data_5888 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5888 _Entry.Title ; Backbone 1H, 15N, CA and CB assignments for the W7A mutant of rat nuclear transport factor 2 (NTF2) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-30 _Entry.Accession_date 2003-07-30 _Entry.Last_release_date 2003-12-19 _Entry.Original_release_date 2003-12-19 _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 Jonathan Morrison . . . 5888 2 Ji-Chun Yang . . . 5888 3 Murray Stewart . . . 5888 4 David Neuhaus . . . 5888 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5888 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 136 5888 '13C chemical shifts' 237 5888 '15N chemical shifts' 129 5888 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 . . 2003-12-19 2003-07-30 original author . 5888 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5888 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14556747 _Citation.Full_citation . _Citation.Title 'Solution NMR study of the interaction between NTF2 and nucleoporin FxFG repeats' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 333 _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 587 _Citation.Page_last 603 _Citation.Year 2003 _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 Jonathan Morrison . . . 5888 1 2 Ji-Chun Yang . . . 5888 1 3 Murray Stewart . . . 5888 1 4 David Neuhaus . . . 5888 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NTF2_W7A _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NTF2_W7A _Assembly.Entry_ID 5888 _Assembly.ID 1 _Assembly.Name 'nuclear transport factor 2 W7A mutant' _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 . _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 dimer 5888 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 'NTF2 W7A subunit 1' 1 $NTF2_W7A . . . native . . 1 . . 5888 1 2 'NTF2 W7A subunit 2' 1 $NTF2_W7A . . . native . . 1 . . 5888 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'nuclear transport factor 2 W7A mutant' system 5888 1 'NTF2 W7A' abbreviation 5888 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NTF2_W7A _Entity.Sf_category entity _Entity.Sf_framecode NTF2_W7A _Entity.Entry_ID 5888 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Nuclear transport factor 2 W7A mutant' _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 ; MGDKPIAEQIGSSFIQHYYQ LFDNDRTQLGAIYIDASCLT WEGQQFQGKAAIVEKLSSLP FQKIQHSITAQDHQPTPDSC IISMVVGQLKADEDPIMGFH QMFLLKNINDAWVCTNDMFR LALHNFG ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5887 . NTF2 . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 2 no PDB 1A2K . "Gdpran-Ntf2 Complex" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 3 no PDB 1AR0 . "Nuclear Transport Factor 2 (Ntf2) E42k Mutant" . . . . . 100.00 127 98.43 99.21 4.21e-87 . . . . 5888 1 4 no PDB 1ASK . "Nuclear Transport Factor 2 (Ntf2) H66a Mutant" . . . . . 100.00 127 98.43 98.43 1.61e-86 . . . . 5888 1 5 no PDB 1GY5 . "D92n,D94n Double Point Mutant Of Human Nuclear Transport Factor 2 (Ntf2)" . . . . . 100.00 127 97.64 99.21 1.48e-86 . . . . 5888 1 6 no PDB 1GY6 . "Ntf2 From Rat, Ammonium Sulphate Conditions" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 7 no PDB 1JB2 . "Crystal Structure Of Ntf2 M84e Mutant" . . . . . 100.00 127 97.64 97.64 7.78e-86 . . . . 5888 1 8 no PDB 1JB4 . "Crystal Structure Of Ntf2 M102e Mutant" . . . . . 100.00 127 97.64 97.64 7.78e-86 . . . . 5888 1 9 no PDB 1JB5 . "Crystal Structure Of Ntf2 M118e Mutant" . . . . . 100.00 127 97.64 97.64 7.78e-86 . . . . 5888 1 10 no PDB 1OUN . "Crystal Structure Of Nuclear Transport Factor 2 (Ntf2)" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 11 no PDB 1QMA . "Nuclear Transport Factor 2 (Ntf2) W7a Mutant" . . . . . 99.21 126 100.00 100.00 4.16e-88 . . . . 5888 1 12 no PDB 1U5O . "Structure Of The D23a Mutant Of The Nuclear Transport Carrier Ntf2" . . . . . 100.00 127 98.43 98.43 1.07e-86 . . . . 5888 1 13 no DBJ BAB22117 . "unnamed protein product [Mus musculus]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 14 no DBJ BAB28283 . "unnamed protein product [Mus musculus]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 15 no DBJ BAB32122 . "unnamed protein product [Mus musculus]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 16 no DBJ BAC25936 . "unnamed protein product [Mus musculus]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 17 no DBJ BAC34511 . "unnamed protein product [Mus musculus]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 18 no EMBL CAA30278 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 19 no EMBL CAA62839 . "nuclear transport factor 2 [Rattus norvegicus]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 20 no EMBL CAG33218 . "NUTF2 [Homo sapiens]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 21 no EMBL CAH91946 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 127 98.43 99.21 5.72e-87 . . . . 5888 1 22 no GB AAA85905 . "nuclear transport factor 2 [Homo sapiens]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 23 no GB AAH02348 . "Nuclear transport factor 2 [Homo sapiens]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 24 no GB AAH03955 . "Nuclear transport factor 2 [Mus musculus]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 25 no GB AAH61569 . "Nuclear transport factor 2 [Rattus norvegicus]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 26 no GB AAH83165 . "Nuclear transport factor 2 [Mus musculus]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 27 no REF NP_001007630 . "nuclear transport factor 2 [Rattus norvegicus]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 28 no REF NP_001032713 . "nuclear transport factor 2 [Bos taurus]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 29 no REF NP_001126129 . "nuclear transport factor 2 [Pongo abelii]" . . . . . 100.00 127 98.43 99.21 5.72e-87 . . . . 5888 1 30 no REF NP_001271650 . "uncharacterized protein LOC101865641 [Macaca fascicularis]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 31 no REF NP_005787 . "nuclear transport factor 2 [Homo sapiens]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 32 no SP P61970 . "RecName: Full=Nuclear transport factor 2; Short=NTF-2; AltName: Full=Placental protein 15; Short=PP15 [Homo sapiens]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 33 no SP P61971 . "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Mus musculus]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 34 no SP P61972 . "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Rattus norvegicus]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 35 no SP Q32KP9 . "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Bos taurus]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 36 no SP Q5R8G4 . "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Pongo abelii]" . . . . . 100.00 127 98.43 99.21 5.72e-87 . . . . 5888 1 37 no TPG DAA20137 . "TPA: nuclear transport factor 2 [Bos taurus]" . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5888 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Nuclear transport factor 2 W7A mutant' common 5888 1 W7A variant 5888 1 'NTF2 W7A' abbreviation 5888 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 . MET . 5888 1 2 . GLY . 5888 1 3 . ASP . 5888 1 4 . LYS . 5888 1 5 . PRO . 5888 1 6 . ILE . 5888 1 7 . ALA . 5888 1 8 . GLU . 5888 1 9 . GLN . 5888 1 10 . ILE . 5888 1 11 . GLY . 5888 1 12 . SER . 5888 1 13 . SER . 5888 1 14 . PHE . 5888 1 15 . ILE . 5888 1 16 . GLN . 5888 1 17 . HIS . 5888 1 18 . TYR . 5888 1 19 . TYR . 5888 1 20 . GLN . 5888 1 21 . LEU . 5888 1 22 . PHE . 5888 1 23 . ASP . 5888 1 24 . ASN . 5888 1 25 . ASP . 5888 1 26 . ARG . 5888 1 27 . THR . 5888 1 28 . GLN . 5888 1 29 . LEU . 5888 1 30 . GLY . 5888 1 31 . ALA . 5888 1 32 . ILE . 5888 1 33 . TYR . 5888 1 34 . ILE . 5888 1 35 . ASP . 5888 1 36 . ALA . 5888 1 37 . SER . 5888 1 38 . CYS . 5888 1 39 . LEU . 5888 1 40 . THR . 5888 1 41 . TRP . 5888 1 42 . GLU . 5888 1 43 . GLY . 5888 1 44 . GLN . 5888 1 45 . GLN . 5888 1 46 . PHE . 5888 1 47 . GLN . 5888 1 48 . GLY . 5888 1 49 . LYS . 5888 1 50 . ALA . 5888 1 51 . ALA . 5888 1 52 . ILE . 5888 1 53 . VAL . 5888 1 54 . GLU . 5888 1 55 . LYS . 5888 1 56 . LEU . 5888 1 57 . SER . 5888 1 58 . SER . 5888 1 59 . LEU . 5888 1 60 . PRO . 5888 1 61 . PHE . 5888 1 62 . GLN . 5888 1 63 . LYS . 5888 1 64 . ILE . 5888 1 65 . GLN . 5888 1 66 . HIS . 5888 1 67 . SER . 5888 1 68 . ILE . 5888 1 69 . THR . 5888 1 70 . ALA . 5888 1 71 . GLN . 5888 1 72 . ASP . 5888 1 73 . HIS . 5888 1 74 . GLN . 5888 1 75 . PRO . 5888 1 76 . THR . 5888 1 77 . PRO . 5888 1 78 . ASP . 5888 1 79 . SER . 5888 1 80 . CYS . 5888 1 81 . ILE . 5888 1 82 . ILE . 5888 1 83 . SER . 5888 1 84 . MET . 5888 1 85 . VAL . 5888 1 86 . VAL . 5888 1 87 . GLY . 5888 1 88 . GLN . 5888 1 89 . LEU . 5888 1 90 . LYS . 5888 1 91 . ALA . 5888 1 92 . ASP . 5888 1 93 . GLU . 5888 1 94 . ASP . 5888 1 95 . PRO . 5888 1 96 . ILE . 5888 1 97 . MET . 5888 1 98 . GLY . 5888 1 99 . PHE . 5888 1 100 . HIS . 5888 1 101 . GLN . 5888 1 102 . MET . 5888 1 103 . PHE . 5888 1 104 . LEU . 5888 1 105 . LEU . 5888 1 106 . LYS . 5888 1 107 . ASN . 5888 1 108 . ILE . 5888 1 109 . ASN . 5888 1 110 . ASP . 5888 1 111 . ALA . 5888 1 112 . TRP . 5888 1 113 . VAL . 5888 1 114 . CYS . 5888 1 115 . THR . 5888 1 116 . ASN . 5888 1 117 . ASP . 5888 1 118 . MET . 5888 1 119 . PHE . 5888 1 120 . ARG . 5888 1 121 . LEU . 5888 1 122 . ALA . 5888 1 123 . LEU . 5888 1 124 . HIS . 5888 1 125 . ASN . 5888 1 126 . PHE . 5888 1 127 . GLY . 5888 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 . MET 1 1 5888 1 . GLY 2 2 5888 1 . ASP 3 3 5888 1 . LYS 4 4 5888 1 . PRO 5 5 5888 1 . ILE 6 6 5888 1 . ALA 7 7 5888 1 . GLU 8 8 5888 1 . GLN 9 9 5888 1 . ILE 10 10 5888 1 . GLY 11 11 5888 1 . SER 12 12 5888 1 . SER 13 13 5888 1 . PHE 14 14 5888 1 . ILE 15 15 5888 1 . GLN 16 16 5888 1 . HIS 17 17 5888 1 . TYR 18 18 5888 1 . TYR 19 19 5888 1 . GLN 20 20 5888 1 . LEU 21 21 5888 1 . PHE 22 22 5888 1 . ASP 23 23 5888 1 . ASN 24 24 5888 1 . ASP 25 25 5888 1 . ARG 26 26 5888 1 . THR 27 27 5888 1 . GLN 28 28 5888 1 . LEU 29 29 5888 1 . GLY 30 30 5888 1 . ALA 31 31 5888 1 . ILE 32 32 5888 1 . TYR 33 33 5888 1 . ILE 34 34 5888 1 . ASP 35 35 5888 1 . ALA 36 36 5888 1 . SER 37 37 5888 1 . CYS 38 38 5888 1 . LEU 39 39 5888 1 . THR 40 40 5888 1 . TRP 41 41 5888 1 . GLU 42 42 5888 1 . GLY 43 43 5888 1 . GLN 44 44 5888 1 . GLN 45 45 5888 1 . PHE 46 46 5888 1 . GLN 47 47 5888 1 . GLY 48 48 5888 1 . LYS 49 49 5888 1 . ALA 50 50 5888 1 . ALA 51 51 5888 1 . ILE 52 52 5888 1 . VAL 53 53 5888 1 . GLU 54 54 5888 1 . LYS 55 55 5888 1 . LEU 56 56 5888 1 . SER 57 57 5888 1 . SER 58 58 5888 1 . LEU 59 59 5888 1 . PRO 60 60 5888 1 . PHE 61 61 5888 1 . GLN 62 62 5888 1 . LYS 63 63 5888 1 . ILE 64 64 5888 1 . GLN 65 65 5888 1 . HIS 66 66 5888 1 . SER 67 67 5888 1 . ILE 68 68 5888 1 . THR 69 69 5888 1 . ALA 70 70 5888 1 . GLN 71 71 5888 1 . ASP 72 72 5888 1 . HIS 73 73 5888 1 . GLN 74 74 5888 1 . PRO 75 75 5888 1 . THR 76 76 5888 1 . PRO 77 77 5888 1 . ASP 78 78 5888 1 . SER 79 79 5888 1 . CYS 80 80 5888 1 . ILE 81 81 5888 1 . ILE 82 82 5888 1 . SER 83 83 5888 1 . MET 84 84 5888 1 . VAL 85 85 5888 1 . VAL 86 86 5888 1 . GLY 87 87 5888 1 . GLN 88 88 5888 1 . LEU 89 89 5888 1 . LYS 90 90 5888 1 . ALA 91 91 5888 1 . ASP 92 92 5888 1 . GLU 93 93 5888 1 . ASP 94 94 5888 1 . PRO 95 95 5888 1 . ILE 96 96 5888 1 . MET 97 97 5888 1 . GLY 98 98 5888 1 . PHE 99 99 5888 1 . HIS 100 100 5888 1 . GLN 101 101 5888 1 . MET 102 102 5888 1 . PHE 103 103 5888 1 . LEU 104 104 5888 1 . LEU 105 105 5888 1 . LYS 106 106 5888 1 . ASN 107 107 5888 1 . ILE 108 108 5888 1 . ASN 109 109 5888 1 . ASP 110 110 5888 1 . ALA 111 111 5888 1 . TRP 112 112 5888 1 . VAL 113 113 5888 1 . CYS 114 114 5888 1 . THR 115 115 5888 1 . ASN 116 116 5888 1 . ASP 117 117 5888 1 . MET 118 118 5888 1 . PHE 119 119 5888 1 . ARG 120 120 5888 1 . LEU 121 121 5888 1 . ALA 122 122 5888 1 . LEU 123 123 5888 1 . HIS 124 124 5888 1 . ASN 125 125 5888 1 . PHE 126 126 5888 1 . GLY 127 127 5888 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 5888 _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 $NTF2_W7A . 10116 . . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 5888 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 5888 _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 $NTF2_W7A . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5888 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5888 _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 'Nuclear transport factor 2 W7A mutant' . . . 1 $NTF2_W7A . . . 0.4 1 mM . . . . 5888 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5888 1 3 'sodium chloride' . . . . . . . 50 . . mM . . . . 5888 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5888 _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 'Nuclear transport factor 2 W7A mutant' '[U-98% 15N]' . . 1 $NTF2_W7A . . . 0.4 1 mM . . . . 5888 2 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5888 2 3 'sodium chloride' . . . . . . . 50 . . mM . . . . 5888 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5888 _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 'Nuclear transport factor 2 W7A mutant' '[U-98% 13C; U-98% 15N]' . . 1 $NTF2_W7A . . . 0.4 1 mM . . . . 5888 3 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5888 3 3 'sodium chloride' . . . . . . . 50 . . mM . . . . 5888 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5888 _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 6.5 0.2 n/a 5888 1 temperature 300 0.5 K 5888 1 stop_ save_ ############################ # Computer software used # ############################ save_xwin-nmr _Software.Sf_category software _Software.Sf_framecode xwin-nmr _Software.Entry_ID 5888 _Software.ID 1 _Software.Name xwin-nmr _Software.Version 2.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5888 1 stop_ save_ save_sparky _Software.Sf_category software _Software.Sf_framecode sparky _Software.Entry_ID 5888 _Software.ID 2 _Software.Name sparky _Software.Version 3.91 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'visualisation during assignment' 5888 2 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 5888 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5888 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5888 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5888 _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 Avance . 800 . . . 5888 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5888 1 3 NMR_spectrometer_3 Bruker DRX . 500 . . . 5888 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 5888 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 15N-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5888 1 2 '2D 13C-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5888 1 3 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5888 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5888 1 5 '3D HNHAHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5888 1 6 '3D HBHA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5888 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 5888 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5888 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 13C-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 5888 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5888 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D CBCA(CO)NH' _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 5888 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNHAHB' _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 5888 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HBHA(CO)NH' _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 5888 _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 . . . . . . . . . 5888 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5888 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5888 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 5888 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 5888 1 . . 2 $sample_2 . 5888 1 . . 3 $sample_3 . 5888 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 2 2 GLY H H 1 8.62 0.02 . 1 . . . . . . . . 5888 1 2 . 1 1 2 2 GLY CA C 13 42.9 0.2 . 1 . . . . . . . . 5888 1 3 . 1 1 2 2 GLY N N 15 110.2 0.2 . 1 . . . . . . . . 5888 1 4 . 1 1 3 3 ASP H H 1 8.43 0.02 . 1 . . . . . . . . 5888 1 5 . 1 1 3 3 ASP CA C 13 51.9 0.2 . 1 . . . . . . . . 5888 1 6 . 1 1 3 3 ASP CB C 13 39.2 0.2 . 1 . . . . . . . . 5888 1 7 . 1 1 3 3 ASP N N 15 119.8 0.2 . 1 . . . . . . . . 5888 1 8 . 1 1 4 4 LYS H H 1 8.51 0.02 . 1 . . . . . . . . 5888 1 9 . 1 1 4 4 LYS CA C 13 47.2 0.2 . 1 . . . . . . . . 5888 1 10 . 1 1 4 4 LYS CB C 13 30.3 0.2 . 1 . . . . . . . . 5888 1 11 . 1 1 4 4 LYS N N 15 122.1 0.2 . 1 . . . . . . . . 5888 1 12 . 1 1 5 5 PRO CA C 13 60.6 0.2 . 1 . . . . . . . . 5888 1 13 . 1 1 5 5 PRO CB C 13 30.2 0.2 . 1 . . . . . . . . 5888 1 14 . 1 1 6 6 ILE H H 1 8.67 0.02 . 1 . . . . . . . . 5888 1 15 . 1 1 6 6 ILE CA C 13 60.9 0.2 . 1 . . . . . . . . 5888 1 16 . 1 1 6 6 ILE CB C 13 35.2 0.2 . 1 . . . . . . . . 5888 1 17 . 1 1 6 6 ILE N N 15 123.5 0.2 . 1 . . . . . . . . 5888 1 18 . 1 1 7 7 ALA H H 1 8.82 0.02 . 1 . . . . . . . . 5888 1 19 . 1 1 7 7 ALA CA C 13 52.9 0.2 . 1 . . . . . . . . 5888 1 20 . 1 1 7 7 ALA CB C 13 15.8 0.2 . 1 . . . . . . . . 5888 1 21 . 1 1 7 7 ALA N N 15 122.6 0.2 . 1 . . . . . . . . 5888 1 22 . 1 1 8 8 GLU H H 1 7.45 0.02 . 1 . . . . . . . . 5888 1 23 . 1 1 8 8 GLU CA C 13 55.8 0.2 . 1 . . . . . . . . 5888 1 24 . 1 1 8 8 GLU CB C 13 27.2 0.2 . 1 . . . . . . . . 5888 1 25 . 1 1 8 8 GLU N N 15 114.1 0.2 . 1 . . . . . . . . 5888 1 26 . 1 1 9 9 GLN H H 1 7.79 0.02 . 1 . . . . . . . . 5888 1 27 . 1 1 9 9 GLN HE21 H 1 7.32 0.02 . 2 . . . . . . . . 5888 1 28 . 1 1 9 9 GLN HE22 H 1 6.72 0.02 . 2 . . . . . . . . 5888 1 29 . 1 1 9 9 GLN CA C 13 57.0 0.2 . 1 . . . . . . . . 5888 1 30 . 1 1 9 9 GLN CB C 13 26.4 0.2 . 1 . . . . . . . . 5888 1 31 . 1 1 9 9 GLN N N 15 120.5 0.2 . 1 . . . . . . . . 5888 1 32 . 1 1 9 9 GLN NE2 N 15 110.9 0.2 . 1 . . . . . . . . 5888 1 33 . 1 1 10 10 ILE H H 1 8.04 0.02 . 1 . . . . . . . . 5888 1 34 . 1 1 10 10 ILE CA C 13 61.3 0.2 . 1 . . . . . . . . 5888 1 35 . 1 1 10 10 ILE CB C 13 35.2 0.2 . 1 . . . . . . . . 5888 1 36 . 1 1 10 10 ILE N N 15 119.4 0.2 . 1 . . . . . . . . 5888 1 37 . 1 1 11 11 GLY H H 1 8.23 0.02 . 1 . . . . . . . . 5888 1 38 . 1 1 11 11 GLY CA C 13 44.9 0.2 . 1 . . . . . . . . 5888 1 39 . 1 1 11 11 GLY N N 15 107.9 0.2 . 1 . . . . . . . . 5888 1 40 . 1 1 12 12 SER H H 1 7.59 0.02 . 1 . . . . . . . . 5888 1 41 . 1 1 12 12 SER CA C 13 59.2 0.2 . 1 . . . . . . . . 5888 1 42 . 1 1 12 12 SER CB C 13 60.4 0.2 . 1 . . . . . . . . 5888 1 43 . 1 1 12 12 SER N N 15 114.7 0.2 . 1 . . . . . . . . 5888 1 44 . 1 1 13 13 SER H H 1 7.30 0.02 . 1 . . . . . . . . 5888 1 45 . 1 1 13 13 SER CA C 13 59.8 0.2 . 1 . . . . . . . . 5888 1 46 . 1 1 13 13 SER CB C 13 60.6 0.2 . 1 . . . . . . . . 5888 1 47 . 1 1 13 13 SER N N 15 117.9 0.2 . 1 . . . . . . . . 5888 1 48 . 1 1 14 14 PHE H H 1 8.31 0.02 . 1 . . . . . . . . 5888 1 49 . 1 1 14 14 PHE CA C 13 59.8 0.2 . 1 . . . . . . . . 5888 1 50 . 1 1 14 14 PHE CB C 13 36.8 0.2 . 1 . . . . . . . . 5888 1 51 . 1 1 14 14 PHE N N 15 123.4 0.2 . 1 . . . . . . . . 5888 1 52 . 1 1 15 15 ILE H H 1 8.65 0.02 . 1 . . . . . . . . 5888 1 53 . 1 1 15 15 ILE CA C 13 61.5 0.2 . 1 . . . . . . . . 5888 1 54 . 1 1 15 15 ILE CB C 13 34.7 0.2 . 1 . . . . . . . . 5888 1 55 . 1 1 15 15 ILE N N 15 117.1 0.2 . 1 . . . . . . . . 5888 1 56 . 1 1 16 16 GLN H H 1 7.79 0.02 . 1 . . . . . . . . 5888 1 57 . 1 1 16 16 GLN CA C 13 57.0 0.2 . 1 . . . . . . . . 5888 1 58 . 1 1 16 16 GLN CB C 13 26.0 0.2 . 1 . . . . . . . . 5888 1 59 . 1 1 16 16 GLN N N 15 118.7 0.2 . 1 . . . . . . . . 5888 1 60 . 1 1 17 17 HIS H H 1 7.66 0.02 . 1 . . . . . . . . 5888 1 61 . 1 1 17 17 HIS CA C 13 56.0 0.2 . 1 . . . . . . . . 5888 1 62 . 1 1 17 17 HIS CB C 13 26.6 0.2 . 1 . . . . . . . . 5888 1 63 . 1 1 17 17 HIS N N 15 117.6 0.2 . 1 . . . . . . . . 5888 1 64 . 1 1 18 18 TYR H H 1 8.71 0.02 . 1 . . . . . . . . 5888 1 65 . 1 1 18 18 TYR CA C 13 59.9 0.2 . 1 . . . . . . . . 5888 1 66 . 1 1 18 18 TYR CB C 13 35.8 0.2 . 1 . . . . . . . . 5888 1 67 . 1 1 18 18 TYR N N 15 119.9 0.2 . 1 . . . . . . . . 5888 1 68 . 1 1 19 19 TYR H H 1 8.10 0.02 . 1 . . . . . . . . 5888 1 69 . 1 1 19 19 TYR CA C 13 60.2 0.2 . 1 . . . . . . . . 5888 1 70 . 1 1 19 19 TYR CB C 13 34.7 0.2 . 1 . . . . . . . . 5888 1 71 . 1 1 19 19 TYR N N 15 114.5 0.2 . 1 . . . . . . . . 5888 1 72 . 1 1 20 20 GLN H H 1 7.73 0.02 . 1 . . . . . . . . 5888 1 73 . 1 1 20 20 GLN CA C 13 57.1 0.2 . 1 . . . . . . . . 5888 1 74 . 1 1 20 20 GLN CB C 13 25.8 0.2 . 1 . . . . . . . . 5888 1 75 . 1 1 20 20 GLN N N 15 119.9 0.2 . 1 . . . . . . . . 5888 1 76 . 1 1 21 21 LEU H H 1 7.92 0.02 . 1 . . . . . . . . 5888 1 77 . 1 1 21 21 LEU CA C 13 55.2 0.2 . 1 . . . . . . . . 5888 1 78 . 1 1 21 21 LEU CB C 13 39.3 0.2 . 1 . . . . . . . . 5888 1 79 . 1 1 21 21 LEU N N 15 119.0 0.2 . 1 . . . . . . . . 5888 1 80 . 1 1 22 22 PHE H H 1 8.85 0.02 . 1 . . . . . . . . 5888 1 81 . 1 1 22 22 PHE CA C 13 58.2 0.2 . 1 . . . . . . . . 5888 1 82 . 1 1 22 22 PHE CB C 13 36.7 0.2 . 1 . . . . . . . . 5888 1 83 . 1 1 22 22 PHE N N 15 120.0 0.2 . 1 . . . . . . . . 5888 1 84 . 1 1 23 23 ASP H H 1 8.32 0.02 . 1 . . . . . . . . 5888 1 85 . 1 1 23 23 ASP CA C 13 53.0 0.2 . 1 . . . . . . . . 5888 1 86 . 1 1 23 23 ASP CB C 13 37.1 0.2 . 1 . . . . . . . . 5888 1 87 . 1 1 23 23 ASP N N 15 113.9 0.2 . 1 . . . . . . . . 5888 1 88 . 1 1 24 24 ASN H H 1 7.74 0.02 . 1 . . . . . . . . 5888 1 89 . 1 1 24 24 ASN HD21 H 1 8.15 0.02 . 2 . . . . . . . . 5888 1 90 . 1 1 24 24 ASN HD22 H 1 7.22 0.02 . 2 . . . . . . . . 5888 1 91 . 1 1 24 24 ASN CA C 13 52.8 0.2 . 1 . . . . . . . . 5888 1 92 . 1 1 24 24 ASN CB C 13 39.2 0.2 . 1 . . . . . . . . 5888 1 93 . 1 1 24 24 ASN N N 15 117.3 0.2 . 1 . . . . . . . . 5888 1 94 . 1 1 24 24 ASN ND2 N 15 114.8 0.2 . 1 . . . . . . . . 5888 1 95 . 1 1 25 25 ASP H H 1 8.94 0.02 . 1 . . . . . . . . 5888 1 96 . 1 1 25 25 ASP CA C 13 51.7 0.2 . 1 . . . . . . . . 5888 1 97 . 1 1 25 25 ASP CB C 13 37.1 0.2 . 1 . . . . . . . . 5888 1 98 . 1 1 25 25 ASP N N 15 118.4 0.2 . 1 . . . . . . . . 5888 1 99 . 1 1 26 26 ARG H H 1 8.66 0.02 . 1 . . . . . . . . 5888 1 100 . 1 1 26 26 ARG CA C 13 56.2 0.2 . 1 . . . . . . . . 5888 1 101 . 1 1 26 26 ARG CB C 13 26.7 0.2 . 1 . . . . . . . . 5888 1 102 . 1 1 26 26 ARG N N 15 123.9 0.2 . 1 . . . . . . . . 5888 1 103 . 1 1 27 27 THR H H 1 8.03 0.02 . 1 . . . . . . . . 5888 1 104 . 1 1 27 27 THR CA C 13 62.1 0.2 . 1 . . . . . . . . 5888 1 105 . 1 1 27 27 THR CB C 13 66.2 0.2 . 1 . . . . . . . . 5888 1 106 . 1 1 27 27 THR N N 15 109.3 0.2 . 1 . . . . . . . . 5888 1 107 . 1 1 28 28 GLN H H 1 7.71 0.02 . 1 . . . . . . . . 5888 1 108 . 1 1 28 28 GLN HE21 H 1 7.62 0.02 . 2 . . . . . . . . 5888 1 109 . 1 1 28 28 GLN HE22 H 1 6.83 0.02 . 2 . . . . . . . . 5888 1 110 . 1 1 28 28 GLN CA C 13 53.4 0.2 . 1 . . . . . . . . 5888 1 111 . 1 1 28 28 GLN CB C 13 26.6 0.2 . 1 . . . . . . . . 5888 1 112 . 1 1 28 28 GLN N N 15 118.1 0.2 . 1 . . . . . . . . 5888 1 113 . 1 1 28 28 GLN NE2 N 15 113.2 0.2 . 1 . . . . . . . . 5888 1 114 . 1 1 29 29 LEU H H 1 7.30 0.02 . 1 . . . . . . . . 5888 1 115 . 1 1 29 29 LEU CA C 13 54.6 0.2 . 1 . . . . . . . . 5888 1 116 . 1 1 29 29 LEU CB C 13 40.1 0.2 . 1 . . . . . . . . 5888 1 117 . 1 1 29 29 LEU N N 15 117.9 0.2 . 1 . . . . . . . . 5888 1 118 . 1 1 30 30 GLY H H 1 8.07 0.02 . 1 . . . . . . . . 5888 1 119 . 1 1 30 30 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 5888 1 120 . 1 1 30 30 GLY N N 15 104.3 0.2 . 1 . . . . . . . . 5888 1 121 . 1 1 31 31 ALA H H 1 7.21 0.02 . 1 . . . . . . . . 5888 1 122 . 1 1 31 31 ALA CA C 13 51.6 0.2 . 1 . . . . . . . . 5888 1 123 . 1 1 31 31 ALA CB C 13 17.1 0.2 . 1 . . . . . . . . 5888 1 124 . 1 1 31 31 ALA N N 15 117.6 0.2 . 1 . . . . . . . . 5888 1 125 . 1 1 32 32 ILE H H 1 7.67 0.02 . 1 . . . . . . . . 5888 1 126 . 1 1 32 32 ILE CA C 13 58.1 0.2 . 1 . . . . . . . . 5888 1 127 . 1 1 32 32 ILE CB C 13 35.5 0.2 . 1 . . . . . . . . 5888 1 128 . 1 1 32 32 ILE N N 15 111.1 0.2 . 1 . . . . . . . . 5888 1 129 . 1 1 33 33 TYR H H 1 7.25 0.02 . 1 . . . . . . . . 5888 1 130 . 1 1 33 33 TYR CA C 13 54.8 0.2 . 1 . . . . . . . . 5888 1 131 . 1 1 33 33 TYR CB C 13 40.0 0.2 . 1 . . . . . . . . 5888 1 132 . 1 1 33 33 TYR N N 15 116.8 0.2 . 1 . . . . . . . . 5888 1 133 . 1 1 34 34 ILE H H 1 9.06 0.02 . 1 . . . . . . . . 5888 1 134 . 1 1 34 34 ILE CA C 13 57.5 0.2 . 1 . . . . . . . . 5888 1 135 . 1 1 34 34 ILE CB C 13 39.9 0.2 . 1 . . . . . . . . 5888 1 136 . 1 1 34 34 ILE N N 15 111.4 0.2 . 1 . . . . . . . . 5888 1 137 . 1 1 35 35 ASP H H 1 8.87 0.02 . 1 . . . . . . . . 5888 1 138 . 1 1 35 35 ASP CA C 13 56.6 0.2 . 1 . . . . . . . . 5888 1 139 . 1 1 35 35 ASP CB C 13 37.4 0.2 . 1 . . . . . . . . 5888 1 140 . 1 1 35 35 ASP N N 15 122.4 0.2 . 1 . . . . . . . . 5888 1 141 . 1 1 36 36 ALA H H 1 7.85 0.02 . 1 . . . . . . . . 5888 1 142 . 1 1 36 36 ALA CA C 13 49.3 0.2 . 1 . . . . . . . . 5888 1 143 . 1 1 36 36 ALA CB C 13 16.6 0.2 . 1 . . . . . . . . 5888 1 144 . 1 1 36 36 ALA N N 15 117.8 0.2 . 1 . . . . . . . . 5888 1 145 . 1 1 37 37 SER H H 1 7.94 0.02 . 1 . . . . . . . . 5888 1 146 . 1 1 37 37 SER CA C 13 59.0 0.2 . 1 . . . . . . . . 5888 1 147 . 1 1 37 37 SER CB C 13 62.1 0.2 . 1 . . . . . . . . 5888 1 148 . 1 1 37 37 SER N N 15 116.5 0.2 . 1 . . . . . . . . 5888 1 149 . 1 1 38 38 CYS H H 1 8.13 0.02 . 1 . . . . . . . . 5888 1 150 . 1 1 38 38 CYS CA C 13 56.1 0.2 . 1 . . . . . . . . 5888 1 151 . 1 1 38 38 CYS CB C 13 28.2 0.2 . 1 . . . . . . . . 5888 1 152 . 1 1 38 38 CYS N N 15 120.4 0.2 . 1 . . . . . . . . 5888 1 153 . 1 1 39 39 LEU H H 1 8.85 0.02 . 1 . . . . . . . . 5888 1 154 . 1 1 39 39 LEU CA C 13 50.4 0.2 . 1 . . . . . . . . 5888 1 155 . 1 1 39 39 LEU CB C 13 45.7 0.2 . 1 . . . . . . . . 5888 1 156 . 1 1 39 39 LEU N N 15 127.3 0.2 . 1 . . . . . . . . 5888 1 157 . 1 1 40 40 THR H H 1 9.21 0.02 . 1 . . . . . . . . 5888 1 158 . 1 1 40 40 THR CA C 13 59.7 0.2 . 1 . . . . . . . . 5888 1 159 . 1 1 40 40 THR CB C 13 67.3 0.2 . 1 . . . . . . . . 5888 1 160 . 1 1 40 40 THR N N 15 123.3 0.2 . 1 . . . . . . . . 5888 1 161 . 1 1 41 41 TRP H H 1 9.74 0.02 . 1 . . . . . . . . 5888 1 162 . 1 1 41 41 TRP CA C 13 54.2 0.2 . 1 . . . . . . . . 5888 1 163 . 1 1 41 41 TRP CB C 13 28.6 0.2 . 1 . . . . . . . . 5888 1 164 . 1 1 41 41 TRP N N 15 128.4 0.2 . 1 . . . . . . . . 5888 1 165 . 1 1 42 42 GLU H H 1 8.87 0.02 . 1 . . . . . . . . 5888 1 166 . 1 1 42 42 GLU CA C 13 54.9 0.2 . 1 . . . . . . . . 5888 1 167 . 1 1 42 42 GLU CB C 13 26.6 0.2 . 1 . . . . . . . . 5888 1 168 . 1 1 42 42 GLU N N 15 128.3 0.2 . 1 . . . . . . . . 5888 1 169 . 1 1 43 43 GLY H H 1 9.52 0.02 . 1 . . . . . . . . 5888 1 170 . 1 1 43 43 GLY CA C 13 43.7 0.2 . 1 . . . . . . . . 5888 1 171 . 1 1 43 43 GLY N N 15 104.3 0.2 . 1 . . . . . . . . 5888 1 172 . 1 1 44 44 GLN H H 1 7.87 0.02 . 1 . . . . . . . . 5888 1 173 . 1 1 44 44 GLN CA C 13 52.2 0.2 . 1 . . . . . . . . 5888 1 174 . 1 1 44 44 GLN CB C 13 28.1 0.2 . 1 . . . . . . . . 5888 1 175 . 1 1 44 44 GLN N N 15 121.2 0.2 . 1 . . . . . . . . 5888 1 176 . 1 1 45 45 GLN H H 1 8.69 0.02 . 1 . . . . . . . . 5888 1 177 . 1 1 45 45 GLN HE21 H 1 7.54 0.02 . 2 . . . . . . . . 5888 1 178 . 1 1 45 45 GLN HE22 H 1 6.82 0.02 . 2 . . . . . . . . 5888 1 179 . 1 1 45 45 GLN CA C 13 53.2 0.2 . 1 . . . . . . . . 5888 1 180 . 1 1 45 45 GLN CB C 13 29.3 0.2 . 1 . . . . . . . . 5888 1 181 . 1 1 45 45 GLN N N 15 124.7 0.2 . 1 . . . . . . . . 5888 1 182 . 1 1 45 45 GLN NE2 N 15 109.9 0.2 . 1 . . . . . . . . 5888 1 183 . 1 1 46 46 PHE H H 1 9.79 0.02 . 1 . . . . . . . . 5888 1 184 . 1 1 46 46 PHE CA C 13 55.2 0.2 . 1 . . . . . . . . 5888 1 185 . 1 1 46 46 PHE CB C 13 39.4 0.2 . 1 . . . . . . . . 5888 1 186 . 1 1 46 46 PHE N N 15 123.6 0.2 . 1 . . . . . . . . 5888 1 187 . 1 1 47 47 GLN H H 1 8.87 0.02 . 1 . . . . . . . . 5888 1 188 . 1 1 47 47 GLN CA C 13 53.1 0.2 . 1 . . . . . . . . 5888 1 189 . 1 1 47 47 GLN CB C 13 27.8 0.2 . 1 . . . . . . . . 5888 1 190 . 1 1 47 47 GLN N N 15 122.4 0.2 . 1 . . . . . . . . 5888 1 191 . 1 1 48 48 GLY H H 1 8.75 0.02 . 1 . . . . . . . . 5888 1 192 . 1 1 48 48 GLY CA C 13 42.1 0.2 . 1 . . . . . . . . 5888 1 193 . 1 1 48 48 GLY N N 15 115.0 0.2 . 1 . . . . . . . . 5888 1 194 . 1 1 49 49 LYS H H 1 7.42 0.02 . 1 . . . . . . . . 5888 1 195 . 1 1 49 49 LYS CA C 13 58.6 0.2 . 1 . . . . . . . . 5888 1 196 . 1 1 49 49 LYS CB C 13 30.7 0.2 . 1 . . . . . . . . 5888 1 197 . 1 1 49 49 LYS N N 15 120.0 0.2 . 1 . . . . . . . . 5888 1 198 . 1 1 50 50 ALA H H 1 8.56 0.02 . 1 . . . . . . . . 5888 1 199 . 1 1 50 50 ALA CA C 13 53.3 0.2 . 1 . . . . . . . . 5888 1 200 . 1 1 50 50 ALA CB C 13 15.2 0.2 . 1 . . . . . . . . 5888 1 201 . 1 1 50 50 ALA N N 15 119.1 0.2 . 1 . . . . . . . . 5888 1 202 . 1 1 51 51 ALA H H 1 8.35 0.02 . 1 . . . . . . . . 5888 1 203 . 1 1 51 51 ALA CA C 13 52.3 0.2 . 1 . . . . . . . . 5888 1 204 . 1 1 51 51 ALA CB C 13 16.6 0.2 . 1 . . . . . . . . 5888 1 205 . 1 1 51 51 ALA N N 15 120.8 0.2 . 1 . . . . . . . . 5888 1 206 . 1 1 52 52 ILE H H 1 8.09 0.02 . 1 . . . . . . . . 5888 1 207 . 1 1 52 52 ILE CA C 13 63.8 0.2 . 1 . . . . . . . . 5888 1 208 . 1 1 52 52 ILE CB C 13 36.0 0.2 . 1 . . . . . . . . 5888 1 209 . 1 1 52 52 ILE N N 15 120.1 0.2 . 1 . . . . . . . . 5888 1 210 . 1 1 53 53 VAL H H 1 8.58 0.02 . 1 . . . . . . . . 5888 1 211 . 1 1 53 53 VAL CA C 13 64.5 0.2 . 1 . . . . . . . . 5888 1 212 . 1 1 53 53 VAL CB C 13 29.0 0.2 . 1 . . . . . . . . 5888 1 213 . 1 1 53 53 VAL N N 15 118.1 0.2 . 1 . . . . . . . . 5888 1 214 . 1 1 54 54 GLU H H 1 7.97 0.02 . 1 . . . . . . . . 5888 1 215 . 1 1 54 54 GLU CA C 13 57.1 0.2 . 1 . . . . . . . . 5888 1 216 . 1 1 54 54 GLU CB C 13 27.0 0.2 . 1 . . . . . . . . 5888 1 217 . 1 1 54 54 GLU N N 15 121.6 0.2 . 1 . . . . . . . . 5888 1 218 . 1 1 55 55 LYS H H 1 7.53 0.02 . 1 . . . . . . . . 5888 1 219 . 1 1 55 55 LYS CA C 13 55.1 0.2 . 1 . . . . . . . . 5888 1 220 . 1 1 55 55 LYS CB C 13 27.6 0.2 . 1 . . . . . . . . 5888 1 221 . 1 1 55 55 LYS N N 15 120.3 0.2 . 1 . . . . . . . . 5888 1 222 . 1 1 56 56 LEU H H 1 8.27 0.02 . 1 . . . . . . . . 5888 1 223 . 1 1 56 56 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 5888 1 224 . 1 1 56 56 LEU CB C 13 38.9 0.2 . 1 . . . . . . . . 5888 1 225 . 1 1 56 56 LEU N N 15 117.0 0.2 . 1 . . . . . . . . 5888 1 226 . 1 1 57 57 SER H H 1 8.35 0.02 . 1 . . . . . . . . 5888 1 227 . 1 1 57 57 SER CA C 13 59.2 0.2 . 1 . . . . . . . . 5888 1 228 . 1 1 57 57 SER CB C 13 60.6 0.2 . 1 . . . . . . . . 5888 1 229 . 1 1 57 57 SER N N 15 113.1 0.2 . 1 . . . . . . . . 5888 1 230 . 1 1 58 58 SER H H 1 7.45 0.02 . 1 . . . . . . . . 5888 1 231 . 1 1 58 58 SER CA C 13 56.2 0.2 . 1 . . . . . . . . 5888 1 232 . 1 1 58 58 SER CB C 13 61.8 0.2 . 1 . . . . . . . . 5888 1 233 . 1 1 58 58 SER N N 15 114.1 0.2 . 1 . . . . . . . . 5888 1 234 . 1 1 59 59 LEU H H 1 6.77 0.02 . 1 . . . . . . . . 5888 1 235 . 1 1 59 59 LEU CA C 13 50.8 0.2 . 1 . . . . . . . . 5888 1 236 . 1 1 59 59 LEU CB C 13 38.8 0.2 . 1 . . . . . . . . 5888 1 237 . 1 1 59 59 LEU N N 15 123.6 0.2 . 1 . . . . . . . . 5888 1 238 . 1 1 60 60 PRO CA C 13 61.5 0.2 . 1 . . . . . . . . 5888 1 239 . 1 1 60 60 PRO CB C 13 27.7 0.2 . 1 . . . . . . . . 5888 1 240 . 1 1 61 61 PHE H H 1 6.84 0.02 . 1 . . . . . . . . 5888 1 241 . 1 1 61 61 PHE CA C 13 52.2 0.2 . 1 . . . . . . . . 5888 1 242 . 1 1 61 61 PHE CB C 13 38.1 0.2 . 1 . . . . . . . . 5888 1 243 . 1 1 61 61 PHE N N 15 117.5 0.2 . 1 . . . . . . . . 5888 1 244 . 1 1 62 62 GLN H H 1 10.56 0.02 . 1 . . . . . . . . 5888 1 245 . 1 1 62 62 GLN CA C 13 55.1 0.2 . 1 . . . . . . . . 5888 1 246 . 1 1 62 62 GLN CB C 13 27.5 0.2 . 1 . . . . . . . . 5888 1 247 . 1 1 62 62 GLN N N 15 123.8 0.2 . 1 . . . . . . . . 5888 1 248 . 1 1 63 63 LYS H H 1 9.35 0.02 . 1 . . . . . . . . 5888 1 249 . 1 1 63 63 LYS CA C 13 52.6 0.2 . 1 . . . . . . . . 5888 1 250 . 1 1 63 63 LYS CB C 13 32.8 0.2 . 1 . . . . . . . . 5888 1 251 . 1 1 63 63 LYS N N 15 122.8 0.2 . 1 . . . . . . . . 5888 1 252 . 1 1 64 64 ILE H H 1 8.98 0.02 . 1 . . . . . . . . 5888 1 253 . 1 1 64 64 ILE CA C 13 56.9 0.2 . 1 . . . . . . . . 5888 1 254 . 1 1 64 64 ILE CB C 13 38.9 0.2 . 1 . . . . . . . . 5888 1 255 . 1 1 64 64 ILE N N 15 122.5 0.2 . 1 . . . . . . . . 5888 1 256 . 1 1 65 65 GLN H H 1 7.92 0.02 . 1 . . . . . . . . 5888 1 257 . 1 1 65 65 GLN CA C 13 51.6 0.2 . 1 . . . . . . . . 5888 1 258 . 1 1 65 65 GLN CB C 13 30.5 0.2 . 1 . . . . . . . . 5888 1 259 . 1 1 65 65 GLN N N 15 122.3 0.2 . 1 . . . . . . . . 5888 1 260 . 1 1 66 66 HIS H H 1 9.89 0.02 . 1 . . . . . . . . 5888 1 261 . 1 1 66 66 HIS CA C 13 54.3 0.2 . 1 . . . . . . . . 5888 1 262 . 1 1 66 66 HIS CB C 13 28.9 0.2 . 1 . . . . . . . . 5888 1 263 . 1 1 66 66 HIS N N 15 124.1 0.2 . 1 . . . . . . . . 5888 1 264 . 1 1 67 67 SER H H 1 9.34 0.02 . 1 . . . . . . . . 5888 1 265 . 1 1 67 67 SER CA C 13 54.7 0.2 . 1 . . . . . . . . 5888 1 266 . 1 1 67 67 SER CB C 13 62.2 0.2 . 1 . . . . . . . . 5888 1 267 . 1 1 67 67 SER N N 15 117.4 0.2 . 1 . . . . . . . . 5888 1 268 . 1 1 68 68 ILE H H 1 9.04 0.02 . 1 . . . . . . . . 5888 1 269 . 1 1 68 68 ILE CA C 13 59.0 0.2 . 1 . . . . . . . . 5888 1 270 . 1 1 68 68 ILE CB C 13 35.1 0.2 . 1 . . . . . . . . 5888 1 271 . 1 1 68 68 ILE N N 15 126.4 0.2 . 1 . . . . . . . . 5888 1 272 . 1 1 69 69 THR H H 1 9.18 0.02 . 1 . . . . . . . . 5888 1 273 . 1 1 69 69 THR CA C 13 61.7 0.2 . 1 . . . . . . . . 5888 1 274 . 1 1 69 69 THR CB C 13 66.2 0.2 . 1 . . . . . . . . 5888 1 275 . 1 1 69 69 THR N N 15 124.8 0.2 . 1 . . . . . . . . 5888 1 276 . 1 1 70 70 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 5888 1 277 . 1 1 70 70 ALA CA C 13 49.5 0.2 . 1 . . . . . . . . 5888 1 278 . 1 1 70 70 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 5888 1 279 . 1 1 70 70 ALA N N 15 122.6 0.2 . 1 . . . . . . . . 5888 1 280 . 1 1 71 71 GLN H H 1 8.32 0.02 . 1 . . . . . . . . 5888 1 281 . 1 1 71 71 GLN HE21 H 1 8.86 0.02 . 2 . . . . . . . . 5888 1 282 . 1 1 71 71 GLN CA C 13 54.1 0.2 . 1 . . . . . . . . 5888 1 283 . 1 1 71 71 GLN CB C 13 30.6 0.2 . 1 . . . . . . . . 5888 1 284 . 1 1 71 71 GLN N N 15 113.9 0.2 . 1 . . . . . . . . 5888 1 285 . 1 1 71 71 GLN NE2 N 15 113.8 0.2 . 1 . . . . . . . . 5888 1 286 . 1 1 72 72 ASP H H 1 8.55 0.02 . 1 . . . . . . . . 5888 1 287 . 1 1 72 72 ASP CA C 13 50.8 0.2 . 1 . . . . . . . . 5888 1 288 . 1 1 72 72 ASP CB C 13 44.6 0.2 . 1 . . . . . . . . 5888 1 289 . 1 1 72 72 ASP N N 15 120.9 0.2 . 1 . . . . . . . . 5888 1 290 . 1 1 73 73 HIS H H 1 8.36 0.02 . 1 . . . . . . . . 5888 1 291 . 1 1 73 73 HIS CA C 13 52.5 0.2 . 1 . . . . . . . . 5888 1 292 . 1 1 73 73 HIS CB C 13 33.1 0.2 . 1 . . . . . . . . 5888 1 293 . 1 1 73 73 HIS N N 15 117.2 0.2 . 1 . . . . . . . . 5888 1 294 . 1 1 74 74 GLN H H 1 9.59 0.02 . 1 . . . . . . . . 5888 1 295 . 1 1 74 74 GLN N N 15 122.5 0.2 . 1 . . . . . . . . 5888 1 296 . 1 1 75 75 PRO CA C 13 59.4 0.2 . 1 . . . . . . . . 5888 1 297 . 1 1 75 75 PRO CB C 13 29.9 0.2 . 1 . . . . . . . . 5888 1 298 . 1 1 76 76 THR H H 1 8.43 0.02 . 1 . . . . . . . . 5888 1 299 . 1 1 76 76 THR N N 15 111.8 0.2 . 1 . . . . . . . . 5888 1 300 . 1 1 77 77 PRO CA C 13 62.5 0.2 . 1 . . . . . . . . 5888 1 301 . 1 1 77 77 PRO CB C 13 29.9 0.2 . 1 . . . . . . . . 5888 1 302 . 1 1 78 78 ASP H H 1 7.50 0.02 . 1 . . . . . . . . 5888 1 303 . 1 1 78 78 ASP CA C 13 51.2 0.2 . 1 . . . . . . . . 5888 1 304 . 1 1 78 78 ASP CB C 13 38.2 0.2 . 1 . . . . . . . . 5888 1 305 . 1 1 78 78 ASP N N 15 113.3 0.2 . 1 . . . . . . . . 5888 1 306 . 1 1 79 79 SER H H 1 8.16 0.02 . 1 . . . . . . . . 5888 1 307 . 1 1 79 79 SER CA C 13 58.4 0.2 . 1 . . . . . . . . 5888 1 308 . 1 1 79 79 SER N N 15 108.8 0.2 . 1 . . . . . . . . 5888 1 309 . 1 1 80 80 CYS H H 1 7.41 0.02 . 1 . . . . . . . . 5888 1 310 . 1 1 80 80 CYS CA C 13 56.0 0.2 . 1 . . . . . . . . 5888 1 311 . 1 1 80 80 CYS CB C 13 27.2 0.2 . 1 . . . . . . . . 5888 1 312 . 1 1 80 80 CYS N N 15 115.0 0.2 . 1 . . . . . . . . 5888 1 313 . 1 1 81 81 ILE H H 1 8.82 0.02 . 1 . . . . . . . . 5888 1 314 . 1 1 81 81 ILE CA C 13 58.1 0.2 . 1 . . . . . . . . 5888 1 315 . 1 1 81 81 ILE CB C 13 39.3 0.2 . 1 . . . . . . . . 5888 1 316 . 1 1 81 81 ILE N N 15 122.6 0.2 . 1 . . . . . . . . 5888 1 317 . 1 1 82 82 ILE H H 1 9.38 0.02 . 1 . . . . . . . . 5888 1 318 . 1 1 82 82 ILE CA C 13 56.7 0.2 . 1 . . . . . . . . 5888 1 319 . 1 1 82 82 ILE CB C 13 39.6 0.2 . 1 . . . . . . . . 5888 1 320 . 1 1 82 82 ILE N N 15 126.3 0.2 . 1 . . . . . . . . 5888 1 321 . 1 1 83 83 SER H H 1 9.10 0.02 . 1 . . . . . . . . 5888 1 322 . 1 1 83 83 SER CA C 13 56.1 0.2 . 1 . . . . . . . . 5888 1 323 . 1 1 83 83 SER CB C 13 64.7 0.2 . 1 . . . . . . . . 5888 1 324 . 1 1 83 83 SER N N 15 122.6 0.2 . 1 . . . . . . . . 5888 1 325 . 1 1 84 84 MET H H 1 9.02 0.02 . 1 . . . . . . . . 5888 1 326 . 1 1 84 84 MET CA C 13 52.6 0.2 . 1 . . . . . . . . 5888 1 327 . 1 1 84 84 MET CB C 13 35.5 0.2 . 1 . . . . . . . . 5888 1 328 . 1 1 84 84 MET N N 15 122.9 0.2 . 1 . . . . . . . . 5888 1 329 . 1 1 85 85 VAL H H 1 9.68 0.02 . 1 . . . . . . . . 5888 1 330 . 1 1 85 85 VAL CA C 13 58.3 0.2 . 1 . . . . . . . . 5888 1 331 . 1 1 85 85 VAL CB C 13 33.6 0.2 . 1 . . . . . . . . 5888 1 332 . 1 1 85 85 VAL N N 15 125.9 0.2 . 1 . . . . . . . . 5888 1 333 . 1 1 86 86 VAL H H 1 8.28 0.02 . 1 . . . . . . . . 5888 1 334 . 1 1 86 86 VAL CA C 13 57.0 0.2 . 1 . . . . . . . . 5888 1 335 . 1 1 86 86 VAL CB C 13 31.9 0.2 . 1 . . . . . . . . 5888 1 336 . 1 1 86 86 VAL N N 15 121.9 0.2 . 1 . . . . . . . . 5888 1 337 . 1 1 87 87 GLY H H 1 7.20 0.02 . 1 . . . . . . . . 5888 1 338 . 1 1 87 87 GLY CA C 13 44.0 0.2 . 1 . . . . . . . . 5888 1 339 . 1 1 87 87 GLY N N 15 111.3 0.2 . 1 . . . . . . . . 5888 1 340 . 1 1 88 88 GLN H H 1 9.01 0.02 . 1 . . . . . . . . 5888 1 341 . 1 1 88 88 GLN CA C 13 51.6 0.2 . 1 . . . . . . . . 5888 1 342 . 1 1 88 88 GLN N N 15 118.3 0.2 . 1 . . . . . . . . 5888 1 343 . 1 1 89 89 LEU H H 1 9.79 0.02 . 1 . . . . . . . . 5888 1 344 . 1 1 89 89 LEU CA C 13 51.0 0.2 . 1 . . . . . . . . 5888 1 345 . 1 1 89 89 LEU CB C 13 43.1 0.2 . 1 . . . . . . . . 5888 1 346 . 1 1 89 89 LEU N N 15 121.8 0.2 . 1 . . . . . . . . 5888 1 347 . 1 1 90 90 LYS H H 1 8.23 0.02 . 1 . . . . . . . . 5888 1 348 . 1 1 90 90 LYS CA C 13 52.2 0.2 . 1 . . . . . . . . 5888 1 349 . 1 1 90 90 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 5888 1 350 . 1 1 90 90 LYS N N 15 124.3 0.2 . 1 . . . . . . . . 5888 1 351 . 1 1 91 91 ALA H H 1 9.08 0.02 . 1 . . . . . . . . 5888 1 352 . 1 1 91 91 ALA CA C 13 47.3 0.2 . 1 . . . . . . . . 5888 1 353 . 1 1 91 91 ALA CB C 13 17.8 0.2 . 1 . . . . . . . . 5888 1 354 . 1 1 91 91 ALA N N 15 134.4 0.2 . 1 . . . . . . . . 5888 1 355 . 1 1 92 92 ASP H H 1 9.02 0.02 . 1 . . . . . . . . 5888 1 356 . 1 1 92 92 ASP CA C 13 54.4 0.2 . 1 . . . . . . . . 5888 1 357 . 1 1 92 92 ASP CB C 13 37.6 0.2 . 1 . . . . . . . . 5888 1 358 . 1 1 92 92 ASP N N 15 120.1 0.2 . 1 . . . . . . . . 5888 1 359 . 1 1 93 93 GLU H H 1 8.28 0.02 . 1 . . . . . . . . 5888 1 360 . 1 1 93 93 GLU CA C 13 52.5 0.2 . 1 . . . . . . . . 5888 1 361 . 1 1 93 93 GLU CB C 13 26.6 0.2 . 1 . . . . . . . . 5888 1 362 . 1 1 93 93 GLU N N 15 121.9 0.2 . 1 . . . . . . . . 5888 1 363 . 1 1 94 94 ASP H H 1 8.54 0.02 . 1 . . . . . . . . 5888 1 364 . 1 1 94 94 ASP CB C 13 37.0 0.2 . 1 . . . . . . . . 5888 1 365 . 1 1 94 94 ASP N N 15 123.8 0.2 . 1 . . . . . . . . 5888 1 366 . 1 1 95 95 PRO CA C 13 60.3 0.2 . 1 . . . . . . . . 5888 1 367 . 1 1 95 95 PRO CB C 13 29.7 0.2 . 1 . . . . . . . . 5888 1 368 . 1 1 96 96 ILE H H 1 8.28 0.02 . 1 . . . . . . . . 5888 1 369 . 1 1 96 96 ILE CA C 13 60.5 0.2 . 1 . . . . . . . . 5888 1 370 . 1 1 96 96 ILE CB C 13 36.3 0.2 . 1 . . . . . . . . 5888 1 371 . 1 1 96 96 ILE N N 15 121.9 0.2 . 1 . . . . . . . . 5888 1 372 . 1 1 97 97 MET H H 1 8.51 0.02 . 1 . . . . . . . . 5888 1 373 . 1 1 97 97 MET CA C 13 51.2 0.2 . 1 . . . . . . . . 5888 1 374 . 1 1 97 97 MET CB C 13 34.2 0.2 . 1 . . . . . . . . 5888 1 375 . 1 1 97 97 MET N N 15 123.8 0.2 . 1 . . . . . . . . 5888 1 376 . 1 1 98 98 GLY H H 1 8.61 0.02 . 1 . . . . . . . . 5888 1 377 . 1 1 98 98 GLY CA C 13 42.6 0.2 . 1 . . . . . . . . 5888 1 378 . 1 1 98 98 GLY N N 15 109.4 0.2 . 1 . . . . . . . . 5888 1 379 . 1 1 99 99 PHE H H 1 8.27 0.02 . 1 . . . . . . . . 5888 1 380 . 1 1 99 99 PHE CA C 13 54.0 0.2 . 1 . . . . . . . . 5888 1 381 . 1 1 99 99 PHE CB C 13 41.1 0.2 . 1 . . . . . . . . 5888 1 382 . 1 1 99 99 PHE N N 15 117.0 0.2 . 1 . . . . . . . . 5888 1 383 . 1 1 100 100 HIS H H 1 8.56 0.02 . 1 . . . . . . . . 5888 1 384 . 1 1 100 100 HIS CA C 13 51.0 0.2 . 1 . . . . . . . . 5888 1 385 . 1 1 100 100 HIS CB C 13 31.1 0.2 . 1 . . . . . . . . 5888 1 386 . 1 1 100 100 HIS N N 15 119.1 0.2 . 1 . . . . . . . . 5888 1 387 . 1 1 101 101 GLN H H 1 9.18 0.02 . 1 . . . . . . . . 5888 1 388 . 1 1 101 101 GLN HE21 H 1 11.11 0.02 . 2 . . . . . . . . 5888 1 389 . 1 1 101 101 GLN HE22 H 1 6.91 0.02 . 2 . . . . . . . . 5888 1 390 . 1 1 101 101 GLN CA C 13 51.0 0.2 . 1 . . . . . . . . 5888 1 391 . 1 1 101 101 GLN CB C 13 36.6 0.2 . 1 . . . . . . . . 5888 1 392 . 1 1 101 101 GLN N N 15 124.9 0.2 . 1 . . . . . . . . 5888 1 393 . 1 1 101 101 GLN NE2 N 15 122.9 0.2 . 1 . . . . . . . . 5888 1 394 . 1 1 102 102 MET H H 1 8.23 0.02 . 1 . . . . . . . . 5888 1 395 . 1 1 102 102 MET CA C 13 50.8 0.2 . 1 . . . . . . . . 5888 1 396 . 1 1 102 102 MET CB C 13 32.7 0.2 . 1 . . . . . . . . 5888 1 397 . 1 1 102 102 MET N N 15 124.3 0.2 . 1 . . . . . . . . 5888 1 398 . 1 1 103 103 PHE H H 1 8.80 0.02 . 1 . . . . . . . . 5888 1 399 . 1 1 103 103 PHE CA C 13 53.7 0.2 . 1 . . . . . . . . 5888 1 400 . 1 1 103 103 PHE CB C 13 41.5 0.2 . 1 . . . . . . . . 5888 1 401 . 1 1 103 103 PHE N N 15 117.3 0.2 . 1 . . . . . . . . 5888 1 402 . 1 1 104 104 LEU H H 1 8.87 0.02 . 1 . . . . . . . . 5888 1 403 . 1 1 104 104 LEU CA C 13 51.7 0.2 . 1 . . . . . . . . 5888 1 404 . 1 1 104 104 LEU CB C 13 43.9 0.2 . 1 . . . . . . . . 5888 1 405 . 1 1 104 104 LEU N N 15 122.4 0.2 . 1 . . . . . . . . 5888 1 406 . 1 1 105 105 LEU H H 1 9.79 0.02 . 1 . . . . . . . . 5888 1 407 . 1 1 105 105 LEU CA C 13 50.4 0.2 . 1 . . . . . . . . 5888 1 408 . 1 1 105 105 LEU CB C 13 43.0 0.2 . 1 . . . . . . . . 5888 1 409 . 1 1 105 105 LEU N N 15 125.7 0.2 . 1 . . . . . . . . 5888 1 410 . 1 1 106 106 LYS H H 1 9.40 0.02 . 1 . . . . . . . . 5888 1 411 . 1 1 106 106 LYS CA C 13 52.6 0.2 . 1 . . . . . . . . 5888 1 412 . 1 1 106 106 LYS CB C 13 36.2 0.2 . 1 . . . . . . . . 5888 1 413 . 1 1 106 106 LYS N N 15 122.4 0.2 . 1 . . . . . . . . 5888 1 414 . 1 1 107 107 ASN H H 1 8.38 0.02 . 1 . . . . . . . . 5888 1 415 . 1 1 107 107 ASN HD21 H 1 8.51 0.02 . 2 . . . . . . . . 5888 1 416 . 1 1 107 107 ASN HD22 H 1 6.29 0.02 . 2 . . . . . . . . 5888 1 417 . 1 1 107 107 ASN CA C 13 49.6 0.2 . 1 . . . . . . . . 5888 1 418 . 1 1 107 107 ASN CB C 13 35.5 0.2 . 1 . . . . . . . . 5888 1 419 . 1 1 107 107 ASN N N 15 126.4 0.2 . 1 . . . . . . . . 5888 1 420 . 1 1 107 107 ASN ND2 N 15 106.5 0.2 . 1 . . . . . . . . 5888 1 421 . 1 1 108 108 ILE H H 1 8.66 0.02 . 1 . . . . . . . . 5888 1 422 . 1 1 108 108 ILE CA C 13 57.8 0.2 . 1 . . . . . . . . 5888 1 423 . 1 1 108 108 ILE CB C 13 37.6 0.2 . 1 . . . . . . . . 5888 1 424 . 1 1 108 108 ILE N N 15 127.5 0.2 . 1 . . . . . . . . 5888 1 425 . 1 1 109 109 ASN H H 1 9.23 0.02 . 1 . . . . . . . . 5888 1 426 . 1 1 109 109 ASN CA C 13 52.1 0.2 . 1 . . . . . . . . 5888 1 427 . 1 1 109 109 ASN CB C 13 34.5 0.2 . 1 . . . . . . . . 5888 1 428 . 1 1 109 109 ASN N N 15 125.5 0.2 . 1 . . . . . . . . 5888 1 429 . 1 1 110 110 ASP H H 1 8.15 0.02 . 1 . . . . . . . . 5888 1 430 . 1 1 110 110 ASP CA C 13 53.4 0.2 . 1 . . . . . . . . 5888 1 431 . 1 1 110 110 ASP CB C 13 37.1 0.2 . 1 . . . . . . . . 5888 1 432 . 1 1 110 110 ASP N N 15 111.0 0.2 . 1 . . . . . . . . 5888 1 433 . 1 1 111 111 ALA H H 1 7.40 0.02 . 1 . . . . . . . . 5888 1 434 . 1 1 111 111 ALA CA C 13 48.5 0.2 . 1 . . . . . . . . 5888 1 435 . 1 1 111 111 ALA CB C 13 19.3 0.2 . 1 . . . . . . . . 5888 1 436 . 1 1 111 111 ALA N N 15 121.4 0.2 . 1 . . . . . . . . 5888 1 437 . 1 1 112 112 TRP H H 1 8.49 0.02 . 1 . . . . . . . . 5888 1 438 . 1 1 112 112 TRP CA C 13 55.1 0.2 . 1 . . . . . . . . 5888 1 439 . 1 1 112 112 TRP CB C 13 26.3 0.2 . 1 . . . . . . . . 5888 1 440 . 1 1 112 112 TRP N N 15 121.2 0.2 . 1 . . . . . . . . 5888 1 441 . 1 1 113 113 VAL H H 1 9.07 0.02 . 1 . . . . . . . . 5888 1 442 . 1 1 113 113 VAL CA C 13 56.6 0.2 . 1 . . . . . . . . 5888 1 443 . 1 1 113 113 VAL CB C 13 32.6 0.2 . 1 . . . . . . . . 5888 1 444 . 1 1 113 113 VAL N N 15 118.3 0.2 . 1 . . . . . . . . 5888 1 445 . 1 1 114 114 CYS H H 1 9.16 0.02 . 1 . . . . . . . . 5888 1 446 . 1 1 114 114 CYS CA C 13 55.4 0.2 . 1 . . . . . . . . 5888 1 447 . 1 1 114 114 CYS CB C 13 25.8 0.2 . 1 . . . . . . . . 5888 1 448 . 1 1 114 114 CYS N N 15 120.2 0.2 . 1 . . . . . . . . 5888 1 449 . 1 1 115 115 THR H H 1 9.31 0.02 . 1 . . . . . . . . 5888 1 450 . 1 1 115 115 THR CA C 13 61.4 0.2 . 1 . . . . . . . . 5888 1 451 . 1 1 115 115 THR CB C 13 66.2 0.2 . 1 . . . . . . . . 5888 1 452 . 1 1 115 115 THR N N 15 118.4 0.2 . 1 . . . . . . . . 5888 1 453 . 1 1 116 116 ASN H H 1 7.92 0.02 . 1 . . . . . . . . 5888 1 454 . 1 1 116 116 ASN HD21 H 1 8.60 0.02 . 2 . . . . . . . . 5888 1 455 . 1 1 116 116 ASN HD22 H 1 6.14 0.02 . 2 . . . . . . . . 5888 1 456 . 1 1 116 116 ASN CA C 13 52.4 0.2 . 1 . . . . . . . . 5888 1 457 . 1 1 116 116 ASN CB C 13 39.1 0.2 . 1 . . . . . . . . 5888 1 458 . 1 1 116 116 ASN N N 15 123.8 0.2 . 1 . . . . . . . . 5888 1 459 . 1 1 116 116 ASN ND2 N 15 110.7 0.2 . 1 . . . . . . . . 5888 1 460 . 1 1 117 117 ASP H H 1 8.71 0.02 . 1 . . . . . . . . 5888 1 461 . 1 1 117 117 ASP CA C 13 50.6 0.2 . 1 . . . . . . . . 5888 1 462 . 1 1 117 117 ASP CB C 13 43.4 0.2 . 1 . . . . . . . . 5888 1 463 . 1 1 117 117 ASP N N 15 125.8 0.2 . 1 . . . . . . . . 5888 1 464 . 1 1 118 118 MET H H 1 8.95 0.02 . 1 . . . . . . . . 5888 1 465 . 1 1 118 118 MET CA C 13 53.0 0.2 . 1 . . . . . . . . 5888 1 466 . 1 1 118 118 MET CB C 13 35.6 0.2 . 1 . . . . . . . . 5888 1 467 . 1 1 118 118 MET N N 15 126.1 0.2 . 1 . . . . . . . . 5888 1 468 . 1 1 119 119 PHE H H 1 8.95 0.02 . 1 . . . . . . . . 5888 1 469 . 1 1 119 119 PHE CA C 13 54.8 0.2 . 1 . . . . . . . . 5888 1 470 . 1 1 119 119 PHE CB C 13 42.1 0.2 . 1 . . . . . . . . 5888 1 471 . 1 1 119 119 PHE N N 15 121.2 0.2 . 1 . . . . . . . . 5888 1 472 . 1 1 120 120 ARG H H 1 8.17 0.02 . 1 . . . . . . . . 5888 1 473 . 1 1 120 120 ARG CA C 13 52.2 0.2 . 1 . . . . . . . . 5888 1 474 . 1 1 120 120 ARG CB C 13 32.6 0.2 . 1 . . . . . . . . 5888 1 475 . 1 1 120 120 ARG N N 15 130.0 0.2 . 1 . . . . . . . . 5888 1 476 . 1 1 121 121 LEU H H 1 8.95 0.02 . 1 . . . . . . . . 5888 1 477 . 1 1 121 121 LEU CA C 13 52.0 0.2 . 1 . . . . . . . . 5888 1 478 . 1 1 121 121 LEU CB C 13 40.8 0.2 . 1 . . . . . . . . 5888 1 479 . 1 1 121 121 LEU N N 15 124.1 0.2 . 1 . . . . . . . . 5888 1 480 . 1 1 122 122 ALA H H 1 8.16 0.02 . 1 . . . . . . . . 5888 1 481 . 1 1 122 122 ALA CA C 13 48.8 0.2 . 1 . . . . . . . . 5888 1 482 . 1 1 122 122 ALA CB C 13 16.9 0.2 . 1 . . . . . . . . 5888 1 483 . 1 1 122 122 ALA N N 15 124.3 0.2 . 1 . . . . . . . . 5888 1 484 . 1 1 123 123 LEU H H 1 8.11 0.02 . 1 . . . . . . . . 5888 1 485 . 1 1 123 123 LEU CA C 13 52.6 0.2 . 1 . . . . . . . . 5888 1 486 . 1 1 123 123 LEU CB C 13 40.0 0.2 . 1 . . . . . . . . 5888 1 487 . 1 1 123 123 LEU N N 15 121.6 0.2 . 1 . . . . . . . . 5888 1 488 . 1 1 124 124 HIS H H 1 8.35 0.02 . 1 . . . . . . . . 5888 1 489 . 1 1 124 124 HIS CA C 13 52.8 0.2 . 1 . . . . . . . . 5888 1 490 . 1 1 124 124 HIS CB C 13 27.8 0.2 . 1 . . . . . . . . 5888 1 491 . 1 1 124 124 HIS N N 15 118.6 0.2 . 1 . . . . . . . . 5888 1 492 . 1 1 125 125 ASN H H 1 8.25 0.02 . 1 . . . . . . . . 5888 1 493 . 1 1 125 125 ASN CA C 13 50.6 0.2 . 1 . . . . . . . . 5888 1 494 . 1 1 125 125 ASN CB C 13 36.6 0.2 . 1 . . . . . . . . 5888 1 495 . 1 1 125 125 ASN N N 15 119.4 0.2 . 1 . . . . . . . . 5888 1 496 . 1 1 126 126 PHE H H 1 8.28 0.02 . 1 . . . . . . . . 5888 1 497 . 1 1 126 126 PHE CA C 13 55.1 0.2 . 1 . . . . . . . . 5888 1 498 . 1 1 126 126 PHE CB C 13 37.2 0.2 . 1 . . . . . . . . 5888 1 499 . 1 1 126 126 PHE N N 15 120.4 0.2 . 1 . . . . . . . . 5888 1 500 . 1 1 127 127 GLY H H 1 8.02 0.02 . 1 . . . . . . . . 5888 1 501 . 1 1 127 127 GLY CA C 13 43.9 0.2 . 1 . . . . . . . . 5888 1 502 . 1 1 127 127 GLY N N 15 115.6 0.2 . 1 . . . . . . . . 5888 1 stop_ save_