data_4866 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4866 _Entry.Title ; Backbone Resonance Assignment of Human UBC4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-10-18 _Entry.Accession_date 2000-10-18 _Entry.Last_release_date 2000-12-18 _Entry.Original_release_date 2000-12-18 _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 Neil Farrow . A . 4866 2 Sharon Archer . J . 4866 3 Zhongren Wu . J . 4866 4 Daniel Camac . M . 4866 5 Tom Parsons . . . 4866 6 Mark Rolfe . . . 4866 7 Peter Domaille . J . 4866 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4866 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 128 4866 '13C chemical shifts' 244 4866 '15N chemical shifts' 128 4866 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 . . 2000-12-18 2000-10-18 original author . 4866 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4866 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone resonance assignment of human UBC4 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 363 _Citation.Page_last 364 _Citation.Year 2000 _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 Neil Farrow . A . 4866 1 2 Sharon Archer . J . 4866 1 3 Zhongren Wu . J . 4866 1 4 Daniel Camac . M . 4866 1 5 Tom Parsons . . . 4866 1 6 Mark Rolfe . . . 4866 1 7 Peter Domaille . J . 4866 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID UBC4 4866 1 'heteronuclear NMR' 4866 1 'resonance assignments' 4866 1 ubiquitination 4866 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_UBC4 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_UBC4 _Assembly.Entry_ID 4866 _Assembly.ID 1 _Assembly.Name UBC4 _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 monomer 4866 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 ubc4 1 $ubc4 . . . native . . . . . 4866 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 . genbank 765056 . . . . . ; In the genbank listing of this sequences residue 129 is incorrectly listed as glutamine, it is actually lysine. ; 4866 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID UBC4 system 4866 1 UBC4 abbreviation 4866 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'mediates transfer between E1 and E3 components of ubiquitination pathways' 4866 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ubc4 _Entity.Sf_category entity _Entity.Sf_framecode ubc4 _Entity.Entry_ID 4866 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ubiquition conjugating enzyme 4' _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 ; MALKRIHKELNDLARDPPAQ CSAGPVGDDMFHWQATIMGP NDSPYQGGVFFLTIHFPTDY PFKPPKVAFTTRIYHPNINS NGSICLDILRSQWSPALTIS KVLLSICSLLCDPNPDDPLV PEIARIYKTDREKYNRIARE WTQKYAM ; _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 147 _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 16735.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 6277 . monomeric_polymer . . . . . 100.00 147 100.00 100.00 4.78e-105 . . . . 4866 1 2 no PDB 1UR6 . "Nmr Based Structural Model Of The Ubch5b-Cnot4 Complex" . . . . . 100.00 147 100.00 100.00 4.78e-105 . . . . 4866 1 3 no PDB 1W4U . "Nmr Solution Structure Of The Ubiquitin Conjugating Enzyme Ubch5b" . . . . . 100.00 147 100.00 100.00 4.78e-105 . . . . 4866 1 4 no PDB 1X23 . "Crystal Structure Of Ubch5c" . . . . . 100.00 155 97.28 100.00 5.43e-102 . . . . 4866 1 5 no PDB 2CLW . "Crystal Structure Of Human Ubiquitin-conjugating Enzyme Ubch5b" . . . . . 100.00 165 100.00 100.00 7.38e-105 . . . . 4866 1 6 no PDB 2ESK . "Human Ubiquitin-Conjugating Enzyme (E2) Ubch5b, Wild-Type" . . . . . 100.00 149 100.00 100.00 5.01e-105 . . . . 4866 1 7 no PDB 2ESO . "Human Ubiquitin-Conjugating Enzyme (E2) Ubch5b Mutant Ile37ala" . . . . . 100.00 149 99.32 99.32 2.36e-104 . . . . 4866 1 8 no PDB 2ESP . "Human Ubiquitin-Conjugating Enzyme (E2) Ubch5b Mutant Ile88ala" . . . . . 100.00 149 99.32 99.32 2.36e-104 . . . . 4866 1 9 no PDB 2ESQ . "Human Ubiquitin-Conjugating Enzyme (E2) Ubch5b Mutant Ser94gly" . . . . . 100.00 149 99.32 99.32 2.50e-104 . . . . 4866 1 10 no PDB 2FUH . "Solution Structure Of The Ubch5cUB NON-Covalent Complex" . . . . . 99.32 146 97.26 100.00 2.18e-101 . . . . 4866 1 11 no PDB 3A33 . "Ubch5b~ubiquitin Conjugate" . . . . . 100.00 150 99.32 99.32 6.05e-104 . . . . 4866 1 12 no PDB 3EB6 . "Structure Of The Ciap2 Ring Domain Bound To Ubch5b" . . . . . 100.00 149 100.00 100.00 4.11e-105 . . . . 4866 1 13 no PDB 3JVZ . E2~ubiquitin-Hect . . . . . 99.32 146 97.95 97.95 2.40e-101 . . . . 4866 1 14 no PDB 3JW0 . E2~ubiquitin-Hect . . . . . 99.32 146 97.95 97.95 2.40e-101 . . . . 4866 1 15 no PDB 3L1Y . "Crystal Structure Of Human Ubc4 E2 Conjugating Enzyme" . . . . . 100.00 157 99.32 100.00 1.28e-104 . . . . 4866 1 16 no PDB 3L1Z . "Crystal Structure Of The U-Box Domain Of Human E4b Ubiquitin Ligase In Complex With Ubch5c E2 Ubiquitin Conjugating Enzyme" . . . . . 100.00 157 97.28 100.00 3.47e-102 . . . . 4866 1 17 no PDB 3RPG . "Bmi1RING1B-Ubch5c Complex Structure" . . . . . 99.32 149 97.26 100.00 1.78e-101 . . . . 4866 1 18 no PDB 3TGD . "Crystal Structure Of The Human Ubiquitin-Conjugating Enzyme (E2) Ubch5b" . . . . . 100.00 152 100.00 100.00 3.46e-105 . . . . 4866 1 19 no PDB 3ZNI . "Structure Of Phosphotyr363-cbl-b - Ubch5b-ub - Zap-70 Peptide Complex" . . . . . 99.32 146 98.63 98.63 6.55e-102 . . . . 4866 1 20 no PDB 4A49 . "Structure Of Phosphotyr371-C-Cbl-Ubch5b Complex" . . . . . 100.00 147 100.00 100.00 4.78e-105 . . . . 4866 1 21 no PDB 4A4B . "Structure Of Modified Phosphotyr371-C-Cbl-Ubch5b-Zap-70 Complex" . . . . . 100.00 147 100.00 100.00 4.78e-105 . . . . 4866 1 22 no PDB 4A4C . "Structure Of Phosphotyr371-C-Cbl-Ubch5b-Zap-70 Complex" . . . . . 100.00 147 100.00 100.00 4.78e-105 . . . . 4866 1 23 no PDB 4AUQ . "Structure Of Birc7-Ubch5b-Ub Complex" . . . . . 100.00 147 97.96 97.96 3.63e-102 . . . . 4866 1 24 no PDB 4DDG . "Crystal Structure Of Human Otub1UBCH5B~UBUB" . . . . . 100.00 399 99.32 99.32 5.39e-104 . . . . 4866 1 25 no PDB 4DDI . "Crystal Structure Of Human Otub1UBCH5B~UBUB" . . . . . 100.00 399 99.32 99.32 5.39e-104 . . . . 4866 1 26 no PDB 4LDT . "The Structure Of H/ceotub1-ubiquitin Aldehyde-ubch5b~ub" . . . . . 100.00 148 99.32 99.32 6.45e-104 . . . . 4866 1 27 no PDB 4R8P . "Crystal Structure Of The Ring1b/bmi1/ubch5c Prc1 Ubiquitylation Module Bound To The Nucleosome Core Particle" . . . . . 99.32 268 97.26 100.00 6.17e-101 . . . . 4866 1 28 no PDB 4WZ3 . "Crystal Structure Of The Complex Between Lubx/legu2/lpp2887 U-box 1 And Homo Sapiens Ube2d2" . . . . . 100.00 148 99.32 99.32 6.45e-104 . . . . 4866 1 29 no DBJ BAA87330 . "phosphoarginine phosphatase [Rattus norvegicus]" . . . . . 100.00 147 97.28 100.00 2.68e-102 . . . . 4866 1 30 no DBJ BAB23116 . "unnamed protein product [Mus musculus]" . . . . . 100.00 147 97.28 100.00 2.68e-102 . . . . 4866 1 31 no DBJ BAC28070 . "unnamed protein product [Mus musculus]" . . . . . 100.00 147 97.28 100.00 2.68e-102 . . . . 4866 1 32 no DBJ BAC33981 . "unnamed protein product [Mus musculus]" . . . . . 100.00 147 97.28 100.00 2.68e-102 . . . . 4866 1 33 no DBJ BAC36940 . "unnamed protein product [Mus musculus]" . . . . . 100.00 147 97.28 100.00 2.68e-102 . . . . 4866 1 34 no EMBL CAG31534 . "hypothetical protein RCJMB04_7i20 [Gallus gallus]" . . . . . 100.00 147 97.28 100.00 2.68e-102 . . . . 4866 1 35 no EMBL CAH93209 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 147 97.28 100.00 2.68e-102 . . . . 4866 1 36 no EMBL CAJ81618 . "ubiquitin-conjugating enzyme E2D 2 (UBC4/5 homolog, yeast) [Xenopus (Silurana) tropicalis]" . . . . . 100.00 147 100.00 100.00 4.78e-105 . . . . 4866 1 37 no EMBL CDQ70075 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 148 97.28 98.64 2.35e-102 . . . . 4866 1 38 no EMBL CDQ72611 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 147 97.96 98.64 4.87e-103 . . . . 4866 1 39 no GB AAA85100 . "ubiquitin conjugating enzyme [Rattus norvegicus]" . . . . . 100.00 147 97.28 100.00 2.68e-102 . . . . 4866 1 40 no GB AAA85101 . "ubiquitin conjugating enzyme [Rattus norvegicus]" . . . . . 100.00 147 100.00 100.00 4.78e-105 . . . . 4866 1 41 no GB AAA85102 . "ubiquitin conjugating enzyme [Rattus norvegicus]" . . . . . 100.00 147 97.28 100.00 2.68e-102 . . . . 4866 1 42 no GB AAA91460 . "UbcH5B [Homo sapiens]" . . . . . 100.00 147 100.00 100.00 4.78e-105 . . . . 4866 1 43 no GB AAA91461 . "UbcH5C [Homo sapiens]" . . . . . 100.00 147 97.28 100.00 2.68e-102 . . . . 4866 1 44 no PRF 2111484A . "ubiquitin-conjugating enzyme" . . . . . 100.00 147 99.32 100.00 1.76e-104 . . . . 4866 1 45 no REF NP_001016064 . "ubiquitin-conjugating enzyme E2D 3 [Xenopus (Silurana) tropicalis]" . . . . . 100.00 147 100.00 100.00 4.78e-105 . . . . 4866 1 46 no REF NP_001026324 . "ubiquitin-conjugating enzyme E2 D3 [Gallus gallus]" . . . . . 100.00 147 97.28 100.00 2.68e-102 . . . . 4866 1 47 no REF NP_001032369 . "ubiquitin-conjugating enzyme E2 D2 [Rattus norvegicus]" . . . . . 100.00 147 100.00 100.00 4.78e-105 . . . . 4866 1 48 no REF NP_001039961 . "ubiquitin-conjugating enzyme E2 D2 [Bos taurus]" . . . . . 100.00 147 100.00 100.00 4.78e-105 . . . . 4866 1 49 no REF NP_001072141 . "ubiquitin-conjugating enzyme E2 D2 [Sus scrofa]" . . . . . 100.00 147 98.64 100.00 6.04e-104 . . . . 4866 1 50 no SP P61077 . "RecName: Full=Ubiquitin-conjugating enzyme E2 D3; AltName: Full=Ubiquitin carrier protein D3; AltName: Full=Ubiquitin-conjugati" . . . . . 100.00 147 97.28 100.00 2.68e-102 . . . . 4866 1 51 no SP P61078 . "RecName: Full=Ubiquitin-conjugating enzyme E2 D3; AltName: Full=Phosphoarginine phosphatase; Short=PAPase; AltName: Full=Ubiqui" . . . . . 100.00 147 97.28 100.00 2.68e-102 . . . . 4866 1 52 no SP P61079 . "RecName: Full=Ubiquitin-conjugating enzyme E2 D3; AltName: Full=Ubiquitin carrier protein D3; AltName: Full=Ubiquitin-conjugati" . . . . . 100.00 147 97.28 100.00 2.68e-102 . . . . 4866 1 53 no SP P62837 . "RecName: Full=Ubiquitin-conjugating enzyme E2 D2; AltName: Full=Ubiquitin carrier protein D2; AltName: Full=Ubiquitin-conjugati" . . . . . 100.00 147 100.00 100.00 4.78e-105 . . . . 4866 1 54 no SP P62838 . "RecName: Full=Ubiquitin-conjugating enzyme E2 D2; AltName: Full=Ubiquitin carrier protein D2; AltName: Full=Ubiquitin-conjugati" . . . . . 100.00 147 100.00 100.00 4.78e-105 . . . . 4866 1 55 no TPG DAA27344 . "TPA: ubiquitin-conjugating enzyme E2 D2 [Bos taurus]" . . . . . 100.00 147 100.00 100.00 4.78e-105 . . . . 4866 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquition conjugating enzyme 4' common 4866 1 ubc4 abbreviation 4866 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 . 4866 1 2 . ALA . 4866 1 3 . LEU . 4866 1 4 . LYS . 4866 1 5 . ARG . 4866 1 6 . ILE . 4866 1 7 . HIS . 4866 1 8 . LYS . 4866 1 9 . GLU . 4866 1 10 . LEU . 4866 1 11 . ASN . 4866 1 12 . ASP . 4866 1 13 . LEU . 4866 1 14 . ALA . 4866 1 15 . ARG . 4866 1 16 . ASP . 4866 1 17 . PRO . 4866 1 18 . PRO . 4866 1 19 . ALA . 4866 1 20 . GLN . 4866 1 21 . CYS . 4866 1 22 . SER . 4866 1 23 . ALA . 4866 1 24 . GLY . 4866 1 25 . PRO . 4866 1 26 . VAL . 4866 1 27 . GLY . 4866 1 28 . ASP . 4866 1 29 . ASP . 4866 1 30 . MET . 4866 1 31 . PHE . 4866 1 32 . HIS . 4866 1 33 . TRP . 4866 1 34 . GLN . 4866 1 35 . ALA . 4866 1 36 . THR . 4866 1 37 . ILE . 4866 1 38 . MET . 4866 1 39 . GLY . 4866 1 40 . PRO . 4866 1 41 . ASN . 4866 1 42 . ASP . 4866 1 43 . SER . 4866 1 44 . PRO . 4866 1 45 . TYR . 4866 1 46 . GLN . 4866 1 47 . GLY . 4866 1 48 . GLY . 4866 1 49 . VAL . 4866 1 50 . PHE . 4866 1 51 . PHE . 4866 1 52 . LEU . 4866 1 53 . THR . 4866 1 54 . ILE . 4866 1 55 . HIS . 4866 1 56 . PHE . 4866 1 57 . PRO . 4866 1 58 . THR . 4866 1 59 . ASP . 4866 1 60 . TYR . 4866 1 61 . PRO . 4866 1 62 . PHE . 4866 1 63 . LYS . 4866 1 64 . PRO . 4866 1 65 . PRO . 4866 1 66 . LYS . 4866 1 67 . VAL . 4866 1 68 . ALA . 4866 1 69 . PHE . 4866 1 70 . THR . 4866 1 71 . THR . 4866 1 72 . ARG . 4866 1 73 . ILE . 4866 1 74 . TYR . 4866 1 75 . HIS . 4866 1 76 . PRO . 4866 1 77 . ASN . 4866 1 78 . ILE . 4866 1 79 . ASN . 4866 1 80 . SER . 4866 1 81 . ASN . 4866 1 82 . GLY . 4866 1 83 . SER . 4866 1 84 . ILE . 4866 1 85 . CYS . 4866 1 86 . LEU . 4866 1 87 . ASP . 4866 1 88 . ILE . 4866 1 89 . LEU . 4866 1 90 . ARG . 4866 1 91 . SER . 4866 1 92 . GLN . 4866 1 93 . TRP . 4866 1 94 . SER . 4866 1 95 . PRO . 4866 1 96 . ALA . 4866 1 97 . LEU . 4866 1 98 . THR . 4866 1 99 . ILE . 4866 1 100 . SER . 4866 1 101 . LYS . 4866 1 102 . VAL . 4866 1 103 . LEU . 4866 1 104 . LEU . 4866 1 105 . SER . 4866 1 106 . ILE . 4866 1 107 . CYS . 4866 1 108 . SER . 4866 1 109 . LEU . 4866 1 110 . LEU . 4866 1 111 . CYS . 4866 1 112 . ASP . 4866 1 113 . PRO . 4866 1 114 . ASN . 4866 1 115 . PRO . 4866 1 116 . ASP . 4866 1 117 . ASP . 4866 1 118 . PRO . 4866 1 119 . LEU . 4866 1 120 . VAL . 4866 1 121 . PRO . 4866 1 122 . GLU . 4866 1 123 . ILE . 4866 1 124 . ALA . 4866 1 125 . ARG . 4866 1 126 . ILE . 4866 1 127 . TYR . 4866 1 128 . LYS . 4866 1 129 . THR . 4866 1 130 . ASP . 4866 1 131 . ARG . 4866 1 132 . GLU . 4866 1 133 . LYS . 4866 1 134 . TYR . 4866 1 135 . ASN . 4866 1 136 . ARG . 4866 1 137 . ILE . 4866 1 138 . ALA . 4866 1 139 . ARG . 4866 1 140 . GLU . 4866 1 141 . TRP . 4866 1 142 . THR . 4866 1 143 . GLN . 4866 1 144 . LYS . 4866 1 145 . TYR . 4866 1 146 . ALA . 4866 1 147 . MET . 4866 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 4866 1 . ALA 2 2 4866 1 . LEU 3 3 4866 1 . LYS 4 4 4866 1 . ARG 5 5 4866 1 . ILE 6 6 4866 1 . HIS 7 7 4866 1 . LYS 8 8 4866 1 . GLU 9 9 4866 1 . LEU 10 10 4866 1 . ASN 11 11 4866 1 . ASP 12 12 4866 1 . LEU 13 13 4866 1 . ALA 14 14 4866 1 . ARG 15 15 4866 1 . ASP 16 16 4866 1 . PRO 17 17 4866 1 . PRO 18 18 4866 1 . ALA 19 19 4866 1 . GLN 20 20 4866 1 . CYS 21 21 4866 1 . SER 22 22 4866 1 . ALA 23 23 4866 1 . GLY 24 24 4866 1 . PRO 25 25 4866 1 . VAL 26 26 4866 1 . GLY 27 27 4866 1 . ASP 28 28 4866 1 . ASP 29 29 4866 1 . MET 30 30 4866 1 . PHE 31 31 4866 1 . HIS 32 32 4866 1 . TRP 33 33 4866 1 . GLN 34 34 4866 1 . ALA 35 35 4866 1 . THR 36 36 4866 1 . ILE 37 37 4866 1 . MET 38 38 4866 1 . GLY 39 39 4866 1 . PRO 40 40 4866 1 . ASN 41 41 4866 1 . ASP 42 42 4866 1 . SER 43 43 4866 1 . PRO 44 44 4866 1 . TYR 45 45 4866 1 . GLN 46 46 4866 1 . GLY 47 47 4866 1 . GLY 48 48 4866 1 . VAL 49 49 4866 1 . PHE 50 50 4866 1 . PHE 51 51 4866 1 . LEU 52 52 4866 1 . THR 53 53 4866 1 . ILE 54 54 4866 1 . HIS 55 55 4866 1 . PHE 56 56 4866 1 . PRO 57 57 4866 1 . THR 58 58 4866 1 . ASP 59 59 4866 1 . TYR 60 60 4866 1 . PRO 61 61 4866 1 . PHE 62 62 4866 1 . LYS 63 63 4866 1 . PRO 64 64 4866 1 . PRO 65 65 4866 1 . LYS 66 66 4866 1 . VAL 67 67 4866 1 . ALA 68 68 4866 1 . PHE 69 69 4866 1 . THR 70 70 4866 1 . THR 71 71 4866 1 . ARG 72 72 4866 1 . ILE 73 73 4866 1 . TYR 74 74 4866 1 . HIS 75 75 4866 1 . PRO 76 76 4866 1 . ASN 77 77 4866 1 . ILE 78 78 4866 1 . ASN 79 79 4866 1 . SER 80 80 4866 1 . ASN 81 81 4866 1 . GLY 82 82 4866 1 . SER 83 83 4866 1 . ILE 84 84 4866 1 . CYS 85 85 4866 1 . LEU 86 86 4866 1 . ASP 87 87 4866 1 . ILE 88 88 4866 1 . LEU 89 89 4866 1 . ARG 90 90 4866 1 . SER 91 91 4866 1 . GLN 92 92 4866 1 . TRP 93 93 4866 1 . SER 94 94 4866 1 . PRO 95 95 4866 1 . ALA 96 96 4866 1 . LEU 97 97 4866 1 . THR 98 98 4866 1 . ILE 99 99 4866 1 . SER 100 100 4866 1 . LYS 101 101 4866 1 . VAL 102 102 4866 1 . LEU 103 103 4866 1 . LEU 104 104 4866 1 . SER 105 105 4866 1 . ILE 106 106 4866 1 . CYS 107 107 4866 1 . SER 108 108 4866 1 . LEU 109 109 4866 1 . LEU 110 110 4866 1 . CYS 111 111 4866 1 . ASP 112 112 4866 1 . PRO 113 113 4866 1 . ASN 114 114 4866 1 . PRO 115 115 4866 1 . ASP 116 116 4866 1 . ASP 117 117 4866 1 . PRO 118 118 4866 1 . LEU 119 119 4866 1 . VAL 120 120 4866 1 . PRO 121 121 4866 1 . GLU 122 122 4866 1 . ILE 123 123 4866 1 . ALA 124 124 4866 1 . ARG 125 125 4866 1 . ILE 126 126 4866 1 . TYR 127 127 4866 1 . LYS 128 128 4866 1 . THR 129 129 4866 1 . ASP 130 130 4866 1 . ARG 131 131 4866 1 . GLU 132 132 4866 1 . LYS 133 133 4866 1 . TYR 134 134 4866 1 . ASN 135 135 4866 1 . ARG 136 136 4866 1 . ILE 137 137 4866 1 . ALA 138 138 4866 1 . ARG 139 139 4866 1 . GLU 140 140 4866 1 . TRP 141 141 4866 1 . THR 142 142 4866 1 . GLN 143 143 4866 1 . LYS 144 144 4866 1 . TYR 145 145 4866 1 . ALA 146 146 4866 1 . MET 147 147 4866 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 4866 _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 $ubc4 . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4866 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 4866 _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 $ubc4 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4866 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4866 _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 'ubiquition conjugating enzyme 4' '[U-13C; U-15N]' . . 1 $ubc4 . . . . 1 mM . . . . 4866 1 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 4866 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.05 n/a 4866 1 temperature 303 0.1 K 4866 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 4866 _Software.ID 1 _Software.Name nmrPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4866 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 4866 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4866 2 visualization 4866 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 4866 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4866 3 visualization 4866 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4866 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4866 _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 Bruker AMX . 600 . . . 4866 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 4866 _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 1H-15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4866 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4866 1 3 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4866 1 4 CC-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4866 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 4866 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H-15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4866 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4866 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4866 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CC-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 4866 _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 . . . . . . . . . . 4866 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4866 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4866 1 H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . . . . . . . 4866 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_ubc4_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode ubc4_shifts _Assigned_chem_shift_list.Entry_ID 4866 _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 . 4866 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 5 5 ARG N N 15 121.33 . . . . . . . . . . . 4866 1 2 . 1 1 5 5 ARG H H 1 7.850 . . . . . . . . . . . 4866 1 3 . 1 1 5 5 ARG CA C 13 57.74 . . . . . . . . . . . 4866 1 4 . 1 1 5 5 ARG CB C 13 28.88 . . . . . . . . . . . 4866 1 5 . 1 1 6 6 ILE N N 15 121.07 . . . . . . . . . . . 4866 1 6 . 1 1 6 6 ILE H H 1 8.210 . . . . . . . . . . . 4866 1 7 . 1 1 6 6 ILE CA C 13 66.65 . . . . . . . . . . . 4866 1 8 . 1 1 6 6 ILE CB C 13 38.0 . . . . . . . . . . . 4866 1 9 . 1 1 7 7 HIS N N 15 117.25 . . . . . . . . . . . 4866 1 10 . 1 1 7 7 HIS H H 1 8.420 . . . . . . . . . . . 4866 1 11 . 1 1 7 7 HIS CA C 13 59.91 . . . . . . . . . . . 4866 1 12 . 1 1 7 7 HIS CB C 13 29.51 . . . . . . . . . . . 4866 1 13 . 1 1 8 8 LYS N N 15 121.64 . . . . . . . . . . . 4866 1 14 . 1 1 8 8 LYS H H 1 8.020 . . . . . . . . . . . 4866 1 15 . 1 1 8 8 LYS CA C 13 59.85 . . . . . . . . . . . 4866 1 16 . 1 1 8 8 LYS CB C 13 32.49 . . . . . . . . . . . 4866 1 17 . 1 1 9 9 GLU N N 15 119.02 . . . . . . . . . . . 4866 1 18 . 1 1 9 9 GLU H H 1 8.520 . . . . . . . . . . . 4866 1 19 . 1 1 9 9 GLU CA C 13 60.62 . . . . . . . . . . . 4866 1 20 . 1 1 9 9 GLU CB C 13 29.47 . . . . . . . . . . . 4866 1 21 . 1 1 10 10 LEU N N 15 120.36 . . . . . . . . . . . 4866 1 22 . 1 1 10 10 LEU H H 1 8.460 . . . . . . . . . . . 4866 1 23 . 1 1 10 10 LEU CA C 13 58.05 . . . . . . . . . . . 4866 1 24 . 1 1 10 10 LEU CB C 13 41.44 . . . . . . . . . . . 4866 1 25 . 1 1 11 11 ASN N N 15 118.68 . . . . . . . . . . . 4866 1 26 . 1 1 11 11 ASN H H 1 8.190 . . . . . . . . . . . 4866 1 27 . 1 1 11 11 ASN CA C 13 56.23 . . . . . . . . . . . 4866 1 28 . 1 1 11 11 ASN CB C 13 38.37 . . . . . . . . . . . 4866 1 29 . 1 1 12 12 ASP N N 15 121.58 . . . . . . . . . . . 4866 1 30 . 1 1 12 12 ASP H H 1 8.730 . . . . . . . . . . . 4866 1 31 . 1 1 12 12 ASP CA C 13 57.49 . . . . . . . . . . . 4866 1 32 . 1 1 12 12 ASP CB C 13 40.37 . . . . . . . . . . . 4866 1 33 . 1 1 13 13 LEU N N 15 121.99 . . . . . . . . . . . 4866 1 34 . 1 1 13 13 LEU H H 1 8.200 . . . . . . . . . . . 4866 1 35 . 1 1 13 13 LEU CA C 13 57.82 . . . . . . . . . . . 4866 1 36 . 1 1 13 13 LEU CB C 13 42.21 . . . . . . . . . . . 4866 1 37 . 1 1 14 14 ALA N N 15 118.51 . . . . . . . . . . . 4866 1 38 . 1 1 14 14 ALA H H 1 7.850 . . . . . . . . . . . 4866 1 39 . 1 1 14 14 ALA CA C 13 53.98 . . . . . . . . . . . 4866 1 40 . 1 1 14 14 ALA CB C 13 18.39 . . . . . . . . . . . 4866 1 41 . 1 1 15 15 ARG N N 15 116.19 . . . . . . . . . . . 4866 1 42 . 1 1 15 15 ARG H H 1 7.550 . . . . . . . . . . . 4866 1 43 . 1 1 15 15 ARG CA C 13 57.72 . . . . . . . . . . . 4866 1 44 . 1 1 15 15 ARG CB C 13 31.16 . . . . . . . . . . . 4866 1 45 . 1 1 16 16 ASP N N 15 117.05 . . . . . . . . . . . 4866 1 46 . 1 1 16 16 ASP H H 1 7.770 . . . . . . . . . . . 4866 1 47 . 1 1 16 16 ASP CA C 13 51.83 . . . . . . . . . . . 4866 1 48 . 1 1 16 16 ASP CB C 13 41.20 . . . . . . . . . . . 4866 1 49 . 1 1 19 19 ALA N N 15 125.39 . . . . . . . . . . . 4866 1 50 . 1 1 19 19 ALA H H 1 8.500 . . . . . . . . . . . 4866 1 51 . 1 1 19 19 ALA CA C 13 53.75 . . . . . . . . . . . 4866 1 52 . 1 1 19 19 ALA CB C 13 18.46 . . . . . . . . . . . 4866 1 53 . 1 1 20 20 GLN N N 15 112.75 . . . . . . . . . . . 4866 1 54 . 1 1 20 20 GLN H H 1 8.580 . . . . . . . . . . . 4866 1 55 . 1 1 20 20 GLN CA C 13 57.52 . . . . . . . . . . . 4866 1 56 . 1 1 20 20 GLN CB C 13 28.05 . . . . . . . . . . . 4866 1 57 . 1 1 21 21 CYS N N 15 114.59 . . . . . . . . . . . 4866 1 58 . 1 1 21 21 CYS H H 1 7.720 . . . . . . . . . . . 4866 1 59 . 1 1 21 21 CYS CA C 13 57.33 . . . . . . . . . . . 4866 1 60 . 1 1 21 21 CYS CB C 13 31.74 . . . . . . . . . . . 4866 1 61 . 1 1 22 22 SER N N 15 114.46 . . . . . . . . . . . 4866 1 62 . 1 1 22 22 SER H H 1 8.570 . . . . . . . . . . . 4866 1 63 . 1 1 22 22 SER CA C 13 57.34 . . . . . . . . . . . 4866 1 64 . 1 1 22 22 SER CB C 13 65.63 . . . . . . . . . . . 4866 1 65 . 1 1 23 23 ALA N N 15 121.77 . . . . . . . . . . . 4866 1 66 . 1 1 23 23 ALA H H 1 8.370 . . . . . . . . . . . 4866 1 67 . 1 1 23 23 ALA CA C 13 52.29 . . . . . . . . . . . 4866 1 68 . 1 1 23 23 ALA CB C 13 23.34 . . . . . . . . . . . 4866 1 69 . 1 1 24 24 GLY N N 15 104.35 . . . . . . . . . . . 4866 1 70 . 1 1 24 24 GLY H H 1 8.160 . . . . . . . . . . . 4866 1 71 . 1 1 24 24 GLY CA C 13 45.10 . . . . . . . . . . . 4866 1 72 . 1 1 26 26 VAL N N 15 122.59 . . . . . . . . . . . 4866 1 73 . 1 1 26 26 VAL H H 1 8.530 . . . . . . . . . . . 4866 1 74 . 1 1 26 26 VAL CA C 13 62.54 . . . . . . . . . . . 4866 1 75 . 1 1 26 26 VAL CB C 13 31.48 . . . . . . . . . . . 4866 1 76 . 1 1 27 27 GLY N N 15 116.82 . . . . . . . . . . . 4866 1 77 . 1 1 27 27 GLY H H 1 8.710 . . . . . . . . . . . 4866 1 78 . 1 1 27 27 GLY CA C 13 46.46 . . . . . . . . . . . 4866 1 79 . 1 1 28 28 ASP N N 15 122.89 . . . . . . . . . . . 4866 1 80 . 1 1 28 28 ASP H H 1 8.550 . . . . . . . . . . . 4866 1 81 . 1 1 28 28 ASP CA C 13 54.06 . . . . . . . . . . . 4866 1 82 . 1 1 28 28 ASP CB C 13 40.77 . . . . . . . . . . . 4866 1 83 . 1 1 29 29 ASP N N 15 119.81 . . . . . . . . . . . 4866 1 84 . 1 1 29 29 ASP H H 1 7.900 . . . . . . . . . . . 4866 1 85 . 1 1 29 29 ASP CA C 13 52.88 . . . . . . . . . . . 4866 1 86 . 1 1 29 29 ASP CB C 13 41.40 . . . . . . . . . . . 4866 1 87 . 1 1 30 30 MET N N 15 121.95 . . . . . . . . . . . 4866 1 88 . 1 1 30 30 MET H H 1 8.580 . . . . . . . . . . . 4866 1 89 . 1 1 30 30 MET CA C 13 55.34 . . . . . . . . . . . 4866 1 90 . 1 1 30 30 MET CB C 13 31.49 . . . . . . . . . . . 4866 1 91 . 1 1 31 31 PHE N N 15 112.01 . . . . . . . . . . . 4866 1 92 . 1 1 31 31 PHE H H 1 8.420 . . . . . . . . . . . 4866 1 93 . 1 1 31 31 PHE CA C 13 59.34 . . . . . . . . . . . 4866 1 94 . 1 1 31 31 PHE CB C 13 38.44 . . . . . . . . . . . 4866 1 95 . 1 1 32 32 HIS N N 15 120.22 . . . . . . . . . . . 4866 1 96 . 1 1 32 32 HIS H H 1 7.860 . . . . . . . . . . . 4866 1 97 . 1 1 32 32 HIS CA C 13 54.26 . . . . . . . . . . . 4866 1 98 . 1 1 32 32 HIS CB C 13 31.28 . . . . . . . . . . . 4866 1 99 . 1 1 33 33 TRP N N 15 123.89 . . . . . . . . . . . 4866 1 100 . 1 1 33 33 TRP H H 1 9.700 . . . . . . . . . . . 4866 1 101 . 1 1 33 33 TRP CA C 13 54.14 . . . . . . . . . . . 4866 1 102 . 1 1 33 33 TRP CB C 13 33.28 . . . . . . . . . . . 4866 1 103 . 1 1 34 34 GLN N N 15 119.65 . . . . . . . . . . . 4866 1 104 . 1 1 34 34 GLN H H 1 8.830 . . . . . . . . . . . 4866 1 105 . 1 1 34 34 GLN CA C 13 54.02 . . . . . . . . . . . 4866 1 106 . 1 1 34 34 GLN CB C 13 32.34 . . . . . . . . . . . 4866 1 107 . 1 1 35 35 ALA N N 15 124.87 . . . . . . . . . . . 4866 1 108 . 1 1 35 35 ALA H H 1 8.840 . . . . . . . . . . . 4866 1 109 . 1 1 35 35 ALA CA C 13 50.39 . . . . . . . . . . . 4866 1 110 . 1 1 35 35 ALA CB C 13 23.92 . . . . . . . . . . . 4866 1 111 . 1 1 36 36 THR N N 15 113.44 . . . . . . . . . . . 4866 1 112 . 1 1 36 36 THR H H 1 8.880 . . . . . . . . . . . 4866 1 113 . 1 1 36 36 THR CA C 13 60.12 . . . . . . . . . . . 4866 1 114 . 1 1 36 36 THR CB C 13 71.52 . . . . . . . . . . . 4866 1 115 . 1 1 37 37 ILE N N 15 122.08 . . . . . . . . . . . 4866 1 116 . 1 1 37 37 ILE H H 1 9.130 . . . . . . . . . . . 4866 1 117 . 1 1 37 37 ILE CA C 13 59.92 . . . . . . . . . . . 4866 1 118 . 1 1 37 37 ILE CB C 13 42.48 . . . . . . . . . . . 4866 1 119 . 1 1 38 38 MET N N 15 125.06 . . . . . . . . . . . 4866 1 120 . 1 1 38 38 MET H H 1 8.310 . . . . . . . . . . . 4866 1 121 . 1 1 38 38 MET CA C 13 54.02 . . . . . . . . . . . 4866 1 122 . 1 1 38 38 MET CB C 13 32.6 . . . . . . . . . . . 4866 1 123 . 1 1 39 39 GLY N N 15 110.39 . . . . . . . . . . . 4866 1 124 . 1 1 39 39 GLY H H 1 9.240 . . . . . . . . . . . 4866 1 125 . 1 1 39 39 GLY CA C 13 44.29 . . . . . . . . . . . 4866 1 126 . 1 1 41 41 ASN N N 15 122.84 . . . . . . . . . . . 4866 1 127 . 1 1 41 41 ASN H H 1 8.970 . . . . . . . . . . . 4866 1 128 . 1 1 41 41 ASN CA C 13 55.03 . . . . . . . . . . . 4866 1 129 . 1 1 41 41 ASN CB C 13 38.38 . . . . . . . . . . . 4866 1 130 . 1 1 42 42 ASP N N 15 116.90 . . . . . . . . . . . 4866 1 131 . 1 1 42 42 ASP H H 1 8.870 . . . . . . . . . . . 4866 1 132 . 1 1 42 42 ASP CA C 13 54.90 . . . . . . . . . . . 4866 1 133 . 1 1 42 42 ASP CB C 13 38.98 . . . . . . . . . . . 4866 1 134 . 1 1 43 43 SER N N 15 114.61 . . . . . . . . . . . 4866 1 135 . 1 1 43 43 SER H H 1 7.900 . . . . . . . . . . . 4866 1 136 . 1 1 43 43 SER CA C 13 56.96 . . . . . . . . . . . 4866 1 137 . 1 1 43 43 SER CB C 13 66.01 . . . . . . . . . . . 4866 1 138 . 1 1 45 45 TYR N N 15 116.98 . . . . . . . . . . . 4866 1 139 . 1 1 45 45 TYR H H 1 7.360 . . . . . . . . . . . 4866 1 140 . 1 1 45 45 TYR CA C 13 55.70 . . . . . . . . . . . 4866 1 141 . 1 1 45 45 TYR CB C 13 38.41 . . . . . . . . . . . 4866 1 142 . 1 1 46 46 GLN N N 15 121.55 . . . . . . . . . . . 4866 1 143 . 1 1 46 46 GLN H H 1 7.280 . . . . . . . . . . . 4866 1 144 . 1 1 46 46 GLN CA C 13 57.95 . . . . . . . . . . . 4866 1 145 . 1 1 46 46 GLN CB C 13 28.82 . . . . . . . . . . . 4866 1 146 . 1 1 47 47 GLY N N 15 116.45 . . . . . . . . . . . 4866 1 147 . 1 1 47 47 GLY H H 1 9.210 . . . . . . . . . . . 4866 1 148 . 1 1 47 47 GLY CA C 13 45.15 . . . . . . . . . . . 4866 1 149 . 1 1 48 48 GLY N N 15 106.79 . . . . . . . . . . . 4866 1 150 . 1 1 48 48 GLY H H 1 8.500 . . . . . . . . . . . 4866 1 151 . 1 1 48 48 GLY CA C 13 44.80 . . . . . . . . . . . 4866 1 152 . 1 1 49 49 VAL N N 15 125.02 . . . . . . . . . . . 4866 1 153 . 1 1 49 49 VAL H H 1 8.840 . . . . . . . . . . . 4866 1 154 . 1 1 49 49 VAL CA C 13 62.38 . . . . . . . . . . . 4866 1 155 . 1 1 49 49 VAL CB C 13 33.08 . . . . . . . . . . . 4866 1 156 . 1 1 50 50 PHE N N 15 123.94 . . . . . . . . . . . 4866 1 157 . 1 1 50 50 PHE H H 1 8.740 . . . . . . . . . . . 4866 1 158 . 1 1 50 50 PHE CA C 13 56.25 . . . . . . . . . . . 4866 1 159 . 1 1 50 50 PHE CB C 13 41.42 . . . . . . . . . . . 4866 1 160 . 1 1 51 51 PHE N N 15 121.20 . . . . . . . . . . . 4866 1 161 . 1 1 51 51 PHE H H 1 9.280 . . . . . . . . . . . 4866 1 162 . 1 1 51 51 PHE CA C 13 56.86 . . . . . . . . . . . 4866 1 163 . 1 1 51 51 PHE CB C 13 40.79 . . . . . . . . . . . 4866 1 164 . 1 1 52 52 LEU N N 15 120.63 . . . . . . . . . . . 4866 1 165 . 1 1 52 52 LEU H H 1 9.150 . . . . . . . . . . . 4866 1 166 . 1 1 52 52 LEU CA C 13 54.47 . . . . . . . . . . . 4866 1 167 . 1 1 52 52 LEU CB C 13 45.98 . . . . . . . . . . . 4866 1 168 . 1 1 53 53 THR N N 15 114.64 . . . . . . . . . . . 4866 1 169 . 1 1 53 53 THR H H 1 9.260 . . . . . . . . . . . 4866 1 170 . 1 1 53 53 THR CA C 13 60.14 . . . . . . . . . . . 4866 1 171 . 1 1 53 53 THR CB C 13 71.17 . . . . . . . . . . . 4866 1 172 . 1 1 54 54 ILE N N 15 123.12 . . . . . . . . . . . 4866 1 173 . 1 1 54 54 ILE H H 1 8.370 . . . . . . . . . . . 4866 1 174 . 1 1 54 54 ILE CA C 13 59.86 . . . . . . . . . . . 4866 1 175 . 1 1 54 54 ILE CB C 13 41.45 . . . . . . . . . . . 4866 1 176 . 1 1 55 55 HIS N N 15 125.98 . . . . . . . . . . . 4866 1 177 . 1 1 55 55 HIS H H 1 9.08 . . . . . . . . . . . 4866 1 178 . 1 1 55 55 HIS CA C 13 53.52 . . . . . . . . . . . 4866 1 179 . 1 1 55 55 HIS CB C 13 31.88 . . . . . . . . . . . 4866 1 180 . 1 1 56 56 PHE N N 15 127.04 . . . . . . . . . . . 4866 1 181 . 1 1 56 56 PHE H H 1 9.140 . . . . . . . . . . . 4866 1 182 . 1 1 56 56 PHE CA C 13 56.05 . . . . . . . . . . . 4866 1 183 . 1 1 56 56 PHE CB C 13 39.88 . . . . . . . . . . . 4866 1 184 . 1 1 58 58 THR N N 15 111.87 . . . . . . . . . . . 4866 1 185 . 1 1 58 58 THR H H 1 8.570 . . . . . . . . . . . 4866 1 186 . 1 1 58 58 THR CA C 13 65.07 . . . . . . . . . . . 4866 1 187 . 1 1 58 58 THR CB C 13 68.39 . . . . . . . . . . . 4866 1 188 . 1 1 59 59 ASP N N 15 115.20 . . . . . . . . . . . 4866 1 189 . 1 1 59 59 ASP H H 1 8.530 . . . . . . . . . . . 4866 1 190 . 1 1 59 59 ASP CA C 13 52.32 . . . . . . . . . . . 4866 1 191 . 1 1 59 59 ASP CB C 13 38.89 . . . . . . . . . . . 4866 1 192 . 1 1 60 60 TYR N N 15 123.47 . . . . . . . . . . . 4866 1 193 . 1 1 60 60 TYR H H 1 7.720 . . . . . . . . . . . 4866 1 194 . 1 1 60 60 TYR CA C 13 58.43 . . . . . . . . . . . 4866 1 195 . 1 1 60 60 TYR CB C 13 39.75 . . . . . . . . . . . 4866 1 196 . 1 1 62 62 PHE N N 15 125.24 . . . . . . . . . . . 4866 1 197 . 1 1 62 62 PHE H H 1 9.040 . . . . . . . . . . . 4866 1 198 . 1 1 62 62 PHE CA C 13 60.74 . . . . . . . . . . . 4866 1 199 . 1 1 62 62 PHE CB C 13 37.77 . . . . . . . . . . . 4866 1 200 . 1 1 63 63 LYS N N 15 118.42 . . . . . . . . . . . 4866 1 201 . 1 1 63 63 LYS H H 1 7.070 . . . . . . . . . . . 4866 1 202 . 1 1 63 63 LYS CA C 13 52.18 . . . . . . . . . . . 4866 1 203 . 1 1 63 63 LYS CB C 13 34.89 . . . . . . . . . . . 4866 1 204 . 1 1 66 66 LYS N N 15 120.57 . . . . . . . . . . . 4866 1 205 . 1 1 66 66 LYS H H 1 8.270 . . . . . . . . . . . 4866 1 206 . 1 1 66 66 LYS CA C 13 54.95 . . . . . . . . . . . 4866 1 207 . 1 1 66 66 LYS CB C 13 32.98 . . . . . . . . . . . 4866 1 208 . 1 1 67 67 VAL N N 15 127.66 . . . . . . . . . . . 4866 1 209 . 1 1 67 67 VAL H H 1 8.750 . . . . . . . . . . . 4866 1 210 . 1 1 67 67 VAL CA C 13 60.38 . . . . . . . . . . . 4866 1 211 . 1 1 67 67 VAL CB C 13 33.95 . . . . . . . . . . . 4866 1 212 . 1 1 68 68 ALA N N 15 127.23 . . . . . . . . . . . 4866 1 213 . 1 1 68 68 ALA H H 1 8.490 . . . . . . . . . . . 4866 1 214 . 1 1 68 68 ALA CA C 13 50.79 . . . . . . . . . . . 4866 1 215 . 1 1 68 68 ALA CB C 13 22.15 . . . . . . . . . . . 4866 1 216 . 1 1 69 69 PHE N N 15 122.37 . . . . . . . . . . . 4866 1 217 . 1 1 69 69 PHE H H 1 9.800 . . . . . . . . . . . 4866 1 218 . 1 1 69 69 PHE CA C 13 59.17 . . . . . . . . . . . 4866 1 219 . 1 1 69 69 PHE CB C 13 40.13 . . . . . . . . . . . 4866 1 220 . 1 1 70 70 THR N N 15 116.46 . . . . . . . . . . . 4866 1 221 . 1 1 70 70 THR H H 1 9.540 . . . . . . . . . . . 4866 1 222 . 1 1 70 70 THR CA C 13 63.02 . . . . . . . . . . . 4866 1 223 . 1 1 71 71 THR N N 15 121.70 . . . . . . . . . . . 4866 1 224 . 1 1 71 71 THR H H 1 7.560 . . . . . . . . . . . 4866 1 225 . 1 1 71 71 THR CA C 13 63.52 . . . . . . . . . . . 4866 1 226 . 1 1 71 71 THR CB C 13 71.25 . . . . . . . . . . . 4866 1 227 . 1 1 72 72 ARG N N 15 127.88 . . . . . . . . . . . 4866 1 228 . 1 1 72 72 ARG H H 1 8.590 . . . . . . . . . . . 4866 1 229 . 1 1 72 72 ARG CA C 13 57.06 . . . . . . . . . . . 4866 1 230 . 1 1 72 72 ARG CB C 13 30.46 . . . . . . . . . . . 4866 1 231 . 1 1 73 73 ILE N N 15 120.38 . . . . . . . . . . . 4866 1 232 . 1 1 73 73 ILE H H 1 8.370 . . . . . . . . . . . 4866 1 233 . 1 1 73 73 ILE CA C 13 60.26 . . . . . . . . . . . 4866 1 234 . 1 1 73 73 ILE CB C 13 40.89 . . . . . . . . . . . 4866 1 235 . 1 1 74 74 TYR N N 15 131.90 . . . . . . . . . . . 4866 1 236 . 1 1 74 74 TYR H H 1 8.67 . . . . . . . . . . . 4866 1 237 . 1 1 74 74 TYR CA C 13 57.79 . . . . . . . . . . . 4866 1 238 . 1 1 74 74 TYR CB C 13 37.73 . . . . . . . . . . . 4866 1 239 . 1 1 75 75 HIS N N 15 129.35 . . . . . . . . . . . 4866 1 240 . 1 1 75 75 HIS H H 1 8.490 . . . . . . . . . . . 4866 1 241 . 1 1 75 75 HIS CA C 13 55.72 . . . . . . . . . . . 4866 1 242 . 1 1 75 75 HIS CB C 13 35.61 . . . . . . . . . . . 4866 1 243 . 1 1 77 77 ASN N N 15 118.52 . . . . . . . . . . . 4866 1 244 . 1 1 77 77 ASN H H 1 11.51 . . . . . . . . . . . 4866 1 245 . 1 1 77 77 ASN CA C 13 54.44 . . . . . . . . . . . 4866 1 246 . 1 1 77 77 ASN CB C 13 41.72 . . . . . . . . . . . 4866 1 247 . 1 1 78 78 ILE N N 15 120.34 . . . . . . . . . . . 4866 1 248 . 1 1 78 78 ILE H H 1 7.220 . . . . . . . . . . . 4866 1 249 . 1 1 78 78 ILE CA C 13 59.87 . . . . . . . . . . . 4866 1 250 . 1 1 78 78 ILE CB C 13 41.91 . . . . . . . . . . . 4866 1 251 . 1 1 79 79 ASN N N 15 121.58 . . . . . . . . . . . 4866 1 252 . 1 1 79 79 ASN H H 1 7.970 . . . . . . . . . . . 4866 1 253 . 1 1 79 79 ASN CA C 13 50.54 . . . . . . . . . . . 4866 1 254 . 1 1 79 79 ASN CB C 13 39.85 . . . . . . . . . . . 4866 1 255 . 1 1 80 80 SER N N 15 113.85 . . . . . . . . . . . 4866 1 256 . 1 1 80 80 SER H H 1 8.660 . . . . . . . . . . . 4866 1 257 . 1 1 80 80 SER CA C 13 60.87 . . . . . . . . . . . 4866 1 258 . 1 1 80 80 SER CB C 13 62.86 . . . . . . . . . . . 4866 1 259 . 1 1 81 81 ASN N N 15 118.23 . . . . . . . . . . . 4866 1 260 . 1 1 81 81 ASN H H 1 7.610 . . . . . . . . . . . 4866 1 261 . 1 1 81 81 ASN CA C 13 53.00 . . . . . . . . . . . 4866 1 262 . 1 1 81 81 ASN CB C 13 38.98 . . . . . . . . . . . 4866 1 263 . 1 1 82 82 GLY N N 15 109.88 . . . . . . . . . . . 4866 1 264 . 1 1 82 82 GLY H H 1 8.430 . . . . . . . . . . . 4866 1 265 . 1 1 82 82 GLY CA C 13 45.96 . . . . . . . . . . . 4866 1 266 . 1 1 83 83 SER N N 15 115.44 . . . . . . . . . . . 4866 1 267 . 1 1 83 83 SER H H 1 7.770 . . . . . . . . . . . 4866 1 268 . 1 1 83 83 SER CA C 13 59.11 . . . . . . . . . . . 4866 1 269 . 1 1 83 83 SER CB C 13 63.21 . . . . . . . . . . . 4866 1 270 . 1 1 84 84 ILE N N 15 119.74 . . . . . . . . . . . 4866 1 271 . 1 1 84 84 ILE H H 1 8.510 . . . . . . . . . . . 4866 1 272 . 1 1 84 84 ILE CA C 13 59.53 . . . . . . . . . . . 4866 1 273 . 1 1 84 84 ILE CB C 13 41.76 . . . . . . . . . . . 4866 1 274 . 1 1 85 85 CYS N N 15 127.67 . . . . . . . . . . . 4866 1 275 . 1 1 85 85 CYS H H 1 8.660 . . . . . . . . . . . 4866 1 276 . 1 1 85 85 CYS CA C 13 57.28 . . . . . . . . . . . 4866 1 277 . 1 1 85 85 CYS CB C 13 26.14 . . . . . . . . . . . 4866 1 278 . 1 1 86 86 LEU N N 15 126.92 . . . . . . . . . . . 4866 1 279 . 1 1 86 86 LEU H H 1 7.300 . . . . . . . . . . . 4866 1 280 . 1 1 86 86 LEU CA C 13 53.91 . . . . . . . . . . . 4866 1 281 . 1 1 86 86 LEU CB C 13 46.05 . . . . . . . . . . . 4866 1 282 . 1 1 87 87 ASP N N 15 129.33 . . . . . . . . . . . 4866 1 283 . 1 1 87 87 ASP H H 1 9.310 . . . . . . . . . . . 4866 1 284 . 1 1 87 87 ASP CA C 13 58.49 . . . . . . . . . . . 4866 1 285 . 1 1 87 87 ASP CB C 13 39.29 . . . . . . . . . . . 4866 1 286 . 1 1 88 88 ILE N N 15 116.23 . . . . . . . . . . . 4866 1 287 . 1 1 88 88 ILE H H 1 8.430 . . . . . . . . . . . 4866 1 288 . 1 1 88 88 ILE CA C 13 64.61 . . . . . . . . . . . 4866 1 289 . 1 1 88 88 ILE CB C 13 38.05 . . . . . . . . . . . 4866 1 290 . 1 1 89 89 LEU N N 15 113.54 . . . . . . . . . . . 4866 1 291 . 1 1 89 89 LEU H H 1 7.170 . . . . . . . . . . . 4866 1 292 . 1 1 89 89 LEU CA C 13 53.98 . . . . . . . . . . . 4866 1 293 . 1 1 89 89 LEU CB C 13 41.86 . . . . . . . . . . . 4866 1 294 . 1 1 90 90 ARG N N 15 121.14 . . . . . . . . . . . 4866 1 295 . 1 1 90 90 ARG H H 1 7.900 . . . . . . . . . . . 4866 1 296 . 1 1 90 90 ARG CA C 13 56.32 . . . . . . . . . . . 4866 1 297 . 1 1 90 90 ARG CB C 13 31.26 . . . . . . . . . . . 4866 1 298 . 1 1 91 91 SER N N 15 117.17 . . . . . . . . . . . 4866 1 299 . 1 1 91 91 SER H H 1 8.260 . . . . . . . . . . . 4866 1 300 . 1 1 91 91 SER CA C 13 60.80 . . . . . . . . . . . 4866 1 301 . 1 1 91 91 SER CB C 13 63.56 . . . . . . . . . . . 4866 1 302 . 1 1 92 92 GLN N N 15 117.61 . . . . . . . . . . . 4866 1 303 . 1 1 92 92 GLN H H 1 7.850 . . . . . . . . . . . 4866 1 304 . 1 1 92 92 GLN CA C 13 54.42 . . . . . . . . . . . 4866 1 305 . 1 1 92 92 GLN CB C 13 28.35 . . . . . . . . . . . 4866 1 306 . 1 1 93 93 TRP N N 15 121.16 . . . . . . . . . . . 4866 1 307 . 1 1 93 93 TRP H H 1 7.430 . . . . . . . . . . . 4866 1 308 . 1 1 93 93 TRP CA C 13 59.38 . . . . . . . . . . . 4866 1 309 . 1 1 93 93 TRP CB C 13 29.78 . . . . . . . . . . . 4866 1 310 . 1 1 94 94 SER N N 15 120.85 . . . . . . . . . . . 4866 1 311 . 1 1 94 94 SER H H 1 5.550 . . . . . . . . . . . 4866 1 312 . 1 1 94 94 SER CA C 13 54.50 . . . . . . . . . . . 4866 1 313 . 1 1 94 94 SER CB C 13 64.97 . . . . . . . . . . . 4866 1 314 . 1 1 96 96 ALA N N 15 118.48 . . . . . . . . . . . 4866 1 315 . 1 1 96 96 ALA H H 1 7.270 . . . . . . . . . . . 4866 1 316 . 1 1 96 96 ALA CA C 13 52.54 . . . . . . . . . . . 4866 1 317 . 1 1 96 96 ALA CB C 13 18.80 . . . . . . . . . . . 4866 1 318 . 1 1 97 97 LEU N N 15 119.48 . . . . . . . . . . . 4866 1 319 . 1 1 97 97 LEU H H 1 7.330 . . . . . . . . . . . 4866 1 320 . 1 1 97 97 LEU CA C 13 54.58 . . . . . . . . . . . 4866 1 321 . 1 1 97 97 LEU CB C 13 42.21 . . . . . . . . . . . 4866 1 322 . 1 1 98 98 THR N N 15 101.64 . . . . . . . . . . . 4866 1 323 . 1 1 98 98 THR H H 1 6.100 . . . . . . . . . . . 4866 1 324 . 1 1 98 98 THR CA C 13 58.01 . . . . . . . . . . . 4866 1 325 . 1 1 98 98 THR CB C 13 72.95 . . . . . . . . . . . 4866 1 326 . 1 1 99 99 ILE N N 15 122.53 . . . . . . . . . . . 4866 1 327 . 1 1 99 99 ILE H H 1 10.38 . . . . . . . . . . . 4866 1 328 . 1 1 99 99 ILE CA C 13 60.91 . . . . . . . . . . . 4866 1 329 . 1 1 99 99 ILE CB C 13 35.78 . . . . . . . . . . . 4866 1 330 . 1 1 100 100 SER N N 15 116.76 . . . . . . . . . . . 4866 1 331 . 1 1 100 100 SER H H 1 8.530 . . . . . . . . . . . 4866 1 332 . 1 1 100 100 SER CA C 13 62.64 . . . . . . . . . . . 4866 1 333 . 1 1 101 101 LYS N N 15 119.58 . . . . . . . . . . . 4866 1 334 . 1 1 101 101 LYS H H 1 7.530 . . . . . . . . . . . 4866 1 335 . 1 1 101 101 LYS CA C 13 58.89 . . . . . . . . . . . 4866 1 336 . 1 1 101 101 LYS CB C 13 32.26 . . . . . . . . . . . 4866 1 337 . 1 1 102 102 VAL N N 15 121.95 . . . . . . . . . . . 4866 1 338 . 1 1 102 102 VAL H H 1 8.420 . . . . . . . . . . . 4866 1 339 . 1 1 102 102 VAL CA C 13 67.16 . . . . . . . . . . . 4866 1 340 . 1 1 102 102 VAL CB C 13 31.70 . . . . . . . . . . . 4866 1 341 . 1 1 103 103 LEU N N 15 119.16 . . . . . . . . . . . 4866 1 342 . 1 1 103 103 LEU H H 1 8.700 . . . . . . . . . . . 4866 1 343 . 1 1 103 103 LEU CA C 13 58.45 . . . . . . . . . . . 4866 1 344 . 1 1 103 103 LEU CB C 13 40.81 . . . . . . . . . . . 4866 1 345 . 1 1 104 104 LEU N N 15 119.62 . . . . . . . . . . . 4866 1 346 . 1 1 104 104 LEU H H 1 8.360 . . . . . . . . . . . 4866 1 347 . 1 1 104 104 LEU CA C 13 58.45 . . . . . . . . . . . 4866 1 348 . 1 1 104 104 LEU CB C 13 41.71 . . . . . . . . . . . 4866 1 349 . 1 1 105 105 SER N N 15 117.44 . . . . . . . . . . . 4866 1 350 . 1 1 105 105 SER H H 1 8.260 . . . . . . . . . . . 4866 1 351 . 1 1 105 105 SER CA C 13 62.90 . . . . . . . . . . . 4866 1 352 . 1 1 106 106 ILE N N 15 124.36 . . . . . . . . . . . 4866 1 353 . 1 1 106 106 ILE H H 1 8.360 . . . . . . . . . . . 4866 1 354 . 1 1 106 106 ILE CA C 13 65.85 . . . . . . . . . . . 4866 1 355 . 1 1 106 106 ILE CB C 13 37.61 . . . . . . . . . . . 4866 1 356 . 1 1 107 107 CYS N N 15 118.77 . . . . . . . . . . . 4866 1 357 . 1 1 107 107 CYS H H 1 8.260 . . . . . . . . . . . 4866 1 358 . 1 1 107 107 CYS CA C 13 65.39 . . . . . . . . . . . 4866 1 359 . 1 1 107 107 CYS CB C 13 26.28 . . . . . . . . . . . 4866 1 360 . 1 1 108 108 SER N N 15 114.20 . . . . . . . . . . . 4866 1 361 . 1 1 108 108 SER H H 1 8.140 . . . . . . . . . . . 4866 1 362 . 1 1 108 108 SER CA C 13 56.70 . . . . . . . . . . . 4866 1 363 . 1 1 108 108 SER CB C 13 63.26 . . . . . . . . . . . 4866 1 364 . 1 1 109 109 LEU N N 15 124.04 . . . . . . . . . . . 4866 1 365 . 1 1 109 109 LEU H H 1 7.850 . . . . . . . . . . . 4866 1 366 . 1 1 109 109 LEU CA C 13 56.38 . . . . . . . . . . . 4866 1 367 . 1 1 109 109 LEU CB C 13 42.51 . . . . . . . . . . . 4866 1 368 . 1 1 110 110 LEU N N 15 118.93 . . . . . . . . . . . 4866 1 369 . 1 1 110 110 LEU H H 1 7.970 . . . . . . . . . . . 4866 1 370 . 1 1 110 110 LEU CA C 13 58.64 . . . . . . . . . . . 4866 1 371 . 1 1 110 110 LEU CB C 13 40.78 . . . . . . . . . . . 4866 1 372 . 1 1 111 111 CYS N N 15 113.70 . . . . . . . . . . . 4866 1 373 . 1 1 111 111 CYS H H 1 7.240 . . . . . . . . . . . 4866 1 374 . 1 1 111 111 CYS CA C 13 61.75 . . . . . . . . . . . 4866 1 375 . 1 1 111 111 CYS CB C 13 27.73 . . . . . . . . . . . 4866 1 376 . 1 1 112 112 ASP N N 15 118.87 . . . . . . . . . . . 4866 1 377 . 1 1 112 112 ASP H H 1 8.170 . . . . . . . . . . . 4866 1 378 . 1 1 112 112 ASP CA C 13 52.08 . . . . . . . . . . . 4866 1 379 . 1 1 112 112 ASP CB C 13 41.97 . . . . . . . . . . . 4866 1 380 . 1 1 114 114 ASN N N 15 114.99 . . . . . . . . . . . 4866 1 381 . 1 1 114 114 ASN H H 1 8.630 . . . . . . . . . . . 4866 1 382 . 1 1 114 114 ASN CA C 13 49.02 . . . . . . . . . . . 4866 1 383 . 1 1 114 114 ASN CB C 13 38.75 . . . . . . . . . . . 4866 1 384 . 1 1 116 116 ASP N N 15 118.06 . . . . . . . . . . . 4866 1 385 . 1 1 116 116 ASP H H 1 7.710 . . . . . . . . . . . 4866 1 386 . 1 1 116 116 ASP CA C 13 55.26 . . . . . . . . . . . 4866 1 387 . 1 1 116 116 ASP CB C 13 40.53 . . . . . . . . . . . 4866 1 388 . 1 1 117 117 ASP N N 15 118.46 . . . . . . . . . . . 4866 1 389 . 1 1 117 117 ASP H H 1 6.700 . . . . . . . . . . . 4866 1 390 . 1 1 117 117 ASP CA C 13 51.47 . . . . . . . . . . . 4866 1 391 . 1 1 117 117 ASP CB C 13 40.95 . . . . . . . . . . . 4866 1 392 . 1 1 119 119 LEU N N 15 117.92 . . . . . . . . . . . 4866 1 393 . 1 1 119 119 LEU H H 1 8.650 . . . . . . . . . . . 4866 1 394 . 1 1 119 119 LEU CA C 13 55.20 . . . . . . . . . . . 4866 1 395 . 1 1 119 119 LEU CB C 13 44.27 . . . . . . . . . . . 4866 1 396 . 1 1 120 120 VAL N N 15 118.01 . . . . . . . . . . . 4866 1 397 . 1 1 120 120 VAL H H 1 7.450 . . . . . . . . . . . 4866 1 398 . 1 1 120 120 VAL CA C 13 58.91 . . . . . . . . . . . 4866 1 399 . 1 1 120 120 VAL CB C 13 31.76 . . . . . . . . . . . 4866 1 400 . 1 1 122 122 GLU N N 15 118.13 . . . . . . . . . . . 4866 1 401 . 1 1 122 122 GLU H H 1 9.580 . . . . . . . . . . . 4866 1 402 . 1 1 122 122 GLU CA C 13 59.76 . . . . . . . . . . . 4866 1 403 . 1 1 122 122 GLU CB C 13 29.21 . . . . . . . . . . . 4866 1 404 . 1 1 123 123 ILE N N 15 117.27 . . . . . . . . . . . 4866 1 405 . 1 1 123 123 ILE H H 1 6.850 . . . . . . . . . . . 4866 1 406 . 1 1 123 123 ILE CA C 13 65.02 . . . . . . . . . . . 4866 1 407 . 1 1 124 124 ALA N N 15 121.64 . . . . . . . . . . . 4866 1 408 . 1 1 124 124 ALA H H 1 7.580 . . . . . . . . . . . 4866 1 409 . 1 1 124 124 ALA CA C 13 55.66 . . . . . . . . . . . 4866 1 410 . 1 1 124 124 ALA CB C 13 18.51 . . . . . . . . . . . 4866 1 411 . 1 1 125 125 ARG N N 15 116.55 . . . . . . . . . . . 4866 1 412 . 1 1 125 125 ARG H H 1 8.080 . . . . . . . . . . . 4866 1 413 . 1 1 125 125 ARG CA C 13 59.69 . . . . . . . . . . . 4866 1 414 . 1 1 125 125 ARG CB C 13 29.75 . . . . . . . . . . . 4866 1 415 . 1 1 126 126 ILE N N 15 121.93 . . . . . . . . . . . 4866 1 416 . 1 1 126 126 ILE H H 1 8.300 . . . . . . . . . . . 4866 1 417 . 1 1 126 126 ILE CA C 13 65.25 . . . . . . . . . . . 4866 1 418 . 1 1 126 126 ILE CB C 13 37.74 . . . . . . . . . . . 4866 1 419 . 1 1 127 127 TYR N N 15 119.25 . . . . . . . . . . . 4866 1 420 . 1 1 127 127 TYR H H 1 8.600 . . . . . . . . . . . 4866 1 421 . 1 1 127 127 TYR CA C 13 63.29 . . . . . . . . . . . 4866 1 422 . 1 1 127 127 TYR CB C 13 38.37 . . . . . . . . . . . 4866 1 423 . 1 1 128 128 LYS N N 15 112.78 . . . . . . . . . . . 4866 1 424 . 1 1 128 128 LYS H H 1 7.870 . . . . . . . . . . . 4866 1 425 . 1 1 128 128 LYS CA C 13 59.12 . . . . . . . . . . . 4866 1 426 . 1 1 128 128 LYS CB C 13 33.62 . . . . . . . . . . . 4866 1 427 . 1 1 129 129 THR N N 15 108.68 . . . . . . . . . . . 4866 1 428 . 1 1 129 129 THR H H 1 7.890 . . . . . . . . . . . 4866 1 429 . 1 1 129 129 THR CA C 13 63.25 . . . . . . . . . . . 4866 1 430 . 1 1 129 129 THR CB C 13 71.20 . . . . . . . . . . . 4866 1 431 . 1 1 130 130 ASP N N 15 125.60 . . . . . . . . . . . 4866 1 432 . 1 1 130 130 ASP H H 1 9.030 . . . . . . . . . . . 4866 1 433 . 1 1 130 130 ASP CA C 13 52.71 . . . . . . . . . . . 4866 1 434 . 1 1 130 130 ASP CB C 13 40.36 . . . . . . . . . . . 4866 1 435 . 1 1 131 131 ARG N N 15 125.14 . . . . . . . . . . . 4866 1 436 . 1 1 131 131 ARG H H 1 8.620 . . . . . . . . . . . 4866 1 437 . 1 1 131 131 ARG CA C 13 57.58 . . . . . . . . . . . 4866 1 438 . 1 1 131 131 ARG CB C 13 28.98 . . . . . . . . . . . 4866 1 439 . 1 1 132 132 GLU N N 15 116.29 . . . . . . . . . . . 4866 1 440 . 1 1 132 132 GLU H H 1 8.420 . . . . . . . . . . . 4866 1 441 . 1 1 132 132 GLU CA C 13 59.46 . . . . . . . . . . . 4866 1 442 . 1 1 133 133 LYS N N 15 122.96 . . . . . . . . . . . 4866 1 443 . 1 1 133 133 LYS H H 1 7.560 . . . . . . . . . . . 4866 1 444 . 1 1 133 133 LYS CA C 13 59.74 . . . . . . . . . . . 4866 1 445 . 1 1 133 133 LYS CB C 13 32.32 . . . . . . . . . . . 4866 1 446 . 1 1 134 134 TYR N N 15 118.52 . . . . . . . . . . . 4866 1 447 . 1 1 134 134 TYR H H 1 8.140 . . . . . . . . . . . 4866 1 448 . 1 1 134 134 TYR CA C 13 61.96 . . . . . . . . . . . 4866 1 449 . 1 1 134 134 TYR CB C 13 37.97 . . . . . . . . . . . 4866 1 450 . 1 1 135 135 ASN N N 15 117.24 . . . . . . . . . . . 4866 1 451 . 1 1 135 135 ASN H H 1 8.750 . . . . . . . . . . . 4866 1 452 . 1 1 135 135 ASN CA C 13 55.75 . . . . . . . . . . . 4866 1 453 . 1 1 135 135 ASN CB C 13 37.79 . . . . . . . . . . . 4866 1 454 . 1 1 136 136 ARG N N 15 120.34 . . . . . . . . . . . 4866 1 455 . 1 1 136 136 ARG H H 1 7.940 . . . . . . . . . . . 4866 1 456 . 1 1 136 136 ARG CA C 13 59.90 . . . . . . . . . . . 4866 1 457 . 1 1 136 136 ARG CB C 13 30.00 . . . . . . . . . . . 4866 1 458 . 1 1 137 137 ILE N N 15 122.39 . . . . . . . . . . . 4866 1 459 . 1 1 137 137 ILE H H 1 7.680 . . . . . . . . . . . 4866 1 460 . 1 1 137 137 ILE CA C 13 65.25 . . . . . . . . . . . 4866 1 461 . 1 1 137 137 ILE CB C 13 37.65 . . . . . . . . . . . 4866 1 462 . 1 1 138 138 ALA N N 15 121.27 . . . . . . . . . . . 4866 1 463 . 1 1 138 138 ALA H H 1 8.560 . . . . . . . . . . . 4866 1 464 . 1 1 138 138 ALA CA C 13 55.73 . . . . . . . . . . . 4866 1 465 . 1 1 138 138 ALA CB C 13 17.43 . . . . . . . . . . . 4866 1 466 . 1 1 139 139 ARG N N 15 120.89 . . . . . . . . . . . 4866 1 467 . 1 1 139 139 ARG H H 1 8.300 . . . . . . . . . . . 4866 1 468 . 1 1 139 139 ARG CA C 13 59.74 . . . . . . . . . . . 4866 1 469 . 1 1 139 139 ARG CB C 13 30.19 . . . . . . . . . . . 4866 1 470 . 1 1 140 140 GLU N N 15 123.41 . . . . . . . . . . . 4866 1 471 . 1 1 140 140 GLU H H 1 8.410 . . . . . . . . . . . 4866 1 472 . 1 1 140 140 GLU CA C 13 59.82 . . . . . . . . . . . 4866 1 473 . 1 1 140 140 GLU CB C 13 29.20 . . . . . . . . . . . 4866 1 474 . 1 1 141 141 TRP N N 15 120.07 . . . . . . . . . . . 4866 1 475 . 1 1 141 141 TRP H H 1 9.610 . . . . . . . . . . . 4866 1 476 . 1 1 141 141 TRP CA C 13 61.50 . . . . . . . . . . . 4866 1 477 . 1 1 141 141 TRP CB C 13 29.01 . . . . . . . . . . . 4866 1 478 . 1 1 142 142 THR N N 15 124.76 . . . . . . . . . . . 4866 1 479 . 1 1 142 142 THR H H 1 8.580 . . . . . . . . . . . 4866 1 480 . 1 1 142 142 THR CB C 13 68.0 . . . . . . . . . . . 4866 1 481 . 1 1 143 143 GLN N N 15 119.65 . . . . . . . . . . . 4866 1 482 . 1 1 143 143 GLN H H 1 8.140 . . . . . . . . . . . 4866 1 483 . 1 1 143 143 GLN CA C 13 58.33 . . . . . . . . . . . 4866 1 484 . 1 1 143 143 GLN CB C 13 28.41 . . . . . . . . . . . 4866 1 485 . 1 1 144 144 LYS N N 15 115.98 . . . . . . . . . . . 4866 1 486 . 1 1 144 144 LYS H H 1 7.960 . . . . . . . . . . . 4866 1 487 . 1 1 144 144 LYS CA C 13 58.66 . . . . . . . . . . . 4866 1 488 . 1 1 144 144 LYS CB C 13 33.32 . . . . . . . . . . . 4866 1 489 . 1 1 145 145 TYR N N 15 112.62 . . . . . . . . . . . 4866 1 490 . 1 1 145 145 TYR H H 1 8.060 . . . . . . . . . . . 4866 1 491 . 1 1 145 145 TYR CA C 13 57.95 . . . . . . . . . . . 4866 1 492 . 1 1 145 145 TYR CB C 13 40.42 . . . . . . . . . . . 4866 1 493 . 1 1 146 146 ALA N N 15 123.07 . . . . . . . . . . . 4866 1 494 . 1 1 146 146 ALA H H 1 8.250 . . . . . . . . . . . 4866 1 495 . 1 1 146 146 ALA CA C 13 51.25 . . . . . . . . . . . 4866 1 496 . 1 1 146 146 ALA CB C 13 21.65 . . . . . . . . . . . 4866 1 497 . 1 1 147 147 MET N N 15 122.59 . . . . . . . . . . . 4866 1 498 . 1 1 147 147 MET H H 1 7.240 . . . . . . . . . . . 4866 1 499 . 1 1 147 147 MET CA C 13 56.84 . . . . . . . . . . . 4866 1 500 . 1 1 147 147 MET CB C 13 35.54 . . . . . . . . . . . 4866 1 stop_ save_