data_6250 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6250 _Entry.Title ; Backbone Chemical Shift Assignments for G88W121 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 . . . 6250 2 Dongsheng Liu . . . 6250 3 Jinfeng Wang . . . 6250 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6250 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 306 6250 '15N chemical shifts' 99 6250 '13C chemical shifts' 185 6250 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 . 6250 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6251 V66W121 6250 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6250 _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 . . . 6250 1 2 Dongsheng Liu . . . 6250 1 3 Jinfeng Wang . . . 6250 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6250 _Assembly.ID 1 _Assembly.Name G88W121 _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 6250 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 G88W121 1 $G88W121 . . . native . . . . . 6250 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID G88W121 system 6250 1 G88W121 abbreviation 6250 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_G88W121 _Entity.Sf_category entity _Entity.Sf_framecode G88W121 _Entity.Entry_ID 6250 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name G88W121 _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 FTKKMVENAKKIEVEFDKGQ RTDKYGRWLAYIYADGKMVN 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 . . . . 6250 1 2 no BMRB 15357 . "SNase complex -subdomain" . . . . . 100.00 156 99.17 99.17 5.35e-80 . . . . 6250 1 3 no BMRB 1581 . "micrococcal nuclease" . . . . . 95.87 156 98.28 99.14 5.38e-76 . . . . 6250 1 4 no BMRB 1582 . "micrococcal nuclease" . . . . . 95.87 156 97.41 99.14 2.12e-75 . . . . 6250 1 5 no BMRB 16585 . SNase140 . . . . . 100.00 140 99.17 99.17 3.62e-80 . . . . 6250 1 6 no BMRB 1704 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.85e-80 . . . . 6250 1 7 no BMRB 17718 . Staphylococcal_nuclease . . . . . 100.00 149 99.17 99.17 1.84e-80 . . . . 6250 1 8 no BMRB 18013 . SNase_PHS . . . . . 100.00 149 98.35 98.35 4.65e-79 . . . . 6250 1 9 no BMRB 1874 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.85e-80 . . . . 6250 1 10 no BMRB 1875 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.85e-80 . . . . 6250 1 11 no BMRB 1876 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.85e-80 . . . . 6250 1 12 no BMRB 1877 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.85e-80 . . . . 6250 1 13 no BMRB 1878 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.85e-80 . . . . 6250 1 14 no BMRB 18788 . staph_nuc_E43S . . . . . 100.00 149 98.35 98.35 9.87e-80 . . . . 6250 1 15 no BMRB 188 . "micrococcal nuclease" . . . . . 100.00 156 98.35 99.17 1.67e-79 . . . . 6250 1 16 no BMRB 189 . "micrococcal nuclease" . . . . . 100.00 156 98.35 99.17 1.67e-79 . . . . 6250 1 17 no BMRB 2784 . "micrococcal nuclease" . . . . . 100.00 156 98.35 99.17 1.67e-79 . . . . 6250 1 18 no BMRB 2785 . "micrococcal nuclease" . . . . . 100.00 156 98.35 99.17 1.67e-79 . . . . 6250 1 19 no BMRB 4010 . SNOB . . . . . 85.12 103 98.06 99.03 2.19e-65 . . . . 6250 1 20 no BMRB 4052 . staph-nucl-H124L . . . . . 100.00 149 99.17 99.17 1.84e-80 . . . . 6250 1 21 no BMRB 4053 . staph-nucl-H124L . . . . . 100.00 149 99.17 99.17 1.84e-80 . . . . 6250 1 22 no BMRB 4905 . Snase . . . . . 90.91 110 100.00 100.00 7.10e-73 . . . . 6250 1 23 no BMRB 494 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.85e-80 . . . . 6250 1 24 no BMRB 495 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.85e-80 . . . . 6250 1 25 no BMRB 496 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.85e-80 . . . . 6250 1 26 no BMRB 497 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.85e-80 . . . . 6250 1 27 no BMRB 530 . "micrococcal nuclease" . . . . . 100.00 143 99.17 99.17 2.85e-80 . . . . 6250 1 28 no BMRB 5536 . G88W110_Snase . . . . . 90.91 110 100.00 100.00 7.10e-73 . . . . 6250 1 29 no BMRB 6251 . V66W121 . . . . . 100.00 121 98.35 98.35 8.55e-79 . . . . 6250 1 30 no BMRB 644 . "micrococcal nuclease" . . . . . 100.00 156 98.35 99.17 1.67e-79 . . . . 6250 1 31 no BMRB 6907 . V66W110_fragment_of_staphylococcal_nuclease . . . . . 90.91 110 98.18 98.18 1.49e-69 . . . . 6250 1 32 no BMRB 6908 . SNase110_fragment_of_Staphylococcal_Nuclease . . . . . 90.91 110 99.09 99.09 3.30e-71 . . . . 6250 1 33 no PDB 1A2T . "Staphylococcal Nuclease, B-Mercaptoethanol Disulfide To V23c Variant" . . . . . 100.00 149 98.35 98.35 1.67e-79 . . . . 6250 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 1.67e-79 . . . . 6250 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 1.67e-79 . . . . 6250 1 36 no PDB 1A3U . "Staphylococcal Nuclease, Cyclohexane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.35 98.35 1.67e-79 . . . . 6250 1 37 no PDB 1A3V . "Staphylococcal Nuclease, Cyclopentane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.35 98.35 1.67e-79 . . . . 6250 1 38 no PDB 1AEX . "Staphylococcal Nuclease, Methane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.35 98.35 1.67e-79 . . . . 6250 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 1.42e-75 . . . . 6250 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 1.21e-79 . . . . 6250 1 41 no PDB 1EY0 . "Structure Of Wild-Type S. Nuclease At 1.6 A Resolution" . . . . . 100.00 149 99.17 99.17 2.72e-80 . . . . 6250 1 42 no PDB 1EY4 . "Structure Of S. Nuclease Stabilizing Mutant S59a" . . . . . 100.00 149 98.35 99.17 9.35e-80 . . . . 6250 1 43 no PDB 1EY5 . "Structure Of S. Nuclease Stabilizing Mutant T33v" . . . . . 100.00 149 98.35 98.35 1.19e-79 . . . . 6250 1 44 no PDB 1EY6 . "Structure Of S. Nuclease Stabilizing Mutant T41i" . . . . . 100.00 149 98.35 98.35 1.67e-79 . . . . 6250 1 45 no PDB 1EY7 . "Structure Of S. Nuclease Stabilizing Mutant S128a" . . . . . 100.00 149 99.17 99.17 2.97e-80 . . . . 6250 1 46 no PDB 1EY8 . "Structure Of S. Nuclease Stabilizing Triple Mutant P117gH124LS128A" . . . . . 100.00 149 98.35 98.35 4.65e-79 . . . . 6250 1 47 no PDB 1EY9 . "Structure Of S. Nuclease Stabilizing Quadruple Mutant T41iP117GH124LS128A" . . . . . 100.00 149 97.52 97.52 3.27e-78 . . . . 6250 1 48 no PDB 1EYD . "Structure Of Wild-Type S. Nuclease At 1.7 A Resolution" . . . . . 100.00 149 99.17 99.17 2.72e-80 . . . . 6250 1 49 no PDB 1EZ8 . "Structure Of S. Nuclease Stabilizing Mutant T33v" . . . . . 100.00 149 98.35 98.35 1.19e-79 . . . . 6250 1 50 no PDB 1F2M . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 97.52 97.52 4.50e-79 . . . . 6250 1 51 no PDB 1F2Y . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 97.52 97.52 1.80e-78 . . . . 6250 1 52 no PDB 1F2Z . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 97.52 97.52 1.80e-78 . . . . 6250 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 1.84e-80 . . . . 6250 1 54 no PDB 1JOO . "Averaged Structure For Unligated Staphylococcal Nuclease- H124l" . . . . . 100.00 149 99.17 99.17 1.84e-80 . . . . 6250 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 1.84e-80 . . . . 6250 1 56 no PDB 1JOR . "Ensemble Structures For Unligated Staphylococcal Nuclease- H124l" . . . . . 100.00 149 99.17 99.17 1.84e-80 . . . . 6250 1 57 no PDB 1KAA . "Stress And Strain In Staphylococcal Nuclease" . . . . . 95.87 136 98.28 98.28 4.81e-76 . . . . 6250 1 58 no PDB 1KAB . "Stress And Strain In Staphylococcal Nuclease" . . . . . 95.87 136 98.28 98.28 7.85e-76 . . . . 6250 1 59 no PDB 1KDA . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 98.35 98.35 1.84e-79 . . . . 6250 1 60 no PDB 1KDB . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 98.35 99.17 8.95e-80 . . . . 6250 1 61 no PDB 1KDC . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 98.35 98.35 1.25e-79 . . . . 6250 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 2.72e-80 . . . . 6250 1 63 no PDB 1NUC . "Staphylococcal Nuclease, V23c Variant" . . . . . 100.00 149 98.35 98.35 7.85e-80 . . . . 6250 1 64 no PDB 1RKN . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With G88w Mutation" . . . . . 90.91 110 100.00 100.00 7.10e-73 . . . . 6250 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 2.72e-80 . . . . 6250 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 9.35e-80 . . . . 6250 1 67 no PDB 1SNO . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 99.17 99.17 1.84e-80 . . . . 6250 1 68 no PDB 1SNP . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 98.35 98.35 3.66e-79 . . . . 6250 1 69 no PDB 1SNQ . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 97.52 97.52 6.58e-78 . . . . 6250 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 2.75e-78 . . . . 6250 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 1.38e-78 . . . . 6250 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 2.72e-80 . . . . 6250 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 2.72e-80 . . . . 6250 1 74 no PDB 1STN . "The Crystal Structure Of Staphylococcal Nuclease Refined At 1.7 Angstroms Resolution" . . . . . 100.00 149 99.17 99.17 2.72e-80 . . . . 6250 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 2.44e-80 . . . . 6250 1 76 no PDB 1SYC . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.35 98.35 5.24e-79 . . . . 6250 1 77 no PDB 1SYD . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.35 98.35 5.24e-79 . . . . 6250 1 78 no PDB 1SYE . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.35 98.35 3.28e-79 . . . . 6250 1 79 no PDB 1SYF . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.35 98.35 3.28e-79 . . . . 6250 1 80 no PDB 1SYG . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.35 98.35 2.66e-79 . . . . 6250 1 81 no PDB 1U9R . "Crystal Structure Of Staphylococcal Nuclease Mutant V66eP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 97.52 97.52 4.07e-78 . . . . 6250 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 1.42e-75 . . . . 6250 1 83 no PDB 2EXZ . "Crystal Structure Of Staphylococcal Nuclease Mutant T22c" . . . . . 100.00 149 98.35 98.35 1.02e-79 . . . . 6250 1 84 no PDB 2EY1 . "Crystal Structure Of Staphylococcal Nuclease Mutant T22v" . . . . . 100.00 149 98.35 98.35 1.19e-79 . . . . 6250 1 85 no PDB 2EY2 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41c" . . . . . 100.00 149 98.35 98.35 1.02e-79 . . . . 6250 1 86 no PDB 2EY5 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41s" . . . . . 100.00 149 98.35 99.17 5.91e-80 . . . . 6250 1 87 no PDB 2EY6 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41v" . . . . . 100.00 149 98.35 98.35 1.19e-79 . . . . 6250 1 88 no PDB 2EYF . "Crystal Structure Of Staphylococcal Nuclease Mutant T44v" . . . . . 100.00 149 98.35 98.35 1.19e-79 . . . . 6250 1 89 no PDB 2EYH . "Crystal Structure Of Staphylococcal Nuclease Mutant T62s" . . . . . 100.00 149 98.35 99.17 5.91e-80 . . . . 6250 1 90 no PDB 2EYJ . "Crystal Structure Of Staphylococcal Nuclease Mutant T62v" . . . . . 100.00 149 98.35 98.35 1.19e-79 . . . . 6250 1 91 no PDB 2EYL . "Crystal Structure Of Staphylococcal Nuclease Mutant T82s" . . . . . 100.00 149 98.35 99.17 5.91e-80 . . . . 6250 1 92 no PDB 2EYM . "Crystal Structure Of Staphylococcal Nuclease Mutant T120c" . . . . . 100.00 149 98.35 98.35 1.02e-79 . . . . 6250 1 93 no PDB 2EYO . "Crystal Structure Of Staphylococcal Nuclease Mutant T120s" . . . . . 100.00 149 98.35 99.17 5.91e-80 . . . . 6250 1 94 no PDB 2EYP . "Crystal Structure Of Staphylococcal Nuclease Mutant T120v" . . . . . 100.00 149 98.35 98.35 1.19e-79 . . . . 6250 1 95 no PDB 2F0D . "Crystal Structure Of Staphylococcal Nuclease Mutant I92v" . . . . . 100.00 149 98.35 99.17 4.50e-80 . . . . 6250 1 96 no PDB 2F0E . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l" . . . . . 100.00 149 98.35 99.17 7.27e-80 . . . . 6250 1 97 no PDB 2F0F . "Crystal Structure Of Staphylococcal Nuclease Mutant L25i" . . . . . 100.00 149 98.35 99.17 5.98e-80 . . . . 6250 1 98 no PDB 2F0G . "Crystal Structure Of Staphylococcal Nuclease Mutant V66i" . . . . . 100.00 149 98.35 99.17 3.82e-80 . . . . 6250 1 99 no PDB 2F0H . "Crystal Structure Of Staphylococcal Nuclease Mutant V66l" . . . . . 100.00 149 98.35 99.17 7.27e-80 . . . . 6250 1 100 no PDB 2F0I . "Crystal Structure Of Staphylococcal Nuclease Mutant I72l" . . . . . 100.00 149 98.35 99.17 6.52e-80 . . . . 6250 1 101 no PDB 2F0J . "Crystal Structure Of Staphylococcal Nuclease Mutant I72v" . . . . . 100.00 149 98.35 99.17 4.50e-80 . . . . 6250 1 102 no PDB 2F0K . "Crystal Structure Of Staphylococcal Nuclease Mutant V23iL25I" . . . . . 100.00 149 97.52 99.17 9.76e-80 . . . . 6250 1 103 no PDB 2F0L . "Crystal Structure Of Staphylococcal Nuclease Mutant V23lI72L" . . . . . 100.00 149 97.52 99.17 2.17e-79 . . . . 6250 1 104 no PDB 2F0M . "Crystal Structure Of Staphylococcal Nuclease Mutant V23lI72V" . . . . . 100.00 149 97.52 99.17 1.37e-79 . . . . 6250 1 105 no PDB 2F0N . "Crystal Structure Of Staphylococcal Nuclease Mutant L25iI72L" . . . . . 100.00 149 97.52 99.17 1.68e-79 . . . . 6250 1 106 no PDB 2F0O . "Crystal Structure Of Staphylococcal Nuclease Mutant V66iI72V" . . . . . 100.00 149 97.52 99.17 7.43e-80 . . . . 6250 1 107 no PDB 2F0P . "Crystal Structure Of Staphylococcal Nuclease Mutant V66iV99I" . . . . . 100.00 149 97.52 99.17 4.75e-80 . . . . 6250 1 108 no PDB 2F0Q . "Crystal Structure Of Staphylococcal Nuclease Mutant V66lI92L" . . . . . 100.00 149 97.52 99.17 2.17e-79 . . . . 6250 1 109 no PDB 2F0S . "Crystal Structure Of Staphylococcal Nuclease Mutant V66lI92V" . . . . . 100.00 149 97.52 99.17 1.37e-79 . . . . 6250 1 110 no PDB 2F0T . "Crystal Structure Of Staphylococcal Nuclease Mutant V66lV99I" . . . . . 100.00 149 97.52 99.17 1.14e-79 . . . . 6250 1 111 no PDB 2F3V . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With V66w Mutation" . . . . . 90.91 110 98.18 98.18 1.49e-69 . . . . 6250 1 112 no PDB 2F3W . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease In 2m Tmao" . . . . . 90.91 110 99.09 99.09 3.30e-71 . . . . 6250 1 113 no PDB 2KHS . "Solution Structure Of Snase121:snase(111-143) Complex" . . . . . 100.00 121 99.17 99.17 2.31e-80 . . . . 6250 1 114 no PDB 2KQ3 . "Solution Structure Of Snase140" . . . . . 100.00 140 99.17 99.17 3.62e-80 . . . . 6250 1 115 no PDB 2LKV . "Staphylococcal Nuclease Phs Variant" . . . . . 100.00 149 98.35 98.35 4.65e-79 . . . . 6250 1 116 no PDB 2M00 . "Solution Structure Of Staphylococcal Nuclease E43s Mutant In The Presence Of Ssdna And Cd2+" . . . . . 100.00 149 98.35 98.35 9.87e-80 . . . . 6250 1 117 no PDB 2NUC . "Staphlococcal Nuclease, Ethane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.35 98.35 1.67e-79 . . . . 6250 1 118 no PDB 2OXP . "Crystal Structure Of Staphylococcal Nuclease Mutant V66dP117GH124LS128A" . . . . . 100.00 149 97.52 97.52 5.47e-78 . . . . 6250 1 119 no PDB 2PW5 . "Crystal Structure Of Staphylococcal Nuclease Variant V66yP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 97.52 97.52 4.69e-78 . . . . 6250 1 120 no PDB 2PW7 . "Crystal Structure Of Staphylococcal Nuclease Variant V66yP117GH124LS128A AT 100K" . . . . . 100.00 149 97.52 97.52 4.69e-78 . . . . 6250 1 121 no PDB 2PYK . "Crystal Structure Of Staphylococcal Nuclease Variant V66qP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 97.52 97.52 3.20e-78 . . . . 6250 1 122 no PDB 2PZT . "Crystal Structure Of Staphylococcal Nuclease Variant V66qP117GH124LS128A AT 100 K" . . . . . 100.00 149 97.52 97.52 3.20e-78 . . . . 6250 1 123 no PDB 2PZU . "Crystal Structure Of Staphylococcal Nuclease Variant V66nP117GH124LS128A AT CRYOGENIC TEMPERATURE" . . . . . 100.00 149 97.52 97.52 4.64e-78 . . . . 6250 1 124 no PDB 2PZW . "Crystal Structure Of Staphylococcal Nuclease Variant V66nP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 97.52 97.52 4.64e-78 . . . . 6250 1 125 no PDB 2RKS . "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38k At Cryogenic Temperature" . . . . . 100.00 149 97.52 97.52 5.71e-78 . . . . 6250 1 126 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 98.35 98.35 2.75e-79 . . . . 6250 1 127 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 1.27e-79 . . . . 6250 1 128 no PDB 2SOB . "Sn-Ob, Ob-Fold Sub-Domain Of Staphylococcal Nuclease, Nmr, 10 Structures" . . . . . 85.12 103 98.06 99.03 2.19e-65 . . . . 6250 1 129 no PDB 3D6C . "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38e At Cryogenic Temperature" . . . . . 100.00 149 97.52 97.52 5.35e-78 . . . . 6250 1 130 no PDB 3DMU . "Crystal Structure Of Staphylococcal Nuclease Variant Phs T62k At Cryogenic Temperature" . . . . . 100.00 149 97.52 97.52 3.53e-78 . . . . 6250 1 131 no PDB 3NUC . "Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.35 98.35 1.67e-79 . . . . 6250 1 132 no PDB 4G57 . "Staphylococcal Nuclease Double Mutant I72l, I92l" . . . . . 95.04 135 97.39 99.13 2.17e-75 . . . . 6250 1 133 no PDB 4H7B . "Crystal Structure Of Staphylococcal Nuclease Mutant I72vV99L" . . . . . 100.00 149 97.52 99.17 1.37e-79 . . . . 6250 1 134 no PDB 4ID6 . "Crystal Structure Of Staphylococcal Nuclease Mutant V23i/i72l" . . . . . 100.00 149 97.52 99.17 9.55e-80 . . . . 6250 1 135 no PDB 4K14 . "Crystal Structure Of Staphylococcal Nuclease Mutant V66i/v99l" . . . . . 95.87 136 97.41 99.14 3.70e-76 . . . . 6250 1 136 no PDB 4K5X . "Crystal Structure Of Staphylococcal Nuclease Variant V23m/l36f At Cryogenic Temperature" . . . . . 100.00 149 97.52 98.35 3.42e-79 . . . . 6250 1 137 no PDB 4K6D . "Crystal Structure Of Staphylococcal Nuclease Variant V23m/t62f At Cryogenic Temperature" . . . . . 100.00 149 97.52 98.35 1.25e-78 . . . . 6250 1 138 no PDB 4K8I . "Crystal Structure Of Staphylococcal Nuclease Mutant I92v/v99l" . . . . . 95.04 135 97.39 99.13 2.05e-75 . . . . 6250 1 139 no PDB 4K8J . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l/v66i" . . . . . 95.04 135 97.39 99.13 1.39e-75 . . . . 6250 1 140 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 2.72e-80 . . . . 6250 1 141 no PDB 5NUC . "Staphylococcal Nuclease, 1-N-Pentane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.35 98.35 1.67e-79 . . . . 6250 1 142 no DBJ BAB41979 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus N315]" . . . . . 100.00 228 98.35 98.35 4.00e-80 . . . . 6250 1 143 no DBJ BAB56977 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 228 98.35 98.35 4.00e-80 . . . . 6250 1 144 no DBJ BAB94634 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 228 99.17 99.17 9.72e-81 . . . . 6250 1 145 no DBJ BAF67032 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 100.00 228 99.17 99.17 9.83e-81 . . . . 6250 1 146 no DBJ BAF77694 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 100.00 228 98.35 98.35 4.00e-80 . . . . 6250 1 147 no EMBL CAA24594 . "nuclease [Staphylococcus aureus]" . . . . . 100.00 231 99.17 99.17 1.13e-80 . . . . 6250 1 148 no EMBL CAG39855 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 100.00 228 99.17 99.17 7.25e-81 . . . . 6250 1 149 no EMBL CAG42530 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 100.00 228 99.17 99.17 9.72e-81 . . . . 6250 1 150 no EMBL CAI80436 . "staphylococcal thermonuclease precursor [Staphylococcus aureus RF122]" . . . . . 100.00 228 98.35 99.17 5.67e-80 . . . . 6250 1 151 no EMBL CAQ49298 . "thermonuclease (TNase) (Micrococcal nuclease)(Staphylococcal nuclease) [Staphylococcus aureus subsp. aureus ST398]" . . . . . 100.00 228 99.17 99.17 7.57e-81 . . . . 6250 1 152 no GB AAC14660 . "deltaSP-Nuc [Cloning vector pFUN]" . . . . . 100.00 155 99.17 99.17 3.82e-80 . . . . 6250 1 153 no GB AAW36415 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus COL]" . . . . . 100.00 228 99.17 99.17 9.83e-81 . . . . 6250 1 154 no GB ABD22328 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 100.00 228 99.17 99.17 9.83e-81 . . . . 6250 1 155 no GB ABD29945 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 100.00 228 99.17 99.17 9.83e-81 . . . . 6250 1 156 no GB ABE02272 . "nuclease [Staphylococcus aureus]" . . . . . 100.00 227 98.35 98.35 5.55e-80 . . . . 6250 1 157 no PRF 1109959A . nuclease,staphylococcal . . . . . 100.00 242 99.17 99.17 1.22e-80 . . . . 6250 1 158 no PRF 710414A . nuclease . . . . . 100.00 149 99.17 99.17 2.72e-80 . . . . 6250 1 159 no REF NP_371339 . "nuclease [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 228 98.35 98.35 4.00e-80 . . . . 6250 1 160 no REF NP_374001 . "nuclease [Staphylococcus aureus subsp. aureus N315]" . . . . . 100.00 228 98.35 98.35 4.00e-80 . . . . 6250 1 161 no REF NP_645586 . "nuclease [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 228 99.17 99.17 9.72e-81 . . . . 6250 1 162 no REF WP_000141556 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 99.17 99.17 1.03e-80 . . . . 6250 1 163 no REF WP_000141557 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 98.35 98.35 4.00e-80 . . . . 6250 1 164 no SP P00644 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Contains:" . . . . . 100.00 231 99.17 99.17 1.13e-80 . . . . 6250 1 165 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 9.83e-81 . . . . 6250 1 166 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 9.72e-81 . . . . 6250 1 167 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 7.25e-81 . . . . 6250 1 168 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 4.00e-80 . . . . 6250 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID G88W121 common 6250 1 G88W121 abbreviation 6250 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 . 6250 1 2 . THR . 6250 1 3 . SER . 6250 1 4 . THR . 6250 1 5 . LYS . 6250 1 6 . LYS . 6250 1 7 . LEU . 6250 1 8 . HIS . 6250 1 9 . LYS . 6250 1 10 . GLU . 6250 1 11 . PRO . 6250 1 12 . ALA . 6250 1 13 . THR . 6250 1 14 . LEU . 6250 1 15 . ILE . 6250 1 16 . LYS . 6250 1 17 . ALA . 6250 1 18 . ILE . 6250 1 19 . ASP . 6250 1 20 . GLY . 6250 1 21 . ASP . 6250 1 22 . THR . 6250 1 23 . VAL . 6250 1 24 . LYS . 6250 1 25 . LEU . 6250 1 26 . MET . 6250 1 27 . TYR . 6250 1 28 . LYS . 6250 1 29 . GLY . 6250 1 30 . GLN . 6250 1 31 . PRO . 6250 1 32 . MET . 6250 1 33 . THR . 6250 1 34 . PHE . 6250 1 35 . ARG . 6250 1 36 . LEU . 6250 1 37 . LEU . 6250 1 38 . LEU . 6250 1 39 . VAL . 6250 1 40 . ASP . 6250 1 41 . THR . 6250 1 42 . PRO . 6250 1 43 . GLU . 6250 1 44 . THR . 6250 1 45 . LYS . 6250 1 46 . HIS . 6250 1 47 . PRO . 6250 1 48 . LYS . 6250 1 49 . LYS . 6250 1 50 . GLY . 6250 1 51 . VAL . 6250 1 52 . GLU . 6250 1 53 . LYS . 6250 1 54 . TYR . 6250 1 55 . GLY . 6250 1 56 . PRO . 6250 1 57 . GLU . 6250 1 58 . ALA . 6250 1 59 . SER . 6250 1 60 . ALA . 6250 1 61 . PHE . 6250 1 62 . THR . 6250 1 63 . LYS . 6250 1 64 . LYS . 6250 1 65 . MET . 6250 1 66 . VAL . 6250 1 67 . GLU . 6250 1 68 . ASN . 6250 1 69 . ALA . 6250 1 70 . LYS . 6250 1 71 . LYS . 6250 1 72 . ILE . 6250 1 73 . GLU . 6250 1 74 . VAL . 6250 1 75 . GLU . 6250 1 76 . PHE . 6250 1 77 . ASP . 6250 1 78 . LYS . 6250 1 79 . GLY . 6250 1 80 . GLN . 6250 1 81 . ARG . 6250 1 82 . THR . 6250 1 83 . ASP . 6250 1 84 . LYS . 6250 1 85 . TYR . 6250 1 86 . GLY . 6250 1 87 . ARG . 6250 1 88 . TRP . 6250 1 89 . LEU . 6250 1 90 . ALA . 6250 1 91 . TYR . 6250 1 92 . ILE . 6250 1 93 . TYR . 6250 1 94 . ALA . 6250 1 95 . ASP . 6250 1 96 . GLY . 6250 1 97 . LYS . 6250 1 98 . MET . 6250 1 99 . VAL . 6250 1 100 . ASN . 6250 1 101 . GLU . 6250 1 102 . ALA . 6250 1 103 . LEU . 6250 1 104 . VAL . 6250 1 105 . ARG . 6250 1 106 . GLN . 6250 1 107 . GLY . 6250 1 108 . LEU . 6250 1 109 . ALA . 6250 1 110 . LYS . 6250 1 111 . VAL . 6250 1 112 . ALA . 6250 1 113 . TYR . 6250 1 114 . VAL . 6250 1 115 . TYR . 6250 1 116 . LYS . 6250 1 117 . PRO . 6250 1 118 . ASN . 6250 1 119 . ASN . 6250 1 120 . THR . 6250 1 121 . HIS . 6250 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 6250 1 . THR 2 2 6250 1 . SER 3 3 6250 1 . THR 4 4 6250 1 . LYS 5 5 6250 1 . LYS 6 6 6250 1 . LEU 7 7 6250 1 . HIS 8 8 6250 1 . LYS 9 9 6250 1 . GLU 10 10 6250 1 . PRO 11 11 6250 1 . ALA 12 12 6250 1 . THR 13 13 6250 1 . LEU 14 14 6250 1 . ILE 15 15 6250 1 . LYS 16 16 6250 1 . ALA 17 17 6250 1 . ILE 18 18 6250 1 . ASP 19 19 6250 1 . GLY 20 20 6250 1 . ASP 21 21 6250 1 . THR 22 22 6250 1 . VAL 23 23 6250 1 . LYS 24 24 6250 1 . LEU 25 25 6250 1 . MET 26 26 6250 1 . TYR 27 27 6250 1 . LYS 28 28 6250 1 . GLY 29 29 6250 1 . GLN 30 30 6250 1 . PRO 31 31 6250 1 . MET 32 32 6250 1 . THR 33 33 6250 1 . PHE 34 34 6250 1 . ARG 35 35 6250 1 . LEU 36 36 6250 1 . LEU 37 37 6250 1 . LEU 38 38 6250 1 . VAL 39 39 6250 1 . ASP 40 40 6250 1 . THR 41 41 6250 1 . PRO 42 42 6250 1 . GLU 43 43 6250 1 . THR 44 44 6250 1 . LYS 45 45 6250 1 . HIS 46 46 6250 1 . PRO 47 47 6250 1 . LYS 48 48 6250 1 . LYS 49 49 6250 1 . GLY 50 50 6250 1 . VAL 51 51 6250 1 . GLU 52 52 6250 1 . LYS 53 53 6250 1 . TYR 54 54 6250 1 . GLY 55 55 6250 1 . PRO 56 56 6250 1 . GLU 57 57 6250 1 . ALA 58 58 6250 1 . SER 59 59 6250 1 . ALA 60 60 6250 1 . PHE 61 61 6250 1 . THR 62 62 6250 1 . LYS 63 63 6250 1 . LYS 64 64 6250 1 . MET 65 65 6250 1 . VAL 66 66 6250 1 . GLU 67 67 6250 1 . ASN 68 68 6250 1 . ALA 69 69 6250 1 . LYS 70 70 6250 1 . LYS 71 71 6250 1 . ILE 72 72 6250 1 . GLU 73 73 6250 1 . VAL 74 74 6250 1 . GLU 75 75 6250 1 . PHE 76 76 6250 1 . ASP 77 77 6250 1 . LYS 78 78 6250 1 . GLY 79 79 6250 1 . GLN 80 80 6250 1 . ARG 81 81 6250 1 . THR 82 82 6250 1 . ASP 83 83 6250 1 . LYS 84 84 6250 1 . TYR 85 85 6250 1 . GLY 86 86 6250 1 . ARG 87 87 6250 1 . TRP 88 88 6250 1 . LEU 89 89 6250 1 . ALA 90 90 6250 1 . TYR 91 91 6250 1 . ILE 92 92 6250 1 . TYR 93 93 6250 1 . ALA 94 94 6250 1 . ASP 95 95 6250 1 . GLY 96 96 6250 1 . LYS 97 97 6250 1 . MET 98 98 6250 1 . VAL 99 99 6250 1 . ASN 100 100 6250 1 . GLU 101 101 6250 1 . ALA 102 102 6250 1 . LEU 103 103 6250 1 . VAL 104 104 6250 1 . ARG 105 105 6250 1 . GLN 106 106 6250 1 . GLY 107 107 6250 1 . LEU 108 108 6250 1 . ALA 109 109 6250 1 . LYS 110 110 6250 1 . VAL 111 111 6250 1 . ALA 112 112 6250 1 . TYR 113 113 6250 1 . VAL 114 114 6250 1 . TYR 115 115 6250 1 . LYS 116 116 6250 1 . PRO 117 117 6250 1 . ASN 118 118 6250 1 . ASN 119 119 6250 1 . THR 120 120 6250 1 . HIS 121 121 6250 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 6250 _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 $G88W121 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 6250 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 6250 _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 $G88W121 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6250 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6250 _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 G88W121 '[U-95% 13C; U-95% 15N]' . . 1 $G88W121 . . 1 . . mM . . . . 6250 1 2 'deuterated acetate' '[U-99% 2H]' . . . . . . 50 . . mM . . . . 6250 1 3 DSS . . . . . . . 50 . . uM . . . . 6250 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 6250 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 6250 _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 pH 6250 1 temperature 298 0.2 K 6250 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 6250 _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 6250 _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 6250 _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 . . . 6250 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 6250 _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 . . . . . . . . . . . . . . . . 6250 1 2 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6250 1 3 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6250 1 4 HBHA(CBCA)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6250 1 5 HBHA(CBCA)(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6250 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 6250 _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 6250 _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 6250 _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 6250 _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 6250 _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_ #################### # 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 6250 _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 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 6250 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6250 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6250 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 6250 _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 . 6250 1 2 HNCACB 1 $sample_1 . 6250 1 3 CBCA(CO)NH 1 $sample_1 . 6250 1 4 HBHA(CBCA)NH 1 $sample_1 . 6250 1 5 HBHA(CBCA)(CO)NH 1 $sample_1 . 6250 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 8.64 0.01 . 1 . . . . . . . . 6250 1 2 . 1 1 2 2 THR N N 15 115.7 0.2 . 1 . . . . . . . . 6250 1 3 . 1 1 2 2 THR CA C 13 61.9 0.5 . 1 . . . . . . . . 6250 1 4 . 1 1 2 2 THR CB C 13 69.8 0.5 . 1 . . . . . . . . 6250 1 5 . 1 1 2 2 THR HA H 1 4.4 0.05 . 1 . . . . . . . . 6250 1 6 . 1 1 2 2 THR HB H 1 4.19 0.05 . 1 . . . . . . . . 6250 1 7 . 1 1 3 3 SER H H 1 8.55 0.01 . 1 . . . . . . . . 6250 1 8 . 1 1 3 3 SER N N 15 119.4 0.2 . 1 . . . . . . . . 6250 1 9 . 1 1 3 3 SER CA C 13 58 0.5 . 1 . . . . . . . . 6250 1 10 . 1 1 3 3 SER CB C 13 63.9 0.5 . 1 . . . . . . . . 6250 1 11 . 1 1 3 3 SER HA H 1 4.56 0.05 . 1 . . . . . . . . 6250 1 12 . 1 1 3 3 SER HB2 H 1 3.89 0.05 . 1 . . . . . . . . 6250 1 13 . 1 1 3 3 SER HB3 H 1 3.89 0.05 . 1 . . . . . . . . 6250 1 14 . 1 1 4 4 THR H H 1 8.34 0.01 . 1 . . . . . . . . 6250 1 15 . 1 1 4 4 THR N N 15 117.5 0.2 . 1 . . . . . . . . 6250 1 16 . 1 1 4 4 THR CA C 13 61.9 0.5 . 1 . . . . . . . . 6250 1 17 . 1 1 4 4 THR CB C 13 69.5 0.5 . 1 . . . . . . . . 6250 1 18 . 1 1 5 5 LYS H H 1 8.32 0.01 . 1 . . . . . . . . 6250 1 19 . 1 1 5 5 LYS N N 15 124.7 0.2 . 1 . . . . . . . . 6250 1 20 . 1 1 5 5 LYS CA C 13 56.3 0.5 . 1 . . . . . . . . 6250 1 21 . 1 1 5 5 LYS CB C 13 33.1 0.5 . 1 . . . . . . . . 6250 1 22 . 1 1 5 5 LYS HA H 1 4.3 0.05 . 1 . . . . . . . . 6250 1 23 . 1 1 5 5 LYS HB2 H 1 1.76 0.05 . 1 . . . . . . . . 6250 1 24 . 1 1 5 5 LYS HB3 H 1 1.76 0.05 . 1 . . . . . . . . 6250 1 25 . 1 1 6 6 LYS H H 1 8.35 0.01 . 1 . . . . . . . . 6250 1 26 . 1 1 6 6 LYS N N 15 123.7 0.2 . 1 . . . . . . . . 6250 1 27 . 1 1 6 6 LYS CA C 13 56.2 0.5 . 1 . . . . . . . . 6250 1 28 . 1 1 6 6 LYS CB C 13 33 0.5 . 1 . . . . . . . . 6250 1 29 . 1 1 6 6 LYS HA H 1 4.26 0.05 . 1 . . . . . . . . 6250 1 30 . 1 1 6 6 LYS HB2 H 1 1.75 0.05 . 1 . . . . . . . . 6250 1 31 . 1 1 6 6 LYS HB3 H 1 1.75 0.05 . 1 . . . . . . . . 6250 1 32 . 1 1 7 7 LEU H H 1 8.21 0.01 . 1 . . . . . . . . 6250 1 33 . 1 1 7 7 LEU N N 15 123.6 0.2 . 1 . . . . . . . . 6250 1 34 . 1 1 7 7 LEU CA C 13 54.2 0.5 . 1 . . . . . . . . 6250 1 35 . 1 1 7 7 LEU CB C 13 42.9 0.5 . 1 . . . . . . . . 6250 1 36 . 1 1 7 7 LEU HA H 1 4.43 0.05 . 1 . . . . . . . . 6250 1 37 . 1 1 7 7 LEU HB2 H 1 1.39 0.05 . 2 . . . . . . . . 6250 1 38 . 1 1 7 7 LEU HB3 H 1 1.68 0.05 . 2 . . . . . . . . 6250 1 39 . 1 1 8 8 HIS H H 1 8.59 0.01 . 1 . . . . . . . . 6250 1 40 . 1 1 8 8 HIS N N 15 118.7 0.2 . 1 . . . . . . . . 6250 1 41 . 1 1 8 8 HIS CA C 13 54.5 0.5 . 1 . . . . . . . . 6250 1 42 . 1 1 8 8 HIS CB C 13 30.6 0.5 . 1 . . . . . . . . 6250 1 43 . 1 1 8 8 HIS HA H 1 4.84 0.05 . 1 . . . . . . . . 6250 1 44 . 1 1 8 8 HIS HB2 H 1 3.23 0.05 . 2 . . . . . . . . 6250 1 45 . 1 1 8 8 HIS HB3 H 1 3.1 0.05 . 2 . . . . . . . . 6250 1 46 . 1 1 9 9 LYS H H 1 8.46 0.01 . 1 . . . . . . . . 6250 1 47 . 1 1 9 9 LYS N N 15 123.5 0.2 . 1 . . . . . . . . 6250 1 48 . 1 1 9 9 LYS CA C 13 56.8 0.5 . 1 . . . . . . . . 6250 1 49 . 1 1 9 9 LYS CB C 13 33.7 0.5 . 1 . . . . . . . . 6250 1 50 . 1 1 9 9 LYS HA H 1 4.4 0.05 . 1 . . . . . . . . 6250 1 51 . 1 1 9 9 LYS HB2 H 1 1.45 0.05 . 1 . . . . . . . . 6250 1 52 . 1 1 9 9 LYS HB3 H 1 1.45 0.05 . 1 . . . . . . . . 6250 1 53 . 1 1 10 10 GLU H H 1 9.02 0.01 . 1 . . . . . . . . 6250 1 54 . 1 1 10 10 GLU N N 15 123.9 0.2 . 1 . . . . . . . . 6250 1 55 . 1 1 10 10 GLU CA C 13 53.7 0.5 . 1 . . . . . . . . 6250 1 56 . 1 1 10 10 GLU CB C 13 33.8 0.5 . 1 . . . . . . . . 6250 1 57 . 1 1 10 10 GLU HA H 1 5.03 0.05 . 1 . . . . . . . . 6250 1 58 . 1 1 12 12 ALA H H 1 8.12 0.01 . 1 . . . . . . . . 6250 1 59 . 1 1 12 12 ALA N N 15 120.9 0.2 . 1 . . . . . . . . 6250 1 60 . 1 1 12 12 ALA CA C 13 51.5 0.5 . 1 . . . . . . . . 6250 1 61 . 1 1 12 12 ALA CB C 13 24.6 0.5 . 1 . . . . . . . . 6250 1 62 . 1 1 12 12 ALA HA H 1 4.97 0.05 . 1 . . . . . . . . 6250 1 63 . 1 1 12 12 ALA HB1 H 1 1.36 0.05 . 1 . . . . . . . . 6250 1 64 . 1 1 12 12 ALA HB2 H 1 1.36 0.05 . 1 . . . . . . . . 6250 1 65 . 1 1 12 12 ALA HB3 H 1 1.36 0.05 . 1 . . . . . . . . 6250 1 66 . 1 1 13 13 THR H H 1 8.21 0.01 . 1 . . . . . . . . 6250 1 67 . 1 1 13 13 THR N N 15 110 0.2 . 1 . . . . . . . . 6250 1 68 . 1 1 13 13 THR CA C 13 60.5 0.5 . 1 . . . . . . . . 6250 1 69 . 1 1 13 13 THR CB C 13 71.3 0.5 . 1 . . . . . . . . 6250 1 70 . 1 1 13 13 THR HA H 1 4.7 0.05 . 1 . . . . . . . . 6250 1 71 . 1 1 13 13 THR HB H 1 4.1 0.05 . 1 . . . . . . . . 6250 1 72 . 1 1 14 14 LEU H H 1 9.21 0.01 . 1 . . . . . . . . 6250 1 73 . 1 1 14 14 LEU N N 15 126 0.2 . 1 . . . . . . . . 6250 1 74 . 1 1 14 14 LEU CA C 13 56.8 0.5 . 1 . . . . . . . . 6250 1 75 . 1 1 14 14 LEU CB C 13 43 0.5 . 1 . . . . . . . . 6250 1 76 . 1 1 14 14 LEU HA H 1 4.14 0.05 . 1 . . . . . . . . 6250 1 77 . 1 1 14 14 LEU HB2 H 1 1.14 0.05 . 1 . . . . . . . . 6250 1 78 . 1 1 14 14 LEU HB3 H 1 1.13 0.05 . 1 . . . . . . . . 6250 1 79 . 1 1 15 15 ILE H H 1 8.47 0.01 . 1 . . . . . . . . 6250 1 80 . 1 1 15 15 ILE N N 15 126.2 0.2 . 1 . . . . . . . . 6250 1 81 . 1 1 15 15 ILE CB C 13 38.9 0.5 . 1 . . . . . . . . 6250 1 82 . 1 1 15 15 ILE CA C 13 64 0.5 . 1 . . . . . . . . 6250 1 83 . 1 1 15 15 ILE HA H 1 4.21 0.05 . 1 . . . . . . . . 6250 1 84 . 1 1 15 15 ILE HB H 1 1.34 0.05 . 1 . . . . . . . . 6250 1 85 . 1 1 16 16 LYS H H 1 8.05 0.01 . 1 . . . . . . . . 6250 1 86 . 1 1 16 16 LYS N N 15 115.6 0.2 . 1 . . . . . . . . 6250 1 87 . 1 1 16 16 LYS CA C 13 56.4 0.5 . 1 . . . . . . . . 6250 1 88 . 1 1 16 16 LYS CB C 13 36.1 0.5 . 1 . . . . . . . . 6250 1 89 . 1 1 16 16 LYS HA H 1 4.37 0.05 . 1 . . . . . . . . 6250 1 90 . 1 1 16 16 LYS HB2 H 1 1.81 0.05 . 1 . . . . . . . . 6250 1 91 . 1 1 16 16 LYS HB3 H 1 1.81 0.05 . 1 . . . . . . . . 6250 1 92 . 1 1 17 17 ALA H H 1 9.6 0.01 . 1 . . . . . . . . 6250 1 93 . 1 1 17 17 ALA N N 15 131.1 0.2 . 1 . . . . . . . . 6250 1 94 . 1 1 17 17 ALA CA C 13 52.1 0.5 . 1 . . . . . . . . 6250 1 95 . 1 1 17 17 ALA CB C 13 18.1 0.5 . 1 . . . . . . . . 6250 1 96 . 1 1 17 17 ALA HA H 1 4.52 0.05 . 1 . . . . . . . . 6250 1 97 . 1 1 17 17 ALA HB1 H 1 1.39 0.05 . 1 . . . . . . . . 6250 1 98 . 1 1 17 17 ALA HB2 H 1 1.39 0.05 . 1 . . . . . . . . 6250 1 99 . 1 1 17 17 ALA HB3 H 1 1.39 0.05 . 1 . . . . . . . . 6250 1 100 . 1 1 18 18 ILE H H 1 8.08 0.01 . 1 . . . . . . . . 6250 1 101 . 1 1 18 18 ILE N N 15 125.8 0.2 . 1 . . . . . . . . 6250 1 102 . 1 1 18 18 ILE CB C 13 38.3 0.5 . 1 . . . . . . . . 6250 1 103 . 1 1 18 18 ILE CA C 13 63.2 0.5 . 1 . . . . . . . . 6250 1 104 . 1 1 18 18 ILE HA H 1 3.98 0.05 . 1 . . . . . . . . 6250 1 105 . 1 1 18 18 ILE HB H 1 1.54 0.05 . 1 . . . . . . . . 6250 1 106 . 1 1 19 19 ASP H H 1 8.24 0.01 . 1 . . . . . . . . 6250 1 107 . 1 1 19 19 ASP N N 15 118.8 0.2 . 1 . . . . . . . . 6250 1 108 . 1 1 19 19 ASP CA C 13 53.9 0.5 . 1 . . . . . . . . 6250 1 109 . 1 1 19 19 ASP CB C 13 39.8 0.5 . 1 . . . . . . . . 6250 1 110 . 1 1 19 19 ASP HA H 1 4.52 0.05 . 1 . . . . . . . . 6250 1 111 . 1 1 20 20 GLY H H 1 8.58 0.01 . 1 . . . . . . . . 6250 1 112 . 1 1 20 20 GLY N N 15 104.4 0.2 . 1 . . . . . . . . 6250 1 113 . 1 1 20 20 GLY CA C 13 47.4 0.5 . 1 . . . . . . . . 6250 1 114 . 1 1 20 20 GLY HA2 H 1 3.68 0.05 . 2 . . . . . . . . 6250 1 115 . 1 1 20 20 GLY HA3 H 1 3.52 0.05 . 2 . . . . . . . . 6250 1 116 . 1 1 21 21 ASP H H 1 7.99 0.01 . 1 . . . . . . . . 6250 1 117 . 1 1 21 21 ASP N N 15 112.9 0.2 . 1 . . . . . . . . 6250 1 118 . 1 1 21 21 ASP CA C 13 52 0.5 . 1 . . . . . . . . 6250 1 119 . 1 1 21 21 ASP CB C 13 42.1 0.5 . 1 . . . . . . . . 6250 1 120 . 1 1 21 21 ASP HA H 1 4.92 0.05 . 1 . . . . . . . . 6250 1 121 . 1 1 21 21 ASP HB2 H 1 2.91 0.05 . 2 . . . . . . . . 6250 1 122 . 1 1 21 21 ASP HB3 H 1 2.3 0.05 . 2 . . . . . . . . 6250 1 123 . 1 1 22 22 THR H H 1 7.6 0.01 . 1 . . . . . . . . 6250 1 124 . 1 1 22 22 THR N N 15 116.5 0.2 . 1 . . . . . . . . 6250 1 125 . 1 1 22 22 THR CA C 13 62.3 0.5 . 1 . . . . . . . . 6250 1 126 . 1 1 22 22 THR CB C 13 69.6 0.5 . 1 . . . . . . . . 6250 1 127 . 1 1 22 22 THR HA H 1 5.45 0.05 . 1 . . . . . . . . 6250 1 128 . 1 1 22 22 THR HB H 1 3.76 0.05 . 1 . . . . . . . . 6250 1 129 . 1 1 23 23 VAL H H 1 9.13 0.01 . 1 . . . . . . . . 6250 1 130 . 1 1 23 23 VAL N N 15 122.8 0.2 . 1 . . . . . . . . 6250 1 131 . 1 1 23 23 VAL CA C 13 60.5 0.5 . 1 . . . . . . . . 6250 1 132 . 1 1 23 23 VAL CB C 13 36.3 0.5 . 1 . . . . . . . . 6250 1 133 . 1 1 23 23 VAL HA H 1 4.57 0.05 . 1 . . . . . . . . 6250 1 134 . 1 1 23 23 VAL HB H 1 1.86 0.05 . 1 . . . . . . . . 6250 1 135 . 1 1 24 24 LYS H H 1 9.35 0.01 . 1 . . . . . . . . 6250 1 136 . 1 1 24 24 LYS N N 15 128.2 0.2 . 1 . . . . . . . . 6250 1 137 . 1 1 24 24 LYS CA C 13 55.6 0.5 . 1 . . . . . . . . 6250 1 138 . 1 1 24 24 LYS CB C 13 34.9 0.5 . 1 . . . . . . . . 6250 1 139 . 1 1 24 24 LYS HA H 1 5.45 0.05 . 1 . . . . . . . . 6250 1 140 . 1 1 25 25 LEU H H 1 9.46 0.01 . 1 . . . . . . . . 6250 1 141 . 1 1 25 25 LEU N N 15 127.5 0.2 . 1 . . . . . . . . 6250 1 142 . 1 1 25 25 LEU CA C 13 53 0.5 . 1 . . . . . . . . 6250 1 143 . 1 1 25 25 LEU CB C 13 45.9 0.5 . 1 . . . . . . . . 6250 1 144 . 1 1 25 25 LEU HA H 1 5.22 0.05 . 1 . . . . . . . . 6250 1 145 . 1 1 26 26 MET H H 1 9.63 0.01 . 1 . . . . . . . . 6250 1 146 . 1 1 26 26 MET N N 15 122.8 0.2 . 1 . . . . . . . . 6250 1 147 . 1 1 26 26 MET CA C 13 54.4 0.5 . 1 . . . . . . . . 6250 1 148 . 1 1 26 26 MET CB C 13 31.8 0.5 . 1 . . . . . . . . 6250 1 149 . 1 1 26 26 MET HA H 1 4.84 0.05 . 1 . . . . . . . . 6250 1 150 . 1 1 27 27 TYR H H 1 9.08 0.01 . 1 . . . . . . . . 6250 1 151 . 1 1 27 27 TYR N N 15 131.2 0.2 . 1 . . . . . . . . 6250 1 152 . 1 1 27 27 TYR CA C 13 56.8 0.5 . 1 . . . . . . . . 6250 1 153 . 1 1 27 27 TYR CB C 13 41 0.5 . 1 . . . . . . . . 6250 1 154 . 1 1 27 27 TYR HA H 1 4.93 0.05 . 1 . . . . . . . . 6250 1 155 . 1 1 27 27 TYR HB2 H 1 3.2 0.05 . 2 . . . . . . . . 6250 1 156 . 1 1 27 27 TYR HB3 H 1 2.68 0.05 . 2 . . . . . . . . 6250 1 157 . 1 1 28 28 LYS H H 1 9.3 0.01 . 1 . . . . . . . . 6250 1 158 . 1 1 28 28 LYS N N 15 128.1 0.2 . 1 . . . . . . . . 6250 1 159 . 1 1 28 28 LYS CA C 13 56.9 0.5 . 1 . . . . . . . . 6250 1 160 . 1 1 28 28 LYS CB C 13 30.1 0.5 . 1 . . . . . . . . 6250 1 161 . 1 1 28 28 LYS HA H 1 3.55 0.05 . 1 . . . . . . . . 6250 1 162 . 1 1 29 29 GLY H H 1 8.4 0.01 . 1 . . . . . . . . 6250 1 163 . 1 1 29 29 GLY N N 15 102.8 0.2 . 1 . . . . . . . . 6250 1 164 . 1 1 29 29 GLY CA C 13 45.5 0.5 . 1 . . . . . . . . 6250 1 165 . 1 1 29 29 GLY HA2 H 1 4.1 0.05 . 2 . . . . . . . . 6250 1 166 . 1 1 29 29 GLY HA3 H 1 3.53 0.05 . 2 . . . . . . . . 6250 1 167 . 1 1 30 30 GLN H H 1 7.98 0.01 . 1 . . . . . . . . 6250 1 168 . 1 1 30 30 GLN N N 15 120.6 0.2 . 1 . . . . . . . . 6250 1 169 . 1 1 30 30 GLN CA C 13 52 0.5 . 1 . . . . . . . . 6250 1 170 . 1 1 30 30 GLN CB C 13 31.4 0.5 . 1 . . . . . . . . 6250 1 171 . 1 1 30 30 GLN HA H 1 5.01 0.05 . 1 . . . . . . . . 6250 1 172 . 1 1 30 30 GLN HB2 H 1 2.11 0.05 . 1 . . . . . . . . 6250 1 173 . 1 1 30 30 GLN HB3 H 1 2.11 0.05 . 1 . . . . . . . . 6250 1 174 . 1 1 32 32 MET H H 1 9.44 0.01 . 1 . . . . . . . . 6250 1 175 . 1 1 32 32 MET N N 15 126.9 0.2 . 1 . . . . . . . . 6250 1 176 . 1 1 32 32 MET CA C 13 55.3 0.5 . 1 . . . . . . . . 6250 1 177 . 1 1 32 32 MET CB C 13 38.8 0.5 . 1 . . . . . . . . 6250 1 178 . 1 1 32 32 MET HA H 1 4.51 0.05 . 1 . . . . . . . . 6250 1 179 . 1 1 32 32 MET HB2 H 1 1.62 0.05 . 2 . . . . . . . . 6250 1 180 . 1 1 32 32 MET HB3 H 1 1.26 0.05 . 2 . . . . . . . . 6250 1 181 . 1 1 33 33 THR H H 1 9.01 0.01 . 1 . . . . . . . . 6250 1 182 . 1 1 33 33 THR N N 15 120 0.2 . 1 . . . . . . . . 6250 1 183 . 1 1 33 33 THR CA C 13 63 0.5 . 1 . . . . . . . . 6250 1 184 . 1 1 33 33 THR CB C 13 67.9 0.5 . 1 . . . . . . . . 6250 1 185 . 1 1 33 33 THR HA H 1 4.55 0.05 . 1 . . . . . . . . 6250 1 186 . 1 1 33 33 THR HB H 1 3.94 0.05 . 1 . . . . . . . . 6250 1 187 . 1 1 34 34 PHE H H 1 9.06 0.01 . 1 . . . . . . . . 6250 1 188 . 1 1 34 34 PHE N N 15 126 0.2 . 1 . . . . . . . . 6250 1 189 . 1 1 34 34 PHE CA C 13 56.7 0.5 . 1 . . . . . . . . 6250 1 190 . 1 1 34 34 PHE CB C 13 42 0.5 . 1 . . . . . . . . 6250 1 191 . 1 1 34 34 PHE HA H 1 5.4 0.05 . 1 . . . . . . . . 6250 1 192 . 1 1 34 34 PHE HB2 H 1 2.68 0.05 . 1 . . . . . . . . 6250 1 193 . 1 1 34 34 PHE HB3 H 1 2.68 0.05 . 1 . . . . . . . . 6250 1 194 . 1 1 35 35 ARG H H 1 9.19 0.01 . 1 . . . . . . . . 6250 1 195 . 1 1 35 35 ARG N N 15 123.4 0.2 . 1 . . . . . . . . 6250 1 196 . 1 1 35 35 ARG CA C 13 52.4 0.5 . 1 . . . . . . . . 6250 1 197 . 1 1 35 35 ARG CB C 13 33.5 0.5 . 1 . . . . . . . . 6250 1 198 . 1 1 35 35 ARG HA H 1 5.48 0.05 . 1 . . . . . . . . 6250 1 199 . 1 1 36 36 LEU H H 1 8.94 0.01 . 1 . . . . . . . . 6250 1 200 . 1 1 36 36 LEU N N 15 125.3 0.2 . 1 . . . . . . . . 6250 1 201 . 1 1 36 36 LEU CA C 13 55.4 0.5 . 1 . . . . . . . . 6250 1 202 . 1 1 40 40 ASP H H 1 8.46 0.01 . 1 . . . . . . . . 6250 1 203 . 1 1 40 40 ASP N N 15 124 0.2 . 1 . . . . . . . . 6250 1 204 . 1 1 40 40 ASP CB C 13 41.6 0.5 . 1 . . . . . . . . 6250 1 205 . 1 1 40 40 ASP CA C 13 54.3 0.5 . 1 . . . . . . . . 6250 1 206 . 1 1 41 41 THR H H 1 8.15 0.01 . 1 . . . . . . . . 6250 1 207 . 1 1 41 41 THR N N 15 115.6 0.2 . 1 . . . . . . . . 6250 1 208 . 1 1 41 41 THR CA C 13 59.5 0.5 . 1 . . . . . . . . 6250 1 209 . 1 1 41 41 THR CB C 13 69.4 0.5 . 1 . . . . . . . . 6250 1 210 . 1 1 43 43 GLU H H 1 8.47 0.01 . 1 . . . . . . . . 6250 1 211 . 1 1 43 43 GLU N N 15 119.1 0.2 . 1 . . . . . . . . 6250 1 212 . 1 1 43 43 GLU CA C 13 57 0.5 . 1 . . . . . . . . 6250 1 213 . 1 1 43 43 GLU CB C 13 29.7 0.5 . 1 . . . . . . . . 6250 1 214 . 1 1 43 43 GLU HA H 1 4.28 0.05 . 1 . . . . . . . . 6250 1 215 . 1 1 43 43 GLU HB2 H 1 2.06 0.05 . 1 . . . . . . . . 6250 1 216 . 1 1 43 43 GLU HB3 H 1 2.06 0.05 . 1 . . . . . . . . 6250 1 217 . 1 1 44 44 THR H H 1 7.94 0.01 . 1 . . . . . . . . 6250 1 218 . 1 1 44 44 THR N N 15 115.3 0.2 . 1 . . . . . . . . 6250 1 219 . 1 1 44 44 THR CA C 13 61.9 0.5 . 1 . . . . . . . . 6250 1 220 . 1 1 44 44 THR CB C 13 69.5 0.5 . 1 . . . . . . . . 6250 1 221 . 1 1 44 44 THR HA H 1 4.28 0.05 . 1 . . . . . . . . 6250 1 222 . 1 1 45 45 LYS H H 1 8.21 0.01 . 1 . . . . . . . . 6250 1 223 . 1 1 45 45 LYS N N 15 123.4 0.2 . 1 . . . . . . . . 6250 1 224 . 1 1 45 45 LYS CA C 13 56.2 0.5 . 1 . . . . . . . . 6250 1 225 . 1 1 45 45 LYS CB C 13 32.9 0.5 . 1 . . . . . . . . 6250 1 226 . 1 1 45 45 LYS HA H 1 4.23 0.05 . 1 . . . . . . . . 6250 1 227 . 1 1 45 45 LYS HB2 H 1 1.68 0.05 . 1 . . . . . . . . 6250 1 228 . 1 1 45 45 LYS HB3 H 1 1.68 0.05 . 1 . . . . . . . . 6250 1 229 . 1 1 46 46 HIS H H 1 8.37 0.01 . 1 . . . . . . . . 6250 1 230 . 1 1 46 46 HIS N N 15 119.3 0.2 . 1 . . . . . . . . 6250 1 231 . 1 1 46 46 HIS CA C 13 53.2 0.5 . 1 . . . . . . . . 6250 1 232 . 1 1 46 46 HIS CB C 13 28.8 0.5 . 1 . . . . . . . . 6250 1 233 . 1 1 46 46 HIS HA H 1 4.98 0.05 . 1 . . . . . . . . 6250 1 234 . 1 1 48 48 LYS H H 1 8.55 0.01 . 1 . . . . . . . . 6250 1 235 . 1 1 48 48 LYS N N 15 122.6 0.2 . 1 . . . . . . . . 6250 1 236 . 1 1 48 48 LYS CA C 13 56.3 0.5 . 1 . . . . . . . . 6250 1 237 . 1 1 48 48 LYS CB C 13 33.3 0.5 . 1 . . . . . . . . 6250 1 238 . 1 1 48 48 LYS HA H 1 4.29 0.05 . 1 . . . . . . . . 6250 1 239 . 1 1 48 48 LYS HB2 H 1 1.78 0.05 . 1 . . . . . . . . 6250 1 240 . 1 1 48 48 LYS HB3 H 1 1.78 0.05 . 1 . . . . . . . . 6250 1 241 . 1 1 49 49 LYS H H 1 8.36 0.01 . 1 . . . . . . . . 6250 1 242 . 1 1 49 49 LYS N N 15 122.5 0.2 . 1 . . . . . . . . 6250 1 243 . 1 1 49 49 LYS CA C 13 56.3 0.5 . 1 . . . . . . . . 6250 1 244 . 1 1 49 49 LYS CB C 13 33.3 0.5 . 1 . . . . . . . . 6250 1 245 . 1 1 49 49 LYS HA H 1 4.33 0.05 . 1 . . . . . . . . 6250 1 246 . 1 1 49 49 LYS HB2 H 1 1.78 0.05 . 1 . . . . . . . . 6250 1 247 . 1 1 49 49 LYS HB3 H 1 1.78 0.05 . 1 . . . . . . . . 6250 1 248 . 1 1 50 50 GLY H H 1 8.48 0.01 . 1 . . . . . . . . 6250 1 249 . 1 1 50 50 GLY N N 15 111.3 0.2 . 1 . . . . . . . . 6250 1 250 . 1 1 50 50 GLY CA C 13 45.3 0.5 . 1 . . . . . . . . 6250 1 251 . 1 1 50 50 GLY HA2 H 1 3.97 0.05 . 1 . . . . . . . . 6250 1 252 . 1 1 50 50 GLY HA3 H 1 3.97 0.05 . 1 . . . . . . . . 6250 1 253 . 1 1 51 51 VAL H H 1 8.06 0.01 . 1 . . . . . . . . 6250 1 254 . 1 1 51 51 VAL N N 15 119.6 0.2 . 1 . . . . . . . . 6250 1 255 . 1 1 51 51 VAL CA C 13 62.2 0.5 . 1 . . . . . . . . 6250 1 256 . 1 1 51 51 VAL CB C 13 32.8 0.5 . 1 . . . . . . . . 6250 1 257 . 1 1 51 51 VAL HA H 1 4.12 0.05 . 1 . . . . . . . . 6250 1 258 . 1 1 51 51 VAL HB H 1 2.08 0.05 . 1 . . . . . . . . 6250 1 259 . 1 1 52 52 GLU H H 1 8.54 0.01 . 1 . . . . . . . . 6250 1 260 . 1 1 52 52 GLU N N 15 125.3 0.2 . 1 . . . . . . . . 6250 1 261 . 1 1 52 52 GLU CA C 13 56.4 0.5 . 1 . . . . . . . . 6250 1 262 . 1 1 52 52 GLU CB C 13 30.1 0.5 . 1 . . . . . . . . 6250 1 263 . 1 1 52 52 GLU HA H 1 4.24 0.05 . 1 . . . . . . . . 6250 1 264 . 1 1 52 52 GLU HB2 H 1 1.92 0.05 . 1 . . . . . . . . 6250 1 265 . 1 1 52 52 GLU HB3 H 1 1.92 0.05 . 1 . . . . . . . . 6250 1 266 . 1 1 53 53 LYS H H 1 8.25 0.01 . 1 . . . . . . . . 6250 1 267 . 1 1 53 53 LYS N N 15 122.6 0.2 . 1 . . . . . . . . 6250 1 268 . 1 1 53 53 LYS CA C 13 56.3 0.5 . 1 . . . . . . . . 6250 1 269 . 1 1 53 53 LYS CB C 13 33.3 0.5 . 1 . . . . . . . . 6250 1 270 . 1 1 53 53 LYS HB2 H 1 1.63 0.05 . 1 . . . . . . . . 6250 1 271 . 1 1 53 53 LYS HB3 H 1 1.63 0.05 . 1 . . . . . . . . 6250 1 272 . 1 1 53 53 LYS HA H 1 4.23 0.05 . 1 . . . . . . . . 6250 1 273 . 1 1 54 54 TYR H H 1 8.22 0.01 . 1 . . . . . . . . 6250 1 274 . 1 1 54 54 TYR N N 15 121.3 0.2 . 1 . . . . . . . . 6250 1 275 . 1 1 54 54 TYR CA C 13 57.4 0.5 . 1 . . . . . . . . 6250 1 276 . 1 1 54 54 TYR CB C 13 39.1 0.5 . 1 . . . . . . . . 6250 1 277 . 1 1 54 54 TYR HA H 1 4.63 0.05 . 1 . . . . . . . . 6250 1 278 . 1 1 55 55 GLY H H 1 8.49 0.01 . 1 . . . . . . . . 6250 1 279 . 1 1 55 55 GLY N N 15 110.3 0.2 . 1 . . . . . . . . 6250 1 280 . 1 1 55 55 GLY CA C 13 45.3 0.5 . 1 . . . . . . . . 6250 1 281 . 1 1 55 55 GLY HA2 H 1 3.94 0.05 . 1 . . . . . . . . 6250 1 282 . 1 1 55 55 GLY HA3 H 1 3.94 0.05 . 1 . . . . . . . . 6250 1 283 . 1 1 57 57 GLU H H 1 8.67 0.01 . 1 . . . . . . . . 6250 1 284 . 1 1 57 57 GLU N N 15 120.9 0.2 . 1 . . . . . . . . 6250 1 285 . 1 1 57 57 GLU CA C 13 56.8 0.5 . 1 . . . . . . . . 6250 1 286 . 1 1 57 57 GLU CB C 13 29.5 0.5 . 1 . . . . . . . . 6250 1 287 . 1 1 57 57 GLU HA H 1 4.24 0.05 . 1 . . . . . . . . 6250 1 288 . 1 1 57 57 GLU HB2 H 1 1.98 0.05 . 1 . . . . . . . . 6250 1 289 . 1 1 57 57 GLU HB3 H 1 1.98 0.05 . 1 . . . . . . . . 6250 1 290 . 1 1 58 58 ALA H H 1 8.22 0.01 . 1 . . . . . . . . 6250 1 291 . 1 1 58 58 ALA N N 15 125.3 0.2 . 1 . . . . . . . . 6250 1 292 . 1 1 58 58 ALA CA C 13 53 0.5 . 1 . . . . . . . . 6250 1 293 . 1 1 58 58 ALA CB C 13 19.1 0.5 . 1 . . . . . . . . 6250 1 294 . 1 1 58 58 ALA HB1 H 1 1.39 0.05 . 1 . . . . . . . . 6250 1 295 . 1 1 58 58 ALA HB2 H 1 1.39 0.05 . 1 . . . . . . . . 6250 1 296 . 1 1 58 58 ALA HB3 H 1 1.39 0.05 . 1 . . . . . . . . 6250 1 297 . 1 1 60 60 ALA H H 1 7.99 0.01 . 1 . . . . . . . . 6250 1 298 . 1 1 60 60 ALA N N 15 123.3 0.2 . 1 . . . . . . . . 6250 1 299 . 1 1 60 60 ALA CA C 13 54.8 0.5 . 1 . . . . . . . . 6250 1 300 . 1 1 60 60 ALA CB C 13 18.5 0.5 . 1 . . . . . . . . 6250 1 301 . 1 1 60 60 ALA HA H 1 4.07 0.05 . 1 . . . . . . . . 6250 1 302 . 1 1 60 60 ALA HB1 H 1 1.49 0.05 . 1 . . . . . . . . 6250 1 303 . 1 1 60 60 ALA HB2 H 1 1.49 0.05 . 1 . . . . . . . . 6250 1 304 . 1 1 60 60 ALA HB3 H 1 1.49 0.05 . 1 . . . . . . . . 6250 1 305 . 1 1 62 62 THR H H 1 8.68 0.01 . 1 . . . . . . . . 6250 1 306 . 1 1 62 62 THR N N 15 119.7 0.2 . 1 . . . . . . . . 6250 1 307 . 1 1 62 62 THR CA C 13 67.2 0.5 . 1 . . . . . . . . 6250 1 308 . 1 1 62 62 THR CB C 13 68.4 0.5 . 1 . . . . . . . . 6250 1 309 . 1 1 62 62 THR HA H 1 4.06 0.05 . 1 . . . . . . . . 6250 1 310 . 1 1 63 63 LYS H H 1 7.71 0.01 . 1 . . . . . . . . 6250 1 311 . 1 1 63 63 LYS N N 15 120.5 0.2 . 1 . . . . . . . . 6250 1 312 . 1 1 63 63 LYS CA C 13 60.1 0.5 . 1 . . . . . . . . 6250 1 313 . 1 1 63 63 LYS CB C 13 33.3 0.5 . 1 . . . . . . . . 6250 1 314 . 1 1 63 63 LYS HB2 H 1 1.74 0.05 . 1 . . . . . . . . 6250 1 315 . 1 1 63 63 LYS HB3 H 1 1.74 0.05 . 1 . . . . . . . . 6250 1 316 . 1 1 63 63 LYS HA H 1 3.56 0.05 . 1 . . . . . . . . 6250 1 317 . 1 1 64 64 LYS H H 1 7.66 0.01 . 1 . . . . . . . . 6250 1 318 . 1 1 64 64 LYS N N 15 117.7 0.2 . 1 . . . . . . . . 6250 1 319 . 1 1 64 64 LYS CA C 13 59.1 0.5 . 1 . . . . . . . . 6250 1 320 . 1 1 64 64 LYS CB C 13 32.1 0.5 . 1 . . . . . . . . 6250 1 321 . 1 1 64 64 LYS HA H 1 3.94 0.05 . 1 . . . . . . . . 6250 1 322 . 1 1 64 64 LYS HB2 H 1 1.74 0.05 . 1 . . . . . . . . 6250 1 323 . 1 1 64 64 LYS HB3 H 1 1.74 0.05 . 1 . . . . . . . . 6250 1 324 . 1 1 65 65 MET H H 1 7.74 0.01 . 1 . . . . . . . . 6250 1 325 . 1 1 65 65 MET N N 15 117.1 0.2 . 1 . . . . . . . . 6250 1 326 . 1 1 65 65 MET CA C 13 59.3 0.5 . 1 . . . . . . . . 6250 1 327 . 1 1 65 65 MET CB C 13 32.1 0.5 . 1 . . . . . . . . 6250 1 328 . 1 1 66 66 VAL H H 1 8.06 0.01 . 1 . . . . . . . . 6250 1 329 . 1 1 66 66 VAL N N 15 109.9 0.2 . 1 . . . . . . . . 6250 1 330 . 1 1 67 67 GLU H H 1 8.61 0.01 . 1 . . . . . . . . 6250 1 331 . 1 1 67 67 GLU N N 15 121.1 0.2 . 1 . . . . . . . . 6250 1 332 . 1 1 67 67 GLU CA C 13 59.1 0.5 . 1 . . . . . . . . 6250 1 333 . 1 1 67 67 GLU CB C 13 29.2 0.5 . 1 . . . . . . . . 6250 1 334 . 1 1 67 67 GLU HA H 1 3.93 0.05 . 1 . . . . . . . . 6250 1 335 . 1 1 68 68 ASN H H 1 7.48 0.01 . 1 . . . . . . . . 6250 1 336 . 1 1 68 68 ASN N N 15 114 0.2 . 1 . . . . . . . . 6250 1 337 . 1 1 68 68 ASN CA C 13 53.3 0.5 . 1 . . . . . . . . 6250 1 338 . 1 1 68 68 ASN CB C 13 39.2 0.5 . 1 . . . . . . . . 6250 1 339 . 1 1 68 68 ASN HA H 1 4.68 0.05 . 1 . . . . . . . . 6250 1 340 . 1 1 68 68 ASN HB2 H 1 2.79 0.05 . 1 . . . . . . . . 6250 1 341 . 1 1 68 68 ASN HB3 H 1 2.79 0.05 . 1 . . . . . . . . 6250 1 342 . 1 1 69 69 ALA H H 1 6.76 0.01 . 1 . . . . . . . . 6250 1 343 . 1 1 69 69 ALA N N 15 122.2 0.2 . 1 . . . . . . . . 6250 1 344 . 1 1 69 69 ALA CA C 13 51.5 0.5 . 1 . . . . . . . . 6250 1 345 . 1 1 69 69 ALA CB C 13 19.5 0.5 . 1 . . . . . . . . 6250 1 346 . 1 1 69 69 ALA HA H 1 4.48 0.05 . 1 . . . . . . . . 6250 1 347 . 1 1 69 69 ALA HB1 H 1 1.35 0.05 . 1 . . . . . . . . 6250 1 348 . 1 1 69 69 ALA HB2 H 1 1.35 0.05 . 1 . . . . . . . . 6250 1 349 . 1 1 69 69 ALA HB3 H 1 1.35 0.05 . 1 . . . . . . . . 6250 1 350 . 1 1 70 70 LYS H H 1 10.12 0.01 . 1 . . . . . . . . 6250 1 351 . 1 1 70 70 LYS N N 15 126.2 0.2 . 1 . . . . . . . . 6250 1 352 . 1 1 70 70 LYS CA C 13 57.9 0.5 . 1 . . . . . . . . 6250 1 353 . 1 1 70 70 LYS CB C 13 32.3 0.5 . 1 . . . . . . . . 6250 1 354 . 1 1 70 70 LYS HA H 1 4.37 0.05 . 1 . . . . . . . . 6250 1 355 . 1 1 71 71 LYS H H 1 8.97 0.01 . 1 . . . . . . . . 6250 1 356 . 1 1 71 71 LYS N N 15 122.2 0.2 . 1 . . . . . . . . 6250 1 357 . 1 1 71 71 LYS CA C 13 55.4 0.5 . 1 . . . . . . . . 6250 1 358 . 1 1 71 71 LYS CB C 13 35.5 0.5 . 1 . . . . . . . . 6250 1 359 . 1 1 71 71 LYS HA H 1 4.63 0.05 . 1 . . . . . . . . 6250 1 360 . 1 1 71 71 LYS HB2 H 1 1.84 0.05 . 2 . . . . . . . . 6250 1 361 . 1 1 71 71 LYS HB3 H 1 1.7 0.05 . 2 . . . . . . . . 6250 1 362 . 1 1 72 72 ILE H H 1 9.05 0.01 . 1 . . . . . . . . 6250 1 363 . 1 1 72 72 ILE N N 15 129.4 0.2 . 1 . . . . . . . . 6250 1 364 . 1 1 72 72 ILE CA C 13 58.5 0.5 . 1 . . . . . . . . 6250 1 365 . 1 1 72 72 ILE CB C 13 38.4 0.5 . 1 . . . . . . . . 6250 1 366 . 1 1 72 72 ILE HA H 1 5.28 0.05 . 1 . . . . . . . . 6250 1 367 . 1 1 73 73 GLU H H 1 8.83 0.01 . 1 . . . . . . . . 6250 1 368 . 1 1 73 73 GLU N N 15 124 0.2 . 1 . . . . . . . . 6250 1 369 . 1 1 73 73 GLU CA C 13 53.8 0.5 . 1 . . . . . . . . 6250 1 370 . 1 1 73 73 GLU CB C 13 36.2 0.5 . 1 . . . . . . . . 6250 1 371 . 1 1 73 73 GLU HA H 1 5.28 0.05 . 1 . . . . . . . . 6250 1 372 . 1 1 74 74 VAL H H 1 9.76 0.01 . 1 . . . . . . . . 6250 1 373 . 1 1 74 74 VAL N N 15 119 0.2 . 1 . . . . . . . . 6250 1 374 . 1 1 74 74 VAL CA C 13 59 0.5 . 1 . . . . . . . . 6250 1 375 . 1 1 74 74 VAL CB C 13 36.1 0.5 . 1 . . . . . . . . 6250 1 376 . 1 1 74 74 VAL HA H 1 5.23 0.05 . 1 . . . . . . . . 6250 1 377 . 1 1 74 74 VAL HB H 1 1.31 0.05 . 1 . . . . . . . . 6250 1 378 . 1 1 75 75 GLU H H 1 8.94 0.01 . 1 . . . . . . . . 6250 1 379 . 1 1 75 75 GLU N N 15 126.9 0.2 . 1 . . . . . . . . 6250 1 380 . 1 1 75 75 GLU CA C 13 54.9 0.5 . 1 . . . . . . . . 6250 1 381 . 1 1 75 75 GLU CB C 13 34.6 0.5 . 1 . . . . . . . . 6250 1 382 . 1 1 75 75 GLU HA H 1 5.03 0.05 . 1 . . . . . . . . 6250 1 383 . 1 1 76 76 PHE H H 1 8.73 0.01 . 1 . . . . . . . . 6250 1 384 . 1 1 76 76 PHE N N 15 123 0.2 . 1 . . . . . . . . 6250 1 385 . 1 1 76 76 PHE CA C 13 56.3 0.5 . 1 . . . . . . . . 6250 1 386 . 1 1 76 76 PHE CB C 13 41.6 0.5 . 1 . . . . . . . . 6250 1 387 . 1 1 77 77 ASP H H 1 9.12 0.01 . 1 . . . . . . . . 6250 1 388 . 1 1 77 77 ASP N N 15 120.9 0.2 . 1 . . . . . . . . 6250 1 389 . 1 1 77 77 ASP CA C 13 53.1 0.5 . 1 . . . . . . . . 6250 1 390 . 1 1 77 77 ASP CB C 13 41.6 0.5 . 1 . . . . . . . . 6250 1 391 . 1 1 77 77 ASP HA H 1 4.62 0.05 . 1 . . . . . . . . 6250 1 392 . 1 1 77 77 ASP HB2 H 1 3.01 0.05 . 2 . . . . . . . . 6250 1 393 . 1 1 77 77 ASP HB3 H 1 2.66 0.05 . 2 . . . . . . . . 6250 1 394 . 1 1 78 78 LYS H H 1 8.75 0.01 . 1 . . . . . . . . 6250 1 395 . 1 1 78 78 LYS N N 15 129 0.2 . 1 . . . . . . . . 6250 1 396 . 1 1 78 78 LYS CA C 13 58.2 0.5 . 1 . . . . . . . . 6250 1 397 . 1 1 78 78 LYS CB C 13 31.8 0.5 . 1 . . . . . . . . 6250 1 398 . 1 1 78 78 LYS HA H 1 4.17 0.05 . 1 . . . . . . . . 6250 1 399 . 1 1 78 78 LYS HB2 H 1 1.88 0.05 . 2 . . . . . . . . 6250 1 400 . 1 1 78 78 LYS HB3 H 1 1.74 0.05 . 2 . . . . . . . . 6250 1 401 . 1 1 79 79 GLY H H 1 8.77 0.01 . 1 . . . . . . . . 6250 1 402 . 1 1 79 79 GLY N N 15 108 0.2 . 1 . . . . . . . . 6250 1 403 . 1 1 79 79 GLY CA C 13 45 0.5 . 1 . . . . . . . . 6250 1 404 . 1 1 79 79 GLY HA2 H 1 4.39 0.05 . 2 . . . . . . . . 6250 1 405 . 1 1 79 79 GLY HA3 H 1 3.72 0.05 . 2 . . . . . . . . 6250 1 406 . 1 1 80 80 GLN H H 1 7.3 0.01 . 1 . . . . . . . . 6250 1 407 . 1 1 80 80 GLN N N 15 118.6 0.2 . 1 . . . . . . . . 6250 1 408 . 1 1 80 80 GLN CA C 13 55.3 0.5 . 1 . . . . . . . . 6250 1 409 . 1 1 80 80 GLN CB C 13 30.7 0.5 . 1 . . . . . . . . 6250 1 410 . 1 1 80 80 GLN HA H 1 4.43 0.05 . 1 . . . . . . . . 6250 1 411 . 1 1 81 81 ARG H H 1 8.42 0.01 . 1 . . . . . . . . 6250 1 412 . 1 1 81 81 ARG N N 15 120.9 0.2 . 1 . . . . . . . . 6250 1 413 . 1 1 81 81 ARG CA C 13 55.2 0.5 . 1 . . . . . . . . 6250 1 414 . 1 1 81 81 ARG CB C 13 30.6 0.5 . 1 . . . . . . . . 6250 1 415 . 1 1 81 81 ARG HA H 1 4.44 0.05 . 1 . . . . . . . . 6250 1 416 . 1 1 81 81 ARG HB2 H 1 1.75 0.05 . 1 . . . . . . . . 6250 1 417 . 1 1 81 81 ARG HB3 H 1 1.75 0.05 . 1 . . . . . . . . 6250 1 418 . 1 1 82 82 THR H H 1 7.84 0.01 . 1 . . . . . . . . 6250 1 419 . 1 1 82 82 THR N N 15 115.4 0.2 . 1 . . . . . . . . 6250 1 420 . 1 1 82 82 THR CA C 13 61.1 0.5 . 1 . . . . . . . . 6250 1 421 . 1 1 82 82 THR CB C 13 70.5 0.5 . 1 . . . . . . . . 6250 1 422 . 1 1 82 82 THR HA H 1 4.02 0.05 . 1 . . . . . . . . 6250 1 423 . 1 1 82 82 THR HB H 1 3.54 0.05 . 1 . . . . . . . . 6250 1 424 . 1 1 83 83 ASP H H 1 7.76 0.01 . 1 . . . . . . . . 6250 1 425 . 1 1 83 83 ASP N N 15 119.1 0.2 . 1 . . . . . . . . 6250 1 426 . 1 1 83 83 ASP CA C 13 52.8 0.5 . 1 . . . . . . . . 6250 1 427 . 1 1 83 83 ASP CB C 13 41 0.5 . 1 . . . . . . . . 6250 1 428 . 1 1 83 83 ASP HA H 1 4.54 0.05 . 1 . . . . . . . . 6250 1 429 . 1 1 84 84 LYS H H 1 8.28 0.01 . 1 . . . . . . . . 6250 1 430 . 1 1 84 84 LYS N N 15 117.3 0.2 . 1 . . . . . . . . 6250 1 431 . 1 1 84 84 LYS CA C 13 58.2 0.5 . 1 . . . . . . . . 6250 1 432 . 1 1 84 84 LYS CB C 13 31.7 0.5 . 1 . . . . . . . . 6250 1 433 . 1 1 84 84 LYS HA H 1 3.96 0.05 . 1 . . . . . . . . 6250 1 434 . 1 1 84 84 LYS HB2 H 1 1.61 0.05 . 2 . . . . . . . . 6250 1 435 . 1 1 84 84 LYS HB3 H 1 1.4 0.05 . 2 . . . . . . . . 6250 1 436 . 1 1 85 85 TYR H H 1 7.86 0.01 . 1 . . . . . . . . 6250 1 437 . 1 1 85 85 TYR N N 15 119.1 0.2 . 1 . . . . . . . . 6250 1 438 . 1 1 85 85 TYR CA C 13 56.7 0.5 . 1 . . . . . . . . 6250 1 439 . 1 1 85 85 TYR CB C 13 38.3 0.5 . 1 . . . . . . . . 6250 1 440 . 1 1 85 85 TYR HA H 1 4.6 0.05 . 1 . . . . . . . . 6250 1 441 . 1 1 85 85 TYR HB2 H 1 3.34 0.05 . 2 . . . . . . . . 6250 1 442 . 1 1 85 85 TYR HB3 H 1 2.66 0.05 . 2 . . . . . . . . 6250 1 443 . 1 1 86 86 GLY H H 1 8.18 0.01 . 1 . . . . . . . . 6250 1 444 . 1 1 86 86 GLY N N 15 109.9 0.2 . 1 . . . . . . . . 6250 1 445 . 1 1 86 86 GLY CA C 13 45.5 0.5 . 1 . . . . . . . . 6250 1 446 . 1 1 86 86 GLY HA2 H 1 3.5 0.05 . 1 . . . . . . . . 6250 1 447 . 1 1 86 86 GLY HA3 H 1 3.5 0.05 . 1 . . . . . . . . 6250 1 448 . 1 1 87 87 ARG H H 1 8.26 0.01 . 1 . . . . . . . . 6250 1 449 . 1 1 87 87 ARG N N 15 119.2 0.2 . 1 . . . . . . . . 6250 1 450 . 1 1 87 87 ARG CA C 13 55.7 0.5 . 1 . . . . . . . . 6250 1 451 . 1 1 87 87 ARG CB C 13 31.7 0.5 . 1 . . . . . . . . 6250 1 452 . 1 1 87 87 ARG HA H 1 4.52 0.05 . 1 . . . . . . . . 6250 1 453 . 1 1 87 87 ARG HB2 H 1 3 0.05 . 1 . . . . . . . . 6250 1 454 . 1 1 87 87 ARG HB3 H 1 3 0.05 . 1 . . . . . . . . 6250 1 455 . 1 1 88 88 TRP H H 1 8.24 0.01 . 1 . . . . . . . . 6250 1 456 . 1 1 88 88 TRP N N 15 124.1 0.2 . 1 . . . . . . . . 6250 1 457 . 1 1 88 88 TRP CB C 13 30.5 0.5 . 1 . . . . . . . . 6250 1 458 . 1 1 88 88 TRP CA C 13 55.8 0.5 . 1 . . . . . . . . 6250 1 459 . 1 1 88 88 TRP HA H 1 4.25 0.05 . 1 . . . . . . . . 6250 1 460 . 1 1 88 88 TRP HE1 H 1 9.89 0.05 . 1 . . . . . . . . 6250 1 461 . 1 1 88 88 TRP NE1 N 15 130.6 0.2 . 1 . . . . . . . . 6250 1 462 . 1 1 89 89 LEU H H 1 9.49 0.01 . 1 . . . . . . . . 6250 1 463 . 1 1 89 89 LEU N N 15 128.1 0.2 . 1 . . . . . . . . 6250 1 464 . 1 1 89 89 LEU CA C 13 55.7 0.5 . 1 . . . . . . . . 6250 1 465 . 1 1 89 89 LEU CB C 13 42.2 0.5 . 1 . . . . . . . . 6250 1 466 . 1 1 89 89 LEU HA H 1 5.08 0.05 . 1 . . . . . . . . 6250 1 467 . 1 1 90 90 ALA H H 1 8.91 0.01 . 1 . . . . . . . . 6250 1 468 . 1 1 90 90 ALA N N 15 124.3 0.2 . 1 . . . . . . . . 6250 1 469 . 1 1 90 90 ALA CA C 13 51.7 0.5 . 1 . . . . . . . . 6250 1 470 . 1 1 90 90 ALA CB C 13 26.4 0.5 . 1 . . . . . . . . 6250 1 471 . 1 1 90 90 ALA HB1 H 1 1.2 0.05 . 1 . . . . . . . . 6250 1 472 . 1 1 90 90 ALA HB2 H 1 1.2 0.05 . 1 . . . . . . . . 6250 1 473 . 1 1 90 90 ALA HB3 H 1 1.2 0.05 . 1 . . . . . . . . 6250 1 474 . 1 1 90 90 ALA HA H 1 4.97 0.05 . 1 . . . . . . . . 6250 1 475 . 1 1 91 91 TYR H H 1 8.9 0.01 . 1 . . . . . . . . 6250 1 476 . 1 1 91 91 TYR N N 15 120.9 0.2 . 1 . . . . . . . . 6250 1 477 . 1 1 91 91 TYR CA C 13 57.4 0.5 . 1 . . . . . . . . 6250 1 478 . 1 1 91 91 TYR CB C 13 39.3 0.5 . 1 . . . . . . . . 6250 1 479 . 1 1 91 91 TYR HA H 1 4.69 0.05 . 1 . . . . . . . . 6250 1 480 . 1 1 93 93 TYR H H 1 9.52 0.01 . 1 . . . . . . . . 6250 1 481 . 1 1 93 93 TYR N N 15 126.5 0.2 . 1 . . . . . . . . 6250 1 482 . 1 1 93 93 TYR CA C 13 56.2 0.5 . 1 . . . . . . . . 6250 1 483 . 1 1 93 93 TYR CB C 13 41.3 0.5 . 1 . . . . . . . . 6250 1 484 . 1 1 93 93 TYR HA H 1 5.09 0.05 . 1 . . . . . . . . 6250 1 485 . 1 1 94 94 ALA H H 1 9.32 0.01 . 1 . . . . . . . . 6250 1 486 . 1 1 94 94 ALA N N 15 126.5 0.2 . 1 . . . . . . . . 6250 1 487 . 1 1 94 94 ALA CB C 13 21.2 0.5 . 1 . . . . . . . . 6250 1 488 . 1 1 94 94 ALA CA C 13 49.7 0.5 . 1 . . . . . . . . 6250 1 489 . 1 1 94 94 ALA HA H 1 4.99 0.05 . 1 . . . . . . . . 6250 1 490 . 1 1 94 94 ALA HB1 H 1 1.16 0.05 . 1 . . . . . . . . 6250 1 491 . 1 1 94 94 ALA HB2 H 1 1.16 0.05 . 1 . . . . . . . . 6250 1 492 . 1 1 94 94 ALA HB3 H 1 1.16 0.05 . 1 . . . . . . . . 6250 1 493 . 1 1 95 95 ASP H H 1 9.79 0.01 . 1 . . . . . . . . 6250 1 494 . 1 1 95 95 ASP N N 15 127.9 0.2 . 1 . . . . . . . . 6250 1 495 . 1 1 95 95 ASP CA C 13 56.3 0.5 . 1 . . . . . . . . 6250 1 496 . 1 1 95 95 ASP CB C 13 39.8 0.5 . 1 . . . . . . . . 6250 1 497 . 1 1 95 95 ASP HA H 1 4.42 0.05 . 1 . . . . . . . . 6250 1 498 . 1 1 96 96 GLY H H 1 9.43 0.01 . 1 . . . . . . . . 6250 1 499 . 1 1 96 96 GLY N N 15 103.9 0.2 . 1 . . . . . . . . 6250 1 500 . 1 1 96 96 GLY CA C 13 45.3 0.5 . 1 . . . . . . . . 6250 1 501 . 1 1 96 96 GLY HA2 H 1 4.23 0.05 . 2 . . . . . . . . 6250 1 502 . 1 1 96 96 GLY HA3 H 1 3.69 0.05 . 2 . . . . . . . . 6250 1 503 . 1 1 97 97 LYS H H 1 7.87 0.01 . 1 . . . . . . . . 6250 1 504 . 1 1 97 97 LYS N N 15 121.8 0.2 . 1 . . . . . . . . 6250 1 505 . 1 1 97 97 LYS CA C 13 54.3 0.5 . 1 . . . . . . . . 6250 1 506 . 1 1 97 97 LYS CB C 13 33.3 0.5 . 1 . . . . . . . . 6250 1 507 . 1 1 97 97 LYS HA H 1 4.66 0.05 . 1 . . . . . . . . 6250 1 508 . 1 1 97 97 LYS HB2 H 1 1.91 0.05 . 2 . . . . . . . . 6250 1 509 . 1 1 97 97 LYS HB3 H 1 1.8 0.05 . 2 . . . . . . . . 6250 1 510 . 1 1 98 98 MET H H 1 9.32 0.01 . 1 . . . . . . . . 6250 1 511 . 1 1 98 98 MET N N 15 126.7 0.2 . 1 . . . . . . . . 6250 1 512 . 1 1 98 98 MET CB C 13 35 0.5 . 1 . . . . . . . . 6250 1 513 . 1 1 98 98 MET CA C 13 56.3 0.5 . 1 . . . . . . . . 6250 1 514 . 1 1 98 98 MET HA H 1 5 0.05 . 1 . . . . . . . . 6250 1 515 . 1 1 102 102 ALA H H 1 7.62 0.01 . 1 . . . . . . . . 6250 1 516 . 1 1 102 102 ALA N N 15 123.1 0.2 . 1 . . . . . . . . 6250 1 517 . 1 1 102 102 ALA CA C 13 54.9 0.5 . 1 . . . . . . . . 6250 1 518 . 1 1 102 102 ALA CB C 13 18.7 0.5 . 1 . . . . . . . . 6250 1 519 . 1 1 102 102 ALA HA H 1 4.13 0.05 . 1 . . . . . . . . 6250 1 520 . 1 1 102 102 ALA HB1 H 1 1.69 0.05 . 1 . . . . . . . . 6250 1 521 . 1 1 102 102 ALA HB2 H 1 1.69 0.05 . 1 . . . . . . . . 6250 1 522 . 1 1 102 102 ALA HB3 H 1 1.69 0.05 . 1 . . . . . . . . 6250 1 523 . 1 1 103 103 LEU H H 1 8.15 0.01 . 1 . . . . . . . . 6250 1 524 . 1 1 103 103 LEU N N 15 118.4 0.2 . 1 . . . . . . . . 6250 1 525 . 1 1 103 103 LEU CB C 13 42.8 0.5 . 1 . . . . . . . . 6250 1 526 . 1 1 103 103 LEU CA C 13 58 0.5 . 1 . . . . . . . . 6250 1 527 . 1 1 107 107 GLY H H 1 7.92 0.01 . 1 . . . . . . . . 6250 1 528 . 1 1 107 107 GLY N N 15 107.9 0.2 . 1 . . . . . . . . 6250 1 529 . 1 1 107 107 GLY CA C 13 45.9 0.5 . 1 . . . . . . . . 6250 1 530 . 1 1 107 107 GLY HA2 H 1 3.88 0.05 . 1 . . . . . . . . 6250 1 531 . 1 1 107 107 GLY HA3 H 1 3.88 0.05 . 1 . . . . . . . . 6250 1 532 . 1 1 112 112 ALA H H 1 8.32 0.01 . 1 . . . . . . . . 6250 1 533 . 1 1 112 112 ALA N N 15 128.2 0.2 . 1 . . . . . . . . 6250 1 534 . 1 1 112 112 ALA CA C 13 52.1 0.5 . 1 . . . . . . . . 6250 1 535 . 1 1 112 112 ALA CB C 13 19.2 0.5 . 1 . . . . . . . . 6250 1 536 . 1 1 112 112 ALA HA H 1 4.32 0.05 . 1 . . . . . . . . 6250 1 537 . 1 1 112 112 ALA HB1 H 1 1.3 0.05 . 1 . . . . . . . . 6250 1 538 . 1 1 112 112 ALA HB2 H 1 1.3 0.05 . 1 . . . . . . . . 6250 1 539 . 1 1 112 112 ALA HB3 H 1 1.3 0.05 . 1 . . . . . . . . 6250 1 540 . 1 1 113 113 TYR H H 1 8.12 0.01 . 1 . . . . . . . . 6250 1 541 . 1 1 113 113 TYR N N 15 120.9 0.2 . 1 . . . . . . . . 6250 1 542 . 1 1 113 113 TYR CA C 13 57.9 0.5 . 1 . . . . . . . . 6250 1 543 . 1 1 113 113 TYR CB C 13 39.3 0.5 . 1 . . . . . . . . 6250 1 544 . 1 1 113 113 TYR HA H 1 4.29 0.05 . 1 . . . . . . . . 6250 1 545 . 1 1 114 114 VAL H H 1 7.92 0.01 . 1 . . . . . . . . 6250 1 546 . 1 1 114 114 VAL N N 15 124.1 0.2 . 1 . . . . . . . . 6250 1 547 . 1 1 114 114 VAL CA C 13 61.8 0.5 . 1 . . . . . . . . 6250 1 548 . 1 1 114 114 VAL CB C 13 33.3 0.5 . 1 . . . . . . . . 6250 1 549 . 1 1 114 114 VAL HA H 1 4 0.05 . 1 . . . . . . . . 6250 1 550 . 1 1 114 114 VAL HB H 1 1.88 0.05 . 1 . . . . . . . . 6250 1 551 . 1 1 115 115 TYR H H 1 8.32 0.01 . 1 . . . . . . . . 6250 1 552 . 1 1 115 115 TYR N N 15 126.4 0.2 . 1 . . . . . . . . 6250 1 553 . 1 1 115 115 TYR CA C 13 57.9 0.5 . 1 . . . . . . . . 6250 1 554 . 1 1 115 115 TYR CB C 13 38.9 0.5 . 1 . . . . . . . . 6250 1 555 . 1 1 115 115 TYR HA H 1 4.46 0.05 . 1 . . . . . . . . 6250 1 556 . 1 1 115 115 TYR HB2 H 1 2.92 0.05 . 1 . . . . . . . . 6250 1 557 . 1 1 115 115 TYR HB3 H 1 2.92 0.05 . 1 . . . . . . . . 6250 1 558 . 1 1 116 116 LYS H H 1 8.05 0.01 . 1 . . . . . . . . 6250 1 559 . 1 1 116 116 LYS N N 15 127.1 0.2 . 1 . . . . . . . . 6250 1 560 . 1 1 116 116 LYS CA C 13 53.5 0.5 . 1 . . . . . . . . 6250 1 561 . 1 1 116 116 LYS CB C 13 33.3 0.5 . 1 . . . . . . . . 6250 1 562 . 1 1 116 116 LYS HB2 H 1 1.68 0.05 . 1 . . . . . . . . 6250 1 563 . 1 1 116 116 LYS HB3 H 1 1.68 0.05 . 1 . . . . . . . . 6250 1 564 . 1 1 116 116 LYS HA H 1 4.48 0.05 . 1 . . . . . . . . 6250 1 565 . 1 1 118 118 ASN H H 1 8.52 0.01 . 1 . . . . . . . . 6250 1 566 . 1 1 118 118 ASN N N 15 119.1 0.2 . 1 . . . . . . . . 6250 1 567 . 1 1 118 118 ASN CA C 13 53.2 0.5 . 1 . . . . . . . . 6250 1 568 . 1 1 118 118 ASN CB C 13 38.8 0.5 . 1 . . . . . . . . 6250 1 569 . 1 1 118 118 ASN HA H 1 4.65 0.05 . 1 . . . . . . . . 6250 1 570 . 1 1 118 118 ASN HB2 H 1 2.8 0.05 . 1 . . . . . . . . 6250 1 571 . 1 1 118 118 ASN HB3 H 1 2.8 0.05 . 1 . . . . . . . . 6250 1 572 . 1 1 119 119 ASN H H 1 8.41 0.01 . 1 . . . . . . . . 6250 1 573 . 1 1 119 119 ASN N N 15 119.7 0.2 . 1 . . . . . . . . 6250 1 574 . 1 1 119 119 ASN CA C 13 53.2 0.5 . 1 . . . . . . . . 6250 1 575 . 1 1 119 119 ASN CB C 13 38.8 0.5 . 1 . . . . . . . . 6250 1 576 . 1 1 119 119 ASN HA H 1 4.76 0.05 . 1 . . . . . . . . 6250 1 577 . 1 1 119 119 ASN HB2 H 1 2.8 0.05 . 1 . . . . . . . . 6250 1 578 . 1 1 119 119 ASN HB3 H 1 2.8 0.05 . 1 . . . . . . . . 6250 1 579 . 1 1 120 120 THR H H 1 8.08 0.01 . 1 . . . . . . . . 6250 1 580 . 1 1 120 120 THR N N 15 114.6 0.2 . 1 . . . . . . . . 6250 1 581 . 1 1 120 120 THR CA C 13 61.8 0.5 . 1 . . . . . . . . 6250 1 582 . 1 1 120 120 THR CB C 13 69.8 0.5 . 1 . . . . . . . . 6250 1 583 . 1 1 120 120 THR HA H 1 4.25 0.05 . 1 . . . . . . . . 6250 1 584 . 1 1 121 121 HIS H H 1 8.11 0.01 . 1 . . . . . . . . 6250 1 585 . 1 1 121 121 HIS N N 15 125.7 0.2 . 1 . . . . . . . . 6250 1 586 . 1 1 121 121 HIS CA C 13 56.9 0.5 . 1 . . . . . . . . 6250 1 587 . 1 1 121 121 HIS CB C 13 29.9 0.5 . 1 . . . . . . . . 6250 1 588 . 1 1 121 121 HIS HA H 1 4.47 0.05 . 1 . . . . . . . . 6250 1 589 . 1 1 121 121 HIS HB2 H 1 3.1 0.05 . 2 . . . . . . . . 6250 1 590 . 1 1 121 121 HIS HB3 H 1 3.24 0.05 . 2 . . . . . . . . 6250 1 stop_ save_