data_4052 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4052 _Entry.Title ; Solution structures of Staphylococcal Nuclease from multidimensional, multinuclear NMR: nuclease-H124L and its ternary complex with Ca2+ and Thymidine-3'-5'-bisphosphate ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1997-08-01 _Entry.Accession_date 1997-08-15 _Entry.Last_release_date 2002-06-03 _Entry.Original_release_date 2002-06-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jinfeng Wang . . . 4052 2 Dagmar Truckses . M. . 4052 3 Frits Abildgaard . . . 4052 4 Zeljko Dzakula . . . 4052 5 Zsolt Zolnai . . . 4052 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4052 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 524 4052 '15N chemical shifts' 142 4052 '1H chemical shifts' 989 4052 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-06-03 1997-08-01 original author . 4052 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4053 'SNS ternary complex form with Ca2+ and Thymidine-3'-5'-bisphosphate.' 4052 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4052 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structures of Staphylococcal Nuclease from multidimensional, multinuclear NMR: nuclease-H124L and its ternary complex with Ca2+ and Thymidine-3'-5'-bisphosphate ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 143 _Citation.Page_last 164 _Citation.Year 1997 _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 . . . 4052 1 2 Dagmar Truckses . M. . 4052 1 3 Frits Abildgaard . . . 4052 1 4 Zeljko Dzakula . . . 4052 1 5 Zsolt Zolnai . . . 4052 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR, nuclear magnetic resonance' 4052 1 nuclease-H124L 4052 1 'staphylococcal nuclease' 4052 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_staph-nucl-H124L_system _Assembly.Sf_category assembly _Assembly.Sf_framecode staph-nucl-H124L_system _Assembly.Entry_ID 4052 _Assembly.ID 1 _Assembly.Name 'staphylococcal nuclease' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 16807 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4052 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Staphylococcal nuclease H124L' 1 $staph-nucl-H124L . . . native . . . . . 4052 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID staph-nucl-H124L abbreviation 4052 1 'staphylococcal nuclease' system 4052 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_staph-nucl-H124L _Entity.Sf_category entity _Entity.Sf_framecode staph-nucl-H124L _Entity.Entry_ID 4052 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'staphylococcal 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 . _Entity.Polymer_seq_one_letter_code ; ATSTKKLHKEPATLIKAIDG DTVKLMYKGQPMTFRLLLVD TPETKHPKKGVEKYGPEASA FTKKMVENAKKIEVEFDKGQ RTDKYGRGLAYIYADGKMVN EALVRQGLAKVAYVYKPNNT HEQLLRKSEAQAKKEKLNIW SEDNADSGQ ; _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 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16807 _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 97.32 99.33 4.82e-100 . . . . 4052 1 2 no BMRB 1581 . "micrococcal nuclease" . . . . . 96.64 156 97.22 99.31 1.68e-96 . . . . 4052 1 3 no BMRB 16585 . SNase140 . . . . . 93.96 140 100.00 100.00 3.54e-96 . . . . 4052 1 4 no BMRB 1704 . "micrococcal nuclease" . . . . . 95.97 143 100.00 100.00 1.56e-98 . . . . 4052 1 5 no BMRB 17718 . Staphylococcal_nuclease . . . . . 100.00 149 100.00 100.00 1.68e-103 . . . . 4052 1 6 no BMRB 18013 . SNase_PHS . . . . . 100.00 149 98.66 99.33 1.52e-101 . . . . 4052 1 7 no BMRB 1874 . "micrococcal nuclease" . . . . . 95.97 143 100.00 100.00 1.56e-98 . . . . 4052 1 8 no BMRB 1875 . "micrococcal nuclease" . . . . . 95.97 143 100.00 100.00 1.56e-98 . . . . 4052 1 9 no BMRB 1876 . "micrococcal nuclease" . . . . . 95.97 143 100.00 100.00 1.56e-98 . . . . 4052 1 10 no BMRB 1877 . "micrococcal nuclease" . . . . . 95.97 143 100.00 100.00 1.56e-98 . . . . 4052 1 11 no BMRB 1878 . "micrococcal nuclease" . . . . . 95.97 143 100.00 100.00 1.56e-98 . . . . 4052 1 12 no BMRB 18788 . staph_nuc_E43S . . . . . 100.00 149 99.33 99.33 7.60e-103 . . . . 4052 1 13 no BMRB 188 . "micrococcal nuclease" . . . . . 100.00 156 97.32 99.33 4.82e-100 . . . . 4052 1 14 no BMRB 189 . "micrococcal nuclease" . . . . . 100.00 156 97.32 99.33 4.82e-100 . . . . 4052 1 15 no BMRB 2784 . "micrococcal nuclease" . . . . . 100.00 156 97.32 99.33 4.82e-100 . . . . 4052 1 16 no BMRB 2785 . "micrococcal nuclease" . . . . . 100.00 156 97.32 99.33 4.82e-100 . . . . 4052 1 17 no BMRB 4010 . SNOB . . . . . 69.13 103 98.06 99.03 3.59e-65 . . . . 4052 1 18 no BMRB 4053 . "staphylococcal nuclease" . . . . . 100.00 149 100.00 100.00 1.68e-103 . . . . 4052 1 19 no PDB 1A2T . "Staphylococcal Nuclease, B-Mercaptoethanol Disulfide To V23c Variant" . . . . . 100.00 149 98.66 98.66 1.83e-101 . . . . 4052 1 20 no PDB 1A2U . "Staphylococcal Nuclease, V23c Variant, Complex With 1-N- Butane Thiol And 3',5'-Thymidine Diphosphate" . . . . . 100.00 149 98.66 98.66 1.83e-101 . . . . 4052 1 21 no PDB 1A3T . "Staphylococcal Nuclease, V23c Variant, Complex With 2- Fluoroethane Thiol And 3',5'-Thymidine Diphosphate" . . . . . 100.00 149 98.66 98.66 1.83e-101 . . . . 4052 1 22 no PDB 1A3U . "Staphylococcal Nuclease, Cyclohexane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.66 98.66 1.83e-101 . . . . 4052 1 23 no PDB 1A3V . "Staphylococcal Nuclease, Cyclopentane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.66 98.66 1.83e-101 . . . . 4052 1 24 no PDB 1AEX . "Staphylococcal Nuclease, Methane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.66 98.66 1.83e-101 . . . . 4052 1 25 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" . . . . . 90.60 135 98.52 99.26 5.17e-91 . . . . 4052 1 26 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 98.66 99.33 1.03e-101 . . . . 4052 1 27 no PDB 1EY0 . "Structure Of Wild-Type S. Nuclease At 1.6 A Resolution" . . . . . 100.00 149 99.33 99.33 2.24e-102 . . . . 4052 1 28 no PDB 1EY4 . "Structure Of S. Nuclease Stabilizing Mutant S59a" . . . . . 100.00 149 98.66 99.33 8.14e-102 . . . . 4052 1 29 no PDB 1EY5 . "Structure Of S. Nuclease Stabilizing Mutant T33v" . . . . . 100.00 149 98.66 98.66 1.21e-101 . . . . 4052 1 30 no PDB 1EY6 . "Structure Of S. Nuclease Stabilizing Mutant T41i" . . . . . 100.00 149 98.66 98.66 1.42e-101 . . . . 4052 1 31 no PDB 1EY7 . "Structure Of S. Nuclease Stabilizing Mutant S128a" . . . . . 100.00 149 98.66 99.33 8.14e-102 . . . . 4052 1 32 no PDB 1EY8 . "Structure Of S. Nuclease Stabilizing Triple Mutant P117gH124LS128A" . . . . . 100.00 149 98.66 99.33 1.52e-101 . . . . 4052 1 33 no PDB 1EY9 . "Structure Of S. Nuclease Stabilizing Quadruple Mutant T41iP117GH124LS128A" . . . . . 100.00 149 97.99 98.66 1.14e-100 . . . . 4052 1 34 no PDB 1EYA . "Structure Of S. Nuclease Stabilizing Quintuple Mutant T33vT41IP117GH124LS128A" . . . . . 100.00 149 97.32 97.99 4.69e-100 . . . . 4052 1 35 no PDB 1EYC . "Structure Of S. Nuclease Stabilizing Quintuple Mutant T41iS59AP117GH124LS128A" . . . . . 100.00 149 97.32 98.66 3.53e-100 . . . . 4052 1 36 no PDB 1EYD . "Structure Of Wild-Type S. Nuclease At 1.7 A Resolution" . . . . . 100.00 149 99.33 99.33 2.24e-102 . . . . 4052 1 37 no PDB 1EZ8 . "Structure Of S. Nuclease Stabilizing Mutant T33v" . . . . . 100.00 149 98.66 98.66 1.21e-101 . . . . 4052 1 38 no PDB 1F2M . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 97.99 97.99 4.52e-101 . . . . 4052 1 39 no PDB 1F2Y . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 97.99 97.99 1.62e-100 . . . . 4052 1 40 no PDB 1F2Z . "Simplification Of A Protein Loop In Staphylococcal Nuclease" . . . . . 100.00 149 97.99 97.99 1.62e-100 . . . . 4052 1 41 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 1.68e-103 . . . . 4052 1 42 no PDB 1JOO . "Averaged Structure For Unligated Staphylococcal Nuclease- H124l" . . . . . 100.00 149 100.00 100.00 1.68e-103 . . . . 4052 1 43 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 1.68e-103 . . . . 4052 1 44 no PDB 1JOR . "Ensemble Structures For Unligated Staphylococcal Nuclease- H124l" . . . . . 100.00 149 100.00 100.00 1.68e-103 . . . . 4052 1 45 no PDB 1KAA . "Stress And Strain In Staphylococcal Nuclease" . . . . . 91.28 136 98.53 98.53 1.52e-91 . . . . 4052 1 46 no PDB 1KAB . "Stress And Strain In Staphylococcal Nuclease" . . . . . 91.28 136 98.53 98.53 3.30e-91 . . . . 4052 1 47 no PDB 1KDA . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 97.32 98.66 4.53e-100 . . . . 4052 1 48 no PDB 1KDB . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 97.32 99.33 2.54e-100 . . . . 4052 1 49 no PDB 1KDC . "Stabilization Of A Strained Protein Loop Conformation Through Protein Engineering" . . . . . 100.00 149 97.32 98.66 3.20e-100 . . . . 4052 1 50 no PDB 1NSN . "The Crystal Structure Of Antibody N10-Staphylococcal Nuclease Complex At 2.9 Angstroms Resolution" . . . . . 100.00 149 97.99 99.33 6.78e-101 . . . . 4052 1 51 no PDB 1NUC . "Staphylococcal Nuclease, V23c Variant" . . . . . 100.00 149 98.66 98.66 6.98e-102 . . . . 4052 1 52 no PDB 1RKN . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With G88w Mutation" . . . . . 73.83 110 99.09 99.09 8.47e-71 . . . . 4052 1 53 no PDB 1SNC . "The Crystal Structure Of The Ternary Complex Of Staphylococcal Nuclease, Ca2+, And The Inhibitor PdTp, Refined At 1.65 Angstrom" . . . . . 100.00 149 99.33 99.33 2.24e-102 . . . . 4052 1 54 no PDB 1SNM . "Active Site Mutant Glu-43 (right Arrow) Asp In Staphylococcal Nuclease Displays Nonlocal Structural Changes" . . . . . 100.00 149 98.66 99.33 8.50e-102 . . . . 4052 1 55 no PDB 1SNO . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 100.00 100.00 1.68e-103 . . . . 4052 1 56 no PDB 1SNP . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 99.33 99.33 4.46e-102 . . . . 4052 1 57 no PDB 1SNQ . "Protein Stability In Staphylococcal Nuclease" . . . . . 100.00 149 98.66 98.66 7.00e-101 . . . . 4052 1 58 no PDB 1STA . "Accommodation Of Insertion Mutations On The Surface And In The Interior Of Staphylococcal Nuclease" . . . . . 101.34 151 98.01 98.01 3.00e-100 . . . . 4052 1 59 no PDB 1STB . "Accommodation Of Insertion Mutations On The Surface And In The Interior Of Staphylococcal Nuclease" . . . . . 100.67 150 98.67 98.67 1.83e-100 . . . . 4052 1 60 no PDB 1STG . "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" . . . . . 100.00 149 99.33 99.33 2.24e-102 . . . . 4052 1 61 no PDB 1STH . "Two Distinctly Different Metal Binding Modes Are Seen In X- Ray Crystal Structures Of Staphylococcal Nuclease- Cobalt(Ii)-Nucle" . . . . . 100.00 149 99.33 99.33 2.24e-102 . . . . 4052 1 62 no PDB 1STN . "The Crystal Structure Of Staphylococcal Nuclease Refined At 1.7 Angstroms Resolution" . . . . . 100.00 149 99.33 99.33 2.24e-102 . . . . 4052 1 63 no PDB 1STY . "The Alpha Aneurism: A Structural Motif Revealed In An Insertion Mutant Of Staphylococcal Nuclease" . . . . . 100.67 150 98.67 98.67 1.64e-100 . . . . 4052 1 64 no PDB 1SYC . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.66 98.66 6.21e-101 . . . . 4052 1 65 no PDB 1SYD . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.66 98.66 6.21e-101 . . . . 4052 1 66 no PDB 1SYE . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.66 98.66 2.53e-101 . . . . 4052 1 67 no PDB 1SYF . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.66 98.66 2.53e-101 . . . . 4052 1 68 no PDB 1SYG . "Engineering Alternative Beta-Turn Types In Staphylococcal Nuclease" . . . . . 100.00 149 98.66 98.66 2.48e-101 . . . . 4052 1 69 no PDB 1U9R . "Crystal Structure Of Staphylococcal Nuclease Mutant V66eP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 97.99 98.66 2.11e-100 . . . . 4052 1 70 no PDB 2ENB . "Crystal Structures Of The Binary Ca2+ And Pdtp Complexes And The Ternary Complex Of The Asp 21->glu Mutant Of Staphylococcal Nu" . . . . . 90.60 135 98.52 99.26 5.17e-91 . . . . 4052 1 71 no PDB 2EXZ . "Crystal Structure Of Staphylococcal Nuclease Mutant T22c" . . . . . 100.00 149 98.66 98.66 1.07e-101 . . . . 4052 1 72 no PDB 2EY1 . "Crystal Structure Of Staphylococcal Nuclease Mutant T22v" . . . . . 100.00 149 98.66 98.66 1.21e-101 . . . . 4052 1 73 no PDB 2EY2 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41c" . . . . . 100.00 149 98.66 98.66 1.07e-101 . . . . 4052 1 74 no PDB 2EY5 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41s" . . . . . 100.00 149 98.66 99.33 5.14e-102 . . . . 4052 1 75 no PDB 2EY6 . "Crystal Structure Of Staphylococcal Nuclease Mutant T41v" . . . . . 100.00 149 98.66 98.66 1.21e-101 . . . . 4052 1 76 no PDB 2EYF . "Crystal Structure Of Staphylococcal Nuclease Mutant T44v" . . . . . 100.00 149 98.66 98.66 1.21e-101 . . . . 4052 1 77 no PDB 2EYH . "Crystal Structure Of Staphylococcal Nuclease Mutant T62s" . . . . . 100.00 149 98.66 99.33 5.14e-102 . . . . 4052 1 78 no PDB 2EYJ . "Crystal Structure Of Staphylococcal Nuclease Mutant T62v" . . . . . 100.00 149 98.66 98.66 1.21e-101 . . . . 4052 1 79 no PDB 2EYL . "Crystal Structure Of Staphylococcal Nuclease Mutant T82s" . . . . . 100.00 149 98.66 99.33 5.14e-102 . . . . 4052 1 80 no PDB 2EYM . "Crystal Structure Of Staphylococcal Nuclease Mutant T120c" . . . . . 100.00 149 98.66 98.66 1.07e-101 . . . . 4052 1 81 no PDB 2EYO . "Crystal Structure Of Staphylococcal Nuclease Mutant T120s" . . . . . 100.00 149 98.66 99.33 5.14e-102 . . . . 4052 1 82 no PDB 2EYP . "Crystal Structure Of Staphylococcal Nuclease Mutant T120v" . . . . . 100.00 149 98.66 98.66 1.21e-101 . . . . 4052 1 83 no PDB 2F0D . "Crystal Structure Of Staphylococcal Nuclease Mutant I92v" . . . . . 100.00 149 98.66 99.33 3.29e-102 . . . . 4052 1 84 no PDB 2F0E . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l" . . . . . 100.00 149 98.66 99.33 7.29e-102 . . . . 4052 1 85 no PDB 2F0F . "Crystal Structure Of Staphylococcal Nuclease Mutant L25i" . . . . . 100.00 149 98.66 99.33 4.27e-102 . . . . 4052 1 86 no PDB 2F0G . "Crystal Structure Of Staphylococcal Nuclease Mutant V66i" . . . . . 100.00 149 98.66 99.33 3.51e-102 . . . . 4052 1 87 no PDB 2F0H . "Crystal Structure Of Staphylococcal Nuclease Mutant V66l" . . . . . 100.00 149 98.66 99.33 7.29e-102 . . . . 4052 1 88 no PDB 2F0I . "Crystal Structure Of Staphylococcal Nuclease Mutant I72l" . . . . . 100.00 149 98.66 99.33 5.93e-102 . . . . 4052 1 89 no PDB 2F0J . "Crystal Structure Of Staphylococcal Nuclease Mutant I72v" . . . . . 100.00 149 98.66 99.33 3.29e-102 . . . . 4052 1 90 no PDB 2F0K . "Crystal Structure Of Staphylococcal Nuclease Mutant V23iL25I" . . . . . 100.00 149 97.99 99.33 7.87e-102 . . . . 4052 1 91 no PDB 2F0L . "Crystal Structure Of Staphylococcal Nuclease Mutant V23lI72L" . . . . . 100.00 149 97.99 99.33 1.83e-101 . . . . 4052 1 92 no PDB 2F0M . "Crystal Structure Of Staphylococcal Nuclease Mutant V23lI72V" . . . . . 100.00 149 97.99 99.33 1.25e-101 . . . . 4052 1 93 no PDB 2F0N . "Crystal Structure Of Staphylococcal Nuclease Mutant L25iI72L" . . . . . 100.00 149 97.99 99.33 1.41e-101 . . . . 4052 1 94 no PDB 2F0O . "Crystal Structure Of Staphylococcal Nuclease Mutant V66iI72V" . . . . . 100.00 149 97.99 99.33 6.19e-102 . . . . 4052 1 95 no PDB 2F0P . "Crystal Structure Of Staphylococcal Nuclease Mutant V66iV99I" . . . . . 100.00 149 97.99 99.33 5.93e-102 . . . . 4052 1 96 no PDB 2F0Q . "Crystal Structure Of Staphylococcal Nuclease Mutant V66lI92L" . . . . . 100.00 149 97.99 99.33 1.83e-101 . . . . 4052 1 97 no PDB 2F0S . "Crystal Structure Of Staphylococcal Nuclease Mutant V66lI92V" . . . . . 100.00 149 97.99 99.33 1.25e-101 . . . . 4052 1 98 no PDB 2F0T . "Crystal Structure Of Staphylococcal Nuclease Mutant V66lV99I" . . . . . 100.00 149 97.99 99.33 1.13e-101 . . . . 4052 1 99 no PDB 2F0U . "Crystal Structure Of Staphylococcal Nuclease Mutant V23iL25II72V" . . . . . 100.00 149 97.32 99.33 1.18e-101 . . . . 4052 1 100 no PDB 2F0V . "Crystal Structure Of Staphylococcal Nuclease Mutant V23lV66LI72L" . . . . . 100.00 149 97.32 99.33 6.85e-101 . . . . 4052 1 101 no PDB 2F3V . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease With V66w Mutation" . . . . . 73.83 110 99.09 99.09 6.74e-71 . . . . 4052 1 102 no PDB 2F3W . "Solution Structure Of 1-110 Fragment Of Staphylococcal Nuclease In 2m Tmao" . . . . . 73.83 110 100.00 100.00 4.00e-72 . . . . 4052 1 103 no PDB 2KHS . "Solution Structure Of Snase121:snase(111-143) Complex" . . . . . 81.21 121 100.00 100.00 1.48e-81 . . . . 4052 1 104 no PDB 2KQ3 . "Solution Structure Of Snase140" . . . . . 93.96 140 100.00 100.00 3.54e-96 . . . . 4052 1 105 no PDB 2LKV . "Staphylococcal Nuclease Phs Variant" . . . . . 100.00 149 98.66 99.33 1.52e-101 . . . . 4052 1 106 no PDB 2M00 . "Solution Structure Of Staphylococcal Nuclease E43s Mutant In The Presence Of Ssdna And Cd2+" . . . . . 100.00 149 99.33 99.33 7.60e-103 . . . . 4052 1 107 no PDB 2NUC . "Staphlococcal Nuclease, Ethane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.66 98.66 1.83e-101 . . . . 4052 1 108 no PDB 2OXP . "Crystal Structure Of Staphylococcal Nuclease Mutant V66dP117GH124LS128A" . . . . . 100.00 149 97.99 98.66 3.13e-100 . . . . 4052 1 109 no PDB 2PW5 . "Crystal Structure Of Staphylococcal Nuclease Variant V66yP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 97.99 98.66 1.70e-100 . . . . 4052 1 110 no PDB 2PW7 . "Crystal Structure Of Staphylococcal Nuclease Variant V66yP117GH124LS128A AT 100K" . . . . . 100.00 149 97.99 98.66 1.70e-100 . . . . 4052 1 111 no PDB 2PYK . "Crystal Structure Of Staphylococcal Nuclease Variant V66qP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 97.99 98.66 1.85e-100 . . . . 4052 1 112 no PDB 2PZT . "Crystal Structure Of Staphylococcal Nuclease Variant V66qP117GH124LS128A AT 100 K" . . . . . 100.00 149 97.99 98.66 1.85e-100 . . . . 4052 1 113 no PDB 2PZU . "Crystal Structure Of Staphylococcal Nuclease Variant V66nP117GH124LS128A AT CRYOGENIC TEMPERATURE" . . . . . 100.00 149 97.99 98.66 2.25e-100 . . . . 4052 1 114 no PDB 2PZW . "Crystal Structure Of Staphylococcal Nuclease Variant V66nP117GH124LS128A AT ROOM TEMPERATURE" . . . . . 100.00 149 97.99 98.66 2.25e-100 . . . . 4052 1 115 no PDB 2RKS . "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38k At Cryogenic Temperature" . . . . . 100.00 149 97.99 98.66 1.91e-100 . . . . 4052 1 116 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 98.66 98.66 2.68e-101 . . . . 4052 1 117 no PDB 2SNS . "Staphylococcal Nuclease. Proposed Mechanism Of Action Based On Structure Of Enzyme-Thymidine 3(Prime),5(Prime)-Biphosphate-Calc" . . . . . 100.00 149 97.32 99.33 2.90e-100 . . . . 4052 1 118 no PDB 2SOB . "Sn-Ob, Ob-Fold Sub-Domain Of Staphylococcal Nuclease, Nmr, 10 Structures" . . . . . 69.13 103 98.06 99.03 3.59e-65 . . . . 4052 1 119 no PDB 3D6C . "Crystal Structure Of Staphylococcal Nuclease Variant Phs L38e At Cryogenic Temperature" . . . . . 100.00 149 97.99 98.66 2.18e-100 . . . . 4052 1 120 no PDB 3DMU . "Crystal Structure Of Staphylococcal Nuclease Variant Phs T62k At Cryogenic Temperature" . . . . . 100.00 149 97.99 98.66 1.36e-100 . . . . 4052 1 121 no PDB 3NUC . "Staphlococcal Nuclease, 1-N-Propane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.66 98.66 1.83e-101 . . . . 4052 1 122 no PDB 4G57 . "Staphylococcal Nuclease Double Mutant I72l, I92l" . . . . . 90.60 135 97.78 99.26 9.22e-91 . . . . 4052 1 123 no PDB 4H7B . "Crystal Structure Of Staphylococcal Nuclease Mutant I72vV99L" . . . . . 100.00 149 97.99 99.33 1.25e-101 . . . . 4052 1 124 no PDB 4ID6 . "Crystal Structure Of Staphylococcal Nuclease Mutant V23i/i72l" . . . . . 100.00 149 97.99 99.33 9.59e-102 . . . . 4052 1 125 no PDB 4K14 . "Crystal Structure Of Staphylococcal Nuclease Mutant V66i/v99l" . . . . . 91.28 136 97.79 99.26 1.49e-91 . . . . 4052 1 126 no PDB 4K5W . "Crystal Structure Of Staphylococcal Nuclease Variant V23m/l25f/t62f At Cryogenic Temperature" . . . . . 100.00 149 97.32 97.99 3.13e-100 . . . . 4052 1 127 no PDB 4K5X . "Crystal Structure Of Staphylococcal Nuclease Variant V23m/l36f At Cryogenic Temperature" . . . . . 100.00 149 97.99 98.66 2.56e-101 . . . . 4052 1 128 no PDB 4K6D . "Crystal Structure Of Staphylococcal Nuclease Variant V23m/t62f At Cryogenic Temperature" . . . . . 100.00 149 97.99 98.66 9.10e-101 . . . . 4052 1 129 no PDB 4K8I . "Crystal Structure Of Staphylococcal Nuclease Mutant I92v/v99l" . . . . . 90.60 135 97.78 99.26 6.94e-91 . . . . 4052 1 130 no PDB 4K8J . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l/v66i" . . . . . 90.60 135 97.78 99.26 5.96e-91 . . . . 4052 1 131 no PDB 4QB4 . "Crystal Structure Of Staphylococcal Nuclease Mutant V23l/l25v/v66l" . . . . . 91.28 136 97.06 99.26 9.22e-91 . . . . 4052 1 132 no PDB 4QF4 . "Crystal Structure Of Staphylococcal Nuclease Variant V23m At Cryogenic Temperature" . . . . . 100.00 149 97.32 97.99 1.09e-99 . . . . 4052 1 133 no PDB 4WOR . "Staphylococcal Nuclease In Complex With Ca2+ And Thymidine-3'-5'- Diphosphate (pdtp) At Room Temperature" . . . . . 100.00 149 99.33 99.33 2.24e-102 . . . . 4052 1 134 no PDB 5NUC . "Staphylococcal Nuclease, 1-N-Pentane Thiol Disulfide To V23c Variant" . . . . . 100.00 149 98.66 98.66 1.83e-101 . . . . 4052 1 135 no DBJ BAB41979 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus N315]" . . . . . 100.00 228 99.33 99.33 1.87e-103 . . . . 4052 1 136 no DBJ BAB56977 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus Mu50]" . . . . . 100.00 228 99.33 99.33 1.87e-103 . . . . 4052 1 137 no DBJ BAB94634 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus MW2]" . . . . . 100.00 228 100.00 100.00 4.11e-104 . . . . 4052 1 138 no DBJ BAF67032 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus str. Newman]" . . . . . 100.00 228 100.00 100.00 4.79e-104 . . . . 4052 1 139 no DBJ BAF77694 . "staphylococcal nuclease [Staphylococcus aureus subsp. aureus Mu3]" . . . . . 100.00 228 99.33 99.33 1.87e-103 . . . . 4052 1 140 no EMBL CAA24594 . "nuclease [Staphylococcus aureus]" . . . . . 100.00 231 99.33 99.33 8.29e-103 . . . . 4052 1 141 no EMBL CAG39855 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus MRSA252]" . . . . . 100.00 228 100.00 100.00 3.69e-104 . . . . 4052 1 142 no EMBL CAG42530 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus MSSA476]" . . . . . 100.00 228 100.00 100.00 4.11e-104 . . . . 4052 1 143 no EMBL CAI80436 . "staphylococcal thermonuclease precursor [Staphylococcus aureus RF122]" . . . . . 100.00 228 99.33 100.00 2.54e-103 . . . . 4052 1 144 no EMBL CAQ49298 . "thermonuclease (TNase) (Micrococcal nuclease)(Staphylococcal nuclease) [Staphylococcus aureus subsp. aureus ST398]" . . . . . 100.00 228 100.00 100.00 3.85e-104 . . . . 4052 1 145 no GB AAC14660 . "deltaSP-Nuc [Cloning vector pFUN]" . . . . . 100.00 155 99.33 99.33 2.84e-102 . . . . 4052 1 146 no GB AAW36415 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus COL]" . . . . . 100.00 228 100.00 100.00 4.79e-104 . . . . 4052 1 147 no GB ABD22328 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus USA300_FPR3757]" . . . . . 100.00 228 100.00 100.00 4.79e-104 . . . . 4052 1 148 no GB ABD29945 . "thermonuclease precursor [Staphylococcus aureus subsp. aureus NCTC 8325]" . . . . . 100.00 228 100.00 100.00 4.79e-104 . . . . 4052 1 149 no GB ABE02272 . "nuclease [Staphylococcus aureus]" . . . . . 97.32 227 99.31 99.31 5.21e-100 . . . . 4052 1 150 no PRF 1109959A . nuclease,staphylococcal . . . . . 100.00 242 99.33 99.33 9.63e-103 . . . . 4052 1 151 no PRF 710414A . nuclease . . . . . 100.00 149 99.33 99.33 2.24e-102 . . . . 4052 1 152 no REF WP_000141556 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 100.00 100.00 5.40e-104 . . . . 4052 1 153 no REF WP_000141557 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 99.33 99.33 1.87e-103 . . . . 4052 1 154 no REF WP_001548082 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 100.00 100.00 4.79e-104 . . . . 4052 1 155 no REF WP_001566557 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 100.00 100.00 4.59e-104 . . . . 4052 1 156 no REF WP_001574556 . "thermonuclease [Staphylococcus aureus]" . . . . . 100.00 228 100.00 100.00 3.85e-104 . . . . 4052 1 157 no SP P00644 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Contains:" . . . . . 100.00 231 99.33 99.33 8.29e-103 . . . . 4052 1 158 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 4.79e-104 . . . . 4052 1 159 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 4.11e-104 . . . . 4052 1 160 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 3.69e-104 . . . . 4052 1 161 no SP Q7A6P2 . "RecName: Full=Thermonuclease; Short=TNase; AltName: Full=Micrococcal nuclease; AltName: Full=Staphylococcal nuclease; Flags: Pr" . . . . . 100.00 228 99.33 99.33 1.87e-103 . . . . 4052 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Staphylococcal nuclease is a Ca2+ activated phosphodiesterase (extracellular) which degrades both DNA and RNA to 3' nucleotides. ; 4052 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID nuclease-H124L abbreviation 4052 1 'staphylococcal nuclease' common 4052 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 . 4052 1 2 . THR . 4052 1 3 . SER . 4052 1 4 . THR . 4052 1 5 . LYS . 4052 1 6 . LYS . 4052 1 7 . LEU . 4052 1 8 . HIS . 4052 1 9 . LYS . 4052 1 10 . GLU . 4052 1 11 . PRO . 4052 1 12 . ALA . 4052 1 13 . THR . 4052 1 14 . LEU . 4052 1 15 . ILE . 4052 1 16 . LYS . 4052 1 17 . ALA . 4052 1 18 . ILE . 4052 1 19 . ASP . 4052 1 20 . GLY . 4052 1 21 . ASP . 4052 1 22 . THR . 4052 1 23 . VAL . 4052 1 24 . LYS . 4052 1 25 . LEU . 4052 1 26 . MET . 4052 1 27 . TYR . 4052 1 28 . LYS . 4052 1 29 . GLY . 4052 1 30 . GLN . 4052 1 31 . PRO . 4052 1 32 . MET . 4052 1 33 . THR . 4052 1 34 . PHE . 4052 1 35 . ARG . 4052 1 36 . LEU . 4052 1 37 . LEU . 4052 1 38 . LEU . 4052 1 39 . VAL . 4052 1 40 . ASP . 4052 1 41 . THR . 4052 1 42 . PRO . 4052 1 43 . GLU . 4052 1 44 . THR . 4052 1 45 . LYS . 4052 1 46 . HIS . 4052 1 47 . PRO . 4052 1 48 . LYS . 4052 1 49 . LYS . 4052 1 50 . GLY . 4052 1 51 . VAL . 4052 1 52 . GLU . 4052 1 53 . LYS . 4052 1 54 . TYR . 4052 1 55 . GLY . 4052 1 56 . PRO . 4052 1 57 . GLU . 4052 1 58 . ALA . 4052 1 59 . SER . 4052 1 60 . ALA . 4052 1 61 . PHE . 4052 1 62 . THR . 4052 1 63 . LYS . 4052 1 64 . LYS . 4052 1 65 . MET . 4052 1 66 . VAL . 4052 1 67 . GLU . 4052 1 68 . ASN . 4052 1 69 . ALA . 4052 1 70 . LYS . 4052 1 71 . LYS . 4052 1 72 . ILE . 4052 1 73 . GLU . 4052 1 74 . VAL . 4052 1 75 . GLU . 4052 1 76 . PHE . 4052 1 77 . ASP . 4052 1 78 . LYS . 4052 1 79 . GLY . 4052 1 80 . GLN . 4052 1 81 . ARG . 4052 1 82 . THR . 4052 1 83 . ASP . 4052 1 84 . LYS . 4052 1 85 . TYR . 4052 1 86 . GLY . 4052 1 87 . ARG . 4052 1 88 . GLY . 4052 1 89 . LEU . 4052 1 90 . ALA . 4052 1 91 . TYR . 4052 1 92 . ILE . 4052 1 93 . TYR . 4052 1 94 . ALA . 4052 1 95 . ASP . 4052 1 96 . GLY . 4052 1 97 . LYS . 4052 1 98 . MET . 4052 1 99 . VAL . 4052 1 100 . ASN . 4052 1 101 . GLU . 4052 1 102 . ALA . 4052 1 103 . LEU . 4052 1 104 . VAL . 4052 1 105 . ARG . 4052 1 106 . GLN . 4052 1 107 . GLY . 4052 1 108 . LEU . 4052 1 109 . ALA . 4052 1 110 . LYS . 4052 1 111 . VAL . 4052 1 112 . ALA . 4052 1 113 . TYR . 4052 1 114 . VAL . 4052 1 115 . TYR . 4052 1 116 . LYS . 4052 1 117 . PRO . 4052 1 118 . ASN . 4052 1 119 . ASN . 4052 1 120 . THR . 4052 1 121 . HIS . 4052 1 122 . GLU . 4052 1 123 . GLN . 4052 1 124 . LEU . 4052 1 125 . LEU . 4052 1 126 . ARG . 4052 1 127 . LYS . 4052 1 128 . SER . 4052 1 129 . GLU . 4052 1 130 . ALA . 4052 1 131 . GLN . 4052 1 132 . ALA . 4052 1 133 . LYS . 4052 1 134 . LYS . 4052 1 135 . GLU . 4052 1 136 . LYS . 4052 1 137 . LEU . 4052 1 138 . ASN . 4052 1 139 . ILE . 4052 1 140 . TRP . 4052 1 141 . SER . 4052 1 142 . GLU . 4052 1 143 . ASP . 4052 1 144 . ASN . 4052 1 145 . ALA . 4052 1 146 . ASP . 4052 1 147 . SER . 4052 1 148 . GLY . 4052 1 149 . GLN . 4052 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 4052 1 . THR 2 2 4052 1 . SER 3 3 4052 1 . THR 4 4 4052 1 . LYS 5 5 4052 1 . LYS 6 6 4052 1 . LEU 7 7 4052 1 . HIS 8 8 4052 1 . LYS 9 9 4052 1 . GLU 10 10 4052 1 . PRO 11 11 4052 1 . ALA 12 12 4052 1 . THR 13 13 4052 1 . LEU 14 14 4052 1 . ILE 15 15 4052 1 . LYS 16 16 4052 1 . ALA 17 17 4052 1 . ILE 18 18 4052 1 . ASP 19 19 4052 1 . GLY 20 20 4052 1 . ASP 21 21 4052 1 . THR 22 22 4052 1 . VAL 23 23 4052 1 . LYS 24 24 4052 1 . LEU 25 25 4052 1 . MET 26 26 4052 1 . TYR 27 27 4052 1 . LYS 28 28 4052 1 . GLY 29 29 4052 1 . GLN 30 30 4052 1 . PRO 31 31 4052 1 . MET 32 32 4052 1 . THR 33 33 4052 1 . PHE 34 34 4052 1 . ARG 35 35 4052 1 . LEU 36 36 4052 1 . LEU 37 37 4052 1 . LEU 38 38 4052 1 . VAL 39 39 4052 1 . ASP 40 40 4052 1 . THR 41 41 4052 1 . PRO 42 42 4052 1 . GLU 43 43 4052 1 . THR 44 44 4052 1 . LYS 45 45 4052 1 . HIS 46 46 4052 1 . PRO 47 47 4052 1 . LYS 48 48 4052 1 . LYS 49 49 4052 1 . GLY 50 50 4052 1 . VAL 51 51 4052 1 . GLU 52 52 4052 1 . LYS 53 53 4052 1 . TYR 54 54 4052 1 . GLY 55 55 4052 1 . PRO 56 56 4052 1 . GLU 57 57 4052 1 . ALA 58 58 4052 1 . SER 59 59 4052 1 . ALA 60 60 4052 1 . PHE 61 61 4052 1 . THR 62 62 4052 1 . LYS 63 63 4052 1 . LYS 64 64 4052 1 . MET 65 65 4052 1 . VAL 66 66 4052 1 . GLU 67 67 4052 1 . ASN 68 68 4052 1 . ALA 69 69 4052 1 . LYS 70 70 4052 1 . LYS 71 71 4052 1 . ILE 72 72 4052 1 . GLU 73 73 4052 1 . VAL 74 74 4052 1 . GLU 75 75 4052 1 . PHE 76 76 4052 1 . ASP 77 77 4052 1 . LYS 78 78 4052 1 . GLY 79 79 4052 1 . GLN 80 80 4052 1 . ARG 81 81 4052 1 . THR 82 82 4052 1 . ASP 83 83 4052 1 . LYS 84 84 4052 1 . TYR 85 85 4052 1 . GLY 86 86 4052 1 . ARG 87 87 4052 1 . GLY 88 88 4052 1 . LEU 89 89 4052 1 . ALA 90 90 4052 1 . TYR 91 91 4052 1 . ILE 92 92 4052 1 . TYR 93 93 4052 1 . ALA 94 94 4052 1 . ASP 95 95 4052 1 . GLY 96 96 4052 1 . LYS 97 97 4052 1 . MET 98 98 4052 1 . VAL 99 99 4052 1 . ASN 100 100 4052 1 . GLU 101 101 4052 1 . ALA 102 102 4052 1 . LEU 103 103 4052 1 . VAL 104 104 4052 1 . ARG 105 105 4052 1 . GLN 106 106 4052 1 . GLY 107 107 4052 1 . LEU 108 108 4052 1 . ALA 109 109 4052 1 . LYS 110 110 4052 1 . VAL 111 111 4052 1 . ALA 112 112 4052 1 . TYR 113 113 4052 1 . VAL 114 114 4052 1 . TYR 115 115 4052 1 . LYS 116 116 4052 1 . PRO 117 117 4052 1 . ASN 118 118 4052 1 . ASN 119 119 4052 1 . THR 120 120 4052 1 . HIS 121 121 4052 1 . GLU 122 122 4052 1 . GLN 123 123 4052 1 . LEU 124 124 4052 1 . LEU 125 125 4052 1 . ARG 126 126 4052 1 . LYS 127 127 4052 1 . SER 128 128 4052 1 . GLU 129 129 4052 1 . ALA 130 130 4052 1 . GLN 131 131 4052 1 . ALA 132 132 4052 1 . LYS 133 133 4052 1 . LYS 134 134 4052 1 . GLU 135 135 4052 1 . LYS 136 136 4052 1 . LEU 137 137 4052 1 . ASN 138 138 4052 1 . ILE 139 139 4052 1 . TRP 140 140 4052 1 . SER 141 141 4052 1 . GLU 142 142 4052 1 . ASP 143 143 4052 1 . ASN 144 144 4052 1 . ALA 145 145 4052 1 . ASP 146 146 4052 1 . SER 147 147 4052 1 . GLY 148 148 4052 1 . GLN 149 149 4052 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 4052 _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 $staph-nucl-H124L . 1280 . . 'Staphylococcus aureus' 'S. aureus' . . Eubacteria . Staphylococcus aureus 'V8 strain' . . . . . . . . . . . . . . . . . . . . 4052 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 4052 _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 $staph-nucl-H124L . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pTSN2cc . . . ; native (Modified pTSN2cc (plasmid copy control region restored). Recombinant nuclease contains LEU at position 124 (sequence identical to that of the nuclease A produced by the V8 strain of S. aureus).) ; . . 4052 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4052 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'staphylococcal nuclease' [U-15N] . . 1 $staph-nucl-H124L . . . 3.5 5.0 mM . . . . 4052 1 2 KCL . . . . . . . 300 . . mM . . . . 4052 1 3 D2O . . . . . . . 10 . . % . . . . 4052 1 4 H2O . . . . . . . 90 . . % . . . . 4052 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4052 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'staphylococcal nuclease' '[U-13C; U-15N]' . . 1 $staph-nucl-H124L . . . 3.5 5.0 mM . . . . 4052 2 2 KCL . . . . . . . 300 . . mM . . . . 4052 2 3 D2O . . . . . . . 10 . . % . . . . 4052 2 4 H2O . . . . . . . 90 . . % . . . . 4052 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4052 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'staphylococcal nuclease' '[U-50% 2H]' . . 1 $staph-nucl-H124L . . . 3.5 5.0 mM . . . . 4052 3 2 KCL . . . . . . . 300 . . mM . . . . 4052 3 3 D2O . . . . . . . 10 . . % . . . . 4052 3 4 H2O . . . . . . . 90 . . % . . . . 4052 3 stop_ save_ save_sample_four _Sample.Sf_category sample _Sample.Sf_framecode sample_four _Sample.Entry_ID 4052 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'staphylococcal nuclease' '[13CB; 13CG1]-Val' . . 1 $staph-nucl-H124L . . . 3.5 5.0 mM . . . . 4052 4 2 KCL . . . . . . . 300 . . mM . . . . 4052 4 3 D2O . . . . . . . 10 . . % . . . . 4052 4 4 H2O . . . . . . . 90 . . % . . . . 4052 4 stop_ save_ save_sample_five _Sample.Sf_category sample _Sample.Sf_framecode sample_five _Sample.Entry_ID 4052 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'staphylococcal nuclease' '[13CG; 13CD1]-Leu' . . 1 $staph-nucl-H124L . . . 3.5 5.0 mM . . . . 4052 5 2 KCL . . . . . . . 300 . . mM . . . . 4052 5 3 D2O . . . . . . . 10 . . % . . . . 4052 5 4 H2O . . . . . . . 90 . . % . . . . 4052 5 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 4052 _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 5.1 . n/a 4052 1 pH* 5.5 . n/a 4052 1 temperature 318 . K 4052 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4052 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AM _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4052 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AM _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4052 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Bruker AM . 500 . . . 4052 1 2 NMR_spectrometer_two Bruker AM . 600 . . . 4052 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 4052 _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 COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4052 1 stop_ save_ save_NMR_applied_experiment _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment _NMR_spec_expt.Entry_ID 4052 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4052 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 4052 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 4052 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 4052 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4052 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; In our COSY type spectra, cross peaks are distinguished definitely between alpha proton and belta protons of ILE35 (HA-HB) and ASN50 (HA-HB2, HA-HB3). We also ovserved this in another sample (described in BMRB entry 4891). In our final calculation structure results, these protons (ILE35:HB, ASN50:HB#) are near to the indole ring of TRP29 and TRP28. We think the extraordinary high field shifts are due to the ring current. ; _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 . 4052 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 HA H 1 4.56 . . . . . . . . . . . 4052 1 2 . 1 1 7 7 LEU HB2 H 1 1.74 . . . . . . . . . . . 4052 1 3 . 1 1 7 7 LEU HB3 H 1 1.74 . . . . . . . . . . . 4052 1 4 . 1 1 7 7 LEU HG H 1 1.84 . . . . . . . . . . . 4052 1 5 . 1 1 7 7 LEU HD11 H 1 0.93 . . . . . . . . . . . 4052 1 6 . 1 1 7 7 LEU HD12 H 1 0.93 . . . . . . . . . . . 4052 1 7 . 1 1 7 7 LEU HD13 H 1 0.93 . . . . . . . . . . . 4052 1 8 . 1 1 7 7 LEU HD21 H 1 1.01 . . . . . . . . . . . 4052 1 9 . 1 1 7 7 LEU HD22 H 1 1.01 . . . . . . . . . . . 4052 1 10 . 1 1 7 7 LEU HD23 H 1 1.01 . . . . . . . . . . . 4052 1 11 . 1 1 7 7 LEU C C 13 174.97 . . . . . . . . . . . 4052 1 12 . 1 1 7 7 LEU CA C 13 53.27 . . . . . . . . . . . 4052 1 13 . 1 1 7 7 LEU CB C 13 40.07 . . . . . . . . . . . 4052 1 14 . 1 1 7 7 LEU CD1 C 13 20.37 . . . . . . . . . . . 4052 1 15 . 1 1 7 7 LEU CD2 C 13 23.47 . . . . . . . . . . . 4052 1 16 . 1 1 8 8 HIS HA H 1 5.03 . . . . . . . . . . . 4052 1 17 . 1 1 8 8 HIS HB2 H 1 3.26 . . . . . . . . . . . 4052 1 18 . 1 1 8 8 HIS HB3 H 1 3.34 . . . . . . . . . . . 4052 1 19 . 1 1 8 8 HIS HD2 H 1 7.34 . . . . . . . . . . . 4052 1 20 . 1 1 8 8 HIS HE1 H 1 8.65 . . . . . . . . . . . 4052 1 21 . 1 1 8 8 HIS H H 1 8.86 . . . . . . . . . . . 4052 1 22 . 1 1 8 8 HIS C C 13 171.57 . . . . . . . . . . . 4052 1 23 . 1 1 8 8 HIS CA C 13 53.37 . . . . . . . . . . . 4052 1 24 . 1 1 8 8 HIS CB C 13 29.47 . . . . . . . . . . . 4052 1 25 . 1 1 8 8 HIS CG C 13 129.87 . . . . . . . . . . . 4052 1 26 . 1 1 8 8 HIS CD2 C 13 118.67 . . . . . . . . . . . 4052 1 27 . 1 1 8 8 HIS CE1 C 13 135.07 . . . . . . . . . . . 4052 1 28 . 1 1 8 8 HIS N N 15 119.61 . . . . . . . . . . . 4052 1 29 . 1 1 8 8 HIS ND1 N 15 181.31 . . . . . . . . . . . 4052 1 30 . 1 1 8 8 HIS NE2 N 15 175.81 . . . . . . . . . . . 4052 1 31 . 1 1 9 9 LYS HA H 1 4.82 . . . . . . . . . . . 4052 1 32 . 1 1 9 9 LYS HB2 H 1 1.41 . . . . . . . . . . . 4052 1 33 . 1 1 9 9 LYS HB3 H 1 1.53 . . . . . . . . . . . 4052 1 34 . 1 1 9 9 LYS HG2 H 1 0.79 . . . . . . . . . . . 4052 1 35 . 1 1 9 9 LYS HG3 H 1 1.3 . . . . . . . . . . . 4052 1 36 . 1 1 9 9 LYS HD2 H 1 0.9 . . . . . . . . . . . 4052 1 37 . 1 1 9 9 LYS HD3 H 1 1.05 . . . . . . . . . . . 4052 1 38 . 1 1 9 9 LYS HE2 H 1 1.8 . . . . . . . . . . . 4052 1 39 . 1 1 9 9 LYS HE3 H 1 1.8 . . . . . . . . . . . 4052 1 40 . 1 1 9 9 LYS H H 1 8.48 . . . . . . . . . . . 4052 1 41 . 1 1 9 9 LYS C C 13 174.57 . . . . . . . . . . . 4052 1 42 . 1 1 9 9 LYS CA C 13 54.27 . . . . . . . . . . . 4052 1 43 . 1 1 9 9 LYS CB C 13 33.17 . . . . . . . . . . . 4052 1 44 . 1 1 9 9 LYS N N 15 125.41 . . . . . . . . . . . 4052 1 45 . 1 1 10 10 GLU HA H 1 5.08 . . . . . . . . . . . 4052 1 46 . 1 1 10 10 GLU HB2 H 1 2.16 . . . . . . . . . . . 4052 1 47 . 1 1 10 10 GLU HB3 H 1 2.53 . . . . . . . . . . . 4052 1 48 . 1 1 10 10 GLU HG2 H 1 2.47 . . . . . . . . . . . 4052 1 49 . 1 1 10 10 GLU HG3 H 1 2.47 . . . . . . . . . . . 4052 1 50 . 1 1 10 10 GLU H H 1 9.33 . . . . . . . . . . . 4052 1 51 . 1 1 10 10 GLU CA C 13 51.87 . . . . . . . . . . . 4052 1 52 . 1 1 10 10 GLU CB C 13 31.67 . . . . . . . . . . . 4052 1 53 . 1 1 10 10 GLU N N 15 124.41 . . . . . . . . . . . 4052 1 54 . 1 1 11 11 PRO HA H 1 4.96 . . . . . . . . . . . 4052 1 55 . 1 1 11 11 PRO HB2 H 1 2.1 . . . . . . . . . . . 4052 1 56 . 1 1 11 11 PRO HB3 H 1 2.44 . . . . . . . . . . . 4052 1 57 . 1 1 11 11 PRO HG2 H 1 1.9 . . . . . . . . . . . 4052 1 58 . 1 1 11 11 PRO HG3 H 1 1.9 . . . . . . . . . . . 4052 1 59 . 1 1 11 11 PRO HD2 H 1 3.62 . . . . . . . . . . . 4052 1 60 . 1 1 11 11 PRO HD3 H 1 3.94 . . . . . . . . . . . 4052 1 61 . 1 1 11 11 PRO C C 13 173.67 . . . . . . . . . . . 4052 1 62 . 1 1 11 11 PRO CA C 13 61.67 . . . . . . . . . . . 4052 1 63 . 1 1 11 11 PRO CB C 13 31.67 . . . . . . . . . . . 4052 1 64 . 1 1 11 11 PRO CD C 13 49.17 . . . . . . . . . . . 4052 1 65 . 1 1 12 12 ALA HA H 1 5.02 . . . . . . . . . . . 4052 1 66 . 1 1 12 12 ALA HB1 H 1 1.34 . . . . . . . . . . . 4052 1 67 . 1 1 12 12 ALA HB2 H 1 1.34 . . . . . . . . . . . 4052 1 68 . 1 1 12 12 ALA HB3 H 1 1.34 . . . . . . . . . . . 4052 1 69 . 1 1 12 12 ALA H H 1 8.13 . . . . . . . . . . . 4052 1 70 . 1 1 12 12 ALA C C 13 173.77 . . . . . . . . . . . 4052 1 71 . 1 1 12 12 ALA CA C 13 49.97 . . . . . . . . . . . 4052 1 72 . 1 1 12 12 ALA CB C 13 23.27 . . . . . . . . . . . 4052 1 73 . 1 1 12 12 ALA N N 15 121.51 . . . . . . . . . . . 4052 1 74 . 1 1 13 13 THR HA H 1 4.73 . . . . . . . . . . . 4052 1 75 . 1 1 13 13 THR HB H 1 4.12 . . . . . . . . . . . 4052 1 76 . 1 1 13 13 THR HG21 H 1 1.3 . . . . . . . . . . . 4052 1 77 . 1 1 13 13 THR HG22 H 1 1.3 . . . . . . . . . . . 4052 1 78 . 1 1 13 13 THR HG23 H 1 1.3 . . . . . . . . . . . 4052 1 79 . 1 1 13 13 THR H H 1 8.08 . . . . . . . . . . . 4052 1 80 . 1 1 13 13 THR C C 13 172.37 . . . . . . . . . . . 4052 1 81 . 1 1 13 13 THR CA C 13 59.07 . . . . . . . . . . . 4052 1 82 . 1 1 13 13 THR CB C 13 69.97 . . . . . . . . . . . 4052 1 83 . 1 1 13 13 THR CG2 C 13 20.67 . . . . . . . . . . . 4052 1 84 . 1 1 13 13 THR N N 15 110.91 . . . . . . . . . . . 4052 1 85 . 1 1 14 14 LEU HA H 1 4.15 . . . . . . . . . . . 4052 1 86 . 1 1 14 14 LEU HB2 H 1 1.15 . . . . . . . . . . . 4052 1 87 . 1 1 14 14 LEU HB3 H 1 1.95 . . . . . . . . . . . 4052 1 88 . 1 1 14 14 LEU HG H 1 1.25 . . . . . . . . . . . 4052 1 89 . 1 1 14 14 LEU HD11 H 1 0.73 . . . . . . . . . . . 4052 1 90 . 1 1 14 14 LEU HD12 H 1 0.73 . . . . . . . . . . . 4052 1 91 . 1 1 14 14 LEU HD13 H 1 0.73 . . . . . . . . . . . 4052 1 92 . 1 1 14 14 LEU HD21 H 1 0.89 . . . . . . . . . . . 4052 1 93 . 1 1 14 14 LEU HD22 H 1 0.89 . . . . . . . . . . . 4052 1 94 . 1 1 14 14 LEU HD23 H 1 0.89 . . . . . . . . . . . 4052 1 95 . 1 1 14 14 LEU H H 1 9.15 . . . . . . . . . . . 4052 1 96 . 1 1 14 14 LEU C C 13 174.87 . . . . . . . . . . . 4052 1 97 . 1 1 14 14 LEU CA C 13 55.17 . . . . . . . . . . . 4052 1 98 . 1 1 14 14 LEU CB C 13 41.47 . . . . . . . . . . . 4052 1 99 . 1 1 14 14 LEU CG C 13 25.37 . . . . . . . . . . . 4052 1 100 . 1 1 14 14 LEU CD1 C 13 21.77 . . . . . . . . . . . 4052 1 101 . 1 1 14 14 LEU CD2 C 13 25.37 . . . . . . . . . . . 4052 1 102 . 1 1 14 14 LEU N N 15 126.91 . . . . . . . . . . . 4052 1 103 . 1 1 15 15 ILE HA H 1 4.25 . . . . . . . . . . . 4052 1 104 . 1 1 15 15 ILE HB H 1 1.37 . . . . . . . . . . . 4052 1 105 . 1 1 15 15 ILE HG12 H 1 1.36 . . . . . . . . . . . 4052 1 106 . 1 1 15 15 ILE HG13 H 1 1.36 . . . . . . . . . . . 4052 1 107 . 1 1 15 15 ILE HG21 H 1 0.92 . . . . . . . . . . . 4052 1 108 . 1 1 15 15 ILE HG22 H 1 0.92 . . . . . . . . . . . 4052 1 109 . 1 1 15 15 ILE HG23 H 1 0.92 . . . . . . . . . . . 4052 1 110 . 1 1 15 15 ILE HD11 H 1 0.83 . . . . . . . . . . . 4052 1 111 . 1 1 15 15 ILE HD12 H 1 0.83 . . . . . . . . . . . 4052 1 112 . 1 1 15 15 ILE HD13 H 1 0.83 . . . . . . . . . . . 4052 1 113 . 1 1 15 15 ILE H H 1 8.43 . . . . . . . . . . . 4052 1 114 . 1 1 15 15 ILE C C 13 174.07 . . . . . . . . . . . 4052 1 115 . 1 1 15 15 ILE CA C 13 62.57 . . . . . . . . . . . 4052 1 116 . 1 1 15 15 ILE CB C 13 37.47 . . . . . . . . . . . 4052 1 117 . 1 1 15 15 ILE CG2 C 13 15.27 . . . . . . . . . . . 4052 1 118 . 1 1 15 15 ILE CD1 C 13 12.77 . . . . . . . . . . . 4052 1 119 . 1 1 15 15 ILE N N 15 126.51 . . . . . . . . . . . 4052 1 120 . 1 1 16 16 LYS HA H 1 4.42 . . . . . . . . . . . 4052 1 121 . 1 1 16 16 LYS HB2 H 1 1.76 . . . . . . . . . . . 4052 1 122 . 1 1 16 16 LYS HB3 H 1 1.88 . . . . . . . . . . . 4052 1 123 . 1 1 16 16 LYS HG2 H 1 1.3 . . . . . . . . . . . 4052 1 124 . 1 1 16 16 LYS HG3 H 1 1.3 . . . . . . . . . . . 4052 1 125 . 1 1 16 16 LYS HD2 H 1 1.66 . . . . . . . . . . . 4052 1 126 . 1 1 16 16 LYS HD3 H 1 1.66 . . . . . . . . . . . 4052 1 127 . 1 1 16 16 LYS HE2 H 1 2.98 . . . . . . . . . . . 4052 1 128 . 1 1 16 16 LYS HE3 H 1 2.98 . . . . . . . . . . . 4052 1 129 . 1 1 16 16 LYS H H 1 8.08 . . . . . . . . . . . 4052 1 130 . 1 1 16 16 LYS C C 13 172.37 . . . . . . . . . . . 4052 1 131 . 1 1 16 16 LYS CA C 13 54.87 . . . . . . . . . . . 4052 1 132 . 1 1 16 16 LYS CB C 13 34.37 . . . . . . . . . . . 4052 1 133 . 1 1 16 16 LYS N N 15 115.81 . . . . . . . . . . . 4052 1 134 . 1 1 17 17 ALA HA H 1 4.49 . . . . . . . . . . . 4052 1 135 . 1 1 17 17 ALA HB1 H 1 1.41 . . . . . . . . . . . 4052 1 136 . 1 1 17 17 ALA HB2 H 1 1.41 . . . . . . . . . . . 4052 1 137 . 1 1 17 17 ALA HB3 H 1 1.41 . . . . . . . . . . . 4052 1 138 . 1 1 17 17 ALA H H 1 9.45 . . . . . . . . . . . 4052 1 139 . 1 1 17 17 ALA CA C 13 50.77 . . . . . . . . . . . 4052 1 140 . 1 1 17 17 ALA CB C 13 16.97 . . . . . . . . . . . 4052 1 141 . 1 1 17 17 ALA N N 15 130.91 . . . . . . . . . . . 4052 1 142 . 1 1 18 18 ILE HA H 1 4.11 . . . . . . . . . . . 4052 1 143 . 1 1 18 18 ILE HB H 1 1.64 . . . . . . . . . . . 4052 1 144 . 1 1 18 18 ILE HG12 H 1 1.08 . . . . . . . . . . . 4052 1 145 . 1 1 18 18 ILE HG13 H 1 1.45 . . . . . . . . . . . 4052 1 146 . 1 1 18 18 ILE HG21 H 1 0.84 . . . . . . . . . . . 4052 1 147 . 1 1 18 18 ILE HG22 H 1 0.84 . . . . . . . . . . . 4052 1 148 . 1 1 18 18 ILE HG23 H 1 0.84 . . . . . . . . . . . 4052 1 149 . 1 1 18 18 ILE HD11 H 1 0.78 . . . . . . . . . . . 4052 1 150 . 1 1 18 18 ILE HD12 H 1 0.78 . . . . . . . . . . . 4052 1 151 . 1 1 18 18 ILE HD13 H 1 0.78 . . . . . . . . . . . 4052 1 152 . 1 1 18 18 ILE H H 1 8.02 . . . . . . . . . . . 4052 1 153 . 1 1 18 18 ILE CA C 13 61.77 . . . . . . . . . . . 4052 1 154 . 1 1 18 18 ILE CG2 C 13 15.27 . . . . . . . . . . . 4052 1 155 . 1 1 18 18 ILE CD1 C 13 11.87 . . . . . . . . . . . 4052 1 156 . 1 1 18 18 ILE N N 15 125.11 . . . . . . . . . . . 4052 1 157 . 1 1 19 19 ASP HA H 1 4.67 . . . . . . . . . . . 4052 1 158 . 1 1 19 19 ASP HB2 H 1 2.94 . . . . . . . . . . . 4052 1 159 . 1 1 19 19 ASP HB3 H 1 3.04 . . . . . . . . . . . 4052 1 160 . 1 1 19 19 ASP H H 1 8.34 . . . . . . . . . . . 4052 1 161 . 1 1 19 19 ASP C C 13 175.07 . . . . . . . . . . . 4052 1 162 . 1 1 19 19 ASP CA C 13 52.27 . . . . . . . . . . . 4052 1 163 . 1 1 19 19 ASP CB C 13 37.67 . . . . . . . . . . . 4052 1 164 . 1 1 19 19 ASP N N 15 120.61 . . . . . . . . . . . 4052 1 165 . 1 1 20 20 GLY HA2 H 1 3.6 . . . . . . . . . . . 4052 1 166 . 1 1 20 20 GLY HA3 H 1 3.82 . . . . . . . . . . . 4052 1 167 . 1 1 20 20 GLY H H 1 8.63 . . . . . . . . . . . 4052 1 168 . 1 1 20 20 GLY C C 13 171.47 . . . . . . . . . . . 4052 1 169 . 1 1 20 20 GLY CA C 13 45.97 . . . . . . . . . . . 4052 1 170 . 1 1 20 20 GLY N N 15 105.31 . . . . . . . . . . . 4052 1 171 . 1 1 21 21 ASP HA H 1 4.96 . . . . . . . . . . . 4052 1 172 . 1 1 21 21 ASP HB2 H 1 2.51 . . . . . . . . . . . 4052 1 173 . 1 1 21 21 ASP HB3 H 1 2.51 . . . . . . . . . . . 4052 1 174 . 1 1 21 21 ASP H H 1 7.83 . . . . . . . . . . . 4052 1 175 . 1 1 21 21 ASP C C 13 172.97 . . . . . . . . . . . 4052 1 176 . 1 1 21 21 ASP CA C 13 50.07 . . . . . . . . . . . 4052 1 177 . 1 1 21 21 ASP N N 15 112.21 . . . . . . . . . . . 4052 1 178 . 1 1 22 22 THR HA H 1 5.65 . . . . . . . . . . . 4052 1 179 . 1 1 22 22 THR HB H 1 3.77 . . . . . . . . . . . 4052 1 180 . 1 1 22 22 THR HG21 H 1 1.1 . . . . . . . . . . . 4052 1 181 . 1 1 22 22 THR HG22 H 1 1.1 . . . . . . . . . . . 4052 1 182 . 1 1 22 22 THR HG23 H 1 1.1 . . . . . . . . . . . 4052 1 183 . 1 1 22 22 THR H H 1 7.58 . . . . . . . . . . . 4052 1 184 . 1 1 22 22 THR C C 13 172.47 . . . . . . . . . . . 4052 1 185 . 1 1 22 22 THR CA C 13 60.07 . . . . . . . . . . . 4052 1 186 . 1 1 22 22 THR CB C 13 68.87 . . . . . . . . . . . 4052 1 187 . 1 1 22 22 THR CG2 C 13 20.57 . . . . . . . . . . . 4052 1 188 . 1 1 22 22 THR N N 15 116.71 . . . . . . . . . . . 4052 1 189 . 1 1 23 23 VAL HA H 1 4.67 . . . . . . . . . . . 4052 1 190 . 1 1 23 23 VAL HB H 1 1.92 . . . . . . . . . . . 4052 1 191 . 1 1 23 23 VAL HG11 H 1 0.79 . . . . . . . . . . . 4052 1 192 . 1 1 23 23 VAL HG12 H 1 0.79 . . . . . . . . . . . 4052 1 193 . 1 1 23 23 VAL HG13 H 1 0.79 . . . . . . . . . . . 4052 1 194 . 1 1 23 23 VAL HG21 H 1 0.85 . . . . . . . . . . . 4052 1 195 . 1 1 23 23 VAL HG22 H 1 0.85 . . . . . . . . . . . 4052 1 196 . 1 1 23 23 VAL HG23 H 1 0.85 . . . . . . . . . . . 4052 1 197 . 1 1 23 23 VAL H H 1 9.06 . . . . . . . . . . . 4052 1 198 . 1 1 23 23 VAL C C 13 170.47 . . . . . . . . . . . 4052 1 199 . 1 1 23 23 VAL CA C 13 58.47 . . . . . . . . . . . 4052 1 200 . 1 1 23 23 VAL CB C 13 34.77 . . . . . . . . . . . 4052 1 201 . 1 1 23 23 VAL CG1 C 13 18.57 . . . . . . . . . . . 4052 1 202 . 1 1 23 23 VAL CG2 C 13 20.57 . . . . . . . . . . . 4052 1 203 . 1 1 23 23 VAL N N 15 121.11 . . . . . . . . . . . 4052 1 204 . 1 1 24 24 LYS HA H 1 5.45 . . . . . . . . . . . 4052 1 205 . 1 1 24 24 LYS HB2 H 1 1.7 . . . . . . . . . . . 4052 1 206 . 1 1 24 24 LYS HB3 H 1 2 . . . . . . . . . . . 4052 1 207 . 1 1 24 24 LYS HG2 H 1 1.4 . . . . . . . . . . . 4052 1 208 . 1 1 24 24 LYS HG3 H 1 1.4 . . . . . . . . . . . 4052 1 209 . 1 1 24 24 LYS HD2 H 1 1.69 . . . . . . . . . . . 4052 1 210 . 1 1 24 24 LYS HD3 H 1 1.69 . . . . . . . . . . . 4052 1 211 . 1 1 24 24 LYS HE2 H 1 2.84 . . . . . . . . . . . 4052 1 212 . 1 1 24 24 LYS HE3 H 1 2.84 . . . . . . . . . . . 4052 1 213 . 1 1 24 24 LYS H H 1 9.48 . . . . . . . . . . . 4052 1 214 . 1 1 24 24 LYS C C 13 173.47 . . . . . . . . . . . 4052 1 215 . 1 1 24 24 LYS CA C 13 54.27 . . . . . . . . . . . 4052 1 216 . 1 1 24 24 LYS CB C 13 33.17 . . . . . . . . . . . 4052 1 217 . 1 1 24 24 LYS N N 15 128.71 . . . . . . . . . . . 4052 1 218 . 1 1 25 25 LEU HA H 1 5.24 . . . . . . . . . . . 4052 1 219 . 1 1 25 25 LEU HB2 H 1 1.42 . . . . . . . . . . . 4052 1 220 . 1 1 25 25 LEU HB3 H 1 1.78 . . . . . . . . . . . 4052 1 221 . 1 1 25 25 LEU HG H 1 1.52 . . . . . . . . . . . 4052 1 222 . 1 1 25 25 LEU HD11 H 1 0.03 . . . . . . . . . . . 4052 1 223 . 1 1 25 25 LEU HD12 H 1 0.03 . . . . . . . . . . . 4052 1 224 . 1 1 25 25 LEU HD13 H 1 0.03 . . . . . . . . . . . 4052 1 225 . 1 1 25 25 LEU HD21 H 1 0.77 . . . . . . . . . . . 4052 1 226 . 1 1 25 25 LEU HD22 H 1 0.77 . . . . . . . . . . . 4052 1 227 . 1 1 25 25 LEU HD23 H 1 0.77 . . . . . . . . . . . 4052 1 228 . 1 1 25 25 LEU H H 1 9.42 . . . . . . . . . . . 4052 1 229 . 1 1 25 25 LEU C C 13 172.87 . . . . . . . . . . . 4052 1 230 . 1 1 25 25 LEU CA C 13 51.47 . . . . . . . . . . . 4052 1 231 . 1 1 25 25 LEU CB C 13 44.07 . . . . . . . . . . . 4052 1 232 . 1 1 25 25 LEU CD1 C 13 23.37 . . . . . . . . . . . 4052 1 233 . 1 1 25 25 LEU CD2 C 13 23.97 . . . . . . . . . . . 4052 1 234 . 1 1 25 25 LEU N N 15 128.61 . . . . . . . . . . . 4052 1 235 . 1 1 26 26 MET HA H 1 4.89 . . . . . . . . . . . 4052 1 236 . 1 1 26 26 MET HB2 H 1 1.76 . . . . . . . . . . . 4052 1 237 . 1 1 26 26 MET HB3 H 1 2.27 . . . . . . . . . . . 4052 1 238 . 1 1 26 26 MET HG2 H 1 2.18 . . . . . . . . . . . 4052 1 239 . 1 1 26 26 MET HG3 H 1 2.5 . . . . . . . . . . . 4052 1 240 . 1 1 26 26 MET HE1 H 1 1.97 . . . . . . . . . . . 4052 1 241 . 1 1 26 26 MET HE2 H 1 1.97 . . . . . . . . . . . 4052 1 242 . 1 1 26 26 MET HE3 H 1 1.97 . . . . . . . . . . . 4052 1 243 . 1 1 26 26 MET H H 1 9.54 . . . . . . . . . . . 4052 1 244 . 1 1 26 26 MET C C 13 173.47 . . . . . . . . . . . 4052 1 245 . 1 1 26 26 MET CA C 13 53.37 . . . . . . . . . . . 4052 1 246 . 1 1 26 26 MET CB C 13 30.57 . . . . . . . . . . . 4052 1 247 . 1 1 26 26 MET CE C 13 15.27 . . . . . . . . . . . 4052 1 248 . 1 1 26 26 MET N N 15 123.61 . . . . . . . . . . . 4052 1 249 . 1 1 27 27 TYR HA H 1 5.07 . . . . . . . . . . . 4052 1 250 . 1 1 27 27 TYR HB2 H 1 3.01 . . . . . . . . . . . 4052 1 251 . 1 1 27 27 TYR HB3 H 1 3.18 . . . . . . . . . . . 4052 1 252 . 1 1 27 27 TYR HD1 H 1 7.35 . . . . . . . . . . . 4052 1 253 . 1 1 27 27 TYR HD2 H 1 7.35 . . . . . . . . . . . 4052 1 254 . 1 1 27 27 TYR HE1 H 1 6.93 . . . . . . . . . . . 4052 1 255 . 1 1 27 27 TYR HE2 H 1 6.93 . . . . . . . . . . . 4052 1 256 . 1 1 27 27 TYR H H 1 9.08 . . . . . . . . . . . 4052 1 257 . 1 1 27 27 TYR C C 13 172.17 . . . . . . . . . . . 4052 1 258 . 1 1 27 27 TYR CA C 13 55.27 . . . . . . . . . . . 4052 1 259 . 1 1 27 27 TYR CB C 13 40.37 . . . . . . . . . . . 4052 1 260 . 1 1 27 27 TYR CG C 13 127.37 . . . . . . . . . . . 4052 1 261 . 1 1 27 27 TYR CD1 C 13 132.17 . . . . . . . . . . . 4052 1 262 . 1 1 27 27 TYR CD2 C 13 132.17 . . . . . . . . . . . 4052 1 263 . 1 1 27 27 TYR CE1 C 13 116.77 . . . . . . . . . . . 4052 1 264 . 1 1 27 27 TYR CE2 C 13 116.77 . . . . . . . . . . . 4052 1 265 . 1 1 27 27 TYR CZ C 13 156.87 . . . . . . . . . . . 4052 1 266 . 1 1 27 27 TYR N N 15 131.21 . . . . . . . . . . . 4052 1 267 . 1 1 28 28 LYS HA H 1 3.62 . . . . . . . . . . . 4052 1 268 . 1 1 28 28 LYS HB2 H 1 1.41 . . . . . . . . . . . 4052 1 269 . 1 1 28 28 LYS HB3 H 1 1.78 . . . . . . . . . . . 4052 1 270 . 1 1 28 28 LYS HG2 H 1 0.53 . . . . . . . . . . . 4052 1 271 . 1 1 28 28 LYS HG3 H 1 0.84 . . . . . . . . . . . 4052 1 272 . 1 1 28 28 LYS HD2 H 1 1.51 . . . . . . . . . . . 4052 1 273 . 1 1 28 28 LYS HD3 H 1 1.51 . . . . . . . . . . . 4052 1 274 . 1 1 28 28 LYS HE2 H 1 2.96 . . . . . . . . . . . 4052 1 275 . 1 1 28 28 LYS HE3 H 1 2.96 . . . . . . . . . . . 4052 1 276 . 1 1 28 28 LYS H H 1 9.28 . . . . . . . . . . . 4052 1 277 . 1 1 28 28 LYS C C 13 175.17 . . . . . . . . . . . 4052 1 278 . 1 1 28 28 LYS CA C 13 55.77 . . . . . . . . . . . 4052 1 279 . 1 1 28 28 LYS CB C 13 28.27 . . . . . . . . . . . 4052 1 280 . 1 1 28 28 LYS N N 15 128.91 . . . . . . . . . . . 4052 1 281 . 1 1 29 29 GLY HA2 H 1 3.58 . . . . . . . . . . . 4052 1 282 . 1 1 29 29 GLY HA3 H 1 4.14 . . . . . . . . . . . 4052 1 283 . 1 1 29 29 GLY H H 1 8.39 . . . . . . . . . . . 4052 1 284 . 1 1 29 29 GLY C C 13 171.97 . . . . . . . . . . . 4052 1 285 . 1 1 29 29 GLY CA C 13 43.97 . . . . . . . . . . . 4052 1 286 . 1 1 29 29 GLY N N 15 103.61 . . . . . . . . . . . 4052 1 287 . 1 1 30 30 GLN HA H 1 5.06 . . . . . . . . . . . 4052 1 288 . 1 1 30 30 GLN HB2 H 1 2.08 . . . . . . . . . . . 4052 1 289 . 1 1 30 30 GLN HB3 H 1 2.19 . . . . . . . . . . . 4052 1 290 . 1 1 30 30 GLN HG2 H 1 2.4 . . . . . . . . . . . 4052 1 291 . 1 1 30 30 GLN HG3 H 1 2.4 . . . . . . . . . . . 4052 1 292 . 1 1 30 30 GLN H H 1 7.85 . . . . . . . . . . . 4052 1 293 . 1 1 30 30 GLN CA C 13 50.77 . . . . . . . . . . . 4052 1 294 . 1 1 30 30 GLN CB C 13 29.97 . . . . . . . . . . . 4052 1 295 . 1 1 30 30 GLN N N 15 120.81 . . . . . . . . . . . 4052 1 296 . 1 1 31 31 PRO HA H 1 4.9 . . . . . . . . . . . 4052 1 297 . 1 1 31 31 PRO HB2 H 1 1.94 . . . . . . . . . . . 4052 1 298 . 1 1 31 31 PRO HB3 H 1 2.05 . . . . . . . . . . . 4052 1 299 . 1 1 31 31 PRO HG2 H 1 2.27 . . . . . . . . . . . 4052 1 300 . 1 1 31 31 PRO HG3 H 1 2.27 . . . . . . . . . . . 4052 1 301 . 1 1 31 31 PRO HD2 H 1 3.33 . . . . . . . . . . . 4052 1 302 . 1 1 31 31 PRO HD3 H 1 3.82 . . . . . . . . . . . 4052 1 303 . 1 1 31 31 PRO C C 13 175.47 . . . . . . . . . . . 4052 1 304 . 1 1 31 31 PRO CA C 13 61.07 . . . . . . . . . . . 4052 1 305 . 1 1 31 31 PRO CB C 13 30.47 . . . . . . . . . . . 4052 1 306 . 1 1 31 31 PRO CD C 13 49.27 . . . . . . . . . . . 4052 1 307 . 1 1 32 32 MET HA H 1 4.68 . . . . . . . . . . . 4052 1 308 . 1 1 32 32 MET HB2 H 1 1.98 . . . . . . . . . . . 4052 1 309 . 1 1 32 32 MET HB3 H 1 2.12 . . . . . . . . . . . 4052 1 310 . 1 1 32 32 MET HG2 H 1 2.45 . . . . . . . . . . . 4052 1 311 . 1 1 32 32 MET HG3 H 1 2.83 . . . . . . . . . . . 4052 1 312 . 1 1 32 32 MET HE1 H 1 1.89 . . . . . . . . . . . 4052 1 313 . 1 1 32 32 MET HE2 H 1 1.89 . . . . . . . . . . . 4052 1 314 . 1 1 32 32 MET HE3 H 1 1.89 . . . . . . . . . . . 4052 1 315 . 1 1 32 32 MET H H 1 9.57 . . . . . . . . . . . 4052 1 316 . 1 1 32 32 MET C C 13 172.67 . . . . . . . . . . . 4052 1 317 . 1 1 32 32 MET CA C 13 54.27 . . . . . . . . . . . 4052 1 318 . 1 1 32 32 MET CB C 13 35.77 . . . . . . . . . . . 4052 1 319 . 1 1 32 32 MET CG C 13 30.67 . . . . . . . . . . . 4052 1 320 . 1 1 32 32 MET CE C 13 15.37 . . . . . . . . . . . 4052 1 321 . 1 1 32 32 MET N N 15 127.31 . . . . . . . . . . . 4052 1 322 . 1 1 33 33 THR HA H 1 4.48 . . . . . . . . . . . 4052 1 323 . 1 1 33 33 THR HB H 1 3.99 . . . . . . . . . . . 4052 1 324 . 1 1 33 33 THR HG21 H 1 1.03 . . . . . . . . . . . 4052 1 325 . 1 1 33 33 THR HG22 H 1 1.03 . . . . . . . . . . . 4052 1 326 . 1 1 33 33 THR HG23 H 1 1.03 . . . . . . . . . . . 4052 1 327 . 1 1 33 33 THR H H 1 8.95 . . . . . . . . . . . 4052 1 328 . 1 1 33 33 THR C C 13 171.37 . . . . . . . . . . . 4052 1 329 . 1 1 33 33 THR CA C 13 62.17 . . . . . . . . . . . 4052 1 330 . 1 1 33 33 THR CB C 13 67.07 . . . . . . . . . . . 4052 1 331 . 1 1 33 33 THR N N 15 125.21 . . . . . . . . . . . 4052 1 332 . 1 1 34 34 PHE HA H 1 4.99 . . . . . . . . . . . 4052 1 333 . 1 1 34 34 PHE HB2 H 1 2.45 . . . . . . . . . . . 4052 1 334 . 1 1 34 34 PHE HB3 H 1 2.87 . . . . . . . . . . . 4052 1 335 . 1 1 34 34 PHE HD1 H 1 6.92 . . . . . . . . . . . 4052 1 336 . 1 1 34 34 PHE HD2 H 1 6.92 . . . . . . . . . . . 4052 1 337 . 1 1 34 34 PHE HE1 H 1 6.92 . . . . . . . . . . . 4052 1 338 . 1 1 34 34 PHE HE2 H 1 6.92 . . . . . . . . . . . 4052 1 339 . 1 1 34 34 PHE HZ H 1 6.64 . . . . . . . . . . . 4052 1 340 . 1 1 34 34 PHE H H 1 9.6 . . . . . . . . . . . 4052 1 341 . 1 1 34 34 PHE C C 13 172.07 . . . . . . . . . . . 4052 1 342 . 1 1 34 34 PHE CA C 13 55.77 . . . . . . . . . . . 4052 1 343 . 1 1 34 34 PHE CB C 13 40.87 . . . . . . . . . . . 4052 1 344 . 1 1 34 34 PHE CD1 C 13 129.67 . . . . . . . . . . . 4052 1 345 . 1 1 34 34 PHE CD2 C 13 129.67 . . . . . . . . . . . 4052 1 346 . 1 1 34 34 PHE CE1 C 13 129.67 . . . . . . . . . . . 4052 1 347 . 1 1 34 34 PHE CE2 C 13 129.67 . . . . . . . . . . . 4052 1 348 . 1 1 34 34 PHE CZ C 13 128.07 . . . . . . . . . . . 4052 1 349 . 1 1 34 34 PHE N N 15 127.31 . . . . . . . . . . . 4052 1 350 . 1 1 35 35 ARG HA H 1 5.25 . . . . . . . . . . . 4052 1 351 . 1 1 35 35 ARG HB2 H 1 1.85 . . . . . . . . . . . 4052 1 352 . 1 1 35 35 ARG HB3 H 1 1.85 . . . . . . . . . . . 4052 1 353 . 1 1 35 35 ARG HG2 H 1 1.41 . . . . . . . . . . . 4052 1 354 . 1 1 35 35 ARG HG3 H 1 1.49 . . . . . . . . . . . 4052 1 355 . 1 1 35 35 ARG HD2 H 1 3.31 . . . . . . . . . . . 4052 1 356 . 1 1 35 35 ARG HD3 H 1 3.31 . . . . . . . . . . . 4052 1 357 . 1 1 35 35 ARG H H 1 9.6 . . . . . . . . . . . 4052 1 358 . 1 1 35 35 ARG C C 13 172.47 . . . . . . . . . . . 4052 1 359 . 1 1 35 35 ARG CA C 13 51.07 . . . . . . . . . . . 4052 1 360 . 1 1 35 35 ARG CG C 13 25.27 . . . . . . . . . . . 4052 1 361 . 1 1 35 35 ARG N N 15 124.61 . . . . . . . . . . . 4052 1 362 . 1 1 36 36 LEU HA H 1 4.41 . . . . . . . . . . . 4052 1 363 . 1 1 36 36 LEU HB2 H 1 1.45 . . . . . . . . . . . 4052 1 364 . 1 1 36 36 LEU HB3 H 1 1.63 . . . . . . . . . . . 4052 1 365 . 1 1 36 36 LEU HG H 1 1.65 . . . . . . . . . . . 4052 1 366 . 1 1 36 36 LEU HD11 H 1 0.72 . . . . . . . . . . . 4052 1 367 . 1 1 36 36 LEU HD12 H 1 0.72 . . . . . . . . . . . 4052 1 368 . 1 1 36 36 LEU HD13 H 1 0.72 . . . . . . . . . . . 4052 1 369 . 1 1 36 36 LEU HD21 H 1 0.79 . . . . . . . . . . . 4052 1 370 . 1 1 36 36 LEU HD22 H 1 0.79 . . . . . . . . . . . 4052 1 371 . 1 1 36 36 LEU HD23 H 1 0.79 . . . . . . . . . . . 4052 1 372 . 1 1 36 36 LEU H H 1 8.26 . . . . . . . . . . . 4052 1 373 . 1 1 36 36 LEU C C 13 175.37 . . . . . . . . . . . 4052 1 374 . 1 1 36 36 LEU CA C 13 53.77 . . . . . . . . . . . 4052 1 375 . 1 1 36 36 LEU CB C 13 40.27 . . . . . . . . . . . 4052 1 376 . 1 1 36 36 LEU CG C 13 26.57 . . . . . . . . . . . 4052 1 377 . 1 1 36 36 LEU CD1 C 13 22.77 . . . . . . . . . . . 4052 1 378 . 1 1 36 36 LEU CD2 C 13 24.97 . . . . . . . . . . . 4052 1 379 . 1 1 36 36 LEU N N 15 124.31 . . . . . . . . . . . 4052 1 380 . 1 1 37 37 LEU HA H 1 3.97 . . . . . . . . . . . 4052 1 381 . 1 1 37 37 LEU HB2 H 1 0.67 . . . . . . . . . . . 4052 1 382 . 1 1 37 37 LEU HB3 H 1 0.92 . . . . . . . . . . . 4052 1 383 . 1 1 37 37 LEU HG H 1 1.29 . . . . . . . . . . . 4052 1 384 . 1 1 37 37 LEU HD11 H 1 0.57 . . . . . . . . . . . 4052 1 385 . 1 1 37 37 LEU HD12 H 1 0.57 . . . . . . . . . . . 4052 1 386 . 1 1 37 37 LEU HD13 H 1 0.57 . . . . . . . . . . . 4052 1 387 . 1 1 37 37 LEU HD21 H 1 0.92 . . . . . . . . . . . 4052 1 388 . 1 1 37 37 LEU HD22 H 1 0.92 . . . . . . . . . . . 4052 1 389 . 1 1 37 37 LEU HD23 H 1 0.92 . . . . . . . . . . . 4052 1 390 . 1 1 37 37 LEU H H 1 7.76 . . . . . . . . . . . 4052 1 391 . 1 1 37 37 LEU C C 13 175.67 . . . . . . . . . . . 4052 1 392 . 1 1 37 37 LEU CA C 13 54.57 . . . . . . . . . . . 4052 1 393 . 1 1 37 37 LEU CB C 13 42.67 . . . . . . . . . . . 4052 1 394 . 1 1 37 37 LEU CG C 13 26.17 . . . . . . . . . . . 4052 1 395 . 1 1 37 37 LEU CD1 C 13 23.87 . . . . . . . . . . . 4052 1 396 . 1 1 37 37 LEU CD2 C 13 23.97 . . . . . . . . . . . 4052 1 397 . 1 1 37 37 LEU N N 15 127.61 . . . . . . . . . . . 4052 1 398 . 1 1 38 38 LEU HA H 1 4.1 . . . . . . . . . . . 4052 1 399 . 1 1 38 38 LEU HB2 H 1 1.88 . . . . . . . . . . . 4052 1 400 . 1 1 38 38 LEU HB3 H 1 2.22 . . . . . . . . . . . 4052 1 401 . 1 1 38 38 LEU HG H 1 1.8 . . . . . . . . . . . 4052 1 402 . 1 1 38 38 LEU HD11 H 1 1.06 . . . . . . . . . . . 4052 1 403 . 1 1 38 38 LEU HD12 H 1 1.06 . . . . . . . . . . . 4052 1 404 . 1 1 38 38 LEU HD13 H 1 1.06 . . . . . . . . . . . 4052 1 405 . 1 1 38 38 LEU HD21 H 1 1.11 . . . . . . . . . . . 4052 1 406 . 1 1 38 38 LEU HD22 H 1 1.11 . . . . . . . . . . . 4052 1 407 . 1 1 38 38 LEU HD23 H 1 1.11 . . . . . . . . . . . 4052 1 408 . 1 1 38 38 LEU H H 1 8.65 . . . . . . . . . . . 4052 1 409 . 1 1 38 38 LEU C C 13 173.47 . . . . . . . . . . . 4052 1 410 . 1 1 38 38 LEU CA C 13 55.67 . . . . . . . . . . . 4052 1 411 . 1 1 38 38 LEU CB C 13 38.67 . . . . . . . . . . . 4052 1 412 . 1 1 38 38 LEU CD1 C 13 23.17 . . . . . . . . . . . 4052 1 413 . 1 1 38 38 LEU CD2 C 13 25.47 . . . . . . . . . . . 4052 1 414 . 1 1 38 38 LEU N N 15 114.71 . . . . . . . . . . . 4052 1 415 . 1 1 39 39 VAL HA H 1 5.23 . . . . . . . . . . . 4052 1 416 . 1 1 39 39 VAL HB H 1 1.88 . . . . . . . . . . . 4052 1 417 . 1 1 39 39 VAL HG11 H 1 0.82 . . . . . . . . . . . 4052 1 418 . 1 1 39 39 VAL HG12 H 1 0.82 . . . . . . . . . . . 4052 1 419 . 1 1 39 39 VAL HG13 H 1 0.82 . . . . . . . . . . . 4052 1 420 . 1 1 39 39 VAL HG21 H 1 0.9 . . . . . . . . . . . 4052 1 421 . 1 1 39 39 VAL HG22 H 1 0.9 . . . . . . . . . . . 4052 1 422 . 1 1 39 39 VAL HG23 H 1 0.9 . . . . . . . . . . . 4052 1 423 . 1 1 39 39 VAL H H 1 7.01 . . . . . . . . . . . 4052 1 424 . 1 1 39 39 VAL C C 13 172.87 . . . . . . . . . . . 4052 1 425 . 1 1 39 39 VAL CA C 13 57.47 . . . . . . . . . . . 4052 1 426 . 1 1 39 39 VAL CB C 13 34.07 . . . . . . . . . . . 4052 1 427 . 1 1 39 39 VAL CG1 C 13 18.57 . . . . . . . . . . . 4052 1 428 . 1 1 39 39 VAL CG2 C 13 20.27 . . . . . . . . . . . 4052 1 429 . 1 1 39 39 VAL N N 15 110.01 . . . . . . . . . . . 4052 1 430 . 1 1 40 40 ASP HA H 1 5.15 . . . . . . . . . . . 4052 1 431 . 1 1 40 40 ASP HB2 H 1 2.35 . . . . . . . . . . . 4052 1 432 . 1 1 40 40 ASP HB3 H 1 2.52 . . . . . . . . . . . 4052 1 433 . 1 1 40 40 ASP H H 1 8.85 . . . . . . . . . . . 4052 1 434 . 1 1 40 40 ASP C C 13 174.47 . . . . . . . . . . . 4052 1 435 . 1 1 40 40 ASP CA C 13 51.77 . . . . . . . . . . . 4052 1 436 . 1 1 40 40 ASP CB C 13 42.07 . . . . . . . . . . . 4052 1 437 . 1 1 40 40 ASP N N 15 123.71 . . . . . . . . . . . 4052 1 438 . 1 1 41 41 THR HA H 1 4.84 . . . . . . . . . . . 4052 1 439 . 1 1 41 41 THR HB H 1 4.19 . . . . . . . . . . . 4052 1 440 . 1 1 41 41 THR HG21 H 1 1.15 . . . . . . . . . . . 4052 1 441 . 1 1 41 41 THR HG22 H 1 1.15 . . . . . . . . . . . 4052 1 442 . 1 1 41 41 THR HG23 H 1 1.15 . . . . . . . . . . . 4052 1 443 . 1 1 41 41 THR H H 1 8.02 . . . . . . . . . . . 4052 1 444 . 1 1 41 41 THR CA C 13 57.07 . . . . . . . . . . . 4052 1 445 . 1 1 41 41 THR CB C 13 66.67 . . . . . . . . . . . 4052 1 446 . 1 1 41 41 THR CG2 C 13 21.27 . . . . . . . . . . . 4052 1 447 . 1 1 41 41 THR N N 15 118.51 . . . . . . . . . . . 4052 1 448 . 1 1 42 42 PRO HA H 1 4.44 . . . . . . . . . . . 4052 1 449 . 1 1 42 42 PRO HB2 H 1 1.93 . . . . . . . . . . . 4052 1 450 . 1 1 42 42 PRO HB3 H 1 2.28 . . . . . . . . . . . 4052 1 451 . 1 1 42 42 PRO HG2 H 1 2.22 . . . . . . . . . . . 4052 1 452 . 1 1 42 42 PRO HG3 H 1 2.22 . . . . . . . . . . . 4052 1 453 . 1 1 42 42 PRO HD2 H 1 3.52 . . . . . . . . . . . 4052 1 454 . 1 1 42 42 PRO HD3 H 1 3.66 . . . . . . . . . . . 4052 1 455 . 1 1 42 42 PRO C C 13 174.47 . . . . . . . . . . . 4052 1 456 . 1 1 42 42 PRO CA C 13 61.37 . . . . . . . . . . . 4052 1 457 . 1 1 42 42 PRO CB C 13 30.67 . . . . . . . . . . . 4052 1 458 . 1 1 42 42 PRO CD C 13 48.07 . . . . . . . . . . . 4052 1 459 . 1 1 43 43 GLU HB2 H 1 1.98 . . . . . . . . . . . 4052 1 460 . 1 1 43 43 GLU HB3 H 1 2.11 . . . . . . . . . . . 4052 1 461 . 1 1 43 43 GLU HG2 H 1 2.37 . . . . . . . . . . . 4052 1 462 . 1 1 43 43 GLU HG3 H 1 2.37 . . . . . . . . . . . 4052 1 463 . 1 1 43 43 GLU H H 1 8.56 . . . . . . . . . . . 4052 1 464 . 1 1 43 43 GLU C C 13 174.77 . . . . . . . . . . . 4052 1 465 . 1 1 43 43 GLU CA C 13 54.87 . . . . . . . . . . . 4052 1 466 . 1 1 43 43 GLU N N 15 123.31 . . . . . . . . . . . 4052 1 467 . 1 1 44 44 THR HA H 1 4.42 . . . . . . . . . . . 4052 1 468 . 1 1 44 44 THR HB H 1 4.3 . . . . . . . . . . . 4052 1 469 . 1 1 44 44 THR HG21 H 1 1.16 . . . . . . . . . . . 4052 1 470 . 1 1 44 44 THR HG22 H 1 1.16 . . . . . . . . . . . 4052 1 471 . 1 1 44 44 THR HG23 H 1 1.16 . . . . . . . . . . . 4052 1 472 . 1 1 44 44 THR H H 1 8.37 . . . . . . . . . . . 4052 1 473 . 1 1 44 44 THR CA C 13 60.87 . . . . . . . . . . . 4052 1 474 . 1 1 44 44 THR CB C 13 68.07 . . . . . . . . . . . 4052 1 475 . 1 1 44 44 THR CG2 C 13 20.57 . . . . . . . . . . . 4052 1 476 . 1 1 44 44 THR N N 15 115.21 . . . . . . . . . . . 4052 1 477 . 1 1 45 45 LYS HA H 1 4.28 . . . . . . . . . . . 4052 1 478 . 1 1 45 45 LYS HD2 H 1 1.67 . . . . . . . . . . . 4052 1 479 . 1 1 45 45 LYS HD3 H 1 1.67 . . . . . . . . . . . 4052 1 480 . 1 1 45 45 LYS HE2 H 1 3 . . . . . . . . . . . 4052 1 481 . 1 1 45 45 LYS HE3 H 1 3 . . . . . . . . . . . 4052 1 482 . 1 1 45 45 LYS H H 1 8.19 . . . . . . . . . . . 4052 1 483 . 1 1 45 45 LYS C C 13 174.17 . . . . . . . . . . . 4052 1 484 . 1 1 45 45 LYS CA C 13 55.27 . . . . . . . . . . . 4052 1 485 . 1 1 46 46 HIS HA H 1 4.92 . . . . . . . . . . . 4052 1 486 . 1 1 46 46 HIS HB2 H 1 3.11 . . . . . . . . . . . 4052 1 487 . 1 1 46 46 HIS HB3 H 1 3.18 . . . . . . . . . . . 4052 1 488 . 1 1 46 46 HIS HD2 H 1 7.28 . . . . . . . . . . . 4052 1 489 . 1 1 46 46 HIS HE1 H 1 8.33 . . . . . . . . . . . 4052 1 490 . 1 1 46 46 HIS H H 1 8.41 . . . . . . . . . . . 4052 1 491 . 1 1 46 46 HIS CA C 13 52.47 . . . . . . . . . . . 4052 1 492 . 1 1 46 46 HIS CB C 13 28.17 . . . . . . . . . . . 4052 1 493 . 1 1 46 46 HIS CG C 13 130.17 . . . . . . . . . . . 4052 1 494 . 1 1 46 46 HIS CD2 C 13 118.57 . . . . . . . . . . . 4052 1 495 . 1 1 46 46 HIS CE1 C 13 135.57 . . . . . . . . . . . 4052 1 496 . 1 1 46 46 HIS N N 15 120.61 . . . . . . . . . . . 4052 1 497 . 1 1 46 46 HIS NE2 N 15 173.91 . . . . . . . . . . . 4052 1 498 . 1 1 47 47 PRO HA H 1 4.36 . . . . . . . . . . . 4052 1 499 . 1 1 47 47 PRO HB2 H 1 1.95 . . . . . . . . . . . 4052 1 500 . 1 1 47 47 PRO HB3 H 1 2.29 . . . . . . . . . . . 4052 1 501 . 1 1 47 47 PRO HG2 H 1 2.1 . . . . . . . . . . . 4052 1 502 . 1 1 47 47 PRO HG3 H 1 2.1 . . . . . . . . . . . 4052 1 503 . 1 1 47 47 PRO HD2 H 1 3.52 . . . . . . . . . . . 4052 1 504 . 1 1 47 47 PRO HD3 H 1 3.76 . . . . . . . . . . . 4052 1 505 . 1 1 47 47 PRO C C 13 175.37 . . . . . . . . . . . 4052 1 506 . 1 1 47 47 PRO CA C 13 62.67 . . . . . . . . . . . 4052 1 507 . 1 1 47 47 PRO CB C 13 30.67 . . . . . . . . . . . 4052 1 508 . 1 1 47 47 PRO CD C 13 49.37 . . . . . . . . . . . 4052 1 509 . 1 1 48 48 LYS HA H 1 4.35 . . . . . . . . . . . 4052 1 510 . 1 1 48 48 LYS HB2 H 1 1.88 . . . . . . . . . . . 4052 1 511 . 1 1 48 48 LYS HB3 H 1 1.88 . . . . . . . . . . . 4052 1 512 . 1 1 48 48 LYS HG2 H 1 1.47 . . . . . . . . . . . 4052 1 513 . 1 1 48 48 LYS HG3 H 1 1.47 . . . . . . . . . . . 4052 1 514 . 1 1 48 48 LYS HD2 H 1 1.8 . . . . . . . . . . . 4052 1 515 . 1 1 48 48 LYS HD3 H 1 1.8 . . . . . . . . . . . 4052 1 516 . 1 1 48 48 LYS HE2 H 1 3.01 . . . . . . . . . . . 4052 1 517 . 1 1 48 48 LYS HE3 H 1 3.01 . . . . . . . . . . . 4052 1 518 . 1 1 48 48 LYS H H 1 8.53 . . . . . . . . . . . 4052 1 519 . 1 1 48 48 LYS C C 13 174.87 . . . . . . . . . . . 4052 1 520 . 1 1 48 48 LYS CA C 13 55.37 . . . . . . . . . . . 4052 1 521 . 1 1 48 48 LYS CB C 13 31.17 . . . . . . . . . . . 4052 1 522 . 1 1 48 48 LYS N N 15 121.61 . . . . . . . . . . . 4052 1 523 . 1 1 49 49 LYS HA H 1 4.29 . . . . . . . . . . . 4052 1 524 . 1 1 49 49 LYS HB2 H 1 1.85 . . . . . . . . . . . 4052 1 525 . 1 1 49 49 LYS HB3 H 1 1.85 . . . . . . . . . . . 4052 1 526 . 1 1 49 49 LYS HG2 H 1 1.38 . . . . . . . . . . . 4052 1 527 . 1 1 49 49 LYS HG3 H 1 1.38 . . . . . . . . . . . 4052 1 528 . 1 1 49 49 LYS HD2 H 1 1.67 . . . . . . . . . . . 4052 1 529 . 1 1 49 49 LYS HD3 H 1 1.67 . . . . . . . . . . . 4052 1 530 . 1 1 49 49 LYS HE2 H 1 3.18 . . . . . . . . . . . 4052 1 531 . 1 1 49 49 LYS HE3 H 1 3.18 . . . . . . . . . . . 4052 1 532 . 1 1 49 49 LYS H H 1 8.31 . . . . . . . . . . . 4052 1 533 . 1 1 49 49 LYS C C 13 175.17 . . . . . . . . . . . 4052 1 534 . 1 1 49 49 LYS CA C 13 55.27 . . . . . . . . . . . 4052 1 535 . 1 1 49 49 LYS CB C 13 31.17 . . . . . . . . . . . 4052 1 536 . 1 1 49 49 LYS N N 15 122.01 . . . . . . . . . . . 4052 1 537 . 1 1 50 50 GLY HA2 H 1 3.81 . . . . . . . . . . . 4052 1 538 . 1 1 50 50 GLY HA3 H 1 4.14 . . . . . . . . . . . 4052 1 539 . 1 1 50 50 GLY H H 1 8.41 . . . . . . . . . . . 4052 1 540 . 1 1 50 50 GLY C C 13 172.37 . . . . . . . . . . . 4052 1 541 . 1 1 50 50 GLY CA C 13 44.07 . . . . . . . . . . . 4052 1 542 . 1 1 50 50 GLY N N 15 111.91 . . . . . . . . . . . 4052 1 543 . 1 1 51 51 VAL HA H 1 4.2 . . . . . . . . . . . 4052 1 544 . 1 1 51 51 VAL HB H 1 2.14 . . . . . . . . . . . 4052 1 545 . 1 1 51 51 VAL HG11 H 1 0.96 . . . . . . . . . . . 4052 1 546 . 1 1 51 51 VAL HG12 H 1 0.96 . . . . . . . . . . . 4052 1 547 . 1 1 51 51 VAL HG13 H 1 0.96 . . . . . . . . . . . 4052 1 548 . 1 1 51 51 VAL HG21 H 1 0.98 . . . . . . . . . . . 4052 1 549 . 1 1 51 51 VAL HG22 H 1 0.98 . . . . . . . . . . . 4052 1 550 . 1 1 51 51 VAL HG23 H 1 0.98 . . . . . . . . . . . 4052 1 551 . 1 1 51 51 VAL H H 1 7.94 . . . . . . . . . . . 4052 1 552 . 1 1 51 51 VAL C C 13 174.47 . . . . . . . . . . . 4052 1 553 . 1 1 51 51 VAL CA C 13 60.77 . . . . . . . . . . . 4052 1 554 . 1 1 51 51 VAL CB C 13 31.07 . . . . . . . . . . . 4052 1 555 . 1 1 51 51 VAL N N 15 120.21 . . . . . . . . . . . 4052 1 556 . 1 1 52 52 GLU HA H 1 4.26 . . . . . . . . . . . 4052 1 557 . 1 1 52 52 GLU HB2 H 1 2.05 . . . . . . . . . . . 4052 1 558 . 1 1 52 52 GLU HB3 H 1 2.25 . . . . . . . . . . . 4052 1 559 . 1 1 52 52 GLU HG2 H 1 2.34 . . . . . . . . . . . 4052 1 560 . 1 1 52 52 GLU HG3 H 1 2.34 . . . . . . . . . . . 4052 1 561 . 1 1 52 52 GLU H H 1 8.51 . . . . . . . . . . . 4052 1 562 . 1 1 52 52 GLU CA C 13 55.77 . . . . . . . . . . . 4052 1 563 . 1 1 52 52 GLU N N 15 125.61 . . . . . . . . . . . 4052 1 564 . 1 1 53 53 LYS HA H 1 3.98 . . . . . . . . . . . 4052 1 565 . 1 1 53 53 LYS HB2 H 1 1.48 . . . . . . . . . . . 4052 1 566 . 1 1 53 53 LYS HB3 H 1 1.56 . . . . . . . . . . . 4052 1 567 . 1 1 53 53 LYS HG2 H 1 0.89 . . . . . . . . . . . 4052 1 568 . 1 1 53 53 LYS HG3 H 1 0.99 . . . . . . . . . . . 4052 1 569 . 1 1 53 53 LYS HD2 H 1 1.48 . . . . . . . . . . . 4052 1 570 . 1 1 53 53 LYS HD3 H 1 1.48 . . . . . . . . . . . 4052 1 571 . 1 1 53 53 LYS HE2 H 1 2.78 . . . . . . . . . . . 4052 1 572 . 1 1 53 53 LYS HE3 H 1 2.78 . . . . . . . . . . . 4052 1 573 . 1 1 53 53 LYS C C 13 175.27 . . . . . . . . . . . 4052 1 574 . 1 1 53 53 LYS CA C 13 56.67 . . . . . . . . . . . 4052 1 575 . 1 1 53 53 LYS CB C 13 30.97 . . . . . . . . . . . 4052 1 576 . 1 1 53 53 LYS CE C 13 39.87 . . . . . . . . . . . 4052 1 577 . 1 1 54 54 TYR HA H 1 4.05 . . . . . . . . . . . 4052 1 578 . 1 1 54 54 TYR HB2 H 1 3.16 . . . . . . . . . . . 4052 1 579 . 1 1 54 54 TYR HB3 H 1 3.33 . . . . . . . . . . . 4052 1 580 . 1 1 54 54 TYR HD1 H 1 6.89 . . . . . . . . . . . 4052 1 581 . 1 1 54 54 TYR HD2 H 1 6.89 . . . . . . . . . . . 4052 1 582 . 1 1 54 54 TYR HE1 H 1 6.76 . . . . . . . . . . . 4052 1 583 . 1 1 54 54 TYR HE2 H 1 6.76 . . . . . . . . . . . 4052 1 584 . 1 1 54 54 TYR H H 1 8.07 . . . . . . . . . . . 4052 1 585 . 1 1 54 54 TYR C C 13 174.47 . . . . . . . . . . . 4052 1 586 . 1 1 54 54 TYR CA C 13 60.37 . . . . . . . . . . . 4052 1 587 . 1 1 54 54 TYR CG C 13 129.87 . . . . . . . . . . . 4052 1 588 . 1 1 54 54 TYR CD1 C 13 130.87 . . . . . . . . . . . 4052 1 589 . 1 1 54 54 TYR CD2 C 13 130.87 . . . . . . . . . . . 4052 1 590 . 1 1 54 54 TYR CE1 C 13 116.97 . . . . . . . . . . . 4052 1 591 . 1 1 54 54 TYR CE2 C 13 116.97 . . . . . . . . . . . 4052 1 592 . 1 1 54 54 TYR CZ C 13 155.87 . . . . . . . . . . . 4052 1 593 . 1 1 54 54 TYR N N 15 117.31 . . . . . . . . . . . 4052 1 594 . 1 1 55 55 GLY HA2 H 1 3.87 . . . . . . . . . . . 4052 1 595 . 1 1 55 55 GLY HA3 H 1 3.97 . . . . . . . . . . . 4052 1 596 . 1 1 55 55 GLY H H 1 8.65 . . . . . . . . . . . 4052 1 597 . 1 1 55 55 GLY CA C 13 47.07 . . . . . . . . . . . 4052 1 598 . 1 1 55 55 GLY N N 15 110.71 . . . . . . . . . . . 4052 1 599 . 1 1 56 56 PRO HA H 1 4.34 . . . . . . . . . . . 4052 1 600 . 1 1 56 56 PRO HB2 H 1 1.94 . . . . . . . . . . . 4052 1 601 . 1 1 56 56 PRO HB3 H 1 2.43 . . . . . . . . . . . 4052 1 602 . 1 1 56 56 PRO HD2 H 1 3.71 . . . . . . . . . . . 4052 1 603 . 1 1 56 56 PRO HD3 H 1 3.81 . . . . . . . . . . . 4052 1 604 . 1 1 56 56 PRO CA C 13 63.67 . . . . . . . . . . . 4052 1 605 . 1 1 56 56 PRO CB C 13 30.17 . . . . . . . . . . . 4052 1 606 . 1 1 56 56 PRO CD C 13 49.77 . . . . . . . . . . . 4052 1 607 . 1 1 57 57 GLU C C 13 177.37 . . . . . . . . . . . 4052 1 608 . 1 1 57 57 GLU CA C 13 58.37 . . . . . . . . . . . 4052 1 609 . 1 1 58 58 ALA HA H 1 4.18 . . . . . . . . . . . 4052 1 610 . 1 1 58 58 ALA HB1 H 1 1.73 . . . . . . . . . . . 4052 1 611 . 1 1 58 58 ALA HB2 H 1 1.73 . . . . . . . . . . . 4052 1 612 . 1 1 58 58 ALA HB3 H 1 1.73 . . . . . . . . . . . 4052 1 613 . 1 1 58 58 ALA H H 1 8.83 . . . . . . . . . . . 4052 1 614 . 1 1 58 58 ALA C C 13 176.97 . . . . . . . . . . . 4052 1 615 . 1 1 58 58 ALA CA C 13 54.27 . . . . . . . . . . . 4052 1 616 . 1 1 58 58 ALA CB C 13 16.67 . . . . . . . . . . . 4052 1 617 . 1 1 58 58 ALA N N 15 125.91 . . . . . . . . . . . 4052 1 618 . 1 1 59 59 SER HA H 1 4.02 . . . . . . . . . . . 4052 1 619 . 1 1 59 59 SER HB2 H 1 3.71 . . . . . . . . . . . 4052 1 620 . 1 1 59 59 SER HB3 H 1 3.71 . . . . . . . . . . . 4052 1 621 . 1 1 59 59 SER H H 1 8.21 . . . . . . . . . . . 4052 1 622 . 1 1 59 59 SER CA C 13 61.17 . . . . . . . . . . . 4052 1 623 . 1 1 59 59 SER CB C 13 60.57 . . . . . . . . . . . 4052 1 624 . 1 1 59 59 SER N N 15 113.21 . . . . . . . . . . . 4052 1 625 . 1 1 60 60 ALA HA H 1 4.08 . . . . . . . . . . . 4052 1 626 . 1 1 60 60 ALA HB1 H 1 1.54 . . . . . . . . . . . 4052 1 627 . 1 1 60 60 ALA HB2 H 1 1.54 . . . . . . . . . . . 4052 1 628 . 1 1 60 60 ALA HB3 H 1 1.54 . . . . . . . . . . . 4052 1 629 . 1 1 60 60 ALA H H 1 8.18 . . . . . . . . . . . 4052 1 630 . 1 1 60 60 ALA C C 13 177.37 . . . . . . . . . . . 4052 1 631 . 1 1 60 60 ALA CA C 13 53.47 . . . . . . . . . . . 4052 1 632 . 1 1 60 60 ALA CB C 13 16.77 . . . . . . . . . . . 4052 1 633 . 1 1 60 60 ALA N N 15 124.41 . . . . . . . . . . . 4052 1 634 . 1 1 61 61 PHE HA H 1 4.06 . . . . . . . . . . . 4052 1 635 . 1 1 61 61 PHE HB2 H 1 3.17 . . . . . . . . . . . 4052 1 636 . 1 1 61 61 PHE HB3 H 1 3.34 . . . . . . . . . . . 4052 1 637 . 1 1 61 61 PHE HD1 H 1 7.14 . . . . . . . . . . . 4052 1 638 . 1 1 61 61 PHE HD2 H 1 7.14 . . . . . . . . . . . 4052 1 639 . 1 1 61 61 PHE HE1 H 1 7.23 . . . . . . . . . . . 4052 1 640 . 1 1 61 61 PHE HE2 H 1 7.23 . . . . . . . . . . . 4052 1 641 . 1 1 61 61 PHE HZ H 1 7.23 . . . . . . . . . . . 4052 1 642 . 1 1 61 61 PHE H H 1 8.26 . . . . . . . . . . . 4052 1 643 . 1 1 61 61 PHE C C 13 176.17 . . . . . . . . . . . 4052 1 644 . 1 1 61 61 PHE CA C 13 60.27 . . . . . . . . . . . 4052 1 645 . 1 1 61 61 PHE CB C 13 38.27 . . . . . . . . . . . 4052 1 646 . 1 1 61 61 PHE CG C 13 136.37 . . . . . . . . . . . 4052 1 647 . 1 1 61 61 PHE CD1 C 13 130.77 . . . . . . . . . . . 4052 1 648 . 1 1 61 61 PHE CD2 C 13 130.77 . . . . . . . . . . . 4052 1 649 . 1 1 61 61 PHE CE1 C 13 129.07 . . . . . . . . . . . 4052 1 650 . 1 1 61 61 PHE CE2 C 13 129.07 . . . . . . . . . . . 4052 1 651 . 1 1 61 61 PHE CZ C 13 128.37 . . . . . . . . . . . 4052 1 652 . 1 1 61 61 PHE N N 15 123.11 . . . . . . . . . . . 4052 1 653 . 1 1 62 62 THR HA H 1 3.58 . . . . . . . . . . . 4052 1 654 . 1 1 62 62 THR HB H 1 4.14 . . . . . . . . . . . 4052 1 655 . 1 1 62 62 THR HG21 H 1 1.03 . . . . . . . . . . . 4052 1 656 . 1 1 62 62 THR HG22 H 1 1.03 . . . . . . . . . . . 4052 1 657 . 1 1 62 62 THR HG23 H 1 1.03 . . . . . . . . . . . 4052 1 658 . 1 1 62 62 THR H H 1 8.65 . . . . . . . . . . . 4052 1 659 . 1 1 62 62 THR C C 13 173.77 . . . . . . . . . . . 4052 1 660 . 1 1 62 62 THR CA C 13 66.07 . . . . . . . . . . . 4052 1 661 . 1 1 62 62 THR CB C 13 66.67 . . . . . . . . . . . 4052 1 662 . 1 1 62 62 THR CG2 C 13 20.67 . . . . . . . . . . . 4052 1 663 . 1 1 62 62 THR N N 15 121.51 . . . . . . . . . . . 4052 1 664 . 1 1 63 63 LYS HA H 1 3.58 . . . . . . . . . . . 4052 1 665 . 1 1 63 63 LYS HB2 H 1 1.4 . . . . . . . . . . . 4052 1 666 . 1 1 63 63 LYS HB3 H 1 1.79 . . . . . . . . . . . 4052 1 667 . 1 1 63 63 LYS HG2 H 1 0.82 . . . . . . . . . . . 4052 1 668 . 1 1 63 63 LYS HG3 H 1 1.13 . . . . . . . . . . . 4052 1 669 . 1 1 63 63 LYS HD2 H 1 1.26 . . . . . . . . . . . 4052 1 670 . 1 1 63 63 LYS HD3 H 1 1.62 . . . . . . . . . . . 4052 1 671 . 1 1 63 63 LYS HE2 H 1 3.03 . . . . . . . . . . . 4052 1 672 . 1 1 63 63 LYS HE3 H 1 3.03 . . . . . . . . . . . 4052 1 673 . 1 1 63 63 LYS H H 1 7.86 . . . . . . . . . . . 4052 1 674 . 1 1 63 63 LYS C C 13 175.27 . . . . . . . . . . . 4052 1 675 . 1 1 63 63 LYS CA C 13 58.77 . . . . . . . . . . . 4052 1 676 . 1 1 63 63 LYS CB C 13 28.47 . . . . . . . . . . . 4052 1 677 . 1 1 63 63 LYS N N 15 121.31 . . . . . . . . . . . 4052 1 678 . 1 1 64 64 LYS HA H 1 3.94 . . . . . . . . . . . 4052 1 679 . 1 1 64 64 LYS HB2 H 1 1.77 . . . . . . . . . . . 4052 1 680 . 1 1 64 64 LYS HB3 H 1 1.77 . . . . . . . . . . . 4052 1 681 . 1 1 64 64 LYS HG2 H 1 1.33 . . . . . . . . . . . 4052 1 682 . 1 1 64 64 LYS HG3 H 1 1.4 . . . . . . . . . . . 4052 1 683 . 1 1 64 64 LYS HD2 H 1 1.59 . . . . . . . . . . . 4052 1 684 . 1 1 64 64 LYS HD3 H 1 1.59 . . . . . . . . . . . 4052 1 685 . 1 1 64 64 LYS HE2 H 1 2.87 . . . . . . . . . . . 4052 1 686 . 1 1 64 64 LYS HE3 H 1 2.87 . . . . . . . . . . . 4052 1 687 . 1 1 64 64 LYS H H 1 7.96 . . . . . . . . . . . 4052 1 688 . 1 1 64 64 LYS C C 13 177.07 . . . . . . . . . . . 4052 1 689 . 1 1 64 64 LYS CA C 13 57.67 . . . . . . . . . . . 4052 1 690 . 1 1 64 64 LYS CB C 13 30.47 . . . . . . . . . . . 4052 1 691 . 1 1 64 64 LYS N N 15 118.81 . . . . . . . . . . . 4052 1 692 . 1 1 65 65 MET HA H 1 3.93 . . . . . . . . . . . 4052 1 693 . 1 1 65 65 MET HB2 H 1 1.79 . . . . . . . . . . . 4052 1 694 . 1 1 65 65 MET HB3 H 1 2.12 . . . . . . . . . . . 4052 1 695 . 1 1 65 65 MET HG2 H 1 2.43 . . . . . . . . . . . 4052 1 696 . 1 1 65 65 MET HG3 H 1 2.43 . . . . . . . . . . . 4052 1 697 . 1 1 65 65 MET HE1 H 1 1.95 . . . . . . . . . . . 4052 1 698 . 1 1 65 65 MET HE2 H 1 1.95 . . . . . . . . . . . 4052 1 699 . 1 1 65 65 MET HE3 H 1 1.95 . . . . . . . . . . . 4052 1 700 . 1 1 65 65 MET H H 1 7.74 . . . . . . . . . . . 4052 1 701 . 1 1 65 65 MET C C 13 177.37 . . . . . . . . . . . 4052 1 702 . 1 1 65 65 MET CA C 13 58.07 . . . . . . . . . . . 4052 1 703 . 1 1 65 65 MET CB C 13 31.57 . . . . . . . . . . . 4052 1 704 . 1 1 65 65 MET CE C 13 16.27 . . . . . . . . . . . 4052 1 705 . 1 1 65 65 MET N N 15 117.71 . . . . . . . . . . . 4052 1 706 . 1 1 66 66 VAL HA H 1 4.16 . . . . . . . . . . . 4052 1 707 . 1 1 66 66 VAL HB H 1 2.17 . . . . . . . . . . . 4052 1 708 . 1 1 66 66 VAL HG11 H 1 0.9 . . . . . . . . . . . 4052 1 709 . 1 1 66 66 VAL HG12 H 1 0.9 . . . . . . . . . . . 4052 1 710 . 1 1 66 66 VAL HG13 H 1 0.9 . . . . . . . . . . . 4052 1 711 . 1 1 66 66 VAL HG21 H 1 1.16 . . . . . . . . . . . 4052 1 712 . 1 1 66 66 VAL HG22 H 1 1.16 . . . . . . . . . . . 4052 1 713 . 1 1 66 66 VAL HG23 H 1 1.16 . . . . . . . . . . . 4052 1 714 . 1 1 66 66 VAL H H 1 8.18 . . . . . . . . . . . 4052 1 715 . 1 1 66 66 VAL C C 13 175.77 . . . . . . . . . . . 4052 1 716 . 1 1 66 66 VAL CA C 13 62.77 . . . . . . . . . . . 4052 1 717 . 1 1 66 66 VAL CB C 13 29.97 . . . . . . . . . . . 4052 1 718 . 1 1 66 66 VAL N N 15 109.31 . . . . . . . . . . . 4052 1 719 . 1 1 67 67 GLU HA H 1 3.97 . . . . . . . . . . . 4052 1 720 . 1 1 67 67 GLU HB2 H 1 1.87 . . . . . . . . . . . 4052 1 721 . 1 1 67 67 GLU HB3 H 1 2.07 . . . . . . . . . . . 4052 1 722 . 1 1 67 67 GLU HG2 H 1 2.21 . . . . . . . . . . . 4052 1 723 . 1 1 67 67 GLU HG3 H 1 2.44 . . . . . . . . . . . 4052 1 724 . 1 1 67 67 GLU H H 1 8.73 . . . . . . . . . . . 4052 1 725 . 1 1 67 67 GLU C C 13 176.17 . . . . . . . . . . . 4052 1 726 . 1 1 67 67 GLU CA C 13 57.77 . . . . . . . . . . . 4052 1 727 . 1 1 67 67 GLU CB C 13 27.87 . . . . . . . . . . . 4052 1 728 . 1 1 67 67 GLU N N 15 122.31 . . . . . . . . . . . 4052 1 729 . 1 1 68 68 ASN HA H 1 4.71 . . . . . . . . . . . 4052 1 730 . 1 1 68 68 ASN HB2 H 1 2.7 . . . . . . . . . . . 4052 1 731 . 1 1 68 68 ASN HB3 H 1 2.81 . . . . . . . . . . . 4052 1 732 . 1 1 68 68 ASN H H 1 7.36 . . . . . . . . . . . 4052 1 733 . 1 1 68 68 ASN HD21 H 1 7.01 . . . . . . . . . . . 4052 1 734 . 1 1 68 68 ASN HD22 H 1 7.79 . . . . . . . . . . . 4052 1 735 . 1 1 68 68 ASN C C 13 172.77 . . . . . . . . . . . 4052 1 736 . 1 1 68 68 ASN CA C 13 51.77 . . . . . . . . . . . 4052 1 737 . 1 1 68 68 ASN CB C 13 37.07 . . . . . . . . . . . 4052 1 738 . 1 1 68 68 ASN N N 15 115.01 . . . . . . . . . . . 4052 1 739 . 1 1 68 68 ASN ND2 N 15 114.11 . . . . . . . . . . . 4052 1 740 . 1 1 69 69 ALA HA H 1 4.53 . . . . . . . . . . . 4052 1 741 . 1 1 69 69 ALA HB1 H 1 1.34 . . . . . . . . . . . 4052 1 742 . 1 1 69 69 ALA HB2 H 1 1.34 . . . . . . . . . . . 4052 1 743 . 1 1 69 69 ALA HB3 H 1 1.34 . . . . . . . . . . . 4052 1 744 . 1 1 69 69 ALA H H 1 6.73 . . . . . . . . . . . 4052 1 745 . 1 1 69 69 ALA C C 13 176.07 . . . . . . . . . . . 4052 1 746 . 1 1 69 69 ALA CA C 13 49.87 . . . . . . . . . . . 4052 1 747 . 1 1 69 69 ALA CB C 13 17.97 . . . . . . . . . . . 4052 1 748 . 1 1 69 69 ALA N N 15 122.81 . . . . . . . . . . . 4052 1 749 . 1 1 70 70 LYS HA H 1 4.38 . . . . . . . . . . . 4052 1 750 . 1 1 70 70 LYS HB2 H 1 1.93 . . . . . . . . . . . 4052 1 751 . 1 1 70 70 LYS HB3 H 1 2.04 . . . . . . . . . . . 4052 1 752 . 1 1 70 70 LYS HG2 H 1 1.55 . . . . . . . . . . . 4052 1 753 . 1 1 70 70 LYS HG3 H 1 1.62 . . . . . . . . . . . 4052 1 754 . 1 1 70 70 LYS HD2 H 1 1.73 . . . . . . . . . . . 4052 1 755 . 1 1 70 70 LYS HD3 H 1 1.73 . . . . . . . . . . . 4052 1 756 . 1 1 70 70 LYS HE2 H 1 3.06 . . . . . . . . . . . 4052 1 757 . 1 1 70 70 LYS HE3 H 1 3.06 . . . . . . . . . . . 4052 1 758 . 1 1 70 70 LYS H H 1 10.14 . . . . . . . . . . . 4052 1 759 . 1 1 70 70 LYS C C 13 175.97 . . . . . . . . . . . 4052 1 760 . 1 1 70 70 LYS CA C 13 56.27 . . . . . . . . . . . 4052 1 761 . 1 1 70 70 LYS CB C 13 30.67 . . . . . . . . . . . 4052 1 762 . 1 1 70 70 LYS N N 15 126.91 . . . . . . . . . . . 4052 1 763 . 1 1 71 71 LYS HA H 1 4.68 . . . . . . . . . . . 4052 1 764 . 1 1 71 71 LYS HB2 H 1 1.7 . . . . . . . . . . . 4052 1 765 . 1 1 71 71 LYS HB3 H 1 1.84 . . . . . . . . . . . 4052 1 766 . 1 1 71 71 LYS HG2 H 1 1.26 . . . . . . . . . . . 4052 1 767 . 1 1 71 71 LYS HG3 H 1 1.48 . . . . . . . . . . . 4052 1 768 . 1 1 71 71 LYS HD2 H 1 1.67 . . . . . . . . . . . 4052 1 769 . 1 1 71 71 LYS HD3 H 1 1.67 . . . . . . . . . . . 4052 1 770 . 1 1 71 71 LYS HE2 H 1 2.9 . . . . . . . . . . . 4052 1 771 . 1 1 71 71 LYS HE3 H 1 2.9 . . . . . . . . . . . 4052 1 772 . 1 1 71 71 LYS H H 1 8.87 . . . . . . . . . . . 4052 1 773 . 1 1 71 71 LYS C C 13 172.97 . . . . . . . . . . . 4052 1 774 . 1 1 71 71 LYS CA C 13 53.87 . . . . . . . . . . . 4052 1 775 . 1 1 71 71 LYS CB C 13 34.17 . . . . . . . . . . . 4052 1 776 . 1 1 71 71 LYS N N 15 122.81 . . . . . . . . . . . 4052 1 777 . 1 1 72 72 ILE HA H 1 5.27 . . . . . . . . . . . 4052 1 778 . 1 1 72 72 ILE HB H 1 1.89 . . . . . . . . . . . 4052 1 779 . 1 1 72 72 ILE HG12 H 1 1.17 . . . . . . . . . . . 4052 1 780 . 1 1 72 72 ILE HG13 H 1 1.17 . . . . . . . . . . . 4052 1 781 . 1 1 72 72 ILE HG21 H 1 0.67 . . . . . . . . . . . 4052 1 782 . 1 1 72 72 ILE HG22 H 1 0.67 . . . . . . . . . . . 4052 1 783 . 1 1 72 72 ILE HG23 H 1 0.67 . . . . . . . . . . . 4052 1 784 . 1 1 72 72 ILE HD11 H 1 0.89 . . . . . . . . . . . 4052 1 785 . 1 1 72 72 ILE HD12 H 1 0.89 . . . . . . . . . . . 4052 1 786 . 1 1 72 72 ILE HD13 H 1 0.89 . . . . . . . . . . . 4052 1 787 . 1 1 72 72 ILE H H 1 8.89 . . . . . . . . . . . 4052 1 788 . 1 1 72 72 ILE C C 13 173.67 . . . . . . . . . . . 4052 1 789 . 1 1 72 72 ILE CA C 13 57.07 . . . . . . . . . . . 4052 1 790 . 1 1 72 72 ILE CB C 13 36.97 . . . . . . . . . . . 4052 1 791 . 1 1 72 72 ILE CG2 C 13 16.07 . . . . . . . . . . . 4052 1 792 . 1 1 72 72 ILE CD1 C 13 11.27 . . . . . . . . . . . 4052 1 793 . 1 1 72 72 ILE N N 15 130.41 . . . . . . . . . . . 4052 1 794 . 1 1 73 73 GLU HA H 1 5.26 . . . . . . . . . . . 4052 1 795 . 1 1 73 73 GLU HB2 H 1 1.74 . . . . . . . . . . . 4052 1 796 . 1 1 73 73 GLU HB3 H 1 1.94 . . . . . . . . . . . 4052 1 797 . 1 1 73 73 GLU HG2 H 1 2.84 . . . . . . . . . . . 4052 1 798 . 1 1 73 73 GLU HG3 H 1 2.84 . . . . . . . . . . . 4052 1 799 . 1 1 73 73 GLU H H 1 8.81 . . . . . . . . . . . 4052 1 800 . 1 1 73 73 GLU C C 13 173.27 . . . . . . . . . . . 4052 1 801 . 1 1 73 73 GLU CA C 13 52.27 . . . . . . . . . . . 4052 1 802 . 1 1 73 73 GLU N N 15 124.71 . . . . . . . . . . . 4052 1 803 . 1 1 74 74 VAL HA H 1 4.59 . . . . . . . . . . . 4052 1 804 . 1 1 74 74 VAL HB H 1 1.32 . . . . . . . . . . . 4052 1 805 . 1 1 74 74 VAL HG11 H 1 -0.13 . . . . . . . . . . . 4052 1 806 . 1 1 74 74 VAL HG12 H 1 -0.13 . . . . . . . . . . . 4052 1 807 . 1 1 74 74 VAL HG13 H 1 -0.13 . . . . . . . . . . . 4052 1 808 . 1 1 74 74 VAL HG21 H 1 0.27 . . . . . . . . . . . 4052 1 809 . 1 1 74 74 VAL HG22 H 1 0.27 . . . . . . . . . . . 4052 1 810 . 1 1 74 74 VAL HG23 H 1 0.27 . . . . . . . . . . . 4052 1 811 . 1 1 74 74 VAL H H 1 9.56 . . . . . . . . . . . 4052 1 812 . 1 1 74 74 VAL C C 13 172.47 . . . . . . . . . . . 4052 1 813 . 1 1 74 74 VAL CA C 13 58.17 . . . . . . . . . . . 4052 1 814 . 1 1 74 74 VAL CB C 13 33.17 . . . . . . . . . . . 4052 1 815 . 1 1 74 74 VAL CG1 C 13 18.87 . . . . . . . . . . . 4052 1 816 . 1 1 74 74 VAL CG2 C 13 19.97 . . . . . . . . . . . 4052 1 817 . 1 1 74 74 VAL N N 15 119.21 . . . . . . . . . . . 4052 1 818 . 1 1 75 75 GLU HA H 1 5.15 . . . . . . . . . . . 4052 1 819 . 1 1 75 75 GLU HB2 H 1 1.89 . . . . . . . . . . . 4052 1 820 . 1 1 75 75 GLU HB3 H 1 2.9 . . . . . . . . . . . 4052 1 821 . 1 1 75 75 GLU HG2 H 1 2.21 . . . . . . . . . . . 4052 1 822 . 1 1 75 75 GLU HG3 H 1 2.21 . . . . . . . . . . . 4052 1 823 . 1 1 75 75 GLU H H 1 8.9 . . . . . . . . . . . 4052 1 824 . 1 1 75 75 GLU C C 13 173.77 . . . . . . . . . . . 4052 1 825 . 1 1 75 75 GLU CA C 13 52.97 . . . . . . . . . . . 4052 1 826 . 1 1 75 75 GLU CB C 13 34.17 . . . . . . . . . . . 4052 1 827 . 1 1 75 75 GLU N N 15 128.51 . . . . . . . . . . . 4052 1 828 . 1 1 76 76 PHE HA H 1 4.81 . . . . . . . . . . . 4052 1 829 . 1 1 76 76 PHE HB2 H 1 2.93 . . . . . . . . . . . 4052 1 830 . 1 1 76 76 PHE HB3 H 1 3.58 . . . . . . . . . . . 4052 1 831 . 1 1 76 76 PHE HD1 H 1 7.7 . . . . . . . . . . . 4052 1 832 . 1 1 76 76 PHE HD2 H 1 7.7 . . . . . . . . . . . 4052 1 833 . 1 1 76 76 PHE HE1 H 1 7.3 . . . . . . . . . . . 4052 1 834 . 1 1 76 76 PHE HE2 H 1 7.3 . . . . . . . . . . . 4052 1 835 . 1 1 76 76 PHE HZ H 1 6.82 . . . . . . . . . . . 4052 1 836 . 1 1 76 76 PHE H H 1 8.77 . . . . . . . . . . . 4052 1 837 . 1 1 76 76 PHE C C 13 173.77 . . . . . . . . . . . 4052 1 838 . 1 1 76 76 PHE CA C 13 57.87 . . . . . . . . . . . 4052 1 839 . 1 1 76 76 PHE CB C 13 38.37 . . . . . . . . . . . 4052 1 840 . 1 1 76 76 PHE CG C 13 138.57 . . . . . . . . . . . 4052 1 841 . 1 1 76 76 PHE CD1 C 13 131.17 . . . . . . . . . . . 4052 1 842 . 1 1 76 76 PHE CD2 C 13 131.17 . . . . . . . . . . . 4052 1 843 . 1 1 76 76 PHE CE1 C 13 129.67 . . . . . . . . . . . 4052 1 844 . 1 1 76 76 PHE CE2 C 13 129.67 . . . . . . . . . . . 4052 1 845 . 1 1 76 76 PHE CZ C 13 127.27 . . . . . . . . . . . 4052 1 846 . 1 1 76 76 PHE N N 15 128.21 . . . . . . . . . . . 4052 1 847 . 1 1 77 77 ASP HA H 1 5.29 . . . . . . . . . . . 4052 1 848 . 1 1 77 77 ASP HB2 H 1 2.45 . . . . . . . . . . . 4052 1 849 . 1 1 77 77 ASP HB3 H 1 3.78 . . . . . . . . . . . 4052 1 850 . 1 1 77 77 ASP H H 1 9.38 . . . . . . . . . . . 4052 1 851 . 1 1 77 77 ASP C C 13 175.57 . . . . . . . . . . . 4052 1 852 . 1 1 77 77 ASP CA C 13 50.37 . . . . . . . . . . . 4052 1 853 . 1 1 77 77 ASP CB C 13 41.57 . . . . . . . . . . . 4052 1 854 . 1 1 77 77 ASP N N 15 124.91 . . . . . . . . . . . 4052 1 855 . 1 1 78 78 LYS HA H 1 4.25 . . . . . . . . . . . 4052 1 856 . 1 1 78 78 LYS HB2 H 1 1.82 . . . . . . . . . . . 4052 1 857 . 1 1 78 78 LYS HB3 H 1 1.93 . . . . . . . . . . . 4052 1 858 . 1 1 78 78 LYS HG2 H 1 0.91 . . . . . . . . . . . 4052 1 859 . 1 1 78 78 LYS HG3 H 1 0.91 . . . . . . . . . . . 4052 1 860 . 1 1 78 78 LYS HD2 H 1 1.58 . . . . . . . . . . . 4052 1 861 . 1 1 78 78 LYS HD3 H 1 1.58 . . . . . . . . . . . 4052 1 862 . 1 1 78 78 LYS HE2 H 1 3.13 . . . . . . . . . . . 4052 1 863 . 1 1 78 78 LYS HE3 H 1 3.13 . . . . . . . . . . . 4052 1 864 . 1 1 78 78 LYS H H 1 10.44 . . . . . . . . . . . 4052 1 865 . 1 1 78 78 LYS C C 13 175.37 . . . . . . . . . . . 4052 1 866 . 1 1 78 78 LYS CA C 13 56.27 . . . . . . . . . . . 4052 1 867 . 1 1 78 78 LYS CB C 13 32.17 . . . . . . . . . . . 4052 1 868 . 1 1 78 78 LYS N N 15 120.51 . . . . . . . . . . . 4052 1 869 . 1 1 79 79 GLY HA2 H 1 3.31 . . . . . . . . . . . 4052 1 870 . 1 1 79 79 GLY HA3 H 1 4.38 . . . . . . . . . . . 4052 1 871 . 1 1 79 79 GLY H H 1 8.56 . . . . . . . . . . . 4052 1 872 . 1 1 79 79 GLY C C 13 171.77 . . . . . . . . . . . 4052 1 873 . 1 1 79 79 GLY CA C 13 43.07 . . . . . . . . . . . 4052 1 874 . 1 1 79 79 GLY N N 15 112.31 . . . . . . . . . . . 4052 1 875 . 1 1 80 80 GLN HA H 1 4.17 . . . . . . . . . . . 4052 1 876 . 1 1 80 80 GLN HB2 H 1 2.03 . . . . . . . . . . . 4052 1 877 . 1 1 80 80 GLN HB3 H 1 2.1 . . . . . . . . . . . 4052 1 878 . 1 1 80 80 GLN HG2 H 1 2.42 . . . . . . . . . . . 4052 1 879 . 1 1 80 80 GLN HG3 H 1 2.42 . . . . . . . . . . . 4052 1 880 . 1 1 80 80 GLN H H 1 8.56 . . . . . . . . . . . 4052 1 881 . 1 1 80 80 GLN C C 13 175.07 . . . . . . . . . . . 4052 1 882 . 1 1 80 80 GLN CA C 13 55.77 . . . . . . . . . . . 4052 1 883 . 1 1 80 80 GLN CB C 13 27.57 . . . . . . . . . . . 4052 1 884 . 1 1 80 80 GLN N N 15 126.31 . . . . . . . . . . . 4052 1 885 . 1 1 81 81 ARG HA H 1 4.17 . . . . . . . . . . . 4052 1 886 . 1 1 81 81 ARG HB2 H 1 1.63 . . . . . . . . . . . 4052 1 887 . 1 1 81 81 ARG HB3 H 1 1.7 . . . . . . . . . . . 4052 1 888 . 1 1 81 81 ARG HG2 H 1 1.4 . . . . . . . . . . . 4052 1 889 . 1 1 81 81 ARG HG3 H 1 1.4 . . . . . . . . . . . 4052 1 890 . 1 1 81 81 ARG HD2 H 1 3.01 . . . . . . . . . . . 4052 1 891 . 1 1 81 81 ARG HD3 H 1 3.01 . . . . . . . . . . . 4052 1 892 . 1 1 81 81 ARG H H 1 8.59 . . . . . . . . . . . 4052 1 893 . 1 1 81 81 ARG C C 13 174.47 . . . . . . . . . . . 4052 1 894 . 1 1 81 81 ARG CA C 13 56.37 . . . . . . . . . . . 4052 1 895 . 1 1 81 81 ARG CB C 13 32.37 . . . . . . . . . . . 4052 1 896 . 1 1 81 81 ARG N N 15 123.11 . . . . . . . . . . . 4052 1 897 . 1 1 82 82 THR HA H 1 5.6 . . . . . . . . . . . 4052 1 898 . 1 1 82 82 THR HB H 1 3.91 . . . . . . . . . . . 4052 1 899 . 1 1 82 82 THR HG21 H 1 0.96 . . . . . . . . . . . 4052 1 900 . 1 1 82 82 THR HG22 H 1 0.96 . . . . . . . . . . . 4052 1 901 . 1 1 82 82 THR HG23 H 1 0.96 . . . . . . . . . . . 4052 1 902 . 1 1 82 82 THR H H 1 7.36 . . . . . . . . . . . 4052 1 903 . 1 1 82 82 THR C C 13 172.97 . . . . . . . . . . . 4052 1 904 . 1 1 82 82 THR CA C 13 56.67 . . . . . . . . . . . 4052 1 905 . 1 1 82 82 THR CB C 13 71.07 . . . . . . . . . . . 4052 1 906 . 1 1 82 82 THR CG2 C 13 19.77 . . . . . . . . . . . 4052 1 907 . 1 1 82 82 THR N N 15 108.31 . . . . . . . . . . . 4052 1 908 . 1 1 83 83 ASP HA H 1 4.72 . . . . . . . . . . . 4052 1 909 . 1 1 83 83 ASP HB2 H 1 2.65 . . . . . . . . . . . 4052 1 910 . 1 1 83 83 ASP HB3 H 1 3.49 . . . . . . . . . . . 4052 1 911 . 1 1 83 83 ASP H H 1 8.7 . . . . . . . . . . . 4052 1 912 . 1 1 83 83 ASP C C 13 177.07 . . . . . . . . . . . 4052 1 913 . 1 1 83 83 ASP CA C 13 50.27 . . . . . . . . . . . 4052 1 914 . 1 1 83 83 ASP CB C 13 40.57 . . . . . . . . . . . 4052 1 915 . 1 1 83 83 ASP N N 15 122.41 . . . . . . . . . . . 4052 1 916 . 1 1 84 84 LYS HA H 1 4.05 . . . . . . . . . . . 4052 1 917 . 1 1 84 84 LYS HB2 H 1 1.47 . . . . . . . . . . . 4052 1 918 . 1 1 84 84 LYS HB3 H 1 1.64 . . . . . . . . . . . 4052 1 919 . 1 1 84 84 LYS HG2 H 1 0.56 . . . . . . . . . . . 4052 1 920 . 1 1 84 84 LYS HG3 H 1 1.03 . . . . . . . . . . . 4052 1 921 . 1 1 84 84 LYS HD2 H 1 1.41 . . . . . . . . . . . 4052 1 922 . 1 1 84 84 LYS HD3 H 1 1.41 . . . . . . . . . . . 4052 1 923 . 1 1 84 84 LYS HE2 H 1 2.78 . . . . . . . . . . . 4052 1 924 . 1 1 84 84 LYS HE3 H 1 2.78 . . . . . . . . . . . 4052 1 925 . 1 1 84 84 LYS H H 1 8.2 . . . . . . . . . . . 4052 1 926 . 1 1 84 84 LYS C C 13 174.67 . . . . . . . . . . . 4052 1 927 . 1 1 84 84 LYS CA C 13 56.57 . . . . . . . . . . . 4052 1 928 . 1 1 84 84 LYS CB C 13 29.97 . . . . . . . . . . . 4052 1 929 . 1 1 84 84 LYS N N 15 118.31 . . . . . . . . . . . 4052 1 930 . 1 1 85 85 TYR HA H 1 4.62 . . . . . . . . . . . 4052 1 931 . 1 1 85 85 TYR HB2 H 1 2.79 . . . . . . . . . . . 4052 1 932 . 1 1 85 85 TYR HB3 H 1 3.37 . . . . . . . . . . . 4052 1 933 . 1 1 85 85 TYR HD1 H 1 7.07 . . . . . . . . . . . 4052 1 934 . 1 1 85 85 TYR HD2 H 1 7.07 . . . . . . . . . . . 4052 1 935 . 1 1 85 85 TYR HE1 H 1 6.84 . . . . . . . . . . . 4052 1 936 . 1 1 85 85 TYR HE2 H 1 6.84 . . . . . . . . . . . 4052 1 937 . 1 1 85 85 TYR H H 1 7.98 . . . . . . . . . . . 4052 1 938 . 1 1 85 85 TYR C C 13 174.37 . . . . . . . . . . . 4052 1 939 . 1 1 85 85 TYR CA C 13 55.47 . . . . . . . . . . . 4052 1 940 . 1 1 85 85 TYR CB C 13 36.57 . . . . . . . . . . . 4052 1 941 . 1 1 85 85 TYR CG C 13 129.37 . . . . . . . . . . . 4052 1 942 . 1 1 85 85 TYR CD1 C 13 131.57 . . . . . . . . . . . 4052 1 943 . 1 1 85 85 TYR CD2 C 13 131.57 . . . . . . . . . . . 4052 1 944 . 1 1 85 85 TYR CE1 C 13 116.67 . . . . . . . . . . . 4052 1 945 . 1 1 85 85 TYR CE2 C 13 116.67 . . . . . . . . . . . 4052 1 946 . 1 1 85 85 TYR CZ C 13 155.67 . . . . . . . . . . . 4052 1 947 . 1 1 85 85 TYR N N 15 120.31 . . . . . . . . . . . 4052 1 948 . 1 1 86 86 GLY HA2 H 1 3.63 . . . . . . . . . . . 4052 1 949 . 1 1 86 86 GLY HA3 H 1 4.23 . . . . . . . . . . . 4052 1 950 . 1 1 86 86 GLY H H 1 8.14 . . . . . . . . . . . 4052 1 951 . 1 1 86 86 GLY C C 13 172.27 . . . . . . . . . . . 4052 1 952 . 1 1 86 86 GLY CA C 13 43.87 . . . . . . . . . . . 4052 1 953 . 1 1 86 86 GLY N N 15 109.81 . . . . . . . . . . . 4052 1 954 . 1 1 87 87 ARG HA H 1 4.47 . . . . . . . . . . . 4052 1 955 . 1 1 87 87 ARG HB2 H 1 1.68 . . . . . . . . . . . 4052 1 956 . 1 1 87 87 ARG HB3 H 1 2.03 . . . . . . . . . . . 4052 1 957 . 1 1 87 87 ARG HG2 H 1 1.37 . . . . . . . . . . . 4052 1 958 . 1 1 87 87 ARG HG3 H 1 1.37 . . . . . . . . . . . 4052 1 959 . 1 1 87 87 ARG H H 1 8.52 . . . . . . . . . . . 4052 1 960 . 1 1 87 87 ARG C C 13 175.27 . . . . . . . . . . . 4052 1 961 . 1 1 87 87 ARG CA C 13 53.67 . . . . . . . . . . . 4052 1 962 . 1 1 87 87 ARG CG C 13 26.87 . . . . . . . . . . . 4052 1 963 . 1 1 87 87 ARG N N 15 122.81 . . . . . . . . . . . 4052 1 964 . 1 1 88 88 GLY HA2 H 1 2.73 . . . . . . . . . . . 4052 1 965 . 1 1 88 88 GLY HA3 H 1 4.48 . . . . . . . . . . . 4052 1 966 . 1 1 88 88 GLY H H 1 8.83 . . . . . . . . . . . 4052 1 967 . 1 1 88 88 GLY C C 13 170.17 . . . . . . . . . . . 4052 1 968 . 1 1 88 88 GLY CA C 13 43.37 . . . . . . . . . . . 4052 1 969 . 1 1 88 88 GLY N N 15 109.91 . . . . . . . . . . . 4052 1 970 . 1 1 89 89 LEU HA H 1 5.13 . . . . . . . . . . . 4052 1 971 . 1 1 89 89 LEU HB2 H 1 1.16 . . . . . . . . . . . 4052 1 972 . 1 1 89 89 LEU HB3 H 1 1.77 . . . . . . . . . . . 4052 1 973 . 1 1 89 89 LEU HG H 1 1.51 . . . . . . . . . . . 4052 1 974 . 1 1 89 89 LEU HD11 H 1 0.7 . . . . . . . . . . . 4052 1 975 . 1 1 89 89 LEU HD12 H 1 0.7 . . . . . . . . . . . 4052 1 976 . 1 1 89 89 LEU HD13 H 1 0.7 . . . . . . . . . . . 4052 1 977 . 1 1 89 89 LEU HD21 H 1 0.7 . . . . . . . . . . . 4052 1 978 . 1 1 89 89 LEU HD22 H 1 0.7 . . . . . . . . . . . 4052 1 979 . 1 1 89 89 LEU HD23 H 1 0.7 . . . . . . . . . . . 4052 1 980 . 1 1 89 89 LEU H H 1 8.34 . . . . . . . . . . . 4052 1 981 . 1 1 89 89 LEU C C 13 173.27 . . . . . . . . . . . 4052 1 982 . 1 1 89 89 LEU CA C 13 51.57 . . . . . . . . . . . 4052 1 983 . 1 1 89 89 LEU CB C 13 41.17 . . . . . . . . . . . 4052 1 984 . 1 1 89 89 LEU CD1 C 13 19.67 . . . . . . . . . . . 4052 1 985 . 1 1 89 89 LEU CD2 C 13 23.87 . . . . . . . . . . . 4052 1 986 . 1 1 89 89 LEU N N 15 127.11 . . . . . . . . . . . 4052 1 987 . 1 1 90 90 ALA HA H 1 4.85 . . . . . . . . . . . 4052 1 988 . 1 1 90 90 ALA HB1 H 1 0.81 . . . . . . . . . . . 4052 1 989 . 1 1 90 90 ALA HB2 H 1 0.81 . . . . . . . . . . . 4052 1 990 . 1 1 90 90 ALA HB3 H 1 0.81 . . . . . . . . . . . 4052 1 991 . 1 1 90 90 ALA H H 1 7.65 . . . . . . . . . . . 4052 1 992 . 1 1 90 90 ALA C C 13 175.37 . . . . . . . . . . . 4052 1 993 . 1 1 90 90 ALA CA C 13 49.17 . . . . . . . . . . . 4052 1 994 . 1 1 90 90 ALA CB C 13 22.57 . . . . . . . . . . . 4052 1 995 . 1 1 90 90 ALA N N 15 121.91 . . . . . . . . . . . 4052 1 996 . 1 1 91 91 TYR HA H 1 4.65 . . . . . . . . . . . 4052 1 997 . 1 1 91 91 TYR HB2 H 1 2.9 . . . . . . . . . . . 4052 1 998 . 1 1 91 91 TYR HB3 H 1 3.43 . . . . . . . . . . . 4052 1 999 . 1 1 91 91 TYR HD1 H 1 7.3 . . . . . . . . . . . 4052 1 1000 . 1 1 91 91 TYR HD2 H 1 7.3 . . . . . . . . . . . 4052 1 1001 . 1 1 91 91 TYR HE1 H 1 6.58 . . . . . . . . . . . 4052 1 1002 . 1 1 91 91 TYR HE2 H 1 6.58 . . . . . . . . . . . 4052 1 1003 . 1 1 91 91 TYR H H 1 9.02 . . . . . . . . . . . 4052 1 1004 . 1 1 91 91 TYR C C 13 172.77 . . . . . . . . . . . 4052 1 1005 . 1 1 91 91 TYR CA C 13 56.27 . . . . . . . . . . . 4052 1 1006 . 1 1 91 91 TYR CE1 C 13 117.17 . . . . . . . . . . . 4052 1 1007 . 1 1 91 91 TYR CE2 C 13 117.17 . . . . . . . . . . . 4052 1 1008 . 1 1 91 91 TYR N N 15 123.91 . . . . . . . . . . . 4052 1 1009 . 1 1 92 92 ILE HA H 1 4.95 . . . . . . . . . . . 4052 1 1010 . 1 1 92 92 ILE HB H 1 1.49 . . . . . . . . . . . 4052 1 1011 . 1 1 92 92 ILE HG12 H 1 0.97 . . . . . . . . . . . 4052 1 1012 . 1 1 92 92 ILE HG13 H 1 1.08 . . . . . . . . . . . 4052 1 1013 . 1 1 92 92 ILE HG21 H 1 0.66 . . . . . . . . . . . 4052 1 1014 . 1 1 92 92 ILE HG22 H 1 0.66 . . . . . . . . . . . 4052 1 1015 . 1 1 92 92 ILE HG23 H 1 0.66 . . . . . . . . . . . 4052 1 1016 . 1 1 92 92 ILE HD11 H 1 0.34 . . . . . . . . . . . 4052 1 1017 . 1 1 92 92 ILE HD12 H 1 0.34 . . . . . . . . . . . 4052 1 1018 . 1 1 92 92 ILE HD13 H 1 0.34 . . . . . . . . . . . 4052 1 1019 . 1 1 92 92 ILE H H 1 7.93 . . . . . . . . . . . 4052 1 1020 . 1 1 92 92 ILE C C 13 172.07 . . . . . . . . . . . 4052 1 1021 . 1 1 92 92 ILE CA C 13 57.07 . . . . . . . . . . . 4052 1 1022 . 1 1 92 92 ILE CB C 13 37.67 . . . . . . . . . . . 4052 1 1023 . 1 1 92 92 ILE CG2 C 13 15.07 . . . . . . . . . . . 4052 1 1024 . 1 1 92 92 ILE CD1 C 13 10.67 . . . . . . . . . . . 4052 1 1025 . 1 1 92 92 ILE N N 15 124.11 . . . . . . . . . . . 4052 1 1026 . 1 1 93 93 TYR HA H 1 5.1 . . . . . . . . . . . 4052 1 1027 . 1 1 93 93 TYR HB2 H 1 2.37 . . . . . . . . . . . 4052 1 1028 . 1 1 93 93 TYR HB3 H 1 2.84 . . . . . . . . . . . 4052 1 1029 . 1 1 93 93 TYR HD1 H 1 6.65 . . . . . . . . . . . 4052 1 1030 . 1 1 93 93 TYR HD2 H 1 6.65 . . . . . . . . . . . 4052 1 1031 . 1 1 93 93 TYR HE1 H 1 6.74 . . . . . . . . . . . 4052 1 1032 . 1 1 93 93 TYR HE2 H 1 6.74 . . . . . . . . . . . 4052 1 1033 . 1 1 93 93 TYR H H 1 9.55 . . . . . . . . . . . 4052 1 1034 . 1 1 93 93 TYR C C 13 172.27 . . . . . . . . . . . 4052 1 1035 . 1 1 93 93 TYR CA C 13 54.77 . . . . . . . . . . . 4052 1 1036 . 1 1 93 93 TYR CB C 13 39.87 . . . . . . . . . . . 4052 1 1037 . 1 1 93 93 TYR CD1 C 13 130.87 . . . . . . . . . . . 4052 1 1038 . 1 1 93 93 TYR CD2 C 13 130.87 . . . . . . . . . . . 4052 1 1039 . 1 1 93 93 TYR CE1 C 13 116.37 . . . . . . . . . . . 4052 1 1040 . 1 1 93 93 TYR CE2 C 13 116.37 . . . . . . . . . . . 4052 1 1041 . 1 1 93 93 TYR CZ C 13 156.57 . . . . . . . . . . . 4052 1 1042 . 1 1 93 93 TYR N N 15 127.81 . . . . . . . . . . . 4052 1 1043 . 1 1 94 94 ALA HA H 1 4.99 . . . . . . . . . . . 4052 1 1044 . 1 1 94 94 ALA HB1 H 1 1.14 . . . . . . . . . . . 4052 1 1045 . 1 1 94 94 ALA HB2 H 1 1.14 . . . . . . . . . . . 4052 1 1046 . 1 1 94 94 ALA HB3 H 1 1.14 . . . . . . . . . . . 4052 1 1047 . 1 1 94 94 ALA H H 1 9.29 . . . . . . . . . . . 4052 1 1048 . 1 1 94 94 ALA C C 13 173.97 . . . . . . . . . . . 4052 1 1049 . 1 1 94 94 ALA CA C 13 48.27 . . . . . . . . . . . 4052 1 1050 . 1 1 94 94 ALA CB C 13 19.37 . . . . . . . . . . . 4052 1 1051 . 1 1 94 94 ALA N N 15 127.41 . . . . . . . . . . . 4052 1 1052 . 1 1 95 95 ASP HA H 1 4.44 . . . . . . . . . . . 4052 1 1053 . 1 1 95 95 ASP HB2 H 1 2.75 . . . . . . . . . . . 4052 1 1054 . 1 1 95 95 ASP HB3 H 1 2.97 . . . . . . . . . . . 4052 1 1055 . 1 1 95 95 ASP H H 1 9.72 . . . . . . . . . . . 4052 1 1056 . 1 1 95 95 ASP C C 13 174.37 . . . . . . . . . . . 4052 1 1057 . 1 1 95 95 ASP CA C 13 54.97 . . . . . . . . . . . 4052 1 1058 . 1 1 95 95 ASP CB C 13 38.17 . . . . . . . . . . . 4052 1 1059 . 1 1 95 95 ASP N N 15 128.81 . . . . . . . . . . . 4052 1 1060 . 1 1 96 96 GLY HA2 H 1 3.66 . . . . . . . . . . . 4052 1 1061 . 1 1 96 96 GLY HA3 H 1 4.23 . . . . . . . . . . . 4052 1 1062 . 1 1 96 96 GLY H H 1 9.34 . . . . . . . . . . . 4052 1 1063 . 1 1 96 96 GLY C C 13 172.17 . . . . . . . . . . . 4052 1 1064 . 1 1 96 96 GLY CA C 13 43.67 . . . . . . . . . . . 4052 1 1065 . 1 1 96 96 GLY N N 15 104.51 . . . . . . . . . . . 4052 1 1066 . 1 1 97 97 LYS HA H 1 4.67 . . . . . . . . . . . 4052 1 1067 . 1 1 97 97 LYS HB2 H 1 1.75 . . . . . . . . . . . 4052 1 1068 . 1 1 97 97 LYS HB3 H 1 1.86 . . . . . . . . . . . 4052 1 1069 . 1 1 97 97 LYS HG2 H 1 1.45 . . . . . . . . . . . 4052 1 1070 . 1 1 97 97 LYS HG3 H 1 1.45 . . . . . . . . . . . 4052 1 1071 . 1 1 97 97 LYS HD2 H 1 1.75 . . . . . . . . . . . 4052 1 1072 . 1 1 97 97 LYS HD3 H 1 1.75 . . . . . . . . . . . 4052 1 1073 . 1 1 97 97 LYS HE2 H 1 3.05 . . . . . . . . . . . 4052 1 1074 . 1 1 97 97 LYS HE3 H 1 3.05 . . . . . . . . . . . 4052 1 1075 . 1 1 97 97 LYS H H 1 7.89 . . . . . . . . . . . 4052 1 1076 . 1 1 97 97 LYS C C 13 174.27 . . . . . . . . . . . 4052 1 1077 . 1 1 97 97 LYS CA C 13 52.77 . . . . . . . . . . . 4052 1 1078 . 1 1 97 97 LYS CB C 13 31.67 . . . . . . . . . . . 4052 1 1079 . 1 1 97 97 LYS N N 15 123.01 . . . . . . . . . . . 4052 1 1080 . 1 1 98 98 MET HA H 1 3.85 . . . . . . . . . . . 4052 1 1081 . 1 1 98 98 MET HB2 H 1 1.99 . . . . . . . . . . . 4052 1 1082 . 1 1 98 98 MET HB3 H 1 2.06 . . . . . . . . . . . 4052 1 1083 . 1 1 98 98 MET HG2 H 1 2.27 . . . . . . . . . . . 4052 1 1084 . 1 1 98 98 MET HG3 H 1 2.27 . . . . . . . . . . . 4052 1 1085 . 1 1 98 98 MET HE1 H 1 1.4 . . . . . . . . . . . 4052 1 1086 . 1 1 98 98 MET HE2 H 1 1.4 . . . . . . . . . . . 4052 1 1087 . 1 1 98 98 MET HE3 H 1 1.4 . . . . . . . . . . . 4052 1 1088 . 1 1 98 98 MET H H 1 9.25 . . . . . . . . . . . 4052 1 1089 . 1 1 98 98 MET C C 13 175.77 . . . . . . . . . . . 4052 1 1090 . 1 1 98 98 MET CA C 13 54.47 . . . . . . . . . . . 4052 1 1091 . 1 1 98 98 MET CB C 13 33.17 . . . . . . . . . . . 4052 1 1092 . 1 1 98 98 MET CE C 13 12.87 . . . . . . . . . . . 4052 1 1093 . 1 1 98 98 MET N N 15 128.31 . . . . . . . . . . . 4052 1 1094 . 1 1 99 99 VAL HA H 1 3.74 . . . . . . . . . . . 4052 1 1095 . 1 1 99 99 VAL HB H 1 1.86 . . . . . . . . . . . 4052 1 1096 . 1 1 99 99 VAL HG11 H 1 0.98 . . . . . . . . . . . 4052 1 1097 . 1 1 99 99 VAL HG12 H 1 0.98 . . . . . . . . . . . 4052 1 1098 . 1 1 99 99 VAL HG13 H 1 0.98 . . . . . . . . . . . 4052 1 1099 . 1 1 99 99 VAL HG21 H 1 1.07 . . . . . . . . . . . 4052 1 1100 . 1 1 99 99 VAL HG22 H 1 1.07 . . . . . . . . . . . 4052 1 1101 . 1 1 99 99 VAL HG23 H 1 1.07 . . . . . . . . . . . 4052 1 1102 . 1 1 99 99 VAL H H 1 10.15 . . . . . . . . . . . 4052 1 1103 . 1 1 99 99 VAL C C 13 175.47 . . . . . . . . . . . 4052 1 1104 . 1 1 99 99 VAL CA C 13 64.47 . . . . . . . . . . . 4052 1 1105 . 1 1 99 99 VAL CB C 13 30.57 . . . . . . . . . . . 4052 1 1106 . 1 1 99 99 VAL CG1 C 13 19.27 . . . . . . . . . . . 4052 1 1107 . 1 1 99 99 VAL CG2 C 13 20.97 . . . . . . . . . . . 4052 1 1108 . 1 1 99 99 VAL N N 15 137.31 . . . . . . . . . . . 4052 1 1109 . 1 1 100 100 ASN HA H 1 4.06 . . . . . . . . . . . 4052 1 1110 . 1 1 100 100 ASN HB2 H 1 2.74 . . . . . . . . . . . 4052 1 1111 . 1 1 100 100 ASN HB3 H 1 2.9 . . . . . . . . . . . 4052 1 1112 . 1 1 100 100 ASN H H 1 9.68 . . . . . . . . . . . 4052 1 1113 . 1 1 100 100 ASN HD21 H 1 9.52 . . . . . . . . . . . 4052 1 1114 . 1 1 100 100 ASN HD22 H 1 6.57 . . . . . . . . . . . 4052 1 1115 . 1 1 100 100 ASN C C 13 172.47 . . . . . . . . . . . 4052 1 1116 . 1 1 100 100 ASN CA C 13 55.57 . . . . . . . . . . . 4052 1 1117 . 1 1 100 100 ASN CB C 13 33.57 . . . . . . . . . . . 4052 1 1118 . 1 1 100 100 ASN N N 15 109.91 . . . . . . . . . . . 4052 1 1119 . 1 1 100 100 ASN ND2 N 15 121.81 . . . . . . . . . . . 4052 1 1120 . 1 1 101 101 GLU HA H 1 3.7 . . . . . . . . . . . 4052 1 1121 . 1 1 101 101 GLU HB2 H 1 1.94 . . . . . . . . . . . 4052 1 1122 . 1 1 101 101 GLU HB3 H 1 2.26 . . . . . . . . . . . 4052 1 1123 . 1 1 101 101 GLU HG2 H 1 2.1 . . . . . . . . . . . 4052 1 1124 . 1 1 101 101 GLU HG3 H 1 2.1 . . . . . . . . . . . 4052 1 1125 . 1 1 101 101 GLU H H 1 6.17 . . . . . . . . . . . 4052 1 1126 . 1 1 101 101 GLU C C 13 174.47 . . . . . . . . . . . 4052 1 1127 . 1 1 101 101 GLU CA C 13 57.97 . . . . . . . . . . . 4052 1 1128 . 1 1 101 101 GLU CB C 13 28.47 . . . . . . . . . . . 4052 1 1129 . 1 1 101 101 GLU CG C 13 33.97 . . . . . . . . . . . 4052 1 1130 . 1 1 101 101 GLU N N 15 114.11 . . . . . . . . . . . 4052 1 1131 . 1 1 102 102 ALA HA H 1 4.08 . . . . . . . . . . . 4052 1 1132 . 1 1 102 102 ALA HB1 H 1 1.7 . . . . . . . . . . . 4052 1 1133 . 1 1 102 102 ALA HB2 H 1 1.7 . . . . . . . . . . . 4052 1 1134 . 1 1 102 102 ALA HB3 H 1 1.7 . . . . . . . . . . . 4052 1 1135 . 1 1 102 102 ALA H H 1 7.87 . . . . . . . . . . . 4052 1 1136 . 1 1 102 102 ALA C C 13 177.87 . . . . . . . . . . . 4052 1 1137 . 1 1 102 102 ALA CA C 13 53.77 . . . . . . . . . . . 4052 1 1138 . 1 1 102 102 ALA CB C 13 16.77 . . . . . . . . . . . 4052 1 1139 . 1 1 102 102 ALA N N 15 124.21 . . . . . . . . . . . 4052 1 1140 . 1 1 103 103 LEU HA H 1 3.34 . . . . . . . . . . . 4052 1 1141 . 1 1 103 103 LEU HB2 H 1 1.1 . . . . . . . . . . . 4052 1 1142 . 1 1 103 103 LEU HB3 H 1 1.7 . . . . . . . . . . . 4052 1 1143 . 1 1 103 103 LEU HG H 1 1.59 . . . . . . . . . . . 4052 1 1144 . 1 1 103 103 LEU HD11 H 1 0.81 . . . . . . . . . . . 4052 1 1145 . 1 1 103 103 LEU HD12 H 1 0.81 . . . . . . . . . . . 4052 1 1146 . 1 1 103 103 LEU HD13 H 1 0.81 . . . . . . . . . . . 4052 1 1147 . 1 1 103 103 LEU HD21 H 1 0.89 . . . . . . . . . . . 4052 1 1148 . 1 1 103 103 LEU HD22 H 1 0.89 . . . . . . . . . . . 4052 1 1149 . 1 1 103 103 LEU HD23 H 1 0.89 . . . . . . . . . . . 4052 1 1150 . 1 1 103 103 LEU H H 1 8.05 . . . . . . . . . . . 4052 1 1151 . 1 1 103 103 LEU C C 13 177.07 . . . . . . . . . . . 4052 1 1152 . 1 1 103 103 LEU CA C 13 56.47 . . . . . . . . . . . 4052 1 1153 . 1 1 103 103 LEU CB C 13 43.57 . . . . . . . . . . . 4052 1 1154 . 1 1 103 103 LEU CD1 C 13 22.67 . . . . . . . . . . . 4052 1 1155 . 1 1 103 103 LEU CD2 C 13 25.17 . . . . . . . . . . . 4052 1 1156 . 1 1 103 103 LEU N N 15 117.51 . . . . . . . . . . . 4052 1 1157 . 1 1 104 104 VAL HA H 1 3.92 . . . . . . . . . . . 4052 1 1158 . 1 1 104 104 VAL HB H 1 2.1 . . . . . . . . . . . 4052 1 1159 . 1 1 104 104 VAL HG11 H 1 1.01 . . . . . . . . . . . 4052 1 1160 . 1 1 104 104 VAL HG12 H 1 1.01 . . . . . . . . . . . 4052 1 1161 . 1 1 104 104 VAL HG13 H 1 1.01 . . . . . . . . . . . 4052 1 1162 . 1 1 104 104 VAL HG21 H 1 1.04 . . . . . . . . . . . 4052 1 1163 . 1 1 104 104 VAL HG22 H 1 1.04 . . . . . . . . . . . 4052 1 1164 . 1 1 104 104 VAL HG23 H 1 1.04 . . . . . . . . . . . 4052 1 1165 . 1 1 104 104 VAL H H 1 6.84 . . . . . . . . . . . 4052 1 1166 . 1 1 104 104 VAL C C 13 178.57 . . . . . . . . . . . 4052 1 1167 . 1 1 104 104 VAL CA C 13 63.47 . . . . . . . . . . . 4052 1 1168 . 1 1 104 104 VAL CB C 13 30.77 . . . . . . . . . . . 4052 1 1169 . 1 1 104 104 VAL CG1 C 13 20.17 . . . . . . . . . . . 4052 1 1170 . 1 1 104 104 VAL CG2 C 13 22.47 . . . . . . . . . . . 4052 1 1171 . 1 1 104 104 VAL N N 15 117.91 . . . . . . . . . . . 4052 1 1172 . 1 1 105 105 ARG HA H 1 4.13 . . . . . . . . . . . 4052 1 1173 . 1 1 105 105 ARG HB2 H 1 2.01 . . . . . . . . . . . 4052 1 1174 . 1 1 105 105 ARG HB3 H 1 2.01 . . . . . . . . . . . 4052 1 1175 . 1 1 105 105 ARG H H 1 9.14 . . . . . . . . . . . 4052 1 1176 . 1 1 105 105 ARG C C 13 174.37 . . . . . . . . . . . 4052 1 1177 . 1 1 105 105 ARG CA C 13 55.47 . . . . . . . . . . . 4052 1 1178 . 1 1 105 105 ARG CB C 13 30.17 . . . . . . . . . . . 4052 1 1179 . 1 1 105 105 ARG N N 15 124.51 . . . . . . . . . . . 4052 1 1180 . 1 1 106 106 GLN HA H 1 4.34 . . . . . . . . . . . 4052 1 1181 . 1 1 106 106 GLN HB2 H 1 1.47 . . . . . . . . . . . 4052 1 1182 . 1 1 106 106 GLN HB3 H 1 2 . . . . . . . . . . . 4052 1 1183 . 1 1 106 106 GLN HG2 H 1 2.28 . . . . . . . . . . . 4052 1 1184 . 1 1 106 106 GLN HG3 H 1 2.38 . . . . . . . . . . . 4052 1 1185 . 1 1 106 106 GLN H H 1 7.2 . . . . . . . . . . . 4052 1 1186 . 1 1 106 106 GLN C C 13 173.97 . . . . . . . . . . . 4052 1 1187 . 1 1 106 106 GLN CA C 13 52.47 . . . . . . . . . . . 4052 1 1188 . 1 1 106 106 GLN CB C 13 26.87 . . . . . . . . . . . 4052 1 1189 . 1 1 106 106 GLN N N 15 113.71 . . . . . . . . . . . 4052 1 1190 . 1 1 107 107 GLY HA2 H 1 4.01 . . . . . . . . . . . 4052 1 1191 . 1 1 107 107 GLY HA3 H 1 4.28 . . . . . . . . . . . 4052 1 1192 . 1 1 107 107 GLY H H 1 8.1 . . . . . . . . . . . 4052 1 1193 . 1 1 107 107 GLY C C 13 170.77 . . . . . . . . . . . 4052 1 1194 . 1 1 107 107 GLY CA C 13 44.87 . . . . . . . . . . . 4052 1 1195 . 1 1 107 107 GLY N N 15 108.41 . . . . . . . . . . . 4052 1 1196 . 1 1 108 108 LEU HA H 1 4.36 . . . . . . . . . . . 4052 1 1197 . 1 1 108 108 LEU HB2 H 1 1.26 . . . . . . . . . . . 4052 1 1198 . 1 1 108 108 LEU HB3 H 1 1.47 . . . . . . . . . . . 4052 1 1199 . 1 1 108 108 LEU HG H 1 1.23 . . . . . . . . . . . 4052 1 1200 . 1 1 108 108 LEU HD11 H 1 0.48 . . . . . . . . . . . 4052 1 1201 . 1 1 108 108 LEU HD12 H 1 0.48 . . . . . . . . . . . 4052 1 1202 . 1 1 108 108 LEU HD13 H 1 0.48 . . . . . . . . . . . 4052 1 1203 . 1 1 108 108 LEU HD21 H 1 0.78 . . . . . . . . . . . 4052 1 1204 . 1 1 108 108 LEU HD22 H 1 0.78 . . . . . . . . . . . 4052 1 1205 . 1 1 108 108 LEU HD23 H 1 0.78 . . . . . . . . . . . 4052 1 1206 . 1 1 108 108 LEU H H 1 7.79 . . . . . . . . . . . 4052 1 1207 . 1 1 108 108 LEU C C 13 171.17 . . . . . . . . . . . 4052 1 1208 . 1 1 108 108 LEU CA C 13 51.87 . . . . . . . . . . . 4052 1 1209 . 1 1 108 108 LEU CB C 13 41.97 . . . . . . . . . . . 4052 1 1210 . 1 1 108 108 LEU CD1 C 13 21.27 . . . . . . . . . . . 4052 1 1211 . 1 1 108 108 LEU CD2 C 13 24.27 . . . . . . . . . . . 4052 1 1212 . 1 1 108 108 LEU N N 15 116.71 . . . . . . . . . . . 4052 1 1213 . 1 1 109 109 ALA HA H 1 4.44 . . . . . . . . . . . 4052 1 1214 . 1 1 109 109 ALA HB1 H 1 1.08 . . . . . . . . . . . 4052 1 1215 . 1 1 109 109 ALA HB2 H 1 1.08 . . . . . . . . . . . 4052 1 1216 . 1 1 109 109 ALA HB3 H 1 1.08 . . . . . . . . . . . 4052 1 1217 . 1 1 109 109 ALA H H 1 7.09 . . . . . . . . . . . 4052 1 1218 . 1 1 109 109 ALA C C 13 172.97 . . . . . . . . . . . 4052 1 1219 . 1 1 109 109 ALA CA C 13 48.77 . . . . . . . . . . . 4052 1 1220 . 1 1 109 109 ALA CB C 13 23.17 . . . . . . . . . . . 4052 1 1221 . 1 1 109 109 ALA N N 15 115.01 . . . . . . . . . . . 4052 1 1222 . 1 1 110 110 LYS HA H 1 5.11 . . . . . . . . . . . 4052 1 1223 . 1 1 110 110 LYS HB2 H 1 1.88 . . . . . . . . . . . 4052 1 1224 . 1 1 110 110 LYS HB3 H 1 1.88 . . . . . . . . . . . 4052 1 1225 . 1 1 110 110 LYS HG2 H 1 1.22 . . . . . . . . . . . 4052 1 1226 . 1 1 110 110 LYS HG3 H 1 1.35 . . . . . . . . . . . 4052 1 1227 . 1 1 110 110 LYS HD2 H 1 1.61 . . . . . . . . . . . 4052 1 1228 . 1 1 110 110 LYS HD3 H 1 1.61 . . . . . . . . . . . 4052 1 1229 . 1 1 110 110 LYS HE2 H 1 2.56 . . . . . . . . . . . 4052 1 1230 . 1 1 110 110 LYS HE3 H 1 2.67 . . . . . . . . . . . 4052 1 1231 . 1 1 110 110 LYS H H 1 8.14 . . . . . . . . . . . 4052 1 1232 . 1 1 110 110 LYS C C 13 173.77 . . . . . . . . . . . 4052 1 1233 . 1 1 110 110 LYS CA C 13 52.47 . . . . . . . . . . . 4052 1 1234 . 1 1 110 110 LYS CB C 13 34.07 . . . . . . . . . . . 4052 1 1235 . 1 1 110 110 LYS N N 15 119.51 . . . . . . . . . . . 4052 1 1236 . 1 1 111 111 VAL HA H 1 4.5 . . . . . . . . . . . 4052 1 1237 . 1 1 111 111 VAL HB H 1 2 . . . . . . . . . . . 4052 1 1238 . 1 1 111 111 VAL HG11 H 1 0.92 . . . . . . . . . . . 4052 1 1239 . 1 1 111 111 VAL HG12 H 1 0.92 . . . . . . . . . . . 4052 1 1240 . 1 1 111 111 VAL HG13 H 1 0.92 . . . . . . . . . . . 4052 1 1241 . 1 1 111 111 VAL HG21 H 1 0.98 . . . . . . . . . . . 4052 1 1242 . 1 1 111 111 VAL HG22 H 1 0.98 . . . . . . . . . . . 4052 1 1243 . 1 1 111 111 VAL HG23 H 1 0.98 . . . . . . . . . . . 4052 1 1244 . 1 1 111 111 VAL H H 1 9.05 . . . . . . . . . . . 4052 1 1245 . 1 1 111 111 VAL C C 13 174.67 . . . . . . . . . . . 4052 1 1246 . 1 1 111 111 VAL CA C 13 61.87 . . . . . . . . . . . 4052 1 1247 . 1 1 111 111 VAL CB C 13 29.47 . . . . . . . . . . . 4052 1 1248 . 1 1 111 111 VAL N N 15 124.01 . . . . . . . . . . . 4052 1 1249 . 1 1 112 112 ALA HA H 1 4.23 . . . . . . . . . . . 4052 1 1250 . 1 1 112 112 ALA HB1 H 1 1.01 . . . . . . . . . . . 4052 1 1251 . 1 1 112 112 ALA HB2 H 1 1.01 . . . . . . . . . . . 4052 1 1252 . 1 1 112 112 ALA HB3 H 1 1.01 . . . . . . . . . . . 4052 1 1253 . 1 1 112 112 ALA H H 1 7.92 . . . . . . . . . . . 4052 1 1254 . 1 1 112 112 ALA C C 13 172.67 . . . . . . . . . . . 4052 1 1255 . 1 1 112 112 ALA CA C 13 49.57 . . . . . . . . . . . 4052 1 1256 . 1 1 112 112 ALA CB C 13 21.17 . . . . . . . . . . . 4052 1 1257 . 1 1 112 112 ALA N N 15 133.11 . . . . . . . . . . . 4052 1 1258 . 1 1 113 113 TYR HA H 1 3.97 . . . . . . . . . . . 4052 1 1259 . 1 1 113 113 TYR HB2 H 1 2.95 . . . . . . . . . . . 4052 1 1260 . 1 1 113 113 TYR HB3 H 1 3.04 . . . . . . . . . . . 4052 1 1261 . 1 1 113 113 TYR HD1 H 1 6.97 . . . . . . . . . . . 4052 1 1262 . 1 1 113 113 TYR HD2 H 1 6.97 . . . . . . . . . . . 4052 1 1263 . 1 1 113 113 TYR HE1 H 1 6.76 . . . . . . . . . . . 4052 1 1264 . 1 1 113 113 TYR HE2 H 1 6.76 . . . . . . . . . . . 4052 1 1265 . 1 1 113 113 TYR H H 1 7.98 . . . . . . . . . . . 4052 1 1266 . 1 1 113 113 TYR C C 13 172.27 . . . . . . . . . . . 4052 1 1267 . 1 1 113 113 TYR CA C 13 56.77 . . . . . . . . . . . 4052 1 1268 . 1 1 113 113 TYR CB C 13 35.07 . . . . . . . . . . . 4052 1 1269 . 1 1 113 113 TYR CG C 13 129.87 . . . . . . . . . . . 4052 1 1270 . 1 1 113 113 TYR CD1 C 13 131.67 . . . . . . . . . . . 4052 1 1271 . 1 1 113 113 TYR CD2 C 13 131.67 . . . . . . . . . . . 4052 1 1272 . 1 1 113 113 TYR CE1 C 13 116.57 . . . . . . . . . . . 4052 1 1273 . 1 1 113 113 TYR CE2 C 13 116.57 . . . . . . . . . . . 4052 1 1274 . 1 1 113 113 TYR CZ C 13 155.47 . . . . . . . . . . . 4052 1 1275 . 1 1 113 113 TYR N N 15 117.11 . . . . . . . . . . . 4052 1 1276 . 1 1 114 114 VAL HA H 1 3.75 . . . . . . . . . . . 4052 1 1277 . 1 1 114 114 VAL HB H 1 1.86 . . . . . . . . . . . 4052 1 1278 . 1 1 114 114 VAL HG11 H 1 0.72 . . . . . . . . . . . 4052 1 1279 . 1 1 114 114 VAL HG12 H 1 0.72 . . . . . . . . . . . 4052 1 1280 . 1 1 114 114 VAL HG13 H 1 0.72 . . . . . . . . . . . 4052 1 1281 . 1 1 114 114 VAL HG21 H 1 0.75 . . . . . . . . . . . 4052 1 1282 . 1 1 114 114 VAL HG22 H 1 0.75 . . . . . . . . . . . 4052 1 1283 . 1 1 114 114 VAL HG23 H 1 0.75 . . . . . . . . . . . 4052 1 1284 . 1 1 114 114 VAL H H 1 7.63 . . . . . . . . . . . 4052 1 1285 . 1 1 114 114 VAL C C 13 172.77 . . . . . . . . . . . 4052 1 1286 . 1 1 114 114 VAL CA C 13 60.47 . . . . . . . . . . . 4052 1 1287 . 1 1 114 114 VAL CB C 13 30.27 . . . . . . . . . . . 4052 1 1288 . 1 1 114 114 VAL CG1 C 13 19.07 . . . . . . . . . . . 4052 1 1289 . 1 1 114 114 VAL CG2 C 13 20.57 . . . . . . . . . . . 4052 1 1290 . 1 1 114 114 VAL N N 15 124.41 . . . . . . . . . . . 4052 1 1291 . 1 1 115 115 TYR HA H 1 4.84 . . . . . . . . . . . 4052 1 1292 . 1 1 115 115 TYR HB2 H 1 2.94 . . . . . . . . . . . 4052 1 1293 . 1 1 115 115 TYR HB3 H 1 3.05 . . . . . . . . . . . 4052 1 1294 . 1 1 115 115 TYR HD1 H 1 7.2 . . . . . . . . . . . 4052 1 1295 . 1 1 115 115 TYR HD2 H 1 7.2 . . . . . . . . . . . 4052 1 1296 . 1 1 115 115 TYR HE1 H 1 6.87 . . . . . . . . . . . 4052 1 1297 . 1 1 115 115 TYR HE2 H 1 6.87 . . . . . . . . . . . 4052 1 1298 . 1 1 115 115 TYR H H 1 8.78 . . . . . . . . . . . 4052 1 1299 . 1 1 115 115 TYR C C 13 173.97 . . . . . . . . . . . 4052 1 1300 . 1 1 115 115 TYR CA C 13 54.37 . . . . . . . . . . . 4052 1 1301 . 1 1 115 115 TYR CG C 13 129.57 . . . . . . . . . . . 4052 1 1302 . 1 1 115 115 TYR CD1 C 13 132.17 . . . . . . . . . . . 4052 1 1303 . 1 1 115 115 TYR CD2 C 13 132.17 . . . . . . . . . . . 4052 1 1304 . 1 1 115 115 TYR CE1 C 13 116.47 . . . . . . . . . . . 4052 1 1305 . 1 1 115 115 TYR CE2 C 13 116.47 . . . . . . . . . . . 4052 1 1306 . 1 1 115 115 TYR CZ C 13 155.57 . . . . . . . . . . . 4052 1 1307 . 1 1 115 115 TYR N N 15 128.91 . . . . . . . . . . . 4052 1 1308 . 1 1 116 116 LYS HA H 1 3.97 . . . . . . . . . . . 4052 1 1309 . 1 1 116 116 LYS HB2 H 1 1.74 . . . . . . . . . . . 4052 1 1310 . 1 1 116 116 LYS HB3 H 1 1.74 . . . . . . . . . . . 4052 1 1311 . 1 1 116 116 LYS HG2 H 1 1.3 . . . . . . . . . . . 4052 1 1312 . 1 1 116 116 LYS HG3 H 1 1.5 . . . . . . . . . . . 4052 1 1313 . 1 1 116 116 LYS HD2 H 1 1.74 . . . . . . . . . . . 4052 1 1314 . 1 1 116 116 LYS HD3 H 1 1.74 . . . . . . . . . . . 4052 1 1315 . 1 1 116 116 LYS HE2 H 1 3 . . . . . . . . . . . 4052 1 1316 . 1 1 116 116 LYS HE3 H 1 3 . . . . . . . . . . . 4052 1 1317 . 1 1 116 116 LYS H H 1 8.65 . . . . . . . . . . . 4052 1 1318 . 1 1 116 116 LYS CA C 13 54.57 . . . . . . . . . . . 4052 1 1319 . 1 1 116 116 LYS CB C 13 30.27 . . . . . . . . . . . 4052 1 1320 . 1 1 116 116 LYS N N 15 126.81 . . . . . . . . . . . 4052 1 1321 . 1 1 117 117 PRO HA H 1 4.61 . . . . . . . . . . . 4052 1 1322 . 1 1 117 117 PRO HB2 H 1 2.12 . . . . . . . . . . . 4052 1 1323 . 1 1 117 117 PRO HB3 H 1 2.37 . . . . . . . . . . . 4052 1 1324 . 1 1 117 117 PRO HG2 H 1 1.72 . . . . . . . . . . . 4052 1 1325 . 1 1 117 117 PRO HG3 H 1 1.98 . . . . . . . . . . . 4052 1 1326 . 1 1 117 117 PRO HD2 H 1 3.33 . . . . . . . . . . . 4052 1 1327 . 1 1 117 117 PRO HD3 H 1 3.58 . . . . . . . . . . . 4052 1 1328 . 1 1 117 117 PRO C C 13 173.67 . . . . . . . . . . . 4052 1 1329 . 1 1 117 117 PRO CA C 13 62.57 . . . . . . . . . . . 4052 1 1330 . 1 1 117 117 PRO CD C 13 49.07 . . . . . . . . . . . 4052 1 1331 . 1 1 118 118 ASN HA H 1 5.29 . . . . . . . . . . . 4052 1 1332 . 1 1 118 118 ASN HB2 H 1 3.07 . . . . . . . . . . . 4052 1 1333 . 1 1 118 118 ASN HB3 H 1 3.49 . . . . . . . . . . . 4052 1 1334 . 1 1 118 118 ASN H H 1 8.6 . . . . . . . . . . . 4052 1 1335 . 1 1 118 118 ASN HD21 H 1 7.34 . . . . . . . . . . . 4052 1 1336 . 1 1 118 118 ASN HD22 H 1 7.98 . . . . . . . . . . . 4052 1 1337 . 1 1 118 118 ASN C C 13 172.47 . . . . . . . . . . . 4052 1 1338 . 1 1 118 118 ASN CA C 13 50.07 . . . . . . . . . . . 4052 1 1339 . 1 1 118 118 ASN CB C 13 34.87 . . . . . . . . . . . 4052 1 1340 . 1 1 118 118 ASN N N 15 129.11 . . . . . . . . . . . 4052 1 1341 . 1 1 118 118 ASN ND2 N 15 108.81 . . . . . . . . . . . 4052 1 1342 . 1 1 119 119 ASN HA H 1 4.91 . . . . . . . . . . . 4052 1 1343 . 1 1 119 119 ASN HB2 H 1 2.07 . . . . . . . . . . . 4052 1 1344 . 1 1 119 119 ASN HB3 H 1 3.21 . . . . . . . . . . . 4052 1 1345 . 1 1 119 119 ASN H H 1 8.13 . . . . . . . . . . . 4052 1 1346 . 1 1 119 119 ASN HD21 H 1 7.64 . . . . . . . . . . . 4052 1 1347 . 1 1 119 119 ASN HD22 H 1 6.75 . . . . . . . . . . . 4052 1 1348 . 1 1 119 119 ASN C C 13 176.17 . . . . . . . . . . . 4052 1 1349 . 1 1 119 119 ASN CA C 13 50.57 . . . . . . . . . . . 4052 1 1350 . 1 1 119 119 ASN CB C 13 38.17 . . . . . . . . . . . 4052 1 1351 . 1 1 119 119 ASN N N 15 119.21 . . . . . . . . . . . 4052 1 1352 . 1 1 119 119 ASN ND2 N 15 111.71 . . . . . . . . . . . 4052 1 1353 . 1 1 120 120 THR HA H 1 3.88 . . . . . . . . . . . 4052 1 1354 . 1 1 120 120 THR HB H 1 3.81 . . . . . . . . . . . 4052 1 1355 . 1 1 120 120 THR HG21 H 1 0.76 . . . . . . . . . . . 4052 1 1356 . 1 1 120 120 THR HG22 H 1 0.76 . . . . . . . . . . . 4052 1 1357 . 1 1 120 120 THR HG23 H 1 0.76 . . . . . . . . . . . 4052 1 1358 . 1 1 120 120 THR H H 1 10.63 . . . . . . . . . . . 4052 1 1359 . 1 1 120 120 THR C C 13 174.57 . . . . . . . . . . . 4052 1 1360 . 1 1 120 120 THR CA C 13 67.47 . . . . . . . . . . . 4052 1 1361 . 1 1 120 120 THR CB C 13 65.07 . . . . . . . . . . . 4052 1 1362 . 1 1 120 120 THR CG2 C 13 20.07 . . . . . . . . . . . 4052 1 1363 . 1 1 120 120 THR N N 15 125.21 . . . . . . . . . . . 4052 1 1364 . 1 1 121 121 HIS HA H 1 5.48 . . . . . . . . . . . 4052 1 1365 . 1 1 121 121 HIS HB2 H 1 2.35 . . . . . . . . . . . 4052 1 1366 . 1 1 121 121 HIS HB3 H 1 3.26 . . . . . . . . . . . 4052 1 1367 . 1 1 121 121 HIS HD2 H 1 4.33 . . . . . . . . . . . 4052 1 1368 . 1 1 121 121 HIS HE1 H 1 7.91 . . . . . . . . . . . 4052 1 1369 . 1 1 121 121 HIS H H 1 6.93 . . . . . . . . . . . 4052 1 1370 . 1 1 121 121 HIS C C 13 172.47 . . . . . . . . . . . 4052 1 1371 . 1 1 121 121 HIS CA C 13 51.87 . . . . . . . . . . . 4052 1 1372 . 1 1 121 121 HIS CB C 13 27.37 . . . . . . . . . . . 4052 1 1373 . 1 1 121 121 HIS CD2 C 13 117.77 . . . . . . . . . . . 4052 1 1374 . 1 1 121 121 HIS CE1 C 13 136.27 . . . . . . . . . . . 4052 1 1375 . 1 1 121 121 HIS N N 15 113.51 . . . . . . . . . . . 4052 1 1376 . 1 1 121 121 HIS NE2 N 15 172.11 . . . . . . . . . . . 4052 1 1377 . 1 1 122 122 GLU HA H 1 3.71 . . . . . . . . . . . 4052 1 1378 . 1 1 122 122 GLU HB2 H 1 1.98 . . . . . . . . . . . 4052 1 1379 . 1 1 122 122 GLU HB3 H 1 2.21 . . . . . . . . . . . 4052 1 1380 . 1 1 122 122 GLU H H 1 7.58 . . . . . . . . . . . 4052 1 1381 . 1 1 122 122 GLU C C 13 175.47 . . . . . . . . . . . 4052 1 1382 . 1 1 122 122 GLU CA C 13 59.67 . . . . . . . . . . . 4052 1 1383 . 1 1 122 122 GLU CB C 13 25.87 . . . . . . . . . . . 4052 1 1384 . 1 1 122 122 GLU N N 15 121.81 . . . . . . . . . . . 4052 1 1385 . 1 1 123 123 GLN HA H 1 4.01 . . . . . . . . . . . 4052 1 1386 . 1 1 123 123 GLN HB2 H 1 2.14 . . . . . . . . . . . 4052 1 1387 . 1 1 123 123 GLN HB3 H 1 2.14 . . . . . . . . . . . 4052 1 1388 . 1 1 123 123 GLN HG2 H 1 2.43 . . . . . . . . . . . 4052 1 1389 . 1 1 123 123 GLN HG3 H 1 2.5 . . . . . . . . . . . 4052 1 1390 . 1 1 123 123 GLN H H 1 8.86 . . . . . . . . . . . 4052 1 1391 . 1 1 123 123 GLN C C 13 176.67 . . . . . . . . . . . 4052 1 1392 . 1 1 123 123 GLN CA C 13 58.17 . . . . . . . . . . . 4052 1 1393 . 1 1 123 123 GLN CB C 13 25.87 . . . . . . . . . . . 4052 1 1394 . 1 1 123 123 GLN N N 15 119.01 . . . . . . . . . . . 4052 1 1395 . 1 1 124 124 LEU HA H 1 4.1 . . . . . . . . . . . 4052 1 1396 . 1 1 124 124 LEU HB2 H 1 1.8 . . . . . . . . . . . 4052 1 1397 . 1 1 124 124 LEU HB3 H 1 1.8 . . . . . . . . . . . 4052 1 1398 . 1 1 124 124 LEU HG H 1 1.5 . . . . . . . . . . . 4052 1 1399 . 1 1 124 124 LEU HD11 H 1 0.75 . . . . . . . . . . . 4052 1 1400 . 1 1 124 124 LEU HD12 H 1 0.75 . . . . . . . . . . . 4052 1 1401 . 1 1 124 124 LEU HD13 H 1 0.75 . . . . . . . . . . . 4052 1 1402 . 1 1 124 124 LEU HD21 H 1 0.89 . . . . . . . . . . . 4052 1 1403 . 1 1 124 124 LEU HD22 H 1 0.89 . . . . . . . . . . . 4052 1 1404 . 1 1 124 124 LEU HD23 H 1 0.89 . . . . . . . . . . . 4052 1 1405 . 1 1 124 124 LEU H H 1 7.78 . . . . . . . . . . . 4052 1 1406 . 1 1 124 124 LEU C C 13 172.17 . . . . . . . . . . . 4052 1 1407 . 1 1 124 124 LEU CA C 13 56.67 . . . . . . . . . . . 4052 1 1408 . 1 1 124 124 LEU CB C 13 40.67 . . . . . . . . . . . 4052 1 1409 . 1 1 124 124 LEU CG C 13 25.57 . . . . . . . . . . . 4052 1 1410 . 1 1 124 124 LEU CD1 C 13 22.37 . . . . . . . . . . . 4052 1 1411 . 1 1 124 124 LEU CD2 C 13 24.07 . . . . . . . . . . . 4052 1 1412 . 1 1 124 124 LEU N N 15 122.71 . . . . . . . . . . . 4052 1 1413 . 1 1 125 125 LEU HA H 1 4.03 . . . . . . . . . . . 4052 1 1414 . 1 1 125 125 LEU HB2 H 1 1.57 . . . . . . . . . . . 4052 1 1415 . 1 1 125 125 LEU HB3 H 1 1.88 . . . . . . . . . . . 4052 1 1416 . 1 1 125 125 LEU HG H 1 1.79 . . . . . . . . . . . 4052 1 1417 . 1 1 125 125 LEU HD11 H 1 0.79 . . . . . . . . . . . 4052 1 1418 . 1 1 125 125 LEU HD12 H 1 0.79 . . . . . . . . . . . 4052 1 1419 . 1 1 125 125 LEU HD13 H 1 0.79 . . . . . . . . . . . 4052 1 1420 . 1 1 125 125 LEU HD21 H 1 0.93 . . . . . . . . . . . 4052 1 1421 . 1 1 125 125 LEU HD22 H 1 0.93 . . . . . . . . . . . 4052 1 1422 . 1 1 125 125 LEU HD23 H 1 0.93 . . . . . . . . . . . 4052 1 1423 . 1 1 125 125 LEU H H 1 7.84 . . . . . . . . . . . 4052 1 1424 . 1 1 125 125 LEU C C 13 177.27 . . . . . . . . . . . 4052 1 1425 . 1 1 125 125 LEU CA C 13 57.17 . . . . . . . . . . . 4052 1 1426 . 1 1 125 125 LEU CB C 13 39.47 . . . . . . . . . . . 4052 1 1427 . 1 1 125 125 LEU CG C 13 27.67 . . . . . . . . . . . 4052 1 1428 . 1 1 125 125 LEU CD1 C 13 22.57 . . . . . . . . . . . 4052 1 1429 . 1 1 125 125 LEU CD2 C 13 24.47 . . . . . . . . . . . 4052 1 1430 . 1 1 125 125 LEU N N 15 120.51 . . . . . . . . . . . 4052 1 1431 . 1 1 126 126 ARG HA H 1 4.04 . . . . . . . . . . . 4052 1 1432 . 1 1 126 126 ARG HB2 H 1 1.85 . . . . . . . . . . . 4052 1 1433 . 1 1 126 126 ARG HB3 H 1 1.98 . . . . . . . . . . . 4052 1 1434 . 1 1 126 126 ARG HG2 H 1 1.74 . . . . . . . . . . . 4052 1 1435 . 1 1 126 126 ARG HG3 H 1 1.74 . . . . . . . . . . . 4052 1 1436 . 1 1 126 126 ARG HD2 H 1 3.25 . . . . . . . . . . . 4052 1 1437 . 1 1 126 126 ARG HD3 H 1 3.25 . . . . . . . . . . . 4052 1 1438 . 1 1 126 126 ARG H H 1 8.95 . . . . . . . . . . . 4052 1 1439 . 1 1 126 126 ARG C C 13 177.87 . . . . . . . . . . . 4052 1 1440 . 1 1 126 126 ARG CA C 13 58.77 . . . . . . . . . . . 4052 1 1441 . 1 1 126 126 ARG CG C 13 27.67 . . . . . . . . . . . 4052 1 1442 . 1 1 126 126 ARG N N 15 120.41 . . . . . . . . . . . 4052 1 1443 . 1 1 127 127 LYS HA H 1 4.16 . . . . . . . . . . . 4052 1 1444 . 1 1 127 127 LYS HB2 H 1 2.04 . . . . . . . . . . . 4052 1 1445 . 1 1 127 127 LYS HB3 H 1 2.04 . . . . . . . . . . . 4052 1 1446 . 1 1 127 127 LYS HG2 H 1 1.47 . . . . . . . . . . . 4052 1 1447 . 1 1 127 127 LYS HG3 H 1 1.62 . . . . . . . . . . . 4052 1 1448 . 1 1 127 127 LYS HD2 H 1 1.7 . . . . . . . . . . . 4052 1 1449 . 1 1 127 127 LYS HD3 H 1 1.7 . . . . . . . . . . . 4052 1 1450 . 1 1 127 127 LYS HE2 H 1 2.98 . . . . . . . . . . . 4052 1 1451 . 1 1 127 127 LYS HE3 H 1 2.98 . . . . . . . . . . . 4052 1 1452 . 1 1 127 127 LYS H H 1 8.17 . . . . . . . . . . . 4052 1 1453 . 1 1 127 127 LYS C C 13 177.97 . . . . . . . . . . . 4052 1 1454 . 1 1 127 127 LYS CA C 13 58.27 . . . . . . . . . . . 4052 1 1455 . 1 1 127 127 LYS CB C 13 29.87 . . . . . . . . . . . 4052 1 1456 . 1 1 127 127 LYS N N 15 123.81 . . . . . . . . . . . 4052 1 1457 . 1 1 128 128 SER HA H 1 4.32 . . . . . . . . . . . 4052 1 1458 . 1 1 128 128 SER HB2 H 1 3.66 . . . . . . . . . . . 4052 1 1459 . 1 1 128 128 SER HB3 H 1 4.1 . . . . . . . . . . . 4052 1 1460 . 1 1 128 128 SER H H 1 7.82 . . . . . . . . . . . 4052 1 1461 . 1 1 128 128 SER C C 13 173.87 . . . . . . . . . . . 4052 1 1462 . 1 1 128 128 SER CA C 13 61.87 . . . . . . . . . . . 4052 1 1463 . 1 1 128 128 SER CB C 13 60.87 . . . . . . . . . . . 4052 1 1464 . 1 1 128 128 SER N N 15 119.41 . . . . . . . . . . . 4052 1 1465 . 1 1 129 129 GLU HA H 1 3.93 . . . . . . . . . . . 4052 1 1466 . 1 1 129 129 GLU HB2 H 1 2.21 . . . . . . . . . . . 4052 1 1467 . 1 1 129 129 GLU HB3 H 1 2.21 . . . . . . . . . . . 4052 1 1468 . 1 1 129 129 GLU H H 1 8.52 . . . . . . . . . . . 4052 1 1469 . 1 1 129 129 GLU C C 13 175.57 . . . . . . . . . . . 4052 1 1470 . 1 1 129 129 GLU CA C 13 57.87 . . . . . . . . . . . 4052 1 1471 . 1 1 129 129 GLU N N 15 126.31 . . . . . . . . . . . 4052 1 1472 . 1 1 130 130 ALA HA H 1 3.86 . . . . . . . . . . . 4052 1 1473 . 1 1 130 130 ALA HB1 H 1 1.51 . . . . . . . . . . . 4052 1 1474 . 1 1 130 130 ALA HB2 H 1 1.51 . . . . . . . . . . . 4052 1 1475 . 1 1 130 130 ALA HB3 H 1 1.51 . . . . . . . . . . . 4052 1 1476 . 1 1 130 130 ALA H H 1 7.99 . . . . . . . . . . . 4052 1 1477 . 1 1 130 130 ALA C C 13 179.17 . . . . . . . . . . . 4052 1 1478 . 1 1 130 130 ALA CA C 13 53.37 . . . . . . . . . . . 4052 1 1479 . 1 1 130 130 ALA CB C 13 16.17 . . . . . . . . . . . 4052 1 1480 . 1 1 130 130 ALA N N 15 121.21 . . . . . . . . . . . 4052 1 1481 . 1 1 131 131 GLN HA H 1 4.01 . . . . . . . . . . . 4052 1 1482 . 1 1 131 131 GLN HB2 H 1 1.95 . . . . . . . . . . . 4052 1 1483 . 1 1 131 131 GLN HB3 H 1 2.21 . . . . . . . . . . . 4052 1 1484 . 1 1 131 131 GLN HG2 H 1 2.42 . . . . . . . . . . . 4052 1 1485 . 1 1 131 131 GLN HG3 H 1 2.42 . . . . . . . . . . . 4052 1 1486 . 1 1 131 131 GLN H H 1 7.56 . . . . . . . . . . . 4052 1 1487 . 1 1 131 131 GLN C C 13 175.57 . . . . . . . . . . . 4052 1 1488 . 1 1 131 131 GLN CA C 13 57.17 . . . . . . . . . . . 4052 1 1489 . 1 1 131 131 GLN CB C 13 26.67 . . . . . . . . . . . 4052 1 1490 . 1 1 131 131 GLN N N 15 119.71 . . . . . . . . . . . 4052 1 1491 . 1 1 132 132 ALA HA H 1 3.97 . . . . . . . . . . . 4052 1 1492 . 1 1 132 132 ALA HB1 H 1 1.77 . . . . . . . . . . . 4052 1 1493 . 1 1 132 132 ALA HB2 H 1 1.77 . . . . . . . . . . . 4052 1 1494 . 1 1 132 132 ALA HB3 H 1 1.77 . . . . . . . . . . . 4052 1 1495 . 1 1 132 132 ALA H H 1 7.95 . . . . . . . . . . . 4052 1 1496 . 1 1 132 132 ALA C C 13 177.77 . . . . . . . . . . . 4052 1 1497 . 1 1 132 132 ALA CA C 13 54.17 . . . . . . . . . . . 4052 1 1498 . 1 1 132 132 ALA CB C 13 16.97 . . . . . . . . . . . 4052 1 1499 . 1 1 132 132 ALA N N 15 124.51 . . . . . . . . . . . 4052 1 1500 . 1 1 133 133 LYS HA H 1 3.42 . . . . . . . . . . . 4052 1 1501 . 1 1 133 133 LYS HB2 H 1 0.78 . . . . . . . . . . . 4052 1 1502 . 1 1 133 133 LYS HB3 H 1 1.26 . . . . . . . . . . . 4052 1 1503 . 1 1 133 133 LYS HG2 H 1 0.14 . . . . . . . . . . . 4052 1 1504 . 1 1 133 133 LYS HG3 H 1 0.46 . . . . . . . . . . . 4052 1 1505 . 1 1 133 133 LYS HD2 H 1 0.78 . . . . . . . . . . . 4052 1 1506 . 1 1 133 133 LYS HD3 H 1 1 . . . . . . . . . . . 4052 1 1507 . 1 1 133 133 LYS HE2 H 1 2.08 . . . . . . . . . . . 4052 1 1508 . 1 1 133 133 LYS HE3 H 1 2.19 . . . . . . . . . . . 4052 1 1509 . 1 1 133 133 LYS H H 1 8.16 . . . . . . . . . . . 4052 1 1510 . 1 1 133 133 LYS C C 13 178.97 . . . . . . . . . . . 4052 1 1511 . 1 1 133 133 LYS CA C 13 57.97 . . . . . . . . . . . 4052 1 1512 . 1 1 133 133 LYS CB C 13 30.97 . . . . . . . . . . . 4052 1 1513 . 1 1 133 133 LYS CE C 13 39.67 . . . . . . . . . . . 4052 1 1514 . 1 1 133 133 LYS N N 15 118.81 . . . . . . . . . . . 4052 1 1515 . 1 1 134 134 LYS HA H 1 3.98 . . . . . . . . . . . 4052 1 1516 . 1 1 134 134 LYS HB2 H 1 1.96 . . . . . . . . . . . 4052 1 1517 . 1 1 134 134 LYS HB3 H 1 1.96 . . . . . . . . . . . 4052 1 1518 . 1 1 134 134 LYS HG2 H 1 1.47 . . . . . . . . . . . 4052 1 1519 . 1 1 134 134 LYS HG3 H 1 1.51 . . . . . . . . . . . 4052 1 1520 . 1 1 134 134 LYS HD2 H 1 1.68 . . . . . . . . . . . 4052 1 1521 . 1 1 134 134 LYS HD3 H 1 1.68 . . . . . . . . . . . 4052 1 1522 . 1 1 134 134 LYS HE2 H 1 2.98 . . . . . . . . . . . 4052 1 1523 . 1 1 134 134 LYS HE3 H 1 2.98 . . . . . . . . . . . 4052 1 1524 . 1 1 134 134 LYS H H 1 7.83 . . . . . . . . . . . 4052 1 1525 . 1 1 134 134 LYS C C 13 176.87 . . . . . . . . . . . 4052 1 1526 . 1 1 134 134 LYS CA C 13 57.67 . . . . . . . . . . . 4052 1 1527 . 1 1 134 134 LYS CB C 13 30.67 . . . . . . . . . . . 4052 1 1528 . 1 1 134 134 LYS N N 15 123.71 . . . . . . . . . . . 4052 1 1529 . 1 1 135 135 GLU HA H 1 4.07 . . . . . . . . . . . 4052 1 1530 . 1 1 135 135 GLU HB2 H 1 2.05 . . . . . . . . . . . 4052 1 1531 . 1 1 135 135 GLU HB3 H 1 2.15 . . . . . . . . . . . 4052 1 1532 . 1 1 135 135 GLU HG2 H 1 2.26 . . . . . . . . . . . 4052 1 1533 . 1 1 135 135 GLU HG3 H 1 2.53 . . . . . . . . . . . 4052 1 1534 . 1 1 135 135 GLU H H 1 7.65 . . . . . . . . . . . 4052 1 1535 . 1 1 135 135 GLU C C 13 174.27 . . . . . . . . . . . 4052 1 1536 . 1 1 135 135 GLU CA C 13 55.07 . . . . . . . . . . . 4052 1 1537 . 1 1 135 135 GLU CB C 13 28.57 . . . . . . . . . . . 4052 1 1538 . 1 1 135 135 GLU N N 15 117.91 . . . . . . . . . . . 4052 1 1539 . 1 1 136 136 LYS HA H 1 3.57 . . . . . . . . . . . 4052 1 1540 . 1 1 136 136 LYS HB2 H 1 1.82 . . . . . . . . . . . 4052 1 1541 . 1 1 136 136 LYS HB3 H 1 2.08 . . . . . . . . . . . 4052 1 1542 . 1 1 136 136 LYS HG2 H 1 1.42 . . . . . . . . . . . 4052 1 1543 . 1 1 136 136 LYS HG3 H 1 1.42 . . . . . . . . . . . 4052 1 1544 . 1 1 136 136 LYS HD2 H 1 1.74 . . . . . . . . . . . 4052 1 1545 . 1 1 136 136 LYS HD3 H 1 1.74 . . . . . . . . . . . 4052 1 1546 . 1 1 136 136 LYS HE2 H 1 3.09 . . . . . . . . . . . 4052 1 1547 . 1 1 136 136 LYS HE3 H 1 3.09 . . . . . . . . . . . 4052 1 1548 . 1 1 136 136 LYS H H 1 7.86 . . . . . . . . . . . 4052 1 1549 . 1 1 136 136 LYS C C 13 173.37 . . . . . . . . . . . 4052 1 1550 . 1 1 136 136 LYS CA C 13 55.17 . . . . . . . . . . . 4052 1 1551 . 1 1 136 136 LYS CB C 13 31.77 . . . . . . . . . . . 4052 1 1552 . 1 1 136 136 LYS N N 15 118.21 . . . . . . . . . . . 4052 1 1553 . 1 1 137 137 LEU HA H 1 4.21 . . . . . . . . . . . 4052 1 1554 . 1 1 137 137 LEU HB2 H 1 1.38 . . . . . . . . . . . 4052 1 1555 . 1 1 137 137 LEU HB3 H 1 1.54 . . . . . . . . . . . 4052 1 1556 . 1 1 137 137 LEU HG H 1 1.67 . . . . . . . . . . . 4052 1 1557 . 1 1 137 137 LEU HD11 H 1 0.85 . . . . . . . . . . . 4052 1 1558 . 1 1 137 137 LEU HD12 H 1 0.85 . . . . . . . . . . . 4052 1 1559 . 1 1 137 137 LEU HD13 H 1 0.85 . . . . . . . . . . . 4052 1 1560 . 1 1 137 137 LEU HD21 H 1 1 . . . . . . . . . . . 4052 1 1561 . 1 1 137 137 LEU HD22 H 1 1 . . . . . . . . . . . 4052 1 1562 . 1 1 137 137 LEU HD23 H 1 1 . . . . . . . . . . . 4052 1 1563 . 1 1 137 137 LEU H H 1 7.68 . . . . . . . . . . . 4052 1 1564 . 1 1 137 137 LEU C C 13 176.77 . . . . . . . . . . . 4052 1 1565 . 1 1 137 137 LEU CA C 13 53.47 . . . . . . . . . . . 4052 1 1566 . 1 1 137 137 LEU CB C 13 42.57 . . . . . . . . . . . 4052 1 1567 . 1 1 137 137 LEU CG C 13 25.07 . . . . . . . . . . . 4052 1 1568 . 1 1 137 137 LEU CD1 C 13 21.57 . . . . . . . . . . . 4052 1 1569 . 1 1 137 137 LEU CD2 C 13 23.77 . . . . . . . . . . . 4052 1 1570 . 1 1 137 137 LEU N N 15 118.81 . . . . . . . . . . . 4052 1 1571 . 1 1 138 138 ASN HA H 1 3.93 . . . . . . . . . . . 4052 1 1572 . 1 1 138 138 ASN HB2 H 1 2.85 . . . . . . . . . . . 4052 1 1573 . 1 1 138 138 ASN HB3 H 1 2.85 . . . . . . . . . . . 4052 1 1574 . 1 1 138 138 ASN H H 1 9.06 . . . . . . . . . . . 4052 1 1575 . 1 1 138 138 ASN HD21 H 1 8.22 . . . . . . . . . . . 4052 1 1576 . 1 1 138 138 ASN HD22 H 1 7.16 . . . . . . . . . . . 4052 1 1577 . 1 1 138 138 ASN C C 13 174.77 . . . . . . . . . . . 4052 1 1578 . 1 1 138 138 ASN CA C 13 54.87 . . . . . . . . . . . 4052 1 1579 . 1 1 138 138 ASN N N 15 120.61 . . . . . . . . . . . 4052 1 1580 . 1 1 138 138 ASN ND2 N 15 116.51 . . . . . . . . . . . 4052 1 1581 . 1 1 139 139 ILE HA H 1 3.35 . . . . . . . . . . . 4052 1 1582 . 1 1 139 139 ILE HB H 1 1.1 . . . . . . . . . . . 4052 1 1583 . 1 1 139 139 ILE HG12 H 1 0.51 . . . . . . . . . . . 4052 1 1584 . 1 1 139 139 ILE HG13 H 1 0.51 . . . . . . . . . . . 4052 1 1585 . 1 1 139 139 ILE HG21 H 1 0.17 . . . . . . . . . . . 4052 1 1586 . 1 1 139 139 ILE HG22 H 1 0.17 . . . . . . . . . . . 4052 1 1587 . 1 1 139 139 ILE HG23 H 1 0.17 . . . . . . . . . . . 4052 1 1588 . 1 1 139 139 ILE HD11 H 1 0.05 . . . . . . . . . . . 4052 1 1589 . 1 1 139 139 ILE HD12 H 1 0.05 . . . . . . . . . . . 4052 1 1590 . 1 1 139 139 ILE HD13 H 1 0.05 . . . . . . . . . . . 4052 1 1591 . 1 1 139 139 ILE H H 1 8.44 . . . . . . . . . . . 4052 1 1592 . 1 1 139 139 ILE C C 13 174.77 . . . . . . . . . . . 4052 1 1593 . 1 1 139 139 ILE CA C 13 64.17 . . . . . . . . . . . 4052 1 1594 . 1 1 139 139 ILE CB C 13 35.67 . . . . . . . . . . . 4052 1 1595 . 1 1 139 139 ILE CG2 C 13 13.87 . . . . . . . . . . . 4052 1 1596 . 1 1 139 139 ILE CD1 C 13 11.97 . . . . . . . . . . . 4052 1 1597 . 1 1 139 139 ILE N N 15 125.61 . . . . . . . . . . . 4052 1 1598 . 1 1 140 140 TRP HA H 1 4.91 . . . . . . . . . . . 4052 1 1599 . 1 1 140 140 TRP HB2 H 1 2.85 . . . . . . . . . . . 4052 1 1600 . 1 1 140 140 TRP HB3 H 1 3.71 . . . . . . . . . . . 4052 1 1601 . 1 1 140 140 TRP HD1 H 1 7.01 . . . . . . . . . . . 4052 1 1602 . 1 1 140 140 TRP HE3 H 1 7.68 . . . . . . . . . . . 4052 1 1603 . 1 1 140 140 TRP HZ2 H 1 7.51 . . . . . . . . . . . 4052 1 1604 . 1 1 140 140 TRP HZ3 H 1 7.09 . . . . . . . . . . . 4052 1 1605 . 1 1 140 140 TRP HH2 H 1 7.13 . . . . . . . . . . . 4052 1 1606 . 1 1 140 140 TRP H H 1 7.83 . . . . . . . . . . . 4052 1 1607 . 1 1 140 140 TRP C C 13 174.47 . . . . . . . . . . . 4052 1 1608 . 1 1 140 140 TRP CA C 13 53.17 . . . . . . . . . . . 4052 1 1609 . 1 1 140 140 TRP CB C 13 28.37 . . . . . . . . . . . 4052 1 1610 . 1 1 140 140 TRP CG C 13 109.67 . . . . . . . . . . . 4052 1 1611 . 1 1 140 140 TRP CD1 C 13 126.47 . . . . . . . . . . . 4052 1 1612 . 1 1 140 140 TRP CD2 C 13 127.17 . . . . . . . . . . . 4052 1 1613 . 1 1 140 140 TRP CE2 C 13 138.27 . . . . . . . . . . . 4052 1 1614 . 1 1 140 140 TRP CE3 C 13 119.67 . . . . . . . . . . . 4052 1 1615 . 1 1 140 140 TRP CZ2 C 13 113.27 . . . . . . . . . . . 4052 1 1616 . 1 1 140 140 TRP CZ3 C 13 119.67 . . . . . . . . . . . 4052 1 1617 . 1 1 140 140 TRP CH2 C 13 122.17 . . . . . . . . . . . 4052 1 1618 . 1 1 140 140 TRP N N 15 121.41 . . . . . . . . . . . 4052 1 1619 . 1 1 141 141 SER HA H 1 4.24 . . . . . . . . . . . 4052 1 1620 . 1 1 141 141 SER HB2 H 1 3.83 . . . . . . . . . . . 4052 1 1621 . 1 1 141 141 SER HB3 H 1 4.15 . . . . . . . . . . . 4052 1 1622 . 1 1 141 141 SER H H 1 8.05 . . . . . . . . . . . 4052 1 1623 . 1 1 141 141 SER C C 13 173.47 . . . . . . . . . . . 4052 1 1624 . 1 1 141 141 SER CA C 13 58.27 . . . . . . . . . . . 4052 1 1625 . 1 1 141 141 SER CB C 13 62.77 . . . . . . . . . . . 4052 1 1626 . 1 1 141 141 SER N N 15 117.41 . . . . . . . . . . . 4052 1 1627 . 1 1 142 142 GLU HA H 1 4.45 . . . . . . . . . . . 4052 1 1628 . 1 1 142 142 GLU HB2 H 1 1.97 . . . . . . . . . . . 4052 1 1629 . 1 1 142 142 GLU HB3 H 1 2.2 . . . . . . . . . . . 4052 1 1630 . 1 1 142 142 GLU HG2 H 1 2.38 . . . . . . . . . . . 4052 1 1631 . 1 1 142 142 GLU HG3 H 1 2.38 . . . . . . . . . . . 4052 1 1632 . 1 1 142 142 GLU H H 1 7.92 . . . . . . . . . . . 4052 1 1633 . 1 1 142 142 GLU C C 13 174.37 . . . . . . . . . . . 4052 1 1634 . 1 1 142 142 GLU CA C 13 58.37 . . . . . . . . . . . 4052 1 1635 . 1 1 142 142 GLU CB C 13 28.77 . . . . . . . . . . . 4052 1 1636 . 1 1 142 142 GLU N N 15 122.61 . . . . . . . . . . . 4052 1 1637 . 1 1 143 143 ASP HA H 1 4.68 . . . . . . . . . . . 4052 1 1638 . 1 1 143 143 ASP HB2 H 1 2.7 . . . . . . . . . . . 4052 1 1639 . 1 1 143 143 ASP HB3 H 1 2.78 . . . . . . . . . . . 4052 1 1640 . 1 1 143 143 ASP H H 1 8.3 . . . . . . . . . . . 4052 1 1641 . 1 1 143 143 ASP C C 13 174.27 . . . . . . . . . . . 4052 1 1642 . 1 1 143 143 ASP CB C 13 39.87 . . . . . . . . . . . 4052 1 1643 . 1 1 143 143 ASP N N 15 122.51 . . . . . . . . . . . 4052 1 1644 . 1 1 144 144 ASN C C 13 173.27 . . . . . . . . . . . 4052 1 1645 . 1 1 144 144 ASN N N 15 120.81 . . . . . . . . . . . 4052 1 1646 . 1 1 145 145 ALA C C 13 175.77 . . . . . . . . . . . 4052 1 1647 . 1 1 145 145 ALA N N 15 125.31 . . . . . . . . . . . 4052 1 1648 . 1 1 146 146 ASP C C 13 174.57 . . . . . . . . . . . 4052 1 1649 . 1 1 146 146 ASP N N 15 120.21 . . . . . . . . . . . 4052 1 1650 . 1 1 147 147 SER C C 13 173.47 . . . . . . . . . . . 4052 1 1651 . 1 1 147 147 SER N N 15 117.01 . . . . . . . . . . . 4052 1 1652 . 1 1 148 148 GLY H H 1 8.41 . . . . . . . . . . . 4052 1 1653 . 1 1 148 148 GLY C C 13 171.67 . . . . . . . . . . . 4052 1 1654 . 1 1 148 148 GLY N N 15 112.21 . . . . . . . . . . . 4052 1 1655 . 1 1 149 149 GLN N N 15 126.31 . . . . . . . . . . . 4052 1 stop_ save_