data_4010 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4010 _Entry.Title ; Resonance Assignments for the OB-fold Sub-Domain of Staphylococcal Nuclease (SNOB) -> Nuclease 1-103 (V66L, G88V) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1996-10-16 _Entry.Accession_date 1997-05-12 _Entry.Last_release_date . _Entry.Original_release_date . _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 Andrei Alexandrescu . . . 4010 2 Aposolos Gittis . . . 4010 3 Chitrananda Abeygunawardana . . . 4010 4 David Shortle . . . 4010 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 4010 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 119 4010 '1H chemical shifts' 733 4010 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 . . 1998-07-05 . version_update BMRB 'converted to NMR-STAR 2.10' 4010 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4010 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 95333171 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Alexandrescu, A., Gittis, A., Abeygunawardana, C., and Shortle, D., "NMR Structure of a Stable "OB-fold" Sub-domain Isolated from Staphylococcal Nuclease," J. Mol. Biol. 250, 134-143 (1995). ; _Citation.Title ; NMR Structure of a Stable "OB-fold" Sub-domain Isolated from Staphylococcal Nuclease ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 250 _Citation.Journal_issue 2 _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 134 _Citation.Page_last 143 _Citation.Year 1995 _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 Andrei Alexandrescu . . . 4010 1 2 Aposolos Gittis . . . 4010 1 3 Chitrananda Abeygunawardana . . . 4010 1 4 David Shortle . . . 4010 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID evolution 4010 1 NMR 4010 1 OB-fold 4010 1 'protein folding' 4010 1 'protein structure' 4010 1 'SNOB, OB-fold sub-domain of staphylococcal nuclease' 4010 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SNOB _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SNOB _Assembly.Entry_ID 4010 _Assembly.ID 1 _Assembly.Name 'OB-fold sub-domain of staphylococcal nuclease' _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 . _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 4010 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 SNOB 1 $SNOB . . yes native . . . . . 4010 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'OB-fold sub-domain of staphylococcal nuclease' system 4010 1 SNOB abbreviation 4010 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Staphylococcal nuclease fragment' 4010 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SNOB _Entity.Sf_category entity _Entity.Sf_framecode SNOB _Entity.Entry_ID 4010 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SNOB _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 FTKKMLENAKKIEVEFDKGQ RTDKYGRVLAYIYADGKMVN EAL ; _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 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 97.09 99.03 1.99e-64 . . . . 4010 1 2 no BMRB 15357 . "SNase complex -subdomain" . . . . . 100.00 156 98.06 99.03 5.75e-65 . . . . 4010 1 3 no BMRB 1581 . "micrococcal nuclease" . . . . . 95.15 156 96.94 98.98 4.52e-61 . . . . 4010 1 4 no BMRB 16585 . SNase140 . . . . . 100.00 140 98.06 99.03 3.83e-65 . . . . 4010 1 5 no BMRB 1704 . "micrococcal nuclease" . . . . . 100.00 143 98.06 99.03 3.46e-65 . . . . 4010 1 6 no BMRB 17718 . Staphylococcal_nuclease . . . . . 100.00 149 98.06 99.03 2.48e-65 . . . . 4010 1 7 no BMRB 18013 . SNase_PHS . . . . . 100.00 149 98.06 99.03 2.22e-65 . . . . 4010 1 8 no BMRB 1874 . "micrococcal nuclease" . . . . . 100.00 143 98.06 99.03 3.46e-65 . . . . 4010 1 9 no BMRB 1875 . "micrococcal nuclease" . . . . . 100.00 143 98.06 99.03 3.46e-65 . . . . 4010 1 10 no BMRB 1876 . "micrococcal nuclease" . . . . . 100.00 143 98.06 99.03 3.46e-65 . . . . 4010 1 11 no BMRB 1877 . "micrococcal nuclease" . . . . . 100.00 143 98.06 99.03 3.46e-65 . . . . 4010 1 12 no BMRB 1878 . "micrococcal nuclease" . . . . . 100.00 143 98.06 99.03 3.46e-65 . . . . 4010 1 13 no BMRB 18788 . staph_nuc_E43S . . . . . 100.00 149 97.09 98.06 1.37e-64 . . . . 4010 1 14 no BMRB 188 . "micrococcal nuclease" . . . . . 100.00 156 97.09 99.03 1.99e-64 . . . . 4010 1 15 no BMRB 189 . "micrococcal nuclease" . . . . . 100.00 156 97.09 99.03 1.99e-64 . . . . 4010 1 16 no BMRB 2784 . "micrococcal nuclease" . . . . . 100.00 156 97.09 99.03 1.99e-64 . . . . 4010 1 17 no BMRB 2785 . "micrococcal nuclease" . . . . . 100.00 156 97.09 99.03 1.99e-64 . . . . 4010 1 18 no BMRB 4052 . "staphylococcal nuclease" . . . . . 100.00 149 98.06 99.03 2.48e-65 . . . . 4010 1 19 no BMRB 4053 . "staphylococcal nuclease" . . . . . 100.00 149 98.06 99.03 2.48e-65 . . . . 4010 1 20 no PDB 1A2T . "Staphylococcal Nuclease, B-Mercaptoethanol Disulfide To V23c Variant" . . . . . 100.00 149 97.09 98.06 2.26e-64 . . . . 4010 1 21 no PDB 1A2U . "Staphylococcal Nuclease, V23c Variant, Complex With 1-N- Butane Thiol And 3',5'-Thymidine Diphosphate" . . . . . 100.00 149 97.09 98.06 2.26e-64 . . . . 4010 1 22 no PDB 1A3T . "Staphylococcal Nuclease, V23c Variant, Complex With 2- Fluoroethane Thiol And 3',5'-Thymidine Diphosphate" . . . . . 100.00 149 97.09 98.06 2.26e-64 . . . . 4010 1 23 no PDB 1A3U . "Staphylococcal Nuclease, Cyclohexane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 97.09 98.06 2.26e-64 . . . . 4010 1 24 no PDB 1A3V . "Staphylococcal Nuclease, Cyclopentane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 97.09 98.06 2.26e-64 . . . . 4010 1 25 no PDB 1AEX . "Staphylococcal Nuclease, Methane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 97.09 98.06 2.26e-64 . . . . 4010 1 26 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" . . . . . 94.17 135 96.91 98.97 1.30e-60 . . . . 4010 1 27 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 97.09 99.03 1.58e-64 . . . . 4010 1 28 no PDB 1EQV . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 95.15 136 97.96 98.98 3.23e-62 . . . . 4010 1 29 no PDB 1EY0 . "Structure Of Wild-Type S. Nuclease At 1.6 A Resolution" . . . . . 100.00 149 98.06 99.03 3.29e-65 . . . . 4010 1 30 no PDB 1EY4 . "Structure Of S. Nuclease Stabilizing Mutant S59a" . . . . . 100.00 149 97.09 99.03 1.08e-64 . . . . 4010 1 31 no PDB 1EY5 . "Structure Of S. Nuclease Stabilizing Mutant T33v" . . . . . 100.00 149 97.09 98.06 1.39e-64 . . . . 4010 1 32 no PDB 1EY6 . "Structure Of S. Nuclease Stabilizing Mutant T41i" . . . . . 100.00 149 97.09 98.06 2.24e-64 . . . . 4010 1 33 no PDB 1EY7 . "Structure Of S. Nuclease Stabilizing Mutant S128a" . . . . . 100.00 149 98.06 99.03 3.44e-65 . . . . 4010 1 34 no PDB 1EY8 . "Structure Of S. Nuclease Stabilizing Triple Mutant P117gH124LS128A" . . . . . 100.00 149 98.06 99.03 2.22e-65 . . . . 4010 1 35 no PDB 1EY9 . "Structure Of S. Nuclease Stabilizing Quadruple Mutant T41iP117GH124LS128A" . . . . . 100.00 149 97.09 98.06 1.54e-64 . . . . 4010 1 36 no PDB 1EYD . "Structure Of Wild-Type S. Nuclease At 1.7 A Resolution" . . . . . 100.00 149 98.06 99.03 3.29e-65 . . . . 4010 1 37 no PDB 1EZ8 . "Structure Of S. Nuclease Stabilizing Mutant T33v" . . . . . 100.00 149 97.09 98.06 1.39e-64 . . . . 4010 1 38 no PDB 1F2M . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 98.06 99.03 2.35e-65 . . . . 4010 1 39 no PDB 1F2Y . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 98.06 99.03 2.04e-65 . . . . 4010 1 40 no PDB 1F2Z . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 98.06 99.03 2.04e-65 . . . . 4010 1 41 no PDB 1JOK . "Averaged Structure For Staphylococcal Nuclease-H124l In Ternary Complex With Ca2+ And Thymidine-3',5'-Bisphosphate" . . . . . 100.00 149 98.06 99.03 2.48e-65 . . . . 4010 1 42 no PDB 1JOO . "Averaged Structure For Unligated Staphylococcal Nuclease- H124l" . . . . . 100.00 149 98.06 99.03 2.48e-65 . . . . 4010 1 43 no PDB 1JOQ . "Ensemble Structures For Staphylococcal Nuclease-H124l In Ternary Complex With Ca2+ And Thymidine-3',5'-Bisphosphate" . . . . . 100.00 149 98.06 99.03 2.48e-65 . . . . 4010 1 44 no PDB 1JOR . "Ensemble Structures For Unligated Staphylococcal Nuclease- H124l" . . . . . 100.00 149 98.06 99.03 2.48e-65 . . . . 4010 1 45 no PDB 1KAA . "Stress And Strain In Staphylococcal Nuclease" . . . . . 95.15 136 97.96 98.98 6.41e-62 . . . . 4010 1 46 no PDB 1KAB . "Stress And Strain In Staphylococcal Nuclease" . . . . . 95.15 136 97.96 98.98 1.03e-61 . . . . 4010 1 47 no PDB 1KDA . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 98.06 99.03 3.40e-65 . . . . 4010 1 48 no PDB 1KDB . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 98.06 99.03 3.33e-65 . . . . 4010 1 49 no PDB 1KDC . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 98.06 99.03 2.42e-65 . . . . 4010 1 50 no PDB 1NSN . "The Crystal Structure Of Antibody N10-Staphylococcal Nuclease Complex At 2.9 Angstroms Resolution" . . . . . 100.00 149 98.06 99.03 3.29e-65 . . . . 4010 1 51 no PDB 1NUC . "Staphylococcal Nuclease, V23c Variant" . . . . . 100.00 149 97.09 98.06 1.06e-64 . . . . 4010 1 52 no PDB 1RKN . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With G88w Mutation" . . . . . 100.00 110 98.06 99.03 1.78e-65 . . . . 4010 1 53 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 98.06 99.03 3.29e-65 . . . . 4010 1 54 no PDB 1SND . "Staphylococcal Nuclease Dimer Containing A Deletion Of Residues 114- 119 Complexed With Calcium Chloride And The Competitive In" . . . . . 100.00 143 98.06 99.03 1.92e-65 . . . . 4010 1 55 no PDB 1SNM . "Active Site Mutant Glu-43 (right Arrow) Asp In Staphylococcal Nuclease Displays Nonlocal Structural Changes" . . . . . 100.00 149 97.09 99.03 9.67e-65 . . . . 4010 1 56 no PDB 1SNO . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 98.06 99.03 2.48e-65 . . . . 4010 1 57 no PDB 1SNP . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 98.06 99.03 1.97e-65 . . . . 4010 1 58 no PDB 1SNQ . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 97.09 98.06 4.30e-64 . . . . 4010 1 59 no PDB 1STB . "Accommodation Of Insertion Mutations On The Surface And In The Interior Of Staphylococcal Nuclease" . . . . . 100.97 150 97.12 98.08 1.81e-63 . . . . 4010 1 60 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 98.06 99.03 3.29e-65 . . . . 4010 1 61 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 98.06 99.03 3.29e-65 . . . . 4010 1 62 no PDB 1STN . "The Crystal Structure Of Staphylococcal Nuclease Refined At 1.7 Angstroms Resolution" . . . . . 100.00 149 98.06 99.03 3.29e-65 . . . . 4010 1 63 no PDB 1STY . "The Alpha Aneurism: A Structural Motif Revealed In An Insertion Mutant Of Staphylococcal Nuclease" . . . . . 100.00 150 98.06 99.03 3.22e-65 . . . . 4010 1 64 no PDB 1SYC . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.06 99.03 1.97e-65 . . . . 4010 1 65 no PDB 1SYD . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.06 99.03 1.97e-65 . . . . 4010 1 66 no PDB 1SYE . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.06 99.03 1.97e-65 . . . . 4010 1 67 no PDB 1SYF . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.06 99.03 1.97e-65 . . . . 4010 1 68 no PDB 1SYG . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.06 99.03 1.69e-65 . . . . 4010 1 69 no PDB 1U9R . "Crystal Structure Of Staphylococcal Nuclease Mutant V66eP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 98.06 98.06 1.01e-64 . . . . 4010 1 70 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" . . . . . 94.17 135 96.91 98.97 1.30e-60 . . . . 4010 1 71 no PDB 2EXZ . "Crystal Structure Of Staphylococcal Nuclease Mutant T22c" . . . . . 100.00 149 97.09 98.06 1.40e-64 . . . . 4010 1 72 no PDB 2EY1 . "Crystal Structure Of Staphylococcal Nuclease Mutant T22v" . . . . . 100.00 149 97.09 98.06 1.39e-64 . . . . 4010 1 73 no PDB 2EY2 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41c" . . . . . 100.00 149 97.09 98.06 1.40e-64 . . . . 4010 1 74 no PDB 2EY5 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41s" . . . . . 100.00 149 97.09 99.03 8.12e-65 . . . . 4010 1 75 no PDB 2EY6 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41v" . . . . . 100.00 149 97.09 98.06 1.39e-64 . . . . 4010 1 76 no PDB 2EYF . "Crystal Structure Of Staphylococcal Nuclease Mutant T44v" . . . . . 100.00 149 97.09 98.06 1.39e-64 . . . . 4010 1 77 no PDB 2EYH . "Crystal Structure Of Staphylococcal Nuclease Mutant T62s" . . . . . 100.00 149 97.09 99.03 8.12e-65 . . . . 4010 1 78 no PDB 2EYJ . "Crystal Structure Of Staphylococcal Nuclease Mutant T62v" . . . . . 100.00 149 97.09 98.06 1.39e-64 . . . . 4010 1 79 no PDB 2EYL . "Crystal Structure Of Staphylococcal Nuclease Mutant T82s" . . . . . 100.00 149 97.09 99.03 8.12e-65 . . . . 4010 1 80 no PDB 2EYM . "Crystal Structure Of Staphylococcal Nuclease Mutant T120c" . . . . . 100.00 149 98.06 99.03 3.29e-65 . . . . 4010 1 81 no PDB 2EYO . "Crystal Structure Of Staphylococcal Nuclease Mutant T120s" . . . . . 100.00 149 98.06 99.03 2.89e-65 . . . . 4010 1 82 no PDB 2EYP . "Crystal Structure Of Staphylococcal Nuclease Mutant T120v" . . . . . 100.00 149 98.06 99.03 2.70e-65 . . . . 4010 1 83 no PDB 2F0D . "Crystal Structure Of Staphylococcal Nuclease Mutant I92v" . . . . . 100.00 149 97.09 99.03 4.56e-65 . . . . 4010 1 84 no PDB 2F0E . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l" . . . . . 100.00 149 97.09 99.03 1.04e-64 . . . . 4010 1 85 no PDB 2F0F . "Crystal Structure Of Staphylococcal Nuclease Mutant L25i" . . . . . 100.00 149 97.09 99.03 7.36e-65 . . . . 4010 1 86 no PDB 2F0G . "Crystal Structure Of Staphylococcal Nuclease Mutant V66i" . . . . . 100.00 149 98.06 99.03 2.40e-65 . . . . 4010 1 87 no PDB 2F0H . "Crystal Structure Of Staphylococcal Nuclease Mutant V66l" . . . . . 100.00 149 99.03 99.03 1.04e-65 . . . . 4010 1 88 no PDB 2F0I . "Crystal Structure Of Staphylococcal Nuclease Mutant I72l" . . . . . 100.00 149 97.09 99.03 8.96e-65 . . . . 4010 1 89 no PDB 2F0J . "Crystal Structure Of Staphylococcal Nuclease Mutant I72v" . . . . . 100.00 149 97.09 99.03 4.56e-65 . . . . 4010 1 90 no PDB 2F0O . "Crystal Structure Of Staphylococcal Nuclease Mutant V66iI72V" . . . . . 100.00 149 97.09 99.03 4.32e-65 . . . . 4010 1 91 no PDB 2F0P . "Crystal Structure Of Staphylococcal Nuclease Mutant V66iV99I" . . . . . 100.00 149 97.09 99.03 4.00e-65 . . . . 4010 1 92 no PDB 2F0Q . "Crystal Structure Of Staphylococcal Nuclease Mutant V66lI92L" . . . . . 100.00 149 98.06 99.03 3.18e-65 . . . . 4010 1 93 no PDB 2F0S . "Crystal Structure Of Staphylococcal Nuclease Mutant V66lI92V" . . . . . 100.00 149 98.06 99.03 1.89e-65 . . . . 4010 1 94 no PDB 2F0T . "Crystal Structure Of Staphylococcal Nuclease Mutant V66lV99I" . . . . . 100.00 149 98.06 99.03 1.83e-65 . . . . 4010 1 95 no PDB 2F0V . "Crystal Structure Of Staphylococcal Nuclease Mutant V23lV66LI72L" . . . . . 100.00 149 97.09 99.03 1.07e-64 . . . . 4010 1 96 no PDB 2F3V . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With V66w Mutation" . . . . . 100.00 110 98.06 98.06 5.65e-65 . . . . 4010 1 97 no PDB 2F3W . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease In 2m Tmao" . . . . . 100.00 110 98.06 99.03 3.28e-65 . . . . 4010 1 98 no PDB 2KHS . "Solution Structure Of Snase121:snase(111-143) Complex" . . . . . 100.00 121 98.06 99.03 6.69e-65 . . . . 4010 1 99 no PDB 2KQ3 . "Solution Structure Of Snase140" . . . . . 100.00 140 98.06 99.03 3.83e-65 . . . . 4010 1 100 no PDB 2LKV . "Staphylococcal Nuclease Phs Variant" . . . . . 100.00 149 98.06 99.03 2.22e-65 . . . . 4010 1 101 no PDB 2M00 . "Solution Structure Of Staphylococcal Nuclease E43s Mutant In The Presence Of Ssdna And Cd2+" . . . . . 100.00 149 97.09 98.06 1.37e-64 . . . . 4010 1 102 no PDB 2NUC . "Staphlococcal Nuclease, Ethane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 97.09 98.06 2.26e-64 . . . . 4010 1 103 no PDB 2OXP . "Crystal Structure Of Staphylococcal Nuclease Mutant V66dP117GH124LS128A" . . . . . 100.00 149 98.06 98.06 1.19e-64 . . . . 4010 1 104 no PDB 2PW5 . "Crystal Structure Of Staphylococcal Nuclease Variant V66yP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 98.06 98.06 5.20e-65 . . . . 4010 1 105 no PDB 2PW7 . "Crystal Structure Of Staphylococcal Nuclease Variant V66yP117GH124LS128A AT 100K" . . . . . 100.00 149 98.06 98.06 5.20e-65 . . . . 4010 1 106 no PDB 2PYK . "Crystal Structure Of Staphylococcal Nuclease Variant V66qP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 98.06 98.06 5.73e-65 . . . . 4010 1 107 no PDB 2PZT . "Crystal Structure Of Staphylococcal Nuclease Variant V66qP117GH124LS128A AT 100 K" . . . . . 100.00 149 98.06 98.06 5.73e-65 . . . . 4010 1 108 no PDB 2PZU . "Crystal Structure Of Staphylococcal Nuclease Variant V66nP117GH124LS128A AT CRYOGENIC TEMPERATURE" . . . . . 100.00 149 98.06 98.06 8.77e-65 . . . . 4010 1 109 no PDB 2PZW . "Crystal Structure Of Staphylococcal Nuclease Variant V66nP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 98.06 98.06 8.77e-65 . . . . 4010 1 110 no PDB 2RKS . "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38k At Cryogenic Temperature" . . . . . 100.00 149 97.09 98.06 3.00e-64 . . . . 4010 1 111 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 98.06 98.06 1.36e-64 . . . . 4010 1 112 no PDB 2SNS . "Staphylococcal Nuclease. Proposed Mechanism Of Action Based On Structure Of Enzyme-Thymidine 3(Prime),5(Prime)-Biphosphate-Calc" . . . . . 100.00 149 97.09 99.03 1.07e-64 . . . . 4010 1 113 no PDB 2SOB . "Sn-Ob, Ob-Fold Sub-Domain Of Staphylococcal Nuclease, Nmr, 10 Structures" . . . . . 100.00 103 100.00 100.00 9.58e-67 . . . . 4010 1 114 no PDB 3D6C . "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38e At Cryogenic Temperature" . . . . . 100.00 149 97.09 98.06 3.00e-64 . . . . 4010 1 115 no PDB 3DMU . "Crystal Structure Of Staphylococcal Nuclease Variant Phs T62k At Cryogenic Temperature" . . . . . 100.00 149 97.09 98.06 1.69e-64 . . . . 4010 1 116 no PDB 3NUC . "Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 97.09 98.06 2.26e-64 . . . . 4010 1 117 no PDB 4K14 . "Crystal Structure Of Staphylococcal Nuclease Mutant V66i/v99l" . . . . . 95.15 136 96.94 98.98 2.42e-61 . . . . 4010 1 118 no PDB 4K8J . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l/v66i" . . . . . 94.17 135 96.91 98.97 8.29e-61 . . . . 4010 1 119 no PDB 4QB4 . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l/l25v/v66l" . . . . . 95.15 136 96.94 98.98 2.88e-61 . . . . 4010 1 120 no PDB 4WOR . "Staphylococcal Nuclease In Complex With Ca2+ And Thymidine-3'-5'- Diphosphate (pdtp) At Room Temperature" . . . . . 100.00 149 98.06 99.03 3.29e-65 . . . . 4010 1 121 no PDB 5NUC . "Staphylococcal Nuclease, 1-N-Pentane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 97.09 98.06 2.26e-64 . . . . 4010 1 122 no DBJ BAB41979 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus N315]" . . . . . 100.00 228 97.09 98.06 1.04e-64 . . . . 4010 1 123 no DBJ BAB56977 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 228 97.09 98.06 1.04e-64 . . . . 4010 1 124 no DBJ BAB94634 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 228 98.06 99.03 3.12e-65 . . . . 4010 1 125 no DBJ BAF67032 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 100.00 228 98.06 99.03 3.15e-65 . . . . 4010 1 126 no DBJ BAF77694 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 100.00 228 97.09 98.06 1.04e-64 . . . . 4010 1 127 no EMBL CAA24594 . "nuclease [Staphylococcus aureus]" . . . . . 100.00 231 98.06 99.03 3.65e-65 . . . . 4010 1 128 no EMBL CAG39855 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 100.00 228 98.06 99.03 2.96e-65 . . . . 4010 1 129 no EMBL CAG42530 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 100.00 228 98.06 99.03 3.12e-65 . . . . 4010 1 130 no EMBL CAI80436 . "staphylococcal thermonuclease precursor [Staphylococcus aureus RF122]" . . . . . 100.00 228 97.09 99.03 1.62e-64 . . . . 4010 1 131 no EMBL CAQ49298 . "thermonuclease (TNase) (Micrococcal nuclease)(Staphylococcal nuclease) [Staphylococcus aureus subsp. aureus ST398]" . . . . . 100.00 228 98.06 99.03 2.83e-65 . . . . 4010 1 132 no GB AAC14660 . "deltaSP-Nuc [Cloning vector pFUN]" . . . . . 100.00 155 98.06 99.03 5.00e-65 . . . . 4010 1 133 no GB AAW36415 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus COL]" . . . . . 100.00 228 98.06 99.03 3.15e-65 . . . . 4010 1 134 no GB ABD22328 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 100.00 228 98.06 99.03 3.15e-65 . . . . 4010 1 135 no GB ABD29945 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 100.00 228 98.06 99.03 3.15e-65 . . . . 4010 1 136 no GB ABE02272 . "nuclease [Staphylococcus aureus]" . . . . . 100.00 227 97.09 98.06 1.74e-64 . . . . 4010 1 137 no PRF 1109959A . nuclease,staphylococcal . . . . . 100.00 242 98.06 99.03 5.36e-65 . . . . 4010 1 138 no PRF 710414A . nuclease . . . . . 100.00 149 98.06 99.03 3.29e-65 . . . . 4010 1 139 no REF WP_000141556 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 98.06 99.03 3.59e-65 . . . . 4010 1 140 no REF WP_000141557 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 97.09 98.06 1.04e-64 . . . . 4010 1 141 no REF WP_001548082 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 98.06 99.03 3.15e-65 . . . . 4010 1 142 no REF WP_001566557 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 98.06 99.03 3.29e-65 . . . . 4010 1 143 no REF WP_001574556 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 98.06 99.03 2.83e-65 . . . . 4010 1 144 no SP P00644 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Contains:" . . . . . 100.00 231 98.06 99.03 3.65e-65 . . . . 4010 1 145 no SP Q5HHM4 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 98.06 99.03 3.15e-65 . . . . 4010 1 146 no SP Q6GB41 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 98.06 99.03 3.12e-65 . . . . 4010 1 147 no SP Q6GIK1 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 98.06 99.03 2.96e-65 . . . . 4010 1 148 no SP Q7A6P2 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 97.09 98.06 1.04e-64 . . . . 4010 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SNOB abbreviation 4010 1 SNOB common 4010 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID SN-OB . 4010 1 'OB-fold sub-domain of staphylococcal nuclease' . 4010 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 . 4010 1 2 . THR . 4010 1 3 . SER . 4010 1 4 . THR . 4010 1 5 . LYS . 4010 1 6 . LYS . 4010 1 7 . LEU . 4010 1 8 . HIS . 4010 1 9 . LYS . 4010 1 10 . GLU . 4010 1 11 . PRO . 4010 1 12 . ALA . 4010 1 13 . THR . 4010 1 14 . LEU . 4010 1 15 . ILE . 4010 1 16 . LYS . 4010 1 17 . ALA . 4010 1 18 . ILE . 4010 1 19 . ASP . 4010 1 20 . GLY . 4010 1 21 . ASP . 4010 1 22 . THR . 4010 1 23 . VAL . 4010 1 24 . LYS . 4010 1 25 . LEU . 4010 1 26 . MET . 4010 1 27 . TYR . 4010 1 28 . LYS . 4010 1 29 . GLY . 4010 1 30 . GLN . 4010 1 31 . PRO . 4010 1 32 . MET . 4010 1 33 . THR . 4010 1 34 . PHE . 4010 1 35 . ARG . 4010 1 36 . LEU . 4010 1 37 . LEU . 4010 1 38 . LEU . 4010 1 39 . VAL . 4010 1 40 . ASP . 4010 1 41 . THR . 4010 1 42 . PRO . 4010 1 43 . GLU . 4010 1 44 . THR . 4010 1 45 . LYS . 4010 1 46 . HIS . 4010 1 47 . PRO . 4010 1 48 . LYS . 4010 1 49 . LYS . 4010 1 50 . GLY . 4010 1 51 . VAL . 4010 1 52 . GLU . 4010 1 53 . LYS . 4010 1 54 . TYR . 4010 1 55 . GLY . 4010 1 56 . PRO . 4010 1 57 . GLU . 4010 1 58 . ALA . 4010 1 59 . SER . 4010 1 60 . ALA . 4010 1 61 . PHE . 4010 1 62 . THR . 4010 1 63 . LYS . 4010 1 64 . LYS . 4010 1 65 . MET . 4010 1 66 . LEU . 4010 1 67 . GLU . 4010 1 68 . ASN . 4010 1 69 . ALA . 4010 1 70 . LYS . 4010 1 71 . LYS . 4010 1 72 . ILE . 4010 1 73 . GLU . 4010 1 74 . VAL . 4010 1 75 . GLU . 4010 1 76 . PHE . 4010 1 77 . ASP . 4010 1 78 . LYS . 4010 1 79 . GLY . 4010 1 80 . GLN . 4010 1 81 . ARG . 4010 1 82 . THR . 4010 1 83 . ASP . 4010 1 84 . LYS . 4010 1 85 . TYR . 4010 1 86 . GLY . 4010 1 87 . ARG . 4010 1 88 . VAL . 4010 1 89 . LEU . 4010 1 90 . ALA . 4010 1 91 . TYR . 4010 1 92 . ILE . 4010 1 93 . TYR . 4010 1 94 . ALA . 4010 1 95 . ASP . 4010 1 96 . GLY . 4010 1 97 . LYS . 4010 1 98 . MET . 4010 1 99 . VAL . 4010 1 100 . ASN . 4010 1 101 . GLU . 4010 1 102 . ALA . 4010 1 103 . LEU . 4010 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 4010 1 . THR 2 2 4010 1 . SER 3 3 4010 1 . THR 4 4 4010 1 . LYS 5 5 4010 1 . LYS 6 6 4010 1 . LEU 7 7 4010 1 . HIS 8 8 4010 1 . LYS 9 9 4010 1 . GLU 10 10 4010 1 . PRO 11 11 4010 1 . ALA 12 12 4010 1 . THR 13 13 4010 1 . LEU 14 14 4010 1 . ILE 15 15 4010 1 . LYS 16 16 4010 1 . ALA 17 17 4010 1 . ILE 18 18 4010 1 . ASP 19 19 4010 1 . GLY 20 20 4010 1 . ASP 21 21 4010 1 . THR 22 22 4010 1 . VAL 23 23 4010 1 . LYS 24 24 4010 1 . LEU 25 25 4010 1 . MET 26 26 4010 1 . TYR 27 27 4010 1 . LYS 28 28 4010 1 . GLY 29 29 4010 1 . GLN 30 30 4010 1 . PRO 31 31 4010 1 . MET 32 32 4010 1 . THR 33 33 4010 1 . PHE 34 34 4010 1 . ARG 35 35 4010 1 . LEU 36 36 4010 1 . LEU 37 37 4010 1 . LEU 38 38 4010 1 . VAL 39 39 4010 1 . ASP 40 40 4010 1 . THR 41 41 4010 1 . PRO 42 42 4010 1 . GLU 43 43 4010 1 . THR 44 44 4010 1 . LYS 45 45 4010 1 . HIS 46 46 4010 1 . PRO 47 47 4010 1 . LYS 48 48 4010 1 . LYS 49 49 4010 1 . GLY 50 50 4010 1 . VAL 51 51 4010 1 . GLU 52 52 4010 1 . LYS 53 53 4010 1 . TYR 54 54 4010 1 . GLY 55 55 4010 1 . PRO 56 56 4010 1 . GLU 57 57 4010 1 . ALA 58 58 4010 1 . SER 59 59 4010 1 . ALA 60 60 4010 1 . PHE 61 61 4010 1 . THR 62 62 4010 1 . LYS 63 63 4010 1 . LYS 64 64 4010 1 . MET 65 65 4010 1 . LEU 66 66 4010 1 . GLU 67 67 4010 1 . ASN 68 68 4010 1 . ALA 69 69 4010 1 . LYS 70 70 4010 1 . LYS 71 71 4010 1 . ILE 72 72 4010 1 . GLU 73 73 4010 1 . VAL 74 74 4010 1 . GLU 75 75 4010 1 . PHE 76 76 4010 1 . ASP 77 77 4010 1 . LYS 78 78 4010 1 . GLY 79 79 4010 1 . GLN 80 80 4010 1 . ARG 81 81 4010 1 . THR 82 82 4010 1 . ASP 83 83 4010 1 . LYS 84 84 4010 1 . TYR 85 85 4010 1 . GLY 86 86 4010 1 . ARG 87 87 4010 1 . VAL 88 88 4010 1 . LEU 89 89 4010 1 . ALA 90 90 4010 1 . TYR 91 91 4010 1 . ILE 92 92 4010 1 . TYR 93 93 4010 1 . ALA 94 94 4010 1 . ASP 95 95 4010 1 . GLY 96 96 4010 1 . LYS 97 97 4010 1 . MET 98 98 4010 1 . VAL 99 99 4010 1 . ASN 100 100 4010 1 . GLU 101 101 4010 1 . ALA 102 102 4010 1 . LEU 103 103 4010 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 4010 _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 $SNOB . 1280 . . 'Staphylococcus aureus' 'S. aureus' . . Bacteria . Staphylococcus aureus foggi . . . . . . . 27355 . . . . . . . . . . . . 4010 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 4010 _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 $SNOB . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli HMS174 DE3 . . . . . . . . . . . plasmid . . 'pet11a T7' . . . 'staphylococcal nuclease mutant/fragment' . . 4010 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4010 _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 . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4010 _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 4.7 . n/a 4010 1 temperature 305 . K 4010 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4010 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4010 _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_1 unknown unknown . 0 'spectrometer information not available' . . 4010 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 4010 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4010 _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 TSP methyl . . . . ppm 0.00 internal direct . . . . . . . . . . 4010 1 N 15 . . . . . . . . . . . . . . . . . . . . 4010 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_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4010 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4010 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 N N 15 118.00 0.01 . 1 . . . . . . . . 4010 1 2 . 1 1 2 2 THR H H 1 7.95 0.01 . 1 . . . . . . . . 4010 1 3 . 1 1 2 2 THR HA H 1 4.36 0.01 . 1 . . . . . . . . 4010 1 4 . 1 1 2 2 THR HB H 1 4.74 0.01 . 1 . . . . . . . . 4010 1 5 . 1 1 2 2 THR HG21 H 1 1.2 0.01 . 1 . . . . . . . . 4010 1 6 . 1 1 2 2 THR HG22 H 1 1.2 0.01 . 1 . . . . . . . . 4010 1 7 . 1 1 2 2 THR HG23 H 1 1.2 0.01 . 1 . . . . . . . . 4010 1 8 . 1 1 3 3 SER N N 15 120.8 0.01 . 1 . . . . . . . . 4010 1 9 . 1 1 3 3 SER H H 1 8.47 0.01 . 1 . . . . . . . . 4010 1 10 . 1 1 3 3 SER HA H 1 4.59 0.01 . 1 . . . . . . . . 4010 1 11 . 1 1 3 3 SER HB2 H 1 3.87 0.01 . 2 . . . . . . . . 4010 1 12 . 1 1 3 3 SER HB3 H 1 3.92 0.01 . 2 . . . . . . . . 4010 1 13 . 1 1 4 4 THR N N 15 118.7 0.01 . 1 . . . . . . . . 4010 1 14 . 1 1 4 4 THR H H 1 8.27 0.01 . 1 . . . . . . . . 4010 1 15 . 1 1 4 4 THR HA H 1 4.37 0.01 . 1 . . . . . . . . 4010 1 16 . 1 1 4 4 THR HB H 1 4.64 0.01 . 1 . . . . . . . . 4010 1 17 . 1 1 4 4 THR HG21 H 1 1.23 0.01 . 1 . . . . . . . . 4010 1 18 . 1 1 4 4 THR HG22 H 1 1.23 0.01 . 1 . . . . . . . . 4010 1 19 . 1 1 4 4 THR HG23 H 1 1.23 0.01 . 1 . . . . . . . . 4010 1 20 . 1 1 5 5 LYS N N 15 125.7 0.01 . 1 . . . . . . . . 4010 1 21 . 1 1 5 5 LYS H H 1 8.22 0.01 . 1 . . . . . . . . 4010 1 22 . 1 1 6 6 LYS N N 15 125.00 0.01 . 1 . . . . . . . . 4010 1 23 . 1 1 6 6 LYS H H 1 8.3 0.01 . 1 . . . . . . . . 4010 1 24 . 1 1 6 6 LYS HA H 1 4.35 0.01 . 1 . . . . . . . . 4010 1 25 . 1 1 6 6 LYS HB2 H 1 1.8 0.01 . 1 . . . . . . . . 4010 1 26 . 1 1 6 6 LYS HB3 H 1 1.8 0.01 . 1 . . . . . . . . 4010 1 27 . 1 1 6 6 LYS HG2 H 1 1.46 0.01 . 1 . . . . . . . . 4010 1 28 . 1 1 6 6 LYS HG3 H 1 1.46 0.01 . 1 . . . . . . . . 4010 1 29 . 1 1 6 6 LYS HD2 H 1 2.18 0.01 . 1 . . . . . . . . 4010 1 30 . 1 1 6 6 LYS HD3 H 1 2.18 0.01 . 1 . . . . . . . . 4010 1 31 . 1 1 7 7 LEU N N 15 117.3 0.01 . 1 . . . . . . . . 4010 1 32 . 1 1 7 7 LEU H H 1 8.02 0.01 . 1 . . . . . . . . 4010 1 33 . 1 1 7 7 LEU HA H 1 4.39 0.01 . 1 . . . . . . . . 4010 1 34 . 1 1 7 7 LEU HB2 H 1 1.77 0.01 . 1 . . . . . . . . 4010 1 35 . 1 1 7 7 LEU HB3 H 1 1.77 0.01 . 1 . . . . . . . . 4010 1 36 . 1 1 7 7 LEU HG H 1 1.27 0.01 . 1 . . . . . . . . 4010 1 37 . 1 1 7 7 LEU HD11 H 1 0.83 0.01 . 1 . . . . . . . . 4010 1 38 . 1 1 7 7 LEU HD12 H 1 0.83 0.01 . 1 . . . . . . . . 4010 1 39 . 1 1 7 7 LEU HD13 H 1 0.83 0.01 . 1 . . . . . . . . 4010 1 40 . 1 1 7 7 LEU HD21 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 41 . 1 1 7 7 LEU HD22 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 42 . 1 1 7 7 LEU HD23 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 43 . 1 1 8 8 HIS N N 15 121.00 0.01 . 1 . . . . . . . . 4010 1 44 . 1 1 8 8 HIS H H 1 8.57 0.01 . 1 . . . . . . . . 4010 1 45 . 1 1 8 8 HIS HA H 1 4.85 0.01 . 1 . . . . . . . . 4010 1 46 . 1 1 8 8 HIS HB2 H 1 3.24 0.01 . 2 . . . . . . . . 4010 1 47 . 1 1 8 8 HIS HB3 H 1 3.16 0.01 . 2 . . . . . . . . 4010 1 48 . 1 1 8 8 HIS HD2 H 1 7.3 0.01 . 1 . . . . . . . . 4010 1 49 . 1 1 8 8 HIS HE1 H 1 8.62 0.01 . 1 . . . . . . . . 4010 1 50 . 1 1 9 9 LYS N N 15 125.2 0.01 . 1 . . . . . . . . 4010 1 51 . 1 1 9 9 LYS H H 1 8.27 0.01 . 1 . . . . . . . . 4010 1 52 . 1 1 9 9 LYS HA H 1 4.34 0.01 . 1 . . . . . . . . 4010 1 53 . 1 1 9 9 LYS HB2 H 1 1.84 0.01 . 2 . . . . . . . . 4010 1 54 . 1 1 9 9 LYS HB3 H 1 1.77 0.01 . 2 . . . . . . . . 4010 1 55 . 1 1 9 9 LYS HG2 H 1 1.45 0.01 . 2 . . . . . . . . 4010 1 56 . 1 1 9 9 LYS HG3 H 1 1.41 0.01 . 2 . . . . . . . . 4010 1 57 . 1 1 10 10 GLU N N 15 126.2 0.01 . 1 . . . . . . . . 4010 1 58 . 1 1 10 10 GLU H H 1 8.53 0.01 . 1 . . . . . . . . 4010 1 59 . 1 1 10 10 GLU HA H 1 4.62 0.01 . 1 . . . . . . . . 4010 1 60 . 1 1 10 10 GLU HB2 H 1 1.96 0.01 . 1 . . . . . . . . 4010 1 61 . 1 1 10 10 GLU HB3 H 1 1.96 0.01 . 1 . . . . . . . . 4010 1 62 . 1 1 10 10 GLU HG2 H 1 2.34 0.01 . 1 . . . . . . . . 4010 1 63 . 1 1 10 10 GLU HG3 H 1 2.34 0.01 . 1 . . . . . . . . 4010 1 64 . 1 1 11 11 PRO HA H 1 5.00 0.01 . 1 . . . . . . . . 4010 1 65 . 1 1 11 11 PRO HB2 H 1 2.37 0.01 . 1 . . . . . . . . 4010 1 66 . 1 1 11 11 PRO HB3 H 1 2.37 0.01 . 1 . . . . . . . . 4010 1 67 . 1 1 11 11 PRO HG2 H 1 2.02 0.01 . 1 . . . . . . . . 4010 1 68 . 1 1 11 11 PRO HG3 H 1 2.02 0.01 . 1 . . . . . . . . 4010 1 69 . 1 1 12 12 ALA N N 15 122.3 0.01 . 1 . . . . . . . . 4010 1 70 . 1 1 12 12 ALA H H 1 8.16 0.01 . 1 . . . . . . . . 4010 1 71 . 1 1 12 12 ALA HA H 1 5.04 0.01 . 1 . . . . . . . . 4010 1 72 . 1 1 12 12 ALA HB1 H 1 1.4 0.01 . 1 . . . . . . . . 4010 1 73 . 1 1 12 12 ALA HB2 H 1 1.4 0.01 . 1 . . . . . . . . 4010 1 74 . 1 1 12 12 ALA HB3 H 1 1.4 0.01 . 1 . . . . . . . . 4010 1 75 . 1 1 13 13 THR N N 15 111.2 0.01 . 1 . . . . . . . . 4010 1 76 . 1 1 13 13 THR H H 1 8.06 0.01 . 1 . . . . . . . . 4010 1 77 . 1 1 13 13 THR HA H 1 4.13 0.01 . 1 . . . . . . . . 4010 1 78 . 1 1 13 13 THR HB H 1 4.72 0.01 . 1 . . . . . . . . 4010 1 79 . 1 1 13 13 THR HG21 H 1 1.31 0.01 . 1 . . . . . . . . 4010 1 80 . 1 1 13 13 THR HG22 H 1 1.31 0.01 . 1 . . . . . . . . 4010 1 81 . 1 1 13 13 THR HG23 H 1 1.31 0.01 . 1 . . . . . . . . 4010 1 82 . 1 1 14 14 LEU N N 15 127.5 0.01 . 1 . . . . . . . . 4010 1 83 . 1 1 14 14 LEU H H 1 9.12 0.01 . 1 . . . . . . . . 4010 1 84 . 1 1 14 14 LEU HA H 1 4.17 0.01 . 1 . . . . . . . . 4010 1 85 . 1 1 14 14 LEU HB2 H 1 1.95 0.01 . 1 . . . . . . . . 4010 1 86 . 1 1 14 14 LEU HB3 H 1 1.95 0.01 . 1 . . . . . . . . 4010 1 87 . 1 1 14 14 LEU HG H 1 1.24 0.01 . 1 . . . . . . . . 4010 1 88 . 1 1 14 14 LEU HD11 H 1 0.84 0.01 . 1 . . . . . . . . 4010 1 89 . 1 1 14 14 LEU HD12 H 1 0.84 0.01 . 1 . . . . . . . . 4010 1 90 . 1 1 14 14 LEU HD13 H 1 0.84 0.01 . 1 . . . . . . . . 4010 1 91 . 1 1 14 14 LEU HD21 H 1 0.84 0.01 . 1 . . . . . . . . 4010 1 92 . 1 1 14 14 LEU HD22 H 1 0.84 0.01 . 1 . . . . . . . . 4010 1 93 . 1 1 14 14 LEU HD23 H 1 0.84 0.01 . 1 . . . . . . . . 4010 1 94 . 1 1 15 15 ILE N N 15 127.8 0.01 . 1 . . . . . . . . 4010 1 95 . 1 1 15 15 ILE H H 1 8.37 0.01 . 1 . . . . . . . . 4010 1 96 . 1 1 15 15 ILE HA H 1 4.24 0.01 . 1 . . . . . . . . 4010 1 97 . 1 1 15 15 ILE HB H 1 1.4 0.01 . 1 . . . . . . . . 4010 1 98 . 1 1 15 15 ILE HG12 H 1 1.65 0.01 . 1 . . . . . . . . 4010 1 99 . 1 1 15 15 ILE HG13 H 1 1.65 0.01 . 1 . . . . . . . . 4010 1 100 . 1 1 15 15 ILE HG21 H 1 0.89 0.01 . 1 . . . . . . . . 4010 1 101 . 1 1 15 15 ILE HG22 H 1 0.89 0.01 . 1 . . . . . . . . 4010 1 102 . 1 1 15 15 ILE HG23 H 1 0.89 0.01 . 1 . . . . . . . . 4010 1 103 . 1 1 15 15 ILE HD11 H 1 0.97 0.01 . 1 . . . . . . . . 4010 1 104 . 1 1 15 15 ILE HD12 H 1 0.97 0.01 . 1 . . . . . . . . 4010 1 105 . 1 1 15 15 ILE HD13 H 1 0.97 0.01 . 1 . . . . . . . . 4010 1 106 . 1 1 16 16 LYS N N 15 125.9 0.01 . 1 . . . . . . . . 4010 1 107 . 1 1 16 16 LYS H H 1 8.26 0.01 . 1 . . . . . . . . 4010 1 108 . 1 1 16 16 LYS HA H 1 4.34 0.01 . 1 . . . . . . . . 4010 1 109 . 1 1 16 16 LYS HB2 H 1 1.77 0.01 . 1 . . . . . . . . 4010 1 110 . 1 1 16 16 LYS HB3 H 1 1.77 0.01 . 1 . . . . . . . . 4010 1 111 . 1 1 16 16 LYS HG2 H 1 1.42 0.01 . 1 . . . . . . . . 4010 1 112 . 1 1 16 16 LYS HG3 H 1 1.42 0.01 . 1 . . . . . . . . 4010 1 113 . 1 1 17 17 ALA N N 15 132.8 0.01 . 1 . . . . . . . . 4010 1 114 . 1 1 17 17 ALA H H 1 9.52 0.01 . 1 . . . . . . . . 4010 1 115 . 1 1 17 17 ALA HA H 1 4.59 0.01 . 1 . . . . . . . . 4010 1 116 . 1 1 17 17 ALA HB1 H 1 1.42 0.01 . 1 . . . . . . . . 4010 1 117 . 1 1 17 17 ALA HB2 H 1 1.42 0.01 . 1 . . . . . . . . 4010 1 118 . 1 1 17 17 ALA HB3 H 1 1.42 0.01 . 1 . . . . . . . . 4010 1 119 . 1 1 18 18 ILE N N 15 127.7 0.01 . 1 . . . . . . . . 4010 1 120 . 1 1 18 18 ILE H H 1 7.99 0.01 . 1 . . . . . . . . 4010 1 121 . 1 1 18 18 ILE HA H 1 3.88 0.01 . 1 . . . . . . . . 4010 1 122 . 1 1 18 18 ILE HB H 1 1.6 0.01 . 1 . . . . . . . . 4010 1 123 . 1 1 18 18 ILE HG12 H 1 1.84 0.01 . 1 . . . . . . . . 4010 1 124 . 1 1 18 18 ILE HG13 H 1 1.84 0.01 . 1 . . . . . . . . 4010 1 125 . 1 1 18 18 ILE HG21 H 1 0.85 0.01 . 1 . . . . . . . . 4010 1 126 . 1 1 18 18 ILE HG22 H 1 0.85 0.01 . 1 . . . . . . . . 4010 1 127 . 1 1 18 18 ILE HG23 H 1 0.85 0.01 . 1 . . . . . . . . 4010 1 128 . 1 1 18 18 ILE HD11 H 1 1.09 0.01 . 1 . . . . . . . . 4010 1 129 . 1 1 18 18 ILE HD12 H 1 1.09 0.01 . 1 . . . . . . . . 4010 1 130 . 1 1 18 18 ILE HD13 H 1 1.09 0.01 . 1 . . . . . . . . 4010 1 131 . 1 1 19 19 ASP N N 15 120.1 0.01 . 1 . . . . . . . . 4010 1 132 . 1 1 19 19 ASP H H 1 8.21 0.01 . 1 . . . . . . . . 4010 1 133 . 1 1 19 19 ASP HA H 1 4.53 0.01 . 1 . . . . . . . . 4010 1 134 . 1 1 19 19 ASP HB2 H 1 3.05 0.01 . 2 . . . . . . . . 4010 1 135 . 1 1 19 19 ASP HB3 H 1 2.99 0.01 . 2 . . . . . . . . 4010 1 136 . 1 1 20 20 GLY N N 15 105.6 0.01 . 1 . . . . . . . . 4010 1 137 . 1 1 20 20 GLY H H 1 8.49 0.01 . 1 . . . . . . . . 4010 1 138 . 1 1 20 20 GLY HA2 H 1 3.84 0.01 . 1 . . . . . . . . 4010 1 139 . 1 1 20 20 GLY HA3 H 1 3.84 0.01 . 1 . . . . . . . . 4010 1 140 . 1 1 21 21 ASP N N 15 116.6 0.01 . 1 . . . . . . . . 4010 1 141 . 1 1 21 21 ASP H H 1 8.13 0.01 . 1 . . . . . . . . 4010 1 142 . 1 1 21 21 ASP HA H 1 4.97 0.01 . 1 . . . . . . . . 4010 1 143 . 1 1 21 21 ASP HB2 H 1 2.88 0.01 . 2 . . . . . . . . 4010 1 144 . 1 1 21 21 ASP HB3 H 1 2.58 0.01 . 2 . . . . . . . . 4010 1 145 . 1 1 22 22 THR N N 15 117.7 0.01 . 1 . . . . . . . . 4010 1 146 . 1 1 22 22 THR H H 1 7.62 0.01 . 1 . . . . . . . . 4010 1 147 . 1 1 22 22 THR HA H 1 5.34 0.01 . 1 . . . . . . . . 4010 1 148 . 1 1 22 22 THR HB H 1 3.8 0.01 . 1 . . . . . . . . 4010 1 149 . 1 1 22 22 THR HG21 H 1 1.04 0.01 . 1 . . . . . . . . 4010 1 150 . 1 1 22 22 THR HG22 H 1 1.04 0.01 . 1 . . . . . . . . 4010 1 151 . 1 1 22 22 THR HG23 H 1 1.04 0.01 . 1 . . . . . . . . 4010 1 152 . 1 1 23 23 VAL N N 15 124.3 0.01 . 1 . . . . . . . . 4010 1 153 . 1 1 23 23 VAL H H 1 9.09 0.01 . 1 . . . . . . . . 4010 1 154 . 1 1 23 23 VAL HA H 1 4.7 0.01 . 1 . . . . . . . . 4010 1 155 . 1 1 23 23 VAL HB H 1 1.93 0.01 . 1 . . . . . . . . 4010 1 156 . 1 1 23 23 VAL HG11 H 1 0.84 0.01 . 1 . . . . . . . . 4010 1 157 . 1 1 23 23 VAL HG12 H 1 0.84 0.01 . 1 . . . . . . . . 4010 1 158 . 1 1 23 23 VAL HG13 H 1 0.84 0.01 . 1 . . . . . . . . 4010 1 159 . 1 1 23 23 VAL HG21 H 1 0.84 0.01 . 1 . . . . . . . . 4010 1 160 . 1 1 23 23 VAL HG22 H 1 0.84 0.01 . 1 . . . . . . . . 4010 1 161 . 1 1 23 23 VAL HG23 H 1 0.84 0.01 . 1 . . . . . . . . 4010 1 162 . 1 1 24 24 LYS N N 15 129.9 0.01 . 1 . . . . . . . . 4010 1 163 . 1 1 24 24 LYS H H 1 9.26 0.01 . 1 . . . . . . . . 4010 1 164 . 1 1 24 24 LYS HA H 1 5.5 0.01 . 1 . . . . . . . . 4010 1 165 . 1 1 24 24 LYS HB2 H 1 1.84 0.01 . 1 . . . . . . . . 4010 1 166 . 1 1 24 24 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 4010 1 167 . 1 1 24 24 LYS HG2 H 1 1.43 0.01 . 1 . . . . . . . . 4010 1 168 . 1 1 24 24 LYS HG3 H 1 1.43 0.01 . 1 . . . . . . . . 4010 1 169 . 1 1 24 24 LYS HD2 H 1 0.84 0.01 . 1 . . . . . . . . 4010 1 170 . 1 1 24 24 LYS HD3 H 1 0.84 0.01 . 1 . . . . . . . . 4010 1 171 . 1 1 24 24 LYS HE2 H 1 2.39 0.01 . 1 . . . . . . . . 4010 1 172 . 1 1 24 24 LYS HE3 H 1 2.39 0.01 . 1 . . . . . . . . 4010 1 173 . 1 1 25 25 LEU N N 15 128.3 0.01 . 1 . . . . . . . . 4010 1 174 . 1 1 25 25 LEU H H 1 9.3 0.01 . 1 . . . . . . . . 4010 1 175 . 1 1 25 25 LEU HA H 1 5.26 0.01 . 1 . . . . . . . . 4010 1 176 . 1 1 25 25 LEU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 4010 1 177 . 1 1 25 25 LEU HB3 H 1 1.55 0.01 . 2 . . . . . . . . 4010 1 178 . 1 1 25 25 LEU HG H 1 1.46 0.01 . 1 . . . . . . . . 4010 1 179 . 1 1 25 25 LEU HD11 H 1 0.19 0.01 . 1 . . . . . . . . 4010 1 180 . 1 1 25 25 LEU HD12 H 1 0.19 0.01 . 1 . . . . . . . . 4010 1 181 . 1 1 25 25 LEU HD13 H 1 0.19 0.01 . 1 . . . . . . . . 4010 1 182 . 1 1 25 25 LEU HD21 H 1 0.79 0.01 . 1 . . . . . . . . 4010 1 183 . 1 1 25 25 LEU HD22 H 1 0.79 0.01 . 1 . . . . . . . . 4010 1 184 . 1 1 25 25 LEU HD23 H 1 0.79 0.01 . 1 . . . . . . . . 4010 1 185 . 1 1 26 26 MET N N 15 123.9 0.01 . 1 . . . . . . . . 4010 1 186 . 1 1 26 26 MET H H 1 9.47 0.01 . 1 . . . . . . . . 4010 1 187 . 1 1 26 26 MET HA H 1 4.87 0.01 . 1 . . . . . . . . 4010 1 188 . 1 1 26 26 MET HB2 H 1 2.3 0.01 . 2 . . . . . . . . 4010 1 189 . 1 1 26 26 MET HB3 H 1 2.52 0.01 . 2 . . . . . . . . 4010 1 190 . 1 1 26 26 MET HG2 H 1 1.75 0.01 . 1 . . . . . . . . 4010 1 191 . 1 1 26 26 MET HG3 H 1 1.75 0.01 . 1 . . . . . . . . 4010 1 192 . 1 1 27 27 TYR N N 15 132.3 0.01 . 1 . . . . . . . . 4010 1 193 . 1 1 27 27 TYR H H 1 9.11 0.01 . 1 . . . . . . . . 4010 1 194 . 1 1 27 27 TYR HA H 1 5.01 0.01 . 1 . . . . . . . . 4010 1 195 . 1 1 27 27 TYR HB2 H 1 3.24 0.01 . 2 . . . . . . . . 4010 1 196 . 1 1 27 27 TYR HB3 H 1 2.88 0.01 . 2 . . . . . . . . 4010 1 197 . 1 1 27 27 TYR HE1 H 1 7.32 0.01 . 1 . . . . . . . . 4010 1 198 . 1 1 27 27 TYR HE2 H 1 7.32 0.01 . 1 . . . . . . . . 4010 1 199 . 1 1 27 27 TYR HD1 H 1 6.94 0.01 . 1 . . . . . . . . 4010 1 200 . 1 1 27 27 TYR HD2 H 1 6.94 0.01 . 1 . . . . . . . . 4010 1 201 . 1 1 28 28 LYS N N 15 129.2 0.01 . 1 . . . . . . . . 4010 1 202 . 1 1 28 28 LYS H H 1 9.28 0.01 . 1 . . . . . . . . 4010 1 203 . 1 1 28 28 LYS HA H 1 3.61 0.01 . 1 . . . . . . . . 4010 1 204 . 1 1 28 28 LYS HB2 H 1 1.77 0.01 . 1 . . . . . . . . 4010 1 205 . 1 1 28 28 LYS HB3 H 1 1.77 0.01 . 1 . . . . . . . . 4010 1 206 . 1 1 28 28 LYS HG2 H 1 1.47 0.01 . 1 . . . . . . . . 4010 1 207 . 1 1 28 28 LYS HG3 H 1 1.47 0.01 . 1 . . . . . . . . 4010 1 208 . 1 1 29 29 GLY N N 15 104.3 0.01 . 1 . . . . . . . . 4010 1 209 . 1 1 29 29 GLY H H 1 8.39 0.01 . 1 . . . . . . . . 4010 1 210 . 1 1 29 29 GLY HA2 H 1 4.15 0.01 . 2 . . . . . . . . 4010 1 211 . 1 1 29 29 GLY HA3 H 1 3.59 0.01 . 2 . . . . . . . . 4010 1 212 . 1 1 30 30 GLN N N 15 121.7 0.01 . 1 . . . . . . . . 4010 1 213 . 1 1 30 30 GLN H H 1 7.91 0.01 . 1 . . . . . . . . 4010 1 214 . 1 1 30 30 GLN HA H 1 5.06 0.01 . 1 . . . . . . . . 4010 1 215 . 1 1 30 30 GLN HB2 H 1 2.16 0.01 . 2 . . . . . . . . 4010 1 216 . 1 1 30 30 GLN HB3 H 1 2.08 0.01 . 2 . . . . . . . . 4010 1 217 . 1 1 30 30 GLN HG2 H 1 2.41 0.01 . 1 . . . . . . . . 4010 1 218 . 1 1 30 30 GLN HG3 H 1 2.41 0.01 . 1 . . . . . . . . 4010 1 219 . 1 1 30 30 GLN NE2 N 15 113.6 0.01 . 1 . . . . . . . . 4010 1 220 . 1 1 30 30 GLN HE21 H 1 7.48 0.01 . 1 . . . . . . . . 4010 1 221 . 1 1 30 30 GLN HE22 H 1 6.89 0.01 . 1 . . . . . . . . 4010 1 222 . 1 1 31 31 PRO HA H 1 4.56 0.01 . 1 . . . . . . . . 4010 1 223 . 1 1 31 31 PRO HB2 H 1 1.87 0.01 . 1 . . . . . . . . 4010 1 224 . 1 1 31 31 PRO HB3 H 1 1.87 0.01 . 1 . . . . . . . . 4010 1 225 . 1 1 31 31 PRO HG2 H 1 1.45 0.01 . 1 . . . . . . . . 4010 1 226 . 1 1 31 31 PRO HG3 H 1 1.45 0.01 . 1 . . . . . . . . 4010 1 227 . 1 1 31 31 PRO HD2 H 1 3.96 0.01 . 1 . . . . . . . . 4010 1 228 . 1 1 31 31 PRO HD3 H 1 3.96 0.01 . 1 . . . . . . . . 4010 1 229 . 1 1 32 32 MET N N 15 125.1 0.01 . 1 . . . . . . . . 4010 1 230 . 1 1 32 32 MET H H 1 8.98 0.01 . 1 . . . . . . . . 4010 1 231 . 1 1 32 32 MET HA H 1 5.06 0.01 . 1 . . . . . . . . 4010 1 232 . 1 1 32 32 MET HB2 H 1 2.42 0.01 . 1 . . . . . . . . 4010 1 233 . 1 1 32 32 MET HB3 H 1 2.42 0.01 . 1 . . . . . . . . 4010 1 234 . 1 1 32 32 MET HG2 H 1 2.11 0.01 . 1 . . . . . . . . 4010 1 235 . 1 1 32 32 MET HG3 H 1 2.11 0.01 . 1 . . . . . . . . 4010 1 236 . 1 1 33 33 THR N N 15 119.00 0.01 . 1 . . . . . . . . 4010 1 237 . 1 1 33 33 THR H H 1 8.26 0.01 . 1 . . . . . . . . 4010 1 238 . 1 1 33 33 THR HA H 1 4.64 0.01 . 1 . . . . . . . . 4010 1 239 . 1 1 33 33 THR HB H 1 4.36 0.01 . 1 . . . . . . . . 4010 1 240 . 1 1 33 33 THR HG21 H 1 1.52 0.01 . 1 . . . . . . . . 4010 1 241 . 1 1 33 33 THR HG22 H 1 1.52 0.01 . 1 . . . . . . . . 4010 1 242 . 1 1 33 33 THR HG23 H 1 1.52 0.01 . 1 . . . . . . . . 4010 1 243 . 1 1 34 34 PHE N N 15 127.7 0.01 . 1 . . . . . . . . 4010 1 244 . 1 1 34 34 PHE H H 1 9.3 0.01 . 1 . . . . . . . . 4010 1 245 . 1 1 34 34 PHE HA H 1 5.27 0.01 . 1 . . . . . . . . 4010 1 246 . 1 1 34 34 PHE HB2 H 1 2.7 0.01 . 1 . . . . . . . . 4010 1 247 . 1 1 34 34 PHE HB3 H 1 2.7 0.01 . 1 . . . . . . . . 4010 1 248 . 1 1 34 34 PHE HD1 H 1 6.91 0.01 . 1 . . . . . . . . 4010 1 249 . 1 1 34 34 PHE HD2 H 1 6.91 0.01 . 1 . . . . . . . . 4010 1 250 . 1 1 34 34 PHE HE1 H 1 6.52 0.01 . 1 . . . . . . . . 4010 1 251 . 1 1 34 34 PHE HE2 H 1 6.52 0.01 . 1 . . . . . . . . 4010 1 252 . 1 1 34 34 PHE HZ H 1 6.45 0.01 . 1 . . . . . . . . 4010 1 253 . 1 1 35 35 ARG N N 15 124.2 0.01 . 1 . . . . . . . . 4010 1 254 . 1 1 35 35 ARG H H 1 8.99 0.01 . 1 . . . . . . . . 4010 1 255 . 1 1 35 35 ARG HA H 1 5.31 0.01 . 1 . . . . . . . . 4010 1 256 . 1 1 35 35 ARG HB2 H 1 1.56 0.01 . 1 . . . . . . . . 4010 1 257 . 1 1 35 35 ARG HB3 H 1 1.56 0.01 . 1 . . . . . . . . 4010 1 258 . 1 1 35 35 ARG HG2 H 1 1.42 0.01 . 1 . . . . . . . . 4010 1 259 . 1 1 35 35 ARG HG3 H 1 1.42 0.01 . 1 . . . . . . . . 4010 1 260 . 1 1 35 35 ARG HD2 H 1 2.69 0.01 . 2 . . . . . . . . 4010 1 261 . 1 1 35 35 ARG HD3 H 1 3.11 0.01 . 2 . . . . . . . . 4010 1 262 . 1 1 35 35 ARG NE N 15 86.88 0.01 . 1 . . . . . . . . 4010 1 263 . 1 1 35 35 ARG HE H 1 7.21 0.01 . 1 . . . . . . . . 4010 1 264 . 1 1 36 36 LEU N N 15 127.2 0.01 . 1 . . . . . . . . 4010 1 265 . 1 1 36 36 LEU H H 1 8.53 0.01 . 1 . . . . . . . . 4010 1 266 . 1 1 36 36 LEU HA H 1 4.43 0.01 . 1 . . . . . . . . 4010 1 267 . 1 1 36 36 LEU HG H 1 1.65 0.01 . 1 . . . . . . . . 4010 1 268 . 1 1 36 36 LEU HD11 H 1 0.8 0.01 . 1 . . . . . . . . 4010 1 269 . 1 1 36 36 LEU HD12 H 1 0.8 0.01 . 1 . . . . . . . . 4010 1 270 . 1 1 36 36 LEU HD13 H 1 0.8 0.01 . 1 . . . . . . . . 4010 1 271 . 1 1 36 36 LEU HD21 H 1 0.8 0.01 . 1 . . . . . . . . 4010 1 272 . 1 1 36 36 LEU HD22 H 1 0.8 0.01 . 1 . . . . . . . . 4010 1 273 . 1 1 36 36 LEU HD23 H 1 0.8 0.01 . 1 . . . . . . . . 4010 1 274 . 1 1 37 37 LEU N N 15 127.5 0.01 . 1 . . . . . . . . 4010 1 275 . 1 1 37 37 LEU H H 1 7.49 0.01 . 1 . . . . . . . . 4010 1 276 . 1 1 37 37 LEU HA H 1 4.15 0.01 . 1 . . . . . . . . 4010 1 277 . 1 1 37 37 LEU HB2 H 1 1.09 0.01 . 1 . . . . . . . . 4010 1 278 . 1 1 37 37 LEU HB3 H 1 1.09 0.01 . 1 . . . . . . . . 4010 1 279 . 1 1 37 37 LEU HG H 1 1.48 0.01 . 1 . . . . . . . . 4010 1 280 . 1 1 37 37 LEU HD11 H 1 0.99 0.01 . 1 . . . . . . . . 4010 1 281 . 1 1 37 37 LEU HD12 H 1 0.99 0.01 . 1 . . . . . . . . 4010 1 282 . 1 1 37 37 LEU HD13 H 1 0.99 0.01 . 1 . . . . . . . . 4010 1 283 . 1 1 37 37 LEU HD21 H 1 0.55 0.01 . 1 . . . . . . . . 4010 1 284 . 1 1 37 37 LEU HD22 H 1 0.55 0.01 . 1 . . . . . . . . 4010 1 285 . 1 1 37 37 LEU HD23 H 1 0.55 0.01 . 1 . . . . . . . . 4010 1 286 . 1 1 38 38 LEU N N 15 127.8 0.01 . 1 . . . . . . . . 4010 1 287 . 1 1 38 38 LEU H H 1 9.41 0.01 . 1 . . . . . . . . 4010 1 288 . 1 1 38 38 LEU HA H 1 4.64 0.01 . 1 . . . . . . . . 4010 1 289 . 1 1 38 38 LEU HB2 H 1 2.19 0.01 . 2 . . . . . . . . 4010 1 290 . 1 1 38 38 LEU HB3 H 1 1.93 0.01 . 2 . . . . . . . . 4010 1 291 . 1 1 38 38 LEU HG H 1 1.68 0.01 . 1 . . . . . . . . 4010 1 292 . 1 1 38 38 LEU HD11 H 1 0.75 0.01 . 1 . . . . . . . . 4010 1 293 . 1 1 38 38 LEU HD12 H 1 0.75 0.01 . 1 . . . . . . . . 4010 1 294 . 1 1 38 38 LEU HD13 H 1 0.75 0.01 . 1 . . . . . . . . 4010 1 295 . 1 1 38 38 LEU HD21 H 1 0.75 0.01 . 1 . . . . . . . . 4010 1 296 . 1 1 38 38 LEU HD22 H 1 0.75 0.01 . 1 . . . . . . . . 4010 1 297 . 1 1 38 38 LEU HD23 H 1 0.75 0.01 . 1 . . . . . . . . 4010 1 298 . 1 1 39 39 VAL N N 15 128.4 0.01 . 1 . . . . . . . . 4010 1 299 . 1 1 39 39 VAL H H 1 9.11 0.01 . 1 . . . . . . . . 4010 1 300 . 1 1 39 39 VAL HA H 1 3.92 0.01 . 1 . . . . . . . . 4010 1 301 . 1 1 39 39 VAL HB H 1 1.97 0.01 . 1 . . . . . . . . 4010 1 302 . 1 1 40 40 ASP N N 15 123.1 0.01 . 1 . . . . . . . . 4010 1 303 . 1 1 40 40 ASP H H 1 8.44 0.01 . 1 . . . . . . . . 4010 1 304 . 1 1 40 40 ASP HA H 1 4.36 0.01 . 1 . . . . . . . . 4010 1 305 . 1 1 41 41 THR N N 15 114.4 0.01 . 1 . . . . . . . . 4010 1 306 . 1 1 41 41 THR H H 1 8.04 0.01 . 1 . . . . . . . . 4010 1 307 . 1 1 41 41 THR HA H 1 4.83 0.01 . 1 . . . . . . . . 4010 1 308 . 1 1 41 41 THR HB H 1 1.88 0.01 . 1 . . . . . . . . 4010 1 309 . 1 1 41 41 THR HG21 H 1 1.07 0.01 . 1 . . . . . . . . 4010 1 310 . 1 1 41 41 THR HG22 H 1 1.07 0.01 . 1 . . . . . . . . 4010 1 311 . 1 1 41 41 THR HG23 H 1 1.07 0.01 . 1 . . . . . . . . 4010 1 312 . 1 1 42 42 PRO HA H 1 4.35 0.01 . 1 . . . . . . . . 4010 1 313 . 1 1 42 42 PRO HB2 H 1 2.31 0.01 . 1 . . . . . . . . 4010 1 314 . 1 1 42 42 PRO HB3 H 1 2.31 0.01 . 1 . . . . . . . . 4010 1 315 . 1 1 42 42 PRO HG2 H 1 2.01 0.01 . 1 . . . . . . . . 4010 1 316 . 1 1 42 42 PRO HG3 H 1 2.01 0.01 . 1 . . . . . . . . 4010 1 317 . 1 1 42 42 PRO HD2 H 1 2.59 0.01 . 1 . . . . . . . . 4010 1 318 . 1 1 42 42 PRO HD3 H 1 2.59 0.01 . 1 . . . . . . . . 4010 1 319 . 1 1 43 43 GLU N N 15 120.3 0.01 . 1 . . . . . . . . 4010 1 320 . 1 1 43 43 GLU H H 1 8.4 0.01 . 1 . . . . . . . . 4010 1 321 . 1 1 43 43 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 4010 1 322 . 1 1 43 43 GLU HB2 H 1 2.33 0.01 . 1 . . . . . . . . 4010 1 323 . 1 1 43 43 GLU HB3 H 1 2.33 0.01 . 1 . . . . . . . . 4010 1 324 . 1 1 43 43 GLU HG2 H 1 2.04 0.01 . 1 . . . . . . . . 4010 1 325 . 1 1 43 43 GLU HG3 H 1 2.04 0.01 . 1 . . . . . . . . 4010 1 326 . 1 1 44 44 THR N N 15 116.00 0.01 . 1 . . . . . . . . 4010 1 327 . 1 1 44 44 THR H H 1 7.86 0.01 . 1 . . . . . . . . 4010 1 328 . 1 1 44 44 THR HA H 1 4.28 0.01 . 1 . . . . . . . . 4010 1 329 . 1 1 44 44 THR HB H 1 4.57 0.01 . 1 . . . . . . . . 4010 1 330 . 1 1 44 44 THR HG21 H 1 1.19 0.01 . 1 . . . . . . . . 4010 1 331 . 1 1 44 44 THR HG22 H 1 1.19 0.01 . 1 . . . . . . . . 4010 1 332 . 1 1 44 44 THR HG23 H 1 1.19 0.01 . 1 . . . . . . . . 4010 1 333 . 1 1 45 45 LYS N N 15 124.7 0.01 . 1 . . . . . . . . 4010 1 334 . 1 1 45 45 LYS H H 1 8.12 0.01 . 1 . . . . . . . . 4010 1 335 . 1 1 45 45 LYS HA H 1 4.32 0.01 . 1 . . . . . . . . 4010 1 336 . 1 1 45 45 LYS HB2 H 1 1.69 0.01 . 1 . . . . . . . . 4010 1 337 . 1 1 45 45 LYS HB3 H 1 1.69 0.01 . 1 . . . . . . . . 4010 1 338 . 1 1 45 45 LYS HG2 H 1 1.43 0.01 . 1 . . . . . . . . 4010 1 339 . 1 1 45 45 LYS HG3 H 1 1.43 0.01 . 1 . . . . . . . . 4010 1 340 . 1 1 46 46 HIS N N 15 120.5 0.01 . 1 . . . . . . . . 4010 1 341 . 1 1 46 46 HIS H H 1 8.29 0.01 . 1 . . . . . . . . 4010 1 342 . 1 1 46 46 HIS HA H 1 5.02 0.01 . 1 . . . . . . . . 4010 1 343 . 1 1 46 46 HIS HB2 H 1 3.18 0.01 . 1 . . . . . . . . 4010 1 344 . 1 1 46 46 HIS HB3 H 1 3.18 0.01 . 1 . . . . . . . . 4010 1 345 . 1 1 47 47 PRO HA H 1 4.57 0.01 . 1 . . . . . . . . 4010 1 346 . 1 1 48 48 LYS N N 15 124.4 0.01 . 1 . . . . . . . . 4010 1 347 . 1 1 48 48 LYS H H 1 8.34 0.01 . 1 . . . . . . . . 4010 1 348 . 1 1 48 48 LYS HA H 1 4.35 0.01 . 1 . . . . . . . . 4010 1 349 . 1 1 48 48 LYS HB2 H 1 1.8 0.01 . 1 . . . . . . . . 4010 1 350 . 1 1 48 48 LYS HB3 H 1 1.8 0.01 . 1 . . . . . . . . 4010 1 351 . 1 1 48 48 LYS HG2 H 1 1.46 0.01 . 1 . . . . . . . . 4010 1 352 . 1 1 48 48 LYS HG3 H 1 1.46 0.01 . 1 . . . . . . . . 4010 1 353 . 1 1 48 48 LYS HD2 H 1 2.18 0.01 . 1 . . . . . . . . 4010 1 354 . 1 1 48 48 LYS HD3 H 1 2.18 0.01 . 1 . . . . . . . . 4010 1 355 . 1 1 49 49 LYS N N 15 124.00 0.01 . 1 . . . . . . . . 4010 1 356 . 1 1 49 49 LYS H H 1 8.49 0.01 . 1 . . . . . . . . 4010 1 357 . 1 1 49 49 LYS HA H 1 4.34 0.01 . 1 . . . . . . . . 4010 1 358 . 1 1 49 49 LYS HB2 H 1 1.81 0.01 . 1 . . . . . . . . 4010 1 359 . 1 1 49 49 LYS HB3 H 1 1.81 0.01 . 1 . . . . . . . . 4010 1 360 . 1 1 49 49 LYS HG2 H 1 1.48 0.01 . 1 . . . . . . . . 4010 1 361 . 1 1 49 49 LYS HG3 H 1 1.48 0.01 . 1 . . . . . . . . 4010 1 362 . 1 1 49 49 LYS HD2 H 1 2.32 0.01 . 1 . . . . . . . . 4010 1 363 . 1 1 49 49 LYS HD3 H 1 2.32 0.01 . 1 . . . . . . . . 4010 1 364 . 1 1 49 49 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . 4010 1 365 . 1 1 49 49 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 4010 1 366 . 1 1 50 50 GLY N N 15 112.8 0.01 . 1 . . . . . . . . 4010 1 367 . 1 1 50 50 GLY H H 1 8.47 0.01 . 1 . . . . . . . . 4010 1 368 . 1 1 50 50 GLY HA2 H 1 4.01 0.01 . 2 . . . . . . . . 4010 1 369 . 1 1 50 50 GLY HA3 H 1 3.97 0.01 . 2 . . . . . . . . 4010 1 370 . 1 1 51 51 VAL N N 15 120.8 0.01 . 9 . . . . . . . . 4010 1 371 . 1 1 51 51 VAL H H 1 7.96 0.01 . 9 . . . . . . . . 4010 1 372 . 1 1 51 51 VAL HA H 1 4.16 0.01 . 9 . . . . . . . . 4010 1 373 . 1 1 51 51 VAL HB H 1 2.11 0.01 . 9 . . . . . . . . 4010 1 374 . 1 1 51 51 VAL HG11 H 1 0.94 0.01 . 1 . . . . . . . . 4010 1 375 . 1 1 51 51 VAL HG12 H 1 0.94 0.01 . 1 . . . . . . . . 4010 1 376 . 1 1 51 51 VAL HG13 H 1 0.94 0.01 . 1 . . . . . . . . 4010 1 377 . 1 1 51 51 VAL HG21 H 1 0.94 0.01 . 1 . . . . . . . . 4010 1 378 . 1 1 51 51 VAL HG22 H 1 0.94 0.01 . 1 . . . . . . . . 4010 1 379 . 1 1 51 51 VAL HG23 H 1 0.94 0.01 . 1 . . . . . . . . 4010 1 380 . 1 1 52 52 GLU N N 15 126.1 0.01 . 1 . . . . . . . . 4010 1 381 . 1 1 52 52 GLU H H 1 8.49 0.01 . 1 . . . . . . . . 4010 1 382 . 1 1 52 52 GLU HA H 1 4.29 0.01 . 1 . . . . . . . . 4010 1 383 . 1 1 52 52 GLU HB2 H 1 1.96 0.01 . 1 . . . . . . . . 4010 1 384 . 1 1 52 52 GLU HB3 H 1 1.96 0.01 . 1 . . . . . . . . 4010 1 385 . 1 1 52 52 GLU HG2 H 1 2.29 0.01 . 1 . . . . . . . . 4010 1 386 . 1 1 52 52 GLU HG3 H 1 2.29 0.01 . 1 . . . . . . . . 4010 1 387 . 1 1 53 53 LYS N N 15 123.7 0.01 . 1 . . . . . . . . 4010 1 388 . 1 1 53 53 LYS H H 1 8.13 0.01 . 1 . . . . . . . . 4010 1 389 . 1 1 53 53 LYS HA H 1 4.25 0.01 . 1 . . . . . . . . 4010 1 390 . 1 1 53 53 LYS HB2 H 1 1.7 0.01 . 1 . . . . . . . . 4010 1 391 . 1 1 53 53 LYS HB3 H 1 1.7 0.01 . 1 . . . . . . . . 4010 1 392 . 1 1 53 53 LYS HG2 H 1 1.38 0.01 . 1 . . . . . . . . 4010 1 393 . 1 1 53 53 LYS HG3 H 1 1.38 0.01 . 1 . . . . . . . . 4010 1 394 . 1 1 54 54 TYR N N 15 122.00 0.01 . 1 . . . . . . . . 4010 1 395 . 1 1 54 54 TYR H H 1 8.13 0.01 . 1 . . . . . . . . 4010 1 396 . 1 1 54 54 TYR HA H 1 4.66 0.01 . 1 . . . . . . . . 4010 1 397 . 1 1 54 54 TYR HB2 H 1 3.11 0.01 . 2 . . . . . . . . 4010 1 398 . 1 1 54 54 TYR HB3 H 1 2.97 0.01 . 2 . . . . . . . . 4010 1 399 . 1 1 54 54 TYR HD1 H 1 7.11 0.01 . 1 . . . . . . . . 4010 1 400 . 1 1 54 54 TYR HD2 H 1 7.11 0.01 . 1 . . . . . . . . 4010 1 401 . 1 1 54 54 TYR HE1 H 1 6.81 0.01 . 1 . . . . . . . . 4010 1 402 . 1 1 54 54 TYR HE2 H 1 6.81 0.01 . 1 . . . . . . . . 4010 1 403 . 1 1 55 55 GLY N N 15 112.4 0.01 . 1 . . . . . . . . 4010 1 404 . 1 1 55 55 GLY H H 1 8.26 0.01 . 1 . . . . . . . . 4010 1 405 . 1 1 55 55 GLY HA2 H 1 4.17 0.01 . 1 . . . . . . . . 4010 1 406 . 1 1 55 55 GLY HA3 H 1 4.17 0.01 . 1 . . . . . . . . 4010 1 407 . 1 1 56 56 PRO HA H 1 4.27 0.01 . 1 . . . . . . . . 4010 1 408 . 1 1 56 56 PRO HB2 H 1 2.33 0.01 . 1 . . . . . . . . 4010 1 409 . 1 1 56 56 PRO HB3 H 1 2.33 0.01 . 1 . . . . . . . . 4010 1 410 . 1 1 56 56 PRO HG2 H 1 2.05 0.01 . 1 . . . . . . . . 4010 1 411 . 1 1 56 56 PRO HG3 H 1 2.05 0.01 . 1 . . . . . . . . 4010 1 412 . 1 1 56 56 PRO HD2 H 1 3.7 0.01 . 1 . . . . . . . . 4010 1 413 . 1 1 56 56 PRO HD3 H 1 3.7 0.01 . 1 . . . . . . . . 4010 1 414 . 1 1 57 57 GLU N N 15 121.2 0.01 . 1 . . . . . . . . 4010 1 415 . 1 1 57 57 GLU H H 1 8.64 0.01 . 1 . . . . . . . . 4010 1 416 . 1 1 57 57 GLU HA H 1 4.26 0.01 . 1 . . . . . . . . 4010 1 417 . 1 1 57 57 GLU HB2 H 1 2.38 0.01 . 1 . . . . . . . . 4010 1 418 . 1 1 57 57 GLU HB3 H 1 2.38 0.01 . 1 . . . . . . . . 4010 1 419 . 1 1 57 57 GLU HG2 H 1 2.08 0.01 . 1 . . . . . . . . 4010 1 420 . 1 1 57 57 GLU HG3 H 1 2.08 0.01 . 1 . . . . . . . . 4010 1 421 . 1 1 58 58 ALA N N 15 124.6 0.01 . 1 . . . . . . . . 4010 1 422 . 1 1 58 58 ALA H H 1 7.91 0.01 . 1 . . . . . . . . 4010 1 423 . 1 1 58 58 ALA HA H 1 4.45 0.01 . 1 . . . . . . . . 4010 1 424 . 1 1 58 58 ALA HB1 H 1 1.44 0.01 . 1 . . . . . . . . 4010 1 425 . 1 1 58 58 ALA HB2 H 1 1.44 0.01 . 1 . . . . . . . . 4010 1 426 . 1 1 58 58 ALA HB3 H 1 1.44 0.01 . 1 . . . . . . . . 4010 1 427 . 1 1 59 59 SER N N 15 115.6 0.01 . 1 . . . . . . . . 4010 1 428 . 1 1 59 59 SER H H 1 8.12 0.01 . 1 . . . . . . . . 4010 1 429 . 1 1 59 59 SER HA H 1 4.23 0.01 . 1 . . . . . . . . 4010 1 430 . 1 1 59 59 SER HB2 H 1 3.94 0.01 . 1 . . . . . . . . 4010 1 431 . 1 1 59 59 SER HB3 H 1 3.94 0.01 . 1 . . . . . . . . 4010 1 432 . 1 1 60 60 ALA N N 15 126.00 0.01 . 1 . . . . . . . . 4010 1 433 . 1 1 60 60 ALA H H 1 8.11 0.01 . 1 . . . . . . . . 4010 1 434 . 1 1 60 60 ALA HA H 1 4.35 0.01 . 1 . . . . . . . . 4010 1 435 . 1 1 60 60 ALA HB1 H 1 1.44 0.01 . 1 . . . . . . . . 4010 1 436 . 1 1 60 60 ALA HB2 H 1 1.44 0.01 . 1 . . . . . . . . 4010 1 437 . 1 1 60 60 ALA HB3 H 1 1.44 0.01 . 1 . . . . . . . . 4010 1 438 . 1 1 61 61 PHE N N 15 121.7 0.01 . 1 . . . . . . . . 4010 1 439 . 1 1 61 61 PHE H H 1 8.09 0.01 . 1 . . . . . . . . 4010 1 440 . 1 1 61 61 PHE HA H 1 4.28 0.01 . 1 . . . . . . . . 4010 1 441 . 1 1 61 61 PHE HB2 H 1 3.22 0.01 . 1 . . . . . . . . 4010 1 442 . 1 1 61 61 PHE HB3 H 1 3.22 0.01 . 1 . . . . . . . . 4010 1 443 . 1 1 61 61 PHE HD1 H 1 7.27 0.01 . 1 . . . . . . . . 4010 1 444 . 1 1 61 61 PHE HD2 H 1 7.27 0.01 . 1 . . . . . . . . 4010 1 445 . 1 1 61 61 PHE HE1 H 1 7.4 0.01 . 1 . . . . . . . . 4010 1 446 . 1 1 61 61 PHE HE2 H 1 7.4 0.01 . 1 . . . . . . . . 4010 1 447 . 1 1 61 61 PHE HZ H 1 7.33 0.01 . 1 . . . . . . . . 4010 1 448 . 1 1 62 62 THR N N 15 117.00 0.01 . 1 . . . . . . . . 4010 1 449 . 1 1 62 62 THR H H 1 8.18 0.01 . 1 . . . . . . . . 4010 1 450 . 1 1 62 62 THR HA H 1 3.71 0.01 . 1 . . . . . . . . 4010 1 451 . 1 1 62 62 THR HB H 1 4.08 0.01 . 1 . . . . . . . . 4010 1 452 . 1 1 62 62 THR HG21 H 1 1.2 0.01 . 1 . . . . . . . . 4010 1 453 . 1 1 62 62 THR HG22 H 1 1.2 0.01 . 1 . . . . . . . . 4010 1 454 . 1 1 62 62 THR HG23 H 1 1.2 0.01 . 1 . . . . . . . . 4010 1 455 . 1 1 63 63 LYS N N 15 122.8 0.01 . 1 . . . . . . . . 4010 1 456 . 1 1 63 63 LYS H H 1 7.66 0.01 . 1 . . . . . . . . 4010 1 457 . 1 1 63 63 LYS HA H 1 3.72 0.01 . 1 . . . . . . . . 4010 1 458 . 1 1 63 63 LYS HB2 H 1 1.8 0.01 . 1 . . . . . . . . 4010 1 459 . 1 1 63 63 LYS HB3 H 1 1.8 0.01 . 1 . . . . . . . . 4010 1 460 . 1 1 63 63 LYS HG2 H 1 1.23 0.01 . 1 . . . . . . . . 4010 1 461 . 1 1 63 63 LYS HG3 H 1 1.23 0.01 . 1 . . . . . . . . 4010 1 462 . 1 1 64 64 LYS N N 15 118.5 0.01 . 1 . . . . . . . . 4010 1 463 . 1 1 64 64 LYS H H 1 7.75 0.01 . 1 . . . . . . . . 4010 1 464 . 1 1 64 64 LYS HA H 1 3.98 0.01 . 1 . . . . . . . . 4010 1 465 . 1 1 64 64 LYS HB2 H 1 1.95 0.01 . 1 . . . . . . . . 4010 1 466 . 1 1 64 64 LYS HB3 H 1 1.95 0.01 . 1 . . . . . . . . 4010 1 467 . 1 1 64 64 LYS HG2 H 1 1.32 0.01 . 1 . . . . . . . . 4010 1 468 . 1 1 64 64 LYS HG3 H 1 1.32 0.01 . 1 . . . . . . . . 4010 1 469 . 1 1 64 64 LYS HD2 H 1 0.82 0.01 . 1 . . . . . . . . 4010 1 470 . 1 1 64 64 LYS HD3 H 1 0.82 0.01 . 1 . . . . . . . . 4010 1 471 . 1 1 65 65 MET N N 15 118.1 0.01 . 1 . . . . . . . . 4010 1 472 . 1 1 65 65 MET H H 1 7.52 0.01 . 1 . . . . . . . . 4010 1 473 . 1 1 65 65 MET HA H 1 4.27 0.01 . 1 . . . . . . . . 4010 1 474 . 1 1 65 65 MET HB2 H 1 2.06 0.01 . 1 . . . . . . . . 4010 1 475 . 1 1 65 65 MET HB3 H 1 2.06 0.01 . 1 . . . . . . . . 4010 1 476 . 1 1 65 65 MET HG2 H 1 2.43 0.01 . 1 . . . . . . . . 4010 1 477 . 1 1 65 65 MET HG3 H 1 2.43 0.01 . 1 . . . . . . . . 4010 1 478 . 1 1 66 66 LEU N N 15 120.1 0.01 . 1 . . . . . . . . 4010 1 479 . 1 1 66 66 LEU H H 1 8.2 0.01 . 1 . . . . . . . . 4010 1 480 . 1 1 66 66 LEU HA H 1 3.94 0.01 . 1 . . . . . . . . 4010 1 481 . 1 1 66 66 LEU HD11 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 482 . 1 1 66 66 LEU HD12 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 483 . 1 1 66 66 LEU HD13 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 484 . 1 1 66 66 LEU HD21 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 485 . 1 1 66 66 LEU HD22 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 486 . 1 1 66 66 LEU HD23 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 487 . 1 1 67 67 GLU N N 15 119.6 0.01 . 1 . . . . . . . . 4010 1 488 . 1 1 67 67 GLU H H 1 8.52 0.01 . 1 . . . . . . . . 4010 1 489 . 1 1 67 67 GLU HA H 1 3.88 0.01 . 1 . . . . . . . . 4010 1 490 . 1 1 67 67 GLU HB2 H 1 2.07 0.01 . 1 . . . . . . . . 4010 1 491 . 1 1 67 67 GLU HB3 H 1 2.07 0.01 . 1 . . . . . . . . 4010 1 492 . 1 1 67 67 GLU HG2 H 1 2.52 0.01 . 1 . . . . . . . . 4010 1 493 . 1 1 67 67 GLU HG3 H 1 2.52 0.01 . 1 . . . . . . . . 4010 1 494 . 1 1 68 68 ASN N N 15 115.6 0.01 . 1 . . . . . . . . 4010 1 495 . 1 1 68 68 ASN H H 1 7.57 0.01 . 1 . . . . . . . . 4010 1 496 . 1 1 68 68 ASN HA H 1 4.76 0.01 . 1 . . . . . . . . 4010 1 497 . 1 1 68 68 ASN HB2 H 1 2.86 0.01 . 1 . . . . . . . . 4010 1 498 . 1 1 68 68 ASN HB3 H 1 2.86 0.01 . 1 . . . . . . . . 4010 1 499 . 1 1 68 68 ASN ND2 N 15 115.00 0.01 . 1 . . . . . . . . 4010 1 500 . 1 1 68 68 ASN HD21 H 1 7.68 0.01 . 1 . . . . . . . . 4010 1 501 . 1 1 68 68 ASN HD22 H 1 6.98 0.01 . 1 . . . . . . . . 4010 1 502 . 1 1 69 69 ALA N N 15 124.6 0.01 . 1 . . . . . . . . 4010 1 503 . 1 1 69 69 ALA H H 1 6.97 0.01 . 1 . . . . . . . . 4010 1 504 . 1 1 69 69 ALA HA H 1 4.49 0.01 . 1 . . . . . . . . 4010 1 505 . 1 1 69 69 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 4010 1 506 . 1 1 69 69 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 4010 1 507 . 1 1 69 69 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 4010 1 508 . 1 1 70 70 LYS N N 15 127.1 0.01 . 1 . . . . . . . . 4010 1 509 . 1 1 70 70 LYS H H 1 10.09 0.01 . 1 . . . . . . . . 4010 1 510 . 1 1 70 70 LYS HA H 1 4.42 0.01 . 1 . . . . . . . . 4010 1 511 . 1 1 70 70 LYS HB2 H 1 2.06 0.01 . 2 . . . . . . . . 4010 1 512 . 1 1 70 70 LYS HB3 H 1 1.93 0.01 . 2 . . . . . . . . 4010 1 513 . 1 1 70 70 LYS HG2 H 1 1.6 0.01 . 1 . . . . . . . . 4010 1 514 . 1 1 70 70 LYS HG3 H 1 1.6 0.01 . 1 . . . . . . . . 4010 1 515 . 1 1 71 71 LYS N N 15 123.7 0.01 . 1 . . . . . . . . 4010 1 516 . 1 1 71 71 LYS H H 1 8.87 0.01 . 1 . . . . . . . . 4010 1 517 . 1 1 71 71 LYS HA H 1 4.66 0.01 . 1 . . . . . . . . 4010 1 518 . 1 1 71 71 LYS HB2 H 1 1.8 0.01 . 1 . . . . . . . . 4010 1 519 . 1 1 71 71 LYS HB3 H 1 1.8 0.01 . 1 . . . . . . . . 4010 1 520 . 1 1 72 72 ILE N N 15 130.9 0.01 . 1 . . . . . . . . 4010 1 521 . 1 1 72 72 ILE H H 1 8.92 0.01 . 1 . . . . . . . . 4010 1 522 . 1 1 72 72 ILE HA H 1 5.25 0.01 . 1 . . . . . . . . 4010 1 523 . 1 1 72 72 ILE HB H 1 1.86 0.01 . 1 . . . . . . . . 4010 1 524 . 1 1 72 72 ILE HG12 H 1 1.56 0.01 . 2 . . . . . . . . 4010 1 525 . 1 1 72 72 ILE HG13 H 1 1.45 0.01 . 2 . . . . . . . . 4010 1 526 . 1 1 72 72 ILE HG21 H 1 0.69 0.01 . 1 . . . . . . . . 4010 1 527 . 1 1 72 72 ILE HG22 H 1 0.69 0.01 . 1 . . . . . . . . 4010 1 528 . 1 1 72 72 ILE HG23 H 1 0.69 0.01 . 1 . . . . . . . . 4010 1 529 . 1 1 72 72 ILE HD11 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 530 . 1 1 72 72 ILE HD12 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 531 . 1 1 72 72 ILE HD13 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 532 . 1 1 73 73 GLU N N 15 125.8 0.01 . 1 . . . . . . . . 4010 1 533 . 1 1 73 73 GLU H H 1 8.84 0.01 . 1 . . . . . . . . 4010 1 534 . 1 1 73 73 GLU HA H 1 5.31 0.01 . 1 . . . . . . . . 4010 1 535 . 1 1 73 73 GLU HB2 H 1 1.84 0.01 . 1 . . . . . . . . 4010 1 536 . 1 1 73 73 GLU HB3 H 1 1.84 0.01 . 1 . . . . . . . . 4010 1 537 . 1 1 73 73 GLU HG2 H 1 2.02 0.01 . 1 . . . . . . . . 4010 1 538 . 1 1 73 73 GLU HG3 H 1 2.02 0.01 . 1 . . . . . . . . 4010 1 539 . 1 1 74 74 VAL N N 15 119.3 0.01 . 1 . . . . . . . . 4010 1 540 . 1 1 74 74 VAL H H 1 9.59 0.01 . 1 . . . . . . . . 4010 1 541 . 1 1 74 74 VAL HA H 1 5.18 0.01 . 1 . . . . . . . . 4010 1 542 . 1 1 74 74 VAL HB H 1 1.48 0.01 . 1 . . . . . . . . 4010 1 543 . 1 1 74 74 VAL HG11 H 1 0.44 0.01 . 1 . . . . . . . . 4010 1 544 . 1 1 74 74 VAL HG12 H 1 0.44 0.01 . 1 . . . . . . . . 4010 1 545 . 1 1 74 74 VAL HG13 H 1 0.44 0.01 . 1 . . . . . . . . 4010 1 546 . 1 1 74 74 VAL HG21 H 1 0.3 0.01 . 1 . . . . . . . . 4010 1 547 . 1 1 74 74 VAL HG22 H 1 0.3 0.01 . 1 . . . . . . . . 4010 1 548 . 1 1 74 74 VAL HG23 H 1 0.3 0.01 . 1 . . . . . . . . 4010 1 549 . 1 1 75 75 GLU N N 15 127.3 0.01 . 1 . . . . . . . . 4010 1 550 . 1 1 75 75 GLU H H 1 9.02 0.01 . 1 . . . . . . . . 4010 1 551 . 1 1 75 75 GLU HA H 1 5.00 0.01 . 1 . . . . . . . . 4010 1 552 . 1 1 75 75 GLU HB2 H 1 2.28 0.01 . 2 . . . . . . . . 4010 1 553 . 1 1 75 75 GLU HB3 H 1 2.2 0.01 . 2 . . . . . . . . 4010 1 554 . 1 1 76 76 PHE N N 15 124.4 0.01 . 1 . . . . . . . . 4010 1 555 . 1 1 76 76 PHE H H 1 8.55 0.01 . 1 . . . . . . . . 4010 1 556 . 1 1 76 76 PHE HA H 1 5.04 0.01 . 1 . . . . . . . . 4010 1 557 . 1 1 76 76 PHE HB2 H 1 3.29 0.01 . 2 . . . . . . . . 4010 1 558 . 1 1 76 76 PHE HB3 H 1 3.05 0.01 . 2 . . . . . . . . 4010 1 559 . 1 1 76 76 PHE HD1 H 1 7.08 0.01 . 1 . . . . . . . . 4010 1 560 . 1 1 76 76 PHE HD2 H 1 7.08 0.01 . 1 . . . . . . . . 4010 1 561 . 1 1 76 76 PHE HE1 H 1 6.9 0.01 . 1 . . . . . . . . 4010 1 562 . 1 1 76 76 PHE HE2 H 1 6.9 0.01 . 1 . . . . . . . . 4010 1 563 . 1 1 77 77 ASP N N 15 123.2 0.01 . 1 . . . . . . . . 4010 1 564 . 1 1 77 77 ASP H H 1 8.9 0.01 . 1 . . . . . . . . 4010 1 565 . 1 1 77 77 ASP HA H 1 4.69 0.01 . 1 . . . . . . . . 4010 1 566 . 1 1 77 77 ASP HB2 H 1 2.91 0.01 . 2 . . . . . . . . 4010 1 567 . 1 1 77 77 ASP HB3 H 1 2.61 0.01 . 2 . . . . . . . . 4010 1 568 . 1 1 78 78 LYS N N 15 127.6 0.01 . 1 . . . . . . . . 4010 1 569 . 1 1 78 78 LYS H H 1 8.67 0.01 . 1 . . . . . . . . 4010 1 570 . 1 1 78 78 LYS HA H 1 4.25 0.01 . 1 . . . . . . . . 4010 1 571 . 1 1 78 78 LYS HB2 H 1 1.92 0.01 . 1 . . . . . . . . 4010 1 572 . 1 1 78 78 LYS HB3 H 1 1.92 0.01 . 1 . . . . . . . . 4010 1 573 . 1 1 78 78 LYS HG2 H 1 1.49 0.01 . 1 . . . . . . . . 4010 1 574 . 1 1 78 78 LYS HG3 H 1 1.49 0.01 . 1 . . . . . . . . 4010 1 575 . 1 1 79 79 GLY N N 15 110.00 0.01 . 1 . . . . . . . . 4010 1 576 . 1 1 79 79 GLY H H 1 8.58 0.01 . 1 . . . . . . . . 4010 1 577 . 1 1 79 79 GLY HA2 H 1 4.14 0.01 . 1 . . . . . . . . 4010 1 578 . 1 1 79 79 GLY HA3 H 1 3.85 0.01 . 1 . . . . . . . . 4010 1 579 . 1 1 80 80 GLN N N 15 121.6 0.01 . 1 . . . . . . . . 4010 1 580 . 1 1 80 80 GLN H H 1 7.75 0.01 . 1 . . . . . . . . 4010 1 581 . 1 1 80 80 GLN HA H 1 4.28 0.01 . 1 . . . . . . . . 4010 1 582 . 1 1 80 80 GLN HB2 H 1 2.15 0.01 . 1 . . . . . . . . 4010 1 583 . 1 1 80 80 GLN HB3 H 1 2.15 0.01 . 1 . . . . . . . . 4010 1 584 . 1 1 80 80 GLN HG2 H 1 2.34 0.01 . 1 . . . . . . . . 4010 1 585 . 1 1 80 80 GLN HG3 H 1 2.34 0.01 . 1 . . . . . . . . 4010 1 586 . 1 1 80 80 GLN NE2 N 15 114.00 0.01 . 1 . . . . . . . . 4010 1 587 . 1 1 80 80 GLN HE21 H 1 7.59 0.01 . 1 . . . . . . . . 4010 1 588 . 1 1 80 80 GLN HE22 H 1 7.01 0.01 . 1 . . . . . . . . 4010 1 589 . 1 1 81 81 ARG N N 15 124.6 0.01 . 1 . . . . . . . . 4010 1 590 . 1 1 81 81 ARG H H 1 8.41 0.01 . 1 . . . . . . . . 4010 1 591 . 1 1 81 81 ARG HA H 1 4.48 0.01 . 1 . . . . . . . . 4010 1 592 . 1 1 81 81 ARG HB2 H 1 1.85 0.01 . 1 . . . . . . . . 4010 1 593 . 1 1 81 81 ARG HB3 H 1 1.85 0.01 . 1 . . . . . . . . 4010 1 594 . 1 1 81 81 ARG HG2 H 1 2.29 0.01 . 1 . . . . . . . . 4010 1 595 . 1 1 81 81 ARG HG3 H 1 2.29 0.01 . 1 . . . . . . . . 4010 1 596 . 1 1 81 81 ARG HD2 H 1 3.03 0.01 . 2 . . . . . . . . 4010 1 597 . 1 1 81 81 ARG HD3 H 1 3.22 0.01 . 2 . . . . . . . . 4010 1 598 . 1 1 81 81 ARG NE N 15 87.00 0.01 . 1 . . . . . . . . 4010 1 599 . 1 1 81 81 ARG HE H 1 7.28 0.01 . 1 . . . . . . . . 4010 1 600 . 1 1 82 82 THR N N 15 117.7 0.01 . 1 . . . . . . . . 4010 1 601 . 1 1 82 82 THR H H 1 8.11 0.01 . 1 . . . . . . . . 4010 1 602 . 1 1 82 82 THR HA H 1 4.34 0.01 . 1 . . . . . . . . 4010 1 603 . 1 1 82 82 THR HB H 1 4.72 0.01 . 1 . . . . . . . . 4010 1 604 . 1 1 82 82 THR HG21 H 1 1.23 0.01 . 1 . . . . . . . . 4010 1 605 . 1 1 82 82 THR HG22 H 1 1.23 0.01 . 1 . . . . . . . . 4010 1 606 . 1 1 82 82 THR HG23 H 1 1.23 0.01 . 1 . . . . . . . . 4010 1 607 . 1 1 83 83 ASP N N 15 122.1 0.01 . 1 . . . . . . . . 4010 1 608 . 1 1 83 83 ASP H H 1 8.44 0.01 . 1 . . . . . . . . 4010 1 609 . 1 1 83 83 ASP HA H 1 4.66 0.01 . 1 . . . . . . . . 4010 1 610 . 1 1 83 83 ASP HB2 H 1 2.74 0.01 . 1 . . . . . . . . 4010 1 611 . 1 1 83 83 ASP HB3 H 1 2.74 0.01 . 1 . . . . . . . . 4010 1 612 . 1 1 84 84 LYS N N 15 125.2 0.01 . 1 . . . . . . . . 4010 1 613 . 1 1 84 84 LYS H H 1 8.16 0.01 . 1 . . . . . . . . 4010 1 614 . 1 1 84 84 LYS HA H 1 4.35 0.01 . 1 . . . . . . . . 4010 1 615 . 1 1 84 84 LYS HB2 H 1 1.61 0.01 . 1 . . . . . . . . 4010 1 616 . 1 1 84 84 LYS HB3 H 1 1.61 0.01 . 1 . . . . . . . . 4010 1 617 . 1 1 85 85 TYR N N 15 126.4 0.01 . 1 . . . . . . . . 4010 1 618 . 1 1 85 85 TYR H H 1 8.39 0.01 . 1 . . . . . . . . 4010 1 619 . 1 1 85 85 TYR HA H 1 4.78 0.01 . 1 . . . . . . . . 4010 1 620 . 1 1 85 85 TYR HB2 H 1 2.71 0.01 . 2 . . . . . . . . 4010 1 621 . 1 1 85 85 TYR HB3 H 1 2.61 0.01 . 2 . . . . . . . . 4010 1 622 . 1 1 85 85 TYR HD1 H 1 7.06 0.01 . 1 . . . . . . . . 4010 1 623 . 1 1 85 85 TYR HD2 H 1 7.06 0.01 . 1 . . . . . . . . 4010 1 624 . 1 1 85 85 TYR HE1 H 1 6.82 0.01 . 1 . . . . . . . . 4010 1 625 . 1 1 85 85 TYR HE2 H 1 6.82 0.01 . 1 . . . . . . . . 4010 1 626 . 1 1 86 86 GLY N N 15 110.6 0.01 . 1 . . . . . . . . 4010 1 627 . 1 1 86 86 GLY H H 1 8.12 0.01 . 1 . . . . . . . . 4010 1 628 . 1 1 86 86 GLY HA2 H 1 4.17 0.01 . 2 . . . . . . . . 4010 1 629 . 1 1 86 86 GLY HA3 H 1 3.7 0.01 . 2 . . . . . . . . 4010 1 630 . 1 1 87 87 ARG N N 15 122.4 0.01 . 1 . . . . . . . . 4010 1 631 . 1 1 87 87 ARG H H 1 8.46 0.01 . 1 . . . . . . . . 4010 1 632 . 1 1 87 87 ARG HA H 1 4.34 0.01 . 1 . . . . . . . . 4010 1 633 . 1 1 87 87 ARG HB2 H 1 1.81 0.01 . 2 . . . . . . . . 4010 1 634 . 1 1 87 87 ARG HB3 H 1 2.05 0.01 . 2 . . . . . . . . 4010 1 635 . 1 1 87 87 ARG HG2 H 1 1.49 0.01 . 2 . . . . . . . . 4010 1 636 . 1 1 87 87 ARG HG3 H 1 2.33 0.01 . 2 . . . . . . . . 4010 1 637 . 1 1 87 87 ARG HD2 H 1 3.2 0.01 . 2 . . . . . . . . 4010 1 638 . 1 1 87 87 ARG HD3 H 1 3.43 0.01 . 2 . . . . . . . . 4010 1 639 . 1 1 87 87 ARG NE N 15 86.9 0.01 . 1 . . . . . . . . 4010 1 640 . 1 1 87 87 ARG HE H 1 8.62 0.01 . 1 . . . . . . . . 4010 1 641 . 1 1 88 88 VAL N N 15 124.00 0.01 . 1 . . . . . . . . 4010 1 642 . 1 1 88 88 VAL H H 1 8.04 0.01 . 1 . . . . . . . . 4010 1 643 . 1 1 88 88 VAL HA H 1 4.03 0.01 . 1 . . . . . . . . 4010 1 644 . 1 1 88 88 VAL HB H 1 1.35 0.01 . 1 . . . . . . . . 4010 1 645 . 1 1 88 88 VAL HG11 H 1 0.55 0.01 . 1 . . . . . . . . 4010 1 646 . 1 1 88 88 VAL HG12 H 1 0.55 0.01 . 1 . . . . . . . . 4010 1 647 . 1 1 88 88 VAL HG13 H 1 0.55 0.01 . 1 . . . . . . . . 4010 1 648 . 1 1 88 88 VAL HG21 H 1 0.46 0.01 . 1 . . . . . . . . 4010 1 649 . 1 1 88 88 VAL HG22 H 1 0.46 0.01 . 1 . . . . . . . . 4010 1 650 . 1 1 88 88 VAL HG23 H 1 0.46 0.01 . 1 . . . . . . . . 4010 1 651 . 1 1 89 89 LEU N N 15 131.5 0.01 . 1 . . . . . . . . 4010 1 652 . 1 1 89 89 LEU H H 1 8.47 0.01 . 1 . . . . . . . . 4010 1 653 . 1 1 89 89 LEU HA H 1 4.91 0.01 . 1 . . . . . . . . 4010 1 654 . 1 1 89 89 LEU HB2 H 1 1.76 0.01 . 1 . . . . . . . . 4010 1 655 . 1 1 89 89 LEU HB3 H 1 1.76 0.01 . 1 . . . . . . . . 4010 1 656 . 1 1 89 89 LEU HG H 1 1.32 0.01 . 1 . . . . . . . . 4010 1 657 . 1 1 89 89 LEU HD11 H 1 0.8 0.01 . 2 . . . . . . . . 4010 1 658 . 1 1 89 89 LEU HD12 H 1 0.8 0.01 . 2 . . . . . . . . 4010 1 659 . 1 1 89 89 LEU HD13 H 1 0.8 0.01 . 2 . . . . . . . . 4010 1 660 . 1 1 89 89 LEU HD21 H 1 0.56 0.01 . 2 . . . . . . . . 4010 1 661 . 1 1 89 89 LEU HD22 H 1 0.56 0.01 . 2 . . . . . . . . 4010 1 662 . 1 1 89 89 LEU HD23 H 1 0.56 0.01 . 2 . . . . . . . . 4010 1 663 . 1 1 90 90 ALA N N 15 124.9 0.01 . 1 . . . . . . . . 4010 1 664 . 1 1 90 90 ALA H H 1 8.51 0.01 . 1 . . . . . . . . 4010 1 665 . 1 1 90 90 ALA HA H 1 4.91 0.01 . 1 . . . . . . . . 4010 1 666 . 1 1 90 90 ALA HB1 H 1 1.2 0.01 . 1 . . . . . . . . 4010 1 667 . 1 1 90 90 ALA HB2 H 1 1.2 0.01 . 1 . . . . . . . . 4010 1 668 . 1 1 90 90 ALA HB3 H 1 1.2 0.01 . 1 . . . . . . . . 4010 1 669 . 1 1 91 91 TYR N N 15 122.00 0.01 . 1 . . . . . . . . 4010 1 670 . 1 1 91 91 TYR H H 1 8.7 0.01 . 1 . . . . . . . . 4010 1 671 . 1 1 91 91 TYR HA H 1 4.7 0.01 . 1 . . . . . . . . 4010 1 672 . 1 1 91 91 TYR HB2 H 1 3.12 0.01 . 2 . . . . . . . . 4010 1 673 . 1 1 91 91 TYR HB3 H 1 2.74 0.01 . 2 . . . . . . . . 4010 1 674 . 1 1 91 91 TYR HD1 H 1 7.02 0.01 . 1 . . . . . . . . 4010 1 675 . 1 1 91 91 TYR HD2 H 1 7.02 0.01 . 1 . . . . . . . . 4010 1 676 . 1 1 92 92 ILE N N 15 124.5 0.01 . 1 . . . . . . . . 4010 1 677 . 1 1 92 92 ILE H H 1 8.61 0.01 . 1 . . . . . . . . 4010 1 678 . 1 1 92 92 ILE HA H 1 4.91 0.01 . 1 . . . . . . . . 4010 1 679 . 1 1 92 92 ILE HB H 1 1.47 0.01 . 1 . . . . . . . . 4010 1 680 . 1 1 92 92 ILE HG12 H 1 1.55 0.01 . 1 . . . . . . . . 4010 1 681 . 1 1 92 92 ILE HG13 H 1 1.55 0.01 . 1 . . . . . . . . 4010 1 682 . 1 1 92 92 ILE HG21 H 1 0.75 0.01 . 1 . . . . . . . . 4010 1 683 . 1 1 92 92 ILE HG22 H 1 0.75 0.01 . 1 . . . . . . . . 4010 1 684 . 1 1 92 92 ILE HG23 H 1 0.75 0.01 . 1 . . . . . . . . 4010 1 685 . 1 1 92 92 ILE HD11 H 1 0.82 0.01 . 1 . . . . . . . . 4010 1 686 . 1 1 92 92 ILE HD12 H 1 0.82 0.01 . 1 . . . . . . . . 4010 1 687 . 1 1 92 92 ILE HD13 H 1 0.82 0.01 . 1 . . . . . . . . 4010 1 688 . 1 1 93 93 TYR N N 15 127.5 0.01 . 1 . . . . . . . . 4010 1 689 . 1 1 93 93 TYR H H 1 9.4 0.01 . 1 . . . . . . . . 4010 1 690 . 1 1 93 93 TYR HA H 1 5.14 0.01 . 1 . . . . . . . . 4010 1 691 . 1 1 93 93 TYR HB2 H 1 2.81 0.01 . 2 . . . . . . . . 4010 1 692 . 1 1 93 93 TYR HB3 H 1 2.45 0.01 . 2 . . . . . . . . 4010 1 693 . 1 1 93 93 TYR HD1 H 1 6.67 0.01 . 1 . . . . . . . . 4010 1 694 . 1 1 93 93 TYR HD2 H 1 6.67 0.01 . 1 . . . . . . . . 4010 1 695 . 1 1 93 93 TYR HE1 H 1 6.69 0.01 . 1 . . . . . . . . 4010 1 696 . 1 1 93 93 TYR HE2 H 1 6.69 0.01 . 1 . . . . . . . . 4010 1 697 . 1 1 94 94 ALA N N 15 127.7 0.01 . 1 . . . . . . . . 4010 1 698 . 1 1 94 94 ALA H H 1 9.27 0.01 . 1 . . . . . . . . 4010 1 699 . 1 1 94 94 ALA HA H 1 5.05 0.01 . 1 . . . . . . . . 4010 1 700 . 1 1 94 94 ALA HB1 H 1 1.18 0.01 . 1 . . . . . . . . 4010 1 701 . 1 1 94 94 ALA HB2 H 1 1.18 0.01 . 1 . . . . . . . . 4010 1 702 . 1 1 94 94 ALA HB3 H 1 1.18 0.01 . 1 . . . . . . . . 4010 1 703 . 1 1 95 95 ASP N N 15 128.7 0.01 . 1 . . . . . . . . 4010 1 704 . 1 1 95 95 ASP H H 1 9.73 0.01 . 1 . . . . . . . . 4010 1 705 . 1 1 95 95 ASP HA H 1 4.43 0.01 . 1 . . . . . . . . 4010 1 706 . 1 1 95 95 ASP HB2 H 1 2.91 0.01 . 2 . . . . . . . . 4010 1 707 . 1 1 95 95 ASP HB3 H 1 1.22 0.01 . 2 . . . . . . . . 4010 1 708 . 1 1 96 96 GLY N N 15 105.2 0.01 . 1 . . . . . . . . 4010 1 709 . 1 1 96 96 GLY H H 1 9.3 0.01 . 1 . . . . . . . . 4010 1 710 . 1 1 96 96 GLY HA2 H 1 4.26 0.01 . 2 . . . . . . . . 4010 1 711 . 1 1 96 96 GLY HA3 H 1 3.66 0.01 . 2 . . . . . . . . 4010 1 712 . 1 1 97 97 LYS N N 15 123.7 0.01 . 1 . . . . . . . . 4010 1 713 . 1 1 97 97 LYS H H 1 7.9 0.01 . 1 . . . . . . . . 4010 1 714 . 1 1 97 97 LYS HA H 1 4.7 0.01 . 1 . . . . . . . . 4010 1 715 . 1 1 97 97 LYS HB2 H 1 1.86 0.01 . 1 . . . . . . . . 4010 1 716 . 1 1 97 97 LYS HB3 H 1 1.86 0.01 . 1 . . . . . . . . 4010 1 717 . 1 1 97 97 LYS HG2 H 1 2.11 0.01 . 1 . . . . . . . . 4010 1 718 . 1 1 97 97 LYS HG3 H 1 2.11 0.01 . 1 . . . . . . . . 4010 1 719 . 1 1 97 97 LYS HD2 H 1 3.05 0.01 . 1 . . . . . . . . 4010 1 720 . 1 1 97 97 LYS HD3 H 1 3.05 0.01 . 1 . . . . . . . . 4010 1 721 . 1 1 98 98 MET N N 15 115.8 0.01 . 1 . . . . . . . . 4010 1 722 . 1 1 98 98 MET H H 1 8.81 0.01 . 1 . . . . . . . . 4010 1 723 . 1 1 98 98 MET HA H 1 4.31 0.01 . 1 . . . . . . . . 4010 1 724 . 1 1 98 98 MET HB2 H 1 2.39 0.01 . 1 . . . . . . . . 4010 1 725 . 1 1 98 98 MET HB3 H 1 2.39 0.01 . 1 . . . . . . . . 4010 1 726 . 1 1 99 99 VAL N N 15 133.00 0.01 . 1 . . . . . . . . 4010 1 727 . 1 1 99 99 VAL H H 1 9.42 0.01 . 1 . . . . . . . . 4010 1 728 . 1 1 99 99 VAL HA H 1 3.87 0.01 . 1 . . . . . . . . 4010 1 729 . 1 1 99 99 VAL HB H 1 1.93 0.01 . 1 . . . . . . . . 4010 1 730 . 1 1 99 99 VAL HG11 H 1 0.95 0.01 . 1 . . . . . . . . 4010 1 731 . 1 1 99 99 VAL HG12 H 1 0.95 0.01 . 1 . . . . . . . . 4010 1 732 . 1 1 99 99 VAL HG13 H 1 0.95 0.01 . 1 . . . . . . . . 4010 1 733 . 1 1 99 99 VAL HG21 H 1 0.73 0.01 . 1 . . . . . . . . 4010 1 734 . 1 1 99 99 VAL HG22 H 1 0.73 0.01 . 1 . . . . . . . . 4010 1 735 . 1 1 99 99 VAL HG23 H 1 0.73 0.01 . 1 . . . . . . . . 4010 1 736 . 1 1 100 100 ASN N N 15 119.3 0.01 . 1 . . . . . . . . 4010 1 737 . 1 1 100 100 ASN H H 1 7.88 0.01 . 1 . . . . . . . . 4010 1 738 . 1 1 100 100 ASN HA H 1 3.98 0.01 . 1 . . . . . . . . 4010 1 739 . 1 1 100 100 ASN HB2 H 1 2.47 0.01 . 2 . . . . . . . . 4010 1 740 . 1 1 100 100 ASN HB3 H 1 1.94 0.01 . 2 . . . . . . . . 4010 1 741 . 1 1 100 100 ASN ND2 N 15 114.00 0.01 . 1 . . . . . . . . 4010 1 742 . 1 1 100 100 ASN HD21 H 1 7.57 0.01 . 1 . . . . . . . . 4010 1 743 . 1 1 100 100 ASN HD22 H 1 6.87 0.01 . 1 . . . . . . . . 4010 1 744 . 1 1 101 101 GLU N N 15 126.2 0.01 . 1 . . . . . . . . 4010 1 745 . 1 1 101 101 GLU H H 1 7.98 0.01 . 1 . . . . . . . . 4010 1 746 . 1 1 101 101 GLU HA H 1 4.25 0.01 . 1 . . . . . . . . 4010 1 747 . 1 1 101 101 GLU HB2 H 1 1.46 0.01 . 2 . . . . . . . . 4010 1 748 . 1 1 101 101 GLU HB3 H 1 1.74 0.01 . 2 . . . . . . . . 4010 1 749 . 1 1 101 101 GLU HG2 H 1 3.2 0.01 . 2 . . . . . . . . 4010 1 750 . 1 1 101 101 GLU HG3 H 1 2.04 0.01 . 2 . . . . . . . . 4010 1 751 . 1 1 102 102 ALA N N 15 126.7 0.01 . 1 . . . . . . . . 4010 1 752 . 1 1 102 102 ALA H H 1 7.3 0.01 . 1 . . . . . . . . 4010 1 753 . 1 1 102 102 ALA HA H 1 4.14 0.01 . 1 . . . . . . . . 4010 1 754 . 1 1 102 102 ALA HB1 H 1 1.63 0.01 . 1 . . . . . . . . 4010 1 755 . 1 1 102 102 ALA HB2 H 1 1.63 0.01 . 1 . . . . . . . . 4010 1 756 . 1 1 102 102 ALA HB3 H 1 1.63 0.01 . 1 . . . . . . . . 4010 1 757 . 1 1 103 103 LEU N N 15 125.9 0.01 . 1 . . . . . . . . 4010 1 758 . 1 1 103 103 LEU H H 1 8.26 0.01 . 1 . . . . . . . . 4010 1 759 . 1 1 103 103 LEU HA H 1 4.62 0.01 . 1 . . . . . . . . 4010 1 760 . 1 1 103 103 LEU HD11 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 761 . 1 1 103 103 LEU HD12 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 762 . 1 1 103 103 LEU HD13 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 763 . 1 1 103 103 LEU HD21 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 764 . 1 1 103 103 LEU HD22 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 765 . 1 1 103 103 LEU HD23 H 1 0.91 0.01 . 1 . . . . . . . . 4010 1 stop_ save_ save_chemical_shift_assignment_set_2_SNOB _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_set_2_SNOB _Assigned_chem_shift_list.Entry_ID 4010 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; ASSIGNMENTS FOR A SECOND SLOW-EXCHANGE FORM INVOLVING RESIDUES E43-G55; RESIDUES NAMED X ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4010 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 43 43 GLU N N 15 119.7 0.01 . 1 . . . . . . . . 4010 2 2 . 1 1 43 43 GLU H H 1 8.39 0.01 . 1 . . . . . . . . 4010 2 3 . 1 1 43 43 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 4010 2 4 . 1 1 43 43 GLU HB2 H 1 2.33 0.01 . 1 . . . . . . . . 4010 2 5 . 1 1 43 43 GLU HB3 H 1 2.33 0.01 . 1 . . . . . . . . 4010 2 6 . 1 1 43 43 GLU HG2 H 1 2.04 0.01 . 1 . . . . . . . . 4010 2 7 . 1 1 43 43 GLU HG3 H 1 2.04 0.01 . 1 . . . . . . . . 4010 2 8 . 1 1 44 44 THR N N 15 116.3 0.01 . 1 . . . . . . . . 4010 2 9 . 1 1 44 44 THR H H 1 7.89 0.01 . 1 . . . . . . . . 4010 2 10 . 1 1 44 44 THR HG21 H 1 1.2 0.01 . 1 . . . . . . . . 4010 2 11 . 1 1 44 44 THR HG22 H 1 1.2 0.01 . 1 . . . . . . . . 4010 2 12 . 1 1 44 44 THR HG23 H 1 1.2 0.01 . 1 . . . . . . . . 4010 2 13 . 1 1 46 46 HIS N N 15 121.6 0.01 . 1 . . . . . . . . 4010 2 14 . 1 1 46 46 HIS H H 1 8.26 0.01 . 1 . . . . . . . . 4010 2 15 . 1 1 46 46 HIS HA H 1 5.04 0.01 . 1 . . . . . . . . 4010 2 16 . 1 1 46 46 HIS HB2 H 1 3.18 0.01 . 1 . . . . . . . . 4010 2 17 . 1 1 46 46 HIS HB3 H 1 3.18 0.01 . 1 . . . . . . . . 4010 2 18 . 1 1 49 49 LYS N N 15 123.7 0.01 . 1 . . . . . . . . 4010 2 19 . 1 1 49 49 LYS H H 1 8.54 0.01 . 1 . . . . . . . . 4010 2 20 . 1 1 49 49 LYS HA H 1 4.26 0.01 . 1 . . . . . . . . 4010 2 21 . 1 1 49 49 LYS HB2 H 1 1.8 0.01 . 1 . . . . . . . . 4010 2 22 . 1 1 49 49 LYS HB3 H 1 1.8 0.01 . 1 . . . . . . . . 4010 2 23 . 1 1 49 49 LYS HG2 H 1 1.45 0.01 . 1 . . . . . . . . 4010 2 24 . 1 1 49 49 LYS HG3 H 1 1.45 0.01 . 1 . . . . . . . . 4010 2 25 . 1 1 50 50 GLY N N 15 112.7 0.01 . 1 . . . . . . . . 4010 2 26 . 1 1 50 50 GLY H H 1 8.38 0.01 . 1 . . . . . . . . 4010 2 27 . 1 1 50 50 GLY HA2 H 1 4.02 0.01 . 1 . . . . . . . . 4010 2 28 . 1 1 50 50 GLY HA3 H 1 4.02 0.01 . 1 . . . . . . . . 4010 2 29 . 1 1 51 51 VAL N N 15 120.7 0.01 . 1 . . . . . . . . 4010 2 30 . 1 1 51 51 VAL H H 1 7.91 0.01 . 1 . . . . . . . . 4010 2 31 . 1 1 51 51 VAL HA H 1 4.14 0.01 . 1 . . . . . . . . 4010 2 32 . 1 1 51 51 VAL HB H 1 2.13 0.01 . 1 . . . . . . . . 4010 2 33 . 1 1 51 51 VAL HG11 H 1 0.93 0.01 . 1 . . . . . . . . 4010 2 34 . 1 1 51 51 VAL HG12 H 1 0.93 0.01 . 1 . . . . . . . . 4010 2 35 . 1 1 51 51 VAL HG13 H 1 0.93 0.01 . 1 . . . . . . . . 4010 2 36 . 1 1 51 51 VAL HG21 H 1 0.93 0.01 . 1 . . . . . . . . 4010 2 37 . 1 1 51 51 VAL HG22 H 1 0.93 0.01 . 1 . . . . . . . . 4010 2 38 . 1 1 51 51 VAL HG23 H 1 0.93 0.01 . 1 . . . . . . . . 4010 2 39 . 1 1 52 52 GLU N N 15 126.5 0.01 . 1 . . . . . . . . 4010 2 40 . 1 1 52 52 GLU H H 1 8.5 0.01 . 1 . . . . . . . . 4010 2 41 . 1 1 52 52 GLU HA H 1 4.26 0.01 . 1 . . . . . . . . 4010 2 42 . 1 1 52 52 GLU HB2 H 1 1.95 0.01 . 1 . . . . . . . . 4010 2 43 . 1 1 52 52 GLU HB3 H 1 1.95 0.01 . 1 . . . . . . . . 4010 2 44 . 1 1 52 52 GLU HG2 H 1 2.28 0.01 . 1 . . . . . . . . 4010 2 45 . 1 1 52 52 GLU HG3 H 1 2.28 0.01 . 1 . . . . . . . . 4010 2 46 . 1 1 53 53 LYS N N 15 124.00 0.01 . 1 . . . . . . . . 4010 2 47 . 1 1 53 53 LYS H H 1 8.16 0.01 . 1 . . . . . . . . 4010 2 48 . 1 1 53 53 LYS HA H 1 4.25 0.01 . 1 . . . . . . . . 4010 2 49 . 1 1 53 53 LYS HB2 H 1 1.66 0.01 . 1 . . . . . . . . 4010 2 50 . 1 1 53 53 LYS HB3 H 1 1.66 0.01 . 1 . . . . . . . . 4010 2 51 . 1 1 53 53 LYS HG2 H 1 1.28 0.01 . 1 . . . . . . . . 4010 2 52 . 1 1 53 53 LYS HG3 H 1 1.28 0.01 . 1 . . . . . . . . 4010 2 53 . 1 1 54 54 TYR N N 15 120.4 0.01 . 1 . . . . . . . . 4010 2 54 . 1 1 54 54 TYR H H 1 7.95 0.01 . 1 . . . . . . . . 4010 2 55 . 1 1 54 54 TYR HA H 1 4.63 0.01 . 1 . . . . . . . . 4010 2 56 . 1 1 54 54 TYR HB2 H 1 3.39 0.01 . 2 . . . . . . . . 4010 2 57 . 1 1 54 54 TYR HB3 H 1 2.75 0.01 . 2 . . . . . . . . 4010 2 58 . 1 1 54 54 TYR HD1 H 1 7.07 0.01 . 1 . . . . . . . . 4010 2 59 . 1 1 54 54 TYR HD2 H 1 7.07 0.01 . 1 . . . . . . . . 4010 2 60 . 1 1 54 54 TYR HE1 H 1 6.84 0.01 . 1 . . . . . . . . 4010 2 61 . 1 1 54 54 TYR HE2 H 1 6.84 0.01 . 1 . . . . . . . . 4010 2 62 . 1 1 55 55 GLY N N 15 112.4 0.01 . 1 . . . . . . . . 4010 2 63 . 1 1 55 55 GLY H H 1 8.18 0.01 . 1 . . . . . . . . 4010 2 64 . 1 1 55 55 GLY HA2 H 1 4.13 0.01 . 1 . . . . . . . . 4010 2 65 . 1 1 55 55 GLY HA3 H 1 4.13 0.01 . 1 . . . . . . . . 4010 2 stop_ save_ save_chemical_shift_assignment_set_3_SNOB _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_set_3_SNOB _Assigned_chem_shift_list.Entry_ID 4010 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; ASSIGNMENTS FOR A THIRD SLOW-EXCHANGE FORM INVOLVING C-TERMINUS RESIDUES N100-L103; RESIDUES NAMED X ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4010 3 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 1 100 100 ASN N N 15 119.6 0.01 . 1 . . . . . . . . 4010 3 2 . 1 1 100 100 ASN H H 1 7.68 0.01 . 1 . . . . . . . . 4010 3 3 . 1 1 100 100 ASN HA H 1 4.03 0.01 . 1 . . . . . . . . 4010 3 4 . 1 1 100 100 ASN HB2 H 1 1.82 0.01 . 2 . . . . . . . . 4010 3 5 . 1 1 100 100 ASN HB3 H 1 1.44 0.01 . 2 . . . . . . . . 4010 3 6 . 1 1 100 100 ASN ND2 N 15 113.9 0.01 . 1 . . . . . . . . 4010 3 7 . 1 1 100 100 ASN HD21 H 1 7.5 0.01 . 2 . . . . . . . . 4010 3 8 . 1 1 100 100 ASN HD22 H 1 6.83 0.01 . 2 . . . . . . . . 4010 3 9 . 1 1 101 101 GLU N N 15 125.8 0.01 . 1 . . . . . . . . 4010 3 10 . 1 1 101 101 GLU H H 1 8.02 0.01 . 1 . . . . . . . . 4010 3 11 . 1 1 102 102 ALA N N 15 128.9 0.01 . 1 . . . . . . . . 4010 3 12 . 1 1 102 102 ALA H H 1 7.69 0.01 . 1 . . . . . . . . 4010 3 13 . 1 1 102 102 ALA HA H 1 4.2 0.01 . 1 . . . . . . . . 4010 3 14 . 1 1 102 102 ALA HB1 H 1 1.6 0.01 . 1 . . . . . . . . 4010 3 15 . 1 1 102 102 ALA HB2 H 1 1.6 0.01 . 1 . . . . . . . . 4010 3 16 . 1 1 102 102 ALA HB3 H 1 1.6 0.01 . 1 . . . . . . . . 4010 3 17 . 1 1 103 103 LEU N N 15 130.6 0.01 . 1 . . . . . . . . 4010 3 18 . 1 1 103 103 LEU H H 1 7.86 0.01 . 1 . . . . . . . . 4010 3 19 . 1 1 103 103 LEU HA H 1 4.17 0.01 . 1 . . . . . . . . 4010 3 20 . 1 1 103 103 LEU HB2 H 1 1.79 0.01 . 1 . . . . . . . . 4010 3 21 . 1 1 103 103 LEU HB3 H 1 1.79 0.01 . 1 . . . . . . . . 4010 3 22 . 1 1 103 103 LEU HG H 1 1.42 0.01 . 1 . . . . . . . . 4010 3 stop_ save_