data_5887 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5887 _Entry.Title ; 1H, 15N and 13C assignments for nuclear transport factor 2 (NTF2) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-29 _Entry.Accession_date 2003-07-29 _Entry.Last_release_date 2005-09-16 _Entry.Original_release_date 2005-09-16 _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 . . . 5887 2 Ji-Chun Yang . . . 5887 3 Murray Stewart . . . 5887 4 David Neuhaus . . . 5887 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5887 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 710 5887 '13C chemical shifts' 379 5887 '15N chemical shifts' 138 5887 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 . . 2005-09-16 2003-07-29 original author . 5887 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5887 _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 . . . 5887 1 2 Ji-Chun Yang . . . 5887 1 3 Murray Stewart . . . 5887 1 4 David Neuhaus . . . 5887 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NTF2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NTF2 _Assembly.Entry_ID 5887 _Assembly.ID 1 _Assembly.Name 'nuclear transport factor 2' _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 5887 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 subunit 1' 1 $NTF2 . . . native . . 1 . . 5887 1 2 'NTF2 subunit 2' 1 $NTF2 . . . native . . 1 . . 5887 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 . PDB 1OUN . . . . . . 5887 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' system 5887 1 NTF2 abbreviation 5887 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NTF2 _Entity.Sf_category entity _Entity.Sf_framecode NTF2 _Entity.Entry_ID 5887 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Nuclear transport factor 2' _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 ; MGDKPIWEQIGSSFIQHYYQ 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 5888 . NTF2_W7A . . . . . 100.00 127 99.21 99.21 1.05e-87 . . . . 5887 1 2 no PDB 1A2K . "Gdpran-Ntf2 Complex" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 3 no PDB 1AR0 . "Nuclear Transport Factor 2 (Ntf2) E42k Mutant" . . . . . 100.00 127 99.21 100.00 2.18e-88 . . . . 5887 1 4 no PDB 1ASK . "Nuclear Transport Factor 2 (Ntf2) H66a Mutant" . . . . . 100.00 127 99.21 99.21 5.77e-88 . . . . 5887 1 5 no PDB 1GY5 . "D92n,D94n Double Point Mutant Of Human Nuclear Transport Factor 2 (Ntf2)" . . . . . 100.00 127 98.43 100.00 6.23e-88 . . . . 5887 1 6 no PDB 1GY6 . "Ntf2 From Rat, Ammonium Sulphate Conditions" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 7 no PDB 1JB2 . "Crystal Structure Of Ntf2 M84e Mutant" . . . . . 100.00 127 98.43 98.43 2.44e-87 . . . . 5887 1 8 no PDB 1JB4 . "Crystal Structure Of Ntf2 M102e Mutant" . . . . . 100.00 127 98.43 98.43 2.44e-87 . . . . 5887 1 9 no PDB 1JB5 . "Crystal Structure Of Ntf2 M118e Mutant" . . . . . 100.00 127 98.43 98.43 2.44e-87 . . . . 5887 1 10 no PDB 1OUN . "Crystal Structure Of Nuclear Transport Factor 2 (Ntf2)" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 11 no PDB 1QMA . "Nuclear Transport Factor 2 (Ntf2) W7a Mutant" . . . . . 99.21 126 99.21 99.21 7.86e-87 . . . . 5887 1 12 no PDB 1U5O . "Structure Of The D23a Mutant Of The Nuclear Transport Carrier Ntf2" . . . . . 100.00 127 99.21 99.21 3.90e-88 . . . . 5887 1 13 no DBJ BAB22117 . "unnamed protein product [Mus musculus]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 14 no DBJ BAB28283 . "unnamed protein product [Mus musculus]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 15 no DBJ BAB32122 . "unnamed protein product [Mus musculus]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 16 no DBJ BAC25936 . "unnamed protein product [Mus musculus]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 17 no DBJ BAC34511 . "unnamed protein product [Mus musculus]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 18 no EMBL CAA30278 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 19 no EMBL CAA62839 . "nuclear transport factor 2 [Rattus norvegicus]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 20 no EMBL CAG33218 . "NUTF2 [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 21 no EMBL CAH91946 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 127 99.21 100.00 3.00e-88 . . . . 5887 1 22 no GB AAA85905 . "nuclear transport factor 2 [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 23 no GB AAH02348 . "Nuclear transport factor 2 [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 24 no GB AAH03955 . "Nuclear transport factor 2 [Mus musculus]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 25 no GB AAH61569 . "Nuclear transport factor 2 [Rattus norvegicus]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 26 no GB AAH83165 . "Nuclear transport factor 2 [Mus musculus]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 27 no REF NP_001007630 . "nuclear transport factor 2 [Rattus norvegicus]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 28 no REF NP_001032713 . "nuclear transport factor 2 [Bos taurus]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 29 no REF NP_001126129 . "nuclear transport factor 2 [Pongo abelii]" . . . . . 100.00 127 99.21 100.00 3.00e-88 . . . . 5887 1 30 no REF NP_001271650 . "uncharacterized protein LOC101865641 [Macaca fascicularis]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 31 no REF NP_005787 . "nuclear transport factor 2 [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 32 no SP P61970 . "RecName: Full=Nuclear transport factor 2; Short=NTF-2; AltName: Full=Placental protein 15; Short=PP15 [Homo sapiens]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 33 no SP P61971 . "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Mus musculus]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 34 no SP P61972 . "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Rattus norvegicus]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 35 no SP Q32KP9 . "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Bos taurus]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 1 36 no SP Q5R8G4 . "RecName: Full=Nuclear transport factor 2; Short=NTF-2 [Pongo abelii]" . . . . . 100.00 127 99.21 100.00 3.00e-88 . . . . 5887 1 37 no TPG DAA20137 . "TPA: nuclear transport factor 2 [Bos taurus]" . . . . . 100.00 127 100.00 100.00 5.00e-89 . . . . 5887 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' common 5887 1 NTF2 abbreviation 5887 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 . 5887 1 2 . GLY . 5887 1 3 . ASP . 5887 1 4 . LYS . 5887 1 5 . PRO . 5887 1 6 . ILE . 5887 1 7 . TRP . 5887 1 8 . GLU . 5887 1 9 . GLN . 5887 1 10 . ILE . 5887 1 11 . GLY . 5887 1 12 . SER . 5887 1 13 . SER . 5887 1 14 . PHE . 5887 1 15 . ILE . 5887 1 16 . GLN . 5887 1 17 . HIS . 5887 1 18 . TYR . 5887 1 19 . TYR . 5887 1 20 . GLN . 5887 1 21 . LEU . 5887 1 22 . PHE . 5887 1 23 . ASP . 5887 1 24 . ASN . 5887 1 25 . ASP . 5887 1 26 . ARG . 5887 1 27 . THR . 5887 1 28 . GLN . 5887 1 29 . LEU . 5887 1 30 . GLY . 5887 1 31 . ALA . 5887 1 32 . ILE . 5887 1 33 . TYR . 5887 1 34 . ILE . 5887 1 35 . ASP . 5887 1 36 . ALA . 5887 1 37 . SER . 5887 1 38 . CYS . 5887 1 39 . LEU . 5887 1 40 . THR . 5887 1 41 . TRP . 5887 1 42 . GLU . 5887 1 43 . GLY . 5887 1 44 . GLN . 5887 1 45 . GLN . 5887 1 46 . PHE . 5887 1 47 . GLN . 5887 1 48 . GLY . 5887 1 49 . LYS . 5887 1 50 . ALA . 5887 1 51 . ALA . 5887 1 52 . ILE . 5887 1 53 . VAL . 5887 1 54 . GLU . 5887 1 55 . LYS . 5887 1 56 . LEU . 5887 1 57 . SER . 5887 1 58 . SER . 5887 1 59 . LEU . 5887 1 60 . PRO . 5887 1 61 . PHE . 5887 1 62 . GLN . 5887 1 63 . LYS . 5887 1 64 . ILE . 5887 1 65 . GLN . 5887 1 66 . HIS . 5887 1 67 . SER . 5887 1 68 . ILE . 5887 1 69 . THR . 5887 1 70 . ALA . 5887 1 71 . GLN . 5887 1 72 . ASP . 5887 1 73 . HIS . 5887 1 74 . GLN . 5887 1 75 . PRO . 5887 1 76 . THR . 5887 1 77 . PRO . 5887 1 78 . ASP . 5887 1 79 . SER . 5887 1 80 . CYS . 5887 1 81 . ILE . 5887 1 82 . ILE . 5887 1 83 . SER . 5887 1 84 . MET . 5887 1 85 . VAL . 5887 1 86 . VAL . 5887 1 87 . GLY . 5887 1 88 . GLN . 5887 1 89 . LEU . 5887 1 90 . LYS . 5887 1 91 . ALA . 5887 1 92 . ASP . 5887 1 93 . GLU . 5887 1 94 . ASP . 5887 1 95 . PRO . 5887 1 96 . ILE . 5887 1 97 . MET . 5887 1 98 . GLY . 5887 1 99 . PHE . 5887 1 100 . HIS . 5887 1 101 . GLN . 5887 1 102 . MET . 5887 1 103 . PHE . 5887 1 104 . LEU . 5887 1 105 . LEU . 5887 1 106 . LYS . 5887 1 107 . ASN . 5887 1 108 . ILE . 5887 1 109 . ASN . 5887 1 110 . ASP . 5887 1 111 . ALA . 5887 1 112 . TRP . 5887 1 113 . VAL . 5887 1 114 . CYS . 5887 1 115 . THR . 5887 1 116 . ASN . 5887 1 117 . ASP . 5887 1 118 . MET . 5887 1 119 . PHE . 5887 1 120 . ARG . 5887 1 121 . LEU . 5887 1 122 . ALA . 5887 1 123 . LEU . 5887 1 124 . HIS . 5887 1 125 . ASN . 5887 1 126 . PHE . 5887 1 127 . GLY . 5887 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 5887 1 . GLY 2 2 5887 1 . ASP 3 3 5887 1 . LYS 4 4 5887 1 . PRO 5 5 5887 1 . ILE 6 6 5887 1 . TRP 7 7 5887 1 . GLU 8 8 5887 1 . GLN 9 9 5887 1 . ILE 10 10 5887 1 . GLY 11 11 5887 1 . SER 12 12 5887 1 . SER 13 13 5887 1 . PHE 14 14 5887 1 . ILE 15 15 5887 1 . GLN 16 16 5887 1 . HIS 17 17 5887 1 . TYR 18 18 5887 1 . TYR 19 19 5887 1 . GLN 20 20 5887 1 . LEU 21 21 5887 1 . PHE 22 22 5887 1 . ASP 23 23 5887 1 . ASN 24 24 5887 1 . ASP 25 25 5887 1 . ARG 26 26 5887 1 . THR 27 27 5887 1 . GLN 28 28 5887 1 . LEU 29 29 5887 1 . GLY 30 30 5887 1 . ALA 31 31 5887 1 . ILE 32 32 5887 1 . TYR 33 33 5887 1 . ILE 34 34 5887 1 . ASP 35 35 5887 1 . ALA 36 36 5887 1 . SER 37 37 5887 1 . CYS 38 38 5887 1 . LEU 39 39 5887 1 . THR 40 40 5887 1 . TRP 41 41 5887 1 . GLU 42 42 5887 1 . GLY 43 43 5887 1 . GLN 44 44 5887 1 . GLN 45 45 5887 1 . PHE 46 46 5887 1 . GLN 47 47 5887 1 . GLY 48 48 5887 1 . LYS 49 49 5887 1 . ALA 50 50 5887 1 . ALA 51 51 5887 1 . ILE 52 52 5887 1 . VAL 53 53 5887 1 . GLU 54 54 5887 1 . LYS 55 55 5887 1 . LEU 56 56 5887 1 . SER 57 57 5887 1 . SER 58 58 5887 1 . LEU 59 59 5887 1 . PRO 60 60 5887 1 . PHE 61 61 5887 1 . GLN 62 62 5887 1 . LYS 63 63 5887 1 . ILE 64 64 5887 1 . GLN 65 65 5887 1 . HIS 66 66 5887 1 . SER 67 67 5887 1 . ILE 68 68 5887 1 . THR 69 69 5887 1 . ALA 70 70 5887 1 . GLN 71 71 5887 1 . ASP 72 72 5887 1 . HIS 73 73 5887 1 . GLN 74 74 5887 1 . PRO 75 75 5887 1 . THR 76 76 5887 1 . PRO 77 77 5887 1 . ASP 78 78 5887 1 . SER 79 79 5887 1 . CYS 80 80 5887 1 . ILE 81 81 5887 1 . ILE 82 82 5887 1 . SER 83 83 5887 1 . MET 84 84 5887 1 . VAL 85 85 5887 1 . VAL 86 86 5887 1 . GLY 87 87 5887 1 . GLN 88 88 5887 1 . LEU 89 89 5887 1 . LYS 90 90 5887 1 . ALA 91 91 5887 1 . ASP 92 92 5887 1 . GLU 93 93 5887 1 . ASP 94 94 5887 1 . PRO 95 95 5887 1 . ILE 96 96 5887 1 . MET 97 97 5887 1 . GLY 98 98 5887 1 . PHE 99 99 5887 1 . HIS 100 100 5887 1 . GLN 101 101 5887 1 . MET 102 102 5887 1 . PHE 103 103 5887 1 . LEU 104 104 5887 1 . LEU 105 105 5887 1 . LYS 106 106 5887 1 . ASN 107 107 5887 1 . ILE 108 108 5887 1 . ASN 109 109 5887 1 . ASP 110 110 5887 1 . ALA 111 111 5887 1 . TRP 112 112 5887 1 . VAL 113 113 5887 1 . CYS 114 114 5887 1 . THR 115 115 5887 1 . ASN 116 116 5887 1 . ASP 117 117 5887 1 . MET 118 118 5887 1 . PHE 119 119 5887 1 . ARG 120 120 5887 1 . LEU 121 121 5887 1 . ALA 122 122 5887 1 . LEU 123 123 5887 1 . HIS 124 124 5887 1 . ASN 125 125 5887 1 . PHE 126 126 5887 1 . GLY 127 127 5887 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 5887 _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 . 10116 . . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 5887 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 5887 _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 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5887 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5887 _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' . . . 1 $NTF2 . . . 0.4 1 mM . . . . 5887 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5887 1 3 'sodium chloride' . . . . . . . 50 . . mM . . . . 5887 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5887 _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' '[U-98% 15N]' . . 1 $NTF2 . . . 0.4 1 mM . . . . 5887 2 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5887 2 3 'sodium chloride' . . . . . . . 50 . . mM . . . . 5887 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5887 _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' '[U-98% 13C; U-98% 15N]' . . 1 $NTF2 . . . 0.4 1 mM . . . . 5887 3 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5887 3 3 'sodium chloride' . . . . . . . 50 . . mM . . . . 5887 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 5887 _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 pH 5887 1 temperature 300 0.5 K 5887 1 stop_ save_ ############################ # Computer software used # ############################ save_xwin-nmr _Software.Sf_category software _Software.Sf_framecode xwin-nmr _Software.Entry_ID 5887 _Software.ID 1 _Software.Name xwin-nmr _Software.Version 2.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5887 1 stop_ save_ save_sparky _Software.Sf_category software _Software.Sf_framecode sparky _Software.Entry_ID 5887 _Software.ID 2 _Software.Name sparky _Software.Version 3.91 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'visualisation during assignment' 5887 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 5887 _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 5887 _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 5887 _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 5887 _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 . . . 5887 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5887 1 3 NMR_spectrometer_3 Bruker DRX . 500 . . . 5887 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 5887 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D (1H, 1H) NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5887 1 2 '2D (1H, 1H) TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5887 1 3 '2D (1H, 1H) 2Q correlation' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5887 1 4 '2D 15N-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5887 1 5 '2D 13C-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5887 1 6 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5887 1 7 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5887 1 8 '3D HNHAHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5887 1 9 '3D HBHA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5887 1 10 '3D 15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5887 1 11 '3D 13C NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5887 1 12 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5887 1 13 '3D H(CCCO)NH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5887 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 5887 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D (1H, 1H) NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5887 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D (1H, 1H) 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5887 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D (1H, 1H) 2Q correlation' _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 5887 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5887 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5887 _NMR_spec_expt.ID 6 _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5887 _NMR_spec_expt.ID 7 _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5887 _NMR_spec_expt.ID 8 _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5887 _NMR_spec_expt.ID 9 _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_ 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 5887 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5887 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5887 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5887 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D H(CCCO)NH-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 5887 _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 . . . . . . . . . 5887 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5887 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5887 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 5887 _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 . 5887 1 . . 2 $sample_2 . 5887 1 . . 3 $sample_3 . 5887 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 8.54 0.02 . 1 . . . . . . . . 5887 1 2 . 1 1 2 2 GLY HA2 H 1 4.01 0.02 . 2 . . . . . . . . 5887 1 3 . 1 1 2 2 GLY HA3 H 1 3.98 0.02 . 2 . . . . . . . . 5887 1 4 . 1 1 2 2 GLY CA C 13 43.1 0.2 . 1 . . . . . . . . 5887 1 5 . 1 1 2 2 GLY N N 15 110.1 0.2 . 1 . . . . . . . . 5887 1 6 . 1 1 3 3 ASP H H 1 8.34 0.02 . 1 . . . . . . . . 5887 1 7 . 1 1 3 3 ASP HB2 H 1 2.61 0.02 . 2 . . . . . . . . 5887 1 8 . 1 1 3 3 ASP HB3 H 1 2.49 0.02 . 2 . . . . . . . . 5887 1 9 . 1 1 3 3 ASP CA C 13 52.2 0.2 . 1 . . . . . . . . 5887 1 10 . 1 1 3 3 ASP CB C 13 39.2 0.2 . 1 . . . . . . . . 5887 1 11 . 1 1 3 3 ASP N N 15 119.7 0.2 . 1 . . . . . . . . 5887 1 12 . 1 1 4 4 LYS H H 1 8.37 0.02 . 1 . . . . . . . . 5887 1 13 . 1 1 4 4 LYS HA H 1 4.47 0.02 . 1 . . . . . . . . 5887 1 14 . 1 1 4 4 LYS HB2 H 1 1.57 0.02 . 2 . . . . . . . . 5887 1 15 . 1 1 4 4 LYS HG2 H 1 1.39 0.02 . 2 . . . . . . . . 5887 1 16 . 1 1 4 4 LYS CA C 13 46.6 0.2 . 1 . . . . . . . . 5887 1 17 . 1 1 4 4 LYS CB C 13 30.1 0.2 . 1 . . . . . . . . 5887 1 18 . 1 1 4 4 LYS CG C 13 22.4 0.2 . 1 . . . . . . . . 5887 1 19 . 1 1 4 4 LYS N N 15 121.9 0.2 . 1 . . . . . . . . 5887 1 20 . 1 1 5 5 PRO HA H 1 4.03 0.02 . 1 . . . . . . . . 5887 1 21 . 1 1 5 5 PRO HB2 H 1 1.24 0.02 . 2 . . . . . . . . 5887 1 22 . 1 1 5 5 PRO HB3 H 1 -0.06 0.02 . 2 . . . . . . . . 5887 1 23 . 1 1 5 5 PRO HG2 H 1 1.80 0.02 . 2 . . . . . . . . 5887 1 24 . 1 1 5 5 PRO HG3 H 1 1.43 0.02 . 2 . . . . . . . . 5887 1 25 . 1 1 5 5 PRO HD2 H 1 3.69 0.02 . 2 . . . . . . . . 5887 1 26 . 1 1 5 5 PRO HD3 H 1 3.47 0.02 . 2 . . . . . . . . 5887 1 27 . 1 1 5 5 PRO CA C 13 59.8 0.2 . 1 . . . . . . . . 5887 1 28 . 1 1 5 5 PRO CB C 13 29.1 0.2 . 1 . . . . . . . . 5887 1 29 . 1 1 5 5 PRO CG C 13 25.4 0.2 . 1 . . . . . . . . 5887 1 30 . 1 1 5 5 PRO CD C 13 48.0 0.2 . 1 . . . . . . . . 5887 1 31 . 1 1 6 6 ILE H H 1 8.58 0.02 . 1 . . . . . . . . 5887 1 32 . 1 1 6 6 ILE HA H 1 3.78 0.02 . 1 . . . . . . . . 5887 1 33 . 1 1 6 6 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 5887 1 34 . 1 1 6 6 ILE HG12 H 1 1.39 0.02 . 2 . . . . . . . . 5887 1 35 . 1 1 6 6 ILE HG13 H 1 1.33 0.02 . 2 . . . . . . . . 5887 1 36 . 1 1 6 6 ILE HG21 H 1 1.02 0.02 . 1 . . . . . . . . 5887 1 37 . 1 1 6 6 ILE HG22 H 1 1.02 0.02 . 1 . . . . . . . . 5887 1 38 . 1 1 6 6 ILE HG23 H 1 1.02 0.02 . 1 . . . . . . . . 5887 1 39 . 1 1 6 6 ILE HD11 H 1 0.90 0.02 . 1 . . . . . . . . 5887 1 40 . 1 1 6 6 ILE HD12 H 1 0.90 0.02 . 1 . . . . . . . . 5887 1 41 . 1 1 6 6 ILE HD13 H 1 0.90 0.02 . 1 . . . . . . . . 5887 1 42 . 1 1 6 6 ILE CA C 13 60.8 0.2 . 1 . . . . . . . . 5887 1 43 . 1 1 6 6 ILE CB C 13 35.6 0.2 . 1 . . . . . . . . 5887 1 44 . 1 1 6 6 ILE CG1 C 13 26.1 0.2 . 1 . . . . . . . . 5887 1 45 . 1 1 6 6 ILE CG2 C 13 15.6 0.2 . 1 . . . . . . . . 5887 1 46 . 1 1 6 6 ILE CD1 C 13 11.0 0.2 . 1 . . . . . . . . 5887 1 47 . 1 1 6 6 ILE N N 15 122.4 0.2 . 1 . . . . . . . . 5887 1 48 . 1 1 7 7 TRP H H 1 6.53 0.02 . 1 . . . . . . . . 5887 1 49 . 1 1 7 7 TRP HA H 1 4.22 0.02 . 1 . . . . . . . . 5887 1 50 . 1 1 7 7 TRP HB2 H 1 3.38 0.02 . 2 . . . . . . . . 5887 1 51 . 1 1 7 7 TRP HB3 H 1 2.90 0.02 . 2 . . . . . . . . 5887 1 52 . 1 1 7 7 TRP HD1 H 1 6.95 0.02 . 1 . . . . . . . . 5887 1 53 . 1 1 7 7 TRP HE1 H 1 10.99 0.02 . 1 . . . . . . . . 5887 1 54 . 1 1 7 7 TRP HE3 H 1 7.61 0.02 . 1 . . . . . . . . 5887 1 55 . 1 1 7 7 TRP HZ2 H 1 7.68 0.02 . 1 . . . . . . . . 5887 1 56 . 1 1 7 7 TRP HZ3 H 1 7.36 0.02 . 1 . . . . . . . . 5887 1 57 . 1 1 7 7 TRP HH2 H 1 7.42 0.02 . 1 . . . . . . . . 5887 1 58 . 1 1 7 7 TRP CA C 13 56.6 0.2 . 1 . . . . . . . . 5887 1 59 . 1 1 7 7 TRP CB C 13 24.9 0.2 . 1 . . . . . . . . 5887 1 60 . 1 1 7 7 TRP CD1 C 13 125.4 0.2 . 1 . . . . . . . . 5887 1 61 . 1 1 7 7 TRP CE3 C 13 117.3 0.2 . 1 . . . . . . . . 5887 1 62 . 1 1 7 7 TRP CZ2 C 13 113.4 0.2 . 1 . . . . . . . . 5887 1 63 . 1 1 7 7 TRP CZ3 C 13 121.5 0.2 . 1 . . . . . . . . 5887 1 64 . 1 1 7 7 TRP CH2 C 13 123.5 0.2 . 1 . . . . . . . . 5887 1 65 . 1 1 7 7 TRP N N 15 115.2 0.2 . 1 . . . . . . . . 5887 1 66 . 1 1 7 7 TRP NE1 N 15 132.8 0.2 . 1 . . . . . . . . 5887 1 67 . 1 1 8 8 GLU H H 1 6.20 0.02 . 1 . . . . . . . . 5887 1 68 . 1 1 8 8 GLU HA H 1 3.78 0.02 . 1 . . . . . . . . 5887 1 69 . 1 1 8 8 GLU HB2 H 1 1.83 0.02 . 2 . . . . . . . . 5887 1 70 . 1 1 8 8 GLU HG2 H 1 2.21 0.02 . 2 . . . . . . . . 5887 1 71 . 1 1 8 8 GLU CA C 13 56.0 0.2 . 1 . . . . . . . . 5887 1 72 . 1 1 8 8 GLU CB C 13 27.4 0.2 . 1 . . . . . . . . 5887 1 73 . 1 1 8 8 GLU CG C 13 33.7 0.2 . 1 . . . . . . . . 5887 1 74 . 1 1 8 8 GLU N N 15 120.2 0.2 . 1 . . . . . . . . 5887 1 75 . 1 1 9 9 GLN H H 1 7.58 0.02 . 1 . . . . . . . . 5887 1 76 . 1 1 9 9 GLN HA H 1 3.79 0.02 . 1 . . . . . . . . 5887 1 77 . 1 1 9 9 GLN HB2 H 1 2.03 0.02 . 2 . . . . . . . . 5887 1 78 . 1 1 9 9 GLN HE21 H 1 6.66 0.02 . 2 . . . . . . . . 5887 1 79 . 1 1 9 9 GLN HE22 H 1 7.28 0.02 . 2 . . . . . . . . 5887 1 80 . 1 1 9 9 GLN CA C 13 57.3 0.2 . 1 . . . . . . . . 5887 1 81 . 1 1 9 9 GLN CB C 13 26.1 0.2 . 1 . . . . . . . . 5887 1 82 . 1 1 9 9 GLN N N 15 120.4 0.2 . 1 . . . . . . . . 5887 1 83 . 1 1 9 9 GLN NE2 N 15 110.9 0.2 . 1 . . . . . . . . 5887 1 84 . 1 1 10 10 ILE H H 1 8.10 0.02 . 1 . . . . . . . . 5887 1 85 . 1 1 10 10 ILE HA H 1 3.38 0.02 . 1 . . . . . . . . 5887 1 86 . 1 1 10 10 ILE HG12 H 1 1.64 0.02 . 2 . . . . . . . . 5887 1 87 . 1 1 10 10 ILE HG21 H 1 -0.52 0.02 . 1 . . . . . . . . 5887 1 88 . 1 1 10 10 ILE HG22 H 1 -0.52 0.02 . 1 . . . . . . . . 5887 1 89 . 1 1 10 10 ILE HG23 H 1 -0.52 0.02 . 1 . . . . . . . . 5887 1 90 . 1 1 10 10 ILE HD11 H 1 0.53 0.02 . 1 . . . . . . . . 5887 1 91 . 1 1 10 10 ILE HD12 H 1 0.53 0.02 . 1 . . . . . . . . 5887 1 92 . 1 1 10 10 ILE HD13 H 1 0.53 0.02 . 1 . . . . . . . . 5887 1 93 . 1 1 10 10 ILE CA C 13 61.9 0.2 . 1 . . . . . . . . 5887 1 94 . 1 1 10 10 ILE CB C 13 35.3 0.2 . 1 . . . . . . . . 5887 1 95 . 1 1 10 10 ILE CG1 C 13 24.9 0.2 . 1 . . . . . . . . 5887 1 96 . 1 1 10 10 ILE CG2 C 13 13.0 0.2 . 1 . . . . . . . . 5887 1 97 . 1 1 10 10 ILE CD1 C 13 10.7 0.2 . 1 . . . . . . . . 5887 1 98 . 1 1 10 10 ILE N N 15 119.3 0.2 . 1 . . . . . . . . 5887 1 99 . 1 1 11 11 GLY H H 1 7.88 0.02 . 1 . . . . . . . . 5887 1 100 . 1 1 11 11 GLY HA2 H 1 3.33 0.02 . 2 . . . . . . . . 5887 1 101 . 1 1 11 11 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 5887 1 102 . 1 1 11 11 GLY N N 15 107.4 0.2 . 1 . . . . . . . . 5887 1 103 . 1 1 12 12 SER H H 1 7.74 0.02 . 1 . . . . . . . . 5887 1 104 . 1 1 12 12 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 5887 1 105 . 1 1 12 12 SER HB2 H 1 3.87 0.02 . 2 . . . . . . . . 5887 1 106 . 1 1 12 12 SER CA C 13 59.3 0.2 . 1 . . . . . . . . 5887 1 107 . 1 1 12 12 SER CB C 13 61.0 0.2 . 1 . . . . . . . . 5887 1 108 . 1 1 12 12 SER N N 15 114.8 0.2 . 1 . . . . . . . . 5887 1 109 . 1 1 13 13 SER H H 1 7.52 0.02 . 1 . . . . . . . . 5887 1 110 . 1 1 13 13 SER HB2 H 1 3.91 0.02 . 2 . . . . . . . . 5887 1 111 . 1 1 13 13 SER HB3 H 1 3.98 0.02 . 2 . . . . . . . . 5887 1 112 . 1 1 13 13 SER CB C 13 60.5 0.2 . 1 . . . . . . . . 5887 1 113 . 1 1 13 13 SER N N 15 118.3 0.2 . 1 . . . . . . . . 5887 1 114 . 1 1 14 14 PHE H H 1 8.37 0.02 . 1 . . . . . . . . 5887 1 115 . 1 1 14 14 PHE HA H 1 4.09 0.02 . 1 . . . . . . . . 5887 1 116 . 1 1 14 14 PHE HB2 H 1 3.26 0.02 . 2 . . . . . . . . 5887 1 117 . 1 1 14 14 PHE HB3 H 1 3.13 0.02 . 2 . . . . . . . . 5887 1 118 . 1 1 14 14 PHE HD1 H 1 6.83 0.02 . 4 . . . . . . . . 5887 1 119 . 1 1 14 14 PHE HD2 H 1 6.83 0.02 . 4 . . . . . . . . 5887 1 120 . 1 1 14 14 PHE HE1 H 1 6.68 0.02 . 4 . . . . . . . . 5887 1 121 . 1 1 14 14 PHE HE2 H 1 6.68 0.02 . 4 . . . . . . . . 5887 1 122 . 1 1 14 14 PHE HZ H 1 6.38 0.02 . 4 . . . . . . . . 5887 1 123 . 1 1 14 14 PHE CA C 13 60.0 0.2 . 1 . . . . . . . . 5887 1 124 . 1 1 14 14 PHE CB C 13 36.7 0.2 . 1 . . . . . . . . 5887 1 125 . 1 1 14 14 PHE CD1 C 13 126.9 0.2 . 4 . . . . . . . . 5887 1 126 . 1 1 14 14 PHE CD2 C 13 126.9 0.2 . 4 . . . . . . . . 5887 1 127 . 1 1 14 14 PHE CE1 C 13 126.7 0.2 . 4 . . . . . . . . 5887 1 128 . 1 1 14 14 PHE CE2 C 13 126.7 0.2 . 4 . . . . . . . . 5887 1 129 . 1 1 14 14 PHE CZ C 13 128.2 0.2 . 4 . . . . . . . . 5887 1 130 . 1 1 14 14 PHE N N 15 123.7 0.2 . 1 . . . . . . . . 5887 1 131 . 1 1 15 15 ILE H H 1 8.48 0.02 . 1 . . . . . . . . 5887 1 132 . 1 1 15 15 ILE HA H 1 3.51 0.02 . 1 . . . . . . . . 5887 1 133 . 1 1 15 15 ILE HB H 1 2.30 0.02 . 1 . . . . . . . . 5887 1 134 . 1 1 15 15 ILE HG12 H 1 1.85 0.02 . 2 . . . . . . . . 5887 1 135 . 1 1 15 15 ILE HG13 H 1 1.12 0.02 . 2 . . . . . . . . 5887 1 136 . 1 1 15 15 ILE HG21 H 1 1.12 0.02 . 1 . . . . . . . . 5887 1 137 . 1 1 15 15 ILE HG22 H 1 1.12 0.02 . 1 . . . . . . . . 5887 1 138 . 1 1 15 15 ILE HG23 H 1 1.12 0.02 . 1 . . . . . . . . 5887 1 139 . 1 1 15 15 ILE HD11 H 1 1.00 0.02 . 1 . . . . . . . . 5887 1 140 . 1 1 15 15 ILE HD12 H 1 1.00 0.02 . 1 . . . . . . . . 5887 1 141 . 1 1 15 15 ILE HD13 H 1 1.00 0.02 . 1 . . . . . . . . 5887 1 142 . 1 1 15 15 ILE CA C 13 61.6 0.2 . 1 . . . . . . . . 5887 1 143 . 1 1 15 15 ILE CB C 13 35.1 0.2 . 1 . . . . . . . . 5887 1 144 . 1 1 15 15 ILE CG1 C 13 25.9 0.2 . 1 . . . . . . . . 5887 1 145 . 1 1 15 15 ILE CG2 C 13 16.7 0.2 . 1 . . . . . . . . 5887 1 146 . 1 1 15 15 ILE CD1 C 13 12.2 0.2 . 1 . . . . . . . . 5887 1 147 . 1 1 15 15 ILE N N 15 117.3 0.2 . 1 . . . . . . . . 5887 1 148 . 1 1 16 16 GLN H H 1 7.75 0.02 . 1 . . . . . . . . 5887 1 149 . 1 1 16 16 GLN HA H 1 3.99 0.02 . 1 . . . . . . . . 5887 1 150 . 1 1 16 16 GLN HB2 H 1 2.23 0.02 . 2 . . . . . . . . 5887 1 151 . 1 1 16 16 GLN HE21 H 1 7.61 0.02 . 2 . . . . . . . . 5887 1 152 . 1 1 16 16 GLN HE22 H 1 6.84 0.02 . 2 . . . . . . . . 5887 1 153 . 1 1 16 16 GLN CA C 13 57.0 0.2 . 1 . . . . . . . . 5887 1 154 . 1 1 16 16 GLN CB C 13 26.1 0.2 . 1 . . . . . . . . 5887 1 155 . 1 1 16 16 GLN N N 15 118.2 0.2 . 1 . . . . . . . . 5887 1 156 . 1 1 16 16 GLN NE2 N 15 112.0 0.2 . 1 . . . . . . . . 5887 1 157 . 1 1 17 17 HIS H H 1 7.69 0.02 . 1 . . . . . . . . 5887 1 158 . 1 1 17 17 HIS HA H 1 4.33 0.02 . 1 . . . . . . . . 5887 1 159 . 1 1 17 17 HIS HB2 H 1 3.09 0.02 . 2 . . . . . . . . 5887 1 160 . 1 1 17 17 HIS HD2 H 1 6.80 0.02 . 1 . . . . . . . . 5887 1 161 . 1 1 17 17 HIS HE1 H 1 7.76 0.02 . 1 . . . . . . . . 5887 1 162 . 1 1 17 17 HIS CA C 13 56.4 0.2 . 1 . . . . . . . . 5887 1 163 . 1 1 17 17 HIS CB C 13 27.2 0.2 . 1 . . . . . . . . 5887 1 164 . 1 1 17 17 HIS CD2 C 13 117.5 0.2 . 1 . . . . . . . . 5887 1 165 . 1 1 17 17 HIS CE1 C 13 135.3 0.2 . 1 . . . . . . . . 5887 1 166 . 1 1 17 17 HIS N N 15 118.1 0.2 . 1 . . . . . . . . 5887 1 167 . 1 1 18 18 TYR H H 1 8.68 0.02 . 1 . . . . . . . . 5887 1 168 . 1 1 18 18 TYR HA H 1 3.26 0.02 . 1 . . . . . . . . 5887 1 169 . 1 1 18 18 TYR HD1 H 1 5.76 0.02 . 1 . . . . . . . . 5887 1 170 . 1 1 18 18 TYR HD2 H 1 5.76 0.02 . 1 . . . . . . . . 5887 1 171 . 1 1 18 18 TYR HE1 H 1 6.77 0.02 . 1 . . . . . . . . 5887 1 172 . 1 1 18 18 TYR HE2 H 1 6.77 0.02 . 1 . . . . . . . . 5887 1 173 . 1 1 18 18 TYR CA C 13 60.0 0.2 . 1 . . . . . . . . 5887 1 174 . 1 1 18 18 TYR CB C 13 36.1 0.2 . 1 . . . . . . . . 5887 1 175 . 1 1 18 18 TYR CD1 C 13 130.3 0.2 . 1 . . . . . . . . 5887 1 176 . 1 1 18 18 TYR CD2 C 13 130.3 0.2 . 1 . . . . . . . . 5887 1 177 . 1 1 18 18 TYR CE1 C 13 117.2 0.2 . 1 . . . . . . . . 5887 1 178 . 1 1 18 18 TYR CE2 C 13 117.2 0.2 . 1 . . . . . . . . 5887 1 179 . 1 1 18 18 TYR N N 15 119.7 0.2 . 1 . . . . . . . . 5887 1 180 . 1 1 19 19 TYR H H 1 7.99 0.02 . 1 . . . . . . . . 5887 1 181 . 1 1 19 19 TYR HA H 1 4.00 0.02 . 1 . . . . . . . . 5887 1 182 . 1 1 19 19 TYR HB2 H 1 2.91 0.02 . 2 . . . . . . . . 5887 1 183 . 1 1 19 19 TYR HD1 H 1 6.46 0.02 . 1 . . . . . . . . 5887 1 184 . 1 1 19 19 TYR HD2 H 1 6.46 0.02 . 1 . . . . . . . . 5887 1 185 . 1 1 19 19 TYR HE1 H 1 6.52 0.02 . 1 . . . . . . . . 5887 1 186 . 1 1 19 19 TYR HE2 H 1 6.52 0.02 . 1 . . . . . . . . 5887 1 187 . 1 1 19 19 TYR CA C 13 60.4 0.2 . 1 . . . . . . . . 5887 1 188 . 1 1 19 19 TYR CB C 13 34.8 0.2 . 1 . . . . . . . . 5887 1 189 . 1 1 19 19 TYR N N 15 114.3 0.2 . 1 . . . . . . . . 5887 1 190 . 1 1 20 20 GLN H H 1 7.73 0.02 . 1 . . . . . . . . 5887 1 191 . 1 1 20 20 GLN HA H 1 4.12 0.02 . 1 . . . . . . . . 5887 1 192 . 1 1 20 20 GLN HB2 H 1 2.35 0.02 . 2 . . . . . . . . 5887 1 193 . 1 1 20 20 GLN CA C 13 57.3 0.2 . 1 . . . . . . . . 5887 1 194 . 1 1 20 20 GLN CB C 13 25.8 0.2 . 1 . . . . . . . . 5887 1 195 . 1 1 20 20 GLN N N 15 120.0 0.2 . 1 . . . . . . . . 5887 1 196 . 1 1 21 21 LEU H H 1 7.94 0.02 . 1 . . . . . . . . 5887 1 197 . 1 1 21 21 LEU HA H 1 3.93 0.02 . 1 . . . . . . . . 5887 1 198 . 1 1 21 21 LEU HB2 H 1 1.59 0.02 . 2 . . . . . . . . 5887 1 199 . 1 1 21 21 LEU CA C 13 55.5 0.2 . 1 . . . . . . . . 5887 1 200 . 1 1 21 21 LEU CB C 13 39.3 0.2 . 1 . . . . . . . . 5887 1 201 . 1 1 21 21 LEU N N 15 119.1 0.2 . 1 . . . . . . . . 5887 1 202 . 1 1 22 22 PHE H H 1 8.84 0.02 . 1 . . . . . . . . 5887 1 203 . 1 1 22 22 PHE HA H 1 3.20 0.02 . 1 . . . . . . . . 5887 1 204 . 1 1 22 22 PHE HB2 H 1 2.63 0.02 . 2 . . . . . . . . 5887 1 205 . 1 1 22 22 PHE CA C 13 58.3 0.2 . 1 . . . . . . . . 5887 1 206 . 1 1 22 22 PHE CB C 13 36.6 0.2 . 1 . . . . . . . . 5887 1 207 . 1 1 22 22 PHE N N 15 120.0 0.2 . 1 . . . . . . . . 5887 1 208 . 1 1 23 23 ASP H H 1 8.26 0.02 . 1 . . . . . . . . 5887 1 209 . 1 1 23 23 ASP HA H 1 4.74 0.02 . 1 . . . . . . . . 5887 1 210 . 1 1 23 23 ASP HB2 H 1 3.19 0.02 . 2 . . . . . . . . 5887 1 211 . 1 1 23 23 ASP HB3 H 1 2.91 0.02 . 2 . . . . . . . . 5887 1 212 . 1 1 23 23 ASP CA C 13 53.3 0.2 . 1 . . . . . . . . 5887 1 213 . 1 1 23 23 ASP CB C 13 37.1 0.2 . 1 . . . . . . . . 5887 1 214 . 1 1 23 23 ASP N N 15 113.6 0.2 . 1 . . . . . . . . 5887 1 215 . 1 1 24 24 ASN H H 1 7.72 0.02 . 1 . . . . . . . . 5887 1 216 . 1 1 24 24 ASN HA H 1 4.97 0.02 . 1 . . . . . . . . 5887 1 217 . 1 1 24 24 ASN HB2 H 1 2.84 0.02 . 2 . . . . . . . . 5887 1 218 . 1 1 24 24 ASN HB3 H 1 2.69 0.02 . 2 . . . . . . . . 5887 1 219 . 1 1 24 24 ASN HD21 H 1 8.11 0.02 . 2 . . . . . . . . 5887 1 220 . 1 1 24 24 ASN HD22 H 1 7.18 0.02 . 2 . . . . . . . . 5887 1 221 . 1 1 24 24 ASN CA C 13 53.0 0.2 . 1 . . . . . . . . 5887 1 222 . 1 1 24 24 ASN CB C 13 39.2 0.2 . 1 . . . . . . . . 5887 1 223 . 1 1 24 24 ASN N N 15 117.3 0.2 . 1 . . . . . . . . 5887 1 224 . 1 1 24 24 ASN ND2 N 15 114.8 0.2 . 1 . . . . . . . . 5887 1 225 . 1 1 25 25 ASP H H 1 8.91 0.02 . 1 . . . . . . . . 5887 1 226 . 1 1 25 25 ASP HA H 1 4.67 0.02 . 1 . . . . . . . . 5887 1 227 . 1 1 25 25 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 5887 1 228 . 1 1 25 25 ASP CA C 13 52.0 0.2 . 1 . . . . . . . . 5887 1 229 . 1 1 25 25 ASP CB C 13 37.3 0.2 . 1 . . . . . . . . 5887 1 230 . 1 1 25 25 ASP N N 15 118.5 0.2 . 1 . . . . . . . . 5887 1 231 . 1 1 26 26 ARG H H 1 8.61 0.02 . 1 . . . . . . . . 5887 1 232 . 1 1 26 26 ARG HA H 1 3.58 0.02 . 1 . . . . . . . . 5887 1 233 . 1 1 26 26 ARG HB2 H 1 1.57 0.02 . 2 . . . . . . . . 5887 1 234 . 1 1 26 26 ARG CA C 13 56.4 0.2 . 1 . . . . . . . . 5887 1 235 . 1 1 26 26 ARG CB C 13 26.8 0.2 . 2 . . . . . . . . 5887 1 236 . 1 1 26 26 ARG N N 15 123.5 0.2 . 1 . . . . . . . . 5887 1 237 . 1 1 27 27 THR H H 1 8.02 0.02 . 1 . . . . . . . . 5887 1 238 . 1 1 27 27 THR HA H 1 4.19 0.02 . 1 . . . . . . . . 5887 1 239 . 1 1 27 27 THR CA C 13 62.2 0.2 . 1 . . . . . . . . 5887 1 240 . 1 1 27 27 THR CB C 13 66.3 0.2 . 1 . . . . . . . . 5887 1 241 . 1 1 27 27 THR N N 15 109.4 0.2 . 1 . . . . . . . . 5887 1 242 . 1 1 28 28 GLN H H 1 7.69 0.02 . 1 . . . . . . . . 5887 1 243 . 1 1 28 28 GLN HA H 1 4.30 0.02 . 1 . . . . . . . . 5887 1 244 . 1 1 28 28 GLN HB2 H 1 2.39 0.02 . 2 . . . . . . . . 5887 1 245 . 1 1 28 28 GLN HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5887 1 246 . 1 1 28 28 GLN HE21 H 1 7.58 0.02 . 2 . . . . . . . . 5887 1 247 . 1 1 28 28 GLN HE22 H 1 6.79 0.02 . 2 . . . . . . . . 5887 1 248 . 1 1 28 28 GLN CA C 13 53.7 0.2 . 1 . . . . . . . . 5887 1 249 . 1 1 28 28 GLN CB C 13 26.7 0.2 . 1 . . . . . . . . 5887 1 250 . 1 1 28 28 GLN N N 15 118.1 0.2 . 1 . . . . . . . . 5887 1 251 . 1 1 28 28 GLN NE2 N 15 113.0 0.2 . 1 . . . . . . . . 5887 1 252 . 1 1 29 29 LEU H H 1 7.29 0.02 . 1 . . . . . . . . 5887 1 253 . 1 1 29 29 LEU HA H 1 3.88 0.02 . 1 . . . . . . . . 5887 1 254 . 1 1 29 29 LEU HB2 H 1 1.53 0.02 . 2 . . . . . . . . 5887 1 255 . 1 1 29 29 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 5887 1 256 . 1 1 29 29 LEU CB C 13 40.3 0.2 . 1 . . . . . . . . 5887 1 257 . 1 1 29 29 LEU N N 15 118.0 0.2 . 1 . . . . . . . . 5887 1 258 . 1 1 30 30 GLY H H 1 7.99 0.02 . 1 . . . . . . . . 5887 1 259 . 1 1 30 30 GLY HA2 H 1 3.97 0.02 . 2 . . . . . . . . 5887 1 260 . 1 1 30 30 GLY HA3 H 1 3.68 0.02 . 2 . . . . . . . . 5887 1 261 . 1 1 30 30 GLY CA C 13 45.9 0.2 . 1 . . . . . . . . 5887 1 262 . 1 1 30 30 GLY N N 15 104.0 0.2 . 1 . . . . . . . . 5887 1 263 . 1 1 31 31 ALA H H 1 7.18 0.02 . 1 . . . . . . . . 5887 1 264 . 1 1 31 31 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 5887 1 265 . 1 1 31 31 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . 5887 1 266 . 1 1 31 31 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . 5887 1 267 . 1 1 31 31 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . 5887 1 268 . 1 1 31 31 ALA CA C 13 51.8 0.2 . 1 . . . . . . . . 5887 1 269 . 1 1 31 31 ALA CB C 13 17.2 0.2 . 1 . . . . . . . . 5887 1 270 . 1 1 31 31 ALA N N 15 117.7 0.2 . 1 . . . . . . . . 5887 1 271 . 1 1 32 32 ILE H H 1 7.62 0.02 . 1 . . . . . . . . 5887 1 272 . 1 1 32 32 ILE HA H 1 4.49 0.02 . 1 . . . . . . . . 5887 1 273 . 1 1 32 32 ILE HB H 1 2.42 0.02 . 1 . . . . . . . . 5887 1 274 . 1 1 32 32 ILE HG12 H 1 1.26 0.02 . 2 . . . . . . . . 5887 1 275 . 1 1 32 32 ILE HG13 H 1 1.10 0.02 . 2 . . . . . . . . 5887 1 276 . 1 1 32 32 ILE HG21 H 1 0.77 0.02 . 1 . . . . . . . . 5887 1 277 . 1 1 32 32 ILE HG22 H 1 0.77 0.02 . 1 . . . . . . . . 5887 1 278 . 1 1 32 32 ILE HG23 H 1 0.77 0.02 . 1 . . . . . . . . 5887 1 279 . 1 1 32 32 ILE HD11 H 1 0.61 0.02 . 1 . . . . . . . . 5887 1 280 . 1 1 32 32 ILE HD12 H 1 0.61 0.02 . 1 . . . . . . . . 5887 1 281 . 1 1 32 32 ILE HD13 H 1 0.61 0.02 . 1 . . . . . . . . 5887 1 282 . 1 1 32 32 ILE CA C 13 58.3 0.2 . 1 . . . . . . . . 5887 1 283 . 1 1 32 32 ILE CB C 13 35.6 0.2 . 1 . . . . . . . . 5887 1 284 . 1 1 32 32 ILE CG1 C 13 25.4 0.2 . 1 . . . . . . . . 5887 1 285 . 1 1 32 32 ILE CG2 C 13 17.1 0.2 . 1 . . . . . . . . 5887 1 286 . 1 1 32 32 ILE CD1 C 13 11.8 0.2 . 1 . . . . . . . . 5887 1 287 . 1 1 32 32 ILE N N 15 110.9 0.2 . 1 . . . . . . . . 5887 1 288 . 1 1 33 33 TYR H H 1 7.21 0.02 . 1 . . . . . . . . 5887 1 289 . 1 1 33 33 TYR HA H 1 5.34 0.02 . 1 . . . . . . . . 5887 1 290 . 1 1 33 33 TYR HB2 H 1 3.33 0.02 . 2 . . . . . . . . 5887 1 291 . 1 1 33 33 TYR HB3 H 1 2.50 0.02 . 2 . . . . . . . . 5887 1 292 . 1 1 33 33 TYR HD1 H 1 7.12 0.02 . 1 . . . . . . . . 5887 1 293 . 1 1 33 33 TYR HD2 H 1 7.12 0.02 . 1 . . . . . . . . 5887 1 294 . 1 1 33 33 TYR HE1 H 1 6.72 0.02 . 1 . . . . . . . . 5887 1 295 . 1 1 33 33 TYR HE2 H 1 6.72 0.02 . 1 . . . . . . . . 5887 1 296 . 1 1 33 33 TYR CA C 13 54.9 0.2 . 1 . . . . . . . . 5887 1 297 . 1 1 33 33 TYR CB C 13 40.1 0.2 . 1 . . . . . . . . 5887 1 298 . 1 1 33 33 TYR CD1 C 13 127.2 0.2 . 1 . . . . . . . . 5887 1 299 . 1 1 33 33 TYR CD2 C 13 127.2 0.2 . 1 . . . . . . . . 5887 1 300 . 1 1 33 33 TYR CE1 C 13 115.6 0.2 . 1 . . . . . . . . 5887 1 301 . 1 1 33 33 TYR CE2 C 13 115.6 0.2 . 1 . . . . . . . . 5887 1 302 . 1 1 33 33 TYR N N 15 116.9 0.2 . 1 . . . . . . . . 5887 1 303 . 1 1 34 34 ILE H H 1 9.03 0.02 . 1 . . . . . . . . 5887 1 304 . 1 1 34 34 ILE HA H 1 4.09 0.02 . 1 . . . . . . . . 5887 1 305 . 1 1 34 34 ILE HG21 H 1 0.94 0.02 . 1 . . . . . . . . 5887 1 306 . 1 1 34 34 ILE HG22 H 1 0.94 0.02 . 1 . . . . . . . . 5887 1 307 . 1 1 34 34 ILE HG23 H 1 0.94 0.02 . 1 . . . . . . . . 5887 1 308 . 1 1 34 34 ILE HD11 H 1 0.86 0.02 . 1 . . . . . . . . 5887 1 309 . 1 1 34 34 ILE HD12 H 1 0.86 0.02 . 1 . . . . . . . . 5887 1 310 . 1 1 34 34 ILE HD13 H 1 0.86 0.02 . 1 . . . . . . . . 5887 1 311 . 1 1 34 34 ILE CA C 13 57.8 0.2 . 1 . . . . . . . . 5887 1 312 . 1 1 34 34 ILE CG2 C 13 16.9 0.2 . 1 . . . . . . . . 5887 1 313 . 1 1 34 34 ILE CD1 C 13 12.0 0.2 . 1 . . . . . . . . 5887 1 314 . 1 1 34 34 ILE N N 15 111.6 0.2 . 1 . . . . . . . . 5887 1 315 . 1 1 35 35 ASP H H 1 8.85 0.02 . 1 . . . . . . . . 5887 1 316 . 1 1 35 35 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 5887 1 317 . 1 1 35 35 ASP HB2 H 1 2.78 0.02 . 2 . . . . . . . . 5887 1 318 . 1 1 35 35 ASP CA C 13 56.8 0.2 . 1 . . . . . . . . 5887 1 319 . 1 1 35 35 ASP CB C 13 37.6 0.2 . 1 . . . . . . . . 5887 1 320 . 1 1 35 35 ASP N N 15 122.5 0.2 . 1 . . . . . . . . 5887 1 321 . 1 1 36 36 ALA H H 1 7.77 0.02 . 1 . . . . . . . . 5887 1 322 . 1 1 36 36 ALA HA H 1 4.57 0.02 . 1 . . . . . . . . 5887 1 323 . 1 1 36 36 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 5887 1 324 . 1 1 36 36 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 5887 1 325 . 1 1 36 36 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 5887 1 326 . 1 1 36 36 ALA CA C 13 49.5 0.2 . 1 . . . . . . . . 5887 1 327 . 1 1 36 36 ALA CB C 13 16.5 0.2 . 1 . . . . . . . . 5887 1 328 . 1 1 36 36 ALA N N 15 117.7 0.2 . 1 . . . . . . . . 5887 1 329 . 1 1 37 37 SER H H 1 7.88 0.02 . 1 . . . . . . . . 5887 1 330 . 1 1 37 37 SER HA H 1 4.97 0.02 . 1 . . . . . . . . 5887 1 331 . 1 1 37 37 SER CA C 13 59.3 0.2 . 1 . . . . . . . . 5887 1 332 . 1 1 37 37 SER CB C 13 62.2 0.2 . 1 . . . . . . . . 5887 1 333 . 1 1 37 37 SER N N 15 116.5 0.2 . 1 . . . . . . . . 5887 1 334 . 1 1 38 38 CYS H H 1 8.07 0.02 . 1 . . . . . . . . 5887 1 335 . 1 1 38 38 CYS HA H 1 5.08 0.02 . 1 . . . . . . . . 5887 1 336 . 1 1 38 38 CYS HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5887 1 337 . 1 1 38 38 CYS CA C 13 56.2 0.2 . 1 . . . . . . . . 5887 1 338 . 1 1 38 38 CYS CB C 13 28.1 0.2 . 1 . . . . . . . . 5887 1 339 . 1 1 38 38 CYS N N 15 120.0 0.2 . 1 . . . . . . . . 5887 1 340 . 1 1 39 39 LEU H H 1 8.77 0.02 . 1 . . . . . . . . 5887 1 341 . 1 1 39 39 LEU CA C 13 50.6 0.2 . 1 . . . . . . . . 5887 1 342 . 1 1 39 39 LEU CB C 13 45.8 0.2 . 1 . . . . . . . . 5887 1 343 . 1 1 39 39 LEU N N 15 126.5 0.2 . 1 . . . . . . . . 5887 1 344 . 1 1 40 40 THR H H 1 9.17 0.02 . 1 . . . . . . . . 5887 1 345 . 1 1 40 40 THR HA H 1 5.60 0.02 . 1 . . . . . . . . 5887 1 346 . 1 1 40 40 THR HB H 1 3.99 0.02 . 1 . . . . . . . . 5887 1 347 . 1 1 40 40 THR HG21 H 1 1.27 0.02 . 1 . . . . . . . . 5887 1 348 . 1 1 40 40 THR HG22 H 1 1.27 0.02 . 1 . . . . . . . . 5887 1 349 . 1 1 40 40 THR HG23 H 1 1.27 0.02 . 1 . . . . . . . . 5887 1 350 . 1 1 40 40 THR CA C 13 59.8 0.2 . 1 . . . . . . . . 5887 1 351 . 1 1 40 40 THR CB C 13 67.5 0.2 . 1 . . . . . . . . 5887 1 352 . 1 1 40 40 THR CG2 C 13 20.1 0.2 . 1 . . . . . . . . 5887 1 353 . 1 1 40 40 THR N N 15 123.5 0.2 . 1 . . . . . . . . 5887 1 354 . 1 1 41 41 TRP H H 1 9.65 0.02 . 1 . . . . . . . . 5887 1 355 . 1 1 41 41 TRP HA H 1 5.16 0.02 . 1 . . . . . . . . 5887 1 356 . 1 1 41 41 TRP HD1 H 1 7.17 0.02 . 1 . . . . . . . . 5887 1 357 . 1 1 41 41 TRP HE1 H 1 10.33 0.02 . 1 . . . . . . . . 5887 1 358 . 1 1 41 41 TRP HE3 H 1 7.47 0.02 . 1 . . . . . . . . 5887 1 359 . 1 1 41 41 TRP HZ2 H 1 6.91 0.02 . 1 . . . . . . . . 5887 1 360 . 1 1 41 41 TRP HZ3 H 1 6.75 0.02 . 1 . . . . . . . . 5887 1 361 . 1 1 41 41 TRP HH2 H 1 6.39 0.02 . 1 . . . . . . . . 5887 1 362 . 1 1 41 41 TRP CA C 13 54.3 0.2 . 1 . . . . . . . . 5887 1 363 . 1 1 41 41 TRP CB C 13 28.6 0.2 . 1 . . . . . . . . 5887 1 364 . 1 1 41 41 TRP CD1 C 13 123.8 0.2 . 1 . . . . . . . . 5887 1 365 . 1 1 41 41 TRP CE3 C 13 117.1 0.2 . 1 . . . . . . . . 5887 1 366 . 1 1 41 41 TRP CZ2 C 13 112.2 0.2 . 1 . . . . . . . . 5887 1 367 . 1 1 41 41 TRP CZ3 C 13 119.7 0.2 . 1 . . . . . . . . 5887 1 368 . 1 1 41 41 TRP CH2 C 13 121.6 0.2 . 1 . . . . . . . . 5887 1 369 . 1 1 41 41 TRP N N 15 128.4 0.2 . 1 . . . . . . . . 5887 1 370 . 1 1 41 41 TRP NE1 N 15 129.2 0.2 . 1 . . . . . . . . 5887 1 371 . 1 1 42 42 GLU H H 1 8.84 0.02 . 1 . . . . . . . . 5887 1 372 . 1 1 42 42 GLU HA H 1 4.04 0.02 . 1 . . . . . . . . 5887 1 373 . 1 1 42 42 GLU HB2 H 1 2.49 0.02 . 2 . . . . . . . . 5887 1 374 . 1 1 42 42 GLU HG2 H 1 3.24 0.02 . 2 . . . . . . . . 5887 1 375 . 1 1 42 42 GLU HG3 H 1 3.15 0.02 . 2 . . . . . . . . 5887 1 376 . 1 1 42 42 GLU CA C 13 55.1 0.2 . 1 . . . . . . . . 5887 1 377 . 1 1 42 42 GLU CB C 13 26.7 0.2 . 1 . . . . . . . . 5887 1 378 . 1 1 42 42 GLU CG C 13 28.9 0.2 . 1 . . . . . . . . 5887 1 379 . 1 1 42 42 GLU N N 15 128.4 0.2 . 1 . . . . . . . . 5887 1 380 . 1 1 43 43 GLY H H 1 9.50 0.02 . 1 . . . . . . . . 5887 1 381 . 1 1 43 43 GLY HA2 H 1 4.28 0.02 . 2 . . . . . . . . 5887 1 382 . 1 1 43 43 GLY HA3 H 1 3.70 0.02 . 2 . . . . . . . . 5887 1 383 . 1 1 43 43 GLY CA C 13 43.7 0.2 . 1 . . . . . . . . 5887 1 384 . 1 1 43 43 GLY N N 15 104.4 0.2 . 1 . . . . . . . . 5887 1 385 . 1 1 44 44 GLN H H 1 7.85 0.02 . 1 . . . . . . . . 5887 1 386 . 1 1 44 44 GLN HA H 1 4.64 0.02 . 1 . . . . . . . . 5887 1 387 . 1 1 44 44 GLN HB2 H 1 2.28 0.02 . 2 . . . . . . . . 5887 1 388 . 1 1 44 44 GLN HG2 H 1 2.44 0.02 . 2 . . . . . . . . 5887 1 389 . 1 1 44 44 GLN HE21 H 1 7.36 0.02 . 2 . . . . . . . . 5887 1 390 . 1 1 44 44 GLN CA C 13 52.5 0.2 . 1 . . . . . . . . 5887 1 391 . 1 1 44 44 GLN CB C 13 28.1 0.2 . 1 . . . . . . . . 5887 1 392 . 1 1 44 44 GLN CG C 13 31.6 0.2 . 1 . . . . . . . . 5887 1 393 . 1 1 44 44 GLN N N 15 121.2 0.2 . 1 . . . . . . . . 5887 1 394 . 1 1 44 44 GLN NE2 N 15 111.9 0.2 . 1 . . . . . . . . 5887 1 395 . 1 1 45 45 GLN H H 1 8.66 0.02 . 1 . . . . . . . . 5887 1 396 . 1 1 45 45 GLN HA H 1 5.31 0.02 . 1 . . . . . . . . 5887 1 397 . 1 1 45 45 GLN HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5887 1 398 . 1 1 45 45 GLN HG2 H 1 2.56 0.02 . 2 . . . . . . . . 5887 1 399 . 1 1 45 45 GLN HG3 H 1 2.35 0.02 . 2 . . . . . . . . 5887 1 400 . 1 1 45 45 GLN HE21 H 1 7.53 0.02 . 2 . . . . . . . . 5887 1 401 . 1 1 45 45 GLN HE22 H 1 6.32 0.02 . 2 . . . . . . . . 5887 1 402 . 1 1 45 45 GLN CA C 13 53.6 0.2 . 1 . . . . . . . . 5887 1 403 . 1 1 45 45 GLN CB C 13 28.9 0.2 . 1 . . . . . . . . 5887 1 404 . 1 1 45 45 GLN CG C 13 32.9 0.2 . 1 . . . . . . . . 5887 1 405 . 1 1 45 45 GLN N N 15 124.8 0.2 . 1 . . . . . . . . 5887 1 406 . 1 1 45 45 GLN NE2 N 15 109.6 0.2 . 1 . . . . . . . . 5887 1 407 . 1 1 46 46 PHE H H 1 9.77 0.02 . 1 . . . . . . . . 5887 1 408 . 1 1 46 46 PHE HA H 1 4.57 0.02 . 1 . . . . . . . . 5887 1 409 . 1 1 46 46 PHE HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5887 1 410 . 1 1 46 46 PHE HB3 H 1 2.65 0.02 . 2 . . . . . . . . 5887 1 411 . 1 1 46 46 PHE CA C 13 55.5 0.2 . 1 . . . . . . . . 5887 1 412 . 1 1 46 46 PHE CB C 13 39.4 0.2 . 1 . . . . . . . . 5887 1 413 . 1 1 46 46 PHE N N 15 123.8 0.2 . 1 . . . . . . . . 5887 1 414 . 1 1 47 47 GLN H H 1 8.85 0.02 . 1 . . . . . . . . 5887 1 415 . 1 1 47 47 GLN HA H 1 4.85 0.02 . 1 . . . . . . . . 5887 1 416 . 1 1 47 47 GLN HB2 H 1 2.09 0.02 . 2 . . . . . . . . 5887 1 417 . 1 1 47 47 GLN HG2 H 1 2.42 0.02 . 2 . . . . . . . . 5887 1 418 . 1 1 47 47 GLN CA C 13 53.4 0.2 . 1 . . . . . . . . 5887 1 419 . 1 1 47 47 GLN CB C 13 27.8 0.2 . 1 . . . . . . . . 5887 1 420 . 1 1 47 47 GLN CG C 13 31.8 0.2 . 1 . . . . . . . . 5887 1 421 . 1 1 47 47 GLN N N 15 122.5 0.2 . 1 . . . . . . . . 5887 1 422 . 1 1 48 48 GLY H H 1 8.71 0.02 . 1 . . . . . . . . 5887 1 423 . 1 1 48 48 GLY HA2 H 1 4.53 0.02 . 2 . . . . . . . . 5887 1 424 . 1 1 48 48 GLY HA3 H 1 4.32 0.02 . 2 . . . . . . . . 5887 1 425 . 1 1 48 48 GLY CA C 13 42.4 0.2 . 1 . . . . . . . . 5887 1 426 . 1 1 48 48 GLY N N 15 114.9 0.2 . 1 . . . . . . . . 5887 1 427 . 1 1 49 49 LYS H H 1 7.43 0.02 . 1 . . . . . . . . 5887 1 428 . 1 1 49 49 LYS HA H 1 3.57 0.02 . 1 . . . . . . . . 5887 1 429 . 1 1 49 49 LYS HB2 H 1 1.82 0.02 . 2 . . . . . . . . 5887 1 430 . 1 1 49 49 LYS CA C 13 58.7 0.2 . 1 . . . . . . . . 5887 1 431 . 1 1 49 49 LYS CB C 13 30.8 0.2 . 1 . . . . . . . . 5887 1 432 . 1 1 49 49 LYS N N 15 120.2 0.2 . 1 . . . . . . . . 5887 1 433 . 1 1 50 50 ALA H H 1 8.52 0.02 . 1 . . . . . . . . 5887 1 434 . 1 1 50 50 ALA HA H 1 4.03 0.02 . 1 . . . . . . . . 5887 1 435 . 1 1 50 50 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 5887 1 436 . 1 1 50 50 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 5887 1 437 . 1 1 50 50 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 5887 1 438 . 1 1 50 50 ALA CA C 13 53.4 0.2 . 1 . . . . . . . . 5887 1 439 . 1 1 50 50 ALA CB C 13 15.4 0.2 . 1 . . . . . . . . 5887 1 440 . 1 1 50 50 ALA N N 15 119.0 0.2 . 1 . . . . . . . . 5887 1 441 . 1 1 51 51 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 5887 1 442 . 1 1 51 51 ALA HA H 1 4.17 0.02 . 1 . . . . . . . . 5887 1 443 . 1 1 51 51 ALA HB1 H 1 1.61 0.02 . 1 . . . . . . . . 5887 1 444 . 1 1 51 51 ALA HB2 H 1 1.61 0.02 . 1 . . . . . . . . 5887 1 445 . 1 1 51 51 ALA HB3 H 1 1.61 0.02 . 1 . . . . . . . . 5887 1 446 . 1 1 51 51 ALA CA C 13 52.3 0.2 . 1 . . . . . . . . 5887 1 447 . 1 1 51 51 ALA CB C 13 16.6 0.2 . 1 . . . . . . . . 5887 1 448 . 1 1 51 51 ALA N N 15 120.7 0.2 . 1 . . . . . . . . 5887 1 449 . 1 1 52 52 ILE H H 1 8.01 0.02 . 1 . . . . . . . . 5887 1 450 . 1 1 52 52 ILE HA H 1 3.05 0.02 . 1 . . . . . . . . 5887 1 451 . 1 1 52 52 ILE HB H 1 1.51 0.02 . 1 . . . . . . . . 5887 1 452 . 1 1 52 52 ILE HG12 H 1 1.73 0.02 . 2 . . . . . . . . 5887 1 453 . 1 1 52 52 ILE HG13 H 1 1.53 0.02 . 2 . . . . . . . . 5887 1 454 . 1 1 52 52 ILE HG21 H 1 0.09 0.02 . 1 . . . . . . . . 5887 1 455 . 1 1 52 52 ILE HG22 H 1 0.09 0.02 . 1 . . . . . . . . 5887 1 456 . 1 1 52 52 ILE HG23 H 1 0.09 0.02 . 1 . . . . . . . . 5887 1 457 . 1 1 52 52 ILE HD11 H 1 0.17 0.02 . 1 . . . . . . . . 5887 1 458 . 1 1 52 52 ILE HD12 H 1 0.17 0.02 . 1 . . . . . . . . 5887 1 459 . 1 1 52 52 ILE HD13 H 1 0.17 0.02 . 1 . . . . . . . . 5887 1 460 . 1 1 52 52 ILE CA C 13 64.0 0.2 . 1 . . . . . . . . 5887 1 461 . 1 1 52 52 ILE CB C 13 36.0 0.2 . 1 . . . . . . . . 5887 1 462 . 1 1 52 52 ILE CG1 C 13 26.9 0.2 . 1 . . . . . . . . 5887 1 463 . 1 1 52 52 ILE CG2 C 13 13.9 0.2 . 1 . . . . . . . . 5887 1 464 . 1 1 52 52 ILE CD1 C 13 11.6 0.2 . 1 . . . . . . . . 5887 1 465 . 1 1 52 52 ILE N N 15 120.0 0.2 . 1 . . . . . . . . 5887 1 466 . 1 1 53 53 VAL H H 1 8.54 0.02 . 1 . . . . . . . . 5887 1 467 . 1 1 53 53 VAL HA H 1 3.30 0.02 . 1 . . . . . . . . 5887 1 468 . 1 1 53 53 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 5887 1 469 . 1 1 53 53 VAL HG11 H 1 0.84 0.02 . 2 . . . . . . . . 5887 1 470 . 1 1 53 53 VAL HG12 H 1 0.84 0.02 . 2 . . . . . . . . 5887 1 471 . 1 1 53 53 VAL HG13 H 1 0.84 0.02 . 2 . . . . . . . . 5887 1 472 . 1 1 53 53 VAL HG21 H 1 0.97 0.02 . 2 . . . . . . . . 5887 1 473 . 1 1 53 53 VAL HG22 H 1 0.97 0.02 . 2 . . . . . . . . 5887 1 474 . 1 1 53 53 VAL HG23 H 1 0.97 0.02 . 2 . . . . . . . . 5887 1 475 . 1 1 53 53 VAL CA C 13 64.7 0.2 . 1 . . . . . . . . 5887 1 476 . 1 1 53 53 VAL CB C 13 29.0 0.2 . 1 . . . . . . . . 5887 1 477 . 1 1 53 53 VAL CG1 C 13 19.5 0.2 . 2 . . . . . . . . 5887 1 478 . 1 1 53 53 VAL CG2 C 13 20.9 0.2 . 2 . . . . . . . . 5887 1 479 . 1 1 53 53 VAL N N 15 118.1 0.2 . 1 . . . . . . . . 5887 1 480 . 1 1 54 54 GLU H H 1 7.92 0.02 . 1 . . . . . . . . 5887 1 481 . 1 1 54 54 GLU HA H 1 3.90 0.02 . 1 . . . . . . . . 5887 1 482 . 1 1 54 54 GLU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5887 1 483 . 1 1 54 54 GLU HG2 H 1 2.12 0.02 . 2 . . . . . . . . 5887 1 484 . 1 1 54 54 GLU CA C 13 57.3 0.2 . 1 . . . . . . . . 5887 1 485 . 1 1 54 54 GLU CB C 13 27.0 0.2 . 1 . . . . . . . . 5887 1 486 . 1 1 54 54 GLU CG C 13 33.7 0.2 . 1 . . . . . . . . 5887 1 487 . 1 1 54 54 GLU N N 15 121.6 0.2 . 1 . . . . . . . . 5887 1 488 . 1 1 55 55 LYS H H 1 7.52 0.02 . 1 . . . . . . . . 5887 1 489 . 1 1 55 55 LYS HA H 1 3.73 0.02 . 1 . . . . . . . . 5887 1 490 . 1 1 55 55 LYS HG2 H 1 1.90 0.02 . 2 . . . . . . . . 5887 1 491 . 1 1 55 55 LYS HD2 H 1 1.51 0.02 . 2 . . . . . . . . 5887 1 492 . 1 1 55 55 LYS HD3 H 1 1.44 0.02 . 2 . . . . . . . . 5887 1 493 . 1 1 55 55 LYS CA C 13 55.3 0.2 . 1 . . . . . . . . 5887 1 494 . 1 1 55 55 LYS CB C 13 27.7 0.2 . 1 . . . . . . . . 5887 1 495 . 1 1 55 55 LYS N N 15 120.4 0.2 . 1 . . . . . . . . 5887 1 496 . 1 1 56 56 LEU H H 1 8.25 0.02 . 1 . . . . . . . . 5887 1 497 . 1 1 56 56 LEU HB2 H 1 1.54 0.02 . 2 . . . . . . . . 5887 1 498 . 1 1 56 56 LEU HB3 H 1 0.68 0.02 . 2 . . . . . . . . 5887 1 499 . 1 1 56 56 LEU HG H 1 1.67 0.02 . 1 . . . . . . . . 5887 1 500 . 1 1 56 56 LEU HD11 H 1 0.59 0.02 . 2 . . . . . . . . 5887 1 501 . 1 1 56 56 LEU HD12 H 1 0.59 0.02 . 2 . . . . . . . . 5887 1 502 . 1 1 56 56 LEU HD13 H 1 0.59 0.02 . 2 . . . . . . . . 5887 1 503 . 1 1 56 56 LEU HD21 H 1 0.37 0.02 . 2 . . . . . . . . 5887 1 504 . 1 1 56 56 LEU HD22 H 1 0.37 0.02 . 2 . . . . . . . . 5887 1 505 . 1 1 56 56 LEU HD23 H 1 0.37 0.02 . 2 . . . . . . . . 5887 1 506 . 1 1 56 56 LEU CA C 13 55.0 0.2 . 1 . . . . . . . . 5887 1 507 . 1 1 56 56 LEU CB C 13 39.1 0.2 . 1 . . . . . . . . 5887 1 508 . 1 1 56 56 LEU CG C 13 23.6 0.2 . 1 . . . . . . . . 5887 1 509 . 1 1 56 56 LEU CD1 C 13 24.6 0.2 . 2 . . . . . . . . 5887 1 510 . 1 1 56 56 LEU CD2 C 13 19.8 0.2 . 2 . . . . . . . . 5887 1 511 . 1 1 56 56 LEU N N 15 117.0 0.2 . 1 . . . . . . . . 5887 1 512 . 1 1 57 57 SER H H 1 8.29 0.02 . 1 . . . . . . . . 5887 1 513 . 1 1 57 57 SER HA H 1 3.91 0.02 . 1 . . . . . . . . 5887 1 514 . 1 1 57 57 SER HB2 H 1 3.72 0.02 . 2 . . . . . . . . 5887 1 515 . 1 1 57 57 SER CA C 13 59.2 0.2 . 1 . . . . . . . . 5887 1 516 . 1 1 57 57 SER CB C 13 60.9 0.2 . 1 . . . . . . . . 5887 1 517 . 1 1 57 57 SER N N 15 113.0 0.2 . 1 . . . . . . . . 5887 1 518 . 1 1 58 58 SER H H 1 7.44 0.02 . 1 . . . . . . . . 5887 1 519 . 1 1 58 58 SER HA H 1 4.33 0.02 . 1 . . . . . . . . 5887 1 520 . 1 1 58 58 SER HB2 H 1 3.90 0.02 . 2 . . . . . . . . 5887 1 521 . 1 1 58 58 SER CA C 13 56.3 0.2 . 1 . . . . . . . . 5887 1 522 . 1 1 58 58 SER CB C 13 62.0 0.2 . 1 . . . . . . . . 5887 1 523 . 1 1 58 58 SER N N 15 114.2 0.2 . 1 . . . . . . . . 5887 1 524 . 1 1 59 59 LEU H H 1 6.75 0.02 . 1 . . . . . . . . 5887 1 525 . 1 1 59 59 LEU HG H 1 1.53 0.02 . 1 . . . . . . . . 5887 1 526 . 1 1 59 59 LEU HD11 H 1 0.77 0.02 . 2 . . . . . . . . 5887 1 527 . 1 1 59 59 LEU HD12 H 1 0.77 0.02 . 2 . . . . . . . . 5887 1 528 . 1 1 59 59 LEU HD13 H 1 0.77 0.02 . 2 . . . . . . . . 5887 1 529 . 1 1 59 59 LEU HD21 H 1 0.32 0.02 . 2 . . . . . . . . 5887 1 530 . 1 1 59 59 LEU HD22 H 1 0.32 0.02 . 2 . . . . . . . . 5887 1 531 . 1 1 59 59 LEU HD23 H 1 0.32 0.02 . 2 . . . . . . . . 5887 1 532 . 1 1 59 59 LEU CA C 13 50.8 0.2 . 1 . . . . . . . . 5887 1 533 . 1 1 59 59 LEU CB C 13 38.8 0.2 . 1 . . . . . . . . 5887 1 534 . 1 1 59 59 LEU CG C 13 23.9 0.2 . 1 . . . . . . . . 5887 1 535 . 1 1 59 59 LEU CD1 C 13 24.3 0.2 . 2 . . . . . . . . 5887 1 536 . 1 1 59 59 LEU CD2 C 13 19.9 0.2 . 2 . . . . . . . . 5887 1 537 . 1 1 59 59 LEU N N 15 123.6 0.2 . 1 . . . . . . . . 5887 1 538 . 1 1 60 60 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 5887 1 539 . 1 1 60 60 PRO HB2 H 1 2.21 0.02 . 2 . . . . . . . . 5887 1 540 . 1 1 60 60 PRO HB3 H 1 1.92 0.02 . 2 . . . . . . . . 5887 1 541 . 1 1 60 60 PRO HD2 H 1 3.55 0.02 . 2 . . . . . . . . 5887 1 542 . 1 1 60 60 PRO HD3 H 1 3.11 0.02 . 2 . . . . . . . . 5887 1 543 . 1 1 60 60 PRO CA C 13 61.7 0.2 . 1 . . . . . . . . 5887 1 544 . 1 1 60 60 PRO CB C 13 27.7 0.2 . 1 . . . . . . . . 5887 1 545 . 1 1 60 60 PRO CD C 13 47.9 0.2 . 1 . . . . . . . . 5887 1 546 . 1 1 61 61 PHE H H 1 6.75 0.02 . 1 . . . . . . . . 5887 1 547 . 1 1 61 61 PHE HA H 1 5.16 0.02 . 1 . . . . . . . . 5887 1 548 . 1 1 61 61 PHE HB2 H 1 3.12 0.02 . 2 . . . . . . . . 5887 1 549 . 1 1 61 61 PHE HB3 H 1 2.72 0.02 . 2 . . . . . . . . 5887 1 550 . 1 1 61 61 PHE CA C 13 52.3 0.2 . 1 . . . . . . . . 5887 1 551 . 1 1 61 61 PHE CB C 13 38.2 0.2 . 1 . . . . . . . . 5887 1 552 . 1 1 61 61 PHE N N 15 117.3 0.2 . 1 . . . . . . . . 5887 1 553 . 1 1 62 62 GLN H H 1 10.54 0.02 . 1 . . . . . . . . 5887 1 554 . 1 1 62 62 GLN HA H 1 4.53 0.02 . 1 . . . . . . . . 5887 1 555 . 1 1 62 62 GLN HB2 H 1 2.28 0.02 . 2 . . . . . . . . 5887 1 556 . 1 1 62 62 GLN HG2 H 1 2.53 0.02 . 2 . . . . . . . . 5887 1 557 . 1 1 62 62 GLN HG3 H 1 2.37 0.02 . 2 . . . . . . . . 5887 1 558 . 1 1 62 62 GLN HE21 H 1 7.53 0.02 . 2 . . . . . . . . 5887 1 559 . 1 1 62 62 GLN CA C 13 55.3 0.2 . 1 . . . . . . . . 5887 1 560 . 1 1 62 62 GLN CB C 13 27.4 0.2 . 1 . . . . . . . . 5887 1 561 . 1 1 62 62 GLN CG C 13 31.6 0.2 . 1 . . . . . . . . 5887 1 562 . 1 1 62 62 GLN N N 15 124.0 0.2 . 1 . . . . . . . . 5887 1 563 . 1 1 62 62 GLN NE2 N 15 112.4 0.2 . 1 . . . . . . . . 5887 1 564 . 1 1 63 63 LYS H H 1 9.32 0.02 . 1 . . . . . . . . 5887 1 565 . 1 1 63 63 LYS HA H 1 4.75 0.02 . 1 . . . . . . . . 5887 1 566 . 1 1 63 63 LYS HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5887 1 567 . 1 1 63 63 LYS HG2 H 1 1.47 0.02 . 2 . . . . . . . . 5887 1 568 . 1 1 63 63 LYS CA C 13 52.8 0.2 . 1 . . . . . . . . 5887 1 569 . 1 1 63 63 LYS CB C 13 32.8 0.2 . 1 . . . . . . . . 5887 1 570 . 1 1 63 63 LYS CG C 13 22.4 0.2 . 1 . . . . . . . . 5887 1 571 . 1 1 63 63 LYS N N 15 122.8 0.2 . 1 . . . . . . . . 5887 1 572 . 1 1 64 64 ILE H H 1 8.94 0.02 . 1 . . . . . . . . 5887 1 573 . 1 1 64 64 ILE HA H 1 4.86 0.02 . 1 . . . . . . . . 5887 1 574 . 1 1 64 64 ILE HB H 1 1.33 0.02 . 1 . . . . . . . . 5887 1 575 . 1 1 64 64 ILE HG12 H 1 1.03 0.02 . 2 . . . . . . . . 5887 1 576 . 1 1 64 64 ILE HG21 H 1 0.94 0.02 . 1 . . . . . . . . 5887 1 577 . 1 1 64 64 ILE HG22 H 1 0.94 0.02 . 1 . . . . . . . . 5887 1 578 . 1 1 64 64 ILE HG23 H 1 0.94 0.02 . 1 . . . . . . . . 5887 1 579 . 1 1 64 64 ILE HD11 H 1 0.32 0.02 . 1 . . . . . . . . 5887 1 580 . 1 1 64 64 ILE HD12 H 1 0.32 0.02 . 1 . . . . . . . . 5887 1 581 . 1 1 64 64 ILE HD13 H 1 0.32 0.02 . 1 . . . . . . . . 5887 1 582 . 1 1 64 64 ILE CA C 13 57.2 0.2 . 1 . . . . . . . . 5887 1 583 . 1 1 64 64 ILE CB C 13 38.8 0.2 . 1 . . . . . . . . 5887 1 584 . 1 1 64 64 ILE CG1 C 13 26.2 0.2 . 1 . . . . . . . . 5887 1 585 . 1 1 64 64 ILE CG2 C 13 14.5 0.2 . 1 . . . . . . . . 5887 1 586 . 1 1 64 64 ILE CD1 C 13 12.4 0.2 . 1 . . . . . . . . 5887 1 587 . 1 1 64 64 ILE N N 15 122.5 0.2 . 1 . . . . . . . . 5887 1 588 . 1 1 65 65 GLN H H 1 7.90 0.02 . 1 . . . . . . . . 5887 1 589 . 1 1 65 65 GLN HA H 1 4.66 0.02 . 1 . . . . . . . . 5887 1 590 . 1 1 65 65 GLN HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5887 1 591 . 1 1 65 65 GLN HG2 H 1 2.46 0.02 . 2 . . . . . . . . 5887 1 592 . 1 1 65 65 GLN HG3 H 1 2.33 0.02 . 2 . . . . . . . . 5887 1 593 . 1 1 65 65 GLN CA C 13 51.9 0.2 . 1 . . . . . . . . 5887 1 594 . 1 1 65 65 GLN CB C 13 30.4 0.2 . 1 . . . . . . . . 5887 1 595 . 1 1 65 65 GLN CG C 13 28.6 0.2 . 1 . . . . . . . . 5887 1 596 . 1 1 65 65 GLN N N 15 122.4 0.2 . 1 . . . . . . . . 5887 1 597 . 1 1 66 66 HIS H H 1 9.84 0.02 . 1 . . . . . . . . 5887 1 598 . 1 1 66 66 HIS HA H 1 4.96 0.02 . 1 . . . . . . . . 5887 1 599 . 1 1 66 66 HIS HB2 H 1 2.84 0.02 . 2 . . . . . . . . 5887 1 600 . 1 1 66 66 HIS HB3 H 1 2.38 0.02 . 2 . . . . . . . . 5887 1 601 . 1 1 66 66 HIS HD2 H 1 5.90 0.02 . 1 . . . . . . . . 5887 1 602 . 1 1 66 66 HIS HE1 H 1 6.87 0.02 . 1 . . . . . . . . 5887 1 603 . 1 1 66 66 HIS CA C 13 54.5 0.2 . 1 . . . . . . . . 5887 1 604 . 1 1 66 66 HIS CB C 13 29.0 0.2 . 1 . . . . . . . . 5887 1 605 . 1 1 66 66 HIS CD2 C 13 117.3 0.2 . 1 . . . . . . . . 5887 1 606 . 1 1 66 66 HIS CE1 C 13 133.5 0.2 . 1 . . . . . . . . 5887 1 607 . 1 1 66 66 HIS N N 15 124.0 0.2 . 1 . . . . . . . . 5887 1 608 . 1 1 67 67 SER H H 1 9.31 0.02 . 1 . . . . . . . . 5887 1 609 . 1 1 67 67 SER HA H 1 4.75 0.02 . 1 . . . . . . . . 5887 1 610 . 1 1 67 67 SER HB2 H 1 3.71 0.02 . 2 . . . . . . . . 5887 1 611 . 1 1 67 67 SER CA C 13 54.9 0.2 . 1 . . . . . . . . 5887 1 612 . 1 1 67 67 SER CB C 13 62.3 0.2 . 1 . . . . . . . . 5887 1 613 . 1 1 67 67 SER N N 15 117.4 0.2 . 1 . . . . . . . . 5887 1 614 . 1 1 68 68 ILE H H 1 8.98 0.02 . 1 . . . . . . . . 5887 1 615 . 1 1 68 68 ILE HA H 1 3.99 0.02 . 1 . . . . . . . . 5887 1 616 . 1 1 68 68 ILE HB H 1 1.91 0.02 . 1 . . . . . . . . 5887 1 617 . 1 1 68 68 ILE HG12 H 1 1.24 0.02 . 2 . . . . . . . . 5887 1 618 . 1 1 68 68 ILE HG13 H 1 1.15 0.02 . 2 . . . . . . . . 5887 1 619 . 1 1 68 68 ILE HG21 H 1 0.82 0.02 . 1 . . . . . . . . 5887 1 620 . 1 1 68 68 ILE HG22 H 1 0.82 0.02 . 1 . . . . . . . . 5887 1 621 . 1 1 68 68 ILE HG23 H 1 0.82 0.02 . 1 . . . . . . . . 5887 1 622 . 1 1 68 68 ILE HD11 H 1 0.54 0.02 . 1 . . . . . . . . 5887 1 623 . 1 1 68 68 ILE HD12 H 1 0.54 0.02 . 1 . . . . . . . . 5887 1 624 . 1 1 68 68 ILE HD13 H 1 0.54 0.02 . 1 . . . . . . . . 5887 1 625 . 1 1 68 68 ILE CA C 13 59.1 0.2 . 1 . . . . . . . . 5887 1 626 . 1 1 68 68 ILE CB C 13 35.3 0.2 . 1 . . . . . . . . 5887 1 627 . 1 1 68 68 ILE CG1 C 13 22.8 0.2 . 1 . . . . . . . . 5887 1 628 . 1 1 68 68 ILE CG2 C 13 16.2 0.2 . 1 . . . . . . . . 5887 1 629 . 1 1 68 68 ILE CD1 C 13 9.9 0.2 . 1 . . . . . . . . 5887 1 630 . 1 1 68 68 ILE N N 15 126.5 0.2 . 1 . . . . . . . . 5887 1 631 . 1 1 69 69 THR H H 1 9.15 0.02 . 1 . . . . . . . . 5887 1 632 . 1 1 69 69 THR HA H 1 3.92 0.02 . 1 . . . . . . . . 5887 1 633 . 1 1 69 69 THR HB H 1 4.22 0.02 . 1 . . . . . . . . 5887 1 634 . 1 1 69 69 THR HG21 H 1 1.25 0.02 . 1 . . . . . . . . 5887 1 635 . 1 1 69 69 THR HG22 H 1 1.25 0.02 . 1 . . . . . . . . 5887 1 636 . 1 1 69 69 THR HG23 H 1 1.25 0.02 . 1 . . . . . . . . 5887 1 637 . 1 1 69 69 THR CA C 13 61.9 0.2 . 1 . . . . . . . . 5887 1 638 . 1 1 69 69 THR CB C 13 66.2 0.2 . 1 . . . . . . . . 5887 1 639 . 1 1 69 69 THR CG2 C 13 19.1 0.2 . 1 . . . . . . . . 5887 1 640 . 1 1 69 69 THR N N 15 125.4 0.2 . 1 . . . . . . . . 5887 1 641 . 1 1 70 70 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 5887 1 642 . 1 1 70 70 ALA HA H 1 4.55 0.02 . 1 . . . . . . . . 5887 1 643 . 1 1 70 70 ALA HB1 H 1 1.15 0.02 . 1 . . . . . . . . 5887 1 644 . 1 1 70 70 ALA HB2 H 1 1.15 0.02 . 1 . . . . . . . . 5887 1 645 . 1 1 70 70 ALA HB3 H 1 1.15 0.02 . 1 . . . . . . . . 5887 1 646 . 1 1 70 70 ALA CA C 13 49.7 0.2 . 1 . . . . . . . . 5887 1 647 . 1 1 70 70 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 5887 1 648 . 1 1 70 70 ALA N N 15 122.6 0.2 . 1 . . . . . . . . 5887 1 649 . 1 1 71 71 GLN H H 1 8.28 0.02 . 1 . . . . . . . . 5887 1 650 . 1 1 71 71 GLN HA H 1 5.39 0.02 . 1 . . . . . . . . 5887 1 651 . 1 1 71 71 GLN HB2 H 1 2.58 0.02 . 2 . . . . . . . . 5887 1 652 . 1 1 71 71 GLN HE21 H 1 8.68 0.02 . 2 . . . . . . . . 5887 1 653 . 1 1 71 71 GLN HE22 H 1 6.75 0.02 . 2 . . . . . . . . 5887 1 654 . 1 1 71 71 GLN CA C 13 50.9 0.2 . 1 . . . . . . . . 5887 1 655 . 1 1 71 71 GLN CB C 13 30.5 0.2 . 1 . . . . . . . . 5887 1 656 . 1 1 71 71 GLN N N 15 114.1 0.2 . 1 . . . . . . . . 5887 1 657 . 1 1 71 71 GLN NE2 N 15 113.6 0.2 . 1 . . . . . . . . 5887 1 658 . 1 1 72 72 ASP H H 1 8.56 0.02 . 1 . . . . . . . . 5887 1 659 . 1 1 72 72 ASP HA H 1 5.07 0.02 . 1 . . . . . . . . 5887 1 660 . 1 1 72 72 ASP HB2 H 1 2.58 0.02 . 2 . . . . . . . . 5887 1 661 . 1 1 72 72 ASP CA C 13 51.1 0.2 . 1 . . . . . . . . 5887 1 662 . 1 1 72 72 ASP CB C 13 45.0 0.2 . 1 . . . . . . . . 5887 1 663 . 1 1 72 72 ASP N N 15 121.1 0.2 . 1 . . . . . . . . 5887 1 664 . 1 1 73 73 HIS H H 1 8.44 0.02 . 1 . . . . . . . . 5887 1 665 . 1 1 73 73 HIS HA H 1 5.95 0.02 . 1 . . . . . . . . 5887 1 666 . 1 1 73 73 HIS HB2 H 1 2.96 0.02 . 2 . . . . . . . . 5887 1 667 . 1 1 73 73 HIS HB3 H 1 2.76 0.02 . 2 . . . . . . . . 5887 1 668 . 1 1 73 73 HIS HD2 H 1 7.15 0.02 . 1 . . . . . . . . 5887 1 669 . 1 1 73 73 HIS HE1 H 1 7.39 0.02 . 1 . . . . . . . . 5887 1 670 . 1 1 73 73 HIS CA C 13 52.6 0.2 . 1 . . . . . . . . 5887 1 671 . 1 1 73 73 HIS CB C 13 33.7 0.2 . 1 . . . . . . . . 5887 1 672 . 1 1 73 73 HIS CD2 C 13 116.4 0.2 . 1 . . . . . . . . 5887 1 673 . 1 1 73 73 HIS CE1 C 13 135.1 0.2 . 1 . . . . . . . . 5887 1 674 . 1 1 73 73 HIS N N 15 117.6 0.2 . 1 . . . . . . . . 5887 1 675 . 1 1 74 74 GLN H H 1 9.44 0.02 . 1 . . . . . . . . 5887 1 676 . 1 1 74 74 GLN HA H 1 4.42 0.02 . 1 . . . . . . . . 5887 1 677 . 1 1 74 74 GLN CA C 13 50.5 0.2 . 1 . . . . . . . . 5887 1 678 . 1 1 74 74 GLN CB C 13 31.1 0.2 . 1 . . . . . . . . 5887 1 679 . 1 1 74 74 GLN N N 15 120.8 0.2 . 1 . . . . . . . . 5887 1 680 . 1 1 75 75 PRO HA H 1 5.17 0.02 . 1 . . . . . . . . 5887 1 681 . 1 1 75 75 PRO HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5887 1 682 . 1 1 75 75 PRO HB3 H 1 1.53 0.02 . 2 . . . . . . . . 5887 1 683 . 1 1 75 75 PRO HD2 H 1 2.95 0.02 . 2 . . . . . . . . 5887 1 684 . 1 1 75 75 PRO HD3 H 1 1.38 0.02 . 2 . . . . . . . . 5887 1 685 . 1 1 75 75 PRO CA C 13 59.2 0.2 . 1 . . . . . . . . 5887 1 686 . 1 1 75 75 PRO CB C 13 29.5 0.2 . 1 . . . . . . . . 5887 1 687 . 1 1 75 75 PRO CD C 13 45.8 0.2 . 1 . . . . . . . . 5887 1 688 . 1 1 76 76 THR H H 1 8.11 0.02 . 1 . . . . . . . . 5887 1 689 . 1 1 76 76 THR HA H 1 5.16 0.02 . 1 . . . . . . . . 5887 1 690 . 1 1 76 76 THR HB H 1 4.53 0.02 . 1 . . . . . . . . 5887 1 691 . 1 1 76 76 THR HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5887 1 692 . 1 1 76 76 THR HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5887 1 693 . 1 1 76 76 THR HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5887 1 694 . 1 1 76 76 THR CA C 13 56.4 0.2 . 1 . . . . . . . . 5887 1 695 . 1 1 76 76 THR CB C 13 66.0 0.2 . 1 . . . . . . . . 5887 1 696 . 1 1 76 76 THR CG2 C 13 19.8 0.2 . 1 . . . . . . . . 5887 1 697 . 1 1 76 76 THR N N 15 111.0 0.2 . 1 . . . . . . . . 5887 1 698 . 1 1 77 77 PRO HA H 1 4.50 0.02 . 1 . . . . . . . . 5887 1 699 . 1 1 77 77 PRO HB2 H 1 2.53 0.02 . 2 . . . . . . . . 5887 1 700 . 1 1 77 77 PRO HB3 H 1 1.85 0.02 . 2 . . . . . . . . 5887 1 701 . 1 1 77 77 PRO HG2 H 1 1.93 0.02 . 2 . . . . . . . . 5887 1 702 . 1 1 77 77 PRO HD2 H 1 4.26 0.02 . 2 . . . . . . . . 5887 1 703 . 1 1 77 77 PRO HD3 H 1 3.79 0.02 . 2 . . . . . . . . 5887 1 704 . 1 1 77 77 PRO CA C 13 62.4 0.2 . 1 . . . . . . . . 5887 1 705 . 1 1 77 77 PRO CB C 13 29.7 0.2 . 1 . . . . . . . . 5887 1 706 . 1 1 77 77 PRO CG C 13 25.6 0.2 . 1 . . . . . . . . 5887 1 707 . 1 1 77 77 PRO CD C 13 48.8 0.2 . 1 . . . . . . . . 5887 1 708 . 1 1 78 78 ASP H H 1 7.42 0.02 . 1 . . . . . . . . 5887 1 709 . 1 1 78 78 ASP HA H 1 4.95 0.02 . 1 . . . . . . . . 5887 1 710 . 1 1 78 78 ASP HB2 H 1 2.85 0.02 . 2 . . . . . . . . 5887 1 711 . 1 1 78 78 ASP HB3 H 1 2.44 0.02 . 2 . . . . . . . . 5887 1 712 . 1 1 78 78 ASP CA C 13 51.5 0.2 . 1 . . . . . . . . 5887 1 713 . 1 1 78 78 ASP CB C 13 38.2 0.2 . 1 . . . . . . . . 5887 1 714 . 1 1 78 78 ASP N N 15 113.3 0.2 . 1 . . . . . . . . 5887 1 715 . 1 1 79 79 SER H H 1 8.08 0.02 . 1 . . . . . . . . 5887 1 716 . 1 1 79 79 SER HA H 1 4.37 0.02 . 1 . . . . . . . . 5887 1 717 . 1 1 79 79 SER HB2 H 1 3.62 0.02 . 2 . . . . . . . . 5887 1 718 . 1 1 79 79 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 5887 1 719 . 1 1 79 79 SER CB C 13 61.8 0.2 . 1 . . . . . . . . 5887 1 720 . 1 1 79 79 SER N N 15 108.8 0.2 . 1 . . . . . . . . 5887 1 721 . 1 1 80 80 CYS H H 1 7.34 0.02 . 1 . . . . . . . . 5887 1 722 . 1 1 80 80 CYS HA H 1 5.34 0.02 . 1 . . . . . . . . 5887 1 723 . 1 1 80 80 CYS HB2 H 1 3.40 0.02 . 2 . . . . . . . . 5887 1 724 . 1 1 80 80 CYS HB3 H 1 3.04 0.02 . 2 . . . . . . . . 5887 1 725 . 1 1 80 80 CYS CA C 13 56.0 0.2 . 1 . . . . . . . . 5887 1 726 . 1 1 80 80 CYS CB C 13 27.2 0.2 . 1 . . . . . . . . 5887 1 727 . 1 1 80 80 CYS N N 15 114.9 0.2 . 1 . . . . . . . . 5887 1 728 . 1 1 81 81 ILE H H 1 8.78 0.02 . 1 . . . . . . . . 5887 1 729 . 1 1 81 81 ILE HA H 1 4.82 0.02 . 1 . . . . . . . . 5887 1 730 . 1 1 81 81 ILE HG12 H 1 1.39 0.02 . 2 . . . . . . . . 5887 1 731 . 1 1 81 81 ILE HG13 H 1 0.83 0.02 . 2 . . . . . . . . 5887 1 732 . 1 1 81 81 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 5887 1 733 . 1 1 81 81 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 5887 1 734 . 1 1 81 81 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 5887 1 735 . 1 1 81 81 ILE HD11 H 1 0.93 0.02 . 1 . . . . . . . . 5887 1 736 . 1 1 81 81 ILE HD12 H 1 0.93 0.02 . 1 . . . . . . . . 5887 1 737 . 1 1 81 81 ILE HD13 H 1 0.93 0.02 . 1 . . . . . . . . 5887 1 738 . 1 1 81 81 ILE CA C 13 59.0 0.2 . 1 . . . . . . . . 5887 1 739 . 1 1 81 81 ILE CB C 13 40.1 0.2 . 1 . . . . . . . . 5887 1 740 . 1 1 81 81 ILE CG1 C 13 26.0 0.2 . 1 . . . . . . . . 5887 1 741 . 1 1 81 81 ILE CG2 C 13 13.7 0.2 . 1 . . . . . . . . 5887 1 742 . 1 1 81 81 ILE CD1 C 13 11.6 0.2 . 1 . . . . . . . . 5887 1 743 . 1 1 81 81 ILE N N 15 123.0 0.2 . 1 . . . . . . . . 5887 1 744 . 1 1 82 82 ILE H H 1 9.31 0.02 . 1 . . . . . . . . 5887 1 745 . 1 1 82 82 ILE HB H 1 1.44 0.02 . 1 . . . . . . . . 5887 1 746 . 1 1 82 82 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 5887 1 747 . 1 1 82 82 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 5887 1 748 . 1 1 82 82 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 5887 1 749 . 1 1 82 82 ILE HD11 H 1 1.05 0.02 . 1 . . . . . . . . 5887 1 750 . 1 1 82 82 ILE HD12 H 1 1.05 0.02 . 1 . . . . . . . . 5887 1 751 . 1 1 82 82 ILE HD13 H 1 1.05 0.02 . 1 . . . . . . . . 5887 1 752 . 1 1 82 82 ILE CA C 13 56.9 0.2 . 1 . . . . . . . . 5887 1 753 . 1 1 82 82 ILE CB C 13 39.6 0.2 . 1 . . . . . . . . 5887 1 754 . 1 1 82 82 ILE CG2 C 13 14.1 0.2 . 1 . . . . . . . . 5887 1 755 . 1 1 82 82 ILE CD1 C 13 10.5 0.2 . 1 . . . . . . . . 5887 1 756 . 1 1 82 82 ILE N N 15 126.7 0.2 . 1 . . . . . . . . 5887 1 757 . 1 1 83 83 SER H H 1 9.09 0.02 . 1 . . . . . . . . 5887 1 758 . 1 1 83 83 SER HA H 1 5.52 0.02 . 1 . . . . . . . . 5887 1 759 . 1 1 83 83 SER HB2 H 1 3.85 0.02 . 2 . . . . . . . . 5887 1 760 . 1 1 83 83 SER HB3 H 1 3.67 0.02 . 2 . . . . . . . . 5887 1 761 . 1 1 83 83 SER CA C 13 56.1 0.2 . 1 . . . . . . . . 5887 1 762 . 1 1 83 83 SER CB C 13 64.7 0.2 . 1 . . . . . . . . 5887 1 763 . 1 1 83 83 SER N N 15 122.5 0.2 . 1 . . . . . . . . 5887 1 764 . 1 1 84 84 MET H H 1 9.05 0.02 . 1 . . . . . . . . 5887 1 765 . 1 1 84 84 MET HA H 1 5.17 0.02 . 1 . . . . . . . . 5887 1 766 . 1 1 84 84 MET HE1 H 1 2.13 0.02 . 1 . . . . . . . . 5887 1 767 . 1 1 84 84 MET HE2 H 1 2.13 0.02 . 1 . . . . . . . . 5887 1 768 . 1 1 84 84 MET HE3 H 1 2.13 0.02 . 1 . . . . . . . . 5887 1 769 . 1 1 84 84 MET CA C 13 52.6 0.2 . 1 . . . . . . . . 5887 1 770 . 1 1 84 84 MET CB C 13 35.7 0.2 . 1 . . . . . . . . 5887 1 771 . 1 1 84 84 MET CE C 13 14.4 0.2 . 1 . . . . . . . . 5887 1 772 . 1 1 84 84 MET N N 15 123.0 0.2 . 1 . . . . . . . . 5887 1 773 . 1 1 85 85 VAL H H 1 9.66 0.02 . 1 . . . . . . . . 5887 1 774 . 1 1 85 85 VAL HA H 1 4.87 0.02 . 1 . . . . . . . . 5887 1 775 . 1 1 85 85 VAL HB H 1 2.21 0.02 . 1 . . . . . . . . 5887 1 776 . 1 1 85 85 VAL HG11 H 1 1.09 0.02 . 2 . . . . . . . . 5887 1 777 . 1 1 85 85 VAL HG12 H 1 1.09 0.02 . 2 . . . . . . . . 5887 1 778 . 1 1 85 85 VAL HG13 H 1 1.09 0.02 . 2 . . . . . . . . 5887 1 779 . 1 1 85 85 VAL HG21 H 1 1.21 0.02 . 2 . . . . . . . . 5887 1 780 . 1 1 85 85 VAL HG22 H 1 1.21 0.02 . 2 . . . . . . . . 5887 1 781 . 1 1 85 85 VAL HG23 H 1 1.21 0.02 . 2 . . . . . . . . 5887 1 782 . 1 1 85 85 VAL CA C 13 58.2 0.2 . 1 . . . . . . . . 5887 1 783 . 1 1 85 85 VAL CB C 13 33.6 0.2 . 1 . . . . . . . . 5887 1 784 . 1 1 85 85 VAL CG1 C 13 20.5 0.2 . 2 . . . . . . . . 5887 1 785 . 1 1 85 85 VAL CG2 C 13 19.8 0.2 . 2 . . . . . . . . 5887 1 786 . 1 1 85 85 VAL N N 15 125.7 0.2 . 1 . . . . . . . . 5887 1 787 . 1 1 86 86 VAL H H 1 8.23 0.02 . 1 . . . . . . . . 5887 1 788 . 1 1 86 86 VAL HA H 1 4.37 0.02 . 1 . . . . . . . . 5887 1 789 . 1 1 86 86 VAL HB H 1 1.72 0.02 . 1 . . . . . . . . 5887 1 790 . 1 1 86 86 VAL HG11 H 1 0.58 0.02 . 2 . . . . . . . . 5887 1 791 . 1 1 86 86 VAL HG12 H 1 0.58 0.02 . 2 . . . . . . . . 5887 1 792 . 1 1 86 86 VAL HG13 H 1 0.58 0.02 . 2 . . . . . . . . 5887 1 793 . 1 1 86 86 VAL HG21 H 1 0.51 0.02 . 2 . . . . . . . . 5887 1 794 . 1 1 86 86 VAL HG22 H 1 0.51 0.02 . 2 . . . . . . . . 5887 1 795 . 1 1 86 86 VAL HG23 H 1 0.51 0.02 . 2 . . . . . . . . 5887 1 796 . 1 1 86 86 VAL CA C 13 57.2 0.2 . 1 . . . . . . . . 5887 1 797 . 1 1 86 86 VAL CB C 13 31.9 0.2 . 1 . . . . . . . . 5887 1 798 . 1 1 86 86 VAL CG1 C 13 18.8 0.2 . 2 . . . . . . . . 5887 1 799 . 1 1 86 86 VAL CG2 C 13 18.5 0.2 . 2 . . . . . . . . 5887 1 800 . 1 1 86 86 VAL N N 15 121.5 0.2 . 1 . . . . . . . . 5887 1 801 . 1 1 87 87 GLY H H 1 7.19 0.02 . 1 . . . . . . . . 5887 1 802 . 1 1 87 87 GLY HA2 H 1 4.45 0.02 . 2 . . . . . . . . 5887 1 803 . 1 1 87 87 GLY HA3 H 1 3.94 0.02 . 2 . . . . . . . . 5887 1 804 . 1 1 87 87 GLY CA C 13 44.0 0.2 . 1 . . . . . . . . 5887 1 805 . 1 1 87 87 GLY N N 15 111.3 0.2 . 1 . . . . . . . . 5887 1 806 . 1 1 88 88 GLN H H 1 8.97 0.02 . 1 . . . . . . . . 5887 1 807 . 1 1 88 88 GLN HA H 1 5.42 0.02 . 1 . . . . . . . . 5887 1 808 . 1 1 88 88 GLN HB2 H 1 1.77 0.02 . 2 . . . . . . . . 5887 1 809 . 1 1 88 88 GLN HE21 H 1 7.46 0.02 . 2 . . . . . . . . 5887 1 810 . 1 1 88 88 GLN HE22 H 1 6.84 0.02 . 2 . . . . . . . . 5887 1 811 . 1 1 88 88 GLN CA C 13 51.8 0.2 . 1 . . . . . . . . 5887 1 812 . 1 1 88 88 GLN CB C 13 30.8 0.2 . 1 . . . . . . . . 5887 1 813 . 1 1 88 88 GLN N N 15 118.2 0.2 . 1 . . . . . . . . 5887 1 814 . 1 1 88 88 GLN NE2 N 15 111.0 0.2 . 1 . . . . . . . . 5887 1 815 . 1 1 89 89 LEU H H 1 9.76 0.02 . 1 . . . . . . . . 5887 1 816 . 1 1 89 89 LEU HA H 1 5.02 0.02 . 1 . . . . . . . . 5887 1 817 . 1 1 89 89 LEU HB2 H 1 1.30 0.02 . 2 . . . . . . . . 5887 1 818 . 1 1 89 89 LEU HB3 H 1 0.81 0.02 . 2 . . . . . . . . 5887 1 819 . 1 1 89 89 LEU HG H 1 1.29 0.02 . 1 . . . . . . . . 5887 1 820 . 1 1 89 89 LEU HD11 H 1 0.44 0.02 . 2 . . . . . . . . 5887 1 821 . 1 1 89 89 LEU HD12 H 1 0.44 0.02 . 2 . . . . . . . . 5887 1 822 . 1 1 89 89 LEU HD13 H 1 0.44 0.02 . 2 . . . . . . . . 5887 1 823 . 1 1 89 89 LEU HD21 H 1 0.34 0.02 . 2 . . . . . . . . 5887 1 824 . 1 1 89 89 LEU HD22 H 1 0.34 0.02 . 2 . . . . . . . . 5887 1 825 . 1 1 89 89 LEU HD23 H 1 0.34 0.02 . 2 . . . . . . . . 5887 1 826 . 1 1 89 89 LEU CA C 13 51.3 0.2 . 1 . . . . . . . . 5887 1 827 . 1 1 89 89 LEU CB C 13 43.2 0.2 . 1 . . . . . . . . 5887 1 828 . 1 1 89 89 LEU CG C 13 23.9 0.2 . 1 . . . . . . . . 5887 1 829 . 1 1 89 89 LEU CD1 C 13 23.9 0.2 . 2 . . . . . . . . 5887 1 830 . 1 1 89 89 LEU CD2 C 13 21.9 0.2 . 2 . . . . . . . . 5887 1 831 . 1 1 89 89 LEU N N 15 121.9 0.2 . 1 . . . . . . . . 5887 1 832 . 1 1 90 90 LYS H H 1 8.20 0.02 . 1 . . . . . . . . 5887 1 833 . 1 1 90 90 LYS HA H 1 4.55 0.02 . 1 . . . . . . . . 5887 1 834 . 1 1 90 90 LYS HB2 H 1 1.78 0.02 . 2 . . . . . . . . 5887 1 835 . 1 1 90 90 LYS HB3 H 1 1.48 0.02 . 2 . . . . . . . . 5887 1 836 . 1 1 90 90 LYS CA C 13 52.5 0.2 . 1 . . . . . . . . 5887 1 837 . 1 1 90 90 LYS CB C 13 33.1 0.2 . 1 . . . . . . . . 5887 1 838 . 1 1 90 90 LYS N N 15 124.2 0.2 . 1 . . . . . . . . 5887 1 839 . 1 1 91 91 ALA H H 1 9.04 0.02 . 1 . . . . . . . . 5887 1 840 . 1 1 91 91 ALA HA H 1 4.94 0.02 . 1 . . . . . . . . 5887 1 841 . 1 1 91 91 ALA HB1 H 1 0.78 0.02 . 1 . . . . . . . . 5887 1 842 . 1 1 91 91 ALA HB2 H 1 0.78 0.02 . 1 . . . . . . . . 5887 1 843 . 1 1 91 91 ALA HB3 H 1 0.78 0.02 . 1 . . . . . . . . 5887 1 844 . 1 1 91 91 ALA CA C 13 47.5 0.2 . 1 . . . . . . . . 5887 1 845 . 1 1 91 91 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 5887 1 846 . 1 1 91 91 ALA N N 15 134.4 0.2 . 1 . . . . . . . . 5887 1 847 . 1 1 92 92 ASP H H 1 8.99 0.02 . 1 . . . . . . . . 5887 1 848 . 1 1 92 92 ASP HA H 1 4.24 0.02 . 1 . . . . . . . . 5887 1 849 . 1 1 92 92 ASP HB2 H 1 2.30 0.02 . 2 . . . . . . . . 5887 1 850 . 1 1 92 92 ASP CA C 13 54.6 0.2 . 1 . . . . . . . . 5887 1 851 . 1 1 92 92 ASP CB C 13 38.0 0.2 . 1 . . . . . . . . 5887 1 852 . 1 1 92 92 ASP N N 15 120.2 0.2 . 1 . . . . . . . . 5887 1 853 . 1 1 93 93 GLU H H 1 8.23 0.02 . 1 . . . . . . . . 5887 1 854 . 1 1 93 93 GLU HA H 1 4.63 0.02 . 1 . . . . . . . . 5887 1 855 . 1 1 93 93 GLU HB2 H 1 2.41 0.02 . 2 . . . . . . . . 5887 1 856 . 1 1 93 93 GLU HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5887 1 857 . 1 1 93 93 GLU CA C 13 52.7 0.2 . 1 . . . . . . . . 5887 1 858 . 1 1 93 93 GLU CB C 13 26.7 0.2 . 1 . . . . . . . . 5887 1 859 . 1 1 93 93 GLU N N 15 121.5 0.2 . 1 . . . . . . . . 5887 1 860 . 1 1 94 94 ASP H H 1 8.50 0.02 . 1 . . . . . . . . 5887 1 861 . 1 1 94 94 ASP HA H 1 4.80 0.02 . 1 . . . . . . . . 5887 1 862 . 1 1 94 94 ASP HB2 H 1 3.14 0.02 . 2 . . . . . . . . 5887 1 863 . 1 1 94 94 ASP HB3 H 1 2.75 0.02 . 2 . . . . . . . . 5887 1 864 . 1 1 94 94 ASP CA C 13 51.6 0.2 . 1 . . . . . . . . 5887 1 865 . 1 1 94 94 ASP CB C 13 41.0 0.2 . 1 . . . . . . . . 5887 1 866 . 1 1 94 94 ASP N N 15 123.8 0.2 . 1 . . . . . . . . 5887 1 867 . 1 1 95 95 PRO HB2 H 1 2.36 0.02 . 2 . . . . . . . . 5887 1 868 . 1 1 95 95 PRO HB3 H 1 1.82 0.02 . 2 . . . . . . . . 5887 1 869 . 1 1 95 95 PRO HG2 H 1 2.07 0.02 . 2 . . . . . . . . 5887 1 870 . 1 1 95 95 PRO HG3 H 1 2.02 0.02 . 2 . . . . . . . . 5887 1 871 . 1 1 95 95 PRO HD2 H 1 3.86 0.02 . 2 . . . . . . . . 5887 1 872 . 1 1 95 95 PRO HD3 H 1 3.60 0.02 . 2 . . . . . . . . 5887 1 873 . 1 1 95 95 PRO CA C 13 60.5 0.2 . 1 . . . . . . . . 5887 1 874 . 1 1 95 95 PRO CB C 13 29.7 0.2 . 1 . . . . . . . . 5887 1 875 . 1 1 95 95 PRO CG C 13 25.5 0.2 . 1 . . . . . . . . 5887 1 876 . 1 1 95 95 PRO CD C 13 48.0 0.2 . 1 . . . . . . . . 5887 1 877 . 1 1 96 96 ILE H H 1 8.22 0.02 . 1 . . . . . . . . 5887 1 878 . 1 1 96 96 ILE HA H 1 4.02 0.02 . 1 . . . . . . . . 5887 1 879 . 1 1 96 96 ILE HB H 1 1.59 0.02 . 1 . . . . . . . . 5887 1 880 . 1 1 96 96 ILE HG12 H 1 1.51 0.02 . 2 . . . . . . . . 5887 1 881 . 1 1 96 96 ILE HG13 H 1 1.00 0.02 . 2 . . . . . . . . 5887 1 882 . 1 1 96 96 ILE HG21 H 1 0.74 0.02 . 1 . . . . . . . . 5887 1 883 . 1 1 96 96 ILE HG22 H 1 0.74 0.02 . 1 . . . . . . . . 5887 1 884 . 1 1 96 96 ILE HG23 H 1 0.74 0.02 . 1 . . . . . . . . 5887 1 885 . 1 1 96 96 ILE HD11 H 1 0.81 0.02 . 1 . . . . . . . . 5887 1 886 . 1 1 96 96 ILE HD12 H 1 0.81 0.02 . 1 . . . . . . . . 5887 1 887 . 1 1 96 96 ILE HD13 H 1 0.81 0.02 . 1 . . . . . . . . 5887 1 888 . 1 1 96 96 ILE CA C 13 60.5 0.2 . 1 . . . . . . . . 5887 1 889 . 1 1 96 96 ILE CB C 13 36.3 0.2 . 1 . . . . . . . . 5887 1 890 . 1 1 96 96 ILE CG1 C 13 26.9 0.2 . 1 . . . . . . . . 5887 1 891 . 1 1 96 96 ILE CG2 C 13 15.4 0.2 . 1 . . . . . . . . 5887 1 892 . 1 1 96 96 ILE CD1 C 13 11.4 0.2 . 1 . . . . . . . . 5887 1 893 . 1 1 96 96 ILE N N 15 121.9 0.2 . 1 . . . . . . . . 5887 1 894 . 1 1 97 97 MET H H 1 8.50 0.02 . 1 . . . . . . . . 5887 1 895 . 1 1 97 97 MET HA H 1 4.91 0.02 . 1 . . . . . . . . 5887 1 896 . 1 1 97 97 MET HB2 H 1 2.16 0.02 . 2 . . . . . . . . 5887 1 897 . 1 1 97 97 MET HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5887 1 898 . 1 1 97 97 MET HG2 H 1 2.74 0.02 . 2 . . . . . . . . 5887 1 899 . 1 1 97 97 MET HG3 H 1 2.65 0.02 . 2 . . . . . . . . 5887 1 900 . 1 1 97 97 MET HE1 H 1 2.10 0.02 . 1 . . . . . . . . 5887 1 901 . 1 1 97 97 MET HE2 H 1 2.10 0.02 . 1 . . . . . . . . 5887 1 902 . 1 1 97 97 MET HE3 H 1 2.10 0.02 . 1 . . . . . . . . 5887 1 903 . 1 1 97 97 MET CA C 13 51.4 0.2 . 1 . . . . . . . . 5887 1 904 . 1 1 97 97 MET CB C 13 34.2 0.2 . 1 . . . . . . . . 5887 1 905 . 1 1 97 97 MET CG C 13 29.5 0.2 . 1 . . . . . . . . 5887 1 906 . 1 1 97 97 MET CE C 13 15.1 0.2 . 1 . . . . . . . . 5887 1 907 . 1 1 97 97 MET N N 15 123.8 0.2 . 1 . . . . . . . . 5887 1 908 . 1 1 98 98 GLY H H 1 8.61 0.02 . 1 . . . . . . . . 5887 1 909 . 1 1 98 98 GLY HA2 H 1 3.40 0.02 . 2 . . . . . . . . 5887 1 910 . 1 1 98 98 GLY CA C 13 42.8 0.2 . 1 . . . . . . . . 5887 1 911 . 1 1 98 98 GLY N N 15 109.4 0.2 . 1 . . . . . . . . 5887 1 912 . 1 1 99 99 PHE H H 1 8.28 0.02 . 1 . . . . . . . . 5887 1 913 . 1 1 99 99 PHE HA H 1 5.04 0.02 . 1 . . . . . . . . 5887 1 914 . 1 1 99 99 PHE HB2 H 1 2.79 0.02 . 2 . . . . . . . . 5887 1 915 . 1 1 99 99 PHE HB3 H 1 2.63 0.02 . 2 . . . . . . . . 5887 1 916 . 1 1 99 99 PHE HD1 H 1 6.60 0.02 . 4 . . . . . . . . 5887 1 917 . 1 1 99 99 PHE HD2 H 1 7.12 0.02 . 4 . . . . . . . . 5887 1 918 . 1 1 99 99 PHE HE1 H 1 5.89 0.02 . 4 . . . . . . . . 5887 1 919 . 1 1 99 99 PHE HE2 H 1 6.41 0.02 . 4 . . . . . . . . 5887 1 920 . 1 1 99 99 PHE HZ H 1 6.84 0.02 . 4 . . . . . . . . 5887 1 921 . 1 1 99 99 PHE CA C 13 54.3 0.2 . 1 . . . . . . . . 5887 1 922 . 1 1 99 99 PHE CB C 13 41.4 0.2 . 1 . . . . . . . . 5887 1 923 . 1 1 99 99 PHE CD1 C 13 125.5 0.2 . 4 . . . . . . . . 5887 1 924 . 1 1 99 99 PHE CD2 C 13 127.3 0.2 . 4 . . . . . . . . 5887 1 925 . 1 1 99 99 PHE CE1 C 13 128.2 0.2 . 4 . . . . . . . . 5887 1 926 . 1 1 99 99 PHE CE2 C 13 128.6 0.2 . 4 . . . . . . . . 5887 1 927 . 1 1 99 99 PHE CZ C 13 130.4 0.2 . 4 . . . . . . . . 5887 1 928 . 1 1 99 99 PHE N N 15 117.2 0.2 . 1 . . . . . . . . 5887 1 929 . 1 1 100 100 HIS H H 1 8.52 0.02 . 1 . . . . . . . . 5887 1 930 . 1 1 100 100 HIS HA H 1 4.94 0.02 . 1 . . . . . . . . 5887 1 931 . 1 1 100 100 HIS HD2 H 1 7.14 0.02 . 1 . . . . . . . . 5887 1 932 . 1 1 100 100 HIS HE1 H 1 7.30 0.02 . 1 . . . . . . . . 5887 1 933 . 1 1 100 100 HIS CA C 13 51.2 0.2 . 1 . . . . . . . . 5887 1 934 . 1 1 100 100 HIS CB C 13 31.1 0.2 . 1 . . . . . . . . 5887 1 935 . 1 1 100 100 HIS CD2 C 13 115.8 0.2 . 1 . . . . . . . . 5887 1 936 . 1 1 100 100 HIS CE1 C 13 135.4 0.2 . 1 . . . . . . . . 5887 1 937 . 1 1 100 100 HIS N N 15 119.0 0.2 . 1 . . . . . . . . 5887 1 938 . 1 1 101 101 GLN H H 1 9.13 0.02 . 1 . . . . . . . . 5887 1 939 . 1 1 101 101 GLN HA H 1 6.09 0.02 . 1 . . . . . . . . 5887 1 940 . 1 1 101 101 GLN HE21 H 1 11.08 0.02 . 2 . . . . . . . . 5887 1 941 . 1 1 101 101 GLN HE22 H 1 6.88 0.02 . 2 . . . . . . . . 5887 1 942 . 1 1 101 101 GLN CA C 13 52.2 0.2 . 1 . . . . . . . . 5887 1 943 . 1 1 101 101 GLN N N 15 124.6 0.2 . 1 . . . . . . . . 5887 1 944 . 1 1 101 101 GLN NE2 N 15 122.8 0.2 . 1 . . . . . . . . 5887 1 945 . 1 1 102 102 MET H H 1 8.20 0.02 . 1 . . . . . . . . 5887 1 946 . 1 1 102 102 MET HA H 1 5.27 0.02 . 1 . . . . . . . . 5887 1 947 . 1 1 102 102 MET HE1 H 1 1.79 0.02 . 1 . . . . . . . . 5887 1 948 . 1 1 102 102 MET HE2 H 1 1.79 0.02 . 1 . . . . . . . . 5887 1 949 . 1 1 102 102 MET HE3 H 1 1.79 0.02 . 1 . . . . . . . . 5887 1 950 . 1 1 102 102 MET CA C 13 50.9 0.2 . 1 . . . . . . . . 5887 1 951 . 1 1 102 102 MET CB C 13 32.7 0.2 . 1 . . . . . . . . 5887 1 952 . 1 1 102 102 MET CE C 13 15.3 0.2 . 1 . . . . . . . . 5887 1 953 . 1 1 102 102 MET N N 15 124.2 0.2 . 1 . . . . . . . . 5887 1 954 . 1 1 103 103 PHE H H 1 8.81 0.02 . 1 . . . . . . . . 5887 1 955 . 1 1 103 103 PHE HA H 1 5.54 0.02 . 1 . . . . . . . . 5887 1 956 . 1 1 103 103 PHE HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5887 1 957 . 1 1 103 103 PHE HB3 H 1 2.54 0.02 . 2 . . . . . . . . 5887 1 958 . 1 1 103 103 PHE HD1 H 1 5.96 0.02 . 4 . . . . . . . . 5887 1 959 . 1 1 103 103 PHE HD2 H 1 5.96 0.02 . 4 . . . . . . . . 5887 1 960 . 1 1 103 103 PHE HE1 H 1 6.69 0.02 . 4 . . . . . . . . 5887 1 961 . 1 1 103 103 PHE HE2 H 1 6.69 0.02 . 4 . . . . . . . . 5887 1 962 . 1 1 103 103 PHE HZ H 1 6.69 0.02 . 4 . . . . . . . . 5887 1 963 . 1 1 103 103 PHE CA C 13 53.7 0.2 . 1 . . . . . . . . 5887 1 964 . 1 1 103 103 PHE CB C 13 41.6 0.2 . 1 . . . . . . . . 5887 1 965 . 1 1 103 103 PHE CD1 C 13 126.8 0.2 . 4 . . . . . . . . 5887 1 966 . 1 1 103 103 PHE CD2 C 13 126.8 0.2 . 4 . . . . . . . . 5887 1 967 . 1 1 103 103 PHE CE1 C 13 128.3 0.2 . 4 . . . . . . . . 5887 1 968 . 1 1 103 103 PHE CE2 C 13 128.3 0.2 . 4 . . . . . . . . 5887 1 969 . 1 1 103 103 PHE CZ C 13 128.3 0.2 . 4 . . . . . . . . 5887 1 970 . 1 1 103 103 PHE N N 15 117.5 0.2 . 1 . . . . . . . . 5887 1 971 . 1 1 104 104 LEU H H 1 8.85 0.02 . 1 . . . . . . . . 5887 1 972 . 1 1 104 104 LEU HA H 1 5.35 0.02 . 1 . . . . . . . . 5887 1 973 . 1 1 104 104 LEU HB2 H 1 2.24 0.02 . 2 . . . . . . . . 5887 1 974 . 1 1 104 104 LEU HG H 1 1.54 0.02 . 1 . . . . . . . . 5887 1 975 . 1 1 104 104 LEU HD11 H 1 0.99 0.02 . 2 . . . . . . . . 5887 1 976 . 1 1 104 104 LEU HD12 H 1 0.99 0.02 . 2 . . . . . . . . 5887 1 977 . 1 1 104 104 LEU HD13 H 1 0.99 0.02 . 2 . . . . . . . . 5887 1 978 . 1 1 104 104 LEU HD21 H 1 0.96 0.02 . 2 . . . . . . . . 5887 1 979 . 1 1 104 104 LEU HD22 H 1 0.96 0.02 . 2 . . . . . . . . 5887 1 980 . 1 1 104 104 LEU HD23 H 1 0.96 0.02 . 2 . . . . . . . . 5887 1 981 . 1 1 104 104 LEU CA C 13 52.0 0.2 . 1 . . . . . . . . 5887 1 982 . 1 1 104 104 LEU CB C 13 43.9 0.2 . 1 . . . . . . . . 5887 1 983 . 1 1 104 104 LEU CG C 13 25.7 0.2 . 1 . . . . . . . . 5887 1 984 . 1 1 104 104 LEU CD1 C 13 24.6 0.2 . 2 . . . . . . . . 5887 1 985 . 1 1 104 104 LEU CD2 C 13 23.0 0.2 . 2 . . . . . . . . 5887 1 986 . 1 1 104 104 LEU N N 15 122.5 0.2 . 1 . . . . . . . . 5887 1 987 . 1 1 105 105 LEU H H 1 9.75 0.02 . 1 . . . . . . . . 5887 1 988 . 1 1 105 105 LEU HA H 1 5.60 0.02 . 1 . . . . . . . . 5887 1 989 . 1 1 105 105 LEU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5887 1 990 . 1 1 105 105 LEU HB3 H 1 1.28 0.02 . 2 . . . . . . . . 5887 1 991 . 1 1 105 105 LEU HD11 H 1 0.23 0.02 . 2 . . . . . . . . 5887 1 992 . 1 1 105 105 LEU HD12 H 1 0.23 0.02 . 2 . . . . . . . . 5887 1 993 . 1 1 105 105 LEU HD13 H 1 0.23 0.02 . 2 . . . . . . . . 5887 1 994 . 1 1 105 105 LEU HD21 H 1 -0.39 0.02 . 2 . . . . . . . . 5887 1 995 . 1 1 105 105 LEU HD22 H 1 -0.39 0.02 . 2 . . . . . . . . 5887 1 996 . 1 1 105 105 LEU HD23 H 1 -0.39 0.02 . 2 . . . . . . . . 5887 1 997 . 1 1 105 105 LEU CA C 13 50.6 0.2 . 1 . . . . . . . . 5887 1 998 . 1 1 105 105 LEU CB C 13 43.1 0.2 . 1 . . . . . . . . 5887 1 999 . 1 1 105 105 LEU CD1 C 13 22.4 0.2 . 2 . . . . . . . . 5887 1 1000 . 1 1 105 105 LEU CD2 C 13 18.5 0.2 . 2 . . . . . . . . 5887 1 1001 . 1 1 105 105 LEU N N 15 125.8 0.2 . 1 . . . . . . . . 5887 1 1002 . 1 1 106 106 LYS H H 1 9.34 0.02 . 1 . . . . . . . . 5887 1 1003 . 1 1 106 106 LYS HA H 1 4.84 0.02 . 1 . . . . . . . . 5887 1 1004 . 1 1 106 106 LYS HB2 H 1 1.80 0.02 . 2 . . . . . . . . 5887 1 1005 . 1 1 106 106 LYS HB3 H 1 1.53 0.02 . 2 . . . . . . . . 5887 1 1006 . 1 1 106 106 LYS HG2 H 1 1.83 0.02 . 2 . . . . . . . . 5887 1 1007 . 1 1 106 106 LYS HG3 H 1 1.75 0.02 . 2 . . . . . . . . 5887 1 1008 . 1 1 106 106 LYS CA C 13 52.7 0.2 . 1 . . . . . . . . 5887 1 1009 . 1 1 106 106 LYS CB C 13 36.3 0.2 . 1 . . . . . . . . 5887 1 1010 . 1 1 106 106 LYS CG C 13 23.3 0.2 . 1 . . . . . . . . 5887 1 1011 . 1 1 106 106 LYS N N 15 122.4 0.2 . 1 . . . . . . . . 5887 1 1012 . 1 1 107 107 ASN H H 1 8.31 0.02 . 1 . . . . . . . . 5887 1 1013 . 1 1 107 107 ASN HA H 1 4.26 0.02 . 1 . . . . . . . . 5887 1 1014 . 1 1 107 107 ASN HB2 H 1 1.76 0.02 . 2 . . . . . . . . 5887 1 1015 . 1 1 107 107 ASN HB3 H 1 1.52 0.02 . 2 . . . . . . . . 5887 1 1016 . 1 1 107 107 ASN HD21 H 1 6.27 0.02 . 2 . . . . . . . . 5887 1 1017 . 1 1 107 107 ASN CA C 13 49.8 0.2 . 1 . . . . . . . . 5887 1 1018 . 1 1 107 107 ASN CB C 13 35.6 0.2 . 1 . . . . . . . . 5887 1 1019 . 1 1 107 107 ASN N N 15 126.3 0.2 . 1 . . . . . . . . 5887 1 1020 . 1 1 107 107 ASN ND2 N 15 106.7 0.2 . 1 . . . . . . . . 5887 1 1021 . 1 1 108 108 ILE H H 1 8.62 0.02 . 1 . . . . . . . . 5887 1 1022 . 1 1 108 108 ILE HA H 1 4.09 0.02 . 1 . . . . . . . . 5887 1 1023 . 1 1 108 108 ILE HB H 1 1.58 0.02 . 1 . . . . . . . . 5887 1 1024 . 1 1 108 108 ILE HG12 H 1 1.26 0.02 . 2 . . . . . . . . 5887 1 1025 . 1 1 108 108 ILE HG13 H 1 0.92 0.02 . 2 . . . . . . . . 5887 1 1026 . 1 1 108 108 ILE HG21 H 1 0.80 0.02 . 1 . . . . . . . . 5887 1 1027 . 1 1 108 108 ILE HG22 H 1 0.80 0.02 . 1 . . . . . . . . 5887 1 1028 . 1 1 108 108 ILE HG23 H 1 0.80 0.02 . 1 . . . . . . . . 5887 1 1029 . 1 1 108 108 ILE HD11 H 1 0.73 0.02 . 1 . . . . . . . . 5887 1 1030 . 1 1 108 108 ILE HD12 H 1 0.73 0.02 . 1 . . . . . . . . 5887 1 1031 . 1 1 108 108 ILE HD13 H 1 0.73 0.02 . 1 . . . . . . . . 5887 1 1032 . 1 1 108 108 ILE CA C 13 58.0 0.2 . 1 . . . . . . . . 5887 1 1033 . 1 1 108 108 ILE CB C 13 37.6 0.2 . 1 . . . . . . . . 5887 1 1034 . 1 1 108 108 ILE CG1 C 13 24.6 0.2 . 1 . . . . . . . . 5887 1 1035 . 1 1 108 108 ILE CG2 C 13 14.4 0.2 . 1 . . . . . . . . 5887 1 1036 . 1 1 108 108 ILE CD1 C 13 10.9 0.2 . 1 . . . . . . . . 5887 1 1037 . 1 1 108 108 ILE N N 15 127.5 0.2 . 1 . . . . . . . . 5887 1 1038 . 1 1 109 109 ASN H H 1 9.18 0.02 . 1 . . . . . . . . 5887 1 1039 . 1 1 109 109 ASN HA H 1 4.24 0.02 . 1 . . . . . . . . 5887 1 1040 . 1 1 109 109 ASN HB2 H 1 2.99 0.02 . 2 . . . . . . . . 5887 1 1041 . 1 1 109 109 ASN HB3 H 1 2.77 0.02 . 2 . . . . . . . . 5887 1 1042 . 1 1 109 109 ASN HD21 H 1 7.59 0.02 . 2 . . . . . . . . 5887 1 1043 . 1 1 109 109 ASN HD22 H 1 6.84 0.02 . 2 . . . . . . . . 5887 1 1044 . 1 1 109 109 ASN CA C 13 52.3 0.2 . 1 . . . . . . . . 5887 1 1045 . 1 1 109 109 ASN CB C 13 34.5 0.2 . 1 . . . . . . . . 5887 1 1046 . 1 1 109 109 ASN N N 15 125.4 0.2 . 1 . . . . . . . . 5887 1 1047 . 1 1 109 109 ASN ND2 N 15 112.4 0.2 . 1 . . . . . . . . 5887 1 1048 . 1 1 110 110 ASP H H 1 8.11 0.02 . 1 . . . . . . . . 5887 1 1049 . 1 1 110 110 ASP HA H 1 4.26 0.02 . 1 . . . . . . . . 5887 1 1050 . 1 1 110 110 ASP HB2 H 1 2.93 0.02 . 2 . . . . . . . . 5887 1 1051 . 1 1 110 110 ASP HB3 H 1 2.73 0.02 . 2 . . . . . . . . 5887 1 1052 . 1 1 110 110 ASP CA C 13 53.7 0.2 . 1 . . . . . . . . 5887 1 1053 . 1 1 110 110 ASP CB C 13 37.3 0.2 . 1 . . . . . . . . 5887 1 1054 . 1 1 110 110 ASP N N 15 111.0 0.2 . 1 . . . . . . . . 5887 1 1055 . 1 1 111 111 ALA H H 1 7.39 0.02 . 1 . . . . . . . . 5887 1 1056 . 1 1 111 111 ALA HA H 1 4.57 0.02 . 1 . . . . . . . . 5887 1 1057 . 1 1 111 111 ALA HB1 H 1 1.32 0.02 . 1 . . . . . . . . 5887 1 1058 . 1 1 111 111 ALA HB2 H 1 1.32 0.02 . 1 . . . . . . . . 5887 1 1059 . 1 1 111 111 ALA HB3 H 1 1.32 0.02 . 1 . . . . . . . . 5887 1 1060 . 1 1 111 111 ALA CA C 13 48.8 0.2 . 1 . . . . . . . . 5887 1 1061 . 1 1 111 111 ALA CB C 13 19.4 0.2 . 1 . . . . . . . . 5887 1 1062 . 1 1 111 111 ALA N N 15 121.4 0.2 . 1 . . . . . . . . 5887 1 1063 . 1 1 112 112 TRP H H 1 8.47 0.02 . 1 . . . . . . . . 5887 1 1064 . 1 1 112 112 TRP HA H 1 4.78 0.02 . 1 . . . . . . . . 5887 1 1065 . 1 1 112 112 TRP HB2 H 1 3.03 0.02 . 2 . . . . . . . . 5887 1 1066 . 1 1 112 112 TRP HB3 H 1 2.84 0.02 . 2 . . . . . . . . 5887 1 1067 . 1 1 112 112 TRP HD1 H 1 7.20 0.02 . 1 . . . . . . . . 5887 1 1068 . 1 1 112 112 TRP HE1 H 1 10.21 0.02 . 1 . . . . . . . . 5887 1 1069 . 1 1 112 112 TRP HE3 H 1 7.16 0.02 . 1 . . . . . . . . 5887 1 1070 . 1 1 112 112 TRP HZ2 H 1 7.48 0.02 . 1 . . . . . . . . 5887 1 1071 . 1 1 112 112 TRP HZ3 H 1 7.05 0.02 . 1 . . . . . . . . 5887 1 1072 . 1 1 112 112 TRP HH2 H 1 7.32 0.02 . 1 . . . . . . . . 5887 1 1073 . 1 1 112 112 TRP CA C 13 55.3 0.2 . 1 . . . . . . . . 5887 1 1074 . 1 1 112 112 TRP CB C 13 26.2 0.2 . 1 . . . . . . . . 5887 1 1075 . 1 1 112 112 TRP CD1 C 13 124.5 0.2 . 1 . . . . . . . . 5887 1 1076 . 1 1 112 112 TRP CE3 C 13 117.7 0.2 . 1 . . . . . . . . 5887 1 1077 . 1 1 112 112 TRP CZ2 C 13 112.5 0.2 . 1 . . . . . . . . 5887 1 1078 . 1 1 112 112 TRP CZ3 C 13 119.8 0.2 . 1 . . . . . . . . 5887 1 1079 . 1 1 112 112 TRP CH2 C 13 122.7 0.2 . 1 . . . . . . . . 5887 1 1080 . 1 1 112 112 TRP N N 15 121.4 0.2 . 1 . . . . . . . . 5887 1 1081 . 1 1 112 112 TRP NE1 N 15 128.6 0.2 . 1 . . . . . . . . 5887 1 1082 . 1 1 113 113 VAL H H 1 9.03 0.02 . 1 . . . . . . . . 5887 1 1083 . 1 1 113 113 VAL HA H 1 4.79 0.02 . 1 . . . . . . . . 5887 1 1084 . 1 1 113 113 VAL HB H 1 2.02 0.02 . 1 . . . . . . . . 5887 1 1085 . 1 1 113 113 VAL HG11 H 1 1.00 0.02 . 2 . . . . . . . . 5887 1 1086 . 1 1 113 113 VAL HG12 H 1 1.00 0.02 . 2 . . . . . . . . 5887 1 1087 . 1 1 113 113 VAL HG13 H 1 1.00 0.02 . 2 . . . . . . . . 5887 1 1088 . 1 1 113 113 VAL HG21 H 1 0.84 0.02 . 2 . . . . . . . . 5887 1 1089 . 1 1 113 113 VAL HG22 H 1 0.84 0.02 . 2 . . . . . . . . 5887 1 1090 . 1 1 113 113 VAL HG23 H 1 0.84 0.02 . 2 . . . . . . . . 5887 1 1091 . 1 1 113 113 VAL CA C 13 56.8 0.2 . 1 . . . . . . . . 5887 1 1092 . 1 1 113 113 VAL CB C 13 32.6 0.2 . 1 . . . . . . . . 5887 1 1093 . 1 1 113 113 VAL CG1 C 13 15.1 0.2 . 2 . . . . . . . . 5887 1 1094 . 1 1 113 113 VAL CG2 C 13 16.5 0.2 . 2 . . . . . . . . 5887 1 1095 . 1 1 113 113 VAL N N 15 118.2 0.2 . 1 . . . . . . . . 5887 1 1096 . 1 1 114 114 CYS H H 1 9.10 0.02 . 1 . . . . . . . . 5887 1 1097 . 1 1 114 114 CYS HA H 1 5.20 0.02 . 1 . . . . . . . . 5887 1 1098 . 1 1 114 114 CYS HB2 H 1 2.68 0.02 . 2 . . . . . . . . 5887 1 1099 . 1 1 114 114 CYS CA C 13 55.6 0.2 . 1 . . . . . . . . 5887 1 1100 . 1 1 114 114 CYS CB C 13 25.8 0.2 . 1 . . . . . . . . 5887 1 1101 . 1 1 114 114 CYS N N 15 120.2 0.2 . 1 . . . . . . . . 5887 1 1102 . 1 1 115 115 THR H H 1 9.27 0.02 . 1 . . . . . . . . 5887 1 1103 . 1 1 115 115 THR HA H 1 4.33 0.02 . 1 . . . . . . . . 5887 1 1104 . 1 1 115 115 THR HB H 1 3.90 0.02 . 1 . . . . . . . . 5887 1 1105 . 1 1 115 115 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 5887 1 1106 . 1 1 115 115 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 5887 1 1107 . 1 1 115 115 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 5887 1 1108 . 1 1 115 115 THR CA C 13 61.5 0.2 . 1 . . . . . . . . 5887 1 1109 . 1 1 115 115 THR CB C 13 66.2 0.2 . 1 . . . . . . . . 5887 1 1110 . 1 1 115 115 THR CG2 C 13 20.1 0.2 . 1 . . . . . . . . 5887 1 1111 . 1 1 115 115 THR N N 15 118.5 0.2 . 1 . . . . . . . . 5887 1 1112 . 1 1 116 116 ASN H H 1 7.86 0.02 . 1 . . . . . . . . 5887 1 1113 . 1 1 116 116 ASN HA H 1 5.71 0.02 . 1 . . . . . . . . 5887 1 1114 . 1 1 116 116 ASN HB2 H 1 3.05 0.02 . 2 . . . . . . . . 5887 1 1115 . 1 1 116 116 ASN HB3 H 1 2.25 0.02 . 2 . . . . . . . . 5887 1 1116 . 1 1 116 116 ASN HD21 H 1 8.54 0.02 . 2 . . . . . . . . 5887 1 1117 . 1 1 116 116 ASN HD22 H 1 6.10 0.02 . 2 . . . . . . . . 5887 1 1118 . 1 1 116 116 ASN CA C 13 52.4 0.2 . 1 . . . . . . . . 5887 1 1119 . 1 1 116 116 ASN CB C 13 39.1 0.2 . 1 . . . . . . . . 5887 1 1120 . 1 1 116 116 ASN N N 15 123.8 0.2 . 1 . . . . . . . . 5887 1 1121 . 1 1 116 116 ASN ND2 N 15 110.6 0.2 . 1 . . . . . . . . 5887 1 1122 . 1 1 117 117 ASP H H 1 8.63 0.02 . 1 . . . . . . . . 5887 1 1123 . 1 1 117 117 ASP HA H 1 5.65 0.02 . 1 . . . . . . . . 5887 1 1124 . 1 1 117 117 ASP HB2 H 1 2.94 0.02 . 2 . . . . . . . . 5887 1 1125 . 1 1 117 117 ASP HB3 H 1 2.97 0.02 . 2 . . . . . . . . 5887 1 1126 . 1 1 117 117 ASP CA C 13 50.7 0.2 . 1 . . . . . . . . 5887 1 1127 . 1 1 117 117 ASP CB C 13 43.5 0.2 . 1 . . . . . . . . 5887 1 1128 . 1 1 117 117 ASP N N 15 125.7 0.2 . 1 . . . . . . . . 5887 1 1129 . 1 1 118 118 MET H H 1 8.93 0.02 . 1 . . . . . . . . 5887 1 1130 . 1 1 118 118 MET HA H 1 5.48 0.02 . 1 . . . . . . . . 5887 1 1131 . 1 1 118 118 MET HB2 H 1 2.03 0.02 . 2 . . . . . . . . 5887 1 1132 . 1 1 118 118 MET HG2 H 1 2.21 0.02 . 2 . . . . . . . . 5887 1 1133 . 1 1 118 118 MET HE1 H 1 1.81 0.02 . 1 . . . . . . . . 5887 1 1134 . 1 1 118 118 MET HE2 H 1 1.81 0.02 . 1 . . . . . . . . 5887 1 1135 . 1 1 118 118 MET HE3 H 1 1.81 0.02 . 1 . . . . . . . . 5887 1 1136 . 1 1 118 118 MET CA C 13 53.2 0.2 . 1 . . . . . . . . 5887 1 1137 . 1 1 118 118 MET CB C 13 35.9 0.2 . 1 . . . . . . . . 5887 1 1138 . 1 1 118 118 MET CG C 13 31.7 0.2 . 1 . . . . . . . . 5887 1 1139 . 1 1 118 118 MET CE C 13 16.5 0.2 . 1 . . . . . . . . 5887 1 1140 . 1 1 118 118 MET N N 15 126.3 0.2 . 1 . . . . . . . . 5887 1 1141 . 1 1 119 119 PHE H H 1 8.90 0.02 . 1 . . . . . . . . 5887 1 1142 . 1 1 119 119 PHE HA H 1 5.10 0.02 . 1 . . . . . . . . 5887 1 1143 . 1 1 119 119 PHE HB2 H 1 2.88 0.02 . 2 . . . . . . . . 5887 1 1144 . 1 1 119 119 PHE HB3 H 1 2.32 0.02 . 2 . . . . . . . . 5887 1 1145 . 1 1 119 119 PHE CA C 13 55.0 0.2 . 1 . . . . . . . . 5887 1 1146 . 1 1 119 119 PHE CB C 13 42.3 0.2 . 1 . . . . . . . . 5887 1 1147 . 1 1 119 119 PHE N N 15 121.3 0.2 . 1 . . . . . . . . 5887 1 1148 . 1 1 120 120 ARG H H 1 8.15 0.02 . 1 . . . . . . . . 5887 1 1149 . 1 1 120 120 ARG HA H 1 4.21 0.02 . 1 . . . . . . . . 5887 1 1150 . 1 1 120 120 ARG HB2 H 1 1.34 0.02 . 2 . . . . . . . . 5887 1 1151 . 1 1 120 120 ARG HB3 H 1 1.28 0.02 . 2 . . . . . . . . 5887 1 1152 . 1 1 120 120 ARG CA C 13 52.3 0.2 . 1 . . . . . . . . 5887 1 1153 . 1 1 120 120 ARG CB C 13 32.7 0.2 . 1 . . . . . . . . 5887 1 1154 . 1 1 120 120 ARG N N 15 130.1 0.2 . 1 . . . . . . . . 5887 1 1155 . 1 1 121 121 LEU H H 1 8.93 0.02 . 1 . . . . . . . . 5887 1 1156 . 1 1 121 121 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 5887 1 1157 . 1 1 121 121 LEU HB2 H 1 1.73 0.02 . 2 . . . . . . . . 5887 1 1158 . 1 1 121 121 LEU HB3 H 1 1.35 0.02 . 2 . . . . . . . . 5887 1 1159 . 1 1 121 121 LEU HG H 1 1.30 0.02 . 1 . . . . . . . . 5887 1 1160 . 1 1 121 121 LEU HD11 H 1 1.03 0.02 . 2 . . . . . . . . 5887 1 1161 . 1 1 121 121 LEU HD12 H 1 1.03 0.02 . 2 . . . . . . . . 5887 1 1162 . 1 1 121 121 LEU HD13 H 1 1.03 0.02 . 2 . . . . . . . . 5887 1 1163 . 1 1 121 121 LEU HD21 H 1 1.01 0.02 . 2 . . . . . . . . 5887 1 1164 . 1 1 121 121 LEU HD22 H 1 1.01 0.02 . 2 . . . . . . . . 5887 1 1165 . 1 1 121 121 LEU HD23 H 1 1.01 0.02 . 2 . . . . . . . . 5887 1 1166 . 1 1 121 121 LEU CA C 13 52.1 0.2 . 1 . . . . . . . . 5887 1 1167 . 1 1 121 121 LEU CB C 13 40.7 0.2 . 1 . . . . . . . . 5887 1 1168 . 1 1 121 121 LEU CG C 13 20.1 0.2 . 1 . . . . . . . . 5887 1 1169 . 1 1 121 121 LEU CD1 C 13 23.3 0.2 . 2 . . . . . . . . 5887 1 1170 . 1 1 121 121 LEU CD2 C 13 22.1 0.2 . 2 . . . . . . . . 5887 1 1171 . 1 1 121 121 LEU N N 15 124.0 0.2 . 1 . . . . . . . . 5887 1 1172 . 1 1 122 122 ALA H H 1 8.13 0.02 . 1 . . . . . . . . 5887 1 1173 . 1 1 122 122 ALA HA H 1 4.19 0.02 . 1 . . . . . . . . 5887 1 1174 . 1 1 122 122 ALA HB1 H 1 1.05 0.02 . 1 . . . . . . . . 5887 1 1175 . 1 1 122 122 ALA HB2 H 1 1.05 0.02 . 1 . . . . . . . . 5887 1 1176 . 1 1 122 122 ALA HB3 H 1 1.05 0.02 . 1 . . . . . . . . 5887 1 1177 . 1 1 122 122 ALA CA C 13 49.1 0.2 . 1 . . . . . . . . 5887 1 1178 . 1 1 122 122 ALA CB C 13 16.9 0.2 . 1 . . . . . . . . 5887 1 1179 . 1 1 122 122 ALA N N 15 124.3 0.2 . 1 . . . . . . . . 5887 1 1180 . 1 1 123 123 LEU H H 1 8.01 0.02 . 1 . . . . . . . . 5887 1 1181 . 1 1 123 123 LEU HA H 1 4.29 0.02 . 1 . . . . . . . . 5887 1 1182 . 1 1 123 123 LEU HB2 H 1 1.47 0.02 . 2 . . . . . . . . 5887 1 1183 . 1 1 123 123 LEU HB3 H 1 1.41 0.02 . 2 . . . . . . . . 5887 1 1184 . 1 1 123 123 LEU HG H 1 0.85 0.02 . 1 . . . . . . . . 5887 1 1185 . 1 1 123 123 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 5887 1 1186 . 1 1 123 123 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 5887 1 1187 . 1 1 123 123 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 5887 1 1188 . 1 1 123 123 LEU HD21 H 1 0.82 0.02 . 2 . . . . . . . . 5887 1 1189 . 1 1 123 123 LEU HD22 H 1 0.82 0.02 . 2 . . . . . . . . 5887 1 1190 . 1 1 123 123 LEU HD23 H 1 0.82 0.02 . 2 . . . . . . . . 5887 1 1191 . 1 1 123 123 LEU CA C 13 52.8 0.2 . 1 . . . . . . . . 5887 1 1192 . 1 1 123 123 LEU CB C 13 40.1 0.2 . 1 . . . . . . . . 5887 1 1193 . 1 1 123 123 LEU CD1 C 13 22.8 0.2 . 2 . . . . . . . . 5887 1 1194 . 1 1 123 123 LEU CD2 C 13 21.2 0.2 . 2 . . . . . . . . 5887 1 1195 . 1 1 123 123 LEU N N 15 121.9 0.2 . 1 . . . . . . . . 5887 1 1196 . 1 1 124 124 HIS H H 1 8.20 0.02 . 1 . . . . . . . . 5887 1 1197 . 1 1 124 124 HIS HA H 1 4.51 0.02 . 1 . . . . . . . . 5887 1 1198 . 1 1 124 124 HIS HB2 H 1 2.88 0.02 . 2 . . . . . . . . 5887 1 1199 . 1 1 124 124 HIS HD2 H 1 6.86 0.02 . 1 . . . . . . . . 5887 1 1200 . 1 1 124 124 HIS HE1 H 1 8.08 0.02 . 1 . . . . . . . . 5887 1 1201 . 1 1 124 124 HIS CA C 13 53.1 0.2 . 1 . . . . . . . . 5887 1 1202 . 1 1 124 124 HIS CB C 13 28.4 0.2 . 1 . . . . . . . . 5887 1 1203 . 1 1 124 124 HIS CD2 C 13 117.2 0.2 . 1 . . . . . . . . 5887 1 1204 . 1 1 124 124 HIS CE1 C 13 135.1 0.2 . 1 . . . . . . . . 5887 1 1205 . 1 1 124 124 HIS N N 15 119.1 0.2 . 1 . . . . . . . . 5887 1 1206 . 1 1 125 125 ASN H H 1 8.16 0.02 . 1 . . . . . . . . 5887 1 1207 . 1 1 125 125 ASN HA H 1 4.63 0.02 . 1 . . . . . . . . 5887 1 1208 . 1 1 125 125 ASN HB2 H 1 2.67 0.02 . 2 . . . . . . . . 5887 1 1209 . 1 1 125 125 ASN HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5887 1 1210 . 1 1 125 125 ASN HD21 H 1 7.49 0.02 . 2 . . . . . . . . 5887 1 1211 . 1 1 125 125 ASN HD22 H 1 6.80 0.02 . 2 . . . . . . . . 5887 1 1212 . 1 1 125 125 ASN CA C 13 50.6 0.2 . 1 . . . . . . . . 5887 1 1213 . 1 1 125 125 ASN CB C 13 36.6 0.2 . 1 . . . . . . . . 5887 1 1214 . 1 1 125 125 ASN N N 15 119.1 0.2 . 1 . . . . . . . . 5887 1 1215 . 1 1 125 125 ASN ND2 N 15 112.1 0.2 . 1 . . . . . . . . 5887 1 1216 . 1 1 126 126 PHE H H 1 8.26 0.02 . 1 . . . . . . . . 5887 1 1217 . 1 1 126 126 PHE HA H 1 4.64 0.02 . 1 . . . . . . . . 5887 1 1218 . 1 1 126 126 PHE HB2 H 1 3.18 0.02 . 2 . . . . . . . . 5887 1 1219 . 1 1 126 126 PHE HB3 H 1 2.94 0.02 . 2 . . . . . . . . 5887 1 1220 . 1 1 126 126 PHE CA C 13 55.3 0.2 . 1 . . . . . . . . 5887 1 1221 . 1 1 126 126 PHE CB C 13 37.3 0.2 . 1 . . . . . . . . 5887 1 1222 . 1 1 126 126 PHE N N 15 120.7 0.2 . 1 . . . . . . . . 5887 1 1223 . 1 1 127 127 GLY H H 1 7.98 0.02 . 1 . . . . . . . . 5887 1 1224 . 1 1 127 127 GLY HA2 H 1 3.78 0.02 . 2 . . . . . . . . 5887 1 1225 . 1 1 127 127 GLY HA3 H 1 3.70 0.02 . 2 . . . . . . . . 5887 1 1226 . 1 1 127 127 GLY CA C 13 43.9 0.2 . 1 . . . . . . . . 5887 1 1227 . 1 1 127 127 GLY N N 15 115.6 0.2 . 1 . . . . . . . . 5887 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 123 5887 1 1 122 5887 1 1 121 5887 1 1 120 5887 1 1 119 5887 1 2 130 5887 1 2 129 5887 1 2 128 5887 1 2 127 5887 1 2 126 5887 1 3 923 5887 1 3 922 5887 1 3 921 5887 1 3 920 5887 1 3 919 5887 1 4 930 5887 1 4 929 5887 1 4 928 5887 1 4 927 5887 1 4 926 5887 1 5 965 5887 1 5 964 5887 1 5 963 5887 1 5 962 5887 1 5 961 5887 1 6 972 5887 1 6 971 5887 1 6 970 5887 1 6 969 5887 1 6 968 5887 1 stop_ save_