data_4769 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4769 _Entry.Title ; Backbone 1H, 13C and 15N assignments for yeast ubiquitin at pH 7.5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-06-22 _Entry.Accession_date 2000-06-22 _Entry.Last_release_date 2001-05-03 _Entry.Original_release_date 2001-05-03 _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 Katherine Hamilton . S. . 4769 2 Michael Ellison . J. . 4769 3 Gary Shaw . S. . 4769 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4769 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 133 4769 '15N chemical shifts' 76 4769 '1H chemical shifts' 321 4769 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 . . 2001-05-03 2000-06-22 original author . 4769 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4769 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21040563 _Citation.DOI . _Citation.PubMed_ID 11200526 _Citation.Full_citation . _Citation.Title ; Identification of the Ubiquitin Interfacial Residues in a Ubiquitin-E2 Covalent Complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _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 319 _Citation.Page_last 327 _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 Katherine Hamilton . S. . 4769 1 2 Michael Ellison . J. . 4769 1 3 Gary Shaw . S. . 4769 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_yUb _Assembly.Sf_category assembly _Assembly.Sf_framecode system_yUb _Assembly.Entry_ID 4769 _Assembly.ID 1 _Assembly.Name 'yeast ubiquitin' _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 'not present' _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 4769 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 'yeast ubiquitin' 1 $yUb . . . native . . . . . 4769 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'yeast ubiquitin' system 4769 1 yUb abbreviation 4769 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_yUb _Entity.Sf_category entity _Entity.Sf_framecode yUb _Entity.Entry_ID 4769 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'yeast ubiquitin' _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 ; MQIFVKTLTGKTITLEVESS DTIDNVKSKIQDKEGIPPDQ QRLIFAGRQLEDGRTLSDYN IQKESTLHLVLRLRGG ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8500 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'LYS TO ARG MUTATION AT POSITION 48' _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 15592 . ubiquitin . . . . . 100.00 76 98.68 100.00 1.96e-45 . . . . 4769 1 2 no BMRB 17024 . ubiquitin . . . . . 100.00 76 98.68 100.00 1.96e-45 . . . . 4769 1 3 no BMRB 4983 . Ubiquitin . . . . . 98.68 76 97.33 98.67 1.22e-43 . . . . 4769 1 4 no PDB 1OTR . "Solution Structure Of A Cue-Ubiquitin Complex" . . . . . 100.00 76 98.68 100.00 1.96e-45 . . . . 4769 1 5 no PDB 1Q0W . "Solution Structure Of Vps27 Amino-Terminal Uim-Ubiquitin Complex" . . . . . 100.00 76 98.68 100.00 1.96e-45 . . . . 4769 1 6 no PDB 1VW8 . "S. Cerevisiae 80s Ribosome Bound With Taura Syndrome Virus (tsv) Ires, 5 Degree Rotation (class Ii). This Entry Contains The La" . . . . . 100.00 128 98.68 100.00 1.30e-45 . . . . 4769 1 7 no PDB 1VW9 . "S. Cerevisiae 80s Ribosome Bound With Taura Syndrome Virus (tsv) Ires, 5 Degree Rotation (class Ii). This Entry Contains The Sm" . . . . . 100.00 152 98.68 100.00 2.05e-45 . . . . 4769 1 8 no PDB 1VWU . "S. Cerevisiae 80s Ribosome Bound With Taura Syndrome Virus (tsv) Ires, 2 Degree Rotation (class I). This Entry Contains The Lar" . . . . . 100.00 128 98.68 100.00 1.30e-45 . . . . 4769 1 9 no PDB 1VWV . "S. Cerevisiae 80s Ribosome Bound With Taura Syndrome Virus (tsv) Ires, 2 Degree Rotation (class I). This Entry Contains The Sma" . . . . . 100.00 152 98.68 100.00 2.05e-45 . . . . 4769 1 10 no PDB 1VXV . "Structures Of Yeast 80s Ribosome-trna Complexes In The Rotated And Non-rotated Conformations (class Ii - Rotated Ribosome With " . . . . . 100.00 128 98.68 100.00 1.30e-45 . . . . 4769 1 11 no PDB 1VXW . "Structures Of Yeast 80s Ribosome-trna Complexes In The Rotated And Non-rotated Conformations (class Ii - Rotated Ribosome With " . . . . . 100.00 152 98.68 100.00 2.05e-45 . . . . 4769 1 12 no PDB 1VXY . "Structures Of Yeast 80s Ribosome-trna Complexes In The Rotated And Non-rotated Conformations (class I - Non-rotated Ribosome Wi" . . . . . 100.00 128 98.68 100.00 1.30e-45 . . . . 4769 1 13 no PDB 1VXZ . "Structures Of Yeast 80s Ribosome-trna Complexes In The Rotated And Non-rotated Conformations (class I - Non-rotated Ribosome Wi" . . . . . 100.00 152 98.68 100.00 2.05e-45 . . . . 4769 1 14 no PDB 1WR1 . "The Complex Sturcture Of Dsk2p Uba With Ubiquitin" . . . . . 100.00 76 98.68 100.00 1.96e-45 . . . . 4769 1 15 no PDB 2G3Q . "Solution Structure Of Ede1 Uba-Ubiquitin Complex" . . . . . 100.00 76 98.68 100.00 1.96e-45 . . . . 4769 1 16 no PDB 2JT4 . "Solution Structure Of The Sla1 Sh3-3-Ubiquitin Complex" . . . . . 100.00 76 98.68 100.00 1.96e-45 . . . . 4769 1 17 no PDB 2JWZ . "Mutations In The Hydrophobic Core Of Ubiquitin Differentially Affect Its Recognition By Receptor Proteins" . . . . . 100.00 76 97.37 98.68 1.90e-44 . . . . 4769 1 18 no PDB 2L00 . "Solution Structure Of The Non-Covalent Complex Of The Znf216 A20 Domain With Ubiquitin" . . . . . 100.00 76 98.68 100.00 1.96e-45 . . . . 4769 1 19 no PDB 3CMM . "Crystal Structure Of The Uba1-Ubiquitin Complex" . . . . . 100.00 76 98.68 100.00 1.96e-45 . . . . 4769 1 20 no PDB 3J80 . "Cryoem Structure Of 40s-eif1-eif1a Preinitiation Complex" . . . . . 100.00 150 98.68 100.00 6.30e-45 . . . . 4769 1 21 no PDB 3J81 . "Cryoem Structure Of A Partial Yeast 48s Preinitiation Complex" . . . . . 100.00 150 98.68 100.00 6.30e-45 . . . . 4769 1 22 no PDB 3L0W . "Structure Of Split Monoubiquitinated Pcna With Ubiquitin In Position Two" . . . . . 100.00 169 98.68 100.00 2.86e-44 . . . . 4769 1 23 no PDB 3L10 . "Structure Of Split Monoubiquitinated Pcna With Ubiquitin In Position One" . . . . . 100.00 169 98.68 100.00 2.86e-44 . . . . 4769 1 24 no PDB 3OLM . "Structure And Function Of A Ubiquitin Binding Site Within The Catalytic Domain Of A Hect Ubiquitin Ligase" . . . . . 100.00 79 98.68 100.00 1.36e-45 . . . . 4769 1 25 no PDB 3U5C . "The Structure Of The Eukaryotic Ribosome At 3.0 A Resolution. This Entry Contains Proteins Of The 40s Subunit, Ribosome A" . . . . . 100.00 152 98.68 100.00 3.92e-45 . . . . 4769 1 26 no PDB 3U5E . "The Structure Of The Eukaryotic Ribosome At 3.0 A Resolution. This Entry Contains Proteins Of The 60s Subunit, Ribosome A" . . . . . 100.00 128 98.68 100.00 1.30e-45 . . . . 4769 1 27 no PDB 3U5G . "The Structure Of The Eukaryotic Ribosome At 3.0 A Resolution. This Entry Contains Proteins Of The 40s Subunit, Ribosome B" . . . . . 100.00 152 98.68 100.00 4.28e-45 . . . . 4769 1 28 no PDB 3U5I . "The Structure Of The Eukaryotic Ribosome At 3.0 A Resolution. This Entry Contains Proteins Of The 60s Subunit, Ribosome B" . . . . . 100.00 128 98.68 100.00 1.30e-45 . . . . 4769 1 29 no PDB 4B6A . "Cryo-Em Structure Of The 60s Ribosomal Subunit In Complex With Arx1 And Rei1" . . . . . 100.00 128 98.68 100.00 1.30e-45 . . . . 4769 1 30 no PDB 4BYL . "Cryo-em Reconstruction Of The 80s-eif5b-met-itrnamet Eukaryotic Translation Initiation Complex" . . . . . 100.00 152 98.68 100.00 3.92e-45 . . . . 4769 1 31 no PDB 4BYN . "Cryo-em Reconstruction Of The 80s-eif5b-met-itrnamet Eukaryotic Translation Initiation Complex" . . . . . 100.00 128 98.68 100.00 1.30e-45 . . . . 4769 1 32 no PDB 4BYT . "Cryo-em Reconstruction Of The 80s-eif5b-met-itrnamet Eukaryotic Translation Initiation Complex" . . . . . 100.00 152 98.68 100.00 3.92e-45 . . . . 4769 1 33 no PDB 4BYU . "Cryo-em Reconstruction Of The 80s-eif5b-met-itrnamet Eukaryotic Translation Initiation Complex" . . . . . 100.00 128 98.68 100.00 1.30e-45 . . . . 4769 1 34 no PDB 4CUW . "Kluyveromyces Lactis 80s Ribosome In Complex With Crpv-ires" . . . . . 100.00 128 98.68 100.00 1.30e-45 . . . . 4769 1 35 no PDB 4HCN . "Crystal Structure Of Burkholderia Pseudomallei Effector Protein Chbp In Complex With Ubiquitin" . . . . . 100.00 98 98.68 100.00 2.39e-45 . . . . 4769 1 36 no PDB 4II3 . "Crystal Structure Of S. Pombe Ubiquitin Activating Enzyme 1 (uba1) In Complex With Ubiquitin And Atp/mg" . . . . . 100.00 96 98.68 100.00 1.47e-45 . . . . 4769 1 37 no PDB 4NNJ . "Crystal Structure Of Uba1 In Complex With Ubiquitin-amp And Thioesterified Ubiquitin" . . . . . 100.00 79 98.68 100.00 1.14e-45 . . . . 4769 1 38 no PDB 4Q5E . "Shigella Effector Kinase Ospg Bound To E2-ub Ubch7-ub Conjugate" . . . . . 98.68 76 100.00 100.00 4.68e-45 . . . . 4769 1 39 no PDB 4Q5H . "Shigella Effector Kinase Ospg Bound To Amppnp And E2-ub Ubch7-ub Conjugate" . . . . . 98.68 76 100.00 100.00 4.68e-45 . . . . 4769 1 40 no DBJ BAA76889 . "ubiquitin [Trichophyton mentagrophytes]" . . . . . 100.00 153 97.37 100.00 5.82e-44 . . . . 4769 1 41 no DBJ BAA88168 . "ubiquitin [Arthroderma otae]" . . . . . 100.00 153 97.37 100.00 5.82e-44 . . . . 4769 1 42 no DBJ BAB79488 . "ribosomal protein S27A [Homo sapiens]" . . . . . 53.95 121 97.56 100.00 1.43e-19 . . . . 4769 1 43 no DBJ BAD97865 . "ubiquitin [Lemna paucicostata]" . . . . . 100.00 76 97.37 100.00 4.48e-45 . . . . 4769 1 44 no DBJ BAE57827 . "unnamed protein product [Aspergillus oryzae RIB40]" . . . . . 100.00 154 98.68 100.00 4.79e-45 . . . . 4769 1 45 no EMBL CAA07773 . "polyubiquitin [Fusarium sambucinum]" . . . . . 100.00 305 98.68 100.00 1.00e-42 . . . . 4769 1 46 no EMBL CAA11267 . "polyubiquitin [Nicotiana tabacum]" . . . . . 100.00 305 98.68 100.00 1.00e-42 . . . . 4769 1 47 no EMBL CAA21278 . "ubiquitin [Schizosaccharomyces pombe]" . . . . . 100.00 382 98.68 100.00 4.80e-42 . . . . 4769 1 48 no EMBL CAA25705 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 61.84 47 97.87 97.87 8.29e-23 . . . . 4769 1 49 no EMBL CAA25706 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 50.00 191 97.37 100.00 9.38e-16 . . . . 4769 1 50 no GB AAA03351 . "ubiquitin/ribosomal protein S27a fusion protein [Neurospora crassa]" . . . . . 100.00 154 97.37 98.68 2.57e-44 . . . . 4769 1 51 no GB AAA36787 . "ubiquitin precursor, partial [Homo sapiens]" . . . . . 52.63 269 97.50 100.00 7.10e-18 . . . . 4769 1 52 no GB AAA42855 . "nonstructural protein; putative helicase/protease; contains duplication; contains ubiquitin-coding region; putative, partial [B" . . . . . 60.53 1896 97.83 100.00 3.81e-21 . . . . 4769 1 53 no GB AAA56880 . "ubiquitin/S27a fusion protein [Neurospora crassa]" . . . . . 100.00 154 97.37 98.68 2.57e-44 . . . . 4769 1 54 no GB AAA72565 . "synthetic ubiquitin [synthetic construct]" . . . . . 100.00 76 98.68 100.00 1.96e-45 . . . . 4769 1 55 no PRF 1101405A . "ubiquitin precursor" . . . . . 50.00 191 97.37 100.00 8.64e-16 . . . . 4769 1 56 no REF NP_012118 . "ubiquitin-ribosomal 60S subunit protein L40A fusion protein [Saccharomyces cerevisiae S288c]" . . . . . 100.00 128 98.68 100.00 1.30e-45 . . . . 4769 1 57 no REF NP_013020 . "ubiquitin-ribosomal 60S subunit protein L40B fusion protein [Saccharomyces cerevisiae S288c]" . . . . . 100.00 128 98.68 100.00 1.30e-45 . . . . 4769 1 58 no REF NP_013061 . "ubiquitin [Saccharomyces cerevisiae S288c]" . . . . . 100.00 381 98.68 100.00 4.62e-42 . . . . 4769 1 59 no REF NP_013268 . "ubiquitin-ribosomal 40S subunit protein S31 fusion protein [Saccharomyces cerevisiae S288c]" . . . . . 100.00 152 98.68 100.00 2.05e-45 . . . . 4769 1 60 no REF NP_593923 . "ubiquitin-60S ribosomal protein L40 fusion protein [Schizosaccharomyces pombe 972h-]" . . . . . 100.00 128 98.68 100.00 1.13e-45 . . . . 4769 1 61 no SP P05759 . "RecName: Full=Ubiquitin-40S ribosomal protein S31; Contains: RecName: Full=Ubiquitin; Contains: RecName: Full=40S ribosomal pro" . . . . . 100.00 152 98.68 100.00 2.05e-45 . . . . 4769 1 62 no SP P0C016 . "RecName: Full=Ubiquitin-40S ribosomal protein S27a; Contains: RecName: Full=Ubiquitin; Contains: RecName: Full=40S ribosomal pr" . . . . . 100.00 150 98.68 100.00 3.78e-45 . . . . 4769 1 63 no SP P0C224 . "RecName: Full=Ubiquitin-60S ribosomal protein L40; Contains: RecName: Full=Ubiquitin; Contains: RecName: Full=60S ribosomal pro" . . . . . 100.00 128 97.37 98.68 8.78e-45 . . . . 4769 1 64 no SP P0C8R3 . "RecName: Full=Ubiquitin-40S ribosomal protein S27b; Contains: RecName: Full=Ubiquitin; Contains: RecName: Full=40S ribosomal pr" . . . . . 100.00 150 98.68 100.00 3.54e-45 . . . . 4769 1 65 no SP P0CG63 . "RecName: Full=Polyubiquitin; Contains: RecName: Full=Ubiquitin; Flags: Precursor [Saccharomyces cerevisiae S288c]" . . . . . 100.00 381 98.68 100.00 4.62e-42 . . . . 4769 1 66 no TPD FAA00316 . "TPA: polyubiquitin [Eremothecium gossypii]" . . . . . 100.00 380 98.68 100.00 4.54e-42 . . . . 4769 1 67 no TPD FAA00317 . "TPA: polyubiquitin [Aspergillus nidulans FGSC A4]" . . . . . 100.00 304 97.37 100.00 2.59e-42 . . . . 4769 1 68 no TPD FAA00318 . "TPA: polyubiquitin [Saccharomyces paradoxus NRRL Y-17217]" . . . . . 100.00 380 98.68 100.00 4.54e-42 . . . . 4769 1 69 no TPD FAA00319 . "TPA: polyubiquitin [Cryptococcus neoformans var. neoformans B-3501A]" . . . . . 100.00 456 97.37 100.00 2.49e-41 . . . . 4769 1 70 no TPE CBF76581 . "TPA: Putative uncharacterized proteinUBI1 ; [Source:UniProtKB/TrEMBL;Acc:Q9UV58] [Aspergillus nidulans FGSC A4]" . . . . . 100.00 154 97.37 100.00 1.72e-44 . . . . 4769 1 71 no TPE CBF85986 . "TPA: Polyubiquitin Fragment [Source:UniProtKB/TrEMBL;Acc:A2RVC1] [Aspergillus nidulans FGSC A4]" . . . . . 100.00 305 97.37 100.00 2.94e-42 . . . . 4769 1 72 no TPG DAA08405 . "TPA: ubiquitin-ribosomal 60S subunit protein L40A fusion protein [Saccharomyces cerevisiae S288c]" . . . . . 100.00 128 98.68 100.00 1.30e-45 . . . . 4769 1 73 no TPG DAA09244 . "TPA: ubiquitin-ribosomal 60S subunit protein L40B fusion protein [Saccharomyces cerevisiae S288c]" . . . . . 100.00 128 98.68 100.00 1.30e-45 . . . . 4769 1 74 no TPG DAA09283 . "TPA: ubiquitin [Saccharomyces cerevisiae S288c]" . . . . . 100.00 381 98.68 100.00 4.62e-42 . . . . 4769 1 75 no TPG DAA09489 . "TPA: ubiquitin-ribosomal 40S subunit protein S31 fusion protein [Saccharomyces cerevisiae S288c]" . . . . . 100.00 152 98.68 100.00 2.05e-45 . . . . 4769 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'yeast ubiquitin' common 4769 1 yUb abbreviation 4769 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 . 4769 1 2 . GLN . 4769 1 3 . ILE . 4769 1 4 . PHE . 4769 1 5 . VAL . 4769 1 6 . LYS . 4769 1 7 . THR . 4769 1 8 . LEU . 4769 1 9 . THR . 4769 1 10 . GLY . 4769 1 11 . LYS . 4769 1 12 . THR . 4769 1 13 . ILE . 4769 1 14 . THR . 4769 1 15 . LEU . 4769 1 16 . GLU . 4769 1 17 . VAL . 4769 1 18 . GLU . 4769 1 19 . SER . 4769 1 20 . SER . 4769 1 21 . ASP . 4769 1 22 . THR . 4769 1 23 . ILE . 4769 1 24 . ASP . 4769 1 25 . ASN . 4769 1 26 . VAL . 4769 1 27 . LYS . 4769 1 28 . SER . 4769 1 29 . LYS . 4769 1 30 . ILE . 4769 1 31 . GLN . 4769 1 32 . ASP . 4769 1 33 . LYS . 4769 1 34 . GLU . 4769 1 35 . GLY . 4769 1 36 . ILE . 4769 1 37 . PRO . 4769 1 38 . PRO . 4769 1 39 . ASP . 4769 1 40 . GLN . 4769 1 41 . GLN . 4769 1 42 . ARG . 4769 1 43 . LEU . 4769 1 44 . ILE . 4769 1 45 . PHE . 4769 1 46 . ALA . 4769 1 47 . GLY . 4769 1 48 . ARG . 4769 1 49 . GLN . 4769 1 50 . LEU . 4769 1 51 . GLU . 4769 1 52 . ASP . 4769 1 53 . GLY . 4769 1 54 . ARG . 4769 1 55 . THR . 4769 1 56 . LEU . 4769 1 57 . SER . 4769 1 58 . ASP . 4769 1 59 . TYR . 4769 1 60 . ASN . 4769 1 61 . ILE . 4769 1 62 . GLN . 4769 1 63 . LYS . 4769 1 64 . GLU . 4769 1 65 . SER . 4769 1 66 . THR . 4769 1 67 . LEU . 4769 1 68 . HIS . 4769 1 69 . LEU . 4769 1 70 . VAL . 4769 1 71 . LEU . 4769 1 72 . ARG . 4769 1 73 . LEU . 4769 1 74 . ARG . 4769 1 75 . GLY . 4769 1 76 . GLY . 4769 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 4769 1 . GLN 2 2 4769 1 . ILE 3 3 4769 1 . PHE 4 4 4769 1 . VAL 5 5 4769 1 . LYS 6 6 4769 1 . THR 7 7 4769 1 . LEU 8 8 4769 1 . THR 9 9 4769 1 . GLY 10 10 4769 1 . LYS 11 11 4769 1 . THR 12 12 4769 1 . ILE 13 13 4769 1 . THR 14 14 4769 1 . LEU 15 15 4769 1 . GLU 16 16 4769 1 . VAL 17 17 4769 1 . GLU 18 18 4769 1 . SER 19 19 4769 1 . SER 20 20 4769 1 . ASP 21 21 4769 1 . THR 22 22 4769 1 . ILE 23 23 4769 1 . ASP 24 24 4769 1 . ASN 25 25 4769 1 . VAL 26 26 4769 1 . LYS 27 27 4769 1 . SER 28 28 4769 1 . LYS 29 29 4769 1 . ILE 30 30 4769 1 . GLN 31 31 4769 1 . ASP 32 32 4769 1 . LYS 33 33 4769 1 . GLU 34 34 4769 1 . GLY 35 35 4769 1 . ILE 36 36 4769 1 . PRO 37 37 4769 1 . PRO 38 38 4769 1 . ASP 39 39 4769 1 . GLN 40 40 4769 1 . GLN 41 41 4769 1 . ARG 42 42 4769 1 . LEU 43 43 4769 1 . ILE 44 44 4769 1 . PHE 45 45 4769 1 . ALA 46 46 4769 1 . GLY 47 47 4769 1 . ARG 48 48 4769 1 . GLN 49 49 4769 1 . LEU 50 50 4769 1 . GLU 51 51 4769 1 . ASP 52 52 4769 1 . GLY 53 53 4769 1 . ARG 54 54 4769 1 . THR 55 55 4769 1 . LEU 56 56 4769 1 . SER 57 57 4769 1 . ASP 58 58 4769 1 . TYR 59 59 4769 1 . ASN 60 60 4769 1 . ILE 61 61 4769 1 . GLN 62 62 4769 1 . LYS 63 63 4769 1 . GLU 64 64 4769 1 . SER 65 65 4769 1 . THR 66 66 4769 1 . LEU 67 67 4769 1 . HIS 68 68 4769 1 . LEU 69 69 4769 1 . VAL 70 70 4769 1 . LEU 71 71 4769 1 . ARG 72 72 4769 1 . LEU 73 73 4769 1 . ARG 74 74 4769 1 . GLY 75 75 4769 1 . GLY 76 76 4769 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 4769 _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 $yUb . 4932 . . 'Saccharomyces cerevisiae' yeast . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 4769 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 4769 _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 $yUb . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4769 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4769 _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 'yeast ubiquitin' '[U-95% 13C; U-90% 15N]' . . 1 $yUb . . 0.8 . . mM . . . . 4769 1 2 HEPES . . . . . . . 40 . . mM . . . . 4769 1 3 NaCl . . . . . . . 50 . . mM . . . . 4769 1 4 EDTA . . . . . . . 1 . . mM . . . . 4769 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition1 _Sample_condition_list.Entry_ID 4769 _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 7.5 0.03 n/a 4769 1 temperature 303 0.1 K 4769 1 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 4769 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _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 4769 _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 Varian Unity . 500 . . . 4769 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 4769 _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 NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4769 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4769 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4769 1 4 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4769 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 4769 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N 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 4769 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ 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 4769 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4769 _NMR_spec_expt.ID 4 _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_ #################### # 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 4769 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS . . . . . ppm . internal . . . . . . . . . . . 4769 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4769 1 N 15 DSS . . . . . ppm . internal . . . . . . . . . . . 4769 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set1 _Assigned_chem_shift_list.Entry_ID 4769 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition1 _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 '1H-15N NOESY' 1 $sample_1 . 4769 1 2 '1H-15N TOCSY' 1 $sample_1 . 4769 1 3 HNCACB 1 $sample_1 . 4769 1 4 '1H-15N HSQC' 1 $sample_1 . 4769 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 GLN H H 1 8.90 0.03 . 1 . . . . . . . . 4769 1 2 . 1 1 2 2 GLN HA H 1 5.28 0.03 . 1 . . . . . . . . 4769 1 3 . 1 1 2 2 GLN HB2 H 1 1.62 0.03 . 2 . . . . . . . . 4769 1 4 . 1 1 2 2 GLN HB3 H 1 1.87 0.03 . 2 . . . . . . . . 4769 1 5 . 1 1 2 2 GLN HG3 H 1 2.26 0.03 . 2 . . . . . . . . 4769 1 6 . 1 1 2 2 GLN HE21 H 1 6.74 0.03 . 2 . . . . . . . . 4769 1 7 . 1 1 2 2 GLN HE22 H 1 7.66 0.03 . 2 . . . . . . . . 4769 1 8 . 1 1 2 2 GLN CA C 13 54.89 0.20 . 1 . . . . . . . . 4769 1 9 . 1 1 2 2 GLN CB C 13 30.55 0.20 . 1 . . . . . . . . 4769 1 10 . 1 1 2 2 GLN N N 15 122.90 0.20 . 1 . . . . . . . . 4769 1 11 . 1 1 2 2 GLN NE2 N 15 111.10 0.20 . 1 . . . . . . . . 4769 1 12 . 1 1 3 3 ILE H H 1 8.33 0.03 . 1 . . . . . . . . 4769 1 13 . 1 1 3 3 ILE HA H 1 4.15 0.03 . 1 . . . . . . . . 4769 1 14 . 1 1 3 3 ILE HB H 1 1.76 0.03 . 1 . . . . . . . . 4769 1 15 . 1 1 3 3 ILE CA C 13 59.47 0.20 . 1 . . . . . . . . 4769 1 16 . 1 1 3 3 ILE CB C 13 42.04 0.20 . 1 . . . . . . . . 4769 1 17 . 1 1 3 3 ILE N N 15 115.40 0.20 . 1 . . . . . . . . 4769 1 18 . 1 1 4 4 PHE H H 1 8.61 0.03 . 1 . . . . . . . . 4769 1 19 . 1 1 4 4 PHE HA H 1 5.64 0.03 . 1 . . . . . . . . 4769 1 20 . 1 1 4 4 PHE HB2 H 1 3.05 0.03 . 2 . . . . . . . . 4769 1 21 . 1 1 4 4 PHE HB3 H 1 2.88 0.03 . 2 . . . . . . . . 4769 1 22 . 1 1 4 4 PHE CA C 13 54.62 0.20 . 1 . . . . . . . . 4769 1 23 . 1 1 4 4 PHE CB C 13 41.43 0.20 . 1 . . . . . . . . 4769 1 24 . 1 1 4 4 PHE N N 15 118.70 0.20 . 1 . . . . . . . . 4769 1 25 . 1 1 5 5 VAL H H 1 9.30 0.03 . 1 . . . . . . . . 4769 1 26 . 1 1 5 5 VAL HA H 1 4.85 0.03 . 1 . . . . . . . . 4769 1 27 . 1 1 5 5 VAL HB H 1 1.90 0.03 . 1 . . . . . . . . 4769 1 28 . 1 1 5 5 VAL HG11 H 1 0.71 0.03 . 2 . . . . . . . . 4769 1 29 . 1 1 5 5 VAL HG12 H 1 0.71 0.03 . 2 . . . . . . . . 4769 1 30 . 1 1 5 5 VAL HG13 H 1 0.71 0.03 . 2 . . . . . . . . 4769 1 31 . 1 1 5 5 VAL CA C 13 60.33 0.20 . 1 . . . . . . . . 4769 1 32 . 1 1 5 5 VAL CB C 13 34.23 0.20 . 1 . . . . . . . . 4769 1 33 . 1 1 5 5 VAL N N 15 121.39 0.20 . 1 . . . . . . . . 4769 1 34 . 1 1 6 6 LYS H H 1 9.01 0.03 . 1 . . . . . . . . 4769 1 35 . 1 1 6 6 LYS HA H 1 5.28 0.03 . 1 . . . . . . . . 4769 1 36 . 1 1 6 6 LYS HB2 H 1 1.43 0.03 . 2 . . . . . . . . 4769 1 37 . 1 1 6 6 LYS HB3 H 1 1.71 0.03 . 2 . . . . . . . . 4769 1 38 . 1 1 6 6 LYS HG3 H 1 1.28 0.03 . 2 . . . . . . . . 4769 1 39 . 1 1 6 6 LYS HE3 H 1 2.89 0.03 . 2 . . . . . . . . 4769 1 40 . 1 1 6 6 LYS CA C 13 54.57 0.20 . 1 . . . . . . . . 4769 1 41 . 1 1 6 6 LYS CB C 13 34.33 0.20 . 1 . . . . . . . . 4769 1 42 . 1 1 6 6 LYS N N 15 128.16 0.20 . 1 . . . . . . . . 4769 1 43 . 1 1 7 7 THR H H 1 8.74 0.03 . 1 . . . . . . . . 4769 1 44 . 1 1 7 7 THR HA H 1 4.94 0.03 . 1 . . . . . . . . 4769 1 45 . 1 1 7 7 THR HB H 1 4.81 0.03 . 1 . . . . . . . . 4769 1 46 . 1 1 7 7 THR HG21 H 1 1.18 0.03 . 1 . . . . . . . . 4769 1 47 . 1 1 7 7 THR HG22 H 1 1.18 0.03 . 1 . . . . . . . . 4769 1 48 . 1 1 7 7 THR HG23 H 1 1.18 0.03 . 1 . . . . . . . . 4769 1 49 . 1 1 7 7 THR CA C 13 60.39 0.20 . 1 . . . . . . . . 4769 1 50 . 1 1 7 7 THR CB C 13 70.39 0.20 . 1 . . . . . . . . 4769 1 51 . 1 1 7 7 THR N N 15 115.47 0.20 . 1 . . . . . . . . 4769 1 52 . 1 1 8 8 LEU H H 1 9.09 0.03 . 1 . . . . . . . . 4769 1 53 . 1 1 8 8 LEU CA C 13 57.43 0.20 . 1 . . . . . . . . 4769 1 54 . 1 1 8 8 LEU CB C 13 41.58 0.20 . 1 . . . . . . . . 4769 1 55 . 1 1 8 8 LEU N N 15 121.32 0.20 . 1 . . . . . . . . 4769 1 56 . 1 1 9 9 THR CA C 13 61.17 0.20 . 1 . . . . . . . . 4769 1 57 . 1 1 9 9 THR CB C 13 68.51 0.20 . 1 . . . . . . . . 4769 1 58 . 1 1 10 10 GLY H H 1 7.84 0.03 . 1 . . . . . . . . 4769 1 59 . 1 1 10 10 GLY HA2 H 1 3.61 0.03 . 2 . . . . . . . . 4769 1 60 . 1 1 10 10 GLY HA3 H 1 4.35 0.03 . 2 . . . . . . . . 4769 1 61 . 1 1 10 10 GLY CA C 13 45.34 0.20 . 1 . . . . . . . . 4769 1 62 . 1 1 10 10 GLY N N 15 109.34 0.20 . 1 . . . . . . . . 4769 1 63 . 1 1 11 11 LYS H H 1 7.28 0.03 . 1 . . . . . . . . 4769 1 64 . 1 1 11 11 LYS HA H 1 4.36 0.03 . 1 . . . . . . . . 4769 1 65 . 1 1 11 11 LYS HB3 H 1 1.77 0.03 . 2 . . . . . . . . 4769 1 66 . 1 1 11 11 LYS HG2 H 1 1.24 0.03 . 2 . . . . . . . . 4769 1 67 . 1 1 11 11 LYS HG3 H 1 1.41 0.03 . 2 . . . . . . . . 4769 1 68 . 1 1 11 11 LYS CA C 13 56.23 0.20 . 1 . . . . . . . . 4769 1 69 . 1 1 11 11 LYS CB C 13 33.44 0.20 . 1 . . . . . . . . 4769 1 70 . 1 1 11 11 LYS N N 15 121.95 0.20 . 1 . . . . . . . . 4769 1 71 . 1 1 12 12 THR H H 1 8.61 0.03 . 1 . . . . . . . . 4769 1 72 . 1 1 12 12 THR HA H 1 5.07 0.03 . 1 . . . . . . . . 4769 1 73 . 1 1 12 12 THR HB H 1 3.95 0.03 . 1 . . . . . . . . 4769 1 74 . 1 1 12 12 THR HG21 H 1 1.08 0.03 . 1 . . . . . . . . 4769 1 75 . 1 1 12 12 THR HG22 H 1 1.08 0.03 . 1 . . . . . . . . 4769 1 76 . 1 1 12 12 THR HG23 H 1 1.08 0.03 . 1 . . . . . . . . 4769 1 77 . 1 1 12 12 THR CA C 13 61.89 0.20 . 1 . . . . . . . . 4769 1 78 . 1 1 12 12 THR CB C 13 69.83 0.20 . 1 . . . . . . . . 4769 1 79 . 1 1 12 12 THR N N 15 120.56 0.20 . 1 . . . . . . . . 4769 1 80 . 1 1 13 13 ILE H H 1 9.58 0.03 . 1 . . . . . . . . 4769 1 81 . 1 1 13 13 ILE HA H 1 4.52 0.03 . 1 . . . . . . . . 4769 1 82 . 1 1 13 13 ILE HB H 1 1.87 0.03 . 1 . . . . . . . . 4769 1 83 . 1 1 13 13 ILE HG21 H 1 0.88 0.03 . 1 . . . . . . . . 4769 1 84 . 1 1 13 13 ILE HG22 H 1 0.88 0.03 . 1 . . . . . . . . 4769 1 85 . 1 1 13 13 ILE HG23 H 1 0.88 0.03 . 1 . . . . . . . . 4769 1 86 . 1 1 13 13 ILE CA C 13 59.96 0.20 . 1 . . . . . . . . 4769 1 87 . 1 1 13 13 ILE CB C 13 40.73 0.20 . 1 . . . . . . . . 4769 1 88 . 1 1 13 13 ILE N N 15 127.74 0.20 . 1 . . . . . . . . 4769 1 89 . 1 1 14 14 THR H H 1 8.71 0.03 . 1 . . . . . . . . 4769 1 90 . 1 1 14 14 THR HA H 1 4.97 0.03 . 1 . . . . . . . . 4769 1 91 . 1 1 14 14 THR HB H 1 4.04 0.03 . 1 . . . . . . . . 4769 1 92 . 1 1 14 14 THR HG21 H 1 1.13 0.03 . 1 . . . . . . . . 4769 1 93 . 1 1 14 14 THR HG22 H 1 1.13 0.03 . 1 . . . . . . . . 4769 1 94 . 1 1 14 14 THR HG23 H 1 1.13 0.03 . 1 . . . . . . . . 4769 1 95 . 1 1 14 14 THR CA C 13 61.94 0.20 . 1 . . . . . . . . 4769 1 96 . 1 1 14 14 THR CB C 13 69.46 0.20 . 1 . . . . . . . . 4769 1 97 . 1 1 14 14 THR N N 15 121.77 0.20 . 1 . . . . . . . . 4769 1 98 . 1 1 15 15 LEU H H 1 8.76 0.03 . 1 . . . . . . . . 4769 1 99 . 1 1 15 15 LEU HA H 1 4.77 0.03 . 1 . . . . . . . . 4769 1 100 . 1 1 15 15 LEU HB2 H 1 1.38 0.03 . 2 . . . . . . . . 4769 1 101 . 1 1 15 15 LEU HB3 H 1 1.21 0.03 . 2 . . . . . . . . 4769 1 102 . 1 1 15 15 LEU CA C 13 52.82 0.20 . 1 . . . . . . . . 4769 1 103 . 1 1 15 15 LEU CB C 13 46.72 0.20 . 1 . . . . . . . . 4769 1 104 . 1 1 15 15 LEU N N 15 125.32 0.20 . 1 . . . . . . . . 4769 1 105 . 1 1 16 16 GLU H H 1 8.13 0.03 . 1 . . . . . . . . 4769 1 106 . 1 1 16 16 GLU HA H 1 4.90 0.03 . 1 . . . . . . . . 4769 1 107 . 1 1 16 16 GLU HB3 H 1 1.87 0.03 . 2 . . . . . . . . 4769 1 108 . 1 1 16 16 GLU HG3 H 1 2.26 0.03 . 2 . . . . . . . . 4769 1 109 . 1 1 16 16 GLU CA C 13 54.96 0.20 . 1 . . . . . . . . 4769 1 110 . 1 1 16 16 GLU CB C 13 29.96 0.20 . 1 . . . . . . . . 4769 1 111 . 1 1 16 16 GLU N N 15 122.68 0.20 . 1 . . . . . . . . 4769 1 112 . 1 1 17 17 VAL H H 1 8.93 0.03 . 1 . . . . . . . . 4769 1 113 . 1 1 17 17 VAL HA H 1 4.70 0.03 . 1 . . . . . . . . 4769 1 114 . 1 1 17 17 VAL HB H 1 2.35 0.03 . 1 . . . . . . . . 4769 1 115 . 1 1 17 17 VAL HG11 H 1 0.44 0.03 . 2 . . . . . . . . 4769 1 116 . 1 1 17 17 VAL HG12 H 1 0.44 0.03 . 2 . . . . . . . . 4769 1 117 . 1 1 17 17 VAL HG13 H 1 0.44 0.03 . 2 . . . . . . . . 4769 1 118 . 1 1 17 17 VAL HG21 H 1 0.70 0.03 . 2 . . . . . . . . 4769 1 119 . 1 1 17 17 VAL HG22 H 1 0.70 0.03 . 2 . . . . . . . . 4769 1 120 . 1 1 17 17 VAL HG23 H 1 0.70 0.03 . 2 . . . . . . . . 4769 1 121 . 1 1 17 17 VAL CA C 13 58.48 0.20 . 1 . . . . . . . . 4769 1 122 . 1 1 17 17 VAL CB C 13 36.33 0.20 . 1 . . . . . . . . 4769 1 123 . 1 1 17 17 VAL N N 15 117.71 0.20 . 1 . . . . . . . . 4769 1 124 . 1 1 18 18 GLU H H 1 8.63 0.03 . 1 . . . . . . . . 4769 1 125 . 1 1 18 18 GLU HA H 1 4.85 0.03 . 1 . . . . . . . . 4769 1 126 . 1 1 18 18 GLU HB2 H 1 1.69 0.03 . 2 . . . . . . . . 4769 1 127 . 1 1 18 18 GLU HB3 H 1 2.21 0.03 . 2 . . . . . . . . 4769 1 128 . 1 1 18 18 GLU CA C 13 54.04 0.20 . 1 . . . . . . . . 4769 1 129 . 1 1 18 18 GLU CB C 13 32.30 0.20 . 1 . . . . . . . . 4769 1 130 . 1 1 18 18 GLU N N 15 118.86 0.20 . 1 . . . . . . . . 4769 1 131 . 1 1 20 20 SER H H 1 7.31 0.03 . 1 . . . . . . . . 4769 1 132 . 1 1 20 20 SER HA H 1 4.41 0.03 . 1 . . . . . . . . 4769 1 133 . 1 1 20 20 SER HB2 H 1 3.78 0.03 . 2 . . . . . . . . 4769 1 134 . 1 1 20 20 SER HB3 H 1 4.17 0.03 . 2 . . . . . . . . 4769 1 135 . 1 1 20 20 SER CA C 13 57.22 0.20 . 1 . . . . . . . . 4769 1 136 . 1 1 20 20 SER CB C 13 63.50 0.20 . 1 . . . . . . . . 4769 1 137 . 1 1 20 20 SER N N 15 108.80 0.20 . 1 . . . . . . . . 4769 1 138 . 1 1 21 21 ASP H H 1 7.86 0.03 . 1 . . . . . . . . 4769 1 139 . 1 1 21 21 ASP HA H 1 4.69 0.03 . 1 . . . . . . . . 4769 1 140 . 1 1 21 21 ASP HB2 H 1 2.55 0.03 . 2 . . . . . . . . 4769 1 141 . 1 1 21 21 ASP HB3 H 1 2.97 0.03 . 2 . . . . . . . . 4769 1 142 . 1 1 21 21 ASP CA C 13 55.76 0.20 . 1 . . . . . . . . 4769 1 143 . 1 1 21 21 ASP CB C 13 40.93 0.20 . 1 . . . . . . . . 4769 1 144 . 1 1 21 21 ASP N N 15 123.52 0.20 . 1 . . . . . . . . 4769 1 145 . 1 1 22 22 THR H H 1 7.98 0.03 . 1 . . . . . . . . 4769 1 146 . 1 1 22 22 THR HA H 1 4.96 0.03 . 1 . . . . . . . . 4769 1 147 . 1 1 22 22 THR CA C 13 59.62 0.20 . 1 . . . . . . . . 4769 1 148 . 1 1 22 22 THR CB C 13 71.46 0.20 . 1 . . . . . . . . 4769 1 149 . 1 1 22 22 THR N N 15 108.50 0.20 . 1 . . . . . . . . 4769 1 150 . 1 1 23 23 ILE H H 1 8.73 0.03 . 1 . . . . . . . . 4769 1 151 . 1 1 23 23 ILE HA H 1 3.61 0.03 . 1 . . . . . . . . 4769 1 152 . 1 1 23 23 ILE HB H 1 2.42 0.03 . 1 . . . . . . . . 4769 1 153 . 1 1 23 23 ILE HG21 H 1 0.78 0.03 . 1 . . . . . . . . 4769 1 154 . 1 1 23 23 ILE HG22 H 1 0.78 0.03 . 1 . . . . . . . . 4769 1 155 . 1 1 23 23 ILE HG23 H 1 0.78 0.03 . 1 . . . . . . . . 4769 1 156 . 1 1 23 23 ILE CA C 13 62.03 0.20 . 1 . . . . . . . . 4769 1 157 . 1 1 23 23 ILE CB C 13 34.97 0.20 . 1 . . . . . . . . 4769 1 158 . 1 1 23 23 ILE N N 15 121.44 0.20 . 1 . . . . . . . . 4769 1 159 . 1 1 24 24 ASP H H 1 9.51 0.03 . 1 . . . . . . . . 4769 1 160 . 1 1 24 24 ASP HA H 1 4.20 0.03 . 1 . . . . . . . . 4769 1 161 . 1 1 24 24 ASP HB3 H 1 2.62 0.03 . 2 . . . . . . . . 4769 1 162 . 1 1 24 24 ASP CA C 13 56.88 0.20 . 1 . . . . . . . . 4769 1 163 . 1 1 24 24 ASP CB C 13 39.73 0.20 . 1 . . . . . . . . 4769 1 164 . 1 1 24 24 ASP N N 15 118.15 0.20 . 1 . . . . . . . . 4769 1 165 . 1 1 25 25 ASN H H 1 8.03 0.03 . 1 . . . . . . . . 4769 1 166 . 1 1 25 25 ASN HA H 1 4.50 0.03 . 1 . . . . . . . . 4769 1 167 . 1 1 25 25 ASN HB2 H 1 2.90 0.03 . 2 . . . . . . . . 4769 1 168 . 1 1 25 25 ASN HB3 H 1 3.19 0.03 . 2 . . . . . . . . 4769 1 169 . 1 1 25 25 ASN HD21 H 1 7.85 0.03 . 2 . . . . . . . . 4769 1 170 . 1 1 25 25 ASN HD22 H 1 6.90 0.03 . 2 . . . . . . . . 4769 1 171 . 1 1 25 25 ASN CA C 13 56.17 0.20 . 1 . . . . . . . . 4769 1 172 . 1 1 25 25 ASN CB C 13 38.80 0.20 . 1 . . . . . . . . 4769 1 173 . 1 1 25 25 ASN N N 15 119.65 0.20 . 1 . . . . . . . . 4769 1 174 . 1 1 25 25 ASN ND2 N 15 109.90 0.20 . 1 . . . . . . . . 4769 1 175 . 1 1 26 26 VAL H H 1 8.12 0.03 . 1 . . . . . . . . 4769 1 176 . 1 1 26 26 VAL HA H 1 3.37 0.03 . 1 . . . . . . . . 4769 1 177 . 1 1 26 26 VAL HB H 1 2.35 0.03 . 1 . . . . . . . . 4769 1 178 . 1 1 26 26 VAL HG11 H 1 0.70 0.03 . 2 . . . . . . . . 4769 1 179 . 1 1 26 26 VAL HG12 H 1 0.70 0.03 . 2 . . . . . . . . 4769 1 180 . 1 1 26 26 VAL HG13 H 1 0.70 0.03 . 2 . . . . . . . . 4769 1 181 . 1 1 26 26 VAL HG21 H 1 0.99 0.03 . 2 . . . . . . . . 4769 1 182 . 1 1 26 26 VAL HG22 H 1 0.99 0.03 . 2 . . . . . . . . 4769 1 183 . 1 1 26 26 VAL HG23 H 1 0.99 0.03 . 2 . . . . . . . . 4769 1 184 . 1 1 26 26 VAL CA C 13 67.64 0.20 . 1 . . . . . . . . 4769 1 185 . 1 1 26 26 VAL CB C 13 30.37 0.20 . 1 . . . . . . . . 4769 1 186 . 1 1 26 26 VAL N N 15 122.14 0.20 . 1 . . . . . . . . 4769 1 187 . 1 1 27 27 LYS H H 1 8.58 0.03 . 1 . . . . . . . . 4769 1 188 . 1 1 27 27 LYS HA H 1 4.62 0.03 . 1 . . . . . . . . 4769 1 189 . 1 1 27 27 LYS HB2 H 1 2.09 0.03 . 2 . . . . . . . . 4769 1 190 . 1 1 27 27 LYS HB3 H 1 1.44 0.03 . 2 . . . . . . . . 4769 1 191 . 1 1 27 27 LYS CA C 13 59.35 0.20 . 1 . . . . . . . . 4769 1 192 . 1 1 27 27 LYS CB C 13 33.57 0.20 . 1 . . . . . . . . 4769 1 193 . 1 1 27 27 LYS N N 15 118.89 0.20 . 1 . . . . . . . . 4769 1 194 . 1 1 28 28 SER H H 1 8.14 0.03 . 1 . . . . . . . . 4769 1 195 . 1 1 28 28 SER HA H 1 4.19 0.03 . 1 . . . . . . . . 4769 1 196 . 1 1 28 28 SER CA C 13 62.40 0.20 . 1 . . . . . . . . 4769 1 197 . 1 1 28 28 SER N N 15 117.45 0.20 . 1 . . . . . . . . 4769 1 198 . 1 1 29 29 LYS H H 1 7.97 0.03 . 1 . . . . . . . . 4769 1 199 . 1 1 29 29 LYS HA H 1 4.22 0.03 . 1 . . . . . . . . 4769 1 200 . 1 1 29 29 LYS HB2 H 1 1.93 0.03 . 2 . . . . . . . . 4769 1 201 . 1 1 29 29 LYS HB3 H 1 2.13 0.03 . 2 . . . . . . . . 4769 1 202 . 1 1 29 29 LYS HG2 H 1 1.60 0.03 . 2 . . . . . . . . 4769 1 203 . 1 1 29 29 LYS HG3 H 1 1.77 0.03 . 2 . . . . . . . . 4769 1 204 . 1 1 29 29 LYS HE3 H 1 3.21 0.03 . 2 . . . . . . . . 4769 1 205 . 1 1 29 29 LYS CA C 13 59.75 0.20 . 1 . . . . . . . . 4769 1 206 . 1 1 29 29 LYS CB C 13 33.27 0.20 . 1 . . . . . . . . 4769 1 207 . 1 1 29 29 LYS N N 15 123.25 0.20 . 1 . . . . . . . . 4769 1 208 . 1 1 30 30 ILE H H 1 8.33 0.03 . 1 . . . . . . . . 4769 1 209 . 1 1 30 30 ILE HA H 1 3.51 0.03 . 1 . . . . . . . . 4769 1 210 . 1 1 30 30 ILE HB H 1 2.35 0.03 . 1 . . . . . . . . 4769 1 211 . 1 1 30 30 ILE HG13 H 1 0.72 0.03 . 2 . . . . . . . . 4769 1 212 . 1 1 30 30 ILE CA C 13 65.99 0.20 . 1 . . . . . . . . 4769 1 213 . 1 1 30 30 ILE CB C 13 36.79 0.20 . 1 . . . . . . . . 4769 1 214 . 1 1 30 30 ILE N N 15 121.27 0.20 . 1 . . . . . . . . 4769 1 215 . 1 1 31 31 GLN H H 1 8.53 0.03 . 1 . . . . . . . . 4769 1 216 . 1 1 31 31 GLN HA H 1 3.83 0.03 . 1 . . . . . . . . 4769 1 217 . 1 1 31 31 GLN HB2 H 1 1.95 0.03 . 2 . . . . . . . . 4769 1 218 . 1 1 31 31 GLN HB3 H 1 2.54 0.03 . 2 . . . . . . . . 4769 1 219 . 1 1 31 31 GLN HE21 H 1 7.68 0.03 . 2 . . . . . . . . 4769 1 220 . 1 1 31 31 GLN HE22 H 1 6.84 0.03 . 2 . . . . . . . . 4769 1 221 . 1 1 31 31 GLN CA C 13 59.98 0.20 . 1 . . . . . . . . 4769 1 222 . 1 1 31 31 GLN CB C 13 27.78 0.20 . 1 . . . . . . . . 4769 1 223 . 1 1 31 31 GLN N N 15 123.69 0.20 . 1 . . . . . . . . 4769 1 224 . 1 1 31 31 GLN NE2 N 15 109.80 0.20 . 1 . . . . . . . . 4769 1 225 . 1 1 32 32 ASP H H 1 8.08 0.03 . 1 . . . . . . . . 4769 1 226 . 1 1 32 32 ASP HA H 1 4.33 0.03 . 1 . . . . . . . . 4769 1 227 . 1 1 32 32 ASP HB2 H 1 2.86 0.03 . 2 . . . . . . . . 4769 1 228 . 1 1 32 32 ASP HB3 H 1 2.78 0.03 . 2 . . . . . . . . 4769 1 229 . 1 1 32 32 ASP CA C 13 56.81 0.20 . 1 . . . . . . . . 4769 1 230 . 1 1 32 32 ASP CB C 13 40.87 0.20 . 1 . . . . . . . . 4769 1 231 . 1 1 32 32 ASP N N 15 120.02 0.20 . 1 . . . . . . . . 4769 1 232 . 1 1 33 33 LYS H H 1 7.46 0.03 . 1 . . . . . . . . 4769 1 233 . 1 1 33 33 LYS HA H 1 4.32 0.03 . 1 . . . . . . . . 4769 1 234 . 1 1 33 33 LYS HB2 H 1 1.85 0.03 . 2 . . . . . . . . 4769 1 235 . 1 1 33 33 LYS HB3 H 1 2.04 0.03 . 2 . . . . . . . . 4769 1 236 . 1 1 33 33 LYS HG3 H 1 1.61 0.03 . 2 . . . . . . . . 4769 1 237 . 1 1 33 33 LYS CA C 13 58.02 0.20 . 1 . . . . . . . . 4769 1 238 . 1 1 33 33 LYS CB C 13 34.08 0.20 . 1 . . . . . . . . 4769 1 239 . 1 1 33 33 LYS N N 15 115.83 0.20 . 1 . . . . . . . . 4769 1 240 . 1 1 34 34 GLU H H 1 8.75 0.03 . 1 . . . . . . . . 4769 1 241 . 1 1 34 34 GLU HA H 1 4.58 0.03 . 1 . . . . . . . . 4769 1 242 . 1 1 34 34 GLU HB2 H 1 1.69 0.03 . 2 . . . . . . . . 4769 1 243 . 1 1 34 34 GLU HB3 H 1 2.27 0.03 . 2 . . . . . . . . 4769 1 244 . 1 1 34 34 GLU HG3 H 1 2.10 0.03 . 2 . . . . . . . . 4769 1 245 . 1 1 34 34 GLU CA C 13 55.31 0.20 . 1 . . . . . . . . 4769 1 246 . 1 1 34 34 GLU CB C 13 33.49 0.20 . 1 . . . . . . . . 4769 1 247 . 1 1 34 34 GLU N N 15 114.49 0.20 . 1 . . . . . . . . 4769 1 248 . 1 1 35 35 GLY H H 1 8.52 0.03 . 1 . . . . . . . . 4769 1 249 . 1 1 35 35 GLY HA2 H 1 4.14 0.03 . 2 . . . . . . . . 4769 1 250 . 1 1 35 35 GLY HA3 H 1 3.93 0.03 . 2 . . . . . . . . 4769 1 251 . 1 1 35 35 GLY CA C 13 46.02 0.20 . 1 . . . . . . . . 4769 1 252 . 1 1 35 35 GLY N N 15 108.93 0.20 . 1 . . . . . . . . 4769 1 253 . 1 1 36 36 ILE H H 1 6.18 0.03 . 1 . . . . . . . . 4769 1 254 . 1 1 36 36 ILE HA H 1 4.44 0.03 . 1 . . . . . . . . 4769 1 255 . 1 1 36 36 ILE HB H 1 1.43 0.03 . 1 . . . . . . . . 4769 1 256 . 1 1 36 36 ILE HG13 H 1 1.10 0.03 . 2 . . . . . . . . 4769 1 257 . 1 1 36 36 ILE HD11 H 1 0.79 0.03 . 1 . . . . . . . . 4769 1 258 . 1 1 36 36 ILE HD12 H 1 0.79 0.03 . 1 . . . . . . . . 4769 1 259 . 1 1 36 36 ILE HD13 H 1 0.79 0.03 . 1 . . . . . . . . 4769 1 260 . 1 1 36 36 ILE CA C 13 57.73 0.20 . 1 . . . . . . . . 4769 1 261 . 1 1 36 36 ILE CB C 13 40.46 0.20 . 1 . . . . . . . . 4769 1 262 . 1 1 36 36 ILE N N 15 120.40 0.20 . 1 . . . . . . . . 4769 1 263 . 1 1 38 38 PRO CA C 13 66.05 0.20 . 1 . . . . . . . . 4769 1 264 . 1 1 38 38 PRO CB C 13 32.97 0.20 . 1 . . . . . . . . 4769 1 265 . 1 1 39 39 ASP H H 1 8.51 0.03 . 1 . . . . . . . . 4769 1 266 . 1 1 39 39 ASP HA H 1 4.41 0.03 . 1 . . . . . . . . 4769 1 267 . 1 1 39 39 ASP HB2 H 1 2.76 0.03 . 2 . . . . . . . . 4769 1 268 . 1 1 39 39 ASP HB3 H 1 2.69 0.03 . 2 . . . . . . . . 4769 1 269 . 1 1 39 39 ASP CA C 13 55.67 0.20 . 1 . . . . . . . . 4769 1 270 . 1 1 39 39 ASP CB C 13 39.79 0.20 . 1 . . . . . . . . 4769 1 271 . 1 1 39 39 ASP N N 15 113.54 0.20 . 1 . . . . . . . . 4769 1 272 . 1 1 40 40 GLN H H 1 7.84 0.03 . 1 . . . . . . . . 4769 1 273 . 1 1 40 40 GLN HA H 1 4.46 0.03 . 1 . . . . . . . . 4769 1 274 . 1 1 40 40 GLN HB2 H 1 2.43 0.03 . 2 . . . . . . . . 4769 1 275 . 1 1 40 40 GLN HB3 H 1 1.84 0.03 . 2 . . . . . . . . 4769 1 276 . 1 1 40 40 GLN HE21 H 1 7.68 0.03 . 2 . . . . . . . . 4769 1 277 . 1 1 40 40 GLN HE22 H 1 6.84 0.03 . 2 . . . . . . . . 4769 1 278 . 1 1 40 40 GLN CA C 13 55.58 0.20 . 1 . . . . . . . . 4769 1 279 . 1 1 40 40 GLN CB C 13 30.12 0.20 . 1 . . . . . . . . 4769 1 280 . 1 1 40 40 GLN N N 15 117.00 0.20 . 1 . . . . . . . . 4769 1 281 . 1 1 40 40 GLN NE2 N 15 110.35 0.20 . 1 . . . . . . . . 4769 1 282 . 1 1 41 41 GLN H H 1 7.49 0.03 . 1 . . . . . . . . 4769 1 283 . 1 1 41 41 GLN HA H 1 4.23 0.03 . 1 . . . . . . . . 4769 1 284 . 1 1 41 41 GLN HB2 H 1 1.95 0.03 . 1 . . . . . . . . 4769 1 285 . 1 1 41 41 GLN HB3 H 1 1.95 0.03 . 1 . . . . . . . . 4769 1 286 . 1 1 41 41 GLN HG2 H 1 2.54 0.03 . 2 . . . . . . . . 4769 1 287 . 1 1 41 41 GLN HG3 H 1 1.67 0.03 . 2 . . . . . . . . 4769 1 288 . 1 1 41 41 GLN HE21 H 1 6.51 0.03 . 2 . . . . . . . . 4769 1 289 . 1 1 41 41 GLN HE22 H 1 6.22 0.03 . 2 . . . . . . . . 4769 1 290 . 1 1 41 41 GLN CA C 13 56.40 0.20 . 1 . . . . . . . . 4769 1 291 . 1 1 41 41 GLN CB C 13 31.43 0.20 . 1 . . . . . . . . 4769 1 292 . 1 1 41 41 GLN N N 15 118.19 0.20 . 1 . . . . . . . . 4769 1 293 . 1 1 41 41 GLN NE2 N 15 104.37 0.20 . 1 . . . . . . . . 4769 1 294 . 1 1 42 42 ARG H H 1 8.53 0.03 . 1 . . . . . . . . 4769 1 295 . 1 1 42 42 ARG HA H 1 4.50 0.03 . 1 . . . . . . . . 4769 1 296 . 1 1 42 42 ARG HB3 H 1 1.67 0.03 . 2 . . . . . . . . 4769 1 297 . 1 1 42 42 ARG HG3 H 1 1.41 0.03 . 2 . . . . . . . . 4769 1 298 . 1 1 42 42 ARG HD3 H 1 3.10 0.03 . 2 . . . . . . . . 4769 1 299 . 1 1 42 42 ARG CA C 13 55.55 0.20 . 1 . . . . . . . . 4769 1 300 . 1 1 42 42 ARG CB C 13 31.62 0.20 . 1 . . . . . . . . 4769 1 301 . 1 1 42 42 ARG N N 15 123.27 0.20 . 1 . . . . . . . . 4769 1 302 . 1 1 43 43 LEU H H 1 8.79 0.03 . 1 . . . . . . . . 4769 1 303 . 1 1 43 43 LEU HA H 1 5.39 0.03 . 1 . . . . . . . . 4769 1 304 . 1 1 43 43 LEU HB2 H 1 1.17 0.03 . 2 . . . . . . . . 4769 1 305 . 1 1 43 43 LEU HB3 H 1 1.56 0.03 . 2 . . . . . . . . 4769 1 306 . 1 1 43 43 LEU CA C 13 52.94 0.20 . 1 . . . . . . . . 4769 1 307 . 1 1 43 43 LEU CB C 13 45.77 0.20 . 1 . . . . . . . . 4769 1 308 . 1 1 43 43 LEU N N 15 124.56 0.20 . 1 . . . . . . . . 4769 1 309 . 1 1 44 44 ILE H H 1 9.15 0.03 . 1 . . . . . . . . 4769 1 310 . 1 1 44 44 ILE HA H 1 4.90 0.03 . 1 . . . . . . . . 4769 1 311 . 1 1 44 44 ILE HB H 1 1.75 0.03 . 1 . . . . . . . . 4769 1 312 . 1 1 44 44 ILE HG13 H 1 1.05 0.03 . 2 . . . . . . . . 4769 1 313 . 1 1 44 44 ILE CA C 13 58.93 0.20 . 1 . . . . . . . . 4769 1 314 . 1 1 44 44 ILE CB C 13 41.25 0.20 . 1 . . . . . . . . 4769 1 315 . 1 1 44 44 ILE N N 15 122.48 0.20 . 1 . . . . . . . . 4769 1 316 . 1 1 45 45 PHE H H 1 8.85 0.03 . 1 . . . . . . . . 4769 1 317 . 1 1 45 45 PHE HA H 1 5.21 0.03 . 1 . . . . . . . . 4769 1 318 . 1 1 45 45 PHE HB2 H 1 3.03 0.03 . 2 . . . . . . . . 4769 1 319 . 1 1 45 45 PHE HB3 H 1 2.82 0.03 . 2 . . . . . . . . 4769 1 320 . 1 1 45 45 PHE CA C 13 56.27 0.20 . 1 . . . . . . . . 4769 1 321 . 1 1 45 45 PHE CB C 13 43.50 0.20 . 1 . . . . . . . . 4769 1 322 . 1 1 45 45 PHE N N 15 124.86 0.20 . 1 . . . . . . . . 4769 1 323 . 1 1 46 46 ALA CA C 13 52.37 0.20 . 1 . . . . . . . . 4769 1 324 . 1 1 46 46 ALA CB C 13 16.60 0.20 . 1 . . . . . . . . 4769 1 325 . 1 1 47 47 GLY H H 1 8.08 0.03 . 1 . . . . . . . . 4769 1 326 . 1 1 47 47 GLY HA2 H 1 3.46 0.03 . 2 . . . . . . . . 4769 1 327 . 1 1 47 47 GLY HA3 H 1 4.11 0.03 . 2 . . . . . . . . 4769 1 328 . 1 1 47 47 GLY CA C 13 45.38 0.20 . 1 . . . . . . . . 4769 1 329 . 1 1 47 47 GLY N N 15 102.51 0.20 . 1 . . . . . . . . 4769 1 330 . 1 1 48 48 ARG H H 1 7.99 0.03 . 1 . . . . . . . . 4769 1 331 . 1 1 48 48 ARG HA H 1 4.64 0.03 . 1 . . . . . . . . 4769 1 332 . 1 1 48 48 ARG HB2 H 1 2.24 0.03 . 2 . . . . . . . . 4769 1 333 . 1 1 48 48 ARG HB3 H 1 1.94 0.03 . 2 . . . . . . . . 4769 1 334 . 1 1 48 48 ARG HG3 H 1 1.75 0.03 . 2 . . . . . . . . 4769 1 335 . 1 1 48 48 ARG HD3 H 1 3.37 0.03 . 1 . . . . . . . . 4769 1 336 . 1 1 48 48 ARG CA C 13 54.45 0.20 . 1 . . . . . . . . 4769 1 337 . 1 1 48 48 ARG CB C 13 32.55 0.20 . 1 . . . . . . . . 4769 1 338 . 1 1 48 48 ARG N N 15 121.54 0.20 . 1 . . . . . . . . 4769 1 339 . 1 1 49 49 GLN H H 1 8.69 0.03 . 1 . . . . . . . . 4769 1 340 . 1 1 49 49 GLN HA H 1 4.53 0.03 . 1 . . . . . . . . 4769 1 341 . 1 1 49 49 GLN HB2 H 1 2.26 0.03 . 2 . . . . . . . . 4769 1 342 . 1 1 49 49 GLN HB3 H 1 2.00 0.03 . 2 . . . . . . . . 4769 1 343 . 1 1 49 49 GLN HE21 H 1 7.70 0.03 . 2 . . . . . . . . 4769 1 344 . 1 1 49 49 GLN HE22 H 1 6.73 0.03 . 2 . . . . . . . . 4769 1 345 . 1 1 49 49 GLN CA C 13 55.63 0.20 . 1 . . . . . . . . 4769 1 346 . 1 1 49 49 GLN CB C 13 29.01 0.20 . 1 . . . . . . . . 4769 1 347 . 1 1 49 49 GLN N N 15 123.53 0.20 . 1 . . . . . . . . 4769 1 348 . 1 1 49 49 GLN NE2 N 15 111.93 0.20 . 1 . . . . . . . . 4769 1 349 . 1 1 50 50 LEU H H 1 8.56 0.03 . 1 . . . . . . . . 4769 1 350 . 1 1 50 50 LEU HA H 1 4.08 0.03 . 1 . . . . . . . . 4769 1 351 . 1 1 50 50 LEU HB2 H 1 0.99 0.03 . 2 . . . . . . . . 4769 1 352 . 1 1 50 50 LEU HB3 H 1 1.50 0.03 . 2 . . . . . . . . 4769 1 353 . 1 1 50 50 LEU CA C 13 54.16 0.20 . 1 . . . . . . . . 4769 1 354 . 1 1 50 50 LEU CB C 13 41.43 0.20 . 1 . . . . . . . . 4769 1 355 . 1 1 50 50 LEU N N 15 125.70 0.20 . 1 . . . . . . . . 4769 1 356 . 1 1 51 51 GLU H H 1 8.35 0.03 . 1 . . . . . . . . 4769 1 357 . 1 1 51 51 GLU HA H 1 4.48 0.03 . 1 . . . . . . . . 4769 1 358 . 1 1 51 51 GLU HB2 H 1 1.97 0.03 . 2 . . . . . . . . 4769 1 359 . 1 1 51 51 GLU HB3 H 1 2.27 0.03 . 2 . . . . . . . . 4769 1 360 . 1 1 51 51 GLU HG3 H 1 2.36 0.03 . 2 . . . . . . . . 4769 1 361 . 1 1 51 51 GLU CA C 13 55.94 0.20 . 1 . . . . . . . . 4769 1 362 . 1 1 51 51 GLU CB C 13 31.95 0.20 . 1 . . . . . . . . 4769 1 363 . 1 1 51 51 GLU N N 15 123.19 0.20 . 1 . . . . . . . . 4769 1 364 . 1 1 52 52 ASP H H 1 8.10 0.03 . 1 . . . . . . . . 4769 1 365 . 1 1 52 52 ASP HA H 1 4.33 0.03 . 1 . . . . . . . . 4769 1 366 . 1 1 52 52 ASP HB3 H 1 2.47 0.03 . 2 . . . . . . . . 4769 1 367 . 1 1 52 52 ASP CA C 13 56.76 0.20 . 1 . . . . . . . . 4769 1 368 . 1 1 52 52 ASP CB C 13 40.85 0.20 . 1 . . . . . . . . 4769 1 369 . 1 1 52 52 ASP N N 15 120.26 0.20 . 1 . . . . . . . . 4769 1 370 . 1 1 53 53 GLY H H 1 9.60 0.03 . 1 . . . . . . . . 4769 1 371 . 1 1 53 53 GLY HA3 H 1 4.04 0.03 . 2 . . . . . . . . 4769 1 372 . 1 1 53 53 GLY CA C 13 45.21 0.20 . 1 . . . . . . . . 4769 1 373 . 1 1 53 53 GLY N N 15 107.84 0.20 . 1 . . . . . . . . 4769 1 374 . 1 1 54 54 ARG H H 1 7.41 0.03 . 1 . . . . . . . . 4769 1 375 . 1 1 54 54 ARG HA H 1 4.72 0.03 . 1 . . . . . . . . 4769 1 376 . 1 1 54 54 ARG HB3 H 1 2.26 0.03 . 2 . . . . . . . . 4769 1 377 . 1 1 54 54 ARG HG2 H 1 1.62 0.03 . 2 . . . . . . . . 4769 1 378 . 1 1 54 54 ARG HG3 H 1 1.83 0.03 . 2 . . . . . . . . 4769 1 379 . 1 1 54 54 ARG HD3 H 1 3.14 0.03 . 2 . . . . . . . . 4769 1 380 . 1 1 54 54 ARG CA C 13 54.41 0.20 . 1 . . . . . . . . 4769 1 381 . 1 1 54 54 ARG CB C 13 32.40 0.20 . 1 . . . . . . . . 4769 1 382 . 1 1 54 54 ARG N N 15 119.21 0.20 . 1 . . . . . . . . 4769 1 383 . 1 1 55 55 THR H H 1 8.87 0.03 . 1 . . . . . . . . 4769 1 384 . 1 1 55 55 THR HA H 1 5.22 0.03 . 1 . . . . . . . . 4769 1 385 . 1 1 55 55 THR HB H 1 4.50 0.03 . 1 . . . . . . . . 4769 1 386 . 1 1 55 55 THR CA C 13 59.85 0.20 . 1 . . . . . . . . 4769 1 387 . 1 1 55 55 THR CB C 13 72.28 0.20 . 1 . . . . . . . . 4769 1 388 . 1 1 55 55 THR N N 15 109.20 0.20 . 1 . . . . . . . . 4769 1 389 . 1 1 56 56 LEU H H 1 8.20 0.03 . 1 . . . . . . . . 4769 1 390 . 1 1 56 56 LEU HA H 1 4.06 0.03 . 1 . . . . . . . . 4769 1 391 . 1 1 56 56 LEU HB2 H 1 1.26 0.03 . 2 . . . . . . . . 4769 1 392 . 1 1 56 56 LEU HB3 H 1 2.07 0.03 . 2 . . . . . . . . 4769 1 393 . 1 1 56 56 LEU CA C 13 59.12 0.20 . 1 . . . . . . . . 4769 1 394 . 1 1 56 56 LEU CB C 13 40.14 0.20 . 1 . . . . . . . . 4769 1 395 . 1 1 56 56 LEU N N 15 118.36 0.20 . 1 . . . . . . . . 4769 1 396 . 1 1 57 57 SER H H 1 8.29 0.03 . 1 . . . . . . . . 4769 1 397 . 1 1 57 57 SER HA H 1 4.26 0.03 . 1 . . . . . . . . 4769 1 398 . 1 1 57 57 SER HB3 H 1 3.80 0.03 . 2 . . . . . . . . 4769 1 399 . 1 1 57 57 SER CA C 13 60.64 0.20 . 1 . . . . . . . . 4769 1 400 . 1 1 57 57 SER CB C 13 62.63 0.20 . 1 . . . . . . . . 4769 1 401 . 1 1 57 57 SER N N 15 113.23 0.20 . 1 . . . . . . . . 4769 1 402 . 1 1 58 58 ASP H H 1 7.91 0.03 . 1 . . . . . . . . 4769 1 403 . 1 1 58 58 ASP HA H 1 4.29 0.03 . 1 . . . . . . . . 4769 1 404 . 1 1 58 58 ASP HB2 H 1 2.26 0.03 . 2 . . . . . . . . 4769 1 405 . 1 1 58 58 ASP HB3 H 1 2.99 0.03 . 2 . . . . . . . . 4769 1 406 . 1 1 58 58 ASP CA C 13 57.33 0.20 . 1 . . . . . . . . 4769 1 407 . 1 1 58 58 ASP CB C 13 40.34 0.20 . 1 . . . . . . . . 4769 1 408 . 1 1 58 58 ASP N N 15 124.27 0.20 . 1 . . . . . . . . 4769 1 409 . 1 1 59 59 TYR H H 1 7.25 0.03 . 1 . . . . . . . . 4769 1 410 . 1 1 59 59 TYR HA H 1 4.64 0.03 . 1 . . . . . . . . 4769 1 411 . 1 1 59 59 TYR HB2 H 1 2.51 0.03 . 2 . . . . . . . . 4769 1 412 . 1 1 59 59 TYR HB3 H 1 3.45 0.03 . 2 . . . . . . . . 4769 1 413 . 1 1 59 59 TYR CA C 13 57.93 0.20 . 1 . . . . . . . . 4769 1 414 . 1 1 59 59 TYR CB C 13 40.12 0.20 . 1 . . . . . . . . 4769 1 415 . 1 1 59 59 TYR N N 15 115.73 0.20 . 1 . . . . . . . . 4769 1 416 . 1 1 60 60 ASN H H 1 8.15 0.03 . 1 . . . . . . . . 4769 1 417 . 1 1 60 60 ASN HA H 1 4.34 0.03 . 1 . . . . . . . . 4769 1 418 . 1 1 60 60 ASN HB2 H 1 2.79 0.03 . 2 . . . . . . . . 4769 1 419 . 1 1 60 60 ASN HB3 H 1 3.30 0.03 . 2 . . . . . . . . 4769 1 420 . 1 1 60 60 ASN HD21 H 1 6.82 0.03 . 2 . . . . . . . . 4769 1 421 . 1 1 60 60 ASN HD22 H 1 7.55 0.03 . 2 . . . . . . . . 4769 1 422 . 1 1 60 60 ASN CA C 13 54.04 0.20 . 1 . . . . . . . . 4769 1 423 . 1 1 60 60 ASN CB C 13 37.43 0.20 . 1 . . . . . . . . 4769 1 424 . 1 1 60 60 ASN N N 15 116.19 0.20 . 1 . . . . . . . . 4769 1 425 . 1 1 60 60 ASN ND2 N 15 111.52 0.20 . 1 . . . . . . . . 4769 1 426 . 1 1 61 61 ILE H H 1 7.23 0.03 . 1 . . . . . . . . 4769 1 427 . 1 1 61 61 ILE HA H 1 3.40 0.03 . 1 . . . . . . . . 4769 1 428 . 1 1 61 61 ILE HB H 1 1.40 0.03 . 1 . . . . . . . . 4769 1 429 . 1 1 61 61 ILE HG21 H 1 0.49 0.03 . 1 . . . . . . . . 4769 1 430 . 1 1 61 61 ILE HG22 H 1 0.49 0.03 . 1 . . . . . . . . 4769 1 431 . 1 1 61 61 ILE HG23 H 1 0.49 0.03 . 1 . . . . . . . . 4769 1 432 . 1 1 61 61 ILE CA C 13 62.32 0.20 . 1 . . . . . . . . 4769 1 433 . 1 1 61 61 ILE CB C 13 36.96 0.20 . 1 . . . . . . . . 4769 1 434 . 1 1 61 61 ILE N N 15 118.77 0.20 . 1 . . . . . . . . 4769 1 435 . 1 1 62 62 GLN H H 1 7.66 0.03 . 1 . . . . . . . . 4769 1 436 . 1 1 62 62 GLN HA H 1 4.48 0.03 . 1 . . . . . . . . 4769 1 437 . 1 1 62 62 GLN HB2 H 1 1.90 0.03 . 2 . . . . . . . . 4769 1 438 . 1 1 62 62 GLN HB3 H 1 2.28 0.03 . 2 . . . . . . . . 4769 1 439 . 1 1 62 62 GLN HE21 H 1 7.29 0.03 . 2 . . . . . . . . 4769 1 440 . 1 1 62 62 GLN HE22 H 1 6.82 0.03 . 2 . . . . . . . . 4769 1 441 . 1 1 62 62 GLN CA C 13 53.58 0.20 . 1 . . . . . . . . 4769 1 442 . 1 1 62 62 GLN CB C 13 31.67 0.20 . 1 . . . . . . . . 4769 1 443 . 1 1 62 62 GLN N N 15 125.25 0.20 . 1 . . . . . . . . 4769 1 444 . 1 1 62 62 GLN NE2 N 15 112.39 0.20 . 1 . . . . . . . . 4769 1 445 . 1 1 63 63 LYS H H 1 8.46 0.03 . 1 . . . . . . . . 4769 1 446 . 1 1 63 63 LYS HA H 1 3.99 0.03 . 1 . . . . . . . . 4769 1 447 . 1 1 63 63 LYS CA C 13 57.81 0.20 . 1 . . . . . . . . 4769 1 448 . 1 1 63 63 LYS CB C 13 32.43 0.20 . 1 . . . . . . . . 4769 1 449 . 1 1 63 63 LYS N N 15 120.66 0.20 . 1 . . . . . . . . 4769 1 450 . 1 1 64 64 GLU H H 1 9.30 0.03 . 1 . . . . . . . . 4769 1 451 . 1 1 64 64 GLU HA H 1 3.34 0.03 . 1 . . . . . . . . 4769 1 452 . 1 1 64 64 GLU CA C 13 58.05 0.20 . 1 . . . . . . . . 4769 1 453 . 1 1 64 64 GLU CB C 13 26.08 0.20 . 1 . . . . . . . . 4769 1 454 . 1 1 64 64 GLU N N 15 114.73 0.20 . 1 . . . . . . . . 4769 1 455 . 1 1 65 65 SER H H 1 7.66 0.03 . 1 . . . . . . . . 4769 1 456 . 1 1 65 65 SER HA H 1 4.64 0.03 . 1 . . . . . . . . 4769 1 457 . 1 1 65 65 SER HB2 H 1 3.62 0.03 . 2 . . . . . . . . 4769 1 458 . 1 1 65 65 SER HB3 H 1 3.89 0.03 . 2 . . . . . . . . 4769 1 459 . 1 1 65 65 SER CA C 13 60.75 0.20 . 1 . . . . . . . . 4769 1 460 . 1 1 65 65 SER CB C 13 64.78 0.20 . 1 . . . . . . . . 4769 1 461 . 1 1 65 65 SER N N 15 114.99 0.20 . 1 . . . . . . . . 4769 1 462 . 1 1 66 66 THR H H 1 8.70 0.03 . 1 . . . . . . . . 4769 1 463 . 1 1 66 66 THR HA H 1 5.28 0.03 . 1 . . . . . . . . 4769 1 464 . 1 1 66 66 THR HB H 1 4.07 0.03 . 1 . . . . . . . . 4769 1 465 . 1 1 66 66 THR HG21 H 1 0.95 0.03 . 1 . . . . . . . . 4769 1 466 . 1 1 66 66 THR HG22 H 1 0.95 0.03 . 1 . . . . . . . . 4769 1 467 . 1 1 66 66 THR HG23 H 1 0.95 0.03 . 1 . . . . . . . . 4769 1 468 . 1 1 66 66 THR CA C 13 61.93 0.20 . 1 . . . . . . . . 4769 1 469 . 1 1 66 66 THR CB C 13 70.08 0.20 . 1 . . . . . . . . 4769 1 470 . 1 1 66 66 THR N N 15 117.65 0.20 . 1 . . . . . . . . 4769 1 471 . 1 1 67 67 LEU H H 1 9.42 0.03 . 1 . . . . . . . . 4769 1 472 . 1 1 67 67 LEU HA H 1 5.08 0.03 . 1 . . . . . . . . 4769 1 473 . 1 1 67 67 LEU HB3 H 1 1.64 0.03 . 2 . . . . . . . . 4769 1 474 . 1 1 67 67 LEU HD11 H 1 0.67 0.03 . 2 . . . . . . . . 4769 1 475 . 1 1 67 67 LEU HD12 H 1 0.67 0.03 . 2 . . . . . . . . 4769 1 476 . 1 1 67 67 LEU HD13 H 1 0.67 0.03 . 2 . . . . . . . . 4769 1 477 . 1 1 67 67 LEU CA C 13 53.77 0.20 . 1 . . . . . . . . 4769 1 478 . 1 1 67 67 LEU CB C 13 44.32 0.20 . 1 . . . . . . . . 4769 1 479 . 1 1 67 67 LEU N N 15 127.95 0.20 . 1 . . . . . . . . 4769 1 480 . 1 1 68 68 HIS H H 1 9.24 0.03 . 1 . . . . . . . . 4769 1 481 . 1 1 68 68 HIS HA H 1 5.13 0.03 . 1 . . . . . . . . 4769 1 482 . 1 1 68 68 HIS HB2 H 1 3.04 0.03 . 2 . . . . . . . . 4769 1 483 . 1 1 68 68 HIS HB3 H 1 2.87 0.03 . 2 . . . . . . . . 4769 1 484 . 1 1 68 68 HIS CA C 13 56.24 0.20 . 1 . . . . . . . . 4769 1 485 . 1 1 68 68 HIS CB C 13 32.68 0.20 . 1 . . . . . . . . 4769 1 486 . 1 1 68 68 HIS N N 15 119.92 0.20 . 1 . . . . . . . . 4769 1 487 . 1 1 69 69 LEU H H 1 8.29 0.03 . 1 . . . . . . . . 4769 1 488 . 1 1 69 69 LEU HA H 1 5.17 0.03 . 1 . . . . . . . . 4769 1 489 . 1 1 69 69 LEU HB2 H 1 1.63 0.03 . 2 . . . . . . . . 4769 1 490 . 1 1 69 69 LEU HB3 H 1 1.11 0.03 . 2 . . . . . . . . 4769 1 491 . 1 1 69 69 LEU HG H 1 1.34 0.03 . 1 . . . . . . . . 4769 1 492 . 1 1 69 69 LEU CA C 13 53.79 0.20 . 1 . . . . . . . . 4769 1 493 . 1 1 69 69 LEU CB C 13 44.23 0.20 . 1 . . . . . . . . 4769 1 494 . 1 1 69 69 LEU N N 15 123.91 0.20 . 1 . . . . . . . . 4769 1 495 . 1 1 70 70 VAL H H 1 9.18 0.03 . 1 . . . . . . . . 4769 1 496 . 1 1 70 70 VAL HA H 1 4.39 0.03 . 1 . . . . . . . . 4769 1 497 . 1 1 70 70 VAL HB H 1 2.05 0.03 . 1 . . . . . . . . 4769 1 498 . 1 1 70 70 VAL HG11 H 1 0.91 0.03 . 2 . . . . . . . . 4769 1 499 . 1 1 70 70 VAL HG12 H 1 0.91 0.03 . 2 . . . . . . . . 4769 1 500 . 1 1 70 70 VAL HG13 H 1 0.91 0.03 . 2 . . . . . . . . 4769 1 501 . 1 1 70 70 VAL HG21 H 1 0.86 0.03 . 2 . . . . . . . . 4769 1 502 . 1 1 70 70 VAL HG22 H 1 0.86 0.03 . 2 . . . . . . . . 4769 1 503 . 1 1 70 70 VAL HG23 H 1 0.86 0.03 . 2 . . . . . . . . 4769 1 504 . 1 1 70 70 VAL CA C 13 60.51 0.20 . 1 . . . . . . . . 4769 1 505 . 1 1 70 70 VAL CB C 13 34.76 0.20 . 1 . . . . . . . . 4769 1 506 . 1 1 70 70 VAL N N 15 126.63 0.20 . 1 . . . . . . . . 4769 1 507 . 1 1 71 71 LEU H H 1 8.11 0.03 . 1 . . . . . . . . 4769 1 508 . 1 1 71 71 LEU HA H 1 5.02 0.03 . 1 . . . . . . . . 4769 1 509 . 1 1 71 71 LEU HB2 H 1 1.68 0.03 . 2 . . . . . . . . 4769 1 510 . 1 1 71 71 LEU HB3 H 1 1.55 0.03 . 2 . . . . . . . . 4769 1 511 . 1 1 71 71 LEU HD11 H 1 0.96 0.03 . 2 . . . . . . . . 4769 1 512 . 1 1 71 71 LEU HD12 H 1 0.96 0.03 . 2 . . . . . . . . 4769 1 513 . 1 1 71 71 LEU HD13 H 1 0.96 0.03 . 2 . . . . . . . . 4769 1 514 . 1 1 71 71 LEU CA C 13 53.95 0.20 . 1 . . . . . . . . 4769 1 515 . 1 1 71 71 LEU CB C 13 42.82 0.20 . 1 . . . . . . . . 4769 1 516 . 1 1 71 71 LEU N N 15 123.21 0.20 . 1 . . . . . . . . 4769 1 517 . 1 1 72 72 ARG H H 1 8.59 0.03 . 1 . . . . . . . . 4769 1 518 . 1 1 72 72 ARG HA H 1 4.28 0.03 . 1 . . . . . . . . 4769 1 519 . 1 1 72 72 ARG HB2 H 1 1.54 0.03 . 2 . . . . . . . . 4769 1 520 . 1 1 72 72 ARG HB3 H 1 1.77 0.03 . 2 . . . . . . . . 4769 1 521 . 1 1 72 72 ARG HD3 H 1 3.16 0.03 . 2 . . . . . . . . 4769 1 522 . 1 1 72 72 ARG CA C 13 55.64 0.20 . 1 . . . . . . . . 4769 1 523 . 1 1 72 72 ARG N N 15 123.68 0.20 . 1 . . . . . . . . 4769 1 524 . 1 1 73 73 LEU H H 1 8.33 0.03 . 1 . . . . . . . . 4769 1 525 . 1 1 73 73 LEU HA H 1 4.40 0.03 . 1 . . . . . . . . 4769 1 526 . 1 1 73 73 LEU N N 15 124.48 0.20 . 1 . . . . . . . . 4769 1 527 . 1 1 76 76 GLY H H 1 7.93 0.03 . 1 . . . . . . . . 4769 1 528 . 1 1 76 76 GLY HA3 H 1 3.78 0.03 . 2 . . . . . . . . 4769 1 529 . 1 1 76 76 GLY CA C 13 45.86 0.20 . 1 . . . . . . . . 4769 1 530 . 1 1 76 76 GLY N N 15 115.19 0.20 . 1 . . . . . . . . 4769 1 stop_ save_