data_6251 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6251 _Entry.Title ; Backbone Chemical Shift Assignments for V66W121 fragment of Staphylococcal Nuclease ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-06-24 _Entry.Accession_date 2004-06-25 _Entry.Last_release_date 2004-08-03 _Entry.Original_release_date 2004-08-03 _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 Yingang Feng . . . 6251 2 Dongsheng Liu . . . 6251 3 Jinfeng Wang . . . 6251 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6251 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 170 6251 '15N chemical shifts' 107 6251 '13C chemical shifts' 141 6251 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 . . 2004-08-03 2004-06-24 original author . 6251 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6250 G88W121 6251 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6251 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12850150 _Citation.Full_citation . _Citation.Title ; Native-like partially folded conformations and folding process revealed in the N-terminal large fragments of staphylococcal nuclease: a study by NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 330 _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 821 _Citation.Page_last 837 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yingang Feng . . . 6251 1 2 Dongsheng Liu . . . 6251 1 3 Jinfeng Wang . . . 6251 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6251 _Assembly.ID 1 _Assembly.Name V66W121 _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 6251 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 V66W121 1 $V66W121 . . . native . . . . . 6251 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID V66W121 system 6251 1 V66W121 abbreviation 6251 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_V66W121 _Entity.Sf_category entity _Entity.Sf_framecode V66W121 _Entity.Entry_ID 6251 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name V66W121 _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 ; ATSTKKLHKEPATLIKAIDG DTVKLMYKGQPMTFRLLLVD TPETKHPKKGVEKYGPEASA FTKKMWENAKKIEVEFDKGQ RTDKYGRGLAYIYADGKMVN EALVRQGLAKVAYVYKPNNT H ; _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 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 136 . "micrococcal nuclease" . . . . . 100.00 156 98.35 99.17 1.67e-79 . . . . 6251 1 2 no BMRB 15357 . "SNase complex -subdomain" . . . . . 100.00 156 99.17 99.17 4.50e-80 . . . . 6251 1 3 no BMRB 1581 . "micrococcal nuclease" . . . . . 95.87 156 98.28 99.14 4.42e-76 . . . . 6251 1 4 no BMRB 1582 . "micrococcal nuclease" . . . . . 95.87 156 97.41 99.14 1.95e-75 . . . . 6251 1 5 no BMRB 16585 . SNase140 . . . . . 100.00 140 99.17 99.17 2.27e-80 . . . . 6251 1 6 no BMRB 1704 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.08e-80 . . . . 6251 1 7 no BMRB 17718 . Staphylococcal_nuclease . . . . . 100.00 149 99.17 99.17 1.72e-80 . . . . 6251 1 8 no BMRB 18013 . SNase_PHS . . . . . 100.00 149 98.35 98.35 4.35e-79 . . . . 6251 1 9 no BMRB 1874 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.08e-80 . . . . 6251 1 10 no BMRB 1875 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.08e-80 . . . . 6251 1 11 no BMRB 1876 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.08e-80 . . . . 6251 1 12 no BMRB 1877 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.08e-80 . . . . 6251 1 13 no BMRB 1878 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.08e-80 . . . . 6251 1 14 no BMRB 18788 . staph_nuc_E43S . . . . . 100.00 149 98.35 98.35 8.11e-80 . . . . 6251 1 15 no BMRB 188 . "micrococcal nuclease" . . . . . 100.00 156 98.35 99.17 1.67e-79 . . . . 6251 1 16 no BMRB 189 . "micrococcal nuclease" . . . . . 100.00 156 98.35 99.17 1.67e-79 . . . . 6251 1 17 no BMRB 2784 . "micrococcal nuclease" . . . . . 100.00 156 98.35 99.17 1.67e-79 . . . . 6251 1 18 no BMRB 2785 . "micrococcal nuclease" . . . . . 100.00 156 98.35 99.17 1.67e-79 . . . . 6251 1 19 no BMRB 4010 . SNOB . . . . . 85.12 103 98.06 98.06 7.25e-65 . . . . 6251 1 20 no BMRB 4052 . staph-nucl-H124L . . . . . 100.00 149 99.17 99.17 1.72e-80 . . . . 6251 1 21 no BMRB 4053 . staph-nucl-H124L . . . . . 100.00 149 99.17 99.17 1.72e-80 . . . . 6251 1 22 no BMRB 4905 . Snase . . . . . 90.91 110 98.18 98.18 1.62e-69 . . . . 6251 1 23 no BMRB 494 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.08e-80 . . . . 6251 1 24 no BMRB 495 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.08e-80 . . . . 6251 1 25 no BMRB 496 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.08e-80 . . . . 6251 1 26 no BMRB 497 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.08e-80 . . . . 6251 1 27 no BMRB 530 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.08e-80 . . . . 6251 1 28 no BMRB 5536 . G88W110_Snase . . . . . 90.91 110 98.18 98.18 1.62e-69 . . . . 6251 1 29 no BMRB 6250 . G88W121 . . . . . 100.00 121 98.35 98.35 8.55e-79 . . . . 6251 1 30 no BMRB 644 . "micrococcal nuclease" . . . . . 100.00 156 98.35 99.17 1.67e-79 . . . . 6251 1 31 no BMRB 6907 . V66W110_fragment_of_staphylococcal_nuclease . . . . . 90.91 110 100.00 100.00 7.50e-73 . . . . 6251 1 32 no BMRB 6908 . SNase110_fragment_of_Staphylococcal_Nuclease . . . . . 90.91 110 99.09 99.09 3.73e-71 . . . . 6251 1 33 no PDB 1A2T . "Staphylococcal Nuclease, B-Mercaptoethanol Disulfide To V23c Variant" . . . . . 100.00 149 98.35 98.35 1.49e-79 . . . . 6251 1 34 no PDB 1A2U . "Staphylococcal Nuclease, V23c Variant, Complex With 1-N- Butane Thiol And 3',5'-Thymidine Diphosphate" . . . . . 100.00 149 98.35 98.35 1.49e-79 . . . . 6251 1 35 no PDB 1A3T . "Staphylococcal Nuclease, V23c Variant, Complex With 2- Fluoroethane Thiol And 3',5'-Thymidine Diphosphate" . . . . . 100.00 149 98.35 98.35 1.49e-79 . . . . 6251 1 36 no PDB 1A3U . "Staphylococcal Nuclease, Cyclohexane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.35 98.35 1.49e-79 . . . . 6251 1 37 no PDB 1A3V . "Staphylococcal Nuclease, Cyclopentane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.35 98.35 1.49e-79 . . . . 6251 1 38 no PDB 1AEX . "Staphylococcal Nuclease, Methane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.35 98.35 1.49e-79 . . . . 6251 1 39 no PDB 1ENA . "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" . . . . . 95.04 135 98.26 99.13 1.19e-75 . . . . 6251 1 40 no PDB 1ENC . "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" . . . . . 100.00 149 98.35 99.17 1.10e-79 . . . . 6251 1 41 no PDB 1EY0 . "Structure Of Wild-Type S. Nuclease At 1.6 A Resolution" . . . . . 100.00 149 99.17 99.17 2.39e-80 . . . . 6251 1 42 no PDB 1EY4 . "Structure Of S. Nuclease Stabilizing Mutant S59a" . . . . . 100.00 149 98.35 99.17 8.29e-80 . . . . 6251 1 43 no PDB 1EY5 . "Structure Of S. Nuclease Stabilizing Mutant T33v" . . . . . 100.00 149 98.35 98.35 1.23e-79 . . . . 6251 1 44 no PDB 1EY6 . "Structure Of S. Nuclease Stabilizing Mutant T41i" . . . . . 100.00 149 98.35 98.35 1.43e-79 . . . . 6251 1 45 no PDB 1EY7 . "Structure Of S. Nuclease Stabilizing Mutant S128a" . . . . . 100.00 149 99.17 99.17 2.64e-80 . . . . 6251 1 46 no PDB 1EY8 . "Structure Of S. Nuclease Stabilizing Triple Mutant P117gH124LS128A" . . . . . 100.00 149 98.35 98.35 4.35e-79 . . . . 6251 1 47 no PDB 1EY9 . "Structure Of S. Nuclease Stabilizing Quadruple Mutant T41iP117GH124LS128A" . . . . . 100.00 149 97.52 97.52 2.97e-78 . . . . 6251 1 48 no PDB 1EYD . "Structure Of Wild-Type S. Nuclease At 1.7 A Resolution" . . . . . 100.00 149 99.17 99.17 2.39e-80 . . . . 6251 1 49 no PDB 1EZ8 . "Structure Of S. Nuclease Stabilizing Mutant T33v" . . . . . 100.00 149 98.35 98.35 1.23e-79 . . . . 6251 1 50 no PDB 1F2M . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 97.52 97.52 4.80e-79 . . . . 6251 1 51 no PDB 1F2Y . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 97.52 97.52 1.28e-78 . . . . 6251 1 52 no PDB 1F2Z . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 97.52 97.52 1.28e-78 . . . . 6251 1 53 no PDB 1JOK . "Averaged Structure For Staphylococcal Nuclease-H124l In Ternary Complex With Ca2+ And Thymidine-3',5'-Bisphosphate" . . . . . 100.00 149 99.17 99.17 1.72e-80 . . . . 6251 1 54 no PDB 1JOO . "Averaged Structure For Unligated Staphylococcal Nuclease- H124l" . . . . . 100.00 149 99.17 99.17 1.72e-80 . . . . 6251 1 55 no PDB 1JOQ . "Ensemble Structures For Staphylococcal Nuclease-H124l In Ternary Complex With Ca2+ And Thymidine-3',5'-Bisphosphate" . . . . . 100.00 149 99.17 99.17 1.72e-80 . . . . 6251 1 56 no PDB 1JOR . "Ensemble Structures For Unligated Staphylococcal Nuclease- H124l" . . . . . 100.00 149 99.17 99.17 1.72e-80 . . . . 6251 1 57 no PDB 1KAA . "Stress And Strain In Staphylococcal Nuclease" . . . . . 95.87 136 98.28 98.28 3.62e-76 . . . . 6251 1 58 no PDB 1KAB . "Stress And Strain In Staphylococcal Nuclease" . . . . . 95.87 136 98.28 98.28 7.28e-76 . . . . 6251 1 59 no PDB 1KDA . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 98.35 98.35 1.56e-79 . . . . 6251 1 60 no PDB 1KDB . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 98.35 99.17 8.11e-80 . . . . 6251 1 61 no PDB 1KDC . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 98.35 98.35 1.18e-79 . . . . 6251 1 62 no PDB 1NSN . "The Crystal Structure Of Antibody N10-Staphylococcal Nuclease Complex At 2.9 Angstroms Resolution" . . . . . 100.00 149 99.17 99.17 2.39e-80 . . . . 6251 1 63 no PDB 1NUC . "Staphylococcal Nuclease, V23c Variant" . . . . . 100.00 149 98.35 98.35 8.02e-80 . . . . 6251 1 64 no PDB 1RKN . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With G88w Mutation" . . . . . 90.91 110 98.18 98.18 1.62e-69 . . . . 6251 1 65 no PDB 1SNC . "The Crystal Structure Of The Ternary Complex Of Staphylococcal Nuclease, Ca2+, And The Inhibitor PdTp, Refined At 1.65 Angstrom" . . . . . 100.00 149 99.17 99.17 2.39e-80 . . . . 6251 1 66 no PDB 1SNM . "Active Site Mutant Glu-43 (Right Arrow) Asp In Staphylococcal Nuclease Displays Nonlocal Structural Changes" . . . . . 100.00 149 98.35 99.17 9.25e-80 . . . . 6251 1 67 no PDB 1SNO . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 99.17 99.17 1.72e-80 . . . . 6251 1 68 no PDB 1SNP . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 98.35 98.35 3.74e-79 . . . . 6251 1 69 no PDB 1SNQ . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 97.52 97.52 6.87e-78 . . . . 6251 1 70 no PDB 1STA . "Accommodation Of Insertion Mutations On The Surface And In The Interior Of Staphylococcal Nuclease" . . . . . 101.65 151 97.56 97.56 2.23e-78 . . . . 6251 1 71 no PDB 1STB . "Accommodation Of Insertion Mutations On The Surface And In The Interior Of Staphylococcal Nuclease" . . . . . 100.83 150 98.36 98.36 1.17e-78 . . . . 6251 1 72 no PDB 1STG . "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" . . . . . 100.00 149 99.17 99.17 2.39e-80 . . . . 6251 1 73 no PDB 1STH . "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" . . . . . 100.00 149 99.17 99.17 2.39e-80 . . . . 6251 1 74 no PDB 1STN . "The Crystal Structure Of Staphylococcal Nuclease Refined At 1.7 Angstroms Resolution" . . . . . 100.00 149 99.17 99.17 2.39e-80 . . . . 6251 1 75 no PDB 1STY . "The Alpha Aneurism: A Structural Motif Revealed In An Insertion Mutant Of Staphylococcal Nuclease" . . . . . 100.00 150 99.17 99.17 2.78e-80 . . . . 6251 1 76 no PDB 1SYC . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.35 98.35 4.96e-79 . . . . 6251 1 77 no PDB 1SYD . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.35 98.35 4.96e-79 . . . . 6251 1 78 no PDB 1SYE . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.35 98.35 2.10e-79 . . . . 6251 1 79 no PDB 1SYF . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.35 98.35 2.10e-79 . . . . 6251 1 80 no PDB 1SYG . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.35 98.35 1.78e-79 . . . . 6251 1 81 no PDB 1U9R . "Crystal Structure Of Staphylococcal Nuclease Mutant V66eP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 98.35 98.35 5.24e-79 . . . . 6251 1 82 no PDB 2ENB . "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" . . . . . 95.04 135 98.26 99.13 1.19e-75 . . . . 6251 1 83 no PDB 2EXZ . "Crystal Structure Of Staphylococcal Nuclease Mutant T22c" . . . . . 100.00 149 98.35 98.35 9.45e-80 . . . . 6251 1 84 no PDB 2EY1 . "Crystal Structure Of Staphylococcal Nuclease Mutant T22v" . . . . . 100.00 149 98.35 98.35 1.23e-79 . . . . 6251 1 85 no PDB 2EY2 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41c" . . . . . 100.00 149 98.35 98.35 9.45e-80 . . . . 6251 1 86 no PDB 2EY5 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41s" . . . . . 100.00 149 98.35 99.17 5.30e-80 . . . . 6251 1 87 no PDB 2EY6 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41v" . . . . . 100.00 149 98.35 98.35 1.23e-79 . . . . 6251 1 88 no PDB 2EYF . "Crystal Structure Of Staphylococcal Nuclease Mutant T44v" . . . . . 100.00 149 98.35 98.35 1.23e-79 . . . . 6251 1 89 no PDB 2EYH . "Crystal Structure Of Staphylococcal Nuclease Mutant T62s" . . . . . 100.00 149 98.35 99.17 5.30e-80 . . . . 6251 1 90 no PDB 2EYJ . "Crystal Structure Of Staphylococcal Nuclease Mutant T62v" . . . . . 100.00 149 98.35 98.35 1.23e-79 . . . . 6251 1 91 no PDB 2EYL . "Crystal Structure Of Staphylococcal Nuclease Mutant T82s" . . . . . 100.00 149 98.35 99.17 5.30e-80 . . . . 6251 1 92 no PDB 2EYM . "Crystal Structure Of Staphylococcal Nuclease Mutant T120c" . . . . . 100.00 149 98.35 98.35 9.45e-80 . . . . 6251 1 93 no PDB 2EYO . "Crystal Structure Of Staphylococcal Nuclease Mutant T120s" . . . . . 100.00 149 98.35 99.17 5.30e-80 . . . . 6251 1 94 no PDB 2EYP . "Crystal Structure Of Staphylococcal Nuclease Mutant T120v" . . . . . 100.00 149 98.35 98.35 1.23e-79 . . . . 6251 1 95 no PDB 2F0D . "Crystal Structure Of Staphylococcal Nuclease Mutant I92v" . . . . . 100.00 149 98.35 99.17 3.78e-80 . . . . 6251 1 96 no PDB 2F0E . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l" . . . . . 100.00 149 98.35 99.17 6.45e-80 . . . . 6251 1 97 no PDB 2F0F . "Crystal Structure Of Staphylococcal Nuclease Mutant L25i" . . . . . 100.00 149 98.35 99.17 4.80e-80 . . . . 6251 1 98 no PDB 2F0G . "Crystal Structure Of Staphylococcal Nuclease Mutant V66i" . . . . . 100.00 149 99.17 99.17 1.96e-80 . . . . 6251 1 99 no PDB 2F0H . "Crystal Structure Of Staphylococcal Nuclease Mutant V66l" . . . . . 100.00 149 99.17 99.17 1.31e-80 . . . . 6251 1 100 no PDB 2F0I . "Crystal Structure Of Staphylococcal Nuclease Mutant I72l" . . . . . 100.00 149 98.35 99.17 5.91e-80 . . . . 6251 1 101 no PDB 2F0J . "Crystal Structure Of Staphylococcal Nuclease Mutant I72v" . . . . . 100.00 149 98.35 99.17 3.78e-80 . . . . 6251 1 102 no PDB 2F0K . "Crystal Structure Of Staphylococcal Nuclease Mutant V23iL25I" . . . . . 100.00 149 97.52 99.17 8.57e-80 . . . . 6251 1 103 no PDB 2F0L . "Crystal Structure Of Staphylococcal Nuclease Mutant V23lI72L" . . . . . 100.00 149 97.52 99.17 1.84e-79 . . . . 6251 1 104 no PDB 2F0M . "Crystal Structure Of Staphylococcal Nuclease Mutant V23lI72V" . . . . . 100.00 149 97.52 99.17 1.24e-79 . . . . 6251 1 105 no PDB 2F0N . "Crystal Structure Of Staphylococcal Nuclease Mutant L25iI72L" . . . . . 100.00 149 97.52 99.17 1.46e-79 . . . . 6251 1 106 no PDB 2F0O . "Crystal Structure Of Staphylococcal Nuclease Mutant V66iI72V" . . . . . 100.00 149 98.35 99.17 3.74e-80 . . . . 6251 1 107 no PDB 2F0P . "Crystal Structure Of Staphylococcal Nuclease Mutant V66iV99I" . . . . . 100.00 149 98.35 99.17 3.01e-80 . . . . 6251 1 108 no PDB 2F0Q . "Crystal Structure Of Staphylococcal Nuclease Mutant V66lI92L" . . . . . 100.00 149 98.35 99.17 3.78e-80 . . . . 6251 1 109 no PDB 2F0S . "Crystal Structure Of Staphylococcal Nuclease Mutant V66lI92V" . . . . . 100.00 149 98.35 99.17 2.52e-80 . . . . 6251 1 110 no PDB 2F0T . "Crystal Structure Of Staphylococcal Nuclease Mutant V66lV99I" . . . . . 100.00 149 98.35 99.17 2.36e-80 . . . . 6251 1 111 no PDB 2F0V . "Crystal Structure Of Staphylococcal Nuclease Mutant V23lV66LI72L" . . . . . 100.00 149 97.52 99.17 1.18e-79 . . . . 6251 1 112 no PDB 2F3V . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With V66w Mutation" . . . . . 90.91 110 100.00 100.00 7.50e-73 . . . . 6251 1 113 no PDB 2F3W . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease In 2m Tmao" . . . . . 90.91 110 99.09 99.09 3.73e-71 . . . . 6251 1 114 no PDB 2KHS . "Solution Structure Of Snase121:snase(111-143) Complex" . . . . . 100.00 121 99.17 99.17 1.98e-80 . . . . 6251 1 115 no PDB 2KQ3 . "Solution Structure Of Snase140" . . . . . 100.00 140 99.17 99.17 2.27e-80 . . . . 6251 1 116 no PDB 2LKV . "Staphylococcal Nuclease Phs Variant" . . . . . 100.00 149 98.35 98.35 4.35e-79 . . . . 6251 1 117 no PDB 2M00 . "Solution Structure Of Staphylococcal Nuclease E43s Mutant In The Presence Of Ssdna And Cd2+" . . . . . 100.00 149 98.35 98.35 8.11e-80 . . . . 6251 1 118 no PDB 2NUC . "Staphlococcal Nuclease, Ethane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.35 98.35 1.49e-79 . . . . 6251 1 119 no PDB 2OXP . "Crystal Structure Of Staphylococcal Nuclease Mutant V66dP117GH124LS128A" . . . . . 100.00 149 98.35 98.35 9.44e-79 . . . . 6251 1 120 no PDB 2PW5 . "Crystal Structure Of Staphylococcal Nuclease Variant V66yP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 98.35 99.17 1.14e-79 . . . . 6251 1 121 no PDB 2PW7 . "Crystal Structure Of Staphylococcal Nuclease Variant V66yP117GH124LS128A AT 100K" . . . . . 100.00 149 98.35 99.17 1.14e-79 . . . . 6251 1 122 no PDB 2PYK . "Crystal Structure Of Staphylococcal Nuclease Variant V66qP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 98.35 98.35 3.54e-79 . . . . 6251 1 123 no PDB 2PZT . "Crystal Structure Of Staphylococcal Nuclease Variant V66qP117GH124LS128A AT 100 K" . . . . . 100.00 149 98.35 98.35 3.54e-79 . . . . 6251 1 124 no PDB 2PZU . "Crystal Structure Of Staphylococcal Nuclease Variant V66nP117GH124LS128A AT CRYOGENIC TEMPERATURE" . . . . . 100.00 149 98.35 98.35 6.17e-79 . . . . 6251 1 125 no PDB 2PZW . "Crystal Structure Of Staphylococcal Nuclease Variant V66nP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 98.35 98.35 6.17e-79 . . . . 6251 1 126 no PDB 2RKS . "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38k At Cryogenic Temperature" . . . . . 100.00 149 97.52 97.52 5.59e-78 . . . . 6251 1 127 no PDB 2SNM . "In A Staphylococcal Nuclease Mutant The Side-chain Of A Lysine Replacing Valine 66 Is Fully Buried In The Hydrophobic Core" . . . . . 100.00 149 99.17 99.17 2.91e-80 . . . . 6251 1 128 no PDB 2SNS . "Staphylococcal Nuclease. Proposed Mechanism Of Action Based On Structure Of Enzyme-Thymidine 3(Prime),5(Prime)-Biphosphate-Calc" . . . . . 100.00 149 98.35 99.17 1.19e-79 . . . . 6251 1 129 no PDB 2SOB . "Sn-Ob, Ob-Fold Sub-Domain Of Staphylococcal Nuclease, Nmr, 10 Structures" . . . . . 85.12 103 98.06 98.06 7.25e-65 . . . . 6251 1 130 no PDB 3D6C . "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38e At Cryogenic Temperature" . . . . . 100.00 149 97.52 97.52 6.44e-78 . . . . 6251 1 131 no PDB 3DMU . "Crystal Structure Of Staphylococcal Nuclease Variant Phs T62k At Cryogenic Temperature" . . . . . 100.00 149 97.52 97.52 3.17e-78 . . . . 6251 1 132 no PDB 3NUC . "Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.35 98.35 1.49e-79 . . . . 6251 1 133 no PDB 4G57 . "Staphylococcal Nuclease Double Mutant I72l, I92l" . . . . . 95.04 135 97.39 99.13 1.88e-75 . . . . 6251 1 134 no PDB 4H7B . "Crystal Structure Of Staphylococcal Nuclease Mutant I72vV99L" . . . . . 100.00 149 97.52 99.17 1.24e-79 . . . . 6251 1 135 no PDB 4ID6 . "Crystal Structure Of Staphylococcal Nuclease Mutant V23i/i72l" . . . . . 100.00 149 97.52 99.17 8.47e-80 . . . . 6251 1 136 no PDB 4K14 . "Crystal Structure Of Staphylococcal Nuclease Mutant V66i/v99l" . . . . . 95.87 136 98.28 99.14 1.90e-76 . . . . 6251 1 137 no PDB 4K5X . "Crystal Structure Of Staphylococcal Nuclease Variant V23m/l36f At Cryogenic Temperature" . . . . . 100.00 149 97.52 98.35 3.28e-79 . . . . 6251 1 138 no PDB 4K6D . "Crystal Structure Of Staphylococcal Nuclease Variant V23m/t62f At Cryogenic Temperature" . . . . . 100.00 149 97.52 98.35 1.02e-78 . . . . 6251 1 139 no PDB 4K8I . "Crystal Structure Of Staphylococcal Nuclease Mutant I92v/v99l" . . . . . 95.04 135 97.39 99.13 1.56e-75 . . . . 6251 1 140 no PDB 4K8J . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l/v66i" . . . . . 95.04 135 98.26 99.13 8.57e-76 . . . . 6251 1 141 no PDB 4QB4 . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l/l25v/v66l" . . . . . 95.87 136 97.41 99.14 4.22e-76 . . . . 6251 1 142 no PDB 4WOR . "Staphylococcal Nuclease In Complex With Ca2+ And Thymidine-3'-5'- Diphosphate (pdtp) At Room Temperature" . . . . . 100.00 149 99.17 99.17 2.39e-80 . . . . 6251 1 143 no PDB 5NUC . "Staphylococcal Nuclease, 1-N-Pentane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.35 98.35 1.49e-79 . . . . 6251 1 144 no DBJ BAB41979 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus N315]" . . . . . 100.00 228 98.35 98.35 3.08e-80 . . . . 6251 1 145 no DBJ BAB56977 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 228 98.35 98.35 3.08e-80 . . . . 6251 1 146 no DBJ BAB94634 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 228 99.17 99.17 7.17e-81 . . . . 6251 1 147 no DBJ BAF67032 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 100.00 228 99.17 99.17 7.91e-81 . . . . 6251 1 148 no DBJ BAF77694 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 100.00 228 98.35 98.35 3.08e-80 . . . . 6251 1 149 no EMBL CAA24594 . "nuclease [Staphylococcus aureus]" . . . . . 100.00 231 99.17 99.17 7.00e-81 . . . . 6251 1 150 no EMBL CAG39855 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 100.00 228 99.17 99.17 6.36e-81 . . . . 6251 1 151 no EMBL CAG42530 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 100.00 228 99.17 99.17 7.17e-81 . . . . 6251 1 152 no EMBL CAI80436 . "staphylococcal thermonuclease precursor [Staphylococcus aureus RF122]" . . . . . 100.00 228 98.35 99.17 4.46e-80 . . . . 6251 1 153 no EMBL CAQ49298 . "thermonuclease (TNase) (Micrococcal nuclease)(Staphylococcal nuclease) [Staphylococcus aureus subsp. aureus ST398]" . . . . . 100.00 228 99.17 99.17 5.52e-81 . . . . 6251 1 154 no GB AAC14660 . "deltaSP-Nuc [Cloning vector pFUN]" . . . . . 100.00 155 99.17 99.17 3.58e-80 . . . . 6251 1 155 no GB AAW36415 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus COL]" . . . . . 100.00 228 99.17 99.17 7.91e-81 . . . . 6251 1 156 no GB ABD22328 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 100.00 228 99.17 99.17 7.91e-81 . . . . 6251 1 157 no GB ABD29945 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 100.00 228 99.17 99.17 7.91e-81 . . . . 6251 1 158 no GB ABE02272 . "nuclease [Staphylococcus aureus]" . . . . . 100.00 227 98.35 98.35 4.66e-80 . . . . 6251 1 159 no PRF 1109959A . nuclease,staphylococcal . . . . . 100.00 242 99.17 99.17 8.92e-81 . . . . 6251 1 160 no PRF 710414A . nuclease . . . . . 100.00 149 99.17 99.17 2.39e-80 . . . . 6251 1 161 no REF NP_371339 . "nuclease [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 228 98.35 98.35 3.08e-80 . . . . 6251 1 162 no REF NP_374001 . "nuclease [Staphylococcus aureus subsp. aureus N315]" . . . . . 100.00 228 98.35 98.35 3.08e-80 . . . . 6251 1 163 no REF NP_645586 . "nuclease [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 228 99.17 99.17 7.17e-81 . . . . 6251 1 164 no REF WP_000141556 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 99.17 99.17 7.57e-81 . . . . 6251 1 165 no REF WP_000141557 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 98.35 98.35 3.08e-80 . . . . 6251 1 166 no SP P00644 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Contains:" . . . . . 100.00 231 99.17 99.17 7.00e-81 . . . . 6251 1 167 no SP Q5HHM4 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 99.17 99.17 7.91e-81 . . . . 6251 1 168 no SP Q6GB41 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 99.17 99.17 7.17e-81 . . . . 6251 1 169 no SP Q6GIK1 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 99.17 99.17 6.36e-81 . . . . 6251 1 170 no SP Q7A6P2 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 98.35 98.35 3.08e-80 . . . . 6251 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID V66W121 common 6251 1 V66W121 abbreviation 6251 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 . ALA . 6251 1 2 . THR . 6251 1 3 . SER . 6251 1 4 . THR . 6251 1 5 . LYS . 6251 1 6 . LYS . 6251 1 7 . LEU . 6251 1 8 . HIS . 6251 1 9 . LYS . 6251 1 10 . GLU . 6251 1 11 . PRO . 6251 1 12 . ALA . 6251 1 13 . THR . 6251 1 14 . LEU . 6251 1 15 . ILE . 6251 1 16 . LYS . 6251 1 17 . ALA . 6251 1 18 . ILE . 6251 1 19 . ASP . 6251 1 20 . GLY . 6251 1 21 . ASP . 6251 1 22 . THR . 6251 1 23 . VAL . 6251 1 24 . LYS . 6251 1 25 . LEU . 6251 1 26 . MET . 6251 1 27 . TYR . 6251 1 28 . LYS . 6251 1 29 . GLY . 6251 1 30 . GLN . 6251 1 31 . PRO . 6251 1 32 . MET . 6251 1 33 . THR . 6251 1 34 . PHE . 6251 1 35 . ARG . 6251 1 36 . LEU . 6251 1 37 . LEU . 6251 1 38 . LEU . 6251 1 39 . VAL . 6251 1 40 . ASP . 6251 1 41 . THR . 6251 1 42 . PRO . 6251 1 43 . GLU . 6251 1 44 . THR . 6251 1 45 . LYS . 6251 1 46 . HIS . 6251 1 47 . PRO . 6251 1 48 . LYS . 6251 1 49 . LYS . 6251 1 50 . GLY . 6251 1 51 . VAL . 6251 1 52 . GLU . 6251 1 53 . LYS . 6251 1 54 . TYR . 6251 1 55 . GLY . 6251 1 56 . PRO . 6251 1 57 . GLU . 6251 1 58 . ALA . 6251 1 59 . SER . 6251 1 60 . ALA . 6251 1 61 . PHE . 6251 1 62 . THR . 6251 1 63 . LYS . 6251 1 64 . LYS . 6251 1 65 . MET . 6251 1 66 . TRP . 6251 1 67 . GLU . 6251 1 68 . ASN . 6251 1 69 . ALA . 6251 1 70 . LYS . 6251 1 71 . LYS . 6251 1 72 . ILE . 6251 1 73 . GLU . 6251 1 74 . VAL . 6251 1 75 . GLU . 6251 1 76 . PHE . 6251 1 77 . ASP . 6251 1 78 . LYS . 6251 1 79 . GLY . 6251 1 80 . GLN . 6251 1 81 . ARG . 6251 1 82 . THR . 6251 1 83 . ASP . 6251 1 84 . LYS . 6251 1 85 . TYR . 6251 1 86 . GLY . 6251 1 87 . ARG . 6251 1 88 . GLY . 6251 1 89 . LEU . 6251 1 90 . ALA . 6251 1 91 . TYR . 6251 1 92 . ILE . 6251 1 93 . TYR . 6251 1 94 . ALA . 6251 1 95 . ASP . 6251 1 96 . GLY . 6251 1 97 . LYS . 6251 1 98 . MET . 6251 1 99 . VAL . 6251 1 100 . ASN . 6251 1 101 . GLU . 6251 1 102 . ALA . 6251 1 103 . LEU . 6251 1 104 . VAL . 6251 1 105 . ARG . 6251 1 106 . GLN . 6251 1 107 . GLY . 6251 1 108 . LEU . 6251 1 109 . ALA . 6251 1 110 . LYS . 6251 1 111 . VAL . 6251 1 112 . ALA . 6251 1 113 . TYR . 6251 1 114 . VAL . 6251 1 115 . TYR . 6251 1 116 . LYS . 6251 1 117 . PRO . 6251 1 118 . ASN . 6251 1 119 . ASN . 6251 1 120 . THR . 6251 1 121 . HIS . 6251 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 . ALA 1 1 6251 1 . THR 2 2 6251 1 . SER 3 3 6251 1 . THR 4 4 6251 1 . LYS 5 5 6251 1 . LYS 6 6 6251 1 . LEU 7 7 6251 1 . HIS 8 8 6251 1 . LYS 9 9 6251 1 . GLU 10 10 6251 1 . PRO 11 11 6251 1 . ALA 12 12 6251 1 . THR 13 13 6251 1 . LEU 14 14 6251 1 . ILE 15 15 6251 1 . LYS 16 16 6251 1 . ALA 17 17 6251 1 . ILE 18 18 6251 1 . ASP 19 19 6251 1 . GLY 20 20 6251 1 . ASP 21 21 6251 1 . THR 22 22 6251 1 . VAL 23 23 6251 1 . LYS 24 24 6251 1 . LEU 25 25 6251 1 . MET 26 26 6251 1 . TYR 27 27 6251 1 . LYS 28 28 6251 1 . GLY 29 29 6251 1 . GLN 30 30 6251 1 . PRO 31 31 6251 1 . MET 32 32 6251 1 . THR 33 33 6251 1 . PHE 34 34 6251 1 . ARG 35 35 6251 1 . LEU 36 36 6251 1 . LEU 37 37 6251 1 . LEU 38 38 6251 1 . VAL 39 39 6251 1 . ASP 40 40 6251 1 . THR 41 41 6251 1 . PRO 42 42 6251 1 . GLU 43 43 6251 1 . THR 44 44 6251 1 . LYS 45 45 6251 1 . HIS 46 46 6251 1 . PRO 47 47 6251 1 . LYS 48 48 6251 1 . LYS 49 49 6251 1 . GLY 50 50 6251 1 . VAL 51 51 6251 1 . GLU 52 52 6251 1 . LYS 53 53 6251 1 . TYR 54 54 6251 1 . GLY 55 55 6251 1 . PRO 56 56 6251 1 . GLU 57 57 6251 1 . ALA 58 58 6251 1 . SER 59 59 6251 1 . ALA 60 60 6251 1 . PHE 61 61 6251 1 . THR 62 62 6251 1 . LYS 63 63 6251 1 . LYS 64 64 6251 1 . MET 65 65 6251 1 . TRP 66 66 6251 1 . GLU 67 67 6251 1 . ASN 68 68 6251 1 . ALA 69 69 6251 1 . LYS 70 70 6251 1 . LYS 71 71 6251 1 . ILE 72 72 6251 1 . GLU 73 73 6251 1 . VAL 74 74 6251 1 . GLU 75 75 6251 1 . PHE 76 76 6251 1 . ASP 77 77 6251 1 . LYS 78 78 6251 1 . GLY 79 79 6251 1 . GLN 80 80 6251 1 . ARG 81 81 6251 1 . THR 82 82 6251 1 . ASP 83 83 6251 1 . LYS 84 84 6251 1 . TYR 85 85 6251 1 . GLY 86 86 6251 1 . ARG 87 87 6251 1 . GLY 88 88 6251 1 . LEU 89 89 6251 1 . ALA 90 90 6251 1 . TYR 91 91 6251 1 . ILE 92 92 6251 1 . TYR 93 93 6251 1 . ALA 94 94 6251 1 . ASP 95 95 6251 1 . GLY 96 96 6251 1 . LYS 97 97 6251 1 . MET 98 98 6251 1 . VAL 99 99 6251 1 . ASN 100 100 6251 1 . GLU 101 101 6251 1 . ALA 102 102 6251 1 . LEU 103 103 6251 1 . VAL 104 104 6251 1 . ARG 105 105 6251 1 . GLN 106 106 6251 1 . GLY 107 107 6251 1 . LEU 108 108 6251 1 . ALA 109 109 6251 1 . LYS 110 110 6251 1 . VAL 111 111 6251 1 . ALA 112 112 6251 1 . TYR 113 113 6251 1 . VAL 114 114 6251 1 . TYR 115 115 6251 1 . LYS 116 116 6251 1 . PRO 117 117 6251 1 . ASN 118 118 6251 1 . ASN 119 119 6251 1 . THR 120 120 6251 1 . HIS 121 121 6251 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 6251 _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 $V66W121 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 6251 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 6251 _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 $V66W121 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6251 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6251 _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 V66W121 '[U-95% 13C; U-95% 15N]' . . 1 $V66W121 . . 1 . . mM . . . . 6251 1 2 'deuterated acetate' '[U-99% 2H]' . . . . . . 50 . . mM . . . . 6251 1 3 DSS . . . . . . . 50 . . uM . . . . 6251 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 6251 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 6251 _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 5.0 0.1 na 6251 1 temperature 298 0.2 K 6251 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 6251 _Software.ID 1 _Software.Name Felix _Software.Version 980 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer _NMR_spectrometer.Entry_ID 6251 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 6251 _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 spectrometer Bruker DMX . 600 . . . 6251 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 6251 _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' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6251 1 2 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6251 1 3 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6251 1 4 HBHA(CBCA)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6251 1 5 HBHA(CBCA)(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6251 1 6 '1H-15N slow exchange spectra' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6251 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 6251 _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _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 1 _NMR_spec_expt.Software_label $Felix _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 6251 _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _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 1 _NMR_spec_expt.Software_label $Felix _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 6251 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _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 1 _NMR_spec_expt.Software_label $Felix _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 6251 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HBHA(CBCA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _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 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6251 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HBHA(CBCA)(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _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 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6251 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-15N slow exchange spectra' _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _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 1 _NMR_spec_expt.Software_label $Felix _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 6251 _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 internal direct . . . . 1 $entry_citation . . 1 $entry_citation 6251 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6251 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6251 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_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6251 _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 '1H-15N HSQC' 1 $sample_1 . 6251 1 2 HNCACB 1 $sample_1 . 6251 1 3 CBCA(CO)NH 1 $sample_1 . 6251 1 4 HBHA(CBCA)NH 1 $sample_1 . 6251 1 5 HBHA(CBCA)(CO)NH 1 $sample_1 . 6251 1 6 '1H-15N slow exchange spectra' 1 $sample_1 . 6251 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 THR H H 1 8.65 0.01 . 1 . . . . . . . . 6251 1 2 . 1 1 2 2 THR N N 15 115.7 0.2 . 1 . . . . . . . . 6251 1 3 . 1 1 2 2 THR CA C 13 61.9 0.5 . 1 . . . . . . . . 6251 1 4 . 1 1 2 2 THR CB C 13 69.9 0.5 . 1 . . . . . . . . 6251 1 5 . 1 1 3 3 SER H H 1 8.55 0.01 . 1 . . . . . . . . 6251 1 6 . 1 1 3 3 SER N N 15 119.5 0.2 . 1 . . . . . . . . 6251 1 7 . 1 1 3 3 SER CA C 13 58 0.5 . 1 . . . . . . . . 6251 1 8 . 1 1 3 3 SER CB C 13 63.9 0.5 . 1 . . . . . . . . 6251 1 9 . 1 1 4 4 THR H H 1 8.35 0.01 . 1 . . . . . . . . 6251 1 10 . 1 1 4 4 THR N N 15 117.6 0.2 . 1 . . . . . . . . 6251 1 11 . 1 1 4 4 THR CA C 13 61.9 0.5 . 1 . . . . . . . . 6251 1 12 . 1 1 4 4 THR CB C 13 69.5 0.5 . 1 . . . . . . . . 6251 1 13 . 1 1 13 13 THR H H 1 8.15 0.01 . 1 . . . . . . . . 6251 1 14 . 1 1 13 13 THR N N 15 110.1 0.2 . 1 . . . . . . . . 6251 1 15 . 1 1 13 13 THR CA C 13 60.2 0.5 . 1 . . . . . . . . 6251 1 16 . 1 1 13 13 THR CB C 13 71.5 0.5 . 1 . . . . . . . . 6251 1 17 . 1 1 13 13 THR HA H 1 4.7 0.05 . 1 . . . . . . . . 6251 1 18 . 1 1 13 13 THR HB H 1 4.09 0.05 . 1 . . . . . . . . 6251 1 19 . 1 1 14 14 LEU H H 1 9.21 0.01 . 1 . . . . . . . . 6251 1 20 . 1 1 14 14 LEU N N 15 126.1 0.2 . 1 . . . . . . . . 6251 1 21 . 1 1 14 14 LEU CA C 13 56.5 0.5 . 1 . . . . . . . . 6251 1 22 . 1 1 14 14 LEU CB C 13 43.1 0.5 . 1 . . . . . . . . 6251 1 23 . 1 1 16 16 LYS H H 1 7.74 0.01 . 1 . . . . . . . . 6251 1 24 . 1 1 16 16 LYS N N 15 115.9 0.2 . 1 . . . . . . . . 6251 1 25 . 1 1 16 16 LYS CA C 13 56.3 0.5 . 1 . . . . . . . . 6251 1 26 . 1 1 16 16 LYS CB C 13 36.1 0.5 . 1 . . . . . . . . 6251 1 27 . 1 1 16 16 LYS HA H 1 4.32 0.05 . 1 . . . . . . . . 6251 1 28 . 1 1 17 17 ALA H H 1 9.5 0.01 . 1 . . . . . . . . 6251 1 29 . 1 1 17 17 ALA N N 15 131.1 0.2 . 1 . . . . . . . . 6251 1 30 . 1 1 17 17 ALA CA C 13 51.3 0.5 . 1 . . . . . . . . 6251 1 31 . 1 1 17 17 ALA CB C 13 19 0.5 . 1 . . . . . . . . 6251 1 32 . 1 1 17 17 ALA HA H 1 4.58 0.05 . 1 . . . . . . . . 6251 1 33 . 1 1 18 18 ILE H H 1 7.88 0.01 . 1 . . . . . . . . 6251 1 34 . 1 1 18 18 ILE N N 15 126.3 0.2 . 1 . . . . . . . . 6251 1 35 . 1 1 18 18 ILE CA C 13 63.7 0.5 . 1 . . . . . . . . 6251 1 36 . 1 1 20 20 GLY H H 1 8.85 0.01 . 1 . . . . . . . . 6251 1 37 . 1 1 20 20 GLY N N 15 105.5 0.2 . 1 . . . . . . . . 6251 1 38 . 1 1 20 20 GLY CA C 13 47.6 0.5 . 1 . . . . . . . . 6251 1 39 . 1 1 20 20 GLY HA2 H 1 4.05 0.05 . 1 . . . . . . . . 6251 1 40 . 1 1 20 20 GLY HA3 H 1 4.05 0.05 . 1 . . . . . . . . 6251 1 41 . 1 1 21 21 ASP H H 1 8.4 0.01 . 1 . . . . . . . . 6251 1 42 . 1 1 21 21 ASP N N 15 118.1 0.2 . 1 . . . . . . . . 6251 1 43 . 1 1 21 21 ASP CA C 13 54.1 0.5 . 1 . . . . . . . . 6251 1 44 . 1 1 21 21 ASP CB C 13 43.2 0.5 . 1 . . . . . . . . 6251 1 45 . 1 1 22 22 THR H H 1 7.54 0.01 . 1 . . . . . . . . 6251 1 46 . 1 1 22 22 THR N N 15 116.8 0.2 . 1 . . . . . . . . 6251 1 47 . 1 1 22 22 THR CA C 13 62.3 0.5 . 1 . . . . . . . . 6251 1 48 . 1 1 22 22 THR CB C 13 70 0.5 . 1 . . . . . . . . 6251 1 49 . 1 1 22 22 THR HA H 1 5.4 0.05 . 1 . . . . . . . . 6251 1 50 . 1 1 22 22 THR HB H 1 3.84 0.05 . 1 . . . . . . . . 6251 1 51 . 1 1 23 23 VAL H H 1 9.18 0.01 . 1 . . . . . . . . 6251 1 52 . 1 1 23 23 VAL N N 15 124.4 0.2 . 1 . . . . . . . . 6251 1 53 . 1 1 23 23 VAL CA C 13 59.7 0.5 . 1 . . . . . . . . 6251 1 54 . 1 1 23 23 VAL CB C 13 35.6 0.5 . 1 . . . . . . . . 6251 1 55 . 1 1 24 24 LYS H H 1 8.79 0.01 . 1 . . . . . . . . 6251 1 56 . 1 1 24 24 LYS N N 15 127.4 0.2 . 1 . . . . . . . . 6251 1 57 . 1 1 24 24 LYS CA C 13 54.8 0.5 . 1 . . . . . . . . 6251 1 58 . 1 1 24 24 LYS CB C 13 35.1 0.5 . 1 . . . . . . . . 6251 1 59 . 1 1 24 24 LYS HA H 1 5.48 0.05 . 1 . . . . . . . . 6251 1 60 . 1 1 25 25 LEU H H 1 9.29 0.01 . 1 . . . . . . . . 6251 1 61 . 1 1 25 25 LEU N N 15 126.4 0.2 . 1 . . . . . . . . 6251 1 62 . 1 1 25 25 LEU CA C 13 52.6 0.5 . 1 . . . . . . . . 6251 1 63 . 1 1 25 25 LEU CB C 13 45.8 0.5 . 1 . . . . . . . . 6251 1 64 . 1 1 25 25 LEU HA H 1 5.18 0.05 . 1 . . . . . . . . 6251 1 65 . 1 1 26 26 MET H H 1 9.67 0.01 . 1 . . . . . . . . 6251 1 66 . 1 1 26 26 MET N N 15 122.7 0.2 . 1 . . . . . . . . 6251 1 67 . 1 1 26 26 MET CA C 13 54.3 0.5 . 1 . . . . . . . . 6251 1 68 . 1 1 26 26 MET CB C 13 32.3 0.5 . 1 . . . . . . . . 6251 1 69 . 1 1 27 27 TYR H H 1 8.91 0.01 . 1 . . . . . . . . 6251 1 70 . 1 1 27 27 TYR N N 15 130.3 0.2 . 1 . . . . . . . . 6251 1 71 . 1 1 27 27 TYR CA C 13 56.5 0.5 . 1 . . . . . . . . 6251 1 72 . 1 1 27 27 TYR CB C 13 41 0.5 . 1 . . . . . . . . 6251 1 73 . 1 1 28 28 LYS H H 1 9.31 0.01 . 1 . . . . . . . . 6251 1 74 . 1 1 28 28 LYS N N 15 128.7 0.2 . 1 . . . . . . . . 6251 1 75 . 1 1 28 28 LYS CA C 13 56.9 0.5 . 1 . . . . . . . . 6251 1 76 . 1 1 28 28 LYS CB C 13 30.2 0.5 . 1 . . . . . . . . 6251 1 77 . 1 1 28 28 LYS HA H 1 3.56 0.05 . 1 . . . . . . . . 6251 1 78 . 1 1 29 29 GLY H H 1 8.39 0.01 . 1 . . . . . . . . 6251 1 79 . 1 1 29 29 GLY N N 15 103.2 0.2 . 1 . . . . . . . . 6251 1 80 . 1 1 29 29 GLY CA C 13 45.8 0.5 . 1 . . . . . . . . 6251 1 81 . 1 1 29 29 GLY HA2 H 1 4.08 0.05 . 1 . . . . . . . . 6251 1 82 . 1 1 29 29 GLY HA3 H 1 4.08 0.05 . 1 . . . . . . . . 6251 1 83 . 1 1 30 30 GLN H H 1 8.01 0.01 . 1 . . . . . . . . 6251 1 84 . 1 1 30 30 GLN N N 15 121 0.2 . 1 . . . . . . . . 6251 1 85 . 1 1 30 30 GLN CA C 13 52 0.5 . 1 . . . . . . . . 6251 1 86 . 1 1 30 30 GLN CB C 13 31.4 0.5 . 1 . . . . . . . . 6251 1 87 . 1 1 30 30 GLN HA H 1 5 0.05 . 1 . . . . . . . . 6251 1 88 . 1 1 32 32 MET H H 1 9.59 0.01 . 1 . . . . . . . . 6251 1 89 . 1 1 32 32 MET N N 15 125.5 0.2 . 1 . . . . . . . . 6251 1 90 . 1 1 32 32 MET CA C 13 55.7 0.5 . 1 . . . . . . . . 6251 1 91 . 1 1 32 32 MET CB C 13 38.2 0.5 . 1 . . . . . . . . 6251 1 92 . 1 1 32 32 MET HA H 1 4.75 0.05 . 1 . . . . . . . . 6251 1 93 . 1 1 34 34 PHE H H 1 9.44 0.01 . 1 . . . . . . . . 6251 1 94 . 1 1 34 34 PHE N N 15 127.5 0.2 . 1 . . . . . . . . 6251 1 95 . 1 1 34 34 PHE CA C 13 56.4 0.5 . 1 . . . . . . . . 6251 1 96 . 1 1 34 34 PHE CB C 13 41.9 0.5 . 1 . . . . . . . . 6251 1 97 . 1 1 35 35 ARG H H 1 9.1 0.01 . 1 . . . . . . . . 6251 1 98 . 1 1 35 35 ARG N N 15 122.1 0.2 . 1 . . . . . . . . 6251 1 99 . 1 1 35 35 ARG CA C 13 54.1 0.5 . 1 . . . . . . . . 6251 1 100 . 1 1 35 35 ARG CB C 13 34 0.5 . 1 . . . . . . . . 6251 1 101 . 1 1 35 35 ARG HA H 1 5.69 0.05 . 1 . . . . . . . . 6251 1 102 . 1 1 36 36 LEU H H 1 8.8 0.01 . 1 . . . . . . . . 6251 1 103 . 1 1 36 36 LEU N N 15 128.6 0.2 . 1 . . . . . . . . 6251 1 104 . 1 1 36 36 LEU CA C 13 55.8 0.5 . 1 . . . . . . . . 6251 1 105 . 1 1 36 36 LEU CB C 13 43.1 0.5 . 1 . . . . . . . . 6251 1 106 . 1 1 40 40 ASP H H 1 8.47 0.01 . 1 . . . . . . . . 6251 1 107 . 1 1 40 40 ASP N N 15 124.9 0.2 . 1 . . . . . . . . 6251 1 108 . 1 1 40 40 ASP CA C 13 54.2 0.5 . 1 . . . . . . . . 6251 1 109 . 1 1 40 40 ASP CB C 13 41.4 0.5 . 1 . . . . . . . . 6251 1 110 . 1 1 41 41 THR H H 1 8.09 0.01 . 1 . . . . . . . . 6251 1 111 . 1 1 41 41 THR N N 15 115.9 0.2 . 1 . . . . . . . . 6251 1 112 . 1 1 41 41 THR CA C 13 59.4 0.5 . 1 . . . . . . . . 6251 1 113 . 1 1 41 41 THR CB C 13 69.6 0.5 . 1 . . . . . . . . 6251 1 114 . 1 1 43 43 GLU H H 1 8.7 0.01 . 1 . . . . . . . . 6251 1 115 . 1 1 43 43 GLU N N 15 120.7 0.2 . 1 . . . . . . . . 6251 1 116 . 1 1 43 43 GLU CA C 13 56.9 0.5 . 1 . . . . . . . . 6251 1 117 . 1 1 43 43 GLU CB C 13 29.6 0.5 . 1 . . . . . . . . 6251 1 118 . 1 1 43 43 GLU HA H 1 4.27 0.05 . 1 . . . . . . . . 6251 1 119 . 1 1 44 44 THR H H 1 8.03 0.01 . 1 . . . . . . . . 6251 1 120 . 1 1 44 44 THR N N 15 115.5 0.2 . 1 . . . . . . . . 6251 1 121 . 1 1 44 44 THR CA C 13 62.2 0.5 . 1 . . . . . . . . 6251 1 122 . 1 1 44 44 THR CB C 13 69.5 0.5 . 1 . . . . . . . . 6251 1 123 . 1 1 45 45 LYS H H 1 8.23 0.01 . 1 . . . . . . . . 6251 1 124 . 1 1 45 45 LYS N N 15 123.6 0.2 . 1 . . . . . . . . 6251 1 125 . 1 1 45 45 LYS CA C 13 56.3 0.5 . 1 . . . . . . . . 6251 1 126 . 1 1 45 45 LYS CB C 13 32.9 0.5 . 1 . . . . . . . . 6251 1 127 . 1 1 46 46 HIS H H 1 8.38 0.01 . 1 . . . . . . . . 6251 1 128 . 1 1 46 46 HIS N N 15 119.6 0.2 . 1 . . . . . . . . 6251 1 129 . 1 1 46 46 HIS CA C 13 53.1 0.5 . 1 . . . . . . . . 6251 1 130 . 1 1 46 46 HIS CB C 13 28.9 0.5 . 1 . . . . . . . . 6251 1 131 . 1 1 46 46 HIS HA H 1 5 0.05 . 1 . . . . . . . . 6251 1 132 . 1 1 50 50 GLY H H 1 8.55 0.01 . 1 . . . . . . . . 6251 1 133 . 1 1 50 50 GLY N N 15 111.7 0.2 . 1 . . . . . . . . 6251 1 134 . 1 1 50 50 GLY CA C 13 45.3 0.5 . 1 . . . . . . . . 6251 1 135 . 1 1 51 51 VAL H H 1 8.03 0.01 . 1 . . . . . . . . 6251 1 136 . 1 1 51 51 VAL N N 15 119.5 0.2 . 1 . . . . . . . . 6251 1 137 . 1 1 51 51 VAL CA C 13 62.3 0.5 . 1 . . . . . . . . 6251 1 138 . 1 1 51 51 VAL CB C 13 32.7 0.5 . 1 . . . . . . . . 6251 1 139 . 1 1 51 51 VAL HA H 1 4.14 0.05 . 1 . . . . . . . . 6251 1 140 . 1 1 51 51 VAL HB H 1 2.11 0.05 . 1 . . . . . . . . 6251 1 141 . 1 1 52 52 GLU H H 1 8.56 0.01 . 1 . . . . . . . . 6251 1 142 . 1 1 52 52 GLU N N 15 124.9 0.2 . 1 . . . . . . . . 6251 1 143 . 1 1 52 52 GLU CA C 13 56.5 0.5 . 1 . . . . . . . . 6251 1 144 . 1 1 52 52 GLU CB C 13 30.1 0.5 . 1 . . . . . . . . 6251 1 145 . 1 1 52 52 GLU HA H 1 4.27 0.05 . 1 . . . . . . . . 6251 1 146 . 1 1 53 53 LYS H H 1 8.23 0.01 . 1 . . . . . . . . 6251 1 147 . 1 1 53 53 LYS N N 15 122.6 0.2 . 1 . . . . . . . . 6251 1 148 . 1 1 53 53 LYS CB C 13 33.3 0.5 . 1 . . . . . . . . 6251 1 149 . 1 1 53 53 LYS HA H 1 4.24 0.05 . 1 . . . . . . . . 6251 1 150 . 1 1 53 53 LYS CA C 13 56.4 0.5 . 1 . . . . . . . . 6251 1 151 . 1 1 54 54 TYR H H 1 8.22 0.01 . 1 . . . . . . . . 6251 1 152 . 1 1 54 54 TYR N N 15 121 0.2 . 1 . . . . . . . . 6251 1 153 . 1 1 54 54 TYR CA C 13 57.4 0.5 . 1 . . . . . . . . 6251 1 154 . 1 1 54 54 TYR CB C 13 39.3 0.5 . 1 . . . . . . . . 6251 1 155 . 1 1 55 55 GLY H H 1 8.23 0.01 . 1 . . . . . . . . 6251 1 156 . 1 1 55 55 GLY N N 15 110.9 0.2 . 1 . . . . . . . . 6251 1 157 . 1 1 55 55 GLY CA C 13 44.8 0.5 . 1 . . . . . . . . 6251 1 158 . 1 1 59 59 SER H H 1 8.21 0.01 . 1 . . . . . . . . 6251 1 159 . 1 1 59 59 SER N N 15 114.8 0.2 . 1 . . . . . . . . 6251 1 160 . 1 1 59 59 SER CA C 13 58.5 0.5 . 1 . . . . . . . . 6251 1 161 . 1 1 59 59 SER CB C 13 63.8 0.5 . 1 . . . . . . . . 6251 1 162 . 1 1 60 60 ALA H H 1 8.21 0.01 . 1 . . . . . . . . 6251 1 163 . 1 1 60 60 ALA N N 15 126.1 0.2 . 1 . . . . . . . . 6251 1 164 . 1 1 60 60 ALA CA C 13 53 0.5 . 1 . . . . . . . . 6251 1 165 . 1 1 60 60 ALA CB C 13 19.2 0.5 . 1 . . . . . . . . 6251 1 166 . 1 1 64 64 LYS H H 1 7.91 0.01 . 1 . . . . . . . . 6251 1 167 . 1 1 64 64 LYS N N 15 117 0.2 . 1 . . . . . . . . 6251 1 168 . 1 1 64 64 LYS CA C 13 58.5 0.5 . 1 . . . . . . . . 6251 1 169 . 1 1 64 64 LYS CB C 13 32.3 0.5 . 1 . . . . . . . . 6251 1 170 . 1 1 65 65 MET H H 1 7.46 0.01 . 1 . . . . . . . . 6251 1 171 . 1 1 65 65 MET N N 15 119.6 0.2 . 1 . . . . . . . . 6251 1 172 . 1 1 65 65 MET CA C 13 59 0.5 . 1 . . . . . . . . 6251 1 173 . 1 1 65 65 MET CB C 13 30.8 0.5 . 1 . . . . . . . . 6251 1 174 . 1 1 65 65 MET HA H 1 3.75 0.05 . 1 . . . . . . . . 6251 1 175 . 1 1 66 66 TRP H H 1 7.82 0.01 . 1 . . . . . . . . 6251 1 176 . 1 1 66 66 TRP N N 15 119.8 0.2 . 1 . . . . . . . . 6251 1 177 . 1 1 66 66 TRP CA C 13 60.5 0.5 . 1 . . . . . . . . 6251 1 178 . 1 1 66 66 TRP CB C 13 30.4 0.5 . 1 . . . . . . . . 6251 1 179 . 1 1 66 66 TRP HA H 1 4.46 0.05 . 1 . . . . . . . . 6251 1 180 . 1 1 67 67 GLU H H 1 8.06 0.01 . 1 . . . . . . . . 6251 1 181 . 1 1 67 67 GLU N N 15 117.2 0.2 . 1 . . . . . . . . 6251 1 182 . 1 1 67 67 GLU CA C 13 58.4 0.5 . 1 . . . . . . . . 6251 1 183 . 1 1 67 67 GLU CB C 13 29.6 0.5 . 1 . . . . . . . . 6251 1 184 . 1 1 68 68 ASN H H 1 7.87 0.01 . 1 . . . . . . . . 6251 1 185 . 1 1 68 68 ASN N N 15 115.6 0.2 . 1 . . . . . . . . 6251 1 186 . 1 1 68 68 ASN CA C 13 53.1 0.5 . 1 . . . . . . . . 6251 1 187 . 1 1 68 68 ASN CB C 13 39.8 0.5 . 1 . . . . . . . . 6251 1 188 . 1 1 68 68 ASN HA H 1 4.72 0.05 . 1 . . . . . . . . 6251 1 189 . 1 1 68 68 ASN HB2 H 1 2.69 0.05 . 2 . . . . . . . . 6251 1 190 . 1 1 68 68 ASN HB3 H 1 2.85 0.05 . 2 . . . . . . . . 6251 1 191 . 1 1 69 69 ALA H H 1 7.24 0.01 . 1 . . . . . . . . 6251 1 192 . 1 1 69 69 ALA N N 15 124.6 0.2 . 1 . . . . . . . . 6251 1 193 . 1 1 69 69 ALA CA C 13 52.6 0.5 . 1 . . . . . . . . 6251 1 194 . 1 1 69 69 ALA CB C 13 18.4 0.5 . 1 . . . . . . . . 6251 1 195 . 1 1 69 69 ALA HA H 1 4.46 0.05 . 1 . . . . . . . . 6251 1 196 . 1 1 69 69 ALA HB1 H 1 1.45 0.05 . 1 . . . . . . . . 6251 1 197 . 1 1 69 69 ALA HB2 H 1 1.45 0.05 . 1 . . . . . . . . 6251 1 198 . 1 1 69 69 ALA HB3 H 1 1.45 0.05 . 1 . . . . . . . . 6251 1 199 . 1 1 70 70 LYS H H 1 10.01 0.01 . 1 . . . . . . . . 6251 1 200 . 1 1 70 70 LYS N N 15 126.4 0.2 . 1 . . . . . . . . 6251 1 201 . 1 1 70 70 LYS CA C 13 57.5 0.5 . 1 . . . . . . . . 6251 1 202 . 1 1 70 70 LYS CB C 13 32.7 0.5 . 1 . . . . . . . . 6251 1 203 . 1 1 70 70 LYS HA H 1 4.47 0.05 . 1 . . . . . . . . 6251 1 204 . 1 1 70 70 LYS HB2 H 1 1.93 0.05 . 2 . . . . . . . . 6251 1 205 . 1 1 70 70 LYS HB3 H 1 2.11 0.05 . 2 . . . . . . . . 6251 1 206 . 1 1 71 71 LYS H H 1 8.81 0.01 . 1 . . . . . . . . 6251 1 207 . 1 1 71 71 LYS N N 15 122.3 0.2 . 1 . . . . . . . . 6251 1 208 . 1 1 71 71 LYS CA C 13 55.6 0.5 . 1 . . . . . . . . 6251 1 209 . 1 1 71 71 LYS CB C 13 35.3 0.5 . 1 . . . . . . . . 6251 1 210 . 1 1 71 71 LYS HA H 1 4.66 0.05 . 1 . . . . . . . . 6251 1 211 . 1 1 71 71 LYS HB2 H 1 1.73 0.05 . 2 . . . . . . . . 6251 1 212 . 1 1 71 71 LYS HB3 H 1 1.84 0.05 . 2 . . . . . . . . 6251 1 213 . 1 1 72 72 ILE H H 1 9.1 0.01 . 1 . . . . . . . . 6251 1 214 . 1 1 72 72 ILE N N 15 129.8 0.2 . 1 . . . . . . . . 6251 1 215 . 1 1 72 72 ILE CA C 13 59.9 0.5 . 1 . . . . . . . . 6251 1 216 . 1 1 72 72 ILE CB C 13 39.3 0.5 . 1 . . . . . . . . 6251 1 217 . 1 1 72 72 ILE HA H 1 5.19 0.05 . 1 . . . . . . . . 6251 1 218 . 1 1 72 72 ILE HB H 1 1.85 0.05 . 1 . . . . . . . . 6251 1 219 . 1 1 73 73 GLU H H 1 9.08 0.01 . 1 . . . . . . . . 6251 1 220 . 1 1 73 73 GLU N N 15 125.2 0.2 . 1 . . . . . . . . 6251 1 221 . 1 1 73 73 GLU CA C 13 53.9 0.5 . 1 . . . . . . . . 6251 1 222 . 1 1 73 73 GLU CB C 13 36.6 0.5 . 1 . . . . . . . . 6251 1 223 . 1 1 73 73 GLU HA H 1 5.25 0.05 . 1 . . . . . . . . 6251 1 224 . 1 1 73 73 GLU HB2 H 1 1.72 0.05 . 1 . . . . . . . . 6251 1 225 . 1 1 73 73 GLU HB3 H 1 1.72 0.05 . 1 . . . . . . . . 6251 1 226 . 1 1 74 74 VAL H H 1 9.51 0.01 . 1 . . . . . . . . 6251 1 227 . 1 1 74 74 VAL N N 15 119.6 0.2 . 1 . . . . . . . . 6251 1 228 . 1 1 74 74 VAL CA C 13 59.7 0.5 . 1 . . . . . . . . 6251 1 229 . 1 1 74 74 VAL CB C 13 35.4 0.5 . 1 . . . . . . . . 6251 1 230 . 1 1 74 74 VAL HA H 1 4.75 0.05 . 1 . . . . . . . . 6251 1 231 . 1 1 74 74 VAL HB H 1 1.23 0.05 . 1 . . . . . . . . 6251 1 232 . 1 1 75 75 GLU H H 1 9.1 0.01 . 1 . . . . . . . . 6251 1 233 . 1 1 75 75 GLU N N 15 127.6 0.2 . 1 . . . . . . . . 6251 1 234 . 1 1 75 75 GLU CA C 13 53.9 0.5 . 1 . . . . . . . . 6251 1 235 . 1 1 75 75 GLU CB C 13 34.3 0.5 . 1 . . . . . . . . 6251 1 236 . 1 1 75 75 GLU HA H 1 4.94 0.05 . 1 . . . . . . . . 6251 1 237 . 1 1 76 76 PHE H H 1 8.92 0.01 . 1 . . . . . . . . 6251 1 238 . 1 1 76 76 PHE N N 15 125.1 0.2 . 1 . . . . . . . . 6251 1 239 . 1 1 76 76 PHE CA C 13 58.4 0.5 . 1 . . . . . . . . 6251 1 240 . 1 1 76 76 PHE CB C 13 39.9 0.5 . 1 . . . . . . . . 6251 1 241 . 1 1 76 76 PHE HA H 1 4.76 0.05 . 1 . . . . . . . . 6251 1 242 . 1 1 77 77 ASP H H 1 8.65 0.01 . 1 . . . . . . . . 6251 1 243 . 1 1 77 77 ASP N N 15 123.8 0.2 . 1 . . . . . . . . 6251 1 244 . 1 1 77 77 ASP CA C 13 54.1 0.5 . 1 . . . . . . . . 6251 1 245 . 1 1 77 77 ASP CB C 13 42.2 0.5 . 1 . . . . . . . . 6251 1 246 . 1 1 77 77 ASP HA H 1 4.92 0.05 . 1 . . . . . . . . 6251 1 247 . 1 1 78 78 LYS H H 1 8.63 0.01 . 1 . . . . . . . . 6251 1 248 . 1 1 78 78 LYS N N 15 125.2 0.2 . 1 . . . . . . . . 6251 1 249 . 1 1 78 78 LYS CB C 13 32.4 0.5 . 1 . . . . . . . . 6251 1 250 . 1 1 78 78 LYS CA C 13 56.9 0.5 . 1 . . . . . . . . 6251 1 251 . 1 1 79 79 GLY H H 1 8.7 0.01 . 1 . . . . . . . . 6251 1 252 . 1 1 79 79 GLY N N 15 109.4 0.2 . 1 . . . . . . . . 6251 1 253 . 1 1 79 79 GLY CA C 13 45.6 0.5 . 1 . . . . . . . . 6251 1 254 . 1 1 80 80 GLN H H 1 8.14 0.01 . 1 . . . . . . . . 6251 1 255 . 1 1 80 80 GLN N N 15 120.1 0.2 . 1 . . . . . . . . 6251 1 256 . 1 1 80 80 GLN CA C 13 55.8 0.5 . 1 . . . . . . . . 6251 1 257 . 1 1 80 80 GLN CB C 13 29.6 0.5 . 1 . . . . . . . . 6251 1 258 . 1 1 80 80 GLN HA H 1 4.35 0.05 . 1 . . . . . . . . 6251 1 259 . 1 1 81 81 ARG H H 1 8.51 0.01 . 1 . . . . . . . . 6251 1 260 . 1 1 81 81 ARG N N 15 122.2 0.2 . 1 . . . . . . . . 6251 1 261 . 1 1 81 81 ARG CB C 13 30.7 0.5 . 1 . . . . . . . . 6251 1 262 . 1 1 81 81 ARG CA C 13 56.4 0.5 . 1 . . . . . . . . 6251 1 263 . 1 1 81 81 ARG HA H 1 4.38 0.05 . 1 . . . . . . . . 6251 1 264 . 1 1 82 82 THR H H 1 8.11 0.01 . 1 . . . . . . . . 6251 1 265 . 1 1 82 82 THR N N 15 113.7 0.2 . 1 . . . . . . . . 6251 1 266 . 1 1 82 82 THR CA C 13 60.9 0.5 . 1 . . . . . . . . 6251 1 267 . 1 1 82 82 THR CB C 13 70.6 0.5 . 1 . . . . . . . . 6251 1 268 . 1 1 82 82 THR HA H 1 4.63 0.05 . 1 . . . . . . . . 6251 1 269 . 1 1 82 82 THR HB H 1 4.12 0.05 . 1 . . . . . . . . 6251 1 270 . 1 1 90 90 ALA H H 1 9.44 0.01 . 1 . . . . . . . . 6251 1 271 . 1 1 90 90 ALA N N 15 126.1 0.2 . 1 . . . . . . . . 6251 1 272 . 1 1 90 90 ALA CA C 13 50.4 0.5 . 1 . . . . . . . . 6251 1 273 . 1 1 90 90 ALA CB C 13 24 0.5 . 1 . . . . . . . . 6251 1 274 . 1 1 90 90 ALA HA H 1 4.96 0.05 . 1 . . . . . . . . 6251 1 275 . 1 1 91 91 TYR H H 1 8.66 0.01 . 1 . . . . . . . . 6251 1 276 . 1 1 91 91 TYR N N 15 119 0.2 . 1 . . . . . . . . 6251 1 277 . 1 1 91 91 TYR CA C 13 56.2 0.5 . 1 . . . . . . . . 6251 1 278 . 1 1 91 91 TYR CB C 13 40.4 0.5 . 1 . . . . . . . . 6251 1 279 . 1 1 93 93 TYR H H 1 9.34 0.01 . 1 . . . . . . . . 6251 1 280 . 1 1 93 93 TYR N N 15 126.3 0.2 . 1 . . . . . . . . 6251 1 281 . 1 1 93 93 TYR CA C 13 56.2 0.5 . 1 . . . . . . . . 6251 1 282 . 1 1 93 93 TYR CB C 13 41.4 0.5 . 1 . . . . . . . . 6251 1 283 . 1 1 93 93 TYR HA H 1 4.86 0.05 . 1 . . . . . . . . 6251 1 284 . 1 1 94 94 ALA H H 1 8.97 0.01 . 1 . . . . . . . . 6251 1 285 . 1 1 94 94 ALA N N 15 125.2 0.2 . 1 . . . . . . . . 6251 1 286 . 1 1 94 94 ALA CA C 13 50.2 0.5 . 1 . . . . . . . . 6251 1 287 . 1 1 94 94 ALA CB C 13 20.7 0.5 . 1 . . . . . . . . 6251 1 288 . 1 1 94 94 ALA HA H 1 5.19 0.05 . 1 . . . . . . . . 6251 1 289 . 1 1 95 95 ASP H H 1 9.86 0.01 . 1 . . . . . . . . 6251 1 290 . 1 1 95 95 ASP N N 15 126 0.2 . 1 . . . . . . . . 6251 1 291 . 1 1 95 95 ASP CA C 13 56.3 0.5 . 1 . . . . . . . . 6251 1 292 . 1 1 95 95 ASP CB C 13 39.9 0.5 . 1 . . . . . . . . 6251 1 293 . 1 1 96 96 GLY H H 1 9.44 0.01 . 1 . . . . . . . . 6251 1 294 . 1 1 96 96 GLY N N 15 103.9 0.2 . 1 . . . . . . . . 6251 1 295 . 1 1 96 96 GLY CA C 13 45.3 0.5 . 1 . . . . . . . . 6251 1 296 . 1 1 97 97 LYS H H 1 7.83 0.01 . 1 . . . . . . . . 6251 1 297 . 1 1 97 97 LYS N N 15 121.5 0.2 . 1 . . . . . . . . 6251 1 298 . 1 1 97 97 LYS CA C 13 54.3 0.5 . 1 . . . . . . . . 6251 1 299 . 1 1 97 97 LYS CB C 13 34.9 0.5 . 1 . . . . . . . . 6251 1 300 . 1 1 97 97 LYS HA H 1 4.79 0.05 . 1 . . . . . . . . 6251 1 301 . 1 1 98 98 MET H H 1 9.14 0.01 . 1 . . . . . . . . 6251 1 302 . 1 1 98 98 MET N N 15 126.3 0.2 . 1 . . . . . . . . 6251 1 303 . 1 1 98 98 MET CA C 13 56.7 0.5 . 1 . . . . . . . . 6251 1 304 . 1 1 98 98 MET CB C 13 33.3 0.5 . 1 . . . . . . . . 6251 1 305 . 1 1 111 111 VAL H H 1 8.08 0.01 . 1 . . . . . . . . 6251 1 306 . 1 1 111 111 VAL N N 15 122.1 0.2 . 1 . . . . . . . . 6251 1 307 . 1 1 111 111 VAL CA C 13 61.8 0.5 . 1 . . . . . . . . 6251 1 308 . 1 1 111 111 VAL HA H 1 4.09 0.05 . 1 . . . . . . . . 6251 1 309 . 1 1 111 111 VAL HB H 1 2 0.05 . 1 . . . . . . . . 6251 1 310 . 1 1 111 111 VAL CB C 13 33.2 0.5 . 1 . . . . . . . . 6251 1 311 . 1 1 112 112 ALA H H 1 8.34 0.01 . 1 . . . . . . . . 6251 1 312 . 1 1 112 112 ALA N N 15 128.6 0.2 . 1 . . . . . . . . 6251 1 313 . 1 1 112 112 ALA CA C 13 52.1 0.5 . 1 . . . . . . . . 6251 1 314 . 1 1 112 112 ALA CB C 13 19.5 0.5 . 1 . . . . . . . . 6251 1 315 . 1 1 112 112 ALA HA H 1 4.33 0.05 . 1 . . . . . . . . 6251 1 316 . 1 1 113 113 TYR H H 1 8.13 0.01 . 1 . . . . . . . . 6251 1 317 . 1 1 113 113 TYR N N 15 121.3 0.2 . 1 . . . . . . . . 6251 1 318 . 1 1 113 113 TYR CA C 13 57.9 0.5 . 1 . . . . . . . . 6251 1 319 . 1 1 113 113 TYR CB C 13 39.3 0.5 . 1 . . . . . . . . 6251 1 320 . 1 1 113 113 TYR HA H 1 4.52 0.05 . 1 . . . . . . . . 6251 1 321 . 1 1 114 114 VAL H H 1 7.88 0.01 . 1 . . . . . . . . 6251 1 322 . 1 1 114 114 VAL N N 15 124.6 0.2 . 1 . . . . . . . . 6251 1 323 . 1 1 114 114 VAL CA C 13 61.8 0.5 . 1 . . . . . . . . 6251 1 324 . 1 1 114 114 VAL CB C 13 33.3 0.5 . 1 . . . . . . . . 6251 1 325 . 1 1 114 114 VAL HA H 1 4.01 0.05 . 1 . . . . . . . . 6251 1 326 . 1 1 114 114 VAL HB H 1 1.89 0.05 . 1 . . . . . . . . 6251 1 327 . 1 1 115 115 TYR H H 1 8.31 0.01 . 1 . . . . . . . . 6251 1 328 . 1 1 115 115 TYR N N 15 126.3 0.2 . 1 . . . . . . . . 6251 1 329 . 1 1 115 115 TYR CA C 13 57.9 0.5 . 1 . . . . . . . . 6251 1 330 . 1 1 115 115 TYR CB C 13 38.9 0.5 . 1 . . . . . . . . 6251 1 331 . 1 1 116 116 LYS H H 1 8.05 0.01 . 1 . . . . . . . . 6251 1 332 . 1 1 116 116 LYS N N 15 127 0.2 . 1 . . . . . . . . 6251 1 333 . 1 1 116 116 LYS CA C 13 53.5 0.5 . 1 . . . . . . . . 6251 1 334 . 1 1 116 116 LYS CB C 13 33.3 0.5 . 1 . . . . . . . . 6251 1 335 . 1 1 118 118 ASN H H 1 8.53 0.01 . 1 . . . . . . . . 6251 1 336 . 1 1 118 118 ASN N N 15 119.3 0.2 . 1 . . . . . . . . 6251 1 337 . 1 1 118 118 ASN CB C 13 38.8 0.5 . 1 . . . . . . . . 6251 1 338 . 1 1 118 118 ASN CA C 13 53.2 0.5 . 1 . . . . . . . . 6251 1 339 . 1 1 119 119 ASN H H 1 8.43 0.01 . 1 . . . . . . . . 6251 1 340 . 1 1 119 119 ASN N N 15 119.8 0.2 . 1 . . . . . . . . 6251 1 341 . 1 1 119 119 ASN CB C 13 38.9 0.5 . 1 . . . . . . . . 6251 1 342 . 1 1 119 119 ASN CA C 13 53.2 0.5 . 1 . . . . . . . . 6251 1 343 . 1 1 120 120 THR H H 1 8.09 0.01 . 1 . . . . . . . . 6251 1 344 . 1 1 120 120 THR N N 15 114.6 0.2 . 1 . . . . . . . . 6251 1 345 . 1 1 120 120 THR CA C 13 61.8 0.5 . 1 . . . . . . . . 6251 1 346 . 1 1 120 120 THR CB C 13 69.8 0.5 . 1 . . . . . . . . 6251 1 347 . 1 1 120 120 THR HA H 1 4.33 0.05 . 1 . . . . . . . . 6251 1 348 . 1 1 121 121 HIS H H 1 8.12 0.01 . 1 . . . . . . . . 6251 1 349 . 1 1 121 121 HIS N N 15 125.8 0.2 . 1 . . . . . . . . 6251 1 350 . 1 1 121 121 HIS CA C 13 56.9 0.5 . 1 . . . . . . . . 6251 1 351 . 1 1 121 121 HIS CB C 13 30 0.5 . 1 . . . . . . . . 6251 1 352 . 1 1 121 121 HIS HA H 1 4.48 0.05 . 1 . . . . . . . . 6251 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 6251 _Assigned_chem_shift_list.ID 2 _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 'ASSIGNMENTS FOR A SECOND SLOW-EXCHANGE FORM M1' _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 HSQC' 1 $sample_1 . 6251 2 2 HNCACB 1 $sample_1 . 6251 2 3 CBCA(CO)NH 1 $sample_1 . 6251 2 4 HBHA(CBCA)NH 1 $sample_1 . 6251 2 5 HBHA(CBCA)(CO)NH 1 $sample_1 . 6251 2 6 '1H-15N slow exchange spectra' 1 $sample_1 . 6251 2 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 13 13 THR H H 1 8.02 0.01 . 1 . . . . . . . . 6251 2 2 . 1 1 13 13 THR N N 15 110.8 0.2 . 1 . . . . . . . . 6251 2 3 . 1 1 17 17 ALA H H 1 9.49 0.01 . 1 . . . . . . . . 6251 2 4 . 1 1 17 17 ALA N N 15 131.7 0.2 . 1 . . . . . . . . 6251 2 5 . 1 1 20 20 GLY H H 1 8.69 0.01 . 1 . . . . . . . . 6251 2 6 . 1 1 20 20 GLY N N 15 105.8 0.2 . 1 . . . . . . . . 6251 2 7 . 1 1 24 24 LYS H H 1 8.86 0.01 . 1 . . . . . . . . 6251 2 8 . 1 1 24 24 LYS N N 15 127 0.2 . 1 . . . . . . . . 6251 2 9 . 1 1 26 26 MET H H 1 9.61 0.01 . 1 . . . . . . . . 6251 2 10 . 1 1 26 26 MET N N 15 123.2 0.2 . 1 . . . . . . . . 6251 2 11 . 1 1 27 27 TYR H H 1 8.99 0.01 . 1 . . . . . . . . 6251 2 12 . 1 1 27 27 TYR N N 15 130.6 0.2 . 1 . . . . . . . . 6251 2 13 . 1 1 28 28 LYS H H 1 9.32 0.01 . 1 . . . . . . . . 6251 2 14 . 1 1 28 28 LYS N N 15 128.1 0.2 . 1 . . . . . . . . 6251 2 15 . 1 1 29 29 GLY H H 1 8.48 0.01 . 1 . . . . . . . . 6251 2 16 . 1 1 29 29 GLY N N 15 103.2 0.2 . 1 . . . . . . . . 6251 2 17 . 1 1 30 30 GLN H H 1 7.93 0.01 . 1 . . . . . . . . 6251 2 18 . 1 1 30 30 GLN N N 15 120.6 0.2 . 1 . . . . . . . . 6251 2 19 . 1 1 34 34 PHE H H 1 9.33 0.01 . 1 . . . . . . . . 6251 2 20 . 1 1 34 34 PHE N N 15 127.4 0.2 . 1 . . . . . . . . 6251 2 21 . 1 1 41 41 THR H H 1 8.17 0.01 . 1 . . . . . . . . 6251 2 22 . 1 1 41 41 THR N N 15 116.5 0.2 . 1 . . . . . . . . 6251 2 23 . 1 1 43 43 GLU H H 1 8.65 0.01 . 1 . . . . . . . . 6251 2 24 . 1 1 43 43 GLU N N 15 120.8 0.2 . 1 . . . . . . . . 6251 2 25 . 1 1 44 44 THR H H 1 7.97 0.01 . 1 . . . . . . . . 6251 2 26 . 1 1 44 44 THR N N 15 115.2 0.2 . 1 . . . . . . . . 6251 2 27 . 1 1 45 45 LYS H H 1 8.17 0.01 . 1 . . . . . . . . 6251 2 28 . 1 1 45 45 LYS N N 15 123.5 0.2 . 1 . . . . . . . . 6251 2 29 . 1 1 59 59 SER H H 1 8.24 0.01 . 1 . . . . . . . . 6251 2 30 . 1 1 59 59 SER N N 15 115.3 0.2 . 1 . . . . . . . . 6251 2 31 . 1 1 65 65 MET H H 1 7.49 0.01 . 1 . . . . . . . . 6251 2 32 . 1 1 65 65 MET N N 15 119.7 0.2 . 1 . . . . . . . . 6251 2 33 . 1 1 66 66 TRP H H 1 7.72 0.01 . 1 . . . . . . . . 6251 2 34 . 1 1 66 66 TRP N N 15 119.9 0.2 . 1 . . . . . . . . 6251 2 35 . 1 1 67 67 GLU H H 1 8.04 0.01 . 1 . . . . . . . . 6251 2 36 . 1 1 67 67 GLU N N 15 117.3 0.2 . 1 . . . . . . . . 6251 2 37 . 1 1 68 68 ASN H H 1 7.81 0.01 . 1 . . . . . . . . 6251 2 38 . 1 1 68 68 ASN N N 15 115.5 0.2 . 1 . . . . . . . . 6251 2 39 . 1 1 69 69 ALA H H 1 7.25 0.01 . 1 . . . . . . . . 6251 2 40 . 1 1 69 69 ALA N N 15 124.9 0.2 . 1 . . . . . . . . 6251 2 41 . 1 1 70 70 LYS H H 1 9.89 0.01 . 1 . . . . . . . . 6251 2 42 . 1 1 70 70 LYS N N 15 126.4 0.2 . 1 . . . . . . . . 6251 2 43 . 1 1 72 72 ILE H H 1 9.16 0.01 . 1 . . . . . . . . 6251 2 44 . 1 1 72 72 ILE N N 15 130.7 0.2 . 1 . . . . . . . . 6251 2 45 . 1 1 74 74 VAL H H 1 9.46 0.01 . 1 . . . . . . . . 6251 2 46 . 1 1 74 74 VAL N N 15 119.5 0.2 . 1 . . . . . . . . 6251 2 47 . 1 1 75 75 GLU H H 1 9.14 0.01 . 1 . . . . . . . . 6251 2 48 . 1 1 75 75 GLU N N 15 128.3 0.2 . 1 . . . . . . . . 6251 2 49 . 1 1 76 76 PHE H H 1 9.07 0.01 . 1 . . . . . . . . 6251 2 50 . 1 1 76 76 PHE N N 15 125.9 0.2 . 1 . . . . . . . . 6251 2 51 . 1 1 77 77 ASP H H 1 8.79 0.01 . 1 . . . . . . . . 6251 2 52 . 1 1 77 77 ASP N N 15 124.2 0.2 . 1 . . . . . . . . 6251 2 53 . 1 1 79 79 GLY H H 1 8.61 0.01 . 1 . . . . . . . . 6251 2 54 . 1 1 79 79 GLY N N 15 109.3 0.2 . 1 . . . . . . . . 6251 2 55 . 1 1 82 82 THR H H 1 8.18 0.01 . 1 . . . . . . . . 6251 2 56 . 1 1 82 82 THR N N 15 114.6 0.2 . 1 . . . . . . . . 6251 2 57 . 1 1 91 91 TYR H H 1 8.86 0.01 . 1 . . . . . . . . 6251 2 58 . 1 1 91 91 TYR N N 15 119.4 0.2 . 1 . . . . . . . . 6251 2 59 . 1 1 93 93 TYR H H 1 9.49 0.01 . 1 . . . . . . . . 6251 2 60 . 1 1 93 93 TYR N N 15 127 0.2 . 1 . . . . . . . . 6251 2 61 . 1 1 95 95 ASP H H 1 9.78 0.01 . 1 . . . . . . . . 6251 2 62 . 1 1 95 95 ASP N N 15 126.1 0.2 . 1 . . . . . . . . 6251 2 63 . 1 1 97 97 LYS H H 1 7.82 0.01 . 1 . . . . . . . . 6251 2 64 . 1 1 97 97 LYS N N 15 122.3 0.2 . 1 . . . . . . . . 6251 2 65 . 1 1 98 98 MET H H 1 8.94 0.01 . 1 . . . . . . . . 6251 2 66 . 1 1 98 98 MET N N 15 127.3 0.2 . 1 . . . . . . . . 6251 2 stop_ save_