HB2 H 1 1.514 0.010 . 2 . . . . 60 . . . 5939 1 560 . 1 1 60 60 LEU HB3 H 1 1.096 0.010 . 2 . . . . 60 . . . 5939 1 561 . 1 1 60 60 LEU HD11 H 1 0.473 0.010 . 2 . . . . 60 . . . 5939 1 562 . 1 1 60 60 LEU HD12 H 1 0.473 0.010 . 2 . . . . 60 . . . 5939 1 563 . 1 1 60 60 LEU HD13 H 1 0.473 0.010 . 2 . . . . 60 . . . 5939 1 564 . 1 1 60 60 LEU HD21 H 1 0.175 0.010 . 2 . . . . 60 . . . 5939 1 565 . 1 1 60 60 LEU HD22 H 1 0.175 0.010 . 2 . . . . 60 . . . 5939 1 566 . 1 1 60 60 LEU HD23 H 1 0.175 0.010 . 2 . . . . 60 . . . 5939 1 567 . 1 1 60 60 LEU CA C 13 53.534 0.100 . 1 . . . . 60 . . . 5939 1 568 . 1 1 60 60 LEU CB C 13 47.902 0.100 . 1 . . . . 60 . . . 5939 1 569 . 1 1 60 60 LEU CG C 13 26.960 0.100 . 1 . . . . 60 . . . 5939 1 570 . 1 1 60 60 LEU CD1 C 13 25.680 0.100 . 2 . . . . 60 . . . 5939 1 571 . 1 1 60 60 LEU CD2 C 13 23.321 0.100 . 2 . . . . 60 . . . 5939 1 572 . 1 1 60 60 LEU N N 15 124.100 0.050 . 1 . . . . 60 . . . 5939 1 573 . 1 1 61 61 ILE H H 1 8.982 0.010 . 1 . . . . 61 . . . 5939 1 574 . 1 1 61 61 ILE HA H 1 4.868 0.010 . 1 . . . . 61 . . . 5939 1 575 . 1 1 61 61 ILE HB H 1 1.964 0.010 . 1 . . . . 61 . . . 5939 1 576 . 1 1 61 61 ILE HG21 H 1 0.896 0.010 . 1 . . . . 61 . . . 5939 1 577 . 1 1 61 61 ILE HG22 H 1 0.896 0.010 . 1 . . . . 61 . . . 5939 1 578 . 1 1 61 61 ILE HG23 H 1 0.896 0.010 . 1 . . . . 61 . . . 5939 1 579 . 1 1 61 61 ILE HD11 H 1 0.107 0.010 . 1 . . . . 61 . . . 5939 1 580 . 1 1 61 61 ILE HD12 H 1 0.107 0.010 . 1 . . . . 61 . . . 5939 1 581 . 1 1 61 61 ILE HD13 H 1 0.107 0.010 . 1 . . . . 61 . . . 5939 1 582 . 1 1 61 61 ILE CA C 13 61.265 0.100 . 1 . . . . 61 . . . 5939 1 583 . 1 1 61 61 ILE CB C 13 37.699 0.100 . 1 . . . . 61 . . . 5939 1 584 . 1 1 61 61 ILE CG2 C 13 18.670 0.100 . 1 . . . . 61 . . . 5939 1 585 . 1 1 61 61 ILE CD1 C 13 13.210 0.100 . 1 . . . . 61 . . . 5939 1 586 . 1 1 61 61 ILE N N 15 124.307 0.050 . 1 . . . . 61 . . . 5939 1 587 . 1 1 62 62 HIS H H 1 8.765 0.010 . 1 . . . . 62 . . . 5939 1 588 . 1 1 62 62 HIS HA H 1 5.479 0.010 . 1 . . . . 62 . . . 5939 1 589 . 1 1 62 62 HIS HB2 H 1 3.244 0.010 . 2 . . . . 62 . . . 5939 1 590 . 1 1 62 62 HIS HB3 H 1 2.681 0.010 . 2 . . . . 62 . . . 5939 1 591 . 1 1 62 62 HIS HD2 H 1 7.077 0.010 . 1 . . . . 62 . . . 5939 1 592 . 1 1 62 62 HIS HE1 H 1 8.315 0.010 . 1 . . . . 62 . . . 5939 1 593 . 1 1 62 62 HIS CA C 13 54.763 0.100 . 1 . . . . 62 . . . 5939 1 594 . 1 1 62 62 HIS CB C 13 33.539 0.100 . 1 . . . . 62 . . . 5939 1 595 . 1 1 62 62 HIS CD2 C 13 120.190 0.100 . 1 . . . . 62 . . . 5939 1 596 . 1 1 62 62 HIS CE1 C 13 137.857 0.100 . 1 . . . . 62 . . . 5939 1 597 . 1 1 62 62 HIS N N 15 125.942 0.050 . 1 . . . . 62 . . . 5939 1 598 . 1 1 63 63 GLY H H 1 9.717 0.010 . 1 . . . . 63 . . . 5939 1 599 . 1 1 63 63 GLY HA2 H 1 5.511 0.010 . 2 . . . . 63 . . . 5939 1 600 . 1 1 63 63 GLY HA3 H 1 3.094 0.010 . 2 . . . . 63 . . . 5939 1 601 . 1 1 63 63 GLY CA C 13 45.304 0.100 . 1 . . . . 63 . . . 5939 1 602 . 1 1 63 63 GLY N N 15 116.034 0.050 . 1 . . . . 63 . . . 5939 1 603 . 1 1 64 64 GLU H H 1 8.553 0.010 . 1 . . . . 64 . . . 5939 1 604 . 1 1 64 64 GLU HA H 1 5.141 0.010 . 1 . . . . 64 . . . 5939 1 605 . 1 1 64 64 GLU HB2 H 1 1.756 0.010 . 1 . . . . 64 . . . 5939 1 606 . 1 1 64 64 GLU HB3 H 1 1.756 0.010 . 1 . . . . 64 . . . 5939 1 607 . 1 1 64 64 GLU HG2 H 1 2.088 0.010 . 1 . . . . 64 . . . 5939 1 608 . 1 1 64 64 GLU HG3 H 1 2.088 0.010 . 1 . . . . 64 . . . 5939 1 609 . 1 1 64 64 GLU CA C 13 53.448 0.100 . 1 . . . . 64 . . . 5939 1 610 . 1 1 64 64 GLU CB C 13 33.748 0.100 . 1 . . . . 64 . . . 5939 1 611 . 1 1 64 64 GLU N N 15 122.705 0.050 . 1 . . . . 64 . . . 5939 1 612 . 1 1 65 65 ARG H H 1 9.487 0.010 . 1 . . . . 65 . . . 5939 1 613 . 1 1 65 65 ARG HA H 1 4.696 0.010 . 1 . . . . 65 . . . 5939 1 614 . 1 1 65 65 ARG HB2 H 1 2.294 0.010 . 2 . . . . 65 . . . 5939 1 615 . 1 1 65 65 ARG HB3 H 1 1.812 0.010 . 2 . . . . 65 . . . 5939 1 616 . 1 1 65 65 ARG HD2 H 1 3.410 0.010 . 2 . . . . 65 . . . 5939 1 617 . 1 1 65 65 ARG HD3 H 1 3.075 0.010 . 2 . . . . 65 . . . 5939 1 618 . 1 1 65 65 ARG CA C 13 57.841 0.100 . 1 . . . . 65 . . . 5939 1 619 . 1 1 65 65 ARG CB C 13 31.835 0.100 . 1 . . . . 65 . . . 5939 1 620 . 1 1 65 65 ARG CG C 13 27.383 0.100 . 1 . . . . 65 . . . 5939 1 621 . 1 1 65 65 ARG CD C 13 45.004 0.100 . 1 . . . . 65 . . . 5939 1 622 . 1 1 65 65 ARG N N 15 129.390 0.050 . 1 . . . . 65 . . . 5939 1 623 . 1 1 66 66 GLN H H 1 8.885 0.010 . 1 . . . . 66 . . . 5939 1 624 . 1 1 66 66 GLN HA H 1 4.081 0.010 . 1 . . . . 66 . . . 5939 1 625 . 1 1 66 66 GLN HB2 H 1 2.046 0.010 . 2 . . . . 66 . . . 5939 1 626 . 1 1 66 66 GLN HB3 H 1 1.983 0.010 . 2 . . . . 66 . . . 5939 1 627 . 1 1 66 66 GLN HG2 H 1 2.266 0.010 . 1 . . . . 66 . . . 5939 1 628 . 1 1 66 66 GLN HG3 H 1 2.266 0.010 . 1 . . . . 66 . . . 5939 1 629 . 1 1 66 66 GLN HE21 H 1 7.362 0.010 . 1 . . . . 66 . . . 5939 1 630 . 1 1 66 66 GLN HE22 H 1 6.948 0.010 . 1 . . . . 66 . . . 5939 1 631 . 1 1 66 66 GLN CA C 13 59.492 0.100 . 1 . . . . 66 . . . 5939 1 632 . 1 1 66 66 GLN CB C 13 29.449 0.100 . 1 . . . . 66 . . . 5939 1 633 . 1 1 66 66 GLN CG C 13 34.684 0.100 . 1 . . . . 66 . . . 5939 1 634 . 1 1 66 66 GLN N N 15 125.368 0.050 . 1 . . . . 66 . . . 5939 1 635 . 1 1 66 66 GLN NE2 N 15 111.227 0.050 . 1 . . . . 66 . . . 5939 1 636 . 1 1 67 67 LYS H H 1 8.742 0.010 . 1 . . . . 67 . . . 5939 1 637 . 1 1 67 67 LYS HA H 1 4.042 0.010 . 1 . . . . 67 . . . 5939 1 638 . 1 1 67 67 LYS HB2 H 1 1.984 0.010 . 2 . . . . 67 . . . 5939 1 639 . 1 1 67 67 LYS HB3 H 1 1.633 0.010 . 2 . . . . 67 . . . 5939 1 640 . 1 1 67 67 LYS HG2 H 1 1.312 0.010 . 1 . . . . 67 . . . 5939 1 641 . 1 1 67 67 LYS HG3 H 1 1.312 0.010 . 1 . . . . 67 . . . 5939 1 642 . 1 1 67 67 LYS HE2 H 1 2.910 0.010 . 1 . . . . 67 . . . 5939 1 643 . 1 1 67 67 LYS HE3 H 1 2.910 0.010 . 1 . . . . 67 . . . 5939 1 644 . 1 1 67 67 LYS CA C 13 59.433 0.100 . 1 . . . . 67 . . . 5939 1 645 . 1 1 67 67 LYS CB C 13 32.645 0.100 . 1 . . . . 67 . . . 5939 1 646 . 1 1 67 67 LYS CG C 13 24.406 0.100 . 1 . . . . 67 . . . 5939 1 647 . 1 1 67 67 LYS CD C 13 29.513 0.100 . 1 . . . . 67 . . . 5939 1 648 . 1 1 67 67 LYS CE C 13 45.477 0.100 . 1 . . . . 67 . . . 5939 1 649 . 1 1 67 67 LYS N N 15 116.510 0.050 . 1 . . . . 67 . . . 5939 1 650 . 1 1 68 68 ASP H H 1 7.555 0.010 . 1 . . . . 68 . . . 5939 1 651 . 1 1 68 68 ASP HA H 1 4.659 0.010 . 1 . . . . 68 . . . 5939 1 652 . 1 1 68 68 ASP HB2 H 1 2.962 0.010 . 2 . . . . 68 . . . 5939 1 653 . 1 1 68 68 ASP HB3 H 1 2.456 0.010 . 2 . . . . 68 . . . 5939 1 654 . 1 1 68 68 ASP CA C 13 52.287 0.100 . 1 . . . . 68 . . . 5939 1 655 . 1 1 68 68 ASP CB C 13 41.361 0.100 . 1 . . . . 68 . . . 5939 1 656 . 1 1 68 68 ASP N N 15 113.516 0.050 . 1 . . . . 68 . . . 5939 1 657 . 1 1 69 69 LYS H H 1 7.999 0.010 . 1 . . . . 69 . . . 5939 1 658 . 1 1 69 69 LYS HA H 1 3.962 0.010 . 1 . . . . 69 . . . 5939 1 659 . 1 1 69 69 LYS HB2 H 1 1.962 0.010 . 1 . . . . 69 . . . 5939 1 660 . 1 1 69 69 LYS HB3 H 1 1.962 0.010 . 1 . . . . 69 . . . 5939 1 661 . 1 1 69 69 LYS HG2 H 1 1.339 0.010 . 1 . . . . 69 . . . 5939 1 662 . 1 1 69 69 LYS HG3 H 1 1.339 0.010 . 1 . . . . 69 . . . 5939 1 663 . 1 1 69 69 LYS HD2 H 1 1.595 0.010 . 1 . . . . 69 . . . 5939 1 664 . 1 1 69 69 LYS HD3 H 1 1.595 0.010 . 1 . . . . 69 . . . 5939 1 665 . 1 1 69 69 LYS HE2 H 1 2.946 0.010 . 1 . . . . 69 . . . 5939 1 666 . 1 1 69 69 LYS HE3 H 1 2.946 0.010 . 1 . . . . 69 . . . 5939 1 667 . 1 1 69 69 LYS CA C 13 57.802 0.100 . 1 . . . . 69 . . . 5939 1 668 . 1 1 69 69 LYS CB C 13 29.814 0.100 . 1 . . . . 69 . . . 5939 1 669 . 1 1 69 69 LYS CG C 13 24.413 0.100 . 1 . . . . 69 . . . 5939 1 670 . 1 1 69 69 LYS CD C 13 25.769 0.100 . 1 . . . . 69 . . . 5939 1 671 . 1 1 69 69 LYS CE C 13 42.076 0.100 . 1 . . . . 69 . . . 5939 1 672 . 1 1 69 69 LYS N N 15 115.806 0.050 . 1 . . . . 69 . . . 5939 1 673 . 1 1 70 70 LEU H H 1 7.211 0.010 . 1 . . . . 70 . . . 5939 1 674 . 1 1 70 70 LEU HA H 1 4.153 0.010 . 1 . . . . 70 . . . 5939 1 675 . 1 1 70 70 LEU HB2 H 1 1.564 0.010 . 2 . . . . 70 . . . 5939 1 676 . 1 1 70 70 LEU HB3 H 1 1.442 0.010 . 2 . . . . 70 . . . 5939 1 677 . 1 1 70 70 LEU HG H 1 1.337 0.010 . 1 . . . . 70 . . . 5939 1 678 . 1 1 70 70 LEU HD11 H 1 0.911 0.010 . 2 . . . . 70 . . . 5939 1 679 . 1 1 70 70 LEU HD12 H 1 0.911 0.010 . 2 . . . . 70 . . . 5939 1 680 . 1 1 70 70 LEU HD13 H 1 0.911 0.010 . 2 . . . . 70 . . . 5939 1 681 . 1 1 70 70 LEU HD21 H 1 0.751 0.010 . 2 . . . . 70 . . . 5939 1 682 . 1 1 70 70 LEU HD22 H 1 0.751 0.010 . 2 . . . . 70 . . . 5939 1 683 . 1 1 70 70 LEU HD23 H 1 0.751 0.010 . 2 . . . . 70 . . . 5939 1 684 . 1 1 70 70 LEU CA C 13 55.912 0.100 . 1 . . . . 70 . . . 5939 1 685 . 1 1 70 70 LEU CB C 13 43.203 0.100 . 1 . . . . 70 . . . 5939 1 686 . 1 1 70 70 LEU CG C 13 25.726 0.100 . 1 . . . . 70 . . . 5939 1 687 . 1 1 70 70 LEU CD1 C 13 26.908 0.100 . 1 . . . . 70 . . . 5939 1 688 . 1 1 70 70 LEU CD2 C 13 26.908 0.100 . 1 . . . . 70 . . . 5939 1 689 . 1 1 70 70 LEU N N 15 120.018 0.050 . 1 . . . . 70 . . . 5939 1 690 . 1 1 71 71 VAL H H 1 8.786 0.010 . 1 . . . . 71 . . . 5939 1 691 . 1 1 71 71 VAL HA H 1 4.189 0.010 . 1 . . . . 71 . . . 5939 1 692 . 1 1 71 71 VAL HB H 1 2.116 0.010 . 1 . . . . 71 . . . 5939 1 693 . 1 1 71 71 VAL HG11 H 1 1.104 0.010 . 2 . . . . 71 . . . 5939 1 694 . 1 1 71 71 VAL HG12 H 1 1.104 0.010 . 2 . . . . 71 . . . 5939 1 695 . 1 1 71 71 VAL HG13 H 1 1.104 0.010 . 2 . . . . 71 . . . 5939 1 696 . 1 1 71 71 VAL HG21 H 1 0.789 0.010 . 2 . . . . 71 . . . 5939 1 697 . 1 1 71 71 VAL HG22 H 1 0.789 0.010 . 2 . . . . 71 . . . 5939 1 698 . 1 1 71 71 VAL HG23 H 1 0.789 0.010 . 2 . . . . 71 . . . 5939 1 699 . 1 1 71 71 VAL CA C 13 64.374 0.100 . 1 . . . . 71 . . . 5939 1 700 . 1 1 71 71 VAL CB C 13 30.721 0.100 . 1 . . . . 71 . . . 5939 1 701 . 1 1 71 71 VAL CG1 C 13 22.925 0.100 . 2 . . . . 71 . . . 5939 1 702 . 1 1 71 71 VAL CG2 C 13 21.620 0.100 . 2 . . . . 71 . . . 5939 1 703 . 1 1 71 71 VAL N N 15 127.496 0.050 . 1 . . . . 71 . . . 5939 1 704 . 1 1 72 72 VAL H H 1 7.693 0.010 . 1 . . . . 72 . . . 5939 1 705 . 1 1 72 72 VAL HA H 1 4.378 0.010 . 1 . . . . 72 . . . 5939 1 706 . 1 1 72 72 VAL HB H 1 2.280 0.010 . 1 . . . . 72 . . . 5939 1 707 . 1 1 72 72 VAL HG11 H 1 0.832 0.010 . 2 . . . . 72 . . . 5939 1 708 . 1 1 72 72 VAL HG12 H 1 0.832 0.010 . 2 . . . . 72 . . . 5939 1 709 . 1 1 72 72 VAL HG13 H 1 0.832 0.010 . 2 . . . . 72 . . . 5939 1 710 . 1 1 72 72 VAL HG21 H 1 0.652 0.010 . 2 . . . . 72 . . . 5939 1 711 . 1 1 72 72 VAL HG22 H 1 0.652 0.010 . 2 . . . . 72 . . . 5939 1 712 . 1 1 72 72 VAL HG23 H 1 0.652 0.010 . 2 . . . . 72 . . . 5939 1 713 . 1 1 72 72 VAL CA C 13 60.742 0.100 . 1 . . . . 72 . . . 5939 1 714 . 1 1 72 72 VAL CB C 13 33.085 0.100 . 1 . . . . 72 . . . 5939 1 715 . 1 1 72 72 VAL CG1 C 13 22.112 0.100 . 2 . . . . 72 . . . 5939 1 716 . 1 1 72 72 VAL CG2 C 13 18.633 0.100 . 2 . . . . 72 . . . 5939 1 717 . 1 1 72 72 VAL N N 15 120.833 0.050 . 1 . . . . 72 . . . 5939 1 718 . 1 1 73 73 LEU H H 1 7.305 0.010 . 1 . . . . 73 . . . 5939 1 719 . 1 1 73 73 LEU HA H 1 4.478 0.010 . 1 . . . . 73 . . . 5939 1 720 . 1 1 73 73 LEU HB2 H 1 1.623 0.010 . 2 . . . . 73 . . . 5939 1 721 . 1 1 73 73 LEU HB3 H 1 1.232 0.010 . 2 . . . . 73 . . . 5939 1 722 . 1 1 73 73 LEU HG H 1 0.779 0.010 . 1 . . . . 73 . . . 5939 1 723 . 1 1 73 73 LEU HD11 H 1 0.824 0.010 . 1 . . . . 73 . . . 5939 1 724 . 1 1 73 73 LEU HD12 H 1 0.824 0.010 . 1 . . . . 73 . . . 5939 1 725 . 1 1 73 73 LEU HD13 H 1 0.824 0.010 . 1 . . . . 73 . . . 5939 1 726 . 1 1 73 73 LEU HD21 H 1 0.824 0.010 . 1 . . . . 73 . . . 5939 1 727 . 1 1 73 73 LEU HD22 H 1 0.824 0.010 . 1 . . . . 73 . . . 5939 1 728 . 1 1 73 73 LEU HD23 H 1 0.824 0.010 . 1 . . . . 73 . . . 5939 1 729 . 1 1 73 73 LEU CA C 13 55.728 0.100 . 1 . . . . 73 . . . 5939 1 730 . 1 1 73 73 LEU CB C 13 46.428 0.100 . 1 . . . . 73 . . . 5939 1 731 . 1 1 73 73 LEU CG C 13 27.952 0.100 . 1 . . . . 73 . . . 5939 1 732 . 1 1 73 73 LEU N N 15 122.863 0.050 . 1 . . . . 73 . . . 5939 1 733 . 1 1 74 74 GLU H H 1 8.661 0.010 . 1 . . . . 74 . . . 5939 1 734 . 1 1 74 74 GLU HA H 1 5.396 0.010 . 1 . . . . 74 . . . 5939 1 735 . 1 1 74 74 GLU HB2 H 1 2.002 0.010 . 2 . . . . 74 . . . 5939 1 736 . 1 1 74 74 GLU HB3 H 1 1.859 0.010 . 2 . . . . 74 . . . 5939 1 737 . 1 1 74 74 GLU HG2 H 1 2.153 0.010 . 2 . . . . 74 . . . 5939 1 738 . 1 1 74 74 GLU HG3 H 1 2.074 0.010 . 2 . . . . 74 . . . 5939 1 739 . 1 1 74 74 GLU CA C 13 56.472 0.100 . 1 . . . . 74 . . . 5939 1 740 . 1 1 74 74 GLU CB C 13 32.164 0.100 . 1 . . . . 74 . . . 5939 1 741 . 1 1 74 74 GLU CG C 13 37.386 0.100 . 1 . . . . 74 . . . 5939 1 742 . 1 1 74 74 GLU N N 15 128.668 0.050 . 1 . . . . 74 . . . 5939 1 743 . 1 1 75 75 CYS H H 1 8.781 0.010 . 1 . . . . 75 . . . 5939 1 744 . 1 1 75 75 CYS HA H 1 4.915 0.010 . 1 . . . . 75 . . . 5939 1 745 . 1 1 75 75 CYS HB2 H 1 2.725 0.010 . 2 . . . . 75 . . . 5939 1 746 . 1 1 75 75 CYS HB3 H 1 2.585 0.010 . 2 . . . . 75 . . . 5939 1 747 . 1 1 75 75 CYS CA C 13 55.887 0.100 . 1 . . . . 75 . . . 5939 1 748 . 1 1 75 75 CYS CB C 13 30.115 0.100 . 1 . . . . 75 . . . 5939 1 749 . 1 1 75 75 CYS N N 15 122.108 0.050 . 1 . . . . 75 . . . 5939 1 750 . 1 1 76 76 TYR H H 1 9.047 0.010 . 1 . . . . 76 . . . 5939 1 751 . 1 1 76 76 TYR HA H 1 4.663 0.010 . 1 . . . . 76 . . . 5939 1 752 . 1 1 76 76 TYR HB2 H 1 2.993 0.010 . 2 . . . . 76 . . . 5939 1 753 . 1 1 76 76 TYR HB3 H 1 2.801 0.010 . 2 . . . . 76 . . . 5939 1 754 . 1 1 76 76 TYR HD1 H 1 7.231 0.010 . 1 . . . . 76 . . . 5939 1 755 . 1 1 76 76 TYR HD2 H 1 7.231 0.010 . 1 . . . . 76 . . . 5939 1 756 . 1 1 76 76 TYR HE1 H 1 6.707 0.010 . 1 . . . . 76 . . . 5939 1 757 . 1 1 76 76 TYR HE2 H 1 6.707 0.010 . 1 . . . . 76 . . . 5939 1 758 . 1 1 76 76 TYR CA C 13 60.175 0.100 . 1 . . . . 76 . . . 5939 1 759 . 1 1 76 76 TYR CB C 13 38.418 0.100 . 1 . . . . 76 . . . 5939 1 760 . 1 1 76 76 TYR N N 15 126.107 0.050 . 1 . . . . 76 . . . 5939 1 761 . 1 1 77 77 VAL H H 1 8.440 0.010 . 1 . . . . 77 . . . 5939 1 762 . 1 1 77 77 VAL HA H 1 3.509 0.010 . 1 . . . . 77 . . . 5939 1 763 . 1 1 77 77 VAL HB H 1 1.822 0.010 . 1 . . . . 77 . . . 5939 1 764 . 1 1 77 77 VAL HG11 H 1 0.703 0.010 . 1 . . . . 77 . . . 5939 1 765 . 1 1 77 77 VAL HG12 H 1 0.703 0.010 . 1 . . . . 77 . . . 5939 1 766 . 1 1 77 77 VAL HG13 H 1 0.703 0.010 . 1 . . . . 77 . . . 5939 1 767 . 1 1 77 77 VAL HG21 H 1 0.703 0.010 . 1 . . . . 77 . . . 5939 1 768 . 1 1 77 77 VAL HG22 H 1 0.703 0.010 . 1 . . . . 77 . . . 5939 1 769 . 1 1 77 77 VAL HG23 H 1 0.703 0.010 . 1 . . . . 77 . . . 5939 1 770 . 1 1 77 77 VAL CA C 13 64.106 0.100 . 1 . . . . 77 . . . 5939 1 771 . 1 1 77 77 VAL CB C 13 31.916 0.100 . 1 . . . . 77 . . . 5939 1 772 . 1 1 77 77 VAL N N 15 120.545 0.050 . 1 . . . . 77 . . . 5939 1 773 . 1 1 78 78 ARG H H 1 6.240 0.010 . 1 . . . . 78 . . . 5939 1 774 . 1 1 78 78 ARG HA H 1 4.808 0.010 . 1 . . . . 78 . . . 5939 1 775 . 1 1 78 78 ARG HB2 H 1 2.143 0.010 . 2 . . . . 78 . . . 5939 1 776 . 1 1 78 78 ARG HB3 H 1 1.683 0.010 . 2 . . . . 78 . . . 5939 1 777 . 1 1 78 78 ARG HG2 H 1 1.762 0.010 . 1 . . . . 78 . . . 5939 1 778 . 1 1 78 78 ARG HG3 H 1 1.762 0.010 . 1 . . . . 78 . . . 5939 1 779 . 1 1 78 78 ARG HD2 H 1 3.363 0.010 . 2 . . . . 78 . . . 5939 1 780 . 1 1 78 78 ARG HD3 H 1 3.207 0.010 . 2 . . . . 78 . . . 5939 1 781 . 1 1 78 78 ARG CA C 13 53.132 0.100 . 1 . . . . 78 . . . 5939 1 782 . 1 1 78 78 ARG CB C 13 35.231 0.100 . 1 . . . . 78 . . . 5939 1 783 . 1 1 78 78 ARG CG C 13 26.851 0.100 . 1 . . . . 78 . . . 5939 1 784 . 1 1 78 78 ARG CD C 13 43.265 0.100 . 1 . . . . 78 . . . 5939 1 785 . 1 1 78 78 ARG N N 15 121.141 0.050 . 1 . . . . 78 . . . 5939 1 786 . 1 1 79 79 LYS H H 1 9.153 0.010 . 1 . . . . 79 . . . 5939 1 787 . 1 1 79 79 LYS HA H 1 3.971 0.010 . 1 . . . . 79 . . . 5939 1 788 . 1 1 79 79 LYS HB2 H 1 1.839 0.010 . 1 . . . . 79 . . . 5939 1 789 . 1 1 79 79 LYS HB3 H 1 1.839 0.010 . 1 . . . . 79 . . . 5939 1 790 . 1 1 79 79 LYS HG2 H 1 1.497 0.010 . 1 . . . . 79 . . . 5939 1 791 . 1 1 79 79 LYS HG3 H 1 1.497 0.010 . 1 . . . . 79 . . . 5939 1 792 . 1 1 79 79 LYS HD2 H 1 1.658 0.010 . 1 . . . . 79 . . . 5939 1 793 . 1 1 79 79 LYS HD3 H 1 1.658 0.010 . 1 . . . . 79 . . . 5939 1 794 . 1 1 79 79 LYS CA C 13 58.409 0.100 . 1 . . . . 79 . . . 5939 1 795 . 1 1 79 79 LYS CB C 13 32.420 0.100 . 1 . . . . 79 . . . 5939 1 796 . 1 1 79 79 LYS CG C 13 25.242 0.100 . 1 . . . . 79 . . . 5939 1 797 . 1 1 79 79 LYS CD C 13 29.125 0.100 . 1 . . . . 79 . . . 5939 1 798 . 1 1 79 79 LYS N N 15 119.544 0.050 . 1 . . . . 79 . . . 5939 1 799 . 1 1 80 80 ASP H H 1 8.081 0.010 . 1 . . . . 80 . . . 5939 1 800 . 1 1 80 80 ASP HA H 1 4.584 0.010 . 1 . . . . 80 . . . 5939 1 801 . 1 1 80 80 ASP HB2 H 1 2.961 0.010 . 2 . . . . 80 . . . 5939 1 802 . 1 1 80 80 ASP HB3 H 1 2.507 0.010 . 2 . . . . 80 . . . 5939 1 803 . 1 1 80 80 ASP CA C 13 52.428 0.100 . 1 . . . . 80 . . . 5939 1 804 . 1 1 80 80 ASP CB C 13 39.686 0.100 . 1 . . . . 80 . . . 5939 1 805 . 1 1 80 80 ASP N N 15 114.205 0.050 . 1 . . . . 80 . . . 5939 1 806 . 1 1 81 81 LEU H H 1 7.168 0.010 . 1 . . . . 81 . . . 5939 1 807 . 1 1 81 81 LEU HA H 1 4.520 0.010 . 1 . . . . 81 . . . 5939 1 808 . 1 1 81 81 LEU HB2 H 1 1.767 0.010 . 1 . . . . 81 . . . 5939 1 809 . 1 1 81 81 LEU HB3 H 1 1.767 0.010 . 1 . . . . 81 . . . 5939 1 810 . 1 1 81 81 LEU HD11 H 1 0.766 0.010 . 1 . . . . 81 . . . 5939 1 811 . 1 1 81 81 LEU HD12 H 1 0.766 0.010 . 1 . . . . 81 . . . 5939 1 812 . 1 1 81 81 LEU HD13 H 1 0.766 0.010 . 1 . . . . 81 . . . 5939 1 813 . 1 1 81 81 LEU HD21 H 1 0.766 0.010 . 1 . . . . 81 . . . 5939 1 814 . 1 1 81 81 LEU HD22 H 1 0.766 0.010 . 1 . . . . 81 . . . 5939 1 815 . 1 1 81 81 LEU HD23 H 1 0.766 0.010 . 1 . . . . 81 . . . 5939 1 816 . 1 1 81 81 LEU CA C 13 57.470 0.100 . 1 . . . . 81 . . . 5939 1 817 . 1 1 81 81 LEU CB C 13 43.589 0.100 . 1 . . . . 81 . . . 5939 1 818 . 1 1 81 81 LEU CG C 13 28.013 0.100 . 1 . . . . 81 . . . 5939 1 819 . 1 1 81 81 LEU N N 15 122.002 0.050 . 1 . . . . 81 . . . 5939 1 820 . 1 1 82 82 VAL H H 1 8.740 0.010 . 1 . . . . 82 . . . 5939 1 821 . 1 1 82 82 VAL HA H 1 4.305 0.010 . 1 . . . . 82 . . . 5939 1 822 . 1 1 82 82 VAL HB H 1 2.090 0.010 . 1 . . . . 82 . . . 5939 1 823 . 1 1 82 82 VAL HG11 H 1 1.096 0.010 . 1 . . . . 82 . . . 5939 1 824 . 1 1 82 82 VAL HG12 H 1 1.096 0.010 . 1 . . . . 82 . . . 5939 1 825 . 1 1 82 82 VAL HG13 H 1 1.096 0.010 . 1 . . . . 82 . . . 5939 1 826 . 1 1 82 82 VAL HG21 H 1 1.096 0.010 . 1 . . . . 82 . . . 5939 1 827 . 1 1 82 82 VAL HG22 H 1 1.096 0.010 . 1 . . . . 82 . . . 5939 1 828 . 1 1 82 82 VAL HG23 H 1 1.096 0.010 . 1 . . . . 82 . . . 5939 1 829 . 1 1 82 82 VAL CA C 13 62.600 0.100 . 1 . . . . 82 . . . 5939 1 830 . 1 1 82 82 VAL CB C 13 33.589 0.100 . 1 . . . . 82 . . . 5939 1 831 . 1 1 82 82 VAL N N 15 128.762 0.050 . 1 . . . . 82 . . . 5939 1 832 . 1 1 83 83 TYR H H 1 9.210 0.010 . 1 . . . . 83 . . . 5939 1 833 . 1 1 83 83 TYR HA H 1 4.799 0.010 . 1 . . . . 83 . . . 5939 1 834 . 1 1 83 83 TYR HB2 H 1 2.994 0.010 . 2 . . . . 83 . . . 5939 1 835 . 1 1 83 83 TYR HB3 H 1 2.373 0.010 . 2 . . . . 83 . . . 5939 1 836 . 1 1 83 83 TYR HD1 H 1 6.528 0.010 . 1 . . . . 83 . . . 5939 1 837 . 1 1 83 83 TYR HD2 H 1 6.528 0.010 . 1 . . . . 83 . . . 5939 1 838 . 1 1 83 83 TYR HE1 H 1 6.427 0.010 . 1 . . . . 83 . . . 5939 1 839 . 1 1 83 83 TYR HE2 H 1 6.427 0.010 . 1 . . . . 83 . . . 5939 1 840 . 1 1 83 83 TYR CA C 13 58.132 0.100 . 1 . . . . 83 . . . 5939 1 841 . 1 1 83 83 TYR CB C 13 41.899 0.100 . 1 . . . . 83 . . . 5939 1 842 . 1 1 83 83 TYR N N 15 135.319 0.050 . 1 . . . . 83 . . . 5939 1 843 . 1 1 84 84 THR H H 1 9.459 0.010 . 1 . . . . 84 . . . 5939 1 844 . 1 1 84 84 THR HA H 1 4.149 0.010 . 1 . . . . 84 . . . 5939 1 845 . 1 1 84 84 THR HB H 1 2.440 0.010 . 1 . . . . 84 . . . 5939 1 846 . 1 1 84 84 THR HG21 H 1 0.771 0.010 . 1 . . . . 84 . . . 5939 1 847 . 1 1 84 84 THR HG22 H 1 0.771 0.010 . 1 . . . . 84 . . . 5939 1 848 . 1 1 84 84 THR HG23 H 1 0.771 0.010 . 1 . . . . 84 . . . 5939 1 849 . 1 1 84 84 THR CA C 13 62.330 0.100 . 1 . . . . 84 . . . 5939 1 850 . 1 1 84 84 THR CB C 13 69.970 0.100 . 1 . . . . 84 . . . 5939 1 851 . 1 1 84 84 THR CG2 C 13 21.420 0.100 . 1 . . . . 84 . . . 5939 1 852 . 1 1 84 84 THR N N 15 127.232 0.050 . 1 . . . . 84 . . . 5939 1 853 . 1 1 85 85 LYS H H 1 8.611 0.010 . 1 . . . . 85 . . . 5939 1 854 . 1 1 85 85 LYS HA H 1 4.093 0.010 . 1 . . . . 85 . . . 5939 1 855 . 1 1 85 85 LYS HB2 H 1 1.628 0.010 . 2 . . . . 85 . . . 5939 1 856 . 1 1 85 85 LYS HB3 H 1 1.061 0.010 . 2 . . . . 85 . . . 5939 1 857 . 1 1 85 85 LYS CA C 13 54.767 0.100 . 1 . . . . 85 . . . 5939 1 858 . 1 1 85 85 LYS CB C 13 29.453 0.100 . 1 . . . . 85 . . . 5939 1 859 . 1 1 85 85 LYS CG C 13 23.362 0.100 . 1 . . . . 85 . . . 5939 1 860 . 1 1 85 85 LYS N N 15 127.508 0.050 . 1 . . . . 85 . . . 5939 1 861 . 1 1 86 86 ALA H H 1 7.481 0.010 . 1 . . . . 86 . . . 5939 1 862 . 1 1 86 86 ALA HA H 1 4.099 0.010 . 1 . . . . 86 . . . 5939 1 863 . 1 1 86 86 ALA HB1 H 1 1.441 0.010 . 1 . . . . 86 . . . 5939 1 864 . 1 1 86 86 ALA HB2 H 1 1.441 0.010 . 1 . . . . 86 . . . 5939 1 865 . 1 1 86 86 ALA HB3 H 1 1.441 0.010 . 1 . . . . 86 . . . 5939 1 866 . 1 1 86 86 ALA CA C 13 55.170 0.100 . 1 . . . . 86 . . . 5939 1 867 . 1 1 86 86 ALA CB C 13 19.827 0.100 . 1 . . . . 86 . . . 5939 1 868 . 1 1 86 86 ALA N N 15 129.581 0.050 . 1 . . . . 86 . . . 5939 1 869 . 1 1 87 87 ASN H H 1 8.772 0.010 . 1 . . . . 87 . . . 5939 1 870 . 1 1 87 87 ASN HA H 1 4.783 0.010 . 1 . . . . 87 . . . 5939 1 871 . 1 1 87 87 ASN HB2 H 1 3.191 0.010 . 1 . . . . 87 . . . 5939 1 872 . 1 1 87 87 ASN HB3 H 1 3.191 0.010 . 1 . . . . 87 . . . 5939 1 873 . 1 1 87 87 ASN HD21 H 1 7.809 0.010 . 1 . . . . 87 . . . 5939 1 874 . 1 1 87 87 ASN HD22 H 1 6.907 0.010 . 1 . . . . 87 . . . 5939 1 875 . 1 1 87 87 ASN CA C 13 52.655 0.100 . 1 . . . . 87 . . . 5939 1 876 . 1 1 87 87 ASN CB C 13 37.683 0.100 . 1 . . . . 87 . . . 5939 1 877 . 1 1 87 87 ASN N N 15 113.707 0.050 . 1 . . . . 87 . . . 5939 1 878 . 1 1 87 87 ASN ND2 N 15 114.892 0.050 . 1 . . . . 87 . . . 5939 1 879 . 1 1 88 88 PRO HA H 1 4.455 0.010 . 1 . . . . 88 . . . 5939 1 880 . 1 1 88 88 PRO HB2 H 1 2.474 0.010 . 1 . . . . 88 . . . 5939 1 881 . 1 1 88 88 PRO HB3 H 1 2.474 0.010 . 1 . . . . 88 . . . 5939 1 882 . 1 1 88 88 PRO HG2 H 1 2.259 0.010 . 2 . . . . 88 . . . 5939 1 883 . 1 1 88 88 PRO HG3 H 1 1.987 0.010 . 2 . . . . 88 . . . 5939 1 884 . 1 1 88 88 PRO CA C 13 65.958 0.100 . 1 . . . . 88 . . . 5939 1 885 . 1 1 88 88 PRO CB C 13 33.065 0.100 . 1 . . . . 88 . . . 5939 1 886 . 1 1 88 88 PRO CG C 13 28.301 0.100 . 1 . . . . 88 . . . 5939 1 887 . 1 1 89 89 THR H H 1 8.360 0.010 . 1 . . . . 89 . . . 5939 1 888 . 1 1 89 89 THR HA H 1 4.455 0.010 . 1 . . . . 89 . . . 5939 1 889 . 1 1 89 89 THR HB H 1 4.959 0.010 . 1 . . . . 89 . . . 5939 1 890 . 1 1 89 89 THR HG21 H 1 0.821 0.010 . 1 . . . . 89 . . . 5939 1 891 . 1 1 89 89 THR HG22 H 1 0.821 0.010 . 1 . . . . 89 . . . 5939 1 892 . 1 1 89 89 THR HG23 H 1 0.821 0.010 . 1 . . . . 89 . . . 5939 1 893 . 1 1 89 89 THR CA C 13 60.265 0.100 . 1 . . . . 89 . . . 5939 1 894 . 1 1 89 89 THR CB C 13 69.418 0.100 . 1 . . . . 89 . . . 5939 1 895 . 1 1 89 89 THR CG2 C 13 21.685 0.100 . 1 . . . . 89 . . . 5939 1 896 . 1 1 89 89 THR N N 15 100.278 0.050 . 1 . . . . 89 . . . 5939 1 897 . 1 1 90 90 PHE H H 1 7.712 0.010 . 1 . . . . 90 . . . 5939 1 898 . 1 1 90 90 PHE HA H 1 5.966 0.010 . 1 . . . . 90 . . . 5939 1 899 . 1 1 90 90 PHE HB2 H 1 3.108 0.010 . 2 . . . . 90 . . . 5939 1 900 . 1 1 90 90 PHE HB3 H 1 2.772 0.010 . 2 . . . . 90 . . . 5939 1 901 . 1 1 90 90 PHE HD1 H 1 7.044 0.010 . 1 . . . . 90 . . . 5939 1 902 . 1 1 90 90 PHE HD2 H 1 7.044 0.010 . 1 . . . . 90 . . . 5939 1 903 . 1 1 90 90 PHE CA C 13 56.509 0.100 . 1 . . . . 90 . . . 5939 1 904 . 1 1 90 90 PHE CB C 13 40.570 0.100 . 1 . . . . 90 . . . 5939 1 905 . 1 1 90 90 PHE N N 15 124.022 0.050 . 1 . . . . 90 . . . 5939 1 906 . 1 1 91 91 HIS H H 1 8.127 0.010 . 1 . . . . 91 . . . 5939 1 907 . 1 1 91 91 HIS HA H 1 5.146 0.010 . 1 . . . . 91 . . . 5939 1 908 . 1 1 91 91 HIS HB2 H 1 3.159 0.010 . 2 . . . . 91 . . . 5939 1 909 . 1 1 91 91 HIS HB3 H 1 2.896 0.010 . 2 . . . . 91 . . . 5939 1 910 . 1 1 91 91 HIS HD2 H 1 7.404 0.010 . 1 . . . . 91 . . . 5939 1 911 . 1 1 91 91 HIS HE1 H 1 7.487 0.010 . 1 . . . . 91 . . . 5939 1 912 . 1 1 91 91 HIS CA C 13 51.317 0.100 . 1 . . . . 91 . . . 5939 1 913 . 1 1 91 91 HIS CB C 13 35.845 0.100 . 1 . . . . 91 . . . 5939 1 914 . 1 1 91 91 HIS CD2 C 13 114.924 0.100 . 1 . . . . 91 . . . 5939 1 915 . 1 1 91 91 HIS CE1 C 13 138.020 0.100 . 1 . . . . 91 . . . 5939 1 916 . 1 1 91 91 HIS N N 15 125.713 0.050 . 1 . . . . 91 . . . 5939 1 917 . 1 1 92 92 HIS H H 1 8.493 0.010 . 1 . . . . 92 . . . 5939 1 918 . 1 1 92 92 HIS HA H 1 4.969 0.010 . 1 . . . . 92 . . . 5939 1 919 . 1 1 92 92 HIS HB2 H 1 2.820 0.010 . 1 . . . . 92 . . . 5939 1 920 . 1 1 92 92 HIS HB3 H 1 2.820 0.010 . 1 . . . . 92 . . . 5939 1 921 . 1 1 92 92 HIS HD2 H 1 5.617 0.010 . 1 . . . . 92 . . . 5939 1 922 . 1 1 92 92 HIS HE1 H 1 7.740 0.010 . 1 . . . . 92 . . . 5939 1 923 . 1 1 92 92 HIS CA C 13 54.428 0.100 . 1 . . . . 92 . . . 5939 1 924 . 1 1 92 92 HIS CB C 13 34.139 0.100 . 1 . . . . 92 . . . 5939 1 925 . 1 1 92 92 HIS CD2 C 13 119.168 0.100 . 1 . . . . 92 . . . 5939 1 926 . 1 1 92 92 HIS CE1 C 13 137.912 0.100 . 1 . . . . 92 . . . 5939 1 927 . 1 1 92 92 HIS N N 15 116.090 0.050 . 1 . . . . 92 . . . 5939 1 928 . 1 1 93 93 TRP H H 1 9.390 0.010 . 1 . . . . 93 . . . 5939 1 929 . 1 1 93 93 TRP HA H 1 5.834 0.010 . 1 . . . . 93 . . . 5939 1 930 . 1 1 93 93 TRP HB2 H 1 3.468 0.010 . 2 . . . . 93 . . . 5939 1 931 . 1 1 93 93 TRP HB3 H 1 3.242 0.010 . 2 . . . . 93 . . . 5939 1 932 . 1 1 93 93 TRP HD1 H 1 6.800 0.010 . 1 . . . . 93 . . . 5939 1 933 . 1 1 93 93 TRP HE3 H 1 7.043 0.010 . 1 . . . . 93 . . . 5939 1 934 . 1 1 93 93 TRP HZ2 H 1 6.886 0.010 . 1 . . . . 93 . . . 5939 1 935 . 1 1 93 93 TRP HZ3 H 1 6.737 0.010 . 1 . . . . 93 . . . 5939 1 936 . 1 1 93 93 TRP HH2 H 1 6.730 0.010 . 1 . . . . 93 . . . 5939 1 937 . 1 1 93 93 TRP CA C 13 56.924 0.100 . 1 . . . . 93 . . . 5939 1 938 . 1 1 93 93 TRP CB C 13 33.113 0.100 . 1 . . . . 93 . . . 5939 1 939 . 1 1 93 93 TRP CD1 C 13 124.344 0.100 . 1 . . . . 93 . . . 5939 1 940 . 1 1 93 93 TRP CE3 C 13 126.352 0.100 . 1 . . . . 93 . . . 5939 1 941 . 1 1 93 93 TRP CZ2 C 13 114.001 0.100 . 1 . . . . 93 . . . 5939 1 942 . 1 1 93 93 TRP CZ3 C 13 120.983 0.100 . 1 . . . . 93 . . . 5939 1 943 . 1 1 93 93 TRP CH2 C 13 123.124 0.100 . 1 . . . . 93 . . . 5939 1 944 . 1 1 93 93 TRP N N 15 115.891 0.050 . 1 . . . . 93 . . . 5939 1 945 . 1 1 94 94 LYS H H 1 8.709 0.010 . 1 . . . . 94 . . . 5939 1 946 . 1 1 94 94 LYS HA H 1 5.797 0.010 . 1 . . . . 94 . . . 5939 1 947 . 1 1 94 94 LYS HB2 H 1 1.855 0.010 . 2 . . . . 94 . . . 5939 1 948 . 1 1 94 94 LYS HB3 H 1 1.742 0.010 . 2 . . . . 94 . . . 5939 1 949 . 1 1 94 94 LYS HG2 H 1 1.381 0.010 . 1 . . . . 94 . . . 5939 1 950 . 1 1 94 94 LYS HG3 H 1 1.381 0.010 . 1 . . . . 94 . . . 5939 1 951 . 1 1 94 94 LYS CA C 13 54.603 0.100 . 1 . . . . 94 . . . 5939 1 952 . 1 1 94 94 LYS CB C 13 36.488 0.100 . 1 . . . . 94 . . . 5939 1 953 . 1 1 94 94 LYS CG C 13 24.697 0.100 . 1 . . . . 94 . . . 5939 1 954 . 1 1 94 94 LYS CD C 13 29.891 0.100 . 1 . . . . 94 . . . 5939 1 955 . 1 1 94 94 LYS N N 15 121.060 0.050 . 1 . . . . 94 . . . 5939 1 956 . 1 1 95 95 VAL H H 1 9.149 0.010 . 1 . . . . 95 . . . 5939 1 957 . 1 1 95 95 VAL HA H 1 4.607 0.010 . 1 . . . . 95 . . . 5939 1 958 . 1 1 95 95 VAL HB H 1 1.262 0.010 . 1 . . . . 95 . . . 5939 1 959 . 1 1 95 95 VAL HG11 H 1 0.752 0.010 . 2 . . . . 95 . . . 5939 1 960 . 1 1 95 95 VAL HG12 H 1 0.752 0.010 . 2 . . . . 95 . . . 5939 1 961 . 1 1 95 95 VAL HG13 H 1 0.752 0.010 . 2 . . . . 95 . . . 5939 1 962 . 1 1 95 95 VAL HG21 H 1 2.429 0.010 . 2 . . . . 95 . . . 5939 1 963 . 1 1 95 95 VAL HG22 H 1 2.429 0.010 . 2 . . . . 95 . . . 5939 1 964 . 1 1 95 95 VAL HG23 H 1 2.429 0.010 . 2 . . . . 95 . . . 5939 1 965 . 1 1 95 95 VAL CA C 13 61.413 0.100 . 1 . . . . 95 . . . 5939 1 966 . 1 1 95 95 VAL CB C 13 34.49 0.100 . 1 . . . . 95 . . . 5939 1 967 . 1 1 95 95 VAL CG1 C 13 22.18 0.100 . 2 . . . . 95 . . . 5939 1 968 . 1 1 95 95 VAL CG2 C 13 19.90 0.100 . 2 . . . . 95 . . . 5939 1 969 . 1 1 95 95 VAL N N 15 124.362 0.050 . 1 . . . . 95 . . . 5939 1 970 . 1 1 96 96 ASP H H 1 9.541 0.010 . 1 . . . . 96 . . . 5939 1 971 . 1 1 96 96 ASP HA H 1 4.310 0.010 . 1 . . . . 96 . . . 5939 1 972 . 1 1 96 96 ASP HB2 H 1 3.070 0.010 . 2 . . . . 96 . . . 5939 1 973 . 1 1 96 96 ASP HB3 H 1 2.798 0.010 . 2 . . . . 96 . . . 5939 1 974 . 1 1 96 96 ASP CA C 13 55.914 0.100 . 1 . . . . 96 . . . 5939 1 975 . 1 1 96 96 ASP CB C 13 40.164 0.100 . 1 . . . . 96 . . . 5939 1 976 . 1 1 96 96 ASP N N 15 129.322 0.050 . 1 . . . . 96 . . . 5939 1 977 . 1 1 97 97 ASN H H 1 8.992 0.010 . 1 . . . . 97 . . . 5939 1 978 . 1 1 97 97 ASN HA H 1 4.301 0.010 . 1 . . . . 97 . . . 5939 1 979 . 1 1 97 97 ASN HB2 H 1 3.043 0.010 . 2 . . . . 97 . . . 5939 1 980 . 1 1 97 97 ASN HB3 H 1 2.886 0.010 . 2 . . . . 97 . . . 5939 1 981 . 1 1 97 97 ASN HD21 H 1 7.593 0.010 . 1 . . . . 97 . . . 5939 1 982 . 1 1 97 97 ASN HD22 H 1 6.934 0.010 . 1 . . . . 97 . . . 5939 1 983 . 1 1 97 97 ASN CA C 13 54.612 0.100 . 1 . . . . 97 . . . 5939 1 984 . 1 1 97 97 ASN CB C 13 38.532 0.100 . 1 . . . . 97 . . . 5939 1 985 . 1 1 97 97 ASN N N 15 110.986 0.050 . 1 . . . . 97 . . . 5939 1 986 . 1 1 97 97 ASN ND2 N 15 113.642 0.050 . 1 . . . . 97 . . . 5939 1 987 . 1 1 98 98 ARG H H 1 8.326 0.010 . 1 . . . . 98 . . . 5939 1 988 . 1 1 98 98 ARG HA H 1 4.516 0.010 . 1 . . . . 98 . . . 5939 1 989 . 1 1 98 98 ARG HB2 H 1 1.985 0.010 . 2 . . . . 98 . . . 5939 1 990 . 1 1 98 98 ARG HB3 H 1 1.556 0.010 . 2 . . . . 98 . . . 5939 1 991 . 1 1 98 98 ARG HG2 H 1 1.798 0.010 . 1 . . . . 98 . . . 5939 1 992 . 1 1 98 98 ARG HG3 H 1 1.798 0.010 . 1 . . . . 98 . . . 5939 1 993 . 1 1 98 98 ARG HD2 H 1 3.336 0.010 . 2 . . . . 98 . . . 5939 1 994 . 1 1 98 98 ARG HD3 H 1 3.186 0.010 . 2 . . . . 98 . . . 5939 1 995 . 1 1 98 98 ARG CA C 13 55.402 0.100 . 1 . . . . 98 . . . 5939 1 996 . 1 1 98 98 ARG CB C 13 34.431 0.100 . 1 . . . . 98 . . . 5939 1 997 . 1 1 98 98 ARG CG C 13 27.365 0.100 . 1 . . . . 98 . . . 5939 1 998 . 1 1 98 98 ARG CD C 13 43.732 0.100 . 1 . . . . 98 . . . 5939 1 999 . 1 1 98 98 ARG N N 15 121.190 0.050 . 1 . . . . 98 . . . 5939 1 1000 . 1 1 99 99 LYS H H 1 7.839 0.010 . 1 . . . . 99 . . . 5939 1 1001 . 1 1 99 99 LYS HA H 1 5.257 0.010 . 1 . . . . 99 . . . 5939 1 1002 . 1 1 99 99 LYS HB2 H 1 1.720 0.010 . 2 . . . . 99 . . . 5939 1 1003 . 1 1 99 99 LYS HB3 H 1 1.713 0.010 . 2 . . . . 99 . . . 5939 1 1004 . 1 1 99 99 LYS HG2 H 1 1.274 0.010 . 1 . . . . 99 . . . 5939 1 1005 . 1 1 99 99 LYS HG3 H 1 1.274 0.010 . 1 . . . . 99 . . . 5939 1 1006 . 1 1 99 99 LYS HD2 H 1 1.499 0.010 . 1 . . . . 99 . . . 5939 1 1007 . 1 1 99 99 LYS HD3 H 1 1.499 0.010 . 1 . . . . 99 . . . 5939 1 1008 . 1 1 99 99 LYS CA C 13 55.043 0.100 . 1 . . . . 99 . . . 5939 1 1009 . 1 1 99 99 LYS CB C 13 35.165 0.100 . 1 . . . . 99 . . . 5939 1 1010 . 1 1 99 99 LYS CG C 13 25.534 0.100 . 1 . . . . 99 . . . 5939 1 1011 . 1 1 99 99 LYS CD C 13 29.814 0.100 . 1 . . . . 99 . . . 5939 1 1012 . 1 1 99 99 LYS N N 15 119.165 0.050 . 1 . . . . 99 . . . 5939 1 1013 . 1 1 100 100 PHE H H 1 8.240 0.010 . 1 . . . . 100 . . . 5939 1 1014 . 1 1 100 100 PHE HA H 1 4.855 0.010 . 1 . . . . 100 . . . 5939 1 1015 . 1 1 100 100 PHE HB2 H 1 2.203 0.010 . 2 . . . . 100 . . . 5939 1 1016 . 1 1 100 100 PHE HB3 H 1 0.692 0.010 . 2 . . . . 100 . . . 5939 1 1017 . 1 1 100 100 PHE HD1 H 1 6.921 0.010 . 1 . . . . 100 . . . 5939 1 1018 . 1 1 100 100 PHE HD2 H 1 6.921 0.010 . 1 . . . . 100 . . . 5939 1 1019 . 1 1 100 100 PHE HE1 H 1 7.333 0.010 . 1 . . . . 100 . . . 5939 1 1020 . 1 1 100 100 PHE HE2 H 1 7.333 0.010 . 1 . . . . 100 . . . 5939 1 1021 . 1 1 100 100 PHE CA C 13 56.231 0.100 . 1 . . . . 100 . . . 5939 1 1022 . 1 1 100 100 PHE CB C 13 44.194 0.100 . 1 . . . . 100 . . . 5939 1 1023 . 1 1 100 100 PHE N N 15 119.712 0.050 . 1 . . . . 100 . . . 5939 1 1024 . 1 1 101 101 GLY H H 1 7.784 0.010 . 1 . . . . 101 . . . 5939 1 1025 . 1 1 101 101 GLY HA2 H 1 4.333 0.010 . 2 . . . . 101 . . . 5939 1 1026 . 1 1 101 101 GLY HA3 H 1 2.910 0.010 . 2 . . . . 101 . . . 5939 1 1027 . 1 1 101 101 GLY CA C 13 45.004 0.100 . 1 . . . . 101 . . . 5939 1 1028 . 1 1 101 101 GLY N N 15 104.382 0.050 . 1 . . . . 101 . . . 5939 1 1029 . 1 1 102 102 LEU H H 1 8.594 0.010 . 1 . . . . 102 . . . 5939 1 1030 . 1 1 102 102 LEU HA H 1 4.881 0.010 . 1 . . . . 102 . . . 5939 1 1031 . 1 1 102 102 LEU HB2 H 1 0.903 0.010 . 1 . . . . 102 . . . 5939 1 1032 . 1 1 102 102 LEU HB3 H 1 0.903 0.010 . 1 . . . . 102 . . . 5939 1 1033 . 1 1 102 102 LEU HG H 1 0.643 0.010 . 1 . . . . 102 . . . 5939 1 1034 . 1 1 102 102 LEU HD11 H 1 0.033 0.010 . 1 . . . . 102 . . . 5939 1 1035 . 1 1 102 102 LEU HD12 H 1 0.033 0.010 . 1 . . . . 102 . . . 5939 1 1036 . 1 1 102 102 LEU HD13 H 1 0.033 0.010 . 1 . . . . 102 . . . 5939 1 1037 . 1 1 102 102 LEU HD21 H 1 0.033 0.010 . 1 . . . . 102 . . . 5939 1 1038 . 1 1 102 102 LEU HD22 H 1 0.033 0.010 . 1 . . . . 102 . . . 5939 1 1039 . 1 1 102 102 LEU HD23 H 1 0.033 0.010 . 1 . . . . 102 . . . 5939 1 1040 . 1 1 102 102 LEU CA C 13 53.503 0.100 . 1 . . . . 102 . . . 5939 1 1041 . 1 1 102 102 LEU CB C 13 46.970 0.100 . 1 . . . . 102 . . . 5939 1 1042 . 1 1 102 102 LEU CG C 13 25.549 0.100 . 1 . . . . 102 . . . 5939 1 1043 . 1 1 102 102 LEU N N 15 119.434 0.050 . 1 . . . . 102 . . . 5939 1 1044 . 1 1 103 103 THR H H 1 8.494 0.010 . 1 . . . . 103 . . . 5939 1 1045 . 1 1 103 103 THR HA H 1 5.253 0.010 . 1 . . . . 103 . . . 5939 1 1046 . 1 1 103 103 THR HB H 1 3.915 0.010 . 1 . . . . 103 . . . 5939 1 1047 . 1 1 103 103 THR HG21 H 1 1.139 0.010 . 1 . . . . 103 . . . 5939 1 1048 . 1 1 103 103 THR HG22 H 1 1.139 0.010 . 1 . . . . 103 . . . 5939 1 1049 . 1 1 103 103 THR HG23 H 1 1.139 0.010 . 1 . . . . 103 . . . 5939 1 1050 . 1 1 103 103 THR CA C 13 60.975 0.100 . 1 . . . . 103 . . . 5939 1 1051 . 1 1 103 103 THR CB C 13 69.500 0.100 . 1 . . . . 103 . . . 5939 1 1052 . 1 1 103 103 THR CG2 C 13 22.162 0.100 . 1 . . . . 103 . . . 5939 1 1053 . 1 1 103 103 THR N N 15 115.548 0.050 . 1 . . . . 103 . . . 5939 1 1054 . 1 1 104 104 PHE H H 1 9.106 0.010 . 1 . . . . 104 . . . 5939 1 1055 . 1 1 104 104 PHE HA H 1 4.550 0.010 . 1 . . . . 104 . . . 5939 1 1056 . 1 1 104 104 PHE HB2 H 1 3.484 0.010 . 2 . . . . 104 . . . 5939 1 1057 . 1 1 104 104 PHE HB3 H 1 2.307 0.010 . 2 . . . . 104 . . . 5939 1 1058 . 1 1 104 104 PHE HD1 H 1 6.404 0.010 . 1 . . . . 104 . . . 5939 1 1059 . 1 1 104 104 PHE HD2 H 1 6.404 0.010 . 1 . . . . 104 . . . 5939 1 1060 . 1 1 104 104 PHE HE1 H 1 7.198 0.010 . 1 . . . . 104 . . . 5939 1 1061 . 1 1 104 104 PHE HE2 H 1 7.198 0.010 . 1 . . . . 104 . . . 5939 1 1062 . 1 1 104 104 PHE HZ H 1 7.460 0.010 . 1 . . . . 104 . . . 5939 1 1063 . 1 1 104 104 PHE CA C 13 57.530 0.100 . 1 . . . . 104 . . . 5939 1 1064 . 1 1 104 104 PHE CB C 13 42.223 0.100 . 1 . . . . 104 . . . 5939 1 1065 . 1 1 104 104 PHE N N 15 126.198 0.050 . 1 . . . . 104 . . . 5939 1 1066 . 1 1 105 105 GLN H H 1 10.363 0.010 . 1 . . . . 105 . . . 5939 1 1067 . 1 1 105 105 GLN HA H 1 4.248 0.010 . 1 . . . . 105 . . . 5939 1 1068 . 1 1 105 105 GLN HB2 H 1 2.179 0.010 . 1 . . . . 105 . . . 5939 1 1069 . 1 1 105 105 GLN HB3 H 1 2.179 0.010 . 1 . . . . 105 . . . 5939 1 1070 . 1 1 105 105 GLN HG2 H 1 2.465 0.010 . 2 . . . . 105 . . . 5939 1 1071 . 1 1 105 105 GLN HG3 H 1 2.316 0.010 . 2 . . . . 105 . . . 5939 1 1072 . 1 1 105 105 GLN HE21 H 1 7.343 0.010 . 1 . . . . 105 . . . 5939 1 1073 . 1 1 105 105 GLN HE22 H 1 6.845 0.010 . 1 . . . . 105 . . . 5939 1 1074 . 1 1 105 105 GLN CA C 13 56.548 0.100 . 1 . . . . 105 . . . 5939 1 1075 . 1 1 105 105 GLN CB C 13 29.799 0.100 . 1 . . . . 105 . . . 5939 1 1076 . 1 1 105 105 GLN CG C 13 34.644 0.100 . 1 . . . . 105 . . . 5939 1 1077 . 1 1 105 105 GLN N N 15 118.392 0.050 . 1 . . . . 105 . . . 5939 1 1078 . 1 1 105 105 GLN NE2 N 15 111.706 0.050 . 1 . . . . 105 . . . 5939 1 1079 . 1 1 106 106 SER H H 1 7.424 0.010 . 1 . . . . 106 . . . 5939 1 1080 . 1 1 106 106 SER HA H 1 5.031 0.010 . 1 . . . . 106 . . . 5939 1 1081 . 1 1 106 106 SER HB2 H 1 4.182 0.010 . 2 . . . . 106 . . . 5939 1 1082 . 1 1 106 106 SER HB3 H 1 3.855 0.010 . 2 . . . . 106 . . . 5939 1 1083 . 1 1 106 106 SER CA C 13 54.971 0.100 . 1 . . . . 106 . . . 5939 1 1084 . 1 1 106 106 SER CB C 13 65.306 0.100 . 1 . . . . 106 . . . 5939 1 1085 . 1 1 106 106 SER N N 15 109.133 0.050 . 1 . . . . 106 . . . 5939 1 1086 . 1 1 107 107 PRO HA H 1 4.359 0.010 . 1 . . . . 107 . . . 5939 1 1087 . 1 1 107 107 PRO HB2 H 1 2.329 0.010 . 2 . . . . 107 . . . 5939 1 1088 . 1 1 107 107 PRO HB3 H 1 2.021 0.010 . 2 . . . . 107 . . . 5939 1 1089 . 1 1 107 107 PRO HG2 H 1 2.190 0.010 . 2 . . . . 107 . . . 5939 1 1090 . 1 1 107 107 PRO HG3 H 1 1.860 0.010 . 2 . . . . 107 . . . 5939 1 1091 . 1 1 107 107 PRO CA C 13 64.289 0.100 . 1 . . . . 107 . . . 5939 1 1092 . 1 1 107 107 PRO CB C 13 32.136 0.100 . 1 . . . . 107 . . . 5939 1 1093 . 1 1 107 107 PRO CG C 13 27.796 0.100 . 1 . . . . 107 . . . 5939 1 1094 . 1 1 108 108 ALA H H 1 8.022 0.010 . 1 . . . . 108 . . . 5939 1 1095 . 1 1 108 108 ALA HA H 1 3.987 0.010 . 1 . . . . 108 . . . 5939 1 1096 . 1 1 108 108 ALA HB1 H 1 1.385 0.010 . 1 . . . . 108 . . . 5939 1 1097 . 1 1 108 108 ALA HB2 H 1 1.385 0.010 . 1 . . . . 108 . . . 5939 1 1098 . 1 1 108 108 ALA HB3 H 1 1.385 0.010 . 1 . . . . 108 . . . 5939 1 1099 . 1 1 108 108 ALA CA C 13 54.916 0.100 . 1 . . . . 108 . . . 5939 1 1100 . 1 1 108 108 ALA CB C 13 17.966 0.100 . 1 . . . . 108 . . . 5939 1 1101 . 1 1 108 108 ALA N N 15 121.011 0.050 . 1 . . . . 108 . . . 5939 1 1102 . 1 1 109 109 ASP H H 1 7.569 0.010 . 1 . . . . 109 . . . 5939 1 1103 . 1 1 109 109 ASP HA H 1 4.313 0.010 . 1 . . . . 109 . . . 5939 1 1104 . 1 1 109 109 ASP HB2 H 1 2.967 0.010 . 2 . . . . 109 . . . 5939 1 1105 . 1 1 109 109 ASP HB3 H 1 2.742 0.010 . 2 . . . . 109 . . . 5939 1 1106 . 1 1 109 109 ASP CA C 13 57.111 0.100 . 1 . . . . 109 . . . 5939 1 1107 . 1 1 109 109 ASP CB C 13 40.425 0.100 . 1 . . . . 109 . . . 5939 1 1108 . 1 1 109 109 ASP N N 15 121.236 0.050 . 1 . . . . 109 . . . 5939 1 1109 . 1 1 110 110 ALA H H 1 6.835 0.010 . 1 . . . . 110 . . . 5939 1 1110 . 1 1 110 110 ALA HA H 1 1.709 0.010 . 1 . . . . 110 . . . 5939 1 1111 . 1 1 110 110 ALA HB1 H 1 0.737 0.010 . 1 . . . . 110 . . . 5939 1 1112 . 1 1 110 110 ALA HB2 H 1 0.737 0.010 . 1 . . . . 110 . . . 5939 1 1113 . 1 1 110 110 ALA HB3 H 1 0.737 0.010 . 1 . . . . 110 . . . 5939 1 1114 . 1 1 110 110 ALA CA C 13 53.906 0.100 . 1 . . . . 110 . . . 5939 1 1115 . 1 1 110 110 ALA CB C 13 20.412 0.100 . 1 . . . . 110 . . . 5939 1 1116 . 1 1 110 110 ALA N N 15 122.207 0.050 . 1 . . . . 110 . . . 5939 1 1117 . 1 1 111 111 ARG H H 1 7.698 0.010 . 1 . . . . 111 . . . 5939 1 1118 . 1 1 111 111 ARG HA H 1 4.215 0.010 . 1 . . . . 111 . . . 5939 1 1119 . 1 1 111 111 ARG HB2 H 1 1.876 0.010 . 2 . . . . 111 . . . 5939 1 1120 . 1 1 111 111 ARG HB3 H 1 1.770 0.010 . 2 . . . . 111 . . . 5939 1 1121 . 1 1 111 111 ARG HG2 H 1 1.540 0.010 . 1 . . . . 111 . . . 5939 1 1122 . 1 1 111 111 ARG HG3 H 1 1.540 0.010 . 1 . . . . 111 . . . 5939 1 1123 . 1 1 111 111 ARG HD2 H 1 3.259 0.010 . 2 . . . . 111 . . . 5939 1 1124 . 1 1 111 111 ARG HD3 H 1 3.120 0.010 . 2 . . . . 111 . . . 5939 1 1125 . 1 1 111 111 ARG CA C 13 59.221 0.100 . 1 . . . . 111 . . . 5939 1 1126 . 1 1 111 111 ARG CB C 13 30.694 0.100 . 1 . . . . 111 . . . 5939 1 1127 . 1 1 111 111 ARG CG C 13 27.832 0.100 . 1 . . . . 111 . . . 5939 1 1128 . 1 1 111 111 ARG CD C 13 43.699 0.100 . 1 . . . . 111 . . . 5939 1 1129 . 1 1 111 111 ARG N N 15 116.159 0.050 . 1 . . . . 111 . . . 5939 1 1130 . 1 1 112 112 ALA H H 1 7.788 0.010 . 1 . . . . 112 . . . 5939 1 1131 . 1 1 112 112 ALA HA H 1 3.972 0.010 . 1 . . . . 112 . . . 5939 1 1132 . 1 1 112 112 ALA HB1 H 1 1.456 0.010 . 1 . . . . 112 . . . 5939 1 1133 . 1 1 112 112 ALA HB2 H 1 1.456 0.010 . 1 . . . . 112 . . . 5939 1 1134 . 1 1 112 112 ALA HB3 H 1 1.456 0.010 . 1 . . . . 112 . . . 5939 1 1135 . 1 1 112 112 ALA CA C 13 54.746 0.100 . 1 . . . . 112 . . . 5939 1 1136 . 1 1 112 112 ALA CB C 13 17.687 0.100 . 1 . . . . 112 . . . 5939 1 1137 . 1 1 112 112 ALA N N 15 121.812 0.050 . 1 . . . . 112 . . . 5939 1 1138 . 1 1 113 113 PHE H H 1 8.367 0.010 . 1 . . . . 113 . . . 5939 1 1139 . 1 1 113 113 PHE HA H 1 3.818 0.010 . 1 . . . . 113 . . . 5939 1 1140 . 1 1 113 113 PHE HB2 H 1 3.018 0.010 . 2 . . . . 113 . . . 5939 1 1141 . 1 1 113 113 PHE HB3 H 1 2.848 0.010 . 2 . . . . 113 . . . 5939 1 1142 . 1 1 113 113 PHE HD1 H 1 7.381 0.010 . 1 . . . . 113 . . . 5939 1 1143 . 1 1 113 113 PHE HD2 H 1 7.381 0.010 . 1 . . . . 113 . . . 5939 1 1144 . 1 1 113 113 PHE HE1 H 1 6.762 0.010 . 1 . . . . 113 . . . 5939 1 1145 . 1 1 113 113 PHE HE2 H 1 6.762 0.010 . 1 . . . . 113 . . . 5939 1 1146 . 1 1 113 113 PHE HZ H 1 6.620 0.010 . 1 . . . . 113 . . . 5939 1 1147 . 1 1 113 113 PHE CA C 13 63.168 0.100 . 1 . . . . 113 . . . 5939 1 1148 . 1 1 113 113 PHE CB C 13 40.707 0.100 . 1 . . . . 113 . . . 5939 1 1149 . 1 1 113 113 PHE CZ C 13 128.572 0.100 . 1 . . . . 113 . . . 5939 1 1150 . 1 1 113 113 PHE N N 15 122.385 0.050 . 1 . . . . 113 . . . 5939 1 1151 . 1 1 114 114 ASP H H 1 8.185 0.010 . 1 . . . . 114 . . . 5939 1 1152 . 1 1 114 114 ASP HA H 1 3.706 0.010 . 1 . . . . 114 . . . 5939 1 1153 . 1 1 114 114 ASP HB2 H 1 2.885 0.010 . 1 . . . . 114 . . . 5939 1 1154 . 1 1 114 114 ASP HB3 H 1 2.885 0.010 . 1 . . . . 114 . . . 5939 1 1155 . 1 1 114 114 ASP CA C 13 56.787 0.100 . 1 . . . . 114 . . . 5939 1 1156 . 1 1 114 114 ASP CB C 13 42.541 0.100 . 1 . . . . 114 . . . 5939 1 1157 . 1 1 114 114 ASP N N 15 118.859 0.050 . 1 . . . . 114 . . . 5939 1 1158 . 1 1 115 115 ARG H H 1 7.924 0.010 . 1 . . . . 115 . . . 5939 1 1159 . 1 1 115 115 ARG HA H 1 3.642 0.010 . 1 . . . . 115 . . . 5939 1 1160 . 1 1 115 115 ARG HB2 H 1 1.715 0.010 . 1 . . . . 115 . . . 5939 1 1161 . 1 1 115 115 ARG HB3 H 1 1.715 0.010 . 1 . . . . 115 . . . 5939 1 1162 . 1 1 115 115 ARG HG2 H 1 1.432 0.010 . 1 . . . . 115 . . . 5939 1 1163 . 1 1 115 115 ARG HG3 H 1 1.432 0.010 . 1 . . . . 115 . . . 5939 1 1164 . 1 1 115 115 ARG HD2 H 1 3.075 0.010 . 1 . . . . 115 . . . 5939 1 1165 . 1 1 115 115 ARG HD3 H 1 3.075 0.010 . 1 . . . . 115 . . . 5939 1 1166 . 1 1 115 115 ARG CA C 13 59.576 0.100 . 1 . . . . 115 . . . 5939 1 1167 . 1 1 115 115 ARG CB C 13 29.832 0.100 . 1 . . . . 115 . . . 5939 1 1168 . 1 1 115 115 ARG CG C 13 27.769 0.100 . 1 . . . . 115 . . . 5939 1 1169 . 1 1 115 115 ARG CD C 13 43.309 0.100 . 1 . . . . 115 . . . 5939 1 1170 . 1 1 115 115 ARG N N 15 116.154 0.050 . 1 . . . . 115 . . . 5939 1 1171 . 1 1 116 116 GLY H H 1 7.836 0.010 . 1 . . . . 116 . . . 5939 1 1172 . 1 1 116 116 GLY HA2 H 1 3.617 0.010 . 2 . . . . 116 . . . 5939 1 1173 . 1 1 116 116 GLY HA3 H 1 3.095 0.010 . 2 . . . . 116 . . . 5939 1 1174 . 1 1 116 116 GLY CA C 13 46.701 0.100 . 1 . . . . 116 . . . 5939 1 1175 . 1 1 116 116 GLY N N 15 108.048 0.050 . 1 . . . . 116 . . . 5939 1 1176 . 1 1 117 117 VAL H H 1 7.941 0.010 . 1 . . . . 117 . . . 5939 1 1177 . 1 1 117 117 VAL HA H 1 2.857 0.010 . 1 . . . . 117 . . . 5939 1 1178 . 1 1 117 117 VAL HB H 1 1.498 0.010 . 1 . . . . 117 . . . 5939 1 1179 . 1 1 117 117 VAL HG11 H 1 0.252 0.010 . 1 . . . . 117 . . . 5939 1 1180 . 1 1 117 117 VAL HG12 H 1 0.252 0.010 . 1 . . . . 117 . . . 5939 1 1181 . 1 1 117 117 VAL HG13 H 1 0.252 0.010 . 1 . . . . 117 . . . 5939 1 1182 . 1 1 117 117 VAL HG21 H 1 0.252 0.010 . 1 . . . . 117 . . . 5939 1 1183 . 1 1 117 117 VAL HG22 H 1 0.252 0.010 . 1 . . . . 117 . . . 5939 1 1184 . 1 1 117 117 VAL HG23 H 1 0.252 0.010 . 1 . . . . 117 . . . 5939 1 1185 . 1 1 117 117 VAL CA C 13 67.242 0.100 . 1 . . . . 117 . . . 5939 1 1186 . 1 1 117 117 VAL CB C 13 31.061 0.100 . 1 . . . . 117 . . . 5939 1 1187 . 1 1 117 117 VAL CG1 C 13 24.164 0.100 . 2 . . . . 117 . . . 5939 1 1188 . 1 1 117 117 VAL CG2 C 13 21.524 0.100 . 2 . . . . 117 . . . 5939 1 1189 . 1 1 117 117 VAL N N 15 122.754 0.050 . 1 . . . . 117 . . . 5939 1 1190 . 1 1 118 118 ARG H H 1 7.923 0.010 . 1 . . . . 118 . . . 5939 1 1191 . 1 1 118 118 ARG HA H 1 3.541 0.010 . 1 . . . . 118 . . . 5939 1 1192 . 1 1 118 118 ARG HB2 H 1 1.634 0.010 . 1 . . . . 118 . . . 5939 1 1193 . 1 1 118 118 ARG HB3 H 1 1.634 0.010 . 1 . . . . 118 . . . 5939 1 1194 . 1 1 118 118 ARG HG2 H 1 1.392 0.010 . 1 . . . . 118 . . . 5939 1 1195 . 1 1 118 118 ARG HG3 H 1 1.392 0.010 . 1 . . . . 118 . . . 5939 1 1196 . 1 1 118 118 ARG HD2 H 1 2.999 0.010 . 1 . . . . 118 . . . 5939 1 1197 . 1 1 118 118 ARG HD3 H 1 2.999 0.010 . 1 . . . . 118 . . . 5939 1 1198 . 1 1 118 118 ARG CA C 13 59.434 0.100 . 1 . . . . 118 . . . 5939 1 1199 . 1 1 118 118 ARG CB C 13 29.568 0.100 . 1 . . . . 118 . . . 5939 1 1200 . 1 1 118 118 ARG CG C 13 27.684 0.100 . 1 . . . . 118 . . . 5939 1 1201 . 1 1 118 118 ARG CD C 13 43.066 0.100 . 1 . . . . 118 . . . 5939 1 1202 . 1 1 118 118 ARG N N 15 117.297 0.050 . 1 . . . . 118 . . . 5939 1 1203 . 1 1 119 119 LYS H H 1 7.714 0.010 . 1 . . . . 119 . . . 5939 1 1204 . 1 1 119 119 LYS HA H 1 3.762 0.010 . 1 . . . . 119 . . . 5939 1 1205 . 1 1 119 119 LYS HB2 H 1 1.744 0.010 . 2 . . . . 119 . . . 5939 1 1206 . 1 1 119 119 LYS HB3 H 1 1.613 0.010 . 2 . . . . 119 . . . 5939 1 1207 . 1 1 119 119 LYS HG2 H 1 1.222 0.010 . 2 . . . . 119 . . . 5939 1 1208 . 1 1 119 119 LYS HG3 H 1 1.174 0.010 . 2 . . . . 119 . . . 5939 1 1209 . 1 1 119 119 LYS HD2 H 1 1.591 0.010 . 2 . . . . 119 . . . 5939 1 1210 . 1 1 119 119 LYS HD3 H 1 1.443 0.010 . 2 . . . . 119 . . . 5939 1 1211 . 1 1 119 119 LYS CA C 13 58.419 0.100 . 1 . . . . 119 . . . 5939 1 1212 . 1 1 119 119 LYS CB C 13 31.703 0.100 . 1 . . . . 119 . . . 5939 1 1213 . 1 1 119 119 LYS CG C 13 24.417 0.100 . 1 . . . . 119 . . . 5939 1 1214 . 1 1 119 119 LYS CD C 13 28.744 0.100 . 1 . . . . 119 . . . 5939 1 1215 . 1 1 119 119 LYS CE C 13 45.456 0.100 . 1 . . . . 119 . . . 5939 1 1216 . 1 1 119 119 LYS N N 15 120.152 0.050 . 1 . . . . 119 . . . 5939 1 1217 . 1 1 120 120 ALA H H 1 7.331 0.010 . 1 . . . . 120 . . . 5939 1 1218 . 1 1 120 120 ALA HA H 1 2.532 0.010 . 1 . . . . 120 . . . 5939 1 1219 . 1 1 120 120 ALA HB1 H 1 0.656 0.010 . 1 . . . . 120 . . . 5939 1 1220 . 1 1 120 120 ALA HB2 H 1 0.656 0.010 . 1 . . . . 120 . . . 5939 1 1221 . 1 1 120 120 ALA HB3 H 1 0.656 0.010 . 1 . . . . 120 . . . 5939 1 1222 . 1 1 120 120 ALA CA C 13 53.976 0.100 . 1 . . . . 120 . . . 5939 1 1223 . 1 1 120 120 ALA CB C 13 18.672 0.100 . 1 . . . . 120 . . . 5939 1 1224 . 1 1 120 120 ALA N N 15 120.515 0.050 . 1 . . . . 120 . . . 5939 1 1225 . 1 1 121 121 ILE H H 1 7.763 0.010 . 1 . . . . 121 . . . 5939 1 1226 . 1 1 121 121 ILE HA H 1 3.144 0.010 . 1 . . . . 121 . . . 5939 1 1227 . 1 1 121 121 ILE HB H 1 1.623 0.010 . 1 . . . . 121 . . . 5939 1 1228 . 1 1 121 121 ILE HG12 H 1 0.735 0.010 . 1 . . . . 121 . . . 5939 1 1229 . 1 1 121 121 ILE HG13 H 1 0.735 0.010 . 1 . . . . 121 . . . 5939 1 1230 . 1 1 121 121 ILE CA C 13 65.749 0.100 . 1 . . . . 121 . . . 5939 1 1231 . 1 1 121 121 ILE CB C 13 38.591 0.100 . 1 . . . . 121 . . . 5939 1 1232 . 1 1 121 121 ILE CG1 C 13 29.826 0.100 . 1 . . . . 121 . . . 5939 1 1233 . 1 1 121 121 ILE CG2 C 13 17.557 0.100 . 1 . . . . 121 . . . 5939 1 1234 . 1 1 121 121 ILE N N 15 115.042 0.050 . 1 . . . . 121 . . . 5939 1 1235 . 1 1 122 122 GLU H H 1 7.845 0.010 . 1 . . . . 122 . . . 5939 1 1236 . 1 1 122 122 GLU HA H 1 3.827 0.010 . 1 . . . . 122 . . . 5939 1 1237 . 1 1 122 122 GLU HB2 H 1 2.329 0.010 . 2 . . . . 122 . . . 5939 1 1238 . 1 1 122 122 GLU HB3 H 1 2.199 0.010 . 2 . . . . 122 . . . 5939 1 1239 . 1 1 122 122 GLU HG2 H 1 1.999 0.010 . 1 . . . . 122 . . . 5939 1 1240 . 1 1 122 122 GLU HG3 H 1 1.999 0.010 . 1 . . . . 122 . . . 5939 1 1241 . 1 1 122 122 GLU CA C 13 58.963 0.100 . 1 . . . . 122 . . . 5939 1 1242 . 1 1 122 122 GLU CB C 13 29.515 0.100 . 1 . . . . 122 . . . 5939 1 1243 . 1 1 122 122 GLU CG C 13 36.419 0.100 . 1 . . . . 122 . . . 5939 1 1244 . 1 1 122 122 GLU N N 15 118.723 0.050 . 1 . . . . 122 . . . 5939 1 1245 . 1 1 123 123 ASP H H 1 7.942 0.010 . 1 . . . . 123 . . . 5939 1 1246 . 1 1 123 123 ASP HA H 1 4.525 0.010 . 1 . . . . 123 . . . 5939 1 1247 . 1 1 123 123 ASP HB2 H 1 2.764 0.010 . 2 . . . . 123 . . . 5939 1 1248 . 1 1 123 123 ASP HB3 H 1 2.565 0.010 . 2 . . . . 123 . . . 5939 1 1249 . 1 1 123 123 ASP CA C 13 55.118 0.100 . 1 . . . . 123 . . . 5939 1 1250 . 1 1 123 123 ASP CB C 13 41.090 0.100 . 1 . . . . 123 . . . 5939 1 1251 . 1 1 123 123 ASP N N 15 118.393 0.050 . 1 . . . . 123 . . . 5939 1 1252 . 1 1 124 124 LEU H H 1 7.493 0.010 . 1 . . . . 124 . . . 5939 1 1253 . 1 1 124 124 LEU HA H 1 4.329 0.010 . 1 . . . . 124 . . . 5939 1 1254 . 1 1 124 124 LEU HB2 H 1 1.912 0.010 . 2 . . . . 124 . . . 5939 1 1255 . 1 1 124 124 LEU HB3 H 1 1.579 0.010 . 2 . . . . 124 . . . 5939 1 1256 . 1 1 124 124 LEU HG H 1 0.921 0.010 . 1 . . . . 124 . . . 5939 1 1257 . 1 1 124 124 LEU HD11 H 1 0.921 0.010 . 1 . . . . 124 . . . 5939 1 1258 . 1 1 124 124 LEU HD12 H 1 0.921 0.010 . 1 . . . . 124 . . . 5939 1 1259 . 1 1 124 124 LEU HD13 H 1 0.921 0.010 . 1 . . . . 124 . . . 5939 1 1260 . 1 1 124 124 LEU HD21 H 1 0.921 0.010 . 1 . . . . 124 . . . 5939 1 1261 . 1 1 124 124 LEU HD22 H 1 0.921 0.010 . 1 . . . . 124 . . . 5939 1 1262 . 1 1 124 124 LEU HD23 H 1 0.921 0.010 . 1 . . . . 124 . . . 5939 1 1263 . 1 1 124 124 LEU CA C 13 55.896 0.100 . 1 . . . . 124 . . . 5939 1 1264 . 1 1 124 124 LEU CB C 13 42.951 0.100 . 1 . . . . 124 . . . 5939 1 1265 . 1 1 124 124 LEU CG C 13 25.874 0.100 . 1 . . . . 124 . . . 5939 1 1266 . 1 1 124 124 LEU N N 15 122.274 0.050 . 1 . . . . 124 . . . 5939 1 1267 . 1 1 125 125 ILE H H 1 8.309 0.010 . 1 . . . . 125 . . . 5939 1 1268 . 1 1 125 125 ILE HA H 1 4.193 0.010 . 1 . . . . 125 . . . 5939 1 1269 . 1 1 125 125 ILE HB H 1 1.879 0.010 . 1 . . . . 125 . . . 5939 1 1270 . 1 1 125 125 ILE HG12 H 1 1.540 0.010 . 1 . . . . 125 . . . 5939 1 1271 . 1 1 125 125 ILE HG13 H 1 1.540 0.010 . 1 . . . . 125 . . . 5939 1 1272 . 1 1 125 125 ILE HG21 H 1 1.200 0.010 . 1 . . . . 125 . . . 5939 1 1273 . 1 1 125 125 ILE HG22 H 1 1.200 0.010 . 1 . . . . 125 . . . 5939 1 1274 . 1 1 125 125 ILE HG23 H 1 1.200 0.010 . 1 . . . . 125 . . . 5939 1 1275 . 1 1 125 125 ILE HD11 H 1 0.897 0.010 . 1 . . . . 125 . . . 5939 1 1276 . 1 1 125 125 ILE HD12 H 1 0.897 0.010 . 1 . . . . 125 . . . 5939 1 1277 . 1 1 125 125 ILE HD13 H 1 0.897 0.010 . 1 . . . . 125 . . . 5939 1 1278 . 1 1 125 125 ILE CA C 13 61.305 0.100 . 1 . . . . 125 . . . 5939 1 1279 . 1 1 125 125 ILE CB C 13 38.986 0.100 . 1 . . . . 125 . . . 5939 1 1280 . 1 1 125 125 ILE CG1 C 13 27.599 0.100 . 1 . . . . 125 . . . 5939 1 1281 . 1 1 125 125 ILE CG2 C 13 17.755 0.100 . 1 . . . . 125 . . . 5939 1 1282 . 1 1 125 125 ILE CD1 C 13 13.002 0.100 . 1 . . . . 125 . . . 5939 1 1283 . 1 1 125 125 ILE N N 15 123.181 0.050 . 1 . . . . 125 . . . 5939 1 1284 . 1 1 126 126 GLU H H 1 7.931 0.010 . 1 . . . . 126 . . . 5939 1 1285 . 1 1 126 126 GLU HA H 1 4.121 0.010 . 1 . . . . 126 . . . 5939 1 1286 . 1 1 126 126 GLU HB2 H 1 2.151 0.010 . 2 . . . . 126 . . . 5939 1 1287 . 1 1 126 126 GLU HB3 H 1 1.878 0.010 . 2 . . . . 126 . . . 5939 1 1288 . 1 1 126 126 GLU CA C 13 57.992 0.100 . 1 . . . . 126 . . . 5939 1 1289 . 1 1 126 126 GLU CB C 13 31.637 0.100 . 1 . . . . 126 . . . 5939 1 1290 . 1 1 126 126 GLU N N 15 128.646 0.050 . 1 . . . . 126 . . . 5939 1 stop_ save_