data_1875 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1875 _Entry.Title ; Solution Studies of Staphylococcal Nuclease H124L. 2. 1H, 13C, and 15N Chemical Shift Assignments for the Unligated Enzyme and Analysis of Chemical Shift Changes That Accompany Formation of the Nuclease-Thymidine 3',5'-Bisphosphate-Calcium ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Jinfeng Wang . . . 1875 2 Andrew Hinck . P. . 1875 3 Stewart Loh . N. . 1875 4 David LeMaster . M. . 1875 5 John Markley . L. . 1875 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1875 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 270 1875 '15N chemical shifts' 1 1875 '1H chemical shifts' 597 1875 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 4 . . 2010-06-17 . revision BMRB 'Complete natural source information' 1875 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1875 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1875 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1875 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1875 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Wang, Jinfeng, Hinck, Andrew P., Loh, Stewart N., LeMaster, David M., Markley, John L., "Solution Studies of Staphylococcal Nuclease H124L. 2. 1H, 13C, and 15N Chemical Shift Assignments for the Unligated Enzyme and Analysis of Chemical Shift Changes That Accompany Formation of the Nuclease-Thymidine 3',5'-Bisphosphate-Calcium," Biochemistry 31 (3), 921-936 (1992). ; _Citation.Title ; Solution Studies of Staphylococcal Nuclease H124L. 2. 1H, 13C, and 15N Chemical Shift Assignments for the Unligated Enzyme and Analysis of Chemical Shift Changes That Accompany Formation of the Nuclease-Thymidine 3',5'-Bisphosphate-Calcium ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 3 _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 921 _Citation.Page_last 936 _Citation.Year 1992 _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 Jinfeng Wang . . . 1875 1 2 Andrew Hinck . P. . 1875 1 3 Stewart Loh . N. . 1875 1 4 David LeMaster . M. . 1875 1 5 John Markley . L. . 1875 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_micrococcal_nuclease _Assembly.Sf_category assembly _Assembly.Sf_framecode system_micrococcal_nuclease _Assembly.Entry_ID 1875 _Assembly.ID 1 _Assembly.Name 'micrococcal 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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'micrococcal nuclease' 1 $micrococcal_nuclease . . . . . . . . . 1875 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'micrococcal nuclease' system 1875 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_micrococcal_nuclease _Entity.Sf_category entity _Entity.Sf_framecode micrococcal_nuclease _Entity.Entry_ID 1875 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'micrococcal nuclease' _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 ; ATSTKKLHKEPATLIKAIDG DTVKLMYKGQPMTFRLLLVD TPETKHPKKGVEKYGPEASA FTKKMVENAKKIEVEFDKGQ RTDKYGRGLAYIYADGKMVN EALVRQGLAKVAYVYKPNNT HEQLLRKSEAQAKKEKLNIW SED ; _Entity.Polymer_seq_one_letter_code ; ATSTKKLHKEPATLIKAIDG DTVKLMYKGQPMTFRLLLVD TPETKHPKKGVEKYGPEASA FTKKMVENAKKIEVEFDKGQ RTDKYGRGLAYIYADGKMVN EALVRQGLAKVAYVYKPNNT HEQLLRKSEAQAKKEKLNIW SED ; _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 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.1.31.1 _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 97.90 99.30 7.59e-96 . . . . 1875 1 2 no BMRB 1581 . "micrococcal nuclease" . . . . . 96.50 156 97.83 99.28 2.68e-92 . . . . 1875 1 3 no BMRB 1582 . "micrococcal nuclease" . . . . . 96.50 156 97.10 99.28 1.09e-91 . . . . 1875 1 4 no BMRB 16585 . SNase140 . . . . . 97.90 140 100.00 100.00 3.65e-96 . . . . 1875 1 5 no BMRB 1704 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 1.62e-98 . . . . 1875 1 6 no BMRB 17718 . Staphylococcal_nuclease . . . . . 100.00 149 100.00 100.00 1.49e-98 . . . . 1875 1 7 no BMRB 18013 . SNase_PHS . . . . . 100.00 149 98.60 99.30 1.33e-96 . . . . 1875 1 8 no BMRB 1874 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 1.62e-98 . . . . 1875 1 9 no BMRB 1876 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 1.62e-98 . . . . 1875 1 10 no BMRB 1877 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 1.62e-98 . . . . 1875 1 11 no BMRB 1878 . "micrococcal nuclease" . . . . . 100.00 143 100.00 100.00 1.62e-98 . . . . 1875 1 12 no BMRB 18788 . staph_nuc_E43S . . . . . 100.00 149 99.30 99.30 6.52e-98 . . . . 1875 1 13 no BMRB 188 . "micrococcal nuclease" . . . . . 100.00 156 97.90 99.30 7.59e-96 . . . . 1875 1 14 no BMRB 189 . "micrococcal nuclease" . . . . . 100.00 156 97.90 99.30 7.59e-96 . . . . 1875 1 15 no BMRB 2784 . "micrococcal nuclease" . . . . . 100.00 156 97.90 99.30 7.59e-96 . . . . 1875 1 16 no BMRB 2785 . "micrococcal nuclease" . . . . . 100.00 156 97.90 99.30 7.59e-96 . . . . 1875 1 17 no BMRB 4010 . SNOB . . . . . 72.03 103 98.06 99.03 4.80e-65 . . . . 1875 1 18 no BMRB 4052 . "staphylococcal nuclease" . . . . . 100.00 149 100.00 100.00 1.49e-98 . . . . 1875 1 19 no BMRB 4053 . "staphylococcal nuclease" . . . . . 100.00 149 100.00 100.00 1.49e-98 . . . . 1875 1 20 no PDB 1A2T . "Staphylococcal Nuclease, B-Mercaptoethanol Disulfide To V23c Variant" . . . . . 100.00 149 98.60 98.60 1.26e-96 . . . . 1875 1 21 no PDB 1A2U . "Staphylococcal Nuclease, V23c Variant, Complex With 1-N- Butane Thiol And 3',5'-Thymidine Diphosphate" . . . . . 100.00 149 98.60 98.60 1.26e-96 . . . . 1875 1 22 no PDB 1A3T . "Staphylococcal Nuclease, V23c Variant, Complex With 2- Fluoroethane Thiol And 3',5'-Thymidine Diphosphate" . . . . . 100.00 149 98.60 98.60 1.26e-96 . . . . 1875 1 23 no PDB 1A3U . "Staphylococcal Nuclease, Cyclohexane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.60 98.60 1.26e-96 . . . . 1875 1 24 no PDB 1A3V . "Staphylococcal Nuclease, Cyclopentane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.60 98.60 1.26e-96 . . . . 1875 1 25 no PDB 1AEX . "Staphylococcal Nuclease, Methane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.60 98.60 1.26e-96 . . . . 1875 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" . . . . . 94.41 135 98.52 99.26 6.02e-91 . . . . 1875 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 98.60 99.30 1.01e-96 . . . . 1875 1 28 no PDB 1EY0 . "Structure Of Wild-Type S. Nuclease At 1.6 A Resolution" . . . . . 100.00 149 99.30 99.30 2.15e-97 . . . . 1875 1 29 no PDB 1EY4 . "Structure Of S. Nuclease Stabilizing Mutant S59a" . . . . . 100.00 149 98.60 99.30 7.14e-97 . . . . 1875 1 30 no PDB 1EY5 . "Structure Of S. Nuclease Stabilizing Mutant T33v" . . . . . 100.00 149 98.60 98.60 1.03e-96 . . . . 1875 1 31 no PDB 1EY6 . "Structure Of S. Nuclease Stabilizing Mutant T41i" . . . . . 100.00 149 98.60 98.60 1.52e-96 . . . . 1875 1 32 no PDB 1EY7 . "Structure Of S. Nuclease Stabilizing Mutant S128a" . . . . . 100.00 149 98.60 99.30 7.14e-97 . . . . 1875 1 33 no PDB 1EY8 . "Structure Of S. Nuclease Stabilizing Triple Mutant P117gH124LS128A" . . . . . 100.00 149 98.60 99.30 1.33e-96 . . . . 1875 1 34 no PDB 1EY9 . "Structure Of S. Nuclease Stabilizing Quadruple Mutant T41iP117GH124LS128A" . . . . . 100.00 149 97.90 98.60 9.50e-96 . . . . 1875 1 35 no PDB 1EYA . "Structure Of S. Nuclease Stabilizing Quintuple Mutant T33vT41IP117GH124LS128A" . . . . . 100.00 149 97.20 97.90 4.38e-95 . . . . 1875 1 36 no PDB 1EYC . "Structure Of S. Nuclease Stabilizing Quintuple Mutant T41iS59AP117GH124LS128A" . . . . . 100.00 149 97.20 98.60 2.09e-95 . . . . 1875 1 37 no PDB 1EYD . "Structure Of Wild-Type S. Nuclease At 1.7 A Resolution" . . . . . 100.00 149 99.30 99.30 2.15e-97 . . . . 1875 1 38 no PDB 1EZ8 . "Structure Of S. Nuclease Stabilizing Mutant T33v" . . . . . 100.00 149 98.60 98.60 1.03e-96 . . . . 1875 1 39 no PDB 1F2M . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 97.90 97.90 5.15e-96 . . . . 1875 1 40 no PDB 1F2Y . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 97.90 97.90 1.81e-95 . . . . 1875 1 41 no PDB 1F2Z . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 97.90 97.90 1.81e-95 . . . . 1875 1 42 no PDB 1JOK . "Averaged Structure For Staphylococcal Nuclease-H124l In Ternary Complex With Ca2+ And Thymidine-3',5'-Bisphosphate" . . . . . 100.00 149 100.00 100.00 1.49e-98 . . . . 1875 1 43 no PDB 1JOO . "Averaged Structure For Unligated Staphylococcal Nuclease- H124l" . . . . . 100.00 149 100.00 100.00 1.49e-98 . . . . 1875 1 44 no PDB 1JOQ . "Ensemble Structures For Staphylococcal Nuclease-H124l In Ternary Complex With Ca2+ And Thymidine-3',5'-Bisphosphate" . . . . . 100.00 149 100.00 100.00 1.49e-98 . . . . 1875 1 45 no PDB 1JOR . "Ensemble Structures For Unligated Staphylococcal Nuclease- H124l" . . . . . 100.00 149 100.00 100.00 1.49e-98 . . . . 1875 1 46 no PDB 1KAA . "Stress And Strain In Staphylococcal Nuclease" . . . . . 95.10 136 98.53 98.53 1.77e-91 . . . . 1875 1 47 no PDB 1KAB . "Stress And Strain In Staphylococcal Nuclease" . . . . . 95.10 136 98.53 98.53 3.73e-91 . . . . 1875 1 48 no PDB 1KDA . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 97.90 98.60 6.41e-96 . . . . 1875 1 49 no PDB 1KDB . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 97.90 99.30 4.33e-96 . . . . 1875 1 50 no PDB 1KDC . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 97.90 98.60 4.83e-96 . . . . 1875 1 51 no PDB 1NSN . "The Crystal Structure Of Antibody N10-Staphylococcal Nuclease Complex At 2.9 Angstroms Resolution" . . . . . 100.00 149 98.60 99.30 1.15e-96 . . . . 1875 1 52 no PDB 1NUC . "Staphylococcal Nuclease, V23c Variant" . . . . . 100.00 149 98.60 98.60 6.54e-97 . . . . 1875 1 53 no PDB 1RKN . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With G88w Mutation" . . . . . 76.92 110 99.09 99.09 1.05e-70 . . . . 1875 1 54 no PDB 1SNC . "The Crystal Structure Of The Ternary Complex Of Staphylococcal Nuclease, Ca2+, And The Inhibitor PdTp, Refined At 1.65 Angstrom" . . . . . 100.00 149 99.30 99.30 2.15e-97 . . . . 1875 1 55 no PDB 1SNM . "Active Site Mutant Glu-43 (right Arrow) Asp In Staphylococcal Nuclease Displays Nonlocal Structural Changes" . . . . . 100.00 149 98.60 99.30 7.96e-97 . . . . 1875 1 56 no PDB 1SNO . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 100.00 100.00 1.49e-98 . . . . 1875 1 57 no PDB 1SNP . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 99.30 99.30 4.22e-97 . . . . 1875 1 58 no PDB 1SNQ . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 98.60 98.60 5.38e-96 . . . . 1875 1 59 no PDB 1STA . "Accommodation Of Insertion Mutations On The Surface And In The Interior Of Staphylococcal Nuclease" . . . . . 101.40 151 97.93 97.93 3.38e-95 . . . . 1875 1 60 no PDB 1STB . "Accommodation Of Insertion Mutations On The Surface And In The Interior Of Staphylococcal Nuclease" . . . . . 100.70 150 98.61 98.61 1.77e-95 . . . . 1875 1 61 no PDB 1STG . "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" . . . . . 100.00 149 99.30 99.30 2.15e-97 . . . . 1875 1 62 no PDB 1STH . "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" . . . . . 100.00 149 99.30 99.30 2.15e-97 . . . . 1875 1 63 no PDB 1STN . "The Crystal Structure Of Staphylococcal Nuclease Refined At 1.7 Angstroms Resolution" . . . . . 100.00 149 99.30 99.30 2.15e-97 . . . . 1875 1 64 no PDB 1STY . "The Alpha Aneurism: A Structural Motif Revealed In An Insertion Mutant Of Staphylococcal Nuclease" . . . . . 100.70 150 98.61 98.61 1.93e-95 . . . . 1875 1 65 no PDB 1SYC . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.60 98.60 5.50e-96 . . . . 1875 1 66 no PDB 1SYD . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.60 98.60 5.50e-96 . . . . 1875 1 67 no PDB 1SYE . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.60 98.60 3.02e-96 . . . . 1875 1 68 no PDB 1SYF . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.60 98.60 3.02e-96 . . . . 1875 1 69 no PDB 1SYG . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.60 98.60 2.48e-96 . . . . 1875 1 70 no PDB 1U9R . "Crystal Structure Of Staphylococcal Nuclease Mutant V66eP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 97.90 98.60 1.39e-95 . . . . 1875 1 71 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" . . . . . 94.41 135 98.52 99.26 6.02e-91 . . . . 1875 1 72 no PDB 2EXZ . "Crystal Structure Of Staphylococcal Nuclease Mutant T22c" . . . . . 100.00 149 98.60 98.60 7.45e-97 . . . . 1875 1 73 no PDB 2EY1 . "Crystal Structure Of Staphylococcal Nuclease Mutant T22v" . . . . . 100.00 149 98.60 98.60 1.03e-96 . . . . 1875 1 74 no PDB 2EY2 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41c" . . . . . 100.00 149 98.60 98.60 7.45e-97 . . . . 1875 1 75 no PDB 2EY5 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41s" . . . . . 100.00 149 98.60 99.30 5.43e-97 . . . . 1875 1 76 no PDB 2EY6 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41v" . . . . . 100.00 149 98.60 98.60 1.03e-96 . . . . 1875 1 77 no PDB 2EYF . "Crystal Structure Of Staphylococcal Nuclease Mutant T44v" . . . . . 100.00 149 98.60 98.60 1.03e-96 . . . . 1875 1 78 no PDB 2EYH . "Crystal Structure Of Staphylococcal Nuclease Mutant T62s" . . . . . 100.00 149 98.60 99.30 5.43e-97 . . . . 1875 1 79 no PDB 2EYJ . "Crystal Structure Of Staphylococcal Nuclease Mutant T62v" . . . . . 100.00 149 98.60 98.60 1.03e-96 . . . . 1875 1 80 no PDB 2EYL . "Crystal Structure Of Staphylococcal Nuclease Mutant T82s" . . . . . 100.00 149 98.60 99.30 5.43e-97 . . . . 1875 1 81 no PDB 2EYM . "Crystal Structure Of Staphylococcal Nuclease Mutant T120c" . . . . . 100.00 149 98.60 98.60 7.45e-97 . . . . 1875 1 82 no PDB 2EYO . "Crystal Structure Of Staphylococcal Nuclease Mutant T120s" . . . . . 100.00 149 98.60 99.30 5.43e-97 . . . . 1875 1 83 no PDB 2EYP . "Crystal Structure Of Staphylococcal Nuclease Mutant T120v" . . . . . 100.00 149 98.60 98.60 1.03e-96 . . . . 1875 1 84 no PDB 2F0D . "Crystal Structure Of Staphylococcal Nuclease Mutant I92v" . . . . . 100.00 149 98.60 99.30 3.63e-97 . . . . 1875 1 85 no PDB 2F0E . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l" . . . . . 100.00 149 98.60 99.30 7.70e-97 . . . . 1875 1 86 no PDB 2F0F . "Crystal Structure Of Staphylococcal Nuclease Mutant L25i" . . . . . 100.00 149 98.60 99.30 4.27e-97 . . . . 1875 1 87 no PDB 2F0G . "Crystal Structure Of Staphylococcal Nuclease Mutant V66i" . . . . . 100.00 149 98.60 99.30 3.21e-97 . . . . 1875 1 88 no PDB 2F0H . "Crystal Structure Of Staphylococcal Nuclease Mutant V66l" . . . . . 100.00 149 98.60 99.30 7.70e-97 . . . . 1875 1 89 no PDB 2F0I . "Crystal Structure Of Staphylococcal Nuclease Mutant I72l" . . . . . 100.00 149 98.60 99.30 5.55e-97 . . . . 1875 1 90 no PDB 2F0J . "Crystal Structure Of Staphylococcal Nuclease Mutant I72v" . . . . . 100.00 149 98.60 99.30 3.63e-97 . . . . 1875 1 91 no PDB 2F0K . "Crystal Structure Of Staphylococcal Nuclease Mutant V23iL25I" . . . . . 100.00 149 97.90 99.30 7.54e-97 . . . . 1875 1 92 no PDB 2F0L . "Crystal Structure Of Staphylococcal Nuclease Mutant V23lI72L" . . . . . 100.00 149 97.90 99.30 2.08e-96 . . . . 1875 1 93 no PDB 2F0M . "Crystal Structure Of Staphylococcal Nuclease Mutant V23lI72V" . . . . . 100.00 149 97.90 99.30 1.18e-96 . . . . 1875 1 94 no PDB 2F0N . "Crystal Structure Of Staphylococcal Nuclease Mutant L25iI72L" . . . . . 100.00 149 97.90 99.30 1.33e-96 . . . . 1875 1 95 no PDB 2F0O . "Crystal Structure Of Staphylococcal Nuclease Mutant V66iI72V" . . . . . 100.00 149 97.90 99.30 5.93e-97 . . . . 1875 1 96 no PDB 2F0P . "Crystal Structure Of Staphylococcal Nuclease Mutant V66iV99I" . . . . . 100.00 149 97.90 99.30 5.31e-97 . . . . 1875 1 97 no PDB 2F0Q . "Crystal Structure Of Staphylococcal Nuclease Mutant V66lI92L" . . . . . 100.00 149 97.90 99.30 2.08e-96 . . . . 1875 1 98 no PDB 2F0S . "Crystal Structure Of Staphylococcal Nuclease Mutant V66lI92V" . . . . . 100.00 149 97.90 99.30 1.18e-96 . . . . 1875 1 99 no PDB 2F0T . "Crystal Structure Of Staphylococcal Nuclease Mutant V66lV99I" . . . . . 100.00 149 97.90 99.30 1.17e-96 . . . . 1875 1 100 no PDB 2F0U . "Crystal Structure Of Staphylococcal Nuclease Mutant V23iL25II72V" . . . . . 100.00 149 97.20 99.30 1.19e-96 . . . . 1875 1 101 no PDB 2F0V . "Crystal Structure Of Staphylococcal Nuclease Mutant V23lV66LI72L" . . . . . 100.00 149 97.20 99.30 6.20e-96 . . . . 1875 1 102 no PDB 2F3V . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With V66w Mutation" . . . . . 76.92 110 99.09 99.09 7.56e-71 . . . . 1875 1 103 no PDB 2F3W . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease In 2m Tmao" . . . . . 76.92 110 100.00 100.00 3.85e-72 . . . . 1875 1 104 no PDB 2KHS . "Solution Structure Of Snase121:snase(111-143) Complex" . . . . . 84.62 121 100.00 100.00 1.51e-81 . . . . 1875 1 105 no PDB 2KQ3 . "Solution Structure Of Snase140" . . . . . 97.90 140 100.00 100.00 3.65e-96 . . . . 1875 1 106 no PDB 2LKV . "Staphylococcal Nuclease Phs Variant" . . . . . 100.00 149 98.60 99.30 1.33e-96 . . . . 1875 1 107 no PDB 2M00 . "Solution Structure Of Staphylococcal Nuclease E43s Mutant In The Presence Of Ssdna And Cd2+" . . . . . 100.00 149 99.30 99.30 6.52e-98 . . . . 1875 1 108 no PDB 2NUC . "Staphlococcal Nuclease, Ethane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.60 98.60 1.26e-96 . . . . 1875 1 109 no PDB 2OXP . "Crystal Structure Of Staphylococcal Nuclease Mutant V66dP117GH124LS128A" . . . . . 100.00 149 97.90 98.60 1.62e-95 . . . . 1875 1 110 no PDB 2PW5 . "Crystal Structure Of Staphylococcal Nuclease Variant V66yP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 97.90 98.60 1.18e-95 . . . . 1875 1 111 no PDB 2PW7 . "Crystal Structure Of Staphylococcal Nuclease Variant V66yP117GH124LS128A AT 100K" . . . . . 100.00 149 97.90 98.60 1.18e-95 . . . . 1875 1 112 no PDB 2PYK . "Crystal Structure Of Staphylococcal Nuclease Variant V66qP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 97.90 98.60 1.17e-95 . . . . 1875 1 113 no PDB 2PZT . "Crystal Structure Of Staphylococcal Nuclease Variant V66qP117GH124LS128A AT 100 K" . . . . . 100.00 149 97.90 98.60 1.17e-95 . . . . 1875 1 114 no PDB 2PZU . "Crystal Structure Of Staphylococcal Nuclease Variant V66nP117GH124LS128A AT CRYOGENIC TEMPERATURE" . . . . . 100.00 149 97.90 98.60 1.35e-95 . . . . 1875 1 115 no PDB 2PZW . "Crystal Structure Of Staphylococcal Nuclease Variant V66nP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 97.90 98.60 1.35e-95 . . . . 1875 1 116 no PDB 2RKS . "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38k At Cryogenic Temperature" . . . . . 100.00 149 97.90 98.60 1.75e-95 . . . . 1875 1 117 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 98.60 98.60 2.76e-96 . . . . 1875 1 118 no PDB 2SNS . "Staphylococcal Nuclease. Proposed Mechanism Of Action Based On Structure Of Enzyme-Thymidine 3(Prime),5(Prime)-Biphosphate-Calc" . . . . . 100.00 149 97.90 99.30 5.38e-96 . . . . 1875 1 119 no PDB 2SOB . "Sn-Ob, Ob-Fold Sub-Domain Of Staphylococcal Nuclease, Nmr, 10 Structures" . . . . . 72.03 103 98.06 99.03 4.80e-65 . . . . 1875 1 120 no PDB 3D6C . "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38e At Cryogenic Temperature" . . . . . 100.00 149 97.90 98.60 1.77e-95 . . . . 1875 1 121 no PDB 3DMU . "Crystal Structure Of Staphylococcal Nuclease Variant Phs T62k At Cryogenic Temperature" . . . . . 100.00 149 97.90 98.60 1.25e-95 . . . . 1875 1 122 no PDB 3NUC . "Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.60 98.60 1.26e-96 . . . . 1875 1 123 no PDB 4G57 . "Staphylococcal Nuclease Double Mutant I72l, I92l" . . . . . 94.41 135 97.78 99.26 9.63e-91 . . . . 1875 1 124 no PDB 4H7B . "Crystal Structure Of Staphylococcal Nuclease Mutant I72vV99L" . . . . . 100.00 149 97.90 99.30 1.18e-96 . . . . 1875 1 125 no PDB 4ID6 . "Crystal Structure Of Staphylococcal Nuclease Mutant V23i/i72l" . . . . . 100.00 149 97.90 99.30 1.01e-96 . . . . 1875 1 126 no PDB 4K14 . "Crystal Structure Of Staphylococcal Nuclease Mutant V66i/v99l" . . . . . 95.10 136 97.79 99.26 1.91e-91 . . . . 1875 1 127 no PDB 4K5W . "Crystal Structure Of Staphylococcal Nuclease Variant V23m/l25f/t62f At Cryogenic Temperature" . . . . . 100.00 149 97.20 97.90 2.68e-95 . . . . 1875 1 128 no PDB 4K5X . "Crystal Structure Of Staphylococcal Nuclease Variant V23m/l36f At Cryogenic Temperature" . . . . . 100.00 149 97.90 98.60 2.43e-96 . . . . 1875 1 129 no PDB 4K6D . "Crystal Structure Of Staphylococcal Nuclease Variant V23m/t62f At Cryogenic Temperature" . . . . . 100.00 149 97.90 98.60 8.90e-96 . . . . 1875 1 130 no PDB 4K8I . "Crystal Structure Of Staphylococcal Nuclease Mutant I92v/v99l" . . . . . 94.41 135 97.78 99.26 7.49e-91 . . . . 1875 1 131 no PDB 4K8J . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l/v66i" . . . . . 94.41 135 97.78 99.26 6.87e-91 . . . . 1875 1 132 no PDB 4QB4 . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l/l25v/v66l" . . . . . 95.10 136 97.06 99.26 1.20e-90 . . . . 1875 1 133 no PDB 4QF4 . "Crystal Structure Of Staphylococcal Nuclease Variant V23m At Cryogenic Temperature" . . . . . 100.00 149 97.20 97.90 1.01e-94 . . . . 1875 1 134 no PDB 4WOR . "Staphylococcal Nuclease In Complex With Ca2+ And Thymidine-3'-5'- Diphosphate (pdtp) At Room Temperature" . . . . . 100.00 149 99.30 99.30 2.15e-97 . . . . 1875 1 135 no PDB 5NUC . "Staphylococcal Nuclease, 1-N-Pentane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.60 98.60 1.26e-96 . . . . 1875 1 136 no DBJ BAB41979 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus N315]" . . . . . 100.00 228 99.30 99.30 1.45e-98 . . . . 1875 1 137 no DBJ BAB56977 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 228 99.30 99.30 1.45e-98 . . . . 1875 1 138 no DBJ BAB94634 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 228 100.00 100.00 4.71e-99 . . . . 1875 1 139 no DBJ BAF67032 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 100.00 228 100.00 100.00 4.46e-99 . . . . 1875 1 140 no DBJ BAF77694 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 100.00 228 99.30 99.30 1.45e-98 . . . . 1875 1 141 no EMBL CAA24594 . "nuclease [Staphylococcus aureus]" . . . . . 100.00 231 99.30 99.30 8.77e-98 . . . . 1875 1 142 no EMBL CAG39855 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 100.00 228 100.00 100.00 3.47e-99 . . . . 1875 1 143 no EMBL CAG42530 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 100.00 228 100.00 100.00 4.71e-99 . . . . 1875 1 144 no EMBL CAI80436 . "staphylococcal thermonuclease precursor [Staphylococcus aureus RF122]" . . . . . 100.00 228 99.30 100.00 2.37e-98 . . . . 1875 1 145 no EMBL CAQ49298 . "thermonuclease (TNase) (Micrococcal nuclease)(Staphylococcal nuclease) [Staphylococcus aureus subsp. aureus ST398]" . . . . . 100.00 228 100.00 100.00 3.43e-99 . . . . 1875 1 146 no GB AAC14660 . "deltaSP-Nuc [Cloning vector pFUN]" . . . . . 100.00 155 99.30 99.30 2.89e-97 . . . . 1875 1 147 no GB AAW36415 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus COL]" . . . . . 100.00 228 100.00 100.00 4.46e-99 . . . . 1875 1 148 no GB ABD22328 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 100.00 228 100.00 100.00 4.46e-99 . . . . 1875 1 149 no GB ABD29945 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 100.00 228 100.00 100.00 4.46e-99 . . . . 1875 1 150 no GB ABE02272 . "nuclease [Staphylococcus aureus]" . . . . . 100.00 227 99.30 99.30 2.10e-98 . . . . 1875 1 151 no PRF 1109959A . nuclease,staphylococcal . . . . . 100.00 242 99.30 99.30 1.02e-97 . . . . 1875 1 152 no PRF 710414A . nuclease . . . . . 100.00 149 99.30 99.30 2.15e-97 . . . . 1875 1 153 no REF WP_000141556 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 100.00 100.00 5.03e-99 . . . . 1875 1 154 no REF WP_000141557 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 99.30 99.30 1.45e-98 . . . . 1875 1 155 no REF WP_001548082 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 100.00 100.00 4.46e-99 . . . . 1875 1 156 no REF WP_001566557 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 100.00 100.00 4.32e-99 . . . . 1875 1 157 no REF WP_001574556 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 100.00 100.00 3.43e-99 . . . . 1875 1 158 no SP P00644 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Contains:" . . . . . 100.00 231 99.30 99.30 8.77e-98 . . . . 1875 1 159 no SP Q5HHM4 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 100.00 100.00 4.46e-99 . . . . 1875 1 160 no SP Q6GB41 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 100.00 100.00 4.71e-99 . . . . 1875 1 161 no SP Q6GIK1 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 100.00 100.00 3.47e-99 . . . . 1875 1 162 no SP Q7A6P2 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 99.30 99.30 1.45e-98 . . . . 1875 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID H124L variant 1875 1 'micrococcal nuclease' common 1875 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 . 1875 1 2 . THR . 1875 1 3 . SER . 1875 1 4 . THR . 1875 1 5 . LYS . 1875 1 6 . LYS . 1875 1 7 . LEU . 1875 1 8 . HIS . 1875 1 9 . LYS . 1875 1 10 . GLU . 1875 1 11 . PRO . 1875 1 12 . ALA . 1875 1 13 . THR . 1875 1 14 . LEU . 1875 1 15 . ILE . 1875 1 16 . LYS . 1875 1 17 . ALA . 1875 1 18 . ILE . 1875 1 19 . ASP . 1875 1 20 . GLY . 1875 1 21 . ASP . 1875 1 22 . THR . 1875 1 23 . VAL . 1875 1 24 . LYS . 1875 1 25 . LEU . 1875 1 26 . MET . 1875 1 27 . TYR . 1875 1 28 . LYS . 1875 1 29 . GLY . 1875 1 30 . GLN . 1875 1 31 . PRO . 1875 1 32 . MET . 1875 1 33 . THR . 1875 1 34 . PHE . 1875 1 35 . ARG . 1875 1 36 . LEU . 1875 1 37 . LEU . 1875 1 38 . LEU . 1875 1 39 . VAL . 1875 1 40 . ASP . 1875 1 41 . THR . 1875 1 42 . PRO . 1875 1 43 . GLU . 1875 1 44 . THR . 1875 1 45 . LYS . 1875 1 46 . HIS . 1875 1 47 . PRO . 1875 1 48 . LYS . 1875 1 49 . LYS . 1875 1 50 . GLY . 1875 1 51 . VAL . 1875 1 52 . GLU . 1875 1 53 . LYS . 1875 1 54 . TYR . 1875 1 55 . GLY . 1875 1 56 . PRO . 1875 1 57 . GLU . 1875 1 58 . ALA . 1875 1 59 . SER . 1875 1 60 . ALA . 1875 1 61 . PHE . 1875 1 62 . THR . 1875 1 63 . LYS . 1875 1 64 . LYS . 1875 1 65 . MET . 1875 1 66 . VAL . 1875 1 67 . GLU . 1875 1 68 . ASN . 1875 1 69 . ALA . 1875 1 70 . LYS . 1875 1 71 . LYS . 1875 1 72 . ILE . 1875 1 73 . GLU . 1875 1 74 . VAL . 1875 1 75 . GLU . 1875 1 76 . PHE . 1875 1 77 . ASP . 1875 1 78 . LYS . 1875 1 79 . GLY . 1875 1 80 . GLN . 1875 1 81 . ARG . 1875 1 82 . THR . 1875 1 83 . ASP . 1875 1 84 . LYS . 1875 1 85 . TYR . 1875 1 86 . GLY . 1875 1 87 . ARG . 1875 1 88 . GLY . 1875 1 89 . LEU . 1875 1 90 . ALA . 1875 1 91 . TYR . 1875 1 92 . ILE . 1875 1 93 . TYR . 1875 1 94 . ALA . 1875 1 95 . ASP . 1875 1 96 . GLY . 1875 1 97 . LYS . 1875 1 98 . MET . 1875 1 99 . VAL . 1875 1 100 . ASN . 1875 1 101 . GLU . 1875 1 102 . ALA . 1875 1 103 . LEU . 1875 1 104 . VAL . 1875 1 105 . ARG . 1875 1 106 . GLN . 1875 1 107 . GLY . 1875 1 108 . LEU . 1875 1 109 . ALA . 1875 1 110 . LYS . 1875 1 111 . VAL . 1875 1 112 . ALA . 1875 1 113 . TYR . 1875 1 114 . VAL . 1875 1 115 . TYR . 1875 1 116 . LYS . 1875 1 117 . PRO . 1875 1 118 . ASN . 1875 1 119 . ASN . 1875 1 120 . THR . 1875 1 121 . HIS . 1875 1 122 . GLU . 1875 1 123 . GLN . 1875 1 124 . LEU . 1875 1 125 . LEU . 1875 1 126 . ARG . 1875 1 127 . LYS . 1875 1 128 . SER . 1875 1 129 . GLU . 1875 1 130 . ALA . 1875 1 131 . GLN . 1875 1 132 . ALA . 1875 1 133 . LYS . 1875 1 134 . LYS . 1875 1 135 . GLU . 1875 1 136 . LYS . 1875 1 137 . LEU . 1875 1 138 . ASN . 1875 1 139 . ILE . 1875 1 140 . TRP . 1875 1 141 . SER . 1875 1 142 . GLU . 1875 1 143 . ASP . 1875 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 1875 1 . THR 2 2 1875 1 . SER 3 3 1875 1 . THR 4 4 1875 1 . LYS 5 5 1875 1 . LYS 6 6 1875 1 . LEU 7 7 1875 1 . HIS 8 8 1875 1 . LYS 9 9 1875 1 . GLU 10 10 1875 1 . PRO 11 11 1875 1 . ALA 12 12 1875 1 . THR 13 13 1875 1 . LEU 14 14 1875 1 . ILE 15 15 1875 1 . LYS 16 16 1875 1 . ALA 17 17 1875 1 . ILE 18 18 1875 1 . ASP 19 19 1875 1 . GLY 20 20 1875 1 . ASP 21 21 1875 1 . THR 22 22 1875 1 . VAL 23 23 1875 1 . LYS 24 24 1875 1 . LEU 25 25 1875 1 . MET 26 26 1875 1 . TYR 27 27 1875 1 . LYS 28 28 1875 1 . GLY 29 29 1875 1 . GLN 30 30 1875 1 . PRO 31 31 1875 1 . MET 32 32 1875 1 . THR 33 33 1875 1 . PHE 34 34 1875 1 . ARG 35 35 1875 1 . LEU 36 36 1875 1 . LEU 37 37 1875 1 . LEU 38 38 1875 1 . VAL 39 39 1875 1 . ASP 40 40 1875 1 . THR 41 41 1875 1 . PRO 42 42 1875 1 . GLU 43 43 1875 1 . THR 44 44 1875 1 . LYS 45 45 1875 1 . HIS 46 46 1875 1 . PRO 47 47 1875 1 . LYS 48 48 1875 1 . LYS 49 49 1875 1 . GLY 50 50 1875 1 . VAL 51 51 1875 1 . GLU 52 52 1875 1 . LYS 53 53 1875 1 . TYR 54 54 1875 1 . GLY 55 55 1875 1 . PRO 56 56 1875 1 . GLU 57 57 1875 1 . ALA 58 58 1875 1 . SER 59 59 1875 1 . ALA 60 60 1875 1 . PHE 61 61 1875 1 . THR 62 62 1875 1 . LYS 63 63 1875 1 . LYS 64 64 1875 1 . MET 65 65 1875 1 . VAL 66 66 1875 1 . GLU 67 67 1875 1 . ASN 68 68 1875 1 . ALA 69 69 1875 1 . LYS 70 70 1875 1 . LYS 71 71 1875 1 . ILE 72 72 1875 1 . GLU 73 73 1875 1 . VAL 74 74 1875 1 . GLU 75 75 1875 1 . PHE 76 76 1875 1 . ASP 77 77 1875 1 . LYS 78 78 1875 1 . GLY 79 79 1875 1 . GLN 80 80 1875 1 . ARG 81 81 1875 1 . THR 82 82 1875 1 . ASP 83 83 1875 1 . LYS 84 84 1875 1 . TYR 85 85 1875 1 . GLY 86 86 1875 1 . ARG 87 87 1875 1 . GLY 88 88 1875 1 . LEU 89 89 1875 1 . ALA 90 90 1875 1 . TYR 91 91 1875 1 . ILE 92 92 1875 1 . TYR 93 93 1875 1 . ALA 94 94 1875 1 . ASP 95 95 1875 1 . GLY 96 96 1875 1 . LYS 97 97 1875 1 . MET 98 98 1875 1 . VAL 99 99 1875 1 . ASN 100 100 1875 1 . GLU 101 101 1875 1 . ALA 102 102 1875 1 . LEU 103 103 1875 1 . VAL 104 104 1875 1 . ARG 105 105 1875 1 . GLN 106 106 1875 1 . GLY 107 107 1875 1 . LEU 108 108 1875 1 . ALA 109 109 1875 1 . LYS 110 110 1875 1 . VAL 111 111 1875 1 . ALA 112 112 1875 1 . TYR 113 113 1875 1 . VAL 114 114 1875 1 . TYR 115 115 1875 1 . LYS 116 116 1875 1 . PRO 117 117 1875 1 . ASN 118 118 1875 1 . ASN 119 119 1875 1 . THR 120 120 1875 1 . HIS 121 121 1875 1 . GLU 122 122 1875 1 . GLN 123 123 1875 1 . LEU 124 124 1875 1 . LEU 125 125 1875 1 . ARG 126 126 1875 1 . LYS 127 127 1875 1 . SER 128 128 1875 1 . GLU 129 129 1875 1 . ALA 130 130 1875 1 . GLN 131 131 1875 1 . ALA 132 132 1875 1 . LYS 133 133 1875 1 . LYS 134 134 1875 1 . GLU 135 135 1875 1 . LYS 136 136 1875 1 . LEU 137 137 1875 1 . ASN 138 138 1875 1 . ILE 139 139 1875 1 . TRP 140 140 1875 1 . SER 141 141 1875 1 . GLU 142 142 1875 1 . ASP 143 143 1875 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 1875 _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 $micrococcal_nuclease . 1280 organism . 'Staphylococcus aureus' . . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 1875 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 1875 _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 $micrococcal_nuclease . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1875 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1875 _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_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 1875 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . na 1875 1 temperature 318 . K 1875 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 1875 _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 1875 _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' . . 1875 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 1875 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 1875 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 1875 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C . TMS . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1875 1 H . TSP . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1875 1 N . 'liquid ammonia' . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1875 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 1875 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_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 . 1875 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 7 7 LEU CA C 13 53.3 . . 1 . . . . . . . . 1875 1 2 . 1 1 7 7 LEU HA H 1 4.56 . . 1 . . . . . . . . 1875 1 3 . 1 1 7 7 LEU HB2 H 1 1.78 . . 1 . . . . . . . . 1875 1 4 . 1 1 7 7 LEU HB3 H 1 1.78 . . 1 . . . . . . . . 1875 1 5 . 1 1 7 7 LEU HG H 1 1.84 . . 1 . . . . . . . . 1875 1 6 . 1 1 7 7 LEU HD11 H 1 1.01 . . 2 . . . . . . . . 1875 1 7 . 1 1 7 7 LEU HD12 H 1 1.01 . . 2 . . . . . . . . 1875 1 8 . 1 1 7 7 LEU HD13 H 1 1.01 . . 2 . . . . . . . . 1875 1 9 . 1 1 7 7 LEU HD21 H 1 .93 . . 2 . . . . . . . . 1875 1 10 . 1 1 7 7 LEU HD22 H 1 .93 . . 2 . . . . . . . . 1875 1 11 . 1 1 7 7 LEU HD23 H 1 .93 . . 2 . . . . . . . . 1875 1 12 . 1 1 8 8 HIS CA C 13 53.4 . . 1 . . . . . . . . 1875 1 13 . 1 1 8 8 HIS HA H 1 5.03 . . 1 . . . . . . . . 1875 1 14 . 1 1 8 8 HIS CB C 13 29.5 . . 1 . . . . . . . . 1875 1 15 . 1 1 8 8 HIS CG C 13 129.9 . . 1 . . . . . . . . 1875 1 16 . 1 1 8 8 HIS HB2 H 1 3.34 . . 2 . . . . . . . . 1875 1 17 . 1 1 8 8 HIS HB3 H 1 3.26 . . 2 . . . . . . . . 1875 1 18 . 1 1 8 8 HIS CD2 C 13 118.7 . . 1 . . . . . . . . 1875 1 19 . 1 1 8 8 HIS CE1 C 13 135.1 . . 1 . . . . . . . . 1875 1 20 . 1 1 8 8 HIS HD2 H 1 7.34 . . 1 . . . . . . . . 1875 1 21 . 1 1 8 8 HIS HE1 H 1 8.65 . . 1 . . . . . . . . 1875 1 22 . 1 1 9 9 LYS CA C 13 54.3 . . 1 . . . . . . . . 1875 1 23 . 1 1 9 9 LYS HA H 1 4.82 . . 1 . . . . . . . . 1875 1 24 . 1 1 9 9 LYS HB2 H 1 1.53 . . 1 . . . . . . . . 1875 1 25 . 1 1 9 9 LYS HB3 H 1 1.53 . . 1 . . . . . . . . 1875 1 26 . 1 1 10 10 GLU CA C 13 51.9 . . 1 . . . . . . . . 1875 1 27 . 1 1 10 10 GLU HA H 1 5.08 . . 1 . . . . . . . . 1875 1 28 . 1 1 10 10 GLU HB2 H 1 2.16 . . 1 . . . . . . . . 1875 1 29 . 1 1 10 10 GLU HB3 H 1 2.16 . . 1 . . . . . . . . 1875 1 30 . 1 1 11 11 PRO CA C 13 61.7 . . 1 . . . . . . . . 1875 1 31 . 1 1 11 11 PRO HB2 H 1 2.54 . . 1 . . . . . . . . 1875 1 32 . 1 1 11 11 PRO HB3 H 1 2.54 . . 1 . . . . . . . . 1875 1 33 . 1 1 11 11 PRO CD C 13 49.2 . . 1 . . . . . . . . 1875 1 34 . 1 1 12 12 ALA CA C 13 50 . . 1 . . . . . . . . 1875 1 35 . 1 1 12 12 ALA HA H 1 5.02 . . 1 . . . . . . . . 1875 1 36 . 1 1 12 12 ALA CB C 13 18 . . 1 . . . . . . . . 1875 1 37 . 1 1 12 12 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 1875 1 38 . 1 1 12 12 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 1875 1 39 . 1 1 12 12 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 1875 1 40 . 1 1 13 13 THR CA C 13 59.1 . . 1 . . . . . . . . 1875 1 41 . 1 1 13 13 THR HA H 1 4.73 . . 1 . . . . . . . . 1875 1 42 . 1 1 13 13 THR CB C 13 70 . . 1 . . . . . . . . 1875 1 43 . 1 1 13 13 THR CG2 C 13 20.7 . . 1 . . . . . . . . 1875 1 44 . 1 1 13 13 THR HB H 1 4.12 . . 1 . . . . . . . . 1875 1 45 . 1 1 13 13 THR HG21 H 1 1.3 . . 1 . . . . . . . . 1875 1 46 . 1 1 13 13 THR HG22 H 1 1.3 . . 1 . . . . . . . . 1875 1 47 . 1 1 13 13 THR HG23 H 1 1.3 . . 1 . . . . . . . . 1875 1 48 . 1 1 14 14 LEU CA C 13 55.2 . . 1 . . . . . . . . 1875 1 49 . 1 1 14 14 LEU HA H 1 4.15 . . 1 . . . . . . . . 1875 1 50 . 1 1 14 14 LEU CG C 13 25.4 . . 1 . . . . . . . . 1875 1 51 . 1 1 14 14 LEU HB2 H 1 1.95 . . 1 . . . . . . . . 1875 1 52 . 1 1 14 14 LEU HB3 H 1 1.95 . . 1 . . . . . . . . 1875 1 53 . 1 1 14 14 LEU CD1 C 13 23.4 . . 2 . . . . . . . . 1875 1 54 . 1 1 14 14 LEU CD2 C 13 21.8 . . 2 . . . . . . . . 1875 1 55 . 1 1 14 14 LEU HG H 1 1.25 . . 1 . . . . . . . . 1875 1 56 . 1 1 14 14 LEU HD11 H 1 .89 . . 2 . . . . . . . . 1875 1 57 . 1 1 14 14 LEU HD12 H 1 .89 . . 2 . . . . . . . . 1875 1 58 . 1 1 14 14 LEU HD13 H 1 .89 . . 2 . . . . . . . . 1875 1 59 . 1 1 14 14 LEU HD21 H 1 .73 . . 2 . . . . . . . . 1875 1 60 . 1 1 14 14 LEU HD22 H 1 .73 . . 2 . . . . . . . . 1875 1 61 . 1 1 14 14 LEU HD23 H 1 .73 . . 2 . . . . . . . . 1875 1 62 . 1 1 15 15 ILE CA C 13 62.6 . . 1 . . . . . . . . 1875 1 63 . 1 1 15 15 ILE HA H 1 4.25 . . 1 . . . . . . . . 1875 1 64 . 1 1 15 15 ILE CG2 C 13 15.3 . . 1 . . . . . . . . 1875 1 65 . 1 1 15 15 ILE HB H 1 1.37 . . 1 . . . . . . . . 1875 1 66 . 1 1 15 15 ILE CD1 C 13 12.8 . . 1 . . . . . . . . 1875 1 67 . 1 1 15 15 ILE HG21 H 1 .92 . . 1 . . . . . . . . 1875 1 68 . 1 1 15 15 ILE HG22 H 1 .92 . . 1 . . . . . . . . 1875 1 69 . 1 1 15 15 ILE HG23 H 1 .92 . . 1 . . . . . . . . 1875 1 70 . 1 1 15 15 ILE HD11 H 1 .83 . . 1 . . . . . . . . 1875 1 71 . 1 1 15 15 ILE HD12 H 1 .83 . . 1 . . . . . . . . 1875 1 72 . 1 1 15 15 ILE HD13 H 1 .83 . . 1 . . . . . . . . 1875 1 73 . 1 1 16 16 LYS HA H 1 4.42 . . 1 . . . . . . . . 1875 1 74 . 1 1 16 16 LYS HB2 H 1 1.88 . . 2 . . . . . . . . 1875 1 75 . 1 1 16 16 LYS HB3 H 1 1.76 . . 2 . . . . . . . . 1875 1 76 . 1 1 17 17 ALA CA C 13 50.8 . . 1 . . . . . . . . 1875 1 77 . 1 1 17 17 ALA HA H 1 4.49 . . 1 . . . . . . . . 1875 1 78 . 1 1 17 17 ALA CB C 13 17 . . 1 . . . . . . . . 1875 1 79 . 1 1 17 17 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 1875 1 80 . 1 1 17 17 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 1875 1 81 . 1 1 17 17 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 1875 1 82 . 1 1 18 18 ILE CA C 13 61.8 . . 1 . . . . . . . . 1875 1 83 . 1 1 18 18 ILE HA H 1 4.11 . . 1 . . . . . . . . 1875 1 84 . 1 1 18 18 ILE CG2 C 13 15.3 . . 1 . . . . . . . . 1875 1 85 . 1 1 18 18 ILE HB H 1 1.64 . . 1 . . . . . . . . 1875 1 86 . 1 1 18 18 ILE CD1 C 13 11.9 . . 1 . . . . . . . . 1875 1 87 . 1 1 18 18 ILE HG12 H 1 1.45 . . 2 . . . . . . . . 1875 1 88 . 1 1 18 18 ILE HG13 H 1 1.08 . . 2 . . . . . . . . 1875 1 89 . 1 1 18 18 ILE HG21 H 1 .84 . . 1 . . . . . . . . 1875 1 90 . 1 1 18 18 ILE HG22 H 1 .84 . . 1 . . . . . . . . 1875 1 91 . 1 1 18 18 ILE HG23 H 1 .84 . . 1 . . . . . . . . 1875 1 92 . 1 1 18 18 ILE HD11 H 1 .78 . . 1 . . . . . . . . 1875 1 93 . 1 1 18 18 ILE HD12 H 1 .78 . . 1 . . . . . . . . 1875 1 94 . 1 1 18 18 ILE HD13 H 1 .78 . . 1 . . . . . . . . 1875 1 95 . 1 1 19 19 ASP HA H 1 4.26 . . 1 . . . . . . . . 1875 1 96 . 1 1 19 19 ASP HB2 H 1 2.08 . . 1 . . . . . . . . 1875 1 97 . 1 1 19 19 ASP HB3 H 1 2.08 . . 1 . . . . . . . . 1875 1 98 . 1 1 20 20 GLY CA C 13 46 . . 1 . . . . . . . . 1875 1 99 . 1 1 20 20 GLY HA2 H 1 3.6 . . 2 . . . . . . . . 1875 1 100 . 1 1 20 20 GLY HA3 H 1 3.82 . . 2 . . . . . . . . 1875 1 101 . 1 1 21 21 ASP HA H 1 4.96 . . 1 . . . . . . . . 1875 1 102 . 1 1 22 22 THR CA C 13 60.1 . . 1 . . . . . . . . 1875 1 103 . 1 1 22 22 THR HA H 1 5.65 . . 1 . . . . . . . . 1875 1 104 . 1 1 22 22 THR CB C 13 68.9 . . 1 . . . . . . . . 1875 1 105 . 1 1 22 22 THR CG2 C 13 20.6 . . 1 . . . . . . . . 1875 1 106 . 1 1 22 22 THR HB H 1 3.77 . . 1 . . . . . . . . 1875 1 107 . 1 1 22 22 THR HG21 H 1 1.1 . . 1 . . . . . . . . 1875 1 108 . 1 1 22 22 THR HG22 H 1 1.1 . . 1 . . . . . . . . 1875 1 109 . 1 1 22 22 THR HG23 H 1 1.1 . . 1 . . . . . . . . 1875 1 110 . 1 1 23 23 VAL CA C 13 58.5 . . 1 . . . . . . . . 1875 1 111 . 1 1 23 23 VAL HA H 1 4.67 . . 1 . . . . . . . . 1875 1 112 . 1 1 23 23 VAL CG1 C 13 20.6 . . 2 . . . . . . . . 1875 1 113 . 1 1 23 23 VAL CG2 C 13 18.6 . . 2 . . . . . . . . 1875 1 114 . 1 1 23 23 VAL HB H 1 1.92 . . 1 . . . . . . . . 1875 1 115 . 1 1 23 23 VAL HG11 H 1 .85 . . 2 . . . . . . . . 1875 1 116 . 1 1 23 23 VAL HG12 H 1 .85 . . 2 . . . . . . . . 1875 1 117 . 1 1 23 23 VAL HG13 H 1 .85 . . 2 . . . . . . . . 1875 1 118 . 1 1 23 23 VAL HG21 H 1 .79 . . 2 . . . . . . . . 1875 1 119 . 1 1 23 23 VAL HG22 H 1 .79 . . 2 . . . . . . . . 1875 1 120 . 1 1 23 23 VAL HG23 H 1 .79 . . 2 . . . . . . . . 1875 1 121 . 1 1 24 24 LYS CA C 13 54.3 . . 1 . . . . . . . . 1875 1 122 . 1 1 24 24 LYS HA H 1 5.45 . . 1 . . . . . . . . 1875 1 123 . 1 1 24 24 LYS HB2 H 1 1.99 . . 1 . . . . . . . . 1875 1 124 . 1 1 24 24 LYS HB3 H 1 1.99 . . 1 . . . . . . . . 1875 1 125 . 1 1 25 25 LEU CA C 13 51.5 . . 1 . . . . . . . . 1875 1 126 . 1 1 25 25 LEU HA H 1 5.24 . . 1 . . . . . . . . 1875 1 127 . 1 1 25 25 LEU HB2 H 1 1.78 . . 1 . . . . . . . . 1875 1 128 . 1 1 25 25 LEU HB3 H 1 1.78 . . 1 . . . . . . . . 1875 1 129 . 1 1 25 25 LEU CD1 C 13 24 . . 1 . . . . . . . . 1875 1 130 . 1 1 25 25 LEU CD2 C 13 24 . . 1 . . . . . . . . 1875 1 131 . 1 1 25 25 LEU HG H 1 1.52 . . 1 . . . . . . . . 1875 1 132 . 1 1 25 25 LEU HD11 H 1 .03 . . 1 . . . . . . . . 1875 1 133 . 1 1 25 25 LEU HD12 H 1 .03 . . 1 . . . . . . . . 1875 1 134 . 1 1 25 25 LEU HD13 H 1 .03 . . 1 . . . . . . . . 1875 1 135 . 1 1 25 25 LEU HD21 H 1 .03 . . 1 . . . . . . . . 1875 1 136 . 1 1 25 25 LEU HD22 H 1 .03 . . 1 . . . . . . . . 1875 1 137 . 1 1 25 25 LEU HD23 H 1 .03 . . 1 . . . . . . . . 1875 1 138 . 1 1 26 26 MET CA C 13 53.4 . . 1 . . . . . . . . 1875 1 139 . 1 1 26 26 MET HA H 1 4.89 . . 1 . . . . . . . . 1875 1 140 . 1 1 26 26 MET HB2 H 1 2.27 . . 2 . . . . . . . . 1875 1 141 . 1 1 26 26 MET HB3 H 1 1.76 . . 2 . . . . . . . . 1875 1 142 . 1 1 26 26 MET CE C 13 15.3 . . 1 . . . . . . . . 1875 1 143 . 1 1 26 26 MET HE1 H 1 1.97 . . 1 . . . . . . . . 1875 1 144 . 1 1 26 26 MET HE2 H 1 1.97 . . 1 . . . . . . . . 1875 1 145 . 1 1 26 26 MET HE3 H 1 1.97 . . 1 . . . . . . . . 1875 1 146 . 1 1 27 27 TYR CA C 13 55.3 . . 1 . . . . . . . . 1875 1 147 . 1 1 27 27 TYR HA H 1 5.07 . . 1 . . . . . . . . 1875 1 148 . 1 1 27 27 TYR CG C 13 127.4 . . 1 . . . . . . . . 1875 1 149 . 1 1 27 27 TYR HB2 H 1 3.18 . . 2 . . . . . . . . 1875 1 150 . 1 1 27 27 TYR HB3 H 1 3.01 . . 2 . . . . . . . . 1875 1 151 . 1 1 27 27 TYR CD1 C 13 132.2 . . 1 . . . . . . . . 1875 1 152 . 1 1 27 27 TYR CD2 C 13 132.2 . . 1 . . . . . . . . 1875 1 153 . 1 1 27 27 TYR CE1 C 13 116.8 . . 1 . . . . . . . . 1875 1 154 . 1 1 27 27 TYR HD1 H 1 7.35 . . 1 . . . . . . . . 1875 1 155 . 1 1 27 27 TYR CE2 C 13 116.8 . . 1 . . . . . . . . 1875 1 156 . 1 1 27 27 TYR HD2 H 1 7.35 . . 1 . . . . . . . . 1875 1 157 . 1 1 27 27 TYR CZ C 13 156.9 . . 1 . . . . . . . . 1875 1 158 . 1 1 27 27 TYR HE1 H 1 6.93 . . 1 . . . . . . . . 1875 1 159 . 1 1 27 27 TYR HE2 H 1 6.93 . . 1 . . . . . . . . 1875 1 160 . 1 1 28 28 LYS CA C 13 55.8 . . 1 . . . . . . . . 1875 1 161 . 1 1 28 28 LYS HA H 1 3.62 . . 1 . . . . . . . . 1875 1 162 . 1 1 28 28 LYS HB2 H 1 1.41 . . 1 . . . . . . . . 1875 1 163 . 1 1 28 28 LYS HB3 H 1 1.41 . . 1 . . . . . . . . 1875 1 164 . 1 1 29 29 GLY CA C 13 44 . . 1 . . . . . . . . 1875 1 165 . 1 1 29 29 GLY HA2 H 1 3.58 . . 2 . . . . . . . . 1875 1 166 . 1 1 29 29 GLY HA3 H 1 4.14 . . 2 . . . . . . . . 1875 1 167 . 1 1 30 30 GLN CA C 13 50.8 . . 1 . . . . . . . . 1875 1 168 . 1 1 30 30 GLN HA H 1 5.06 . . 1 . . . . . . . . 1875 1 169 . 1 1 30 30 GLN HB2 H 1 2.19 . . 2 . . . . . . . . 1875 1 170 . 1 1 30 30 GLN HB3 H 1 2.08 . . 2 . . . . . . . . 1875 1 171 . 1 1 31 31 PRO CA C 13 61.1 . . 1 . . . . . . . . 1875 1 172 . 1 1 31 31 PRO HB2 H 1 1.94 . . 1 . . . . . . . . 1875 1 173 . 1 1 31 31 PRO HB3 H 1 1.94 . . 1 . . . . . . . . 1875 1 174 . 1 1 31 31 PRO CD C 13 49.3 . . 1 . . . . . . . . 1875 1 175 . 1 1 32 32 MET CA C 13 54.3 . . 1 . . . . . . . . 1875 1 176 . 1 1 32 32 MET HA H 1 4.68 . . 1 . . . . . . . . 1875 1 177 . 1 1 32 32 MET HB2 H 1 2.12 . . 2 . . . . . . . . 1875 1 178 . 1 1 32 32 MET HB3 H 1 2.01 . . 2 . . . . . . . . 1875 1 179 . 1 1 32 32 MET CE C 13 15.4 . . 1 . . . . . . . . 1875 1 180 . 1 1 32 32 MET HE1 H 1 1.89 . . 1 . . . . . . . . 1875 1 181 . 1 1 32 32 MET HE2 H 1 1.89 . . 1 . . . . . . . . 1875 1 182 . 1 1 32 32 MET HE3 H 1 1.89 . . 1 . . . . . . . . 1875 1 183 . 1 1 33 33 THR CA C 13 62.2 . . 1 . . . . . . . . 1875 1 184 . 1 1 33 33 THR HA H 1 4.58 . . 1 . . . . . . . . 1875 1 185 . 1 1 33 33 THR CB C 13 67.1 . . 1 . . . . . . . . 1875 1 186 . 1 1 33 33 THR HB H 1 3.99 . . 1 . . . . . . . . 1875 1 187 . 1 1 33 33 THR HG21 H 1 1.03 . . 1 . . . . . . . . 1875 1 188 . 1 1 33 33 THR HG22 H 1 1.03 . . 1 . . . . . . . . 1875 1 189 . 1 1 33 33 THR HG23 H 1 1.03 . . 1 . . . . . . . . 1875 1 190 . 1 1 34 34 PHE CA C 13 55.8 . . 1 . . . . . . . . 1875 1 191 . 1 1 34 34 PHE HA H 1 4.99 . . 1 . . . . . . . . 1875 1 192 . 1 1 34 34 PHE CB C 13 40.9 . . 1 . . . . . . . . 1875 1 193 . 1 1 34 34 PHE HB2 H 1 2.87 . . 1 . . . . . . . . 1875 1 194 . 1 1 34 34 PHE HB3 H 1 2.87 . . 1 . . . . . . . . 1875 1 195 . 1 1 34 34 PHE CD1 C 13 129.7 . . 1 . . . . . . . . 1875 1 196 . 1 1 34 34 PHE CD2 C 13 129.7 . . 1 . . . . . . . . 1875 1 197 . 1 1 34 34 PHE CE1 C 13 129.7 . . 1 . . . . . . . . 1875 1 198 . 1 1 34 34 PHE HD1 H 1 6.92 . . 1 . . . . . . . . 1875 1 199 . 1 1 34 34 PHE CE2 C 13 129.7 . . 1 . . . . . . . . 1875 1 200 . 1 1 34 34 PHE HD2 H 1 6.92 . . 1 . . . . . . . . 1875 1 201 . 1 1 34 34 PHE CZ C 13 128.1 . . 1 . . . . . . . . 1875 1 202 . 1 1 34 34 PHE HE1 H 1 6.92 . . 1 . . . . . . . . 1875 1 203 . 1 1 34 34 PHE HE2 H 1 6.92 . . 1 . . . . . . . . 1875 1 204 . 1 1 34 34 PHE HZ H 1 6.64 . . 1 . . . . . . . . 1875 1 205 . 1 1 35 35 ARG CA C 13 51.1 . . 1 . . . . . . . . 1875 1 206 . 1 1 35 35 ARG HA H 1 5.25 . . 1 . . . . . . . . 1875 1 207 . 1 1 35 35 ARG HB2 H 1 1.85 . . 1 . . . . . . . . 1875 1 208 . 1 1 35 35 ARG HB3 H 1 1.85 . . 1 . . . . . . . . 1875 1 209 . 1 1 36 36 LEU CA C 13 53.8 . . 1 . . . . . . . . 1875 1 210 . 1 1 36 36 LEU CG C 13 26.6 . . 1 . . . . . . . . 1875 1 211 . 1 1 36 36 LEU CD1 C 13 25 . . 2 . . . . . . . . 1875 1 212 . 1 1 36 36 LEU CD2 C 13 22.8 . . 2 . . . . . . . . 1875 1 213 . 1 1 36 36 LEU HG H 1 1.65 . . 1 . . . . . . . . 1875 1 214 . 1 1 36 36 LEU HD11 H 1 .79 . . 2 . . . . . . . . 1875 1 215 . 1 1 36 36 LEU HD12 H 1 .79 . . 2 . . . . . . . . 1875 1 216 . 1 1 36 36 LEU HD13 H 1 .79 . . 2 . . . . . . . . 1875 1 217 . 1 1 36 36 LEU HD21 H 1 .72 . . 2 . . . . . . . . 1875 1 218 . 1 1 36 36 LEU HD22 H 1 .72 . . 2 . . . . . . . . 1875 1 219 . 1 1 36 36 LEU HD23 H 1 .72 . . 2 . . . . . . . . 1875 1 220 . 1 1 37 37 LEU CA C 13 54.6 . . 1 . . . . . . . . 1875 1 221 . 1 1 37 37 LEU CG C 13 26.2 . . 1 . . . . . . . . 1875 1 222 . 1 1 37 37 LEU CD1 C 13 25.3 . . 2 . . . . . . . . 1875 1 223 . 1 1 37 37 LEU CD2 C 13 23.9 . . 2 . . . . . . . . 1875 1 224 . 1 1 37 37 LEU HG H 1 1.29 . . 1 . . . . . . . . 1875 1 225 . 1 1 37 37 LEU HD11 H 1 .92 . . 2 . . . . . . . . 1875 1 226 . 1 1 37 37 LEU HD12 H 1 .92 . . 2 . . . . . . . . 1875 1 227 . 1 1 37 37 LEU HD13 H 1 .92 . . 2 . . . . . . . . 1875 1 228 . 1 1 37 37 LEU HD21 H 1 .57 . . 2 . . . . . . . . 1875 1 229 . 1 1 37 37 LEU HD22 H 1 .57 . . 2 . . . . . . . . 1875 1 230 . 1 1 37 37 LEU HD23 H 1 .57 . . 2 . . . . . . . . 1875 1 231 . 1 1 38 38 LEU CA C 13 55.7 . . 1 . . . . . . . . 1875 1 232 . 1 1 38 38 LEU CD1 C 13 25.5 . . 2 . . . . . . . . 1875 1 233 . 1 1 38 38 LEU CD2 C 13 23.2 . . 2 . . . . . . . . 1875 1 234 . 1 1 38 38 LEU HG H 1 1.8 . . 1 . . . . . . . . 1875 1 235 . 1 1 38 38 LEU HD11 H 1 1.11 . . 2 . . . . . . . . 1875 1 236 . 1 1 38 38 LEU HD12 H 1 1.11 . . 2 . . . . . . . . 1875 1 237 . 1 1 38 38 LEU HD13 H 1 1.11 . . 2 . . . . . . . . 1875 1 238 . 1 1 38 38 LEU HD21 H 1 1.06 . . 2 . . . . . . . . 1875 1 239 . 1 1 38 38 LEU HD22 H 1 1.06 . . 2 . . . . . . . . 1875 1 240 . 1 1 38 38 LEU HD23 H 1 1.06 . . 2 . . . . . . . . 1875 1 241 . 1 1 39 39 VAL CA C 13 57.5 . . 1 . . . . . . . . 1875 1 242 . 1 1 39 39 VAL HA H 1 5.23 . . 1 . . . . . . . . 1875 1 243 . 1 1 39 39 VAL CG1 C 13 20.3 . . 2 . . . . . . . . 1875 1 244 . 1 1 39 39 VAL CG2 C 13 18.6 . . 2 . . . . . . . . 1875 1 245 . 1 1 39 39 VAL HB H 1 1.88 . . 1 . . . . . . . . 1875 1 246 . 1 1 39 39 VAL HG11 H 1 .9 . . 2 . . . . . . . . 1875 1 247 . 1 1 39 39 VAL HG12 H 1 .9 . . 2 . . . . . . . . 1875 1 248 . 1 1 39 39 VAL HG13 H 1 .9 . . 2 . . . . . . . . 1875 1 249 . 1 1 39 39 VAL HG21 H 1 .82 . . 2 . . . . . . . . 1875 1 250 . 1 1 39 39 VAL HG22 H 1 .82 . . 2 . . . . . . . . 1875 1 251 . 1 1 39 39 VAL HG23 H 1 .82 . . 2 . . . . . . . . 1875 1 252 . 1 1 40 40 ASP HA H 1 5.15 . . 1 . . . . . . . . 1875 1 253 . 1 1 40 40 ASP HB2 H 1 2.52 . . 2 . . . . . . . . 1875 1 254 . 1 1 40 40 ASP HB3 H 1 2.35 . . 2 . . . . . . . . 1875 1 255 . 1 1 41 41 THR CA C 13 57.1 . . 1 . . . . . . . . 1875 1 256 . 1 1 41 41 THR HA H 1 4.84 . . 1 . . . . . . . . 1875 1 257 . 1 1 41 41 THR CB C 13 66.7 . . 1 . . . . . . . . 1875 1 258 . 1 1 41 41 THR CG2 C 13 21.3 . . 1 . . . . . . . . 1875 1 259 . 1 1 41 41 THR HB H 1 4.19 . . 1 . . . . . . . . 1875 1 260 . 1 1 41 41 THR HG21 H 1 1.15 . . 1 . . . . . . . . 1875 1 261 . 1 1 41 41 THR HG22 H 1 1.15 . . 1 . . . . . . . . 1875 1 262 . 1 1 41 41 THR HG23 H 1 1.15 . . 1 . . . . . . . . 1875 1 263 . 1 1 42 42 PRO CD C 13 49.1 . . 1 . . . . . . . . 1875 1 264 . 1 1 44 44 THR CA C 13 60.9 . . 1 . . . . . . . . 1875 1 265 . 1 1 44 44 THR HA H 1 4.42 . . 1 . . . . . . . . 1875 1 266 . 1 1 44 44 THR CB C 13 68.1 . . 1 . . . . . . . . 1875 1 267 . 1 1 44 44 THR CG2 C 13 20.6 . . 1 . . . . . . . . 1875 1 268 . 1 1 44 44 THR HB H 1 4.3 . . 1 . . . . . . . . 1875 1 269 . 1 1 44 44 THR HG21 H 1 1.16 . . 1 . . . . . . . . 1875 1 270 . 1 1 44 44 THR HG22 H 1 1.16 . . 1 . . . . . . . . 1875 1 271 . 1 1 44 44 THR HG23 H 1 1.16 . . 1 . . . . . . . . 1875 1 272 . 1 1 46 46 HIS CA C 13 52.5 . . 1 . . . . . . . . 1875 1 273 . 1 1 46 46 HIS HA H 1 4.94 . . 1 . . . . . . . . 1875 1 274 . 1 1 46 46 HIS CB C 13 28.2 . . 1 . . . . . . . . 1875 1 275 . 1 1 46 46 HIS CG C 13 130.2 . . 1 . . . . . . . . 1875 1 276 . 1 1 46 46 HIS HB2 H 1 3.18 . . 2 . . . . . . . . 1875 1 277 . 1 1 46 46 HIS HB3 H 1 3.11 . . 2 . . . . . . . . 1875 1 278 . 1 1 46 46 HIS CD2 C 13 118.6 . . 1 . . . . . . . . 1875 1 279 . 1 1 46 46 HIS CE1 C 13 135.6 . . 1 . . . . . . . . 1875 1 280 . 1 1 46 46 HIS HD2 H 1 7.28 . . 1 . . . . . . . . 1875 1 281 . 1 1 46 46 HIS HE1 H 1 8.33 . . 1 . . . . . . . . 1875 1 282 . 1 1 47 47 PRO CD C 13 49.1 . . 1 . . . . . . . . 1875 1 283 . 1 1 50 50 GLY CA C 13 44.1 . . 1 . . . . . . . . 1875 1 284 . 1 1 50 50 GLY HA2 H 1 3.81 . . 2 . . . . . . . . 1875 1 285 . 1 1 50 50 GLY HA3 H 1 4.14 . . 2 . . . . . . . . 1875 1 286 . 1 1 51 51 VAL CA C 13 60.8 . . 1 . . . . . . . . 1875 1 287 . 1 1 51 51 VAL HG11 H 1 .98 . . 2 . . . . . . . . 1875 1 288 . 1 1 51 51 VAL HG12 H 1 .98 . . 2 . . . . . . . . 1875 1 289 . 1 1 51 51 VAL HG13 H 1 .98 . . 2 . . . . . . . . 1875 1 290 . 1 1 51 51 VAL HG21 H 1 .96 . . 2 . . . . . . . . 1875 1 291 . 1 1 51 51 VAL HG22 H 1 .96 . . 2 . . . . . . . . 1875 1 292 . 1 1 51 51 VAL HG23 H 1 .96 . . 2 . . . . . . . . 1875 1 293 . 1 1 54 54 TYR CG C 13 129.9 . . 1 . . . . . . . . 1875 1 294 . 1 1 54 54 TYR CD1 C 13 130.9 . . 1 . . . . . . . . 1875 1 295 . 1 1 54 54 TYR CD2 C 13 130.9 . . 1 . . . . . . . . 1875 1 296 . 1 1 54 54 TYR CE1 C 13 117 . . 1 . . . . . . . . 1875 1 297 . 1 1 54 54 TYR HD1 H 1 6.89 . . 1 . . . . . . . . 1875 1 298 . 1 1 54 54 TYR CE2 C 13 117 . . 1 . . . . . . . . 1875 1 299 . 1 1 54 54 TYR HD2 H 1 6.89 . . 1 . . . . . . . . 1875 1 300 . 1 1 54 54 TYR CZ C 13 155.9 . . 1 . . . . . . . . 1875 1 301 . 1 1 54 54 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 1875 1 302 . 1 1 54 54 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 1875 1 303 . 1 1 55 55 GLY CA C 13 47.1 . . 1 . . . . . . . . 1875 1 304 . 1 1 55 55 GLY HA2 H 1 3.87 . . 1 . . . . . . . . 1875 1 305 . 1 1 55 55 GLY HA3 H 1 3.87 . . 1 . . . . . . . . 1875 1 306 . 1 1 56 56 PRO CD C 13 48.1 . . 1 . . . . . . . . 1875 1 307 . 1 1 58 58 ALA CA C 13 54.3 . . 1 . . . . . . . . 1875 1 308 . 1 1 58 58 ALA HA H 1 4.18 . . 1 . . . . . . . . 1875 1 309 . 1 1 58 58 ALA CB C 13 16.7 . . 1 . . . . . . . . 1875 1 310 . 1 1 58 58 ALA HB1 H 1 1.73 . . 1 . . . . . . . . 1875 1 311 . 1 1 58 58 ALA HB2 H 1 1.73 . . 1 . . . . . . . . 1875 1 312 . 1 1 58 58 ALA HB3 H 1 1.73 . . 1 . . . . . . . . 1875 1 313 . 1 1 59 59 SER CA C 13 58.1 . . 1 . . . . . . . . 1875 1 314 . 1 1 59 59 SER CB C 13 64.4 . . 1 . . . . . . . . 1875 1 315 . 1 1 60 60 ALA CA C 13 53.5 . . 1 . . . . . . . . 1875 1 316 . 1 1 60 60 ALA HA H 1 4.08 . . 1 . . . . . . . . 1875 1 317 . 1 1 60 60 ALA CB C 13 16.8 . . 1 . . . . . . . . 1875 1 318 . 1 1 60 60 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 1875 1 319 . 1 1 60 60 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 1875 1 320 . 1 1 60 60 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 1875 1 321 . 1 1 61 61 PHE CA C 13 60.3 . . 1 . . . . . . . . 1875 1 322 . 1 1 61 61 PHE HA H 1 4.06 . . 1 . . . . . . . . 1875 1 323 . 1 1 61 61 PHE CB C 13 38.3 . . 1 . . . . . . . . 1875 1 324 . 1 1 61 61 PHE CG C 13 136.4 . . 1 . . . . . . . . 1875 1 325 . 1 1 61 61 PHE HB2 H 1 3.34 . . 2 . . . . . . . . 1875 1 326 . 1 1 61 61 PHE HB3 H 1 3.17 . . 2 . . . . . . . . 1875 1 327 . 1 1 61 61 PHE CD1 C 13 130.8 . . 1 . . . . . . . . 1875 1 328 . 1 1 61 61 PHE CD2 C 13 130.8 . . 1 . . . . . . . . 1875 1 329 . 1 1 61 61 PHE CE1 C 13 129.1 . . 1 . . . . . . . . 1875 1 330 . 1 1 61 61 PHE HD1 H 1 7.14 . . 1 . . . . . . . . 1875 1 331 . 1 1 61 61 PHE CE2 C 13 129.1 . . 1 . . . . . . . . 1875 1 332 . 1 1 61 61 PHE HD2 H 1 7.14 . . 1 . . . . . . . . 1875 1 333 . 1 1 61 61 PHE CZ C 13 128.4 . . 1 . . . . . . . . 1875 1 334 . 1 1 61 61 PHE HE1 H 1 7.23 . . 1 . . . . . . . . 1875 1 335 . 1 1 61 61 PHE HE2 H 1 7.23 . . 1 . . . . . . . . 1875 1 336 . 1 1 61 61 PHE HZ H 1 7.23 . . 1 . . . . . . . . 1875 1 337 . 1 1 62 62 THR CA C 13 66.1 . . 1 . . . . . . . . 1875 1 338 . 1 1 62 62 THR HA H 1 3.58 . . 1 . . . . . . . . 1875 1 339 . 1 1 62 62 THR CB C 13 66.7 . . 1 . . . . . . . . 1875 1 340 . 1 1 62 62 THR CG2 C 13 20.7 . . 1 . . . . . . . . 1875 1 341 . 1 1 62 62 THR HB H 1 4.14 . . 1 . . . . . . . . 1875 1 342 . 1 1 62 62 THR HG21 H 1 1.03 . . 1 . . . . . . . . 1875 1 343 . 1 1 62 62 THR HG22 H 1 1.03 . . 1 . . . . . . . . 1875 1 344 . 1 1 62 62 THR HG23 H 1 1.03 . . 1 . . . . . . . . 1875 1 345 . 1 1 63 63 LYS CA C 13 58.8 . . 1 . . . . . . . . 1875 1 346 . 1 1 63 63 LYS HA H 1 3.58 . . 1 . . . . . . . . 1875 1 347 . 1 1 63 63 LYS HB2 H 1 1.78 . . 1 . . . . . . . . 1875 1 348 . 1 1 63 63 LYS HB3 H 1 1.78 . . 1 . . . . . . . . 1875 1 349 . 1 1 64 64 LYS CA C 13 57.7 . . 1 . . . . . . . . 1875 1 350 . 1 1 64 64 LYS HA H 1 3.94 . . 1 . . . . . . . . 1875 1 351 . 1 1 64 64 LYS HB2 H 1 1.74 . . 1 . . . . . . . . 1875 1 352 . 1 1 64 64 LYS HB3 H 1 1.74 . . 1 . . . . . . . . 1875 1 353 . 1 1 65 65 MET CA C 13 58.1 . . 1 . . . . . . . . 1875 1 354 . 1 1 65 65 MET HA H 1 3.93 . . 1 . . . . . . . . 1875 1 355 . 1 1 65 65 MET HB2 H 1 1.79 . . 1 . . . . . . . . 1875 1 356 . 1 1 65 65 MET HB3 H 1 1.79 . . 1 . . . . . . . . 1875 1 357 . 1 1 65 65 MET CE C 13 16.3 . . 1 . . . . . . . . 1875 1 358 . 1 1 65 65 MET HE1 H 1 1.95 . . 1 . . . . . . . . 1875 1 359 . 1 1 65 65 MET HE2 H 1 1.95 . . 1 . . . . . . . . 1875 1 360 . 1 1 65 65 MET HE3 H 1 1.95 . . 1 . . . . . . . . 1875 1 361 . 1 1 66 66 VAL CA C 13 62.8 . . 1 . . . . . . . . 1875 1 362 . 1 1 66 66 VAL HA H 1 4.16 . . 1 . . . . . . . . 1875 1 363 . 1 1 66 66 VAL HB H 1 2.17 . . 1 . . . . . . . . 1875 1 364 . 1 1 66 66 VAL HG11 H 1 1.16 . . 2 . . . . . . . . 1875 1 365 . 1 1 66 66 VAL HG12 H 1 1.16 . . 2 . . . . . . . . 1875 1 366 . 1 1 66 66 VAL HG13 H 1 1.16 . . 2 . . . . . . . . 1875 1 367 . 1 1 66 66 VAL HG21 H 1 .9 . . 2 . . . . . . . . 1875 1 368 . 1 1 66 66 VAL HG22 H 1 .9 . . 2 . . . . . . . . 1875 1 369 . 1 1 66 66 VAL HG23 H 1 .9 . . 2 . . . . . . . . 1875 1 370 . 1 1 67 67 GLU HA H 1 3.97 . . 1 . . . . . . . . 1875 1 371 . 1 1 67 67 GLU HB2 H 1 2.07 . . 1 . . . . . . . . 1875 1 372 . 1 1 67 67 GLU HB3 H 1 2.07 . . 1 . . . . . . . . 1875 1 373 . 1 1 68 68 ASN HA H 1 4.71 . . 1 . . . . . . . . 1875 1 374 . 1 1 68 68 ASN HB2 H 1 2.81 . . 2 . . . . . . . . 1875 1 375 . 1 1 68 68 ASN HB3 H 1 2.76 . . 2 . . . . . . . . 1875 1 376 . 1 1 69 69 ALA CA C 13 49.9 . . 1 . . . . . . . . 1875 1 377 . 1 1 69 69 ALA CB C 13 18 . . 1 . . . . . . . . 1875 1 378 . 1 1 69 69 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 1875 1 379 . 1 1 69 69 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 1875 1 380 . 1 1 69 69 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 1875 1 381 . 1 1 70 70 LYS CA C 13 56.3 . . 1 . . . . . . . . 1875 1 382 . 1 1 70 70 LYS HA H 1 4.38 . . 1 . . . . . . . . 1875 1 383 . 1 1 70 70 LYS HB2 H 1 2.04 . . 1 . . . . . . . . 1875 1 384 . 1 1 70 70 LYS HB3 H 1 2.04 . . 1 . . . . . . . . 1875 1 385 . 1 1 71 71 LYS CA C 13 53.9 . . 1 . . . . . . . . 1875 1 386 . 1 1 71 71 LYS HA H 1 4.68 . . 1 . . . . . . . . 1875 1 387 . 1 1 71 71 LYS HB2 H 1 1.84 . . 2 . . . . . . . . 1875 1 388 . 1 1 71 71 LYS HB3 H 1 1.7 . . 2 . . . . . . . . 1875 1 389 . 1 1 72 72 ILE CA C 13 57.1 . . 1 . . . . . . . . 1875 1 390 . 1 1 72 72 ILE HA H 1 5.27 . . 1 . . . . . . . . 1875 1 391 . 1 1 72 72 ILE CG2 C 13 16.1 . . 1 . . . . . . . . 1875 1 392 . 1 1 72 72 ILE HB H 1 1.89 . . 1 . . . . . . . . 1875 1 393 . 1 1 72 72 ILE CD1 C 13 11.3 . . 1 . . . . . . . . 1875 1 394 . 1 1 72 72 ILE HG12 H 1 1.17 . . 1 . . . . . . . . 1875 1 395 . 1 1 72 72 ILE HG13 H 1 1.17 . . 1 . . . . . . . . 1875 1 396 . 1 1 72 72 ILE HG21 H 1 .67 . . 1 . . . . . . . . 1875 1 397 . 1 1 72 72 ILE HG22 H 1 .67 . . 1 . . . . . . . . 1875 1 398 . 1 1 72 72 ILE HG23 H 1 .67 . . 1 . . . . . . . . 1875 1 399 . 1 1 72 72 ILE HD11 H 1 .89 . . 1 . . . . . . . . 1875 1 400 . 1 1 72 72 ILE HD12 H 1 .89 . . 1 . . . . . . . . 1875 1 401 . 1 1 72 72 ILE HD13 H 1 .89 . . 1 . . . . . . . . 1875 1 402 . 1 1 73 73 GLU CA C 13 52.3 . . 1 . . . . . . . . 1875 1 403 . 1 1 73 73 GLU HA H 1 5.26 . . 1 . . . . . . . . 1875 1 404 . 1 1 73 73 GLU HB2 H 1 1.74 . . 1 . . . . . . . . 1875 1 405 . 1 1 73 73 GLU HB3 H 1 1.74 . . 1 . . . . . . . . 1875 1 406 . 1 1 74 74 VAL CA C 13 58.2 . . 1 . . . . . . . . 1875 1 407 . 1 1 74 74 VAL HA H 1 4.59 . . 1 . . . . . . . . 1875 1 408 . 1 1 74 74 VAL CG1 C 13 20 . . 2 . . . . . . . . 1875 1 409 . 1 1 74 74 VAL CG2 C 13 18.9 . . 2 . . . . . . . . 1875 1 410 . 1 1 74 74 VAL HB H 1 1.32 . . 1 . . . . . . . . 1875 1 411 . 1 1 74 74 VAL HG11 H 1 .27 . . 2 . . . . . . . . 1875 1 412 . 1 1 74 74 VAL HG12 H 1 .27 . . 2 . . . . . . . . 1875 1 413 . 1 1 74 74 VAL HG13 H 1 .27 . . 2 . . . . . . . . 1875 1 414 . 1 1 74 74 VAL HG21 H 1 .13 . . 2 . . . . . . . . 1875 1 415 . 1 1 74 74 VAL HG22 H 1 .13 . . 2 . . . . . . . . 1875 1 416 . 1 1 74 74 VAL HG23 H 1 .13 . . 2 . . . . . . . . 1875 1 417 . 1 1 75 75 GLU CA C 13 53 . . 1 . . . . . . . . 1875 1 418 . 1 1 75 75 GLU HA H 1 5.15 . . 1 . . . . . . . . 1875 1 419 . 1 1 75 75 GLU HB2 H 1 2.9 . . 1 . . . . . . . . 1875 1 420 . 1 1 75 75 GLU HB3 H 1 2.9 . . 1 . . . . . . . . 1875 1 421 . 1 1 76 76 PHE CA C 13 57.9 . . 1 . . . . . . . . 1875 1 422 . 1 1 76 76 PHE HA H 1 4.81 . . 1 . . . . . . . . 1875 1 423 . 1 1 76 76 PHE CB C 13 38.4 . . 1 . . . . . . . . 1875 1 424 . 1 1 76 76 PHE CG C 13 138.6 . . 1 . . . . . . . . 1875 1 425 . 1 1 76 76 PHE HB2 H 1 2.93 . . 1 . . . . . . . . 1875 1 426 . 1 1 76 76 PHE HB3 H 1 2.93 . . 1 . . . . . . . . 1875 1 427 . 1 1 76 76 PHE CD1 C 13 131.2 . . 1 . . . . . . . . 1875 1 428 . 1 1 76 76 PHE CD2 C 13 131.2 . . 1 . . . . . . . . 1875 1 429 . 1 1 76 76 PHE CE1 C 13 129.7 . . 1 . . . . . . . . 1875 1 430 . 1 1 76 76 PHE HD1 H 1 7.7 . . 1 . . . . . . . . 1875 1 431 . 1 1 76 76 PHE CE2 C 13 129.7 . . 1 . . . . . . . . 1875 1 432 . 1 1 76 76 PHE HD2 H 1 7.7 . . 1 . . . . . . . . 1875 1 433 . 1 1 76 76 PHE CZ C 13 127.3 . . 1 . . . . . . . . 1875 1 434 . 1 1 76 76 PHE HE1 H 1 7.3 . . 1 . . . . . . . . 1875 1 435 . 1 1 76 76 PHE HE2 H 1 7.3 . . 1 . . . . . . . . 1875 1 436 . 1 1 76 76 PHE HZ H 1 6.82 . . 1 . . . . . . . . 1875 1 437 . 1 1 77 77 ASP CA C 13 50.4 . . 1 . . . . . . . . 1875 1 438 . 1 1 77 77 ASP HA H 1 5.29 . . 1 . . . . . . . . 1875 1 439 . 1 1 77 77 ASP HB2 H 1 3.78 . . 1 . . . . . . . . 1875 1 440 . 1 1 77 77 ASP HB3 H 1 3.78 . . 1 . . . . . . . . 1875 1 441 . 1 1 78 78 LYS CA C 13 56.3 . . 1 . . . . . . . . 1875 1 442 . 1 1 78 78 LYS HA H 1 4.25 . . 1 . . . . . . . . 1875 1 443 . 1 1 78 78 LYS HB2 H 1 1.93 . . 1 . . . . . . . . 1875 1 444 . 1 1 78 78 LYS HB3 H 1 1.93 . . 1 . . . . . . . . 1875 1 445 . 1 1 79 79 GLY CA C 13 43.1 . . 1 . . . . . . . . 1875 1 446 . 1 1 79 79 GLY HA2 H 1 3.31 . . 2 . . . . . . . . 1875 1 447 . 1 1 79 79 GLY HA3 H 1 4.38 . . 2 . . . . . . . . 1875 1 448 . 1 1 80 80 GLN HA H 1 4.17 . . 1 . . . . . . . . 1875 1 449 . 1 1 81 81 ARG CA C 13 55.6 . . 1 . . . . . . . . 1875 1 450 . 1 1 81 81 ARG HA H 1 4.17 . . 1 . . . . . . . . 1875 1 451 . 1 1 82 82 THR CA C 13 56.7 . . 1 . . . . . . . . 1875 1 452 . 1 1 82 82 THR HA H 1 5.6 . . 1 . . . . . . . . 1875 1 453 . 1 1 82 82 THR CB C 13 71.1 . . 1 . . . . . . . . 1875 1 454 . 1 1 82 82 THR CG2 C 13 19.8 . . 1 . . . . . . . . 1875 1 455 . 1 1 82 82 THR HB H 1 3.91 . . 1 . . . . . . . . 1875 1 456 . 1 1 82 82 THR HG21 H 1 .96 . . 1 . . . . . . . . 1875 1 457 . 1 1 82 82 THR HG22 H 1 .96 . . 1 . . . . . . . . 1875 1 458 . 1 1 82 82 THR HG23 H 1 .96 . . 1 . . . . . . . . 1875 1 459 . 1 1 83 83 ASP HA H 1 4.72 . . 1 . . . . . . . . 1875 1 460 . 1 1 84 84 LYS CA C 13 56.6 . . 1 . . . . . . . . 1875 1 461 . 1 1 84 84 LYS HB2 H 1 1.64 . . 1 . . . . . . . . 1875 1 462 . 1 1 84 84 LYS HB3 H 1 1.64 . . 1 . . . . . . . . 1875 1 463 . 1 1 84 84 LYS HG2 H 1 .56 . . 1 . . . . . . . . 1875 1 464 . 1 1 84 84 LYS HG3 H 1 .56 . . 1 . . . . . . . . 1875 1 465 . 1 1 84 84 LYS HD2 H 1 1.04 . . 1 . . . . . . . . 1875 1 466 . 1 1 84 84 LYS HD3 H 1 1.04 . . 1 . . . . . . . . 1875 1 467 . 1 1 85 85 TYR CA C 13 55.5 . . 1 . . . . . . . . 1875 1 468 . 1 1 85 85 TYR HA H 1 4.62 . . 1 . . . . . . . . 1875 1 469 . 1 1 85 85 TYR CG C 13 129.4 . . 1 . . . . . . . . 1875 1 470 . 1 1 85 85 TYR HB2 H 1 2.81 . . 1 . . . . . . . . 1875 1 471 . 1 1 85 85 TYR HB3 H 1 2.81 . . 1 . . . . . . . . 1875 1 472 . 1 1 85 85 TYR CD1 C 13 131.6 . . 1 . . . . . . . . 1875 1 473 . 1 1 85 85 TYR CD2 C 13 131.6 . . 1 . . . . . . . . 1875 1 474 . 1 1 85 85 TYR CE1 C 13 116.7 . . 1 . . . . . . . . 1875 1 475 . 1 1 85 85 TYR HD1 H 1 7.07 . . 1 . . . . . . . . 1875 1 476 . 1 1 85 85 TYR CE2 C 13 116.7 . . 1 . . . . . . . . 1875 1 477 . 1 1 85 85 TYR HD2 H 1 7.07 . . 1 . . . . . . . . 1875 1 478 . 1 1 85 85 TYR CZ C 13 155.7 . . 1 . . . . . . . . 1875 1 479 . 1 1 85 85 TYR HE1 H 1 6.84 . . 1 . . . . . . . . 1875 1 480 . 1 1 85 85 TYR HE2 H 1 6.84 . . 1 . . . . . . . . 1875 1 481 . 1 1 86 86 GLY CA C 13 43.9 . . 1 . . . . . . . . 1875 1 482 . 1 1 86 86 GLY HA2 H 1 3.63 . . 2 . . . . . . . . 1875 1 483 . 1 1 86 86 GLY HA3 H 1 4.23 . . 2 . . . . . . . . 1875 1 484 . 1 1 87 87 ARG CA C 13 53.7 . . 1 . . . . . . . . 1875 1 485 . 1 1 87 87 ARG HA H 1 4.47 . . 1 . . . . . . . . 1875 1 486 . 1 1 88 88 GLY CA C 13 43.4 . . 1 . . . . . . . . 1875 1 487 . 1 1 88 88 GLY HA2 H 1 2.73 . . 2 . . . . . . . . 1875 1 488 . 1 1 88 88 GLY HA3 H 1 4.48 . . 2 . . . . . . . . 1875 1 489 . 1 1 89 89 LEU CA C 13 51.6 . . 1 . . . . . . . . 1875 1 490 . 1 1 89 89 LEU HA H 1 5.13 . . 1 . . . . . . . . 1875 1 491 . 1 1 89 89 LEU HB2 H 1 1.77 . . 1 . . . . . . . . 1875 1 492 . 1 1 89 89 LEU HB3 H 1 1.77 . . 1 . . . . . . . . 1875 1 493 . 1 1 89 89 LEU CD1 C 13 23.9 . . 1 . . . . . . . . 1875 1 494 . 1 1 89 89 LEU CD2 C 13 23.9 . . 1 . . . . . . . . 1875 1 495 . 1 1 89 89 LEU HG H 1 1.51 . . 1 . . . . . . . . 1875 1 496 . 1 1 89 89 LEU HD11 H 1 .7 . . 1 . . . . . . . . 1875 1 497 . 1 1 89 89 LEU HD12 H 1 .7 . . 1 . . . . . . . . 1875 1 498 . 1 1 89 89 LEU HD13 H 1 .7 . . 1 . . . . . . . . 1875 1 499 . 1 1 89 89 LEU HD21 H 1 .7 . . 1 . . . . . . . . 1875 1 500 . 1 1 89 89 LEU HD22 H 1 .7 . . 1 . . . . . . . . 1875 1 501 . 1 1 89 89 LEU HD23 H 1 .7 . . 1 . . . . . . . . 1875 1 502 . 1 1 90 90 ALA CA C 13 49.2 . . 1 . . . . . . . . 1875 1 503 . 1 1 90 90 ALA HA H 1 4.85 . . 1 . . . . . . . . 1875 1 504 . 1 1 90 90 ALA CB C 13 22.6 . . 1 . . . . . . . . 1875 1 505 . 1 1 90 90 ALA HB1 H 1 .81 . . 1 . . . . . . . . 1875 1 506 . 1 1 90 90 ALA HB2 H 1 .81 . . 1 . . . . . . . . 1875 1 507 . 1 1 90 90 ALA HB3 H 1 .81 . . 1 . . . . . . . . 1875 1 508 . 1 1 91 91 TYR CA C 13 56.3 . . 1 . . . . . . . . 1875 1 509 . 1 1 91 91 TYR HA H 1 4.65 . . 1 . . . . . . . . 1875 1 510 . 1 1 91 91 TYR HB2 H 1 3.43 . . 1 . . . . . . . . 1875 1 511 . 1 1 91 91 TYR HB3 H 1 3.43 . . 1 . . . . . . . . 1875 1 512 . 1 1 91 91 TYR CE1 C 13 117.2 . . 1 . . . . . . . . 1875 1 513 . 1 1 91 91 TYR HD1 H 1 7.3 . . 1 . . . . . . . . 1875 1 514 . 1 1 91 91 TYR CE2 C 13 117.2 . . 1 . . . . . . . . 1875 1 515 . 1 1 91 91 TYR HD2 H 1 7.3 . . 1 . . . . . . . . 1875 1 516 . 1 1 91 91 TYR HE1 H 1 6.58 . . 1 . . . . . . . . 1875 1 517 . 1 1 91 91 TYR HE2 H 1 6.58 . . 1 . . . . . . . . 1875 1 518 . 1 1 92 92 ILE CA C 13 57.1 . . 1 . . . . . . . . 1875 1 519 . 1 1 92 92 ILE HA H 1 4.95 . . 1 . . . . . . . . 1875 1 520 . 1 1 92 92 ILE CG2 C 13 15.1 . . 1 . . . . . . . . 1875 1 521 . 1 1 92 92 ILE HB H 1 1.49 . . 1 . . . . . . . . 1875 1 522 . 1 1 92 92 ILE CD1 C 13 10.7 . . 1 . . . . . . . . 1875 1 523 . 1 1 92 92 ILE HG12 H 1 1.08 . . 2 . . . . . . . . 1875 1 524 . 1 1 92 92 ILE HG13 H 1 .97 . . 2 . . . . . . . . 1875 1 525 . 1 1 92 92 ILE HG21 H 1 .66 . . 1 . . . . . . . . 1875 1 526 . 1 1 92 92 ILE HG22 H 1 .66 . . 1 . . . . . . . . 1875 1 527 . 1 1 92 92 ILE HG23 H 1 .66 . . 1 . . . . . . . . 1875 1 528 . 1 1 92 92 ILE HD11 H 1 .34 . . 1 . . . . . . . . 1875 1 529 . 1 1 92 92 ILE HD12 H 1 .34 . . 1 . . . . . . . . 1875 1 530 . 1 1 92 92 ILE HD13 H 1 .34 . . 1 . . . . . . . . 1875 1 531 . 1 1 93 93 TYR CA C 13 54.8 . . 1 . . . . . . . . 1875 1 532 . 1 1 93 93 TYR HA H 1 5.1 . . 1 . . . . . . . . 1875 1 533 . 1 1 93 93 TYR HB2 H 1 2.84 . . 1 . . . . . . . . 1875 1 534 . 1 1 93 93 TYR HB3 H 1 2.84 . . 1 . . . . . . . . 1875 1 535 . 1 1 93 93 TYR CD1 C 13 130.9 . . 1 . . . . . . . . 1875 1 536 . 1 1 93 93 TYR CD2 C 13 130.9 . . 1 . . . . . . . . 1875 1 537 . 1 1 93 93 TYR CE1 C 13 116.4 . . 1 . . . . . . . . 1875 1 538 . 1 1 93 93 TYR HD1 H 1 6.65 . . 1 . . . . . . . . 1875 1 539 . 1 1 93 93 TYR CE2 C 13 116.4 . . 1 . . . . . . . . 1875 1 540 . 1 1 93 93 TYR HD2 H 1 6.65 . . 1 . . . . . . . . 1875 1 541 . 1 1 93 93 TYR CZ C 13 156.6 . . 1 . . . . . . . . 1875 1 542 . 1 1 93 93 TYR HE1 H 1 6.74 . . 1 . . . . . . . . 1875 1 543 . 1 1 93 93 TYR HE2 H 1 6.74 . . 1 . . . . . . . . 1875 1 544 . 1 1 94 94 ALA CA C 13 48.3 . . 1 . . . . . . . . 1875 1 545 . 1 1 94 94 ALA HA H 1 4.99 . . 1 . . . . . . . . 1875 1 546 . 1 1 94 94 ALA CB C 13 19.4 . . 1 . . . . . . . . 1875 1 547 . 1 1 94 94 ALA HB1 H 1 1.14 . . 1 . . . . . . . . 1875 1 548 . 1 1 94 94 ALA HB2 H 1 1.14 . . 1 . . . . . . . . 1875 1 549 . 1 1 94 94 ALA HB3 H 1 1.14 . . 1 . . . . . . . . 1875 1 550 . 1 1 95 95 ASP HA H 1 4.44 . . 1 . . . . . . . . 1875 1 551 . 1 1 95 95 ASP HB2 H 1 2.75 . . 1 . . . . . . . . 1875 1 552 . 1 1 95 95 ASP HB3 H 1 2.75 . . 1 . . . . . . . . 1875 1 553 . 1 1 96 96 GLY CA C 13 43.7 . . 1 . . . . . . . . 1875 1 554 . 1 1 96 96 GLY HA2 H 1 3.66 . . 2 . . . . . . . . 1875 1 555 . 1 1 96 96 GLY HA3 H 1 4.23 . . 2 . . . . . . . . 1875 1 556 . 1 1 97 97 LYS CA C 13 52.8 . . 1 . . . . . . . . 1875 1 557 . 1 1 97 97 LYS HA H 1 4.67 . . 1 . . . . . . . . 1875 1 558 . 1 1 97 97 LYS HB2 H 1 1.86 . . 2 . . . . . . . . 1875 1 559 . 1 1 97 97 LYS HB3 H 1 1.75 . . 2 . . . . . . . . 1875 1 560 . 1 1 98 98 MET CA C 13 54.5 . . 1 . . . . . . . . 1875 1 561 . 1 1 98 98 MET HA H 1 3.85 . . 1 . . . . . . . . 1875 1 562 . 1 1 98 98 MET HB2 H 1 1.99 . . 1 . . . . . . . . 1875 1 563 . 1 1 98 98 MET HB3 H 1 1.99 . . 1 . . . . . . . . 1875 1 564 . 1 1 98 98 MET CE C 13 12.9 . . 1 . . . . . . . . 1875 1 565 . 1 1 98 98 MET HE1 H 1 1.4 . . 1 . . . . . . . . 1875 1 566 . 1 1 98 98 MET HE2 H 1 1.4 . . 1 . . . . . . . . 1875 1 567 . 1 1 98 98 MET HE3 H 1 1.4 . . 1 . . . . . . . . 1875 1 568 . 1 1 99 99 VAL CA C 13 60.5 . . 1 . . . . . . . . 1875 1 569 . 1 1 99 99 VAL HA H 1 3.74 . . 1 . . . . . . . . 1875 1 570 . 1 1 99 99 VAL CG1 C 13 19.3 . . 1 . . . . . . . . 1875 1 571 . 1 1 99 99 VAL CG2 C 13 19.3 . . 1 . . . . . . . . 1875 1 572 . 1 1 99 99 VAL HB H 1 1.86 . . 1 . . . . . . . . 1875 1 573 . 1 1 99 99 VAL HG11 H 1 1.07 . . 2 . . . . . . . . 1875 1 574 . 1 1 99 99 VAL HG12 H 1 1.07 . . 2 . . . . . . . . 1875 1 575 . 1 1 99 99 VAL HG13 H 1 1.07 . . 2 . . . . . . . . 1875 1 576 . 1 1 99 99 VAL HG21 H 1 .98 . . 2 . . . . . . . . 1875 1 577 . 1 1 99 99 VAL HG22 H 1 .98 . . 2 . . . . . . . . 1875 1 578 . 1 1 99 99 VAL HG23 H 1 .98 . . 2 . . . . . . . . 1875 1 579 . 1 1 100 100 ASN HA H 1 4.06 . . 1 . . . . . . . . 1875 1 580 . 1 1 100 100 ASN HB2 H 1 2.9 . . 2 . . . . . . . . 1875 1 581 . 1 1 100 100 ASN HB3 H 1 2.74 . . 2 . . . . . . . . 1875 1 582 . 1 1 101 101 GLU CA C 13 58 . . 1 . . . . . . . . 1875 1 583 . 1 1 101 101 GLU HA H 1 3.7 . . 1 . . . . . . . . 1875 1 584 . 1 1 101 101 GLU HB2 H 1 2.26 . . 2 . . . . . . . . 1875 1 585 . 1 1 101 101 GLU HB3 H 1 1.94 . . 2 . . . . . . . . 1875 1 586 . 1 1 102 102 ALA CA C 13 53.8 . . 1 . . . . . . . . 1875 1 587 . 1 1 102 102 ALA CB C 13 16.8 . . 1 . . . . . . . . 1875 1 588 . 1 1 102 102 ALA HB1 H 1 1.7 . . 1 . . . . . . . . 1875 1 589 . 1 1 102 102 ALA HB2 H 1 1.7 . . 1 . . . . . . . . 1875 1 590 . 1 1 102 102 ALA HB3 H 1 1.7 . . 1 . . . . . . . . 1875 1 591 . 1 1 103 103 LEU CA C 13 56.5 . . 1 . . . . . . . . 1875 1 592 . 1 1 103 103 LEU HA H 1 3.34 . . 1 . . . . . . . . 1875 1 593 . 1 1 103 103 LEU HB2 H 1 1.7 . . 1 . . . . . . . . 1875 1 594 . 1 1 103 103 LEU HB3 H 1 1.7 . . 1 . . . . . . . . 1875 1 595 . 1 1 103 103 LEU CD1 C 13 23.1 . . 1 . . . . . . . . 1875 1 596 . 1 1 103 103 LEU CD2 C 13 23.1 . . 1 . . . . . . . . 1875 1 597 . 1 1 103 103 LEU HG H 1 1.59 . . 1 . . . . . . . . 1875 1 598 . 1 1 103 103 LEU HD11 H 1 .81 . . 1 . . . . . . . . 1875 1 599 . 1 1 103 103 LEU HD12 H 1 .81 . . 1 . . . . . . . . 1875 1 600 . 1 1 103 103 LEU HD13 H 1 .81 . . 1 . . . . . . . . 1875 1 601 . 1 1 103 103 LEU HD21 H 1 .81 . . 1 . . . . . . . . 1875 1 602 . 1 1 103 103 LEU HD22 H 1 .81 . . 1 . . . . . . . . 1875 1 603 . 1 1 103 103 LEU HD23 H 1 .81 . . 1 . . . . . . . . 1875 1 604 . 1 1 104 104 VAL CA C 13 63.5 . . 1 . . . . . . . . 1875 1 605 . 1 1 104 104 VAL HA H 1 3.92 . . 1 . . . . . . . . 1875 1 606 . 1 1 104 104 VAL CG1 C 13 20.2 . . 1 . . . . . . . . 1875 1 607 . 1 1 104 104 VAL CG2 C 13 20.2 . . 1 . . . . . . . . 1875 1 608 . 1 1 104 104 VAL HB H 1 2.1 . . 1 . . . . . . . . 1875 1 609 . 1 1 104 104 VAL HG11 H 1 1.04 . . 2 . . . . . . . . 1875 1 610 . 1 1 104 104 VAL HG12 H 1 1.04 . . 2 . . . . . . . . 1875 1 611 . 1 1 104 104 VAL HG13 H 1 1.04 . . 2 . . . . . . . . 1875 1 612 . 1 1 104 104 VAL HG21 H 1 1.01 . . 2 . . . . . . . . 1875 1 613 . 1 1 104 104 VAL HG22 H 1 1.01 . . 2 . . . . . . . . 1875 1 614 . 1 1 104 104 VAL HG23 H 1 1.01 . . 2 . . . . . . . . 1875 1 615 . 1 1 105 105 ARG CA C 13 55.5 . . 1 . . . . . . . . 1875 1 616 . 1 1 105 105 ARG HA H 1 4.13 . . 1 . . . . . . . . 1875 1 617 . 1 1 105 105 ARG HB2 H 1 2.01 . . 1 . . . . . . . . 1875 1 618 . 1 1 105 105 ARG HB3 H 1 2.01 . . 1 . . . . . . . . 1875 1 619 . 1 1 106 106 GLN HA H 1 4.34 . . 1 . . . . . . . . 1875 1 620 . 1 1 106 106 GLN HB2 H 1 2 . . 2 . . . . . . . . 1875 1 621 . 1 1 106 106 GLN HB3 H 1 1.47 . . 2 . . . . . . . . 1875 1 622 . 1 1 106 106 GLN HG2 H 1 2.38 . . 1 . . . . . . . . 1875 1 623 . 1 1 106 106 GLN HG3 H 1 2.38 . . 1 . . . . . . . . 1875 1 624 . 1 1 107 107 GLY CA C 13 44.9 . . 1 . . . . . . . . 1875 1 625 . 1 1 107 107 GLY HA2 H 1 4.01 . . 2 . . . . . . . . 1875 1 626 . 1 1 107 107 GLY HA3 H 1 4.28 . . 2 . . . . . . . . 1875 1 627 . 1 1 108 108 LEU CA C 13 51.9 . . 1 . . . . . . . . 1875 1 628 . 1 1 108 108 LEU HA H 1 4.36 . . 1 . . . . . . . . 1875 1 629 . 1 1 108 108 LEU HB2 H 1 1.47 . . 1 . . . . . . . . 1875 1 630 . 1 1 108 108 LEU HB3 H 1 1.47 . . 1 . . . . . . . . 1875 1 631 . 1 1 108 108 LEU CD1 C 13 24.3 . . 2 . . . . . . . . 1875 1 632 . 1 1 108 108 LEU CD2 C 13 21.3 . . 2 . . . . . . . . 1875 1 633 . 1 1 108 108 LEU HG H 1 1.23 . . 1 . . . . . . . . 1875 1 634 . 1 1 108 108 LEU HD11 H 1 .78 . . 2 . . . . . . . . 1875 1 635 . 1 1 108 108 LEU HD12 H 1 .78 . . 2 . . . . . . . . 1875 1 636 . 1 1 108 108 LEU HD13 H 1 .78 . . 2 . . . . . . . . 1875 1 637 . 1 1 108 108 LEU HD21 H 1 .48 . . 2 . . . . . . . . 1875 1 638 . 1 1 108 108 LEU HD22 H 1 .48 . . 2 . . . . . . . . 1875 1 639 . 1 1 108 108 LEU HD23 H 1 .48 . . 2 . . . . . . . . 1875 1 640 . 1 1 109 109 ALA CA C 13 48.8 . . 1 . . . . . . . . 1875 1 641 . 1 1 109 109 ALA HA H 1 4.44 . . 1 . . . . . . . . 1875 1 642 . 1 1 109 109 ALA CB C 13 20.2 . . 1 . . . . . . . . 1875 1 643 . 1 1 109 109 ALA HB1 H 1 1.08 . . 1 . . . . . . . . 1875 1 644 . 1 1 109 109 ALA HB2 H 1 1.08 . . 1 . . . . . . . . 1875 1 645 . 1 1 109 109 ALA HB3 H 1 1.08 . . 1 . . . . . . . . 1875 1 646 . 1 1 110 110 LYS CA C 13 52.5 . . 1 . . . . . . . . 1875 1 647 . 1 1 110 110 LYS HA H 1 5.11 . . 1 . . . . . . . . 1875 1 648 . 1 1 110 110 LYS HB2 H 1 1.88 . . 1 . . . . . . . . 1875 1 649 . 1 1 110 110 LYS HB3 H 1 1.88 . . 1 . . . . . . . . 1875 1 650 . 1 1 111 111 VAL CA C 13 61.9 . . 1 . . . . . . . . 1875 1 651 . 1 1 111 111 VAL HB H 1 2 . . 1 . . . . . . . . 1875 1 652 . 1 1 111 111 VAL HG11 H 1 .98 . . 2 . . . . . . . . 1875 1 653 . 1 1 111 111 VAL HG12 H 1 .98 . . 2 . . . . . . . . 1875 1 654 . 1 1 111 111 VAL HG13 H 1 .98 . . 2 . . . . . . . . 1875 1 655 . 1 1 111 111 VAL HG21 H 1 .92 . . 2 . . . . . . . . 1875 1 656 . 1 1 111 111 VAL HG22 H 1 .92 . . 2 . . . . . . . . 1875 1 657 . 1 1 111 111 VAL HG23 H 1 .92 . . 2 . . . . . . . . 1875 1 658 . 1 1 112 112 ALA CA C 13 49.6 . . 1 . . . . . . . . 1875 1 659 . 1 1 112 112 ALA HA H 1 4.23 . . 1 . . . . . . . . 1875 1 660 . 1 1 112 112 ALA CB C 13 20.8 . . 1 . . . . . . . . 1875 1 661 . 1 1 112 112 ALA HB1 H 1 1.01 . . 1 . . . . . . . . 1875 1 662 . 1 1 112 112 ALA HB2 H 1 1.01 . . 1 . . . . . . . . 1875 1 663 . 1 1 112 112 ALA HB3 H 1 1.01 . . 1 . . . . . . . . 1875 1 664 . 1 1 113 113 TYR CA C 13 56.8 . . 1 . . . . . . . . 1875 1 665 . 1 1 113 113 TYR HA H 1 3.97 . . 1 . . . . . . . . 1875 1 666 . 1 1 113 113 TYR CG C 13 129.9 . . 1 . . . . . . . . 1875 1 667 . 1 1 113 113 TYR HB2 H 1 3.04 . . 1 . . . . . . . . 1875 1 668 . 1 1 113 113 TYR HB3 H 1 3.04 . . 1 . . . . . . . . 1875 1 669 . 1 1 113 113 TYR CD1 C 13 131.7 . . 1 . . . . . . . . 1875 1 670 . 1 1 113 113 TYR CD2 C 13 131.7 . . 1 . . . . . . . . 1875 1 671 . 1 1 113 113 TYR CE1 C 13 116.6 . . 1 . . . . . . . . 1875 1 672 . 1 1 113 113 TYR HD1 H 1 6.97 . . 1 . . . . . . . . 1875 1 673 . 1 1 113 113 TYR CE2 C 13 116.6 . . 1 . . . . . . . . 1875 1 674 . 1 1 113 113 TYR HD2 H 1 6.97 . . 1 . . . . . . . . 1875 1 675 . 1 1 113 113 TYR CZ C 13 155.5 . . 1 . . . . . . . . 1875 1 676 . 1 1 113 113 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 1875 1 677 . 1 1 113 113 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 1875 1 678 . 1 1 114 114 VAL CA C 13 60.5 . . 1 . . . . . . . . 1875 1 679 . 1 1 114 114 VAL HA H 1 3.75 . . 1 . . . . . . . . 1875 1 680 . 1 1 114 114 VAL CG1 C 13 20.6 . . 2 . . . . . . . . 1875 1 681 . 1 1 114 114 VAL CG2 C 13 19.1 . . 2 . . . . . . . . 1875 1 682 . 1 1 114 114 VAL HB H 1 1.86 . . 1 . . . . . . . . 1875 1 683 . 1 1 114 114 VAL HG11 H 1 .75 . . 2 . . . . . . . . 1875 1 684 . 1 1 114 114 VAL HG12 H 1 .75 . . 2 . . . . . . . . 1875 1 685 . 1 1 114 114 VAL HG13 H 1 .75 . . 2 . . . . . . . . 1875 1 686 . 1 1 114 114 VAL HG21 H 1 .72 . . 2 . . . . . . . . 1875 1 687 . 1 1 114 114 VAL HG22 H 1 .72 . . 2 . . . . . . . . 1875 1 688 . 1 1 114 114 VAL HG23 H 1 .72 . . 2 . . . . . . . . 1875 1 689 . 1 1 115 115 TYR CA C 13 53.5 . . 1 . . . . . . . . 1875 1 690 . 1 1 115 115 TYR HA H 1 4.84 . . 1 . . . . . . . . 1875 1 691 . 1 1 115 115 TYR CG C 13 129.6 . . 1 . . . . . . . . 1875 1 692 . 1 1 115 115 TYR HB2 H 1 3.05 . . 1 . . . . . . . . 1875 1 693 . 1 1 115 115 TYR HB3 H 1 3.05 . . 1 . . . . . . . . 1875 1 694 . 1 1 115 115 TYR CD1 C 13 132.2 . . 1 . . . . . . . . 1875 1 695 . 1 1 115 115 TYR CD2 C 13 132.2 . . 1 . . . . . . . . 1875 1 696 . 1 1 115 115 TYR CE1 C 13 116.5 . . 1 . . . . . . . . 1875 1 697 . 1 1 115 115 TYR HD1 H 1 7.2 . . 1 . . . . . . . . 1875 1 698 . 1 1 115 115 TYR CE2 C 13 116.5 . . 1 . . . . . . . . 1875 1 699 . 1 1 115 115 TYR HD2 H 1 7.2 . . 1 . . . . . . . . 1875 1 700 . 1 1 115 115 TYR CZ C 13 155.6 . . 1 . . . . . . . . 1875 1 701 . 1 1 115 115 TYR HE1 H 1 6.87 . . 1 . . . . . . . . 1875 1 702 . 1 1 115 115 TYR HE2 H 1 6.87 . . 1 . . . . . . . . 1875 1 703 . 1 1 116 116 LYS CA C 13 54.6 . . 1 . . . . . . . . 1875 1 704 . 1 1 116 116 LYS HA H 1 3.97 . . 1 . . . . . . . . 1875 1 705 . 1 1 116 116 LYS HB2 H 1 1.76 . . 1 . . . . . . . . 1875 1 706 . 1 1 116 116 LYS HB3 H 1 1.76 . . 1 . . . . . . . . 1875 1 707 . 1 1 118 118 ASN CA C 13 50.1 . . 1 . . . . . . . . 1875 1 708 . 1 1 118 118 ASN HA H 1 5.29 . . 1 . . . . . . . . 1875 1 709 . 1 1 118 118 ASN HB2 H 1 3.08 . . 1 . . . . . . . . 1875 1 710 . 1 1 118 118 ASN HB3 H 1 3.08 . . 1 . . . . . . . . 1875 1 711 . 1 1 119 119 ASN CA C 13 50.6 . . 1 . . . . . . . . 1875 1 712 . 1 1 119 119 ASN HA H 1 4.91 . . 1 . . . . . . . . 1875 1 713 . 1 1 120 120 THR CA C 13 67.5 . . 1 . . . . . . . . 1875 1 714 . 1 1 120 120 THR HA H 1 3.88 . . 1 . . . . . . . . 1875 1 715 . 1 1 120 120 THR CB C 13 65.1 . . 1 . . . . . . . . 1875 1 716 . 1 1 120 120 THR CG2 C 13 20.1 . . 1 . . . . . . . . 1875 1 717 . 1 1 120 120 THR HB H 1 3.81 . . 1 . . . . . . . . 1875 1 718 . 1 1 120 120 THR HG21 H 1 .76 . . 1 . . . . . . . . 1875 1 719 . 1 1 120 120 THR HG22 H 1 .76 . . 1 . . . . . . . . 1875 1 720 . 1 1 120 120 THR HG23 H 1 .76 . . 1 . . . . . . . . 1875 1 721 . 1 1 121 121 HIS CA C 13 51.9 . . 1 . . . . . . . . 1875 1 722 . 1 1 121 121 HIS HA H 1 5.48 . . 1 . . . . . . . . 1875 1 723 . 1 1 121 121 HIS HB2 H 1 3.26 . . 2 . . . . . . . . 1875 1 724 . 1 1 121 121 HIS HB3 H 1 2.35 . . 2 . . . . . . . . 1875 1 725 . 1 1 121 121 HIS CD2 C 13 117.8 . . 1 . . . . . . . . 1875 1 726 . 1 1 121 121 HIS CE1 C 13 136.3 . . 1 . . . . . . . . 1875 1 727 . 1 1 121 121 HIS HD2 H 1 4.33 . . 1 . . . . . . . . 1875 1 728 . 1 1 121 121 HIS HE1 H 1 7.91 . . 1 . . . . . . . . 1875 1 729 . 1 1 122 122 GLU CA C 13 59.7 . . 1 . . . . . . . . 1875 1 730 . 1 1 122 122 GLU HA H 1 3.71 . . 1 . . . . . . . . 1875 1 731 . 1 1 122 122 GLU HB2 H 1 2.21 . . 1 . . . . . . . . 1875 1 732 . 1 1 122 122 GLU HB3 H 1 2.21 . . 1 . . . . . . . . 1875 1 733 . 1 1 123 123 GLN HA H 1 4.01 . . 1 . . . . . . . . 1875 1 734 . 1 1 123 123 GLN HB2 H 1 2.14 . . 2 . . . . . . . . 1875 1 735 . 1 1 123 123 GLN HB3 H 1 1.99 . . 2 . . . . . . . . 1875 1 736 . 1 1 124 124 LEU CA C 13 56.7 . . 1 . . . . . . . . 1875 1 737 . 1 1 124 124 LEU HA H 1 4.1 . . 1 . . . . . . . . 1875 1 738 . 1 1 124 124 LEU CG C 13 25.6 . . 1 . . . . . . . . 1875 1 739 . 1 1 124 124 LEU HB2 H 1 1.8 . . 1 . . . . . . . . 1875 1 740 . 1 1 124 124 LEU HB3 H 1 1.8 . . 1 . . . . . . . . 1875 1 741 . 1 1 124 124 LEU CD1 C 13 24.1 . . 2 . . . . . . . . 1875 1 742 . 1 1 124 124 LEU CD2 C 13 22.4 . . 2 . . . . . . . . 1875 1 743 . 1 1 124 124 LEU HG H 1 1.5 . . 1 . . . . . . . . 1875 1 744 . 1 1 124 124 LEU HD11 H 1 .89 . . 2 . . . . . . . . 1875 1 745 . 1 1 124 124 LEU HD12 H 1 .89 . . 2 . . . . . . . . 1875 1 746 . 1 1 124 124 LEU HD13 H 1 .89 . . 2 . . . . . . . . 1875 1 747 . 1 1 124 124 LEU HD21 H 1 .75 . . 2 . . . . . . . . 1875 1 748 . 1 1 124 124 LEU HD22 H 1 .75 . . 2 . . . . . . . . 1875 1 749 . 1 1 124 124 LEU HD23 H 1 .75 . . 2 . . . . . . . . 1875 1 750 . 1 1 125 125 LEU CA C 13 57.2 . . 1 . . . . . . . . 1875 1 751 . 1 1 125 125 LEU HA H 1 4.03 . . 1 . . . . . . . . 1875 1 752 . 1 1 125 125 LEU CG C 13 27.7 . . 1 . . . . . . . . 1875 1 753 . 1 1 125 125 LEU HB2 H 1 1.88 . . 1 . . . . . . . . 1875 1 754 . 1 1 125 125 LEU HB3 H 1 1.88 . . 1 . . . . . . . . 1875 1 755 . 1 1 125 125 LEU CD1 C 13 22.6 . . 1 . . . . . . . . 1875 1 756 . 1 1 125 125 LEU CD2 C 13 22.6 . . 1 . . . . . . . . 1875 1 757 . 1 1 125 125 LEU HG H 1 1.81 . . 1 . . . . . . . . 1875 1 758 . 1 1 125 125 LEU HD11 H 1 .93 . . 2 . . . . . . . . 1875 1 759 . 1 1 125 125 LEU HD12 H 1 .93 . . 2 . . . . . . . . 1875 1 760 . 1 1 125 125 LEU HD13 H 1 .93 . . 2 . . . . . . . . 1875 1 761 . 1 1 125 125 LEU HD21 H 1 .79 . . 2 . . . . . . . . 1875 1 762 . 1 1 125 125 LEU HD22 H 1 .79 . . 2 . . . . . . . . 1875 1 763 . 1 1 125 125 LEU HD23 H 1 .79 . . 2 . . . . . . . . 1875 1 764 . 1 1 126 126 ARG CA C 13 58.8 . . 1 . . . . . . . . 1875 1 765 . 1 1 126 126 ARG HA H 1 4.04 . . 1 . . . . . . . . 1875 1 766 . 1 1 126 126 ARG HB2 H 1 1.98 . . 1 . . . . . . . . 1875 1 767 . 1 1 126 126 ARG HB3 H 1 1.98 . . 1 . . . . . . . . 1875 1 768 . 1 1 127 127 LYS CA C 13 58.3 . . 1 . . . . . . . . 1875 1 769 . 1 1 127 127 LYS HA H 1 4.16 . . 1 . . . . . . . . 1875 1 770 . 1 1 127 127 LYS HB2 H 1 2.04 . . 1 . . . . . . . . 1875 1 771 . 1 1 127 127 LYS HB3 H 1 2.04 . . 1 . . . . . . . . 1875 1 772 . 1 1 128 128 SER HA H 1 4.32 . . 1 . . . . . . . . 1875 1 773 . 1 1 128 128 SER HB2 H 1 4.1 . . 1 . . . . . . . . 1875 1 774 . 1 1 128 128 SER HB3 H 1 4.1 . . 1 . . . . . . . . 1875 1 775 . 1 1 129 129 GLU HA H 1 3.93 . . 1 . . . . . . . . 1875 1 776 . 1 1 129 129 GLU HB2 H 1 2.21 . . 1 . . . . . . . . 1875 1 777 . 1 1 129 129 GLU HB3 H 1 2.21 . . 1 . . . . . . . . 1875 1 778 . 1 1 130 130 ALA CA C 13 53.4 . . 1 . . . . . . . . 1875 1 779 . 1 1 130 130 ALA HA H 1 3.86 . . 1 . . . . . . . . 1875 1 780 . 1 1 130 130 ALA CB C 13 16.2 . . 1 . . . . . . . . 1875 1 781 . 1 1 130 130 ALA HB1 H 1 1.51 . . 1 . . . . . . . . 1875 1 782 . 1 1 130 130 ALA HB2 H 1 1.51 . . 1 . . . . . . . . 1875 1 783 . 1 1 130 130 ALA HB3 H 1 1.51 . . 1 . . . . . . . . 1875 1 784 . 1 1 131 131 GLN HA H 1 4.01 . . 1 . . . . . . . . 1875 1 785 . 1 1 131 131 GLN HB2 H 1 2.21 . . 1 . . . . . . . . 1875 1 786 . 1 1 131 131 GLN HB3 H 1 2.21 . . 1 . . . . . . . . 1875 1 787 . 1 1 132 132 ALA CA C 13 54.2 . . 1 . . . . . . . . 1875 1 788 . 1 1 132 132 ALA HA H 1 3.97 . . 1 . . . . . . . . 1875 1 789 . 1 1 132 132 ALA CB C 13 17 . . 1 . . . . . . . . 1875 1 790 . 1 1 132 132 ALA HB1 H 1 1.77 . . 1 . . . . . . . . 1875 1 791 . 1 1 132 132 ALA HB2 H 1 1.77 . . 1 . . . . . . . . 1875 1 792 . 1 1 132 132 ALA HB3 H 1 1.77 . . 1 . . . . . . . . 1875 1 793 . 1 1 133 133 LYS CA C 13 58 . . 1 . . . . . . . . 1875 1 794 . 1 1 133 133 LYS HA H 1 3.42 . . 1 . . . . . . . . 1875 1 795 . 1 1 133 133 LYS HB2 H 1 1.26 . . 2 . . . . . . . . 1875 1 796 . 1 1 133 133 LYS HB3 H 1 .78 . . 2 . . . . . . . . 1875 1 797 . 1 1 133 133 LYS HG2 H 1 .14 . . 1 . . . . . . . . 1875 1 798 . 1 1 133 133 LYS HG3 H 1 .14 . . 1 . . . . . . . . 1875 1 799 . 1 1 133 133 LYS HD2 H 1 .46 . . 1 . . . . . . . . 1875 1 800 . 1 1 133 133 LYS HD3 H 1 .46 . . 1 . . . . . . . . 1875 1 801 . 1 1 134 134 LYS CA C 13 57.7 . . 1 . . . . . . . . 1875 1 802 . 1 1 134 134 LYS HA H 1 3.98 . . 1 . . . . . . . . 1875 1 803 . 1 1 134 134 LYS HB2 H 1 1.96 . . 1 . . . . . . . . 1875 1 804 . 1 1 134 134 LYS HB3 H 1 1.96 . . 1 . . . . . . . . 1875 1 805 . 1 1 135 135 GLU CA C 13 55.1 . . 1 . . . . . . . . 1875 1 806 . 1 1 135 135 GLU HA H 1 4.07 . . 1 . . . . . . . . 1875 1 807 . 1 1 135 135 GLU HB2 H 1 2.05 . . 1 . . . . . . . . 1875 1 808 . 1 1 135 135 GLU HB3 H 1 2.05 . . 1 . . . . . . . . 1875 1 809 . 1 1 136 136 LYS CA C 13 55.2 . . 1 . . . . . . . . 1875 1 810 . 1 1 136 136 LYS HA H 1 3.57 . . 1 . . . . . . . . 1875 1 811 . 1 1 136 136 LYS HB2 H 1 2.08 . . 1 . . . . . . . . 1875 1 812 . 1 1 136 136 LYS HB3 H 1 2.08 . . 1 . . . . . . . . 1875 1 813 . 1 1 137 137 LEU CA C 13 53.5 . . 1 . . . . . . . . 1875 1 814 . 1 1 137 137 LEU HA H 1 4.21 . . 1 . . . . . . . . 1875 1 815 . 1 1 137 137 LEU CG C 13 25.1 . . 1 . . . . . . . . 1875 1 816 . 1 1 137 137 LEU HB2 H 1 1.54 . . 1 . . . . . . . . 1875 1 817 . 1 1 137 137 LEU HB3 H 1 1.54 . . 1 . . . . . . . . 1875 1 818 . 1 1 137 137 LEU CD1 C 13 23.8 . . 2 . . . . . . . . 1875 1 819 . 1 1 137 137 LEU CD2 C 13 21.6 . . 2 . . . . . . . . 1875 1 820 . 1 1 137 137 LEU HG H 1 1.67 . . 1 . . . . . . . . 1875 1 821 . 1 1 137 137 LEU HD11 H 1 1 . . 2 . . . . . . . . 1875 1 822 . 1 1 137 137 LEU HD12 H 1 1 . . 2 . . . . . . . . 1875 1 823 . 1 1 137 137 LEU HD13 H 1 1 . . 2 . . . . . . . . 1875 1 824 . 1 1 137 137 LEU HD21 H 1 .85 . . 2 . . . . . . . . 1875 1 825 . 1 1 137 137 LEU HD22 H 1 .85 . . 2 . . . . . . . . 1875 1 826 . 1 1 137 137 LEU HD23 H 1 .85 . . 2 . . . . . . . . 1875 1 827 . 1 1 138 138 ASN HA H 1 3.93 . . 1 . . . . . . . . 1875 1 828 . 1 1 138 138 ASN HB2 H 1 2.85 . . 1 . . . . . . . . 1875 1 829 . 1 1 138 138 ASN HB3 H 1 2.85 . . 1 . . . . . . . . 1875 1 830 . 1 1 139 139 ILE CA C 13 64.2 . . 1 . . . . . . . . 1875 1 831 . 1 1 139 139 ILE HA H 1 3.35 . . 1 . . . . . . . . 1875 1 832 . 1 1 139 139 ILE CG2 C 13 13.9 . . 1 . . . . . . . . 1875 1 833 . 1 1 139 139 ILE HB H 1 1.1 . . 1 . . . . . . . . 1875 1 834 . 1 1 139 139 ILE CD1 C 13 12 . . 1 . . . . . . . . 1875 1 835 . 1 1 139 139 ILE HG12 H 1 .51 . . 1 . . . . . . . . 1875 1 836 . 1 1 139 139 ILE HG13 H 1 .51 . . 1 . . . . . . . . 1875 1 837 . 1 1 139 139 ILE HG21 H 1 .17 . . 1 . . . . . . . . 1875 1 838 . 1 1 139 139 ILE HG22 H 1 .17 . . 1 . . . . . . . . 1875 1 839 . 1 1 139 139 ILE HG23 H 1 .17 . . 1 . . . . . . . . 1875 1 840 . 1 1 139 139 ILE HD11 H 1 .05 . . 1 . . . . . . . . 1875 1 841 . 1 1 139 139 ILE HD12 H 1 .05 . . 1 . . . . . . . . 1875 1 842 . 1 1 139 139 ILE HD13 H 1 .05 . . 1 . . . . . . . . 1875 1 843 . 1 1 140 140 TRP CA C 13 53.2 . . 1 . . . . . . . . 1875 1 844 . 1 1 140 140 TRP HA H 1 4.91 . . 1 . . . . . . . . 1875 1 845 . 1 1 140 140 TRP CB C 13 28.4 . . 1 . . . . . . . . 1875 1 846 . 1 1 140 140 TRP CG C 13 109.7 . . 1 . . . . . . . . 1875 1 847 . 1 1 140 140 TRP HB2 H 1 3.71 . . 2 . . . . . . . . 1875 1 848 . 1 1 140 140 TRP HB3 H 1 2.85 . . 2 . . . . . . . . 1875 1 849 . 1 1 140 140 TRP CD1 C 13 126.5 . . 1 . . . . . . . . 1875 1 850 . 1 1 140 140 TRP CD2 C 13 127.2 . . 1 . . . . . . . . 1875 1 851 . 1 1 140 140 TRP HD1 H 1 7.01 . . 1 . . . . . . . . 1875 1 852 . 1 1 140 140 TRP CE2 C 13 138.4 . . 1 . . . . . . . . 1875 1 853 . 1 1 140 140 TRP CE3 C 13 119.7 . . 1 . . . . . . . . 1875 1 854 . 1 1 140 140 TRP CZ2 C 13 113.3 . . 1 . . . . . . . . 1875 1 855 . 1 1 140 140 TRP CZ3 C 13 119.7 . . 1 . . . . . . . . 1875 1 856 . 1 1 140 140 TRP HE3 H 1 7.68 . . 1 . . . . . . . . 1875 1 857 . 1 1 140 140 TRP CH2 C 13 122.4 . . 1 . . . . . . . . 1875 1 858 . 1 1 140 140 TRP HZ2 H 1 7.51 . . 1 . . . . . . . . 1875 1 859 . 1 1 140 140 TRP HZ3 H 1 7.09 . . 1 . . . . . . . . 1875 1 860 . 1 1 140 140 TRP HH2 H 1 7.13 . . 1 . . . . . . . . 1875 1 861 . 1 1 140 140 TRP N N 15 120.8 . . 1 . . . . . . . . 1875 1 862 . 1 1 141 141 SER CA C 13 58.3 . . 1 . . . . . . . . 1875 1 863 . 1 1 141 141 SER HA H 1 4.24 . . 1 . . . . . . . . 1875 1 864 . 1 1 142 142 GLU HB2 H 1 1.97 . . 1 . . . . . . . . 1875 1 865 . 1 1 142 142 GLU HB3 H 1 1.97 . . 1 . . . . . . . . 1875 1 866 . 1 1 143 143 ASP HA H 1 4.7 . . 1 . . . . . . . . 1875 1 867 . 1 1 143 143 ASP HB2 H 1 2.7 . . 1 . . . . . . . . 1875 1 868 . 1 1 143 143 ASP HB3 H 1 2.7 . . 1 . . . . . . . . 1875 1 stop_ save_