data_4964 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4964 _Entry.Title ; 1H, 13C and 15N resonance assignment for barnase ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-02-28 _Entry.Accession_date 2001-02-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Eduard Bocharov . V. . 4964 2 Dmitry Korzhnev . M. . 4964 3 Anastasya Zhuravlyova . V. . 4964 4 Eugene Tischenko . V. . 4964 5 Mikhail Reibarkh . Ya. . 4964 6 Yaroslav Ermolyuk . S. . 4964 7 Alexey Schulga . A. . 4964 8 Mikhail Kirpichnikov . P. . 4964 9 Martin Billeter . . . 4964 10 Alexander Arseniev . S. . 4964 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4964 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 769 4964 '13C chemical shifts' 496 4964 '15N chemical shifts' 118 4964 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 . . 2002-07-26 . update author 'correct 13C chemical shifts by 2.0 ppm' 4964 2 . . 2001-08-08 . original author 'original release' 4964 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 975 'Sequential Assignment of the 1H NMR of Barnase' 4964 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4964 _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 '1H, 13C and 15N resonance assignment for barnase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Appl. Magn. Reson.' _Citation.Journal_name_full . _Citation.Journal_volume 21 _Citation.Journal_issue . _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 195 _Citation.Page_last 201 _Citation.Year 2001 _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 Dmitry Korzhnev . M. . 4964 1 2 Eduard Bocharov . V. . 4964 1 3 Anastasya Zhuravlyova . V. . 4964 1 4 Eugene Tischenko . V. . 4964 1 5 Mikhail Reibarkh . Ya. . 4964 1 6 Yaroslav Ermolyuk . S. . 4964 1 7 Alexey Schulga . A. . 4964 1 8 Mikhail Kirpichnikov . P. . 4964 1 9 Martin Billeter . . . 4964 1 10 Alexander Arseniev . S. . 4964 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ribonuclease 4964 1 barstar 4964 1 complex 4964 1 'protein-protein interactions' 4964 1 stop_ save_ save_ref-1 _Citation.Sf_category citations _Citation.Sf_framecode ref-1 _Citation.Entry_ID 4964 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bartels C., Xia T.-H., Billeter M., Guntert P. & Wuthrich K. The program XEASY for computer-supported NMR spectral analysis of biological macromolecules, J. Biomol. NMR (1995) 6, 1-10. ; _Citation.Title . _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_barnase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_barnase _Assembly.Entry_ID 4964 _Assembly.ID 1 _Assembly.Name barnase _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.1.27.3 _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 4964 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 barnase 1 $barnase . . . native . . . . . 4964 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID barnase system 4964 1 barnase abbreviation 4964 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ribonuclease 4964 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_barnase _Entity.Sf_category entity _Entity.Sf_framecode barnase _Entity.Entry_ID 4964 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name barnase _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 ; AQVINTFDGVADYLQTYHKL PDNYITKSEAQALGWVASKG NLADVAPGKSIGGDIFSNRE GKLPGKSGRTWREADINYTS GFRNSDRILYSSDWLIYKTT DHYQTFTKIR ; _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 110 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16169 . barnase . . . . . 98.18 108 99.07 99.07 2.74e-71 . . . . 4964 1 2 no BMRB 16170 . barnase . . . . . 98.18 108 99.07 99.07 2.74e-71 . . . . 4964 1 3 no BMRB 16171 . barnase . . . . . 98.18 108 99.07 99.07 2.74e-71 . . . . 4964 1 4 no BMRB 16172 . barnase . . . . . 98.18 108 99.07 99.07 2.74e-71 . . . . 4964 1 5 no BMRB 2066 . barnase . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 6 no BMRB 2067 . barnase . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 7 no BMRB 2070 . barnase . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 8 no BMRB 7139 . barnase . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 9 no BMRB 975 . barnase . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 10 no PDB 1A2P . "Barnase Wildtype Structure At 1.5 Angstroms Resolution" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 11 no PDB 1B20 . "Deletion Of A Buried Salt-Bridge In Barnase" . . . . . 100.00 110 99.09 99.09 2.85e-73 . . . . 4964 1 12 no PDB 1B21 . "Deletion Of A Buried Salt Bridge In Barnase" . . . . . 100.00 110 98.18 99.09 1.03e-72 . . . . 4964 1 13 no PDB 1B27 . "Structural Response To Mutation At A Protein-Protein Interface" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 14 no PDB 1B2S . "Structural Response To Mutation At A Protein-Protein Interface" . . . . . 100.00 110 99.09 99.09 1.97e-73 . . . . 4964 1 15 no PDB 1B2U . "Structural Response To Mutation At A Protein-Protein Interface" . . . . . 100.00 110 99.09 99.09 1.97e-73 . . . . 4964 1 16 no PDB 1B2X . "Barnase Wildtype Structure At Ph 7.5 From A Cryo_cooled Crystal At 100k" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 17 no PDB 1B2Z . "Deletion Of A Buried Salt Bridge In Barnase" . . . . . 100.00 110 99.09 100.00 1.42e-73 . . . . 4964 1 18 no PDB 1B3S . "Structural Response To Mutation At A Protein-Protein Interface" . . . . . 100.00 110 99.09 99.09 6.19e-73 . . . . 4964 1 19 no PDB 1BAN . "The Contribution Of Buried Hydrogen Bonds To Protein Stability: The Crystal Structures Of Two Barnase Mutants" . . . . . 100.00 110 99.09 100.00 8.50e-74 . . . . 4964 1 20 no PDB 1BAO . "The Contribution Of Buried Hydrogen Bonds To Protein Stability: The Crystal Structures Of Two Barnase Mutants" . . . . . 100.00 110 99.09 100.00 9.17e-74 . . . . 4964 1 21 no PDB 1BGS . "Recognition Between A Bacterial Ribonuclease, Barnase, And Its Natural Inhibitor, Barstar" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 22 no PDB 1BNE . "Barnase A43cS80C DISULFIDE MUTANT" . . . . . 100.00 110 98.18 98.18 2.82e-73 . . . . 4964 1 23 no PDB 1BNF . "Barnase T70cS92C DISULFIDE MUTANT" . . . . . 100.00 110 98.18 98.18 3.18e-73 . . . . 4964 1 24 no PDB 1BNG . "Barnase S85cH102C DISULFIDE MUTANT" . . . . . 100.00 110 98.18 98.18 1.95e-72 . . . . 4964 1 25 no PDB 1BNI . "Barnase Wildtype Structure At Ph 6.0" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 26 no PDB 1BNJ . "Barnase Wildtype Structure At Ph 9.0" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 27 no PDB 1BNR . Barnase . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 28 no PDB 1BNS . "Structural Studies Of Barnase Mutants" . . . . . 100.00 110 99.09 99.09 1.52e-73 . . . . 4964 1 29 no PDB 1BRG . "Crystallographic Analysis Of Phe->leu Substitution In The Hydrophobic Core Of Barnase" . . . . . 98.18 108 99.07 99.07 7.31e-72 . . . . 4964 1 30 no PDB 1BRH . "Barnase Mutant With Leu 14 Replaced By Ala" . . . . . 100.00 110 99.09 99.09 1.91e-73 . . . . 4964 1 31 no PDB 1BRI . "Barnase Mutant With Ile 76 Replaced By Ala" . . . . . 100.00 110 99.09 99.09 1.77e-73 . . . . 4964 1 32 no PDB 1BRJ . "Barnase Mutant With Ile 88 Replaced By Ala" . . . . . 100.00 110 99.09 99.09 1.77e-73 . . . . 4964 1 33 no PDB 1BRK . "Barnase Mutant With Ile 96 Replaced By Ala" . . . . . 100.00 110 99.09 99.09 1.77e-73 . . . . 4964 1 34 no PDB 1BRN . "Subsite Binding In An Rnase: Structure Of A Barnase- Tetranucleotide Complex At 1.76 Angstroms Resolution" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 35 no PDB 1BRS . "Protein-Protein Recognition: Crystal Structural Analysis Of A Barnase-Barstar Complex At 2.0-A Resolution" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 36 no PDB 1BSA . "Crystal Structural Analysis Of Mutations In The Hydrophobic Cores Of Barnase" . . . . . 100.00 110 99.09 100.00 5.03e-74 . . . . 4964 1 37 no PDB 1BSB . "Crystal Structural Analysis Of Mutations In The Hydrophobic Cores Of Barnase" . . . . . 100.00 110 99.09 100.00 5.03e-74 . . . . 4964 1 38 no PDB 1BSC . "Crystal Structural Analysis Of Mutations In The Hydrophobic Cores Of Barnase" . . . . . 100.00 110 99.09 100.00 5.03e-74 . . . . 4964 1 39 no PDB 1BSD . "Crystal Structural Analysis Of Mutations In The Hydrophobic Cores Of Barnase" . . . . . 100.00 110 99.09 100.00 5.03e-74 . . . . 4964 1 40 no PDB 1BSE . "Crystal Structural Analysis Of Mutations In The Hydrophobic Cores Of Barnase" . . . . . 100.00 110 99.09 100.00 1.05e-73 . . . . 4964 1 41 no PDB 1FW7 . "Nmr Structure Of 15n-Labeled Barnase" . . . . . 99.09 110 100.00 100.00 1.88e-73 . . . . 4964 1 42 no PDB 1RNB . "Crystal Structure Of A Barnase-D(GpC) Complex At 1.9 Angstroms Resolution" . . . . . 100.00 110 98.18 100.00 1.00e-72 . . . . 4964 1 43 no PDB 1X1U . "Water-Mediate Interaction At Aprotein-Protein Interface" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 44 no PDB 1X1W . "Water-Mediate Interaction At Aprotein-Protein Interface" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 45 no PDB 1X1X . "Water-Mediate Interaction At Aprotein-Protein Interface" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 46 no PDB 1X1Y . "Water-Mediate Interaction At Aprotein-Protein Interface" . . . . . 100.00 110 99.09 99.09 2.92e-73 . . . . 4964 1 47 no PDB 1YVS . "Trimeric Domain Swapped Barnase" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 48 no PDB 2C4B . "Inhibitor Cystine Knot Protein Mcoeeti Fused To The Catalytically Inactive Barnase Mutant H102a" . . . . . 99.09 143 99.08 99.08 1.18e-72 . . . . 4964 1 49 no PDB 2F4Y . "Barnase Cross-Linked With Glutaraldehyde" . . . . . 98.18 108 100.00 100.00 1.23e-72 . . . . 4964 1 50 no PDB 2F56 . "Barnase Cross-Linked With Glutaraldehyde Soaked In 6m Urea" . . . . . 98.18 108 100.00 100.00 1.23e-72 . . . . 4964 1 51 no PDB 2F5M . "Cross-Linked Barnase Soaked In Bromo-Ethanol" . . . . . 98.18 108 100.00 100.00 1.23e-72 . . . . 4964 1 52 no PDB 2F5W . "Cross-Linked Barnase Soaked In 3 M Thiourea" . . . . . 98.18 108 100.00 100.00 1.23e-72 . . . . 4964 1 53 no PDB 2KF3 . "Barnase, Low Pressure Reference Nmr Structure" . . . . . 100.00 110 99.09 99.09 6.19e-73 . . . . 4964 1 54 no PDB 2KF4 . "Barnase High Pressure Structure" . . . . . 100.00 110 99.09 99.09 6.19e-73 . . . . 4964 1 55 no PDB 2KF5 . "Barnase Bound To D(Cgac), Low Pressure" . . . . . 100.00 110 99.09 99.09 6.19e-73 . . . . 4964 1 56 no PDB 2KF6 . "Barnase Bound To D(Cgac) High Pressure" . . . . . 100.00 110 99.09 99.09 6.19e-73 . . . . 4964 1 57 no PDB 2ZA4 . "Crystal Structural Analysis Of Barnase-barstar Complex" . . . . . 100.00 110 99.09 99.09 1.97e-73 . . . . 4964 1 58 no PDB 3KCH . "Baranase Crosslinked By Glutaraldehyde" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 59 no EMBL CAA31365 . "barnase [Bacillus amyloliquefaciens]" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 4964 1 60 no EMBL CBI44445 . "putative ribonuclease RBAM_031940 [Bacillus amyloliquefaciens DSM 7]" . . . . . 100.00 157 100.00 100.00 4.01e-75 . . . . 4964 1 61 no EMBL CCF06756 . "Ribonuclease Barnase [Bacillus amyloliquefaciens subsp. plantarum CAU B946]" . . . . . 100.00 157 98.18 99.09 2.24e-73 . . . . 4964 1 62 no EMBL CCG51396 . "Ribonuclease Barnase [Bacillus amyloliquefaciens subsp. plantarum YAU B9601-Y2]" . . . . . 100.00 157 97.27 99.09 3.14e-73 . . . . 4964 1 63 no EMBL CDG27389 . "Ribonuclease [Bacillus amyloliquefaciens subsp. plantarum UCMB5113]" . . . . . 100.00 149 98.18 99.09 6.56e-74 . . . . 4964 1 64 no GB AAA86441 . "barnase (RNase) precursor [Bacillus amyloliquefaciens]" . . . . . 100.00 149 100.00 100.00 4.06e-75 . . . . 4964 1 65 no GB AAB28825 . "RNase Bci=extracellular ribonuclease {EC 3.1.27.1} [Bacillus circulans, BCF 247, Peptide, 110 aa]" . . . . . 100.00 110 97.27 98.18 7.87e-72 . . . . 4964 1 66 no GB AAB29635 . "RNase=extracellular ribonuclease [Bacillus circulans, Peptide, 110 aa]" . . . . . 100.00 110 97.27 98.18 7.87e-72 . . . . 4964 1 67 no GB AAC53661 . "barnase [synthetic construct]" . . . . . 100.00 111 100.00 100.00 2.55e-74 . . . . 4964 1 68 no GB AAP41137 . "barnase ribonuclease precursor [Cloning vector pHRBar-6]" . . . . . 100.00 131 100.00 100.00 1.33e-74 . . . . 4964 1 69 no PRF 1204204A . barnase . . . . . 100.00 157 100.00 100.00 3.19e-75 . . . . 4964 1 70 no PRF 2004243A . RNase . . . . . 100.00 110 97.27 98.18 7.87e-72 . . . . 4964 1 71 no PRF 721946A . RNase . . . . . 100.00 110 98.18 100.00 1.00e-72 . . . . 4964 1 72 no REF WP_003151497 . "ribonuclease [Bacillus amyloliquefaciens]" . . . . . 100.00 157 98.18 99.09 2.24e-73 . . . . 4964 1 73 no REF WP_007407419 . "MULTISPECIES: ribonuclease [Bacillales]" . . . . . 100.00 157 97.27 99.09 3.14e-73 . . . . 4964 1 74 no REF WP_012118533 . "ribonuclease [Bacillus amyloliquefaciens]" . . . . . 100.00 149 97.27 99.09 2.86e-73 . . . . 4964 1 75 no REF WP_013353722 . "ribonuclease [Bacillus amyloliquefaciens]" . . . . . 100.00 157 100.00 100.00 4.01e-75 . . . . 4964 1 76 no REF WP_014472289 . "ribonuclease [Bacillus amyloliquefaciens]" . . . . . 100.00 164 100.00 100.00 3.74e-75 . . . . 4964 1 77 no SP P00648 . "RecName: Full=Ribonuclease; AltName: Full=Barnase; AltName: Full=RNase Ba; Flags: Precursor [Bacillus amyloliquefaciens]" . . . . . 100.00 157 100.00 100.00 3.19e-75 . . . . 4964 1 78 no SP P35078 . "RecName: Full=Ribonuclease; AltName: Full=RNase Bci [Bacillus circulans]" . . . . . 100.00 110 97.27 98.18 7.87e-72 . . . . 4964 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID barnase common 4964 1 barnase abbreviation 4964 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 . 4964 1 2 . GLN . 4964 1 3 . VAL . 4964 1 4 . ILE . 4964 1 5 . ASN . 4964 1 6 . THR . 4964 1 7 . PHE . 4964 1 8 . ASP . 4964 1 9 . GLY . 4964 1 10 . VAL . 4964 1 11 . ALA . 4964 1 12 . ASP . 4964 1 13 . TYR . 4964 1 14 . LEU . 4964 1 15 . GLN . 4964 1 16 . THR . 4964 1 17 . TYR . 4964 1 18 . HIS . 4964 1 19 . LYS . 4964 1 20 . LEU . 4964 1 21 . PRO . 4964 1 22 . ASP . 4964 1 23 . ASN . 4964 1 24 . TYR . 4964 1 25 . ILE . 4964 1 26 . THR . 4964 1 27 . LYS . 4964 1 28 . SER . 4964 1 29 . GLU . 4964 1 30 . ALA . 4964 1 31 . GLN . 4964 1 32 . ALA . 4964 1 33 . LEU . 4964 1 34 . GLY . 4964 1 35 . TRP . 4964 1 36 . VAL . 4964 1 37 . ALA . 4964 1 38 . SER . 4964 1 39 . LYS . 4964 1 40 . GLY . 4964 1 41 . ASN . 4964 1 42 . LEU . 4964 1 43 . ALA . 4964 1 44 . ASP . 4964 1 45 . VAL . 4964 1 46 . ALA . 4964 1 47 . PRO . 4964 1 48 . GLY . 4964 1 49 . LYS . 4964 1 50 . SER . 4964 1 51 . ILE . 4964 1 52 . GLY . 4964 1 53 . GLY . 4964 1 54 . ASP . 4964 1 55 . ILE . 4964 1 56 . PHE . 4964 1 57 . SER . 4964 1 58 . ASN . 4964 1 59 . ARG . 4964 1 60 . GLU . 4964 1 61 . GLY . 4964 1 62 . LYS . 4964 1 63 . LEU . 4964 1 64 . PRO . 4964 1 65 . GLY . 4964 1 66 . LYS . 4964 1 67 . SER . 4964 1 68 . GLY . 4964 1 69 . ARG . 4964 1 70 . THR . 4964 1 71 . TRP . 4964 1 72 . ARG . 4964 1 73 . GLU . 4964 1 74 . ALA . 4964 1 75 . ASP . 4964 1 76 . ILE . 4964 1 77 . ASN . 4964 1 78 . TYR . 4964 1 79 . THR . 4964 1 80 . SER . 4964 1 81 . GLY . 4964 1 82 . PHE . 4964 1 83 . ARG . 4964 1 84 . ASN . 4964 1 85 . SER . 4964 1 86 . ASP . 4964 1 87 . ARG . 4964 1 88 . ILE . 4964 1 89 . LEU . 4964 1 90 . TYR . 4964 1 91 . SER . 4964 1 92 . SER . 4964 1 93 . ASP . 4964 1 94 . TRP . 4964 1 95 . LEU . 4964 1 96 . ILE . 4964 1 97 . TYR . 4964 1 98 . LYS . 4964 1 99 . THR . 4964 1 100 . THR . 4964 1 101 . ASP . 4964 1 102 . HIS . 4964 1 103 . TYR . 4964 1 104 . GLN . 4964 1 105 . THR . 4964 1 106 . PHE . 4964 1 107 . THR . 4964 1 108 . LYS . 4964 1 109 . ILE . 4964 1 110 . ARG . 4964 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 4964 1 . GLN 2 2 4964 1 . VAL 3 3 4964 1 . ILE 4 4 4964 1 . ASN 5 5 4964 1 . THR 6 6 4964 1 . PHE 7 7 4964 1 . ASP 8 8 4964 1 . GLY 9 9 4964 1 . VAL 10 10 4964 1 . ALA 11 11 4964 1 . ASP 12 12 4964 1 . TYR 13 13 4964 1 . LEU 14 14 4964 1 . GLN 15 15 4964 1 . THR 16 16 4964 1 . TYR 17 17 4964 1 . HIS 18 18 4964 1 . LYS 19 19 4964 1 . LEU 20 20 4964 1 . PRO 21 21 4964 1 . ASP 22 22 4964 1 . ASN 23 23 4964 1 . TYR 24 24 4964 1 . ILE 25 25 4964 1 . THR 26 26 4964 1 . LYS 27 27 4964 1 . SER 28 28 4964 1 . GLU 29 29 4964 1 . ALA 30 30 4964 1 . GLN 31 31 4964 1 . ALA 32 32 4964 1 . LEU 33 33 4964 1 . GLY 34 34 4964 1 . TRP 35 35 4964 1 . VAL 36 36 4964 1 . ALA 37 37 4964 1 . SER 38 38 4964 1 . LYS 39 39 4964 1 . GLY 40 40 4964 1 . ASN 41 41 4964 1 . LEU 42 42 4964 1 . ALA 43 43 4964 1 . ASP 44 44 4964 1 . VAL 45 45 4964 1 . ALA 46 46 4964 1 . PRO 47 47 4964 1 . GLY 48 48 4964 1 . LYS 49 49 4964 1 . SER 50 50 4964 1 . ILE 51 51 4964 1 . GLY 52 52 4964 1 . GLY 53 53 4964 1 . ASP 54 54 4964 1 . ILE 55 55 4964 1 . PHE 56 56 4964 1 . SER 57 57 4964 1 . ASN 58 58 4964 1 . ARG 59 59 4964 1 . GLU 60 60 4964 1 . GLY 61 61 4964 1 . LYS 62 62 4964 1 . LEU 63 63 4964 1 . PRO 64 64 4964 1 . GLY 65 65 4964 1 . LYS 66 66 4964 1 . SER 67 67 4964 1 . GLY 68 68 4964 1 . ARG 69 69 4964 1 . THR 70 70 4964 1 . TRP 71 71 4964 1 . ARG 72 72 4964 1 . GLU 73 73 4964 1 . ALA 74 74 4964 1 . ASP 75 75 4964 1 . ILE 76 76 4964 1 . ASN 77 77 4964 1 . TYR 78 78 4964 1 . THR 79 79 4964 1 . SER 80 80 4964 1 . GLY 81 81 4964 1 . PHE 82 82 4964 1 . ARG 83 83 4964 1 . ASN 84 84 4964 1 . SER 85 85 4964 1 . ASP 86 86 4964 1 . ARG 87 87 4964 1 . ILE 88 88 4964 1 . LEU 89 89 4964 1 . TYR 90 90 4964 1 . SER 91 91 4964 1 . SER 92 92 4964 1 . ASP 93 93 4964 1 . TRP 94 94 4964 1 . LEU 95 95 4964 1 . ILE 96 96 4964 1 . TYR 97 97 4964 1 . LYS 98 98 4964 1 . THR 99 99 4964 1 . THR 100 100 4964 1 . ASP 101 101 4964 1 . HIS 102 102 4964 1 . TYR 103 103 4964 1 . GLN 104 104 4964 1 . THR 105 105 4964 1 . PHE 106 106 4964 1 . THR 107 107 4964 1 . LYS 108 108 4964 1 . ILE 109 109 4964 1 . ARG 110 110 4964 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 4964 _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 $barnase . 1390 organism . 'Bacillus amyloliquefaciens' 'Bacillus amyloliquefaciens' . . Eubacteria . Bacillus amyloliquefaciens . . . . . . . . . . . . . . . . . . . . . 4964 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 4964 _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 $barnase . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4964 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_brn1 _Sample.Sf_category sample _Sample.Sf_framecode brn1 _Sample.Entry_ID 4964 _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 barnase '[U-13C; U-15N; U-40% 2H]' . . 1 $barnase . . 1.2 . . mM . . . . 4964 1 stop_ save_ save_brn2 _Sample.Sf_category sample _Sample.Sf_framecode brn2 _Sample.Entry_ID 4964 _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 barnase [U-15N] . . 1 $barnase . . 1.0 . . mM . . . . 4964 2 stop_ save_ save_brn3 _Sample.Sf_category sample _Sample.Sf_framecode brn3 _Sample.Entry_ID 4964 _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 barnase . . . 1 $barnase . . 1.0 . . mM . . . . 4964 3 stop_ save_ ####################### # Sample conditions # ####################### save_brn1_condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode brn1_condition _Sample_condition_list.Entry_ID 4964 _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 6.7 0.5 n/a 4964 1 temperature 303 0.5 K 4964 1 'ionic strength' 0.03 . M 4964 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4964 _Software.ID 1 _Software.Name XEASY _Software.Version 1.2.11 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 4964 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-1 4964 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4964 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4964 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _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 4964 _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_1 Varian INOVA . 600 . . . 4964 1 2 NMR_spectrometer_2 Varian UNITY . 600 . . . 4964 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 4964 _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 15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4964 1 2 13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4964 1 3 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4964 1 4 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4964 1 5 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4964 1 6 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4964 1 7 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4964 1 8 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4964 1 9 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4964 1 10 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4964 1 11 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4964 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4964 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4964 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4964 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name NOESY _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_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4964 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name TOCSY _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_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4964 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4964 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4964 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCA _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_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4964 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4964 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNHA _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_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4964 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNCO _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_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4964 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCH-TOCSY _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 4964 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4964 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4964 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4964 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_brn1_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode brn1_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4964 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $brn1_condition _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 ; Stereo-specific assignments were obtained for 9 of 10 possible HA1/2 of Gly (all except Gly68), 49 of 71 possible HB2/3. Namely, HA1 for residues 9 34 40 48 52 53 61 65 81 HB2 for residues 5 12 14 17 19 20 23 24 29 31 33 35 39 41 42 47 49 HB2 for residues 50 54 56 62 63 64 66 69 71 72 73 75 77 HB2 for residues 82 83 84 86 89 90 91 92 93 94 95 97 98 101 102 104 106 108 110 Unassigned resonances: ALA 1 - C' GLN 2 - N HN LEU 20 - C' SER 38 - N HN ALA 46 - C' PHE 56 - C' SER 57 - N HN ASN 58 - C' ARG 59 - N HN NE HE CZ LEU 63 - C' LYS 66 - C' SER 67 - N HN GLY 68 - N HN ; _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 15N-HSQC . . . 4964 1 2 13C-HSQC . . . 4964 1 3 NOESY . . . 4964 1 4 TOCSY . . . 4964 1 5 '1H-15N NOESY-HSQC' . . . 4964 1 6 '1H-15N TOCSY-HSQC' . . . 4964 1 7 HNCA . . . 4964 1 8 HNCACB . . . 4964 1 9 HNHA . . . 4964 1 10 HNCO . . . 4964 1 11 HCCH-TOCSY . . . 4964 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 1 1 ALA CA C 13 51.2 0.2 . 1 . . . . . . . . 4964 1 2 . 1 1 1 1 ALA HA H 1 4.08 0.02 . 1 . . . . . . . . 4964 1 3 . 1 1 1 1 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . 4964 1 4 . 1 1 1 1 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . 4964 1 5 . 1 1 1 1 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . 4964 1 6 . 1 1 1 1 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 4964 1 7 . 1 1 2 2 GLN CA C 13 55.1 0.2 . 1 . . . . . . . . 4964 1 8 . 1 1 2 2 GLN HA H 1 4.42 0.02 . 1 . . . . . . . . 4964 1 9 . 1 1 2 2 GLN CB C 13 29.0 0.2 . 1 . . . . . . . . 4964 1 10 . 1 1 2 2 GLN HB2 H 1 2.02 0.02 . 1 . . . . . . . . 4964 1 11 . 1 1 2 2 GLN HB3 H 1 1.98 0.02 . 1 . . . . . . . . 4964 1 12 . 1 1 2 2 GLN CG C 13 30.0 0.2 . 1 . . . . . . . . 4964 1 13 . 1 1 2 2 GLN HG2 H 1 2.32 0.02 . 1 . . . . . . . . 4964 1 14 . 1 1 2 2 GLN HG3 H 1 2.35 0.02 . 1 . . . . . . . . 4964 1 15 . 1 1 2 2 GLN NE2 N 15 116.5 0.2 . 1 . . . . . . . . 4964 1 16 . 1 1 2 2 GLN HE21 H 1 7.57 0.02 . 1 . . . . . . . . 4964 1 17 . 1 1 2 2 GLN HE22 H 1 6.93 0.02 . 1 . . . . . . . . 4964 1 18 . 1 1 2 2 GLN C C 13 174.8 0.2 . 1 . . . . . . . . 4964 1 19 . 1 1 3 3 VAL N N 15 126.6 0.2 . 1 . . . . . . . . 4964 1 20 . 1 1 3 3 VAL H H 1 8.30 0.02 . 1 . . . . . . . . 4964 1 21 . 1 1 3 3 VAL CA C 13 61.4 0.2 . 1 . . . . . . . . 4964 1 22 . 1 1 3 3 VAL HA H 1 3.88 0.02 . 1 . . . . . . . . 4964 1 23 . 1 1 3 3 VAL CB C 13 32.0 0.2 . 1 . . . . . . . . 4964 1 24 . 1 1 3 3 VAL HB H 1 1.85 0.02 . 1 . . . . . . . . 4964 1 25 . 1 1 3 3 VAL HG11 H 1 0.74 0.02 . 1 . . . . . . . . 4964 1 26 . 1 1 3 3 VAL HG12 H 1 0.74 0.02 . 1 . . . . . . . . 4964 1 27 . 1 1 3 3 VAL HG13 H 1 0.74 0.02 . 1 . . . . . . . . 4964 1 28 . 1 1 3 3 VAL HG21 H 1 0.84 0.02 . 1 . . . . . . . . 4964 1 29 . 1 1 3 3 VAL HG22 H 1 0.84 0.02 . 1 . . . . . . . . 4964 1 30 . 1 1 3 3 VAL HG23 H 1 0.84 0.02 . 1 . . . . . . . . 4964 1 31 . 1 1 3 3 VAL CG1 C 13 19.8 0.2 . 1 . . . . . . . . 4964 1 32 . 1 1 3 3 VAL CG2 C 13 19.4 0.2 . 1 . . . . . . . . 4964 1 33 . 1 1 3 3 VAL C C 13 174.7 0.2 . 1 . . . . . . . . 4964 1 34 . 1 1 4 4 ILE N N 15 130.8 0.2 . 1 . . . . . . . . 4964 1 35 . 1 1 4 4 ILE H H 1 7.86 0.02 . 1 . . . . . . . . 4964 1 36 . 1 1 4 4 ILE CA C 13 60.0 0.2 . 1 . . . . . . . . 4964 1 37 . 1 1 4 4 ILE HA H 1 4.28 0.02 . 1 . . . . . . . . 4964 1 38 . 1 1 4 4 ILE CB C 13 37.3 0.2 . 1 . . . . . . . . 4964 1 39 . 1 1 4 4 ILE HB H 1 1.72 0.02 . 1 . . . . . . . . 4964 1 40 . 1 1 4 4 ILE HG21 H 1 0.82 0.02 . 1 . . . . . . . . 4964 1 41 . 1 1 4 4 ILE HG22 H 1 0.82 0.02 . 1 . . . . . . . . 4964 1 42 . 1 1 4 4 ILE HG23 H 1 0.82 0.02 . 1 . . . . . . . . 4964 1 43 . 1 1 4 4 ILE CG2 C 13 16.1 0.2 . 1 . . . . . . . . 4964 1 44 . 1 1 4 4 ILE CG1 C 13 25.9 0.2 . 1 . . . . . . . . 4964 1 45 . 1 1 4 4 ILE HG12 H 1 1.01 0.02 . 1 . . . . . . . . 4964 1 46 . 1 1 4 4 ILE HG13 H 1 1.50 0.02 . 1 . . . . . . . . 4964 1 47 . 1 1 4 4 ILE HD11 H 1 0.88 0.02 . 1 . . . . . . . . 4964 1 48 . 1 1 4 4 ILE HD12 H 1 0.88 0.02 . 1 . . . . . . . . 4964 1 49 . 1 1 4 4 ILE HD13 H 1 0.88 0.02 . 1 . . . . . . . . 4964 1 50 . 1 1 4 4 ILE CD1 C 13 13.0 0.2 . 1 . . . . . . . . 4964 1 51 . 1 1 4 4 ILE C C 13 174.3 0.2 . 1 . . . . . . . . 4964 1 52 . 1 1 5 5 ASN N N 15 127.8 0.2 . 1 . . . . . . . . 4964 1 53 . 1 1 5 5 ASN H H 1 8.07 0.02 . 1 . . . . . . . . 4964 1 54 . 1 1 5 5 ASN CA C 13 51.9 0.2 . 1 . . . . . . . . 4964 1 55 . 1 1 5 5 ASN HA H 1 5.06 0.02 . 1 . . . . . . . . 4964 1 56 . 1 1 5 5 ASN CB C 13 37.9 0.2 . 1 . . . . . . . . 4964 1 57 . 1 1 5 5 ASN HB2 H 1 3.84 0.02 . 1 . . . . . . . . 4964 1 58 . 1 1 5 5 ASN HB3 H 1 1.95 0.02 . 1 . . . . . . . . 4964 1 59 . 1 1 5 5 ASN ND2 N 15 112.0 0.2 . 1 . . . . . . . . 4964 1 60 . 1 1 5 5 ASN HD21 H 1 6.50 0.02 . 1 . . . . . . . . 4964 1 61 . 1 1 5 5 ASN HD22 H 1 6.65 0.02 . 1 . . . . . . . . 4964 1 62 . 1 1 5 5 ASN C C 13 174.1 0.2 . 1 . . . . . . . . 4964 1 63 . 1 1 6 6 THR N N 15 111.7 0.2 . 1 . . . . . . . . 4964 1 64 . 1 1 6 6 THR H H 1 7.20 0.02 . 1 . . . . . . . . 4964 1 65 . 1 1 6 6 THR CA C 13 58.3 0.2 . 1 . . . . . . . . 4964 1 66 . 1 1 6 6 THR HA H 1 4.65 0.02 . 1 . . . . . . . . 4964 1 67 . 1 1 6 6 THR CB C 13 70.6 0.2 . 1 . . . . . . . . 4964 1 68 . 1 1 6 6 THR HB H 1 4.81 0.02 . 1 . . . . . . . . 4964 1 69 . 1 1 6 6 THR HG21 H 1 1.41 0.02 . 1 . . . . . . . . 4964 1 70 . 1 1 6 6 THR HG22 H 1 1.41 0.02 . 1 . . . . . . . . 4964 1 71 . 1 1 6 6 THR HG23 H 1 1.41 0.02 . 1 . . . . . . . . 4964 1 72 . 1 1 6 6 THR CG2 C 13 21.2 0.2 . 1 . . . . . . . . 4964 1 73 . 1 1 6 6 THR C C 13 175.2 0.2 . 1 . . . . . . . . 4964 1 74 . 1 1 7 7 PHE N N 15 124.3 0.2 . 1 . . . . . . . . 4964 1 75 . 1 1 7 7 PHE H H 1 8.94 0.02 . 1 . . . . . . . . 4964 1 76 . 1 1 7 7 PHE CA C 13 63.9 0.2 . 1 . . . . . . . . 4964 1 77 . 1 1 7 7 PHE HA H 1 4.08 0.02 . 1 . . . . . . . . 4964 1 78 . 1 1 7 7 PHE CB C 13 38.3 0.2 . 1 . . . . . . . . 4964 1 79 . 1 1 7 7 PHE HB2 H 1 3.05 0.02 . 1 . . . . . . . . 4964 1 80 . 1 1 7 7 PHE HB3 H 1 3.05 0.02 . 1 . . . . . . . . 4964 1 81 . 1 1 7 7 PHE HD1 H 1 7.34 0.02 . 1 . . . . . . . . 4964 1 82 . 1 1 7 7 PHE HD2 H 1 7.34 0.02 . 1 . . . . . . . . 4964 1 83 . 1 1 7 7 PHE HE1 H 1 7.43 0.02 . 1 . . . . . . . . 4964 1 84 . 1 1 7 7 PHE HE2 H 1 7.43 0.02 . 1 . . . . . . . . 4964 1 85 . 1 1 7 7 PHE CD1 C 13 131.8 0.2 . 1 . . . . . . . . 4964 1 86 . 1 1 7 7 PHE CD2 C 13 131.8 0.2 . 1 . . . . . . . . 4964 1 87 . 1 1 7 7 PHE CE1 C 13 131.4 0.2 . 1 . . . . . . . . 4964 1 88 . 1 1 7 7 PHE CE2 C 13 131.4 0.2 . 1 . . . . . . . . 4964 1 89 . 1 1 7 7 PHE CZ C 13 129.8 0.2 . 1 . . . . . . . . 4964 1 90 . 1 1 7 7 PHE HZ H 1 7.29 0.02 . 1 . . . . . . . . 4964 1 91 . 1 1 7 7 PHE C C 13 177.3 0.2 . 1 . . . . . . . . 4964 1 92 . 1 1 8 8 ASP N N 15 118.1 0.2 . 1 . . . . . . . . 4964 1 93 . 1 1 8 8 ASP H H 1 8.66 0.02 . 1 . . . . . . . . 4964 1 94 . 1 1 8 8 ASP CA C 13 56.6 0.2 . 1 . . . . . . . . 4964 1 95 . 1 1 8 8 ASP HA H 1 4.43 0.02 . 1 . . . . . . . . 4964 1 96 . 1 1 8 8 ASP CB C 13 40.0 0.2 . 1 . . . . . . . . 4964 1 97 . 1 1 8 8 ASP HB2 H 1 2.55 0.02 . 1 . . . . . . . . 4964 1 98 . 1 1 8 8 ASP HB3 H 1 2.74 0.02 . 1 . . . . . . . . 4964 1 99 . 1 1 8 8 ASP C C 13 177.5 0.2 . 1 . . . . . . . . 4964 1 100 . 1 1 9 9 GLY N N 15 110.6 0.2 . 1 . . . . . . . . 4964 1 101 . 1 1 9 9 GLY H H 1 7.92 0.02 . 1 . . . . . . . . 4964 1 102 . 1 1 9 9 GLY CA C 13 46.1 0.2 . 1 . . . . . . . . 4964 1 103 . 1 1 9 9 GLY HA2 H 1 3.95 0.02 . 1 . . . . . . . . 4964 1 104 . 1 1 9 9 GLY HA3 H 1 3.72 0.02 . 1 . . . . . . . . 4964 1 105 . 1 1 9 9 GLY C C 13 176.9 0.2 . 1 . . . . . . . . 4964 1 106 . 1 1 10 10 VAL N N 15 127.2 0.2 . 1 . . . . . . . . 4964 1 107 . 1 1 10 10 VAL H H 1 8.93 0.02 . 1 . . . . . . . . 4964 1 108 . 1 1 10 10 VAL CA C 13 66.8 0.2 . 1 . . . . . . . . 4964 1 109 . 1 1 10 10 VAL HA H 1 3.58 0.02 . 1 . . . . . . . . 4964 1 110 . 1 1 10 10 VAL CB C 13 30.5 0.2 . 1 . . . . . . . . 4964 1 111 . 1 1 10 10 VAL HB H 1 1.97 0.02 . 1 . . . . . . . . 4964 1 112 . 1 1 10 10 VAL HG11 H 1 0.70 0.02 . 1 . . . . . . . . 4964 1 113 . 1 1 10 10 VAL HG12 H 1 0.70 0.02 . 1 . . . . . . . . 4964 1 114 . 1 1 10 10 VAL HG13 H 1 0.70 0.02 . 1 . . . . . . . . 4964 1 115 . 1 1 10 10 VAL HG21 H 1 1.16 0.02 . 1 . . . . . . . . 4964 1 116 . 1 1 10 10 VAL HG22 H 1 1.16 0.02 . 1 . . . . . . . . 4964 1 117 . 1 1 10 10 VAL HG23 H 1 1.16 0.02 . 1 . . . . . . . . 4964 1 118 . 1 1 10 10 VAL CG1 C 13 21.3 0.2 . 1 . . . . . . . . 4964 1 119 . 1 1 10 10 VAL CG2 C 13 24.2 0.2 . 1 . . . . . . . . 4964 1 120 . 1 1 10 10 VAL C C 13 177.0 0.2 . 1 . . . . . . . . 4964 1 121 . 1 1 11 11 ALA N N 15 125.7 0.2 . 1 . . . . . . . . 4964 1 122 . 1 1 11 11 ALA H H 1 8.29 0.02 . 1 . . . . . . . . 4964 1 123 . 1 1 11 11 ALA CA C 13 55.8 0.2 . 1 . . . . . . . . 4964 1 124 . 1 1 11 11 ALA HA H 1 4.06 0.02 . 1 . . . . . . . . 4964 1 125 . 1 1 11 11 ALA HB1 H 1 1.61 0.02 . 1 . . . . . . . . 4964 1 126 . 1 1 11 11 ALA HB2 H 1 1.61 0.02 . 1 . . . . . . . . 4964 1 127 . 1 1 11 11 ALA HB3 H 1 1.61 0.02 . 1 . . . . . . . . 4964 1 128 . 1 1 11 11 ALA CB C 13 17.2 0.2 . 1 . . . . . . . . 4964 1 129 . 1 1 11 11 ALA C C 13 178.7 0.2 . 1 . . . . . . . . 4964 1 130 . 1 1 12 12 ASP N N 15 120.1 0.2 . 1 . . . . . . . . 4964 1 131 . 1 1 12 12 ASP H H 1 8.16 0.02 . 1 . . . . . . . . 4964 1 132 . 1 1 12 12 ASP CA C 13 56.7 0.2 . 1 . . . . . . . . 4964 1 133 . 1 1 12 12 ASP HA H 1 4.46 0.02 . 1 . . . . . . . . 4964 1 134 . 1 1 12 12 ASP CB C 13 39.6 0.2 . 1 . . . . . . . . 4964 1 135 . 1 1 12 12 ASP HB2 H 1 2.71 0.02 . 1 . . . . . . . . 4964 1 136 . 1 1 12 12 ASP HB3 H 1 2.88 0.02 . 1 . . . . . . . . 4964 1 137 . 1 1 12 12 ASP C C 13 178.1 0.2 . 1 . . . . . . . . 4964 1 138 . 1 1 13 13 TYR N N 15 128.5 0.2 . 1 . . . . . . . . 4964 1 139 . 1 1 13 13 TYR H H 1 8.08 0.02 . 1 . . . . . . . . 4964 1 140 . 1 1 13 13 TYR CA C 13 61.9 0.2 . 1 . . . . . . . . 4964 1 141 . 1 1 13 13 TYR HA H 1 4.12 0.02 . 1 . . . . . . . . 4964 1 142 . 1 1 13 13 TYR CB C 13 38.8 0.2 . 1 . . . . . . . . 4964 1 143 . 1 1 13 13 TYR HB2 H 1 3.28 0.02 . 1 . . . . . . . . 4964 1 144 . 1 1 13 13 TYR HB3 H 1 3.28 0.02 . 1 . . . . . . . . 4964 1 145 . 1 1 13 13 TYR HD1 H 1 7.43 0.02 . 1 . . . . . . . . 4964 1 146 . 1 1 13 13 TYR HD2 H 1 7.43 0.02 . 1 . . . . . . . . 4964 1 147 . 1 1 13 13 TYR HE1 H 1 6.47 0.02 . 1 . . . . . . . . 4964 1 148 . 1 1 13 13 TYR HE2 H 1 6.47 0.02 . 1 . . . . . . . . 4964 1 149 . 1 1 13 13 TYR CD1 C 13 133.4 0.2 . 1 . . . . . . . . 4964 1 150 . 1 1 13 13 TYR CD2 C 13 133.4 0.2 . 1 . . . . . . . . 4964 1 151 . 1 1 13 13 TYR CE1 C 13 117.9 0.2 . 1 . . . . . . . . 4964 1 152 . 1 1 13 13 TYR CE2 C 13 117.9 0.2 . 1 . . . . . . . . 4964 1 153 . 1 1 13 13 TYR C C 13 178.2 0.2 . 1 . . . . . . . . 4964 1 154 . 1 1 14 14 LEU N N 15 124.0 0.2 . 1 . . . . . . . . 4964 1 155 . 1 1 14 14 LEU H H 1 9.13 0.02 . 1 . . . . . . . . 4964 1 156 . 1 1 14 14 LEU CA C 13 57.7 0.2 . 1 . . . . . . . . 4964 1 157 . 1 1 14 14 LEU HA H 1 3.94 0.02 . 1 . . . . . . . . 4964 1 158 . 1 1 14 14 LEU CB C 13 42.4 0.2 . 1 . . . . . . . . 4964 1 159 . 1 1 14 14 LEU HB2 H 1 2.16 0.02 . 1 . . . . . . . . 4964 1 160 . 1 1 14 14 LEU HB3 H 1 1.17 0.02 . 1 . . . . . . . . 4964 1 161 . 1 1 14 14 LEU CG C 13 26.0 0.2 . 1 . . . . . . . . 4964 1 162 . 1 1 14 14 LEU HG H 1 1.57 0.02 . 1 . . . . . . . . 4964 1 163 . 1 1 14 14 LEU HD11 H 1 0.42 0.02 . 1 . . . . . . . . 4964 1 164 . 1 1 14 14 LEU HD12 H 1 0.42 0.02 . 1 . . . . . . . . 4964 1 165 . 1 1 14 14 LEU HD13 H 1 0.42 0.02 . 1 . . . . . . . . 4964 1 166 . 1 1 14 14 LEU HD21 H 1 0.14 0.02 . 1 . . . . . . . . 4964 1 167 . 1 1 14 14 LEU HD22 H 1 0.14 0.02 . 1 . . . . . . . . 4964 1 168 . 1 1 14 14 LEU HD23 H 1 0.14 0.02 . 1 . . . . . . . . 4964 1 169 . 1 1 14 14 LEU CD1 C 13 25.7 0.2 . 1 . . . . . . . . 4964 1 170 . 1 1 14 14 LEU CD2 C 13 20.6 0.2 . 1 . . . . . . . . 4964 1 171 . 1 1 14 14 LEU C C 13 179.4 0.2 . 1 . . . . . . . . 4964 1 172 . 1 1 15 15 GLN N N 15 119.3 0.2 . 1 . . . . . . . . 4964 1 173 . 1 1 15 15 GLN H H 1 8.03 0.02 . 1 . . . . . . . . 4964 1 174 . 1 1 15 15 GLN CA C 13 58.7 0.2 . 1 . . . . . . . . 4964 1 175 . 1 1 15 15 GLN HA H 1 3.78 0.02 . 1 . . . . . . . . 4964 1 176 . 1 1 15 15 GLN CB C 13 28.5 0.2 . 1 . . . . . . . . 4964 1 177 . 1 1 15 15 GLN HB2 H 1 2.08 0.02 . 1 . . . . . . . . 4964 1 178 . 1 1 15 15 GLN HB3 H 1 2.17 0.02 . 1 . . . . . . . . 4964 1 179 . 1 1 15 15 GLN CG C 13 34.3 0.2 . 1 . . . . . . . . 4964 1 180 . 1 1 15 15 GLN HG2 H 1 2.31 0.02 . 1 . . . . . . . . 4964 1 181 . 1 1 15 15 GLN HG3 H 1 2.62 0.02 . 1 . . . . . . . . 4964 1 182 . 1 1 15 15 GLN NE2 N 15 115.6 0.2 . 1 . . . . . . . . 4964 1 183 . 1 1 15 15 GLN HE21 H 1 7.41 0.02 . 1 . . . . . . . . 4964 1 184 . 1 1 15 15 GLN HE22 H 1 7.03 0.02 . 1 . . . . . . . . 4964 1 185 . 1 1 15 15 GLN C C 13 175.9 0.2 . 1 . . . . . . . . 4964 1 186 . 1 1 16 16 THR N N 15 117.7 0.2 . 1 . . . . . . . . 4964 1 187 . 1 1 16 16 THR H H 1 7.61 0.02 . 1 . . . . . . . . 4964 1 188 . 1 1 16 16 THR CA C 13 65.0 0.2 . 1 . . . . . . . . 4964 1 189 . 1 1 16 16 THR HA H 1 3.57 0.02 . 1 . . . . . . . . 4964 1 190 . 1 1 16 16 THR CB C 13 68.7 0.2 . 1 . . . . . . . . 4964 1 191 . 1 1 16 16 THR HB H 1 3.37 0.02 . 1 . . . . . . . . 4964 1 192 . 1 1 16 16 THR HG21 H 1 0.12 0.02 . 1 . . . . . . . . 4964 1 193 . 1 1 16 16 THR HG22 H 1 0.12 0.02 . 1 . . . . . . . . 4964 1 194 . 1 1 16 16 THR HG23 H 1 0.12 0.02 . 1 . . . . . . . . 4964 1 195 . 1 1 16 16 THR HG1 H 1 5.17 0.02 . 1 . . . . . . . . 4964 1 196 . 1 1 16 16 THR CG2 C 13 19.1 0.2 . 1 . . . . . . . . 4964 1 197 . 1 1 16 16 THR C C 13 174.5 0.2 . 1 . . . . . . . . 4964 1 198 . 1 1 17 17 TYR N N 15 120.7 0.2 . 1 . . . . . . . . 4964 1 199 . 1 1 17 17 TYR H H 1 8.45 0.02 . 1 . . . . . . . . 4964 1 200 . 1 1 17 17 TYR CA C 13 58.0 0.2 . 1 . . . . . . . . 4964 1 201 . 1 1 17 17 TYR HA H 1 4.25 0.02 . 1 . . . . . . . . 4964 1 202 . 1 1 17 17 TYR CB C 13 37.9 0.2 . 1 . . . . . . . . 4964 1 203 . 1 1 17 17 TYR HB2 H 1 2.21 0.02 . 1 . . . . . . . . 4964 1 204 . 1 1 17 17 TYR HB3 H 1 2.84 0.02 . 1 . . . . . . . . 4964 1 205 . 1 1 17 17 TYR HD1 H 1 6.26 0.02 . 1 . . . . . . . . 4964 1 206 . 1 1 17 17 TYR HD2 H 1 6.26 0.02 . 1 . . . . . . . . 4964 1 207 . 1 1 17 17 TYR HE1 H 1 6.56 0.02 . 1 . . . . . . . . 4964 1 208 . 1 1 17 17 TYR HE2 H 1 6.56 0.02 . 1 . . . . . . . . 4964 1 209 . 1 1 17 17 TYR CD1 C 13 132.1 0.2 . 1 . . . . . . . . 4964 1 210 . 1 1 17 17 TYR CD2 C 13 132.1 0.2 . 1 . . . . . . . . 4964 1 211 . 1 1 17 17 TYR CE1 C 13 117.4 0.2 . 1 . . . . . . . . 4964 1 212 . 1 1 17 17 TYR CE2 C 13 117.4 0.2 . 1 . . . . . . . . 4964 1 213 . 1 1 17 17 TYR C C 13 175.0 0.2 . 1 . . . . . . . . 4964 1 214 . 1 1 18 18 HIS N N 15 118.8 0.2 . 1 . . . . . . . . 4964 1 215 . 1 1 18 18 HIS H H 1 8.08 0.02 . 1 . . . . . . . . 4964 1 216 . 1 1 18 18 HIS CA C 13 54.2 0.2 . 1 . . . . . . . . 4964 1 217 . 1 1 18 18 HIS HA H 1 3.60 0.02 . 1 . . . . . . . . 4964 1 218 . 1 1 18 18 HIS CB C 13 24.4 0.2 . 1 . . . . . . . . 4964 1 219 . 1 1 18 18 HIS HB2 H 1 3.19 0.02 . 1 . . . . . . . . 4964 1 220 . 1 1 18 18 HIS HB3 H 1 3.13 0.02 . 1 . . . . . . . . 4964 1 221 . 1 1 18 18 HIS CD2 C 13 116.6 0.2 . 1 . . . . . . . . 4964 1 222 . 1 1 18 18 HIS CE1 C 13 134.7 0.2 . 1 . . . . . . . . 4964 1 223 . 1 1 18 18 HIS HD2 H 1 6.12 0.02 . 1 . . . . . . . . 4964 1 224 . 1 1 18 18 HIS HE1 H 1 8.11 0.02 . 1 . . . . . . . . 4964 1 225 . 1 1 18 18 HIS C C 13 172.1 0.2 . 1 . . . . . . . . 4964 1 226 . 1 1 19 19 LYS N N 15 114.9 0.2 . 1 . . . . . . . . 4964 1 227 . 1 1 19 19 LYS H H 1 7.45 0.02 . 1 . . . . . . . . 4964 1 228 . 1 1 19 19 LYS CA C 13 54.2 0.2 . 1 . . . . . . . . 4964 1 229 . 1 1 19 19 LYS HA H 1 4.54 0.02 . 1 . . . . . . . . 4964 1 230 . 1 1 19 19 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 4964 1 231 . 1 1 19 19 LYS HB2 H 1 1.96 0.02 . 1 . . . . . . . . 4964 1 232 . 1 1 19 19 LYS HB3 H 1 2.17 0.02 . 1 . . . . . . . . 4964 1 233 . 1 1 19 19 LYS CG C 13 21.1 0.2 . 1 . . . . . . . . 4964 1 234 . 1 1 19 19 LYS HG2 H 1 1.29 0.02 . 1 . . . . . . . . 4964 1 235 . 1 1 19 19 LYS HG3 H 1 1.35 0.02 . 1 . . . . . . . . 4964 1 236 . 1 1 19 19 LYS CD C 13 28.6 0.2 . 1 . . . . . . . . 4964 1 237 . 1 1 19 19 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 4964 1 238 . 1 1 19 19 LYS HD3 H 1 1.74 0.02 . 1 . . . . . . . . 4964 1 239 . 1 1 19 19 LYS CE C 13 41.1 0.2 . 1 . . . . . . . . 4964 1 240 . 1 1 19 19 LYS HE2 H 1 3.08 0.02 . 1 . . . . . . . . 4964 1 241 . 1 1 19 19 LYS HE3 H 1 3.08 0.02 . 1 . . . . . . . . 4964 1 242 . 1 1 19 19 LYS C C 13 173.1 0.2 . 1 . . . . . . . . 4964 1 243 . 1 1 20 20 LEU N N 15 121.7 0.2 . 1 . . . . . . . . 4964 1 244 . 1 1 20 20 LEU H H 1 8.34 0.02 . 1 . . . . . . . . 4964 1 245 . 1 1 20 20 LEU CA C 13 52.5 0.2 . 1 . . . . . . . . 4964 1 246 . 1 1 20 20 LEU HA H 1 4.29 0.02 . 1 . . . . . . . . 4964 1 247 . 1 1 20 20 LEU CB C 13 40.4 0.2 . 1 . . . . . . . . 4964 1 248 . 1 1 20 20 LEU HB2 H 1 1.69 0.02 . 1 . . . . . . . . 4964 1 249 . 1 1 20 20 LEU HB3 H 1 1.31 0.02 . 1 . . . . . . . . 4964 1 250 . 1 1 20 20 LEU CG C 13 25.9 0.2 . 1 . . . . . . . . 4964 1 251 . 1 1 20 20 LEU HG H 1 1.50 0.02 . 1 . . . . . . . . 4964 1 252 . 1 1 20 20 LEU HD11 H 1 0.60 0.02 . 1 . . . . . . . . 4964 1 253 . 1 1 20 20 LEU HD12 H 1 0.60 0.02 . 1 . . . . . . . . 4964 1 254 . 1 1 20 20 LEU HD13 H 1 0.60 0.02 . 1 . . . . . . . . 4964 1 255 . 1 1 20 20 LEU HD21 H 1 0.11 0.02 . 1 . . . . . . . . 4964 1 256 . 1 1 20 20 LEU HD22 H 1 0.11 0.02 . 1 . . . . . . . . 4964 1 257 . 1 1 20 20 LEU HD23 H 1 0.11 0.02 . 1 . . . . . . . . 4964 1 258 . 1 1 20 20 LEU CD1 C 13 24.8 0.2 . 1 . . . . . . . . 4964 1 259 . 1 1 20 20 LEU CD2 C 13 21.7 0.2 . 1 . . . . . . . . 4964 1 260 . 1 1 21 21 PRO CD C 13 48.6 0.2 . 1 . . . . . . . . 4964 1 261 . 1 1 21 21 PRO CA C 13 62.0 0.2 . 1 . . . . . . . . 4964 1 262 . 1 1 21 21 PRO HA H 1 3.98 0.02 . 1 . . . . . . . . 4964 1 263 . 1 1 21 21 PRO CB C 13 30.8 0.2 . 1 . . . . . . . . 4964 1 264 . 1 1 21 21 PRO HB2 H 1 1.35 0.02 . 1 . . . . . . . . 4964 1 265 . 1 1 21 21 PRO HB3 H 1 2.15 0.02 . 1 . . . . . . . . 4964 1 266 . 1 1 21 21 PRO CG C 13 25.7 0.2 . 1 . . . . . . . . 4964 1 267 . 1 1 21 21 PRO HG2 H 1 2.23 0.02 . 1 . . . . . . . . 4964 1 268 . 1 1 21 21 PRO HG3 H 1 1.25 0.02 . 1 . . . . . . . . 4964 1 269 . 1 1 21 21 PRO HD2 H 1 3.53 0.02 . 1 . . . . . . . . 4964 1 270 . 1 1 21 21 PRO HD3 H 1 3.34 0.02 . 1 . . . . . . . . 4964 1 271 . 1 1 21 21 PRO C C 13 175.9 0.2 . 1 . . . . . . . . 4964 1 272 . 1 1 22 22 ASP N N 15 122.2 0.2 . 1 . . . . . . . . 4964 1 273 . 1 1 22 22 ASP H H 1 8.51 0.02 . 1 . . . . . . . . 4964 1 274 . 1 1 22 22 ASP CA C 13 55.9 0.2 . 1 . . . . . . . . 4964 1 275 . 1 1 22 22 ASP HA H 1 4.46 0.02 . 1 . . . . . . . . 4964 1 276 . 1 1 22 22 ASP CB C 13 39.7 0.2 . 1 . . . . . . . . 4964 1 277 . 1 1 22 22 ASP HB2 H 1 2.74 0.02 . 1 . . . . . . . . 4964 1 278 . 1 1 22 22 ASP HB3 H 1 2.79 0.02 . 1 . . . . . . . . 4964 1 279 . 1 1 22 22 ASP C C 13 175.0 0.2 . 1 . . . . . . . . 4964 1 280 . 1 1 23 23 ASN N N 15 116.2 0.2 . 1 . . . . . . . . 4964 1 281 . 1 1 23 23 ASN H H 1 8.44 0.02 . 1 . . . . . . . . 4964 1 282 . 1 1 23 23 ASN CA C 13 53.1 0.2 . 1 . . . . . . . . 4964 1 283 . 1 1 23 23 ASN HA H 1 4.53 0.02 . 1 . . . . . . . . 4964 1 284 . 1 1 23 23 ASN CB C 13 35.7 0.2 . 1 . . . . . . . . 4964 1 285 . 1 1 23 23 ASN HB2 H 1 3.17 0.02 . 1 . . . . . . . . 4964 1 286 . 1 1 23 23 ASN HB3 H 1 2.43 0.02 . 1 . . . . . . . . 4964 1 287 . 1 1 23 23 ASN ND2 N 15 118.9 0.2 . 1 . . . . . . . . 4964 1 288 . 1 1 23 23 ASN HD21 H 1 7.10 0.02 . 1 . . . . . . . . 4964 1 289 . 1 1 23 23 ASN HD22 H 1 6.45 0.02 . 1 . . . . . . . . 4964 1 290 . 1 1 23 23 ASN C C 13 171.6 0.2 . 1 . . . . . . . . 4964 1 291 . 1 1 24 24 TYR N N 15 123.3 0.2 . 1 . . . . . . . . 4964 1 292 . 1 1 24 24 TYR H H 1 7.33 0.02 . 1 . . . . . . . . 4964 1 293 . 1 1 24 24 TYR CA C 13 58.3 0.2 . 1 . . . . . . . . 4964 1 294 . 1 1 24 24 TYR HA H 1 5.36 0.02 . 1 . . . . . . . . 4964 1 295 . 1 1 24 24 TYR CB C 13 40.4 0.2 . 1 . . . . . . . . 4964 1 296 . 1 1 24 24 TYR HB2 H 1 2.72 0.02 . 1 . . . . . . . . 4964 1 297 . 1 1 24 24 TYR HB3 H 1 2.59 0.02 . 1 . . . . . . . . 4964 1 298 . 1 1 24 24 TYR HD1 H 1 6.83 0.02 . 1 . . . . . . . . 4964 1 299 . 1 1 24 24 TYR HD2 H 1 6.83 0.02 . 1 . . . . . . . . 4964 1 300 . 1 1 24 24 TYR HE1 H 1 7.21 0.02 . 1 . . . . . . . . 4964 1 301 . 1 1 24 24 TYR HE2 H 1 7.21 0.02 . 1 . . . . . . . . 4964 1 302 . 1 1 24 24 TYR CD1 C 13 131.7 0.2 . 1 . . . . . . . . 4964 1 303 . 1 1 24 24 TYR CD2 C 13 131.7 0.2 . 1 . . . . . . . . 4964 1 304 . 1 1 24 24 TYR CE1 C 13 117.6 0.2 . 1 . . . . . . . . 4964 1 305 . 1 1 24 24 TYR CE2 C 13 117.6 0.2 . 1 . . . . . . . . 4964 1 306 . 1 1 24 24 TYR C C 13 175.5 0.2 . 1 . . . . . . . . 4964 1 307 . 1 1 25 25 ILE N N 15 122.5 0.2 . 1 . . . . . . . . 4964 1 308 . 1 1 25 25 ILE H H 1 9.04 0.02 . 1 . . . . . . . . 4964 1 309 . 1 1 25 25 ILE CA C 13 58.6 0.2 . 1 . . . . . . . . 4964 1 310 . 1 1 25 25 ILE HA H 1 4.86 0.02 . 1 . . . . . . . . 4964 1 311 . 1 1 25 25 ILE CB C 13 41.0 0.2 . 1 . . . . . . . . 4964 1 312 . 1 1 25 25 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 4964 1 313 . 1 1 25 25 ILE HG21 H 1 0.75 0.02 . 1 . . . . . . . . 4964 1 314 . 1 1 25 25 ILE HG22 H 1 0.75 0.02 . 1 . . . . . . . . 4964 1 315 . 1 1 25 25 ILE HG23 H 1 0.75 0.02 . 1 . . . . . . . . 4964 1 316 . 1 1 25 25 ILE CG2 C 13 16.7 0.2 . 1 . . . . . . . . 4964 1 317 . 1 1 25 25 ILE CG1 C 13 24.2 0.2 . 1 . . . . . . . . 4964 1 318 . 1 1 25 25 ILE HG12 H 1 0.90 0.02 . 1 . . . . . . . . 4964 1 319 . 1 1 25 25 ILE HG13 H 1 1.39 0.02 . 1 . . . . . . . . 4964 1 320 . 1 1 25 25 ILE HD11 H 1 0.47 0.02 . 1 . . . . . . . . 4964 1 321 . 1 1 25 25 ILE HD12 H 1 0.47 0.02 . 1 . . . . . . . . 4964 1 322 . 1 1 25 25 ILE HD13 H 1 0.47 0.02 . 1 . . . . . . . . 4964 1 323 . 1 1 25 25 ILE CD1 C 13 12.9 0.2 . 1 . . . . . . . . 4964 1 324 . 1 1 25 25 ILE C C 13 173.5 0.2 . 1 . . . . . . . . 4964 1 325 . 1 1 26 26 THR N N 15 117.1 0.2 . 1 . . . . . . . . 4964 1 326 . 1 1 26 26 THR H H 1 8.54 0.02 . 1 . . . . . . . . 4964 1 327 . 1 1 26 26 THR CA C 13 61.2 0.2 . 1 . . . . . . . . 4964 1 328 . 1 1 26 26 THR HA H 1 4.44 0.02 . 1 . . . . . . . . 4964 1 329 . 1 1 26 26 THR CB C 13 70.9 0.2 . 1 . . . . . . . . 4964 1 330 . 1 1 26 26 THR HB H 1 5.03 0.02 . 1 . . . . . . . . 4964 1 331 . 1 1 26 26 THR HG21 H 1 1.34 0.02 . 1 . . . . . . . . 4964 1 332 . 1 1 26 26 THR HG22 H 1 1.34 0.02 . 1 . . . . . . . . 4964 1 333 . 1 1 26 26 THR HG23 H 1 1.34 0.02 . 1 . . . . . . . . 4964 1 334 . 1 1 26 26 THR CG2 C 13 20.8 0.2 . 1 . . . . . . . . 4964 1 335 . 1 1 26 26 THR C C 13 175.8 0.2 . 1 . . . . . . . . 4964 1 336 . 1 1 27 27 LYS N N 15 125.3 0.2 . 1 . . . . . . . . 4964 1 337 . 1 1 27 27 LYS H H 1 10.24 0.02 . 1 . . . . . . . . 4964 1 338 . 1 1 27 27 LYS CA C 13 61.0 0.2 . 1 . . . . . . . . 4964 1 339 . 1 1 27 27 LYS HA H 1 3.92 0.02 . 1 . . . . . . . . 4964 1 340 . 1 1 27 27 LYS CB C 13 31.5 0.2 . 1 . . . . . . . . 4964 1 341 . 1 1 27 27 LYS HB2 H 1 2.04 0.02 . 1 . . . . . . . . 4964 1 342 . 1 1 27 27 LYS HB3 H 1 2.04 0.02 . 1 . . . . . . . . 4964 1 343 . 1 1 27 27 LYS CG C 13 26.7 0.2 . 1 . . . . . . . . 4964 1 344 . 1 1 27 27 LYS HG2 H 1 1.54 0.02 . 1 . . . . . . . . 4964 1 345 . 1 1 27 27 LYS HG3 H 1 1.83 0.02 . 1 . . . . . . . . 4964 1 346 . 1 1 27 27 LYS CD C 13 28.7 0.2 . 1 . . . . . . . . 4964 1 347 . 1 1 27 27 LYS HD2 H 1 1.83 0.02 . 1 . . . . . . . . 4964 1 348 . 1 1 27 27 LYS HD3 H 1 1.83 0.02 . 1 . . . . . . . . 4964 1 349 . 1 1 27 27 LYS CE C 13 41.0 0.2 . 1 . . . . . . . . 4964 1 350 . 1 1 27 27 LYS HE2 H 1 3.07 0.02 . 1 . . . . . . . . 4964 1 351 . 1 1 27 27 LYS HE3 H 1 3.07 0.02 . 1 . . . . . . . . 4964 1 352 . 1 1 27 27 LYS C C 13 179.3 0.2 . 1 . . . . . . . . 4964 1 353 . 1 1 28 28 SER N N 15 118.0 0.2 . 1 . . . . . . . . 4964 1 354 . 1 1 28 28 SER H H 1 9.17 0.02 . 1 . . . . . . . . 4964 1 355 . 1 1 28 28 SER CA C 13 61.2 0.2 . 1 . . . . . . . . 4964 1 356 . 1 1 28 28 SER HA H 1 4.38 0.02 . 1 . . . . . . . . 4964 1 357 . 1 1 28 28 SER CB C 13 62.1 0.2 . 1 . . . . . . . . 4964 1 358 . 1 1 28 28 SER HB2 H 1 4.00 0.02 . 1 . . . . . . . . 4964 1 359 . 1 1 28 28 SER HB3 H 1 3.96 0.02 . 1 . . . . . . . . 4964 1 360 . 1 1 28 28 SER C C 13 177.8 0.2 . 1 . . . . . . . . 4964 1 361 . 1 1 29 29 GLU N N 15 128.5 0.2 . 1 . . . . . . . . 4964 1 362 . 1 1 29 29 GLU H H 1 7.66 0.02 . 1 . . . . . . . . 4964 1 363 . 1 1 29 29 GLU CA C 13 58.6 0.2 . 1 . . . . . . . . 4964 1 364 . 1 1 29 29 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 4964 1 365 . 1 1 29 29 GLU CB C 13 29.2 0.2 . 1 . . . . . . . . 4964 1 366 . 1 1 29 29 GLU HB2 H 1 2.40 0.02 . 1 . . . . . . . . 4964 1 367 . 1 1 29 29 GLU HB3 H 1 1.95 0.02 . 1 . . . . . . . . 4964 1 368 . 1 1 29 29 GLU CG C 13 36.7 0.2 . 1 . . . . . . . . 4964 1 369 . 1 1 29 29 GLU HG2 H 1 2.36 0.02 . 1 . . . . . . . . 4964 1 370 . 1 1 29 29 GLU HG3 H 1 2.26 0.02 . 1 . . . . . . . . 4964 1 371 . 1 1 29 29 GLU C C 13 174.8 0.2 . 1 . . . . . . . . 4964 1 372 . 1 1 30 30 ALA N N 15 126.1 0.2 . 1 . . . . . . . . 4964 1 373 . 1 1 30 30 ALA H H 1 8.78 0.02 . 1 . . . . . . . . 4964 1 374 . 1 1 30 30 ALA CA C 13 54.9 0.2 . 1 . . . . . . . . 4964 1 375 . 1 1 30 30 ALA HA H 1 3.88 0.02 . 1 . . . . . . . . 4964 1 376 . 1 1 30 30 ALA HB1 H 1 1.18 0.02 . 1 . . . . . . . . 4964 1 377 . 1 1 30 30 ALA HB2 H 1 1.18 0.02 . 1 . . . . . . . . 4964 1 378 . 1 1 30 30 ALA HB3 H 1 1.18 0.02 . 1 . . . . . . . . 4964 1 379 . 1 1 30 30 ALA CB C 13 17.2 0.2 . 1 . . . . . . . . 4964 1 380 . 1 1 30 30 ALA C C 13 180.6 0.2 . 1 . . . . . . . . 4964 1 381 . 1 1 31 31 GLN N N 15 124.3 0.2 . 1 . . . . . . . . 4964 1 382 . 1 1 31 31 GLN H H 1 9.29 0.02 . 1 . . . . . . . . 4964 1 383 . 1 1 31 31 GLN CA C 13 59.0 0.2 . 1 . . . . . . . . 4964 1 384 . 1 1 31 31 GLN HA H 1 4.63 0.02 . 1 . . . . . . . . 4964 1 385 . 1 1 31 31 GLN CB C 13 27.8 0.2 . 1 . . . . . . . . 4964 1 386 . 1 1 31 31 GLN HB2 H 1 2.50 0.02 . 1 . . . . . . . . 4964 1 387 . 1 1 31 31 GLN HB3 H 1 2.35 0.02 . 1 . . . . . . . . 4964 1 388 . 1 1 31 31 GLN CG C 13 34.4 0.2 . 1 . . . . . . . . 4964 1 389 . 1 1 31 31 GLN HG2 H 1 2.55 0.02 . 1 . . . . . . . . 4964 1 390 . 1 1 31 31 GLN HG3 H 1 2.98 0.02 . 1 . . . . . . . . 4964 1 391 . 1 1 31 31 GLN NE2 N 15 114.5 0.2 . 1 . . . . . . . . 4964 1 392 . 1 1 31 31 GLN HE21 H 1 7.28 0.02 . 1 . . . . . . . . 4964 1 393 . 1 1 31 31 GLN HE22 H 1 6.89 0.02 . 1 . . . . . . . . 4964 1 394 . 1 1 31 31 GLN C C 13 180.0 0.2 . 1 . . . . . . . . 4964 1 395 . 1 1 32 32 ALA N N 15 127.6 0.2 . 1 . . . . . . . . 4964 1 396 . 1 1 32 32 ALA H H 1 7.94 0.02 . 1 . . . . . . . . 4964 1 397 . 1 1 32 32 ALA CA C 13 54.1 0.2 . 1 . . . . . . . . 4964 1 398 . 1 1 32 32 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 4964 1 399 . 1 1 32 32 ALA HB1 H 1 1.63 0.02 . 1 . . . . . . . . 4964 1 400 . 1 1 32 32 ALA HB2 H 1 1.63 0.02 . 1 . . . . . . . . 4964 1 401 . 1 1 32 32 ALA HB3 H 1 1.63 0.02 . 1 . . . . . . . . 4964 1 402 . 1 1 32 32 ALA CB C 13 16.9 0.2 . 1 . . . . . . . . 4964 1 403 . 1 1 32 32 ALA C C 13 178.6 0.2 . 1 . . . . . . . . 4964 1 404 . 1 1 33 33 LEU N N 15 120.7 0.2 . 1 . . . . . . . . 4964 1 405 . 1 1 33 33 LEU H H 1 7.38 0.02 . 1 . . . . . . . . 4964 1 406 . 1 1 33 33 LEU CA C 13 54.6 0.2 . 1 . . . . . . . . 4964 1 407 . 1 1 33 33 LEU HA H 1 4.42 0.02 . 1 . . . . . . . . 4964 1 408 . 1 1 33 33 LEU CB C 13 41.5 0.2 . 1 . . . . . . . . 4964 1 409 . 1 1 33 33 LEU HB2 H 1 1.94 0.02 . 1 . . . . . . . . 4964 1 410 . 1 1 33 33 LEU HB3 H 1 1.65 0.02 . 1 . . . . . . . . 4964 1 411 . 1 1 33 33 LEU CG C 13 25.3 0.2 . 1 . . . . . . . . 4964 1 412 . 1 1 33 33 LEU HG H 1 1.90 0.02 . 1 . . . . . . . . 4964 1 413 . 1 1 33 33 LEU HD11 H 1 0.85 0.02 . 1 . . . . . . . . 4964 1 414 . 1 1 33 33 LEU HD12 H 1 0.85 0.02 . 1 . . . . . . . . 4964 1 415 . 1 1 33 33 LEU HD13 H 1 0.85 0.02 . 1 . . . . . . . . 4964 1 416 . 1 1 33 33 LEU HD21 H 1 0.93 0.02 . 1 . . . . . . . . 4964 1 417 . 1 1 33 33 LEU HD22 H 1 0.93 0.02 . 1 . . . . . . . . 4964 1 418 . 1 1 33 33 LEU HD23 H 1 0.93 0.02 . 1 . . . . . . . . 4964 1 419 . 1 1 33 33 LEU CD1 C 13 25.1 0.2 . 1 . . . . . . . . 4964 1 420 . 1 1 33 33 LEU CD2 C 13 21.4 0.2 . 1 . . . . . . . . 4964 1 421 . 1 1 33 33 LEU C C 13 176.3 0.2 . 1 . . . . . . . . 4964 1 422 . 1 1 34 34 GLY N N 15 107.9 0.2 . 1 . . . . . . . . 4964 1 423 . 1 1 34 34 GLY H H 1 7.78 0.02 . 1 . . . . . . . . 4964 1 424 . 1 1 34 34 GLY CA C 13 43.7 0.2 . 1 . . . . . . . . 4964 1 425 . 1 1 34 34 GLY HA2 H 1 3.75 0.02 . 1 . . . . . . . . 4964 1 426 . 1 1 34 34 GLY HA3 H 1 4.55 0.02 . 1 . . . . . . . . 4964 1 427 . 1 1 34 34 GLY C C 13 174.6 0.2 . 1 . . . . . . . . 4964 1 428 . 1 1 35 35 TRP N N 15 127.2 0.2 . 1 . . . . . . . . 4964 1 429 . 1 1 35 35 TRP H H 1 8.31 0.02 . 1 . . . . . . . . 4964 1 430 . 1 1 35 35 TRP CA C 13 56.8 0.2 . 1 . . . . . . . . 4964 1 431 . 1 1 35 35 TRP HA H 1 4.63 0.02 . 1 . . . . . . . . 4964 1 432 . 1 1 35 35 TRP CB C 13 27.8 0.2 . 1 . . . . . . . . 4964 1 433 . 1 1 35 35 TRP HB2 H 1 2.64 0.02 . 1 . . . . . . . . 4964 1 434 . 1 1 35 35 TRP HB3 H 1 2.85 0.02 . 1 . . . . . . . . 4964 1 435 . 1 1 35 35 TRP CD1 C 13 126.7 0.2 . 1 . . . . . . . . 4964 1 436 . 1 1 35 35 TRP CE3 C 13 120.4 0.2 . 1 . . . . . . . . 4964 1 437 . 1 1 35 35 TRP CE2 C 13 137.7 0.2 . 1 . . . . . . . . 4964 1 438 . 1 1 35 35 TRP NE1 N 15 132.4 0.2 . 1 . . . . . . . . 4964 1 439 . 1 1 35 35 TRP HD1 H 1 7.16 0.02 . 1 . . . . . . . . 4964 1 440 . 1 1 35 35 TRP HE3 H 1 7.42 0.02 . 1 . . . . . . . . 4964 1 441 . 1 1 35 35 TRP CZ3 C 13 119.9 0.2 . 1 . . . . . . . . 4964 1 442 . 1 1 35 35 TRP CZ2 C 13 113.2 0.2 . 1 . . . . . . . . 4964 1 443 . 1 1 35 35 TRP HE1 H 1 9.82 0.02 . 1 . . . . . . . . 4964 1 444 . 1 1 35 35 TRP HZ3 H 1 7.11 0.02 . 1 . . . . . . . . 4964 1 445 . 1 1 35 35 TRP CH2 C 13 123.6 0.2 . 1 . . . . . . . . 4964 1 446 . 1 1 35 35 TRP HZ2 H 1 7.43 0.02 . 1 . . . . . . . . 4964 1 447 . 1 1 35 35 TRP HH2 H 1 7.23 0.02 . 1 . . . . . . . . 4964 1 448 . 1 1 35 35 TRP C C 13 174.8 0.2 . 1 . . . . . . . . 4964 1 449 . 1 1 36 36 VAL N N 15 137.2 0.2 . 1 . . . . . . . . 4964 1 450 . 1 1 36 36 VAL H H 1 8.75 0.02 . 1 . . . . . . . . 4964 1 451 . 1 1 36 36 VAL CA C 13 60.5 0.2 . 1 . . . . . . . . 4964 1 452 . 1 1 36 36 VAL HA H 1 3.62 0.02 . 1 . . . . . . . . 4964 1 453 . 1 1 36 36 VAL CB C 13 33.3 0.2 . 1 . . . . . . . . 4964 1 454 . 1 1 36 36 VAL HB H 1 1.58 0.02 . 1 . . . . . . . . 4964 1 455 . 1 1 36 36 VAL HG11 H 1 0.82 0.02 . 1 . . . . . . . . 4964 1 456 . 1 1 36 36 VAL HG12 H 1 0.82 0.02 . 1 . . . . . . . . 4964 1 457 . 1 1 36 36 VAL HG13 H 1 0.82 0.02 . 1 . . . . . . . . 4964 1 458 . 1 1 36 36 VAL HG21 H 1 0.85 0.02 . 1 . . . . . . . . 4964 1 459 . 1 1 36 36 VAL HG22 H 1 0.85 0.02 . 1 . . . . . . . . 4964 1 460 . 1 1 36 36 VAL HG23 H 1 0.85 0.02 . 1 . . . . . . . . 4964 1 461 . 1 1 36 36 VAL CG1 C 13 20.0 0.2 . 1 . . . . . . . . 4964 1 462 . 1 1 36 36 VAL CG2 C 13 19.5 0.2 . 1 . . . . . . . . 4964 1 463 . 1 1 36 36 VAL C C 13 175.7 0.2 . 1 . . . . . . . . 4964 1 464 . 1 1 37 37 ALA N N 15 134.4 0.2 . 1 . . . . . . . . 4964 1 465 . 1 1 37 37 ALA H H 1 7.96 0.02 . 1 . . . . . . . . 4964 1 466 . 1 1 37 37 ALA CA C 13 55.1 0.2 . 1 . . . . . . . . 4964 1 467 . 1 1 37 37 ALA HA H 1 3.75 0.02 . 1 . . . . . . . . 4964 1 468 . 1 1 37 37 ALA HB1 H 1 1.19 0.02 . 1 . . . . . . . . 4964 1 469 . 1 1 37 37 ALA HB2 H 1 1.19 0.02 . 1 . . . . . . . . 4964 1 470 . 1 1 37 37 ALA HB3 H 1 1.19 0.02 . 1 . . . . . . . . 4964 1 471 . 1 1 37 37 ALA CB C 13 17.2 0.2 . 1 . . . . . . . . 4964 1 472 . 1 1 38 38 SER CA C 13 59.7 0.2 . 1 . . . . . . . . 4964 1 473 . 1 1 38 38 SER HA H 1 3.88 0.02 . 1 . . . . . . . . 4964 1 474 . 1 1 38 38 SER CB C 13 62.2 0.2 . 1 . . . . . . . . 4964 1 475 . 1 1 38 38 SER HB2 H 1 3.68 0.02 . 1 . . . . . . . . 4964 1 476 . 1 1 38 38 SER HB3 H 1 3.73 0.02 . 1 . . . . . . . . 4964 1 477 . 1 1 38 38 SER C C 13 174.8 0.2 . 1 . . . . . . . . 4964 1 478 . 1 1 39 39 LYS N N 15 123.4 0.2 . 1 . . . . . . . . 4964 1 479 . 1 1 39 39 LYS H H 1 7.78 0.02 . 1 . . . . . . . . 4964 1 480 . 1 1 39 39 LYS CA C 13 55.4 0.2 . 1 . . . . . . . . 4964 1 481 . 1 1 39 39 LYS HA H 1 4.52 0.02 . 1 . . . . . . . . 4964 1 482 . 1 1 39 39 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 4964 1 483 . 1 1 39 39 LYS HB2 H 1 1.71 0.02 . 1 . . . . . . . . 4964 1 484 . 1 1 39 39 LYS HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4964 1 485 . 1 1 39 39 LYS CG C 13 24.5 0.2 . 1 . . . . . . . . 4964 1 486 . 1 1 39 39 LYS HG2 H 1 1.38 0.02 . 1 . . . . . . . . 4964 1 487 . 1 1 39 39 LYS HG3 H 1 1.38 0.02 . 1 . . . . . . . . 4964 1 488 . 1 1 39 39 LYS CD C 13 27.9 0.2 . 1 . . . . . . . . 4964 1 489 . 1 1 39 39 LYS HD2 H 1 1.58 0.02 . 1 . . . . . . . . 4964 1 490 . 1 1 39 39 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 4964 1 491 . 1 1 39 39 LYS CE C 13 41.1 0.2 . 1 . . . . . . . . 4964 1 492 . 1 1 39 39 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 4964 1 493 . 1 1 39 39 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 4964 1 494 . 1 1 39 39 LYS C C 13 177.6 0.2 . 1 . . . . . . . . 4964 1 495 . 1 1 40 40 GLY N N 15 111.6 0.2 . 1 . . . . . . . . 4964 1 496 . 1 1 40 40 GLY H H 1 7.62 0.02 . 1 . . . . . . . . 4964 1 497 . 1 1 40 40 GLY CA C 13 46.3 0.2 . 1 . . . . . . . . 4964 1 498 . 1 1 40 40 GLY HA2 H 1 3.62 0.02 . 1 . . . . . . . . 4964 1 499 . 1 1 40 40 GLY HA3 H 1 2.44 0.02 . 1 . . . . . . . . 4964 1 500 . 1 1 40 40 GLY C C 13 175.5 0.2 . 1 . . . . . . . . 4964 1 501 . 1 1 41 41 ASN N N 15 118.1 0.2 . 1 . . . . . . . . 4964 1 502 . 1 1 41 41 ASN H H 1 7.48 0.02 . 1 . . . . . . . . 4964 1 503 . 1 1 41 41 ASN CA C 13 52.8 0.2 . 1 . . . . . . . . 4964 1 504 . 1 1 41 41 ASN HA H 1 4.88 0.02 . 1 . . . . . . . . 4964 1 505 . 1 1 41 41 ASN CB C 13 38.5 0.2 . 1 . . . . . . . . 4964 1 506 . 1 1 41 41 ASN HB2 H 1 3.51 0.02 . 1 . . . . . . . . 4964 1 507 . 1 1 41 41 ASN HB3 H 1 2.40 0.02 . 1 . . . . . . . . 4964 1 508 . 1 1 41 41 ASN ND2 N 15 112.8 0.2 . 1 . . . . . . . . 4964 1 509 . 1 1 41 41 ASN HD21 H 1 8.07 0.02 . 1 . . . . . . . . 4964 1 510 . 1 1 41 41 ASN HD22 H 1 6.69 0.02 . 1 . . . . . . . . 4964 1 511 . 1 1 41 41 ASN C C 13 177.1 0.2 . 1 . . . . . . . . 4964 1 512 . 1 1 42 42 LEU N N 15 126.3 0.2 . 1 . . . . . . . . 4964 1 513 . 1 1 42 42 LEU H H 1 7.96 0.02 . 1 . . . . . . . . 4964 1 514 . 1 1 42 42 LEU CA C 13 58.5 0.2 . 1 . . . . . . . . 4964 1 515 . 1 1 42 42 LEU HA H 1 3.83 0.02 . 1 . . . . . . . . 4964 1 516 . 1 1 42 42 LEU CB C 13 39.1 0.2 . 1 . . . . . . . . 4964 1 517 . 1 1 42 42 LEU HB2 H 1 0.88 0.02 . 1 . . . . . . . . 4964 1 518 . 1 1 42 42 LEU HB3 H 1 2.14 0.02 . 1 . . . . . . . . 4964 1 519 . 1 1 42 42 LEU CG C 13 24.7 0.2 . 1 . . . . . . . . 4964 1 520 . 1 1 42 42 LEU HG H 1 1.41 0.02 . 1 . . . . . . . . 4964 1 521 . 1 1 42 42 LEU HD11 H 1 0.09 0.02 . 1 . . . . . . . . 4964 1 522 . 1 1 42 42 LEU HD12 H 1 0.09 0.02 . 1 . . . . . . . . 4964 1 523 . 1 1 42 42 LEU HD13 H 1 0.09 0.02 . 1 . . . . . . . . 4964 1 524 . 1 1 42 42 LEU HD21 H 1 0.16 0.02 . 1 . . . . . . . . 4964 1 525 . 1 1 42 42 LEU HD22 H 1 0.16 0.02 . 1 . . . . . . . . 4964 1 526 . 1 1 42 42 LEU HD23 H 1 0.16 0.02 . 1 . . . . . . . . 4964 1 527 . 1 1 42 42 LEU CD1 C 13 25.9 0.2 . 1 . . . . . . . . 4964 1 528 . 1 1 42 42 LEU CD2 C 13 21.8 0.2 . 1 . . . . . . . . 4964 1 529 . 1 1 42 42 LEU C C 13 176.3 0.2 . 1 . . . . . . . . 4964 1 530 . 1 1 43 43 ALA N N 15 120.9 0.2 . 1 . . . . . . . . 4964 1 531 . 1 1 43 43 ALA H H 1 8.14 0.02 . 1 . . . . . . . . 4964 1 532 . 1 1 43 43 ALA CA C 13 53.2 0.2 . 1 . . . . . . . . 4964 1 533 . 1 1 43 43 ALA HA H 1 4.18 0.02 . 1 . . . . . . . . 4964 1 534 . 1 1 43 43 ALA HB1 H 1 1.57 0.02 . 1 . . . . . . . . 4964 1 535 . 1 1 43 43 ALA HB2 H 1 1.57 0.02 . 1 . . . . . . . . 4964 1 536 . 1 1 43 43 ALA HB3 H 1 1.57 0.02 . 1 . . . . . . . . 4964 1 537 . 1 1 43 43 ALA CB C 13 17.5 0.2 . 1 . . . . . . . . 4964 1 538 . 1 1 43 43 ALA C C 13 177.8 0.2 . 1 . . . . . . . . 4964 1 539 . 1 1 44 44 ASP N N 15 118.5 0.2 . 1 . . . . . . . . 4964 1 540 . 1 1 44 44 ASP H H 1 7.26 0.02 . 1 . . . . . . . . 4964 1 541 . 1 1 44 44 ASP CA C 13 55.6 0.2 . 1 . . . . . . . . 4964 1 542 . 1 1 44 44 ASP HA H 1 4.53 0.02 . 1 . . . . . . . . 4964 1 543 . 1 1 44 44 ASP CB C 13 40.7 0.2 . 1 . . . . . . . . 4964 1 544 . 1 1 44 44 ASP HB2 H 1 2.78 0.02 . 1 . . . . . . . . 4964 1 545 . 1 1 44 44 ASP HB3 H 1 2.81 0.02 . 1 . . . . . . . . 4964 1 546 . 1 1 44 44 ASP C C 13 177.4 0.2 . 1 . . . . . . . . 4964 1 547 . 1 1 45 45 VAL N N 15 114.2 0.2 . 1 . . . . . . . . 4964 1 548 . 1 1 45 45 VAL H H 1 7.24 0.02 . 1 . . . . . . . . 4964 1 549 . 1 1 45 45 VAL CA C 13 60.9 0.2 . 1 . . . . . . . . 4964 1 550 . 1 1 45 45 VAL HA H 1 4.45 0.02 . 1 . . . . . . . . 4964 1 551 . 1 1 45 45 VAL CB C 13 31.0 0.2 . 1 . . . . . . . . 4964 1 552 . 1 1 45 45 VAL HB H 1 2.41 0.02 . 1 . . . . . . . . 4964 1 553 . 1 1 45 45 VAL HG11 H 1 0.86 0.02 . 1 . . . . . . . . 4964 1 554 . 1 1 45 45 VAL HG12 H 1 0.86 0.02 . 1 . . . . . . . . 4964 1 555 . 1 1 45 45 VAL HG13 H 1 0.86 0.02 . 1 . . . . . . . . 4964 1 556 . 1 1 45 45 VAL HG21 H 1 0.90 0.02 . 1 . . . . . . . . 4964 1 557 . 1 1 45 45 VAL HG22 H 1 0.90 0.02 . 1 . . . . . . . . 4964 1 558 . 1 1 45 45 VAL HG23 H 1 0.90 0.02 . 1 . . . . . . . . 4964 1 559 . 1 1 45 45 VAL CG1 C 13 16.7 0.2 . 1 . . . . . . . . 4964 1 560 . 1 1 45 45 VAL CG2 C 13 20.9 0.2 . 1 . . . . . . . . 4964 1 561 . 1 1 45 45 VAL C C 13 175.2 0.2 . 1 . . . . . . . . 4964 1 562 . 1 1 46 46 ALA N N 15 129.5 0.2 . 1 . . . . . . . . 4964 1 563 . 1 1 46 46 ALA H H 1 8.44 0.02 . 1 . . . . . . . . 4964 1 564 . 1 1 46 46 ALA CA C 13 48.8 0.2 . 1 . . . . . . . . 4964 1 565 . 1 1 46 46 ALA HA H 1 4.69 0.02 . 1 . . . . . . . . 4964 1 566 . 1 1 46 46 ALA HB1 H 1 1.02 0.02 . 1 . . . . . . . . 4964 1 567 . 1 1 46 46 ALA HB2 H 1 1.02 0.02 . 1 . . . . . . . . 4964 1 568 . 1 1 46 46 ALA HB3 H 1 1.02 0.02 . 1 . . . . . . . . 4964 1 569 . 1 1 46 46 ALA CB C 13 17.2 0.2 . 1 . . . . . . . . 4964 1 570 . 1 1 47 47 PRO CD C 13 49.1 0.2 . 1 . . . . . . . . 4964 1 571 . 1 1 47 47 PRO CA C 13 63.9 0.2 . 1 . . . . . . . . 4964 1 572 . 1 1 47 47 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 4964 1 573 . 1 1 47 47 PRO CB C 13 30.5 0.2 . 1 . . . . . . . . 4964 1 574 . 1 1 47 47 PRO HB2 H 1 1.89 0.02 . 1 . . . . . . . . 4964 1 575 . 1 1 47 47 PRO HB3 H 1 2.37 0.02 . 1 . . . . . . . . 4964 1 576 . 1 1 47 47 PRO CG C 13 26.7 0.2 . 1 . . . . . . . . 4964 1 577 . 1 1 47 47 PRO HG2 H 1 2.02 0.02 . 1 . . . . . . . . 4964 1 578 . 1 1 47 47 PRO HG3 H 1 2.02 0.02 . 1 . . . . . . . . 4964 1 579 . 1 1 47 47 PRO HD2 H 1 3.47 0.02 . 1 . . . . . . . . 4964 1 580 . 1 1 47 47 PRO HD3 H 1 3.25 0.02 . 1 . . . . . . . . 4964 1 581 . 1 1 47 47 PRO C C 13 178.5 0.2 . 1 . . . . . . . . 4964 1 582 . 1 1 48 48 GLY N N 15 115.9 0.2 . 1 . . . . . . . . 4964 1 583 . 1 1 48 48 GLY H H 1 8.60 0.02 . 1 . . . . . . . . 4964 1 584 . 1 1 48 48 GLY CA C 13 44.8 0.2 . 1 . . . . . . . . 4964 1 585 . 1 1 48 48 GLY HA2 H 1 3.71 0.02 . 1 . . . . . . . . 4964 1 586 . 1 1 48 48 GLY HA3 H 1 4.07 0.02 . 1 . . . . . . . . 4964 1 587 . 1 1 48 48 GLY C C 13 174.4 0.2 . 1 . . . . . . . . 4964 1 588 . 1 1 49 49 LYS N N 15 123.6 0.2 . 1 . . . . . . . . 4964 1 589 . 1 1 49 49 LYS H H 1 7.86 0.02 . 1 . . . . . . . . 4964 1 590 . 1 1 49 49 LYS CA C 13 52.6 0.2 . 1 . . . . . . . . 4964 1 591 . 1 1 49 49 LYS HA H 1 5.15 0.02 . 1 . . . . . . . . 4964 1 592 . 1 1 49 49 LYS CB C 13 32.1 0.2 . 1 . . . . . . . . 4964 1 593 . 1 1 49 49 LYS HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4964 1 594 . 1 1 49 49 LYS HB3 H 1 1.42 0.02 . 1 . . . . . . . . 4964 1 595 . 1 1 49 49 LYS CG C 13 23.9 0.2 . 1 . . . . . . . . 4964 1 596 . 1 1 49 49 LYS HG2 H 1 1.06 0.02 . 1 . . . . . . . . 4964 1 597 . 1 1 49 49 LYS HG3 H 1 1.07 0.02 . 1 . . . . . . . . 4964 1 598 . 1 1 49 49 LYS CD C 13 27.3 0.2 . 1 . . . . . . . . 4964 1 599 . 1 1 49 49 LYS HD2 H 1 1.18 0.02 . 1 . . . . . . . . 4964 1 600 . 1 1 49 49 LYS HD3 H 1 1.39 0.02 . 1 . . . . . . . . 4964 1 601 . 1 1 49 49 LYS CE C 13 41.5 0.2 . 1 . . . . . . . . 4964 1 602 . 1 1 49 49 LYS HE2 H 1 2.88 0.02 . 1 . . . . . . . . 4964 1 603 . 1 1 49 49 LYS HE3 H 1 2.88 0.02 . 1 . . . . . . . . 4964 1 604 . 1 1 49 49 LYS C C 13 175.4 0.2 . 1 . . . . . . . . 4964 1 605 . 1 1 50 50 SER N N 15 117.6 0.2 . 1 . . . . . . . . 4964 1 606 . 1 1 50 50 SER H H 1 8.09 0.02 . 1 . . . . . . . . 4964 1 607 . 1 1 50 50 SER CA C 13 56.5 0.2 . 1 . . . . . . . . 4964 1 608 . 1 1 50 50 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 4964 1 609 . 1 1 50 50 SER CB C 13 67.2 0.2 . 1 . . . . . . . . 4964 1 610 . 1 1 50 50 SER HB2 H 1 2.75 0.02 . 1 . . . . . . . . 4964 1 611 . 1 1 50 50 SER HB3 H 1 3.49 0.02 . 1 . . . . . . . . 4964 1 612 . 1 1 50 50 SER HG H 1 5.48 0.02 . 1 . . . . . . . . 4964 1 613 . 1 1 50 50 SER C C 13 171.2 0.2 . 1 . . . . . . . . 4964 1 614 . 1 1 51 51 ILE N N 15 127.9 0.2 . 1 . . . . . . . . 4964 1 615 . 1 1 51 51 ILE H H 1 8.49 0.02 . 1 . . . . . . . . 4964 1 616 . 1 1 51 51 ILE CA C 13 57.8 0.2 . 1 . . . . . . . . 4964 1 617 . 1 1 51 51 ILE HA H 1 4.87 0.02 . 1 . . . . . . . . 4964 1 618 . 1 1 51 51 ILE CB C 13 35.7 0.2 . 1 . . . . . . . . 4964 1 619 . 1 1 51 51 ILE HB H 1 1.48 0.02 . 1 . . . . . . . . 4964 1 620 . 1 1 51 51 ILE HG21 H 1 0.79 0.02 . 1 . . . . . . . . 4964 1 621 . 1 1 51 51 ILE HG22 H 1 0.79 0.02 . 1 . . . . . . . . 4964 1 622 . 1 1 51 51 ILE HG23 H 1 0.79 0.02 . 1 . . . . . . . . 4964 1 623 . 1 1 51 51 ILE CG2 C 13 18.3 0.2 . 1 . . . . . . . . 4964 1 624 . 1 1 51 51 ILE CG1 C 13 26.7 0.2 . 1 . . . . . . . . 4964 1 625 . 1 1 51 51 ILE HG12 H 1 0.76 0.02 . 1 . . . . . . . . 4964 1 626 . 1 1 51 51 ILE HG13 H 1 0.59 0.02 . 1 . . . . . . . . 4964 1 627 . 1 1 51 51 ILE HD11 H 1 -0.47 0.02 . 1 . . . . . . . . 4964 1 628 . 1 1 51 51 ILE HD12 H 1 -0.47 0.02 . 1 . . . . . . . . 4964 1 629 . 1 1 51 51 ILE HD13 H 1 -0.47 0.02 . 1 . . . . . . . . 4964 1 630 . 1 1 51 51 ILE CD1 C 13 9.2 0.2 . 1 . . . . . . . . 4964 1 631 . 1 1 51 51 ILE C C 13 176.3 0.2 . 1 . . . . . . . . 4964 1 632 . 1 1 52 52 GLY N N 15 117.8 0.2 . 1 . . . . . . . . 4964 1 633 . 1 1 52 52 GLY H H 1 9.16 0.02 . 1 . . . . . . . . 4964 1 634 . 1 1 52 52 GLY CA C 13 46.9 0.2 . 1 . . . . . . . . 4964 1 635 . 1 1 52 52 GLY HA2 H 1 4.83 0.02 . 1 . . . . . . . . 4964 1 636 . 1 1 52 52 GLY HA3 H 1 4.07 0.02 . 1 . . . . . . . . 4964 1 637 . 1 1 52 52 GLY C C 13 171.7 0.2 . 1 . . . . . . . . 4964 1 638 . 1 1 53 53 GLY N N 15 111.2 0.2 . 1 . . . . . . . . 4964 1 639 . 1 1 53 53 GLY H H 1 9.76 0.02 . 1 . . . . . . . . 4964 1 640 . 1 1 53 53 GLY CA C 13 43.4 0.2 . 1 . . . . . . . . 4964 1 641 . 1 1 53 53 GLY HA2 H 1 3.99 0.02 . 1 . . . . . . . . 4964 1 642 . 1 1 53 53 GLY HA3 H 1 4.39 0.02 . 1 . . . . . . . . 4964 1 643 . 1 1 53 53 GLY C C 13 174.8 0.2 . 1 . . . . . . . . 4964 1 644 . 1 1 54 54 ASP N N 15 125.9 0.2 . 1 . . . . . . . . 4964 1 645 . 1 1 54 54 ASP H H 1 8.78 0.02 . 1 . . . . . . . . 4964 1 646 . 1 1 54 54 ASP CA C 13 54.6 0.2 . 1 . . . . . . . . 4964 1 647 . 1 1 54 54 ASP HA H 1 4.83 0.02 . 1 . . . . . . . . 4964 1 648 . 1 1 54 54 ASP CB C 13 41.7 0.2 . 1 . . . . . . . . 4964 1 649 . 1 1 54 54 ASP HB2 H 1 2.88 0.02 . 1 . . . . . . . . 4964 1 650 . 1 1 54 54 ASP HB3 H 1 2.75 0.02 . 1 . . . . . . . . 4964 1 651 . 1 1 54 54 ASP C C 13 174.8 0.2 . 1 . . . . . . . . 4964 1 652 . 1 1 55 55 ILE N N 15 122.5 0.2 . 1 . . . . . . . . 4964 1 653 . 1 1 55 55 ILE H H 1 8.28 0.02 . 1 . . . . . . . . 4964 1 654 . 1 1 55 55 ILE CA C 13 60.6 0.2 . 1 . . . . . . . . 4964 1 655 . 1 1 55 55 ILE HA H 1 4.28 0.02 . 1 . . . . . . . . 4964 1 656 . 1 1 55 55 ILE CB C 13 37.6 0.2 . 1 . . . . . . . . 4964 1 657 . 1 1 55 55 ILE HB H 1 1.83 0.02 . 1 . . . . . . . . 4964 1 658 . 1 1 55 55 ILE HG21 H 1 0.86 0.02 . 1 . . . . . . . . 4964 1 659 . 1 1 55 55 ILE HG22 H 1 0.86 0.02 . 1 . . . . . . . . 4964 1 660 . 1 1 55 55 ILE HG23 H 1 0.86 0.02 . 1 . . . . . . . . 4964 1 661 . 1 1 55 55 ILE CG2 C 13 16.3 0.2 . 1 . . . . . . . . 4964 1 662 . 1 1 55 55 ILE CG1 C 13 27.3 0.2 . 1 . . . . . . . . 4964 1 663 . 1 1 55 55 ILE HG12 H 1 1.74 0.02 . 1 . . . . . . . . 4964 1 664 . 1 1 55 55 ILE HG13 H 1 1.24 0.02 . 1 . . . . . . . . 4964 1 665 . 1 1 55 55 ILE HD11 H 1 0.89 0.02 . 1 . . . . . . . . 4964 1 666 . 1 1 55 55 ILE HD12 H 1 0.89 0.02 . 1 . . . . . . . . 4964 1 667 . 1 1 55 55 ILE HD13 H 1 0.89 0.02 . 1 . . . . . . . . 4964 1 668 . 1 1 55 55 ILE CD1 C 13 10.9 0.2 . 1 . . . . . . . . 4964 1 669 . 1 1 55 55 ILE C C 13 175.7 0.2 . 1 . . . . . . . . 4964 1 670 . 1 1 56 56 PHE N N 15 135.4 0.2 . 1 . . . . . . . . 4964 1 671 . 1 1 56 56 PHE H H 1 9.13 0.02 . 1 . . . . . . . . 4964 1 672 . 1 1 56 56 PHE CA C 13 55.0 0.2 . 1 . . . . . . . . 4964 1 673 . 1 1 56 56 PHE HA H 1 4.88 0.02 . 1 . . . . . . . . 4964 1 674 . 1 1 56 56 PHE CB C 13 40.3 0.2 . 1 . . . . . . . . 4964 1 675 . 1 1 56 56 PHE HB2 H 1 2.72 0.02 . 1 . . . . . . . . 4964 1 676 . 1 1 56 56 PHE HB3 H 1 2.49 0.02 . 1 . . . . . . . . 4964 1 677 . 1 1 56 56 PHE HD1 H 1 6.80 0.02 . 1 . . . . . . . . 4964 1 678 . 1 1 56 56 PHE HD2 H 1 6.80 0.02 . 1 . . . . . . . . 4964 1 679 . 1 1 56 56 PHE HE1 H 1 6.58 0.02 . 1 . . . . . . . . 4964 1 680 . 1 1 56 56 PHE HE2 H 1 6.58 0.02 . 1 . . . . . . . . 4964 1 681 . 1 1 56 56 PHE CD1 C 13 131.0 0.2 . 1 . . . . . . . . 4964 1 682 . 1 1 56 56 PHE CD2 C 13 131.0 0.2 . 1 . . . . . . . . 4964 1 683 . 1 1 56 56 PHE CE1 C 13 131.1 0.2 . 1 . . . . . . . . 4964 1 684 . 1 1 56 56 PHE CE2 C 13 131.1 0.2 . 1 . . . . . . . . 4964 1 685 . 1 1 56 56 PHE CZ C 13 127.7 0.2 . 1 . . . . . . . . 4964 1 686 . 1 1 56 56 PHE HZ H 1 7.20 0.02 . 1 . . . . . . . . 4964 1 687 . 1 1 57 57 SER CA C 13 59.7 0.2 . 1 . . . . . . . . 4964 1 688 . 1 1 57 57 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 4964 1 689 . 1 1 57 57 SER CB C 13 61.9 0.2 . 1 . . . . . . . . 4964 1 690 . 1 1 57 57 SER HB2 H 1 4.08 0.02 . 1 . . . . . . . . 4964 1 691 . 1 1 57 57 SER HB3 H 1 3.90 0.02 . 1 . . . . . . . . 4964 1 692 . 1 1 57 57 SER C C 13 174.2 0.2 . 5 . . . . . . . . 4964 1 693 . 1 1 58 58 ASN N N 15 121.0 0.2 . 5 . . . . . . . . 4964 1 694 . 1 1 58 58 ASN H H 1 6.18 0.02 . 5 . . . . . . . . 4964 1 695 . 1 1 58 58 ASN CA C 13 52.4 0.2 . 1 . . . . . . . . 4964 1 696 . 1 1 58 58 ASN HA H 1 3.92 0.02 . 1 . . . . . . . . 4964 1 697 . 1 1 58 58 ASN CB C 13 36.5 0.2 . 1 . . . . . . . . 4964 1 698 . 1 1 58 58 ASN HB2 H 1 1.65 0.02 . 1 . . . . . . . . 4964 1 699 . 1 1 58 58 ASN HB3 H 1 3.19 0.02 . 1 . . . . . . . . 4964 1 700 . 1 1 58 58 ASN ND2 N 15 115.5 0.2 . 1 . . . . . . . . 4964 1 701 . 1 1 58 58 ASN HD21 H 1 7.65 0.02 . 1 . . . . . . . . 4964 1 702 . 1 1 58 58 ASN HD22 H 1 7.03 0.02 . 1 . . . . . . . . 4964 1 703 . 1 1 59 59 ARG CA C 13 58.3 0.2 . 1 . . . . . . . . 4964 1 704 . 1 1 59 59 ARG HA H 1 3.84 0.02 . 1 . . . . . . . . 4964 1 705 . 1 1 59 59 ARG CB C 13 29.0 0.2 . 1 . . . . . . . . 4964 1 706 . 1 1 59 59 ARG HB2 H 1 1.68 0.02 . 1 . . . . . . . . 4964 1 707 . 1 1 59 59 ARG HB3 H 1 1.68 0.02 . 1 . . . . . . . . 4964 1 708 . 1 1 59 59 ARG CG C 13 25.9 0.2 . 1 . . . . . . . . 4964 1 709 . 1 1 59 59 ARG HG2 H 1 1.48 0.02 . 1 . . . . . . . . 4964 1 710 . 1 1 59 59 ARG HG3 H 1 1.48 0.02 . 1 . . . . . . . . 4964 1 711 . 1 1 59 59 ARG CD C 13 42.1 0.2 . 1 . . . . . . . . 4964 1 712 . 1 1 59 59 ARG HD2 H 1 3.12 0.02 . 1 . . . . . . . . 4964 1 713 . 1 1 59 59 ARG HD3 H 1 3.12 0.02 . 1 . . . . . . . . 4964 1 714 . 1 1 59 59 ARG C C 13 176.9 0.2 . 1 . . . . . . . . 4964 1 715 . 1 1 60 60 GLU N N 15 119.2 0.2 . 1 . . . . . . . . 4964 1 716 . 1 1 60 60 GLU H H 1 8.12 0.02 . 1 . . . . . . . . 4964 1 717 . 1 1 60 60 GLU CA C 13 56.2 0.2 . 1 . . . . . . . . 4964 1 718 . 1 1 60 60 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 4964 1 719 . 1 1 60 60 GLU CB C 13 28.7 0.2 . 1 . . . . . . . . 4964 1 720 . 1 1 60 60 GLU HB2 H 1 2.02 0.02 . 1 . . . . . . . . 4964 1 721 . 1 1 60 60 GLU HB3 H 1 2.22 0.02 . 1 . . . . . . . . 4964 1 722 . 1 1 60 60 GLU CG C 13 36.8 0.2 . 1 . . . . . . . . 4964 1 723 . 1 1 60 60 GLU HG2 H 1 2.24 0.02 . 1 . . . . . . . . 4964 1 724 . 1 1 60 60 GLU HG3 H 1 2.29 0.02 . 1 . . . . . . . . 4964 1 725 . 1 1 60 60 GLU C C 13 176.5 0.2 . 1 . . . . . . . . 4964 1 726 . 1 1 61 61 GLY N N 15 111.0 0.2 . 1 . . . . . . . . 4964 1 727 . 1 1 61 61 GLY H H 1 7.58 0.02 . 1 . . . . . . . . 4964 1 728 . 1 1 61 61 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 4964 1 729 . 1 1 61 61 GLY HA2 H 1 3.60 0.02 . 1 . . . . . . . . 4964 1 730 . 1 1 61 61 GLY HA3 H 1 3.83 0.02 . 1 . . . . . . . . 4964 1 731 . 1 1 61 61 GLY C C 13 174.0 0.2 . 1 . . . . . . . . 4964 1 732 . 1 1 62 62 LYS N N 15 121.5 0.2 . 1 . . . . . . . . 4964 1 733 . 1 1 62 62 LYS H H 1 7.88 0.02 . 1 . . . . . . . . 4964 1 734 . 1 1 62 62 LYS CA C 13 57.3 0.2 . 1 . . . . . . . . 4964 1 735 . 1 1 62 62 LYS HA H 1 3.94 0.02 . 1 . . . . . . . . 4964 1 736 . 1 1 62 62 LYS CB C 13 32.1 0.2 . 1 . . . . . . . . 4964 1 737 . 1 1 62 62 LYS HB2 H 1 1.68 0.02 . 1 . . . . . . . . 4964 1 738 . 1 1 62 62 LYS HB3 H 1 1.81 0.02 . 1 . . . . . . . . 4964 1 739 . 1 1 62 62 LYS CG C 13 25.3 0.2 . 1 . . . . . . . . 4964 1 740 . 1 1 62 62 LYS HG2 H 1 1.41 0.02 . 1 . . . . . . . . 4964 1 741 . 1 1 62 62 LYS HG3 H 1 1.41 0.02 . 1 . . . . . . . . 4964 1 742 . 1 1 62 62 LYS CD C 13 28.4 0.2 . 1 . . . . . . . . 4964 1 743 . 1 1 62 62 LYS HD2 H 1 1.83 0.02 . 1 . . . . . . . . 4964 1 744 . 1 1 62 62 LYS HD3 H 1 1.83 0.02 . 1 . . . . . . . . 4964 1 745 . 1 1 62 62 LYS CE C 13 41.8 0.2 . 1 . . . . . . . . 4964 1 746 . 1 1 62 62 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 4964 1 747 . 1 1 62 62 LYS HE3 H 1 3.09 0.02 . 1 . . . . . . . . 4964 1 748 . 1 1 62 62 LYS C C 13 176.8 0.2 . 1 . . . . . . . . 4964 1 749 . 1 1 63 63 LEU N N 15 122.3 0.2 . 1 . . . . . . . . 4964 1 750 . 1 1 63 63 LEU H H 1 7.48 0.02 . 1 . . . . . . . . 4964 1 751 . 1 1 63 63 LEU CA C 13 50.2 0.2 . 1 . . . . . . . . 4964 1 752 . 1 1 63 63 LEU HA H 1 3.84 0.02 . 1 . . . . . . . . 4964 1 753 . 1 1 63 63 LEU CB C 13 37.6 0.2 . 1 . . . . . . . . 4964 1 754 . 1 1 63 63 LEU HB2 H 1 -0.02 0.02 . 1 . . . . . . . . 4964 1 755 . 1 1 63 63 LEU HB3 H 1 -0.51 0.02 . 1 . . . . . . . . 4964 1 756 . 1 1 63 63 LEU CG C 13 23.8 0.2 . 1 . . . . . . . . 4964 1 757 . 1 1 63 63 LEU HG H 1 -0.31 0.02 . 1 . . . . . . . . 4964 1 758 . 1 1 63 63 LEU HD11 H 1 -1.03 0.02 . 1 . . . . . . . . 4964 1 759 . 1 1 63 63 LEU HD12 H 1 -1.03 0.02 . 1 . . . . . . . . 4964 1 760 . 1 1 63 63 LEU HD13 H 1 -1.03 0.02 . 1 . . . . . . . . 4964 1 761 . 1 1 63 63 LEU HD21 H 1 -1.09 0.02 . 1 . . . . . . . . 4964 1 762 . 1 1 63 63 LEU HD22 H 1 -1.09 0.02 . 1 . . . . . . . . 4964 1 763 . 1 1 63 63 LEU HD23 H 1 -1.09 0.02 . 1 . . . . . . . . 4964 1 764 . 1 1 63 63 LEU CD1 C 13 23.4 0.2 . 1 . . . . . . . . 4964 1 765 . 1 1 63 63 LEU CD2 C 13 20.4 0.2 . 1 . . . . . . . . 4964 1 766 . 1 1 64 64 PRO CD C 13 48.8 0.2 . 1 . . . . . . . . 4964 1 767 . 1 1 64 64 PRO CA C 13 62.9 0.2 . 1 . . . . . . . . 4964 1 768 . 1 1 64 64 PRO HA H 1 4.29 0.02 . 1 . . . . . . . . 4964 1 769 . 1 1 64 64 PRO CB C 13 30.9 0.2 . 1 . . . . . . . . 4964 1 770 . 1 1 64 64 PRO HB2 H 1 1.91 0.02 . 1 . . . . . . . . 4964 1 771 . 1 1 64 64 PRO HB3 H 1 2.31 0.02 . 1 . . . . . . . . 4964 1 772 . 1 1 64 64 PRO CG C 13 26.7 0.2 . 1 . . . . . . . . 4964 1 773 . 1 1 64 64 PRO HG2 H 1 2.24 0.02 . 1 . . . . . . . . 4964 1 774 . 1 1 64 64 PRO HG3 H 1 2.24 0.02 . 1 . . . . . . . . 4964 1 775 . 1 1 64 64 PRO HD2 H 1 2.95 0.02 . 1 . . . . . . . . 4964 1 776 . 1 1 64 64 PRO HD3 H 1 3.36 0.02 . 1 . . . . . . . . 4964 1 777 . 1 1 64 64 PRO C C 13 177.4 0.2 . 1 . . . . . . . . 4964 1 778 . 1 1 65 65 GLY N N 15 118.7 0.2 . 1 . . . . . . . . 4964 1 779 . 1 1 65 65 GLY H H 1 8.69 0.02 . 1 . . . . . . . . 4964 1 780 . 1 1 65 65 GLY CA C 13 43.1 0.2 . 1 . . . . . . . . 4964 1 781 . 1 1 65 65 GLY HA2 H 1 4.73 0.02 . 1 . . . . . . . . 4964 1 782 . 1 1 65 65 GLY HA3 H 1 3.72 0.02 . 1 . . . . . . . . 4964 1 783 . 1 1 65 65 GLY C C 13 172.8 0.2 . 1 . . . . . . . . 4964 1 784 . 1 1 66 66 LYS N N 15 124.8 0.2 . 1 . . . . . . . . 4964 1 785 . 1 1 66 66 LYS H H 1 8.22 0.02 . 1 . . . . . . . . 4964 1 786 . 1 1 66 66 LYS CA C 13 55.5 0.2 . 1 . . . . . . . . 4964 1 787 . 1 1 66 66 LYS HA H 1 4.37 0.02 . 1 . . . . . . . . 4964 1 788 . 1 1 66 66 LYS CB C 13 34.5 0.2 . 1 . . . . . . . . 4964 1 789 . 1 1 66 66 LYS HB2 H 1 1.45 0.02 . 1 . . . . . . . . 4964 1 790 . 1 1 66 66 LYS HB3 H 1 1.83 0.02 . 1 . . . . . . . . 4964 1 791 . 1 1 66 66 LYS CG C 13 23.3 0.2 . 1 . . . . . . . . 4964 1 792 . 1 1 66 66 LYS HG2 H 1 1.36 0.02 . 1 . . . . . . . . 4964 1 793 . 1 1 66 66 LYS HG3 H 1 1.36 0.02 . 1 . . . . . . . . 4964 1 794 . 1 1 66 66 LYS CD C 13 28.7 0.2 . 1 . . . . . . . . 4964 1 795 . 1 1 66 66 LYS HD2 H 1 1.53 0.02 . 1 . . . . . . . . 4964 1 796 . 1 1 66 66 LYS HD3 H 1 1.58 0.02 . 1 . . . . . . . . 4964 1 797 . 1 1 66 66 LYS CE C 13 41.0 0.2 . 1 . . . . . . . . 4964 1 798 . 1 1 66 66 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 4964 1 799 . 1 1 66 66 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 4964 1 800 . 1 1 67 67 SER CA C 13 57.70 0.02 . 1 . . . . . . . . 4964 1 801 . 1 1 67 67 SER HA H 1 4.26 0.02 . 1 . . . . . . . . 4964 1 802 . 1 1 67 67 SER CB C 13 59.70 0.02 . 1 . . . . . . . . 4964 1 803 . 1 1 67 67 SER HB2 H 1 3.87 0.02 . 1 . . . . . . . . 4964 1 804 . 1 1 67 67 SER HB3 H 1 3.87 0.02 . 1 . . . . . . . . 4964 1 805 . 1 1 67 67 SER C C 13 174.0 0.2 . 1 . . . . . . . . 4964 1 806 . 1 1 68 68 GLY CA C 13 44.6 0.2 . 1 . . . . . . . . 4964 1 807 . 1 1 68 68 GLY HA2 H 1 3.67 0.02 . 1 . . . . . . . . 4964 1 808 . 1 1 68 68 GLY HA3 H 1 4.20 0.02 . 1 . . . . . . . . 4964 1 809 . 1 1 68 68 GLY C C 13 172.9 0.2 . 1 . . . . . . . . 4964 1 810 . 1 1 69 69 ARG N N 15 125.7 0.2 . 1 . . . . . . . . 4964 1 811 . 1 1 69 69 ARG H H 1 8.06 0.02 . 1 . . . . . . . . 4964 1 812 . 1 1 69 69 ARG CA C 13 55.1 0.2 . 1 . . . . . . . . 4964 1 813 . 1 1 69 69 ARG HA H 1 4.21 0.02 . 1 . . . . . . . . 4964 1 814 . 1 1 69 69 ARG CB C 13 31.0 0.2 . 1 . . . . . . . . 4964 1 815 . 1 1 69 69 ARG HB2 H 1 1.62 0.02 . 1 . . . . . . . . 4964 1 816 . 1 1 69 69 ARG HB3 H 1 1.94 0.02 . 1 . . . . . . . . 4964 1 817 . 1 1 69 69 ARG CG C 13 26.5 0.2 . 1 . . . . . . . . 4964 1 818 . 1 1 69 69 ARG HG2 H 1 0.63 0.02 . 1 . . . . . . . . 4964 1 819 . 1 1 69 69 ARG HG3 H 1 1.06 0.02 . 1 . . . . . . . . 4964 1 820 . 1 1 69 69 ARG CD C 13 42.4 0.2 . 1 . . . . . . . . 4964 1 821 . 1 1 69 69 ARG HD2 H 1 2.80 0.02 . 1 . . . . . . . . 4964 1 822 . 1 1 69 69 ARG HD3 H 1 3.07 0.02 . 1 . . . . . . . . 4964 1 823 . 1 1 69 69 ARG NE N 15 88.6 0.2 . 1 . . . . . . . . 4964 1 824 . 1 1 69 69 ARG HE H 1 8.47 0.02 . 1 . . . . . . . . 4964 1 825 . 1 1 69 69 ARG CZ C 13 159.6 0.2 . 1 . . . . . . . . 4964 1 826 . 1 1 69 69 ARG C C 13 175.8 0.2 . 1 . . . . . . . . 4964 1 827 . 1 1 70 70 THR N N 15 126.7 0.2 . 1 . . . . . . . . 4964 1 828 . 1 1 70 70 THR H H 1 8.18 0.02 . 1 . . . . . . . . 4964 1 829 . 1 1 70 70 THR CA C 13 60.0 0.2 . 1 . . . . . . . . 4964 1 830 . 1 1 70 70 THR HA H 1 4.47 0.02 . 1 . . . . . . . . 4964 1 831 . 1 1 70 70 THR CB C 13 70.9 0.2 . 1 . . . . . . . . 4964 1 832 . 1 1 70 70 THR HB H 1 3.90 0.02 . 1 . . . . . . . . 4964 1 833 . 1 1 70 70 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 4964 1 834 . 1 1 70 70 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 4964 1 835 . 1 1 70 70 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 4964 1 836 . 1 1 70 70 THR CG2 C 13 19.7 0.2 . 1 . . . . . . . . 4964 1 837 . 1 1 70 70 THR C C 13 172.6 0.2 . 1 . . . . . . . . 4964 1 838 . 1 1 71 71 TRP N N 15 128.7 0.2 . 1 . . . . . . . . 4964 1 839 . 1 1 71 71 TRP H H 1 9.15 0.02 . 1 . . . . . . . . 4964 1 840 . 1 1 71 71 TRP CA C 13 56.0 0.2 . 1 . . . . . . . . 4964 1 841 . 1 1 71 71 TRP HA H 1 4.68 0.02 . 1 . . . . . . . . 4964 1 842 . 1 1 71 71 TRP CB C 13 31.6 0.2 . 1 . . . . . . . . 4964 1 843 . 1 1 71 71 TRP HB2 H 1 3.36 0.02 . 1 . . . . . . . . 4964 1 844 . 1 1 71 71 TRP HB3 H 1 2.96 0.02 . 1 . . . . . . . . 4964 1 845 . 1 1 71 71 TRP CD1 C 13 125.6 0.2 . 1 . . . . . . . . 4964 1 846 . 1 1 71 71 TRP CE3 C 13 120.2 0.2 . 1 . . . . . . . . 4964 1 847 . 1 1 71 71 TRP CE2 C 13 138.7 0.2 . 1 . . . . . . . . 4964 1 848 . 1 1 71 71 TRP NE1 N 15 129.8 0.2 . 1 . . . . . . . . 4964 1 849 . 1 1 71 71 TRP HD1 H 1 7.09 0.02 . 1 . . . . . . . . 4964 1 850 . 1 1 71 71 TRP HE3 H 1 7.08 0.02 . 1 . . . . . . . . 4964 1 851 . 1 1 71 71 TRP CZ3 C 13 121.4 0.2 . 1 . . . . . . . . 4964 1 852 . 1 1 71 71 TRP CZ2 C 13 113.9 0.2 . 1 . . . . . . . . 4964 1 853 . 1 1 71 71 TRP HE1 H 1 8.85 0.02 . 1 . . . . . . . . 4964 1 854 . 1 1 71 71 TRP HZ3 H 1 6.94 0.02 . 1 . . . . . . . . 4964 1 855 . 1 1 71 71 TRP CH2 C 13 124.4 0.2 . 1 . . . . . . . . 4964 1 856 . 1 1 71 71 TRP HZ2 H 1 7.45 0.02 . 1 . . . . . . . . 4964 1 857 . 1 1 71 71 TRP HH2 H 1 6.98 0.02 . 1 . . . . . . . . 4964 1 858 . 1 1 71 71 TRP C C 13 173.9 0.2 . 1 . . . . . . . . 4964 1 859 . 1 1 72 72 ARG N N 15 125.7 0.2 . 1 . . . . . . . . 4964 1 860 . 1 1 72 72 ARG H H 1 8.61 0.02 . 1 . . . . . . . . 4964 1 861 . 1 1 72 72 ARG CA C 13 53.8 0.2 . 1 . . . . . . . . 4964 1 862 . 1 1 72 72 ARG HA H 1 5.08 0.02 . 1 . . . . . . . . 4964 1 863 . 1 1 72 72 ARG CB C 13 33.5 0.2 . 1 . . . . . . . . 4964 1 864 . 1 1 72 72 ARG HB2 H 1 0.24 0.02 . 1 . . . . . . . . 4964 1 865 . 1 1 72 72 ARG HB3 H 1 1.21 0.02 . 1 . . . . . . . . 4964 1 866 . 1 1 72 72 ARG CG C 13 28.6 0.2 . 1 . . . . . . . . 4964 1 867 . 1 1 72 72 ARG HG2 H 1 1.26 0.02 . 1 . . . . . . . . 4964 1 868 . 1 1 72 72 ARG HG3 H 1 1.26 0.02 . 1 . . . . . . . . 4964 1 869 . 1 1 72 72 ARG CD C 13 42.4 0.2 . 1 . . . . . . . . 4964 1 870 . 1 1 72 72 ARG HD2 H 1 2.82 0.02 . 1 . . . . . . . . 4964 1 871 . 1 1 72 72 ARG HD3 H 1 3.08 0.02 . 1 . . . . . . . . 4964 1 872 . 1 1 72 72 ARG NE N 15 92.4 0.2 . 5 . . . . . . . . 4964 1 873 . 1 1 72 72 ARG HE H 1 7.11 0.02 . 5 . . . . . . . . 4964 1 874 . 1 1 72 72 ARG CZ C 13 158.7 0.2 . 5 . . . . . . . . 4964 1 875 . 1 1 72 72 ARG C C 13 172.8 0.2 . 1 . . . . . . . . 4964 1 876 . 1 1 73 73 GLU N N 15 118.2 0.2 . 1 . . . . . . . . 4964 1 877 . 1 1 73 73 GLU H H 1 8.17 0.02 . 1 . . . . . . . . 4964 1 878 . 1 1 73 73 GLU CA C 13 52.2 0.2 . 1 . . . . . . . . 4964 1 879 . 1 1 73 73 GLU HA H 1 6.19 0.02 . 1 . . . . . . . . 4964 1 880 . 1 1 73 73 GLU CB C 13 35.3 0.2 . 1 . . . . . . . . 4964 1 881 . 1 1 73 73 GLU HB2 H 1 2.23 0.02 . 1 . . . . . . . . 4964 1 882 . 1 1 73 73 GLU HB3 H 1 2.03 0.02 . 1 . . . . . . . . 4964 1 883 . 1 1 73 73 GLU CG C 13 33.7 0.2 . 1 . . . . . . . . 4964 1 884 . 1 1 73 73 GLU HG2 H 1 2.60 0.02 . 1 . . . . . . . . 4964 1 885 . 1 1 73 73 GLU HG3 H 1 2.16 0.02 . 1 . . . . . . . . 4964 1 886 . 1 1 73 73 GLU C C 13 174.2 0.2 . 1 . . . . . . . . 4964 1 887 . 1 1 74 74 ALA N N 15 123.7 0.2 . 1 . . . . . . . . 4964 1 888 . 1 1 74 74 ALA H H 1 9.05 0.02 . 1 . . . . . . . . 4964 1 889 . 1 1 74 74 ALA CA C 13 51.8 0.2 . 1 . . . . . . . . 4964 1 890 . 1 1 74 74 ALA HA H 1 5.23 0.02 . 1 . . . . . . . . 4964 1 891 . 1 1 74 74 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 4964 1 892 . 1 1 74 74 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 4964 1 893 . 1 1 74 74 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 4964 1 894 . 1 1 74 74 ALA CB C 13 21.3 0.2 . 1 . . . . . . . . 4964 1 895 . 1 1 74 74 ALA C C 13 175.7 0.2 . 1 . . . . . . . . 4964 1 896 . 1 1 75 75 ASP N N 15 127.7 0.2 . 1 . . . . . . . . 4964 1 897 . 1 1 75 75 ASP H H 1 9.66 0.02 . 1 . . . . . . . . 4964 1 898 . 1 1 75 75 ASP CA C 13 54.6 0.2 . 1 . . . . . . . . 4964 1 899 . 1 1 75 75 ASP HA H 1 4.89 0.02 . 1 . . . . . . . . 4964 1 900 . 1 1 75 75 ASP CB C 13 39.7 0.2 . 1 . . . . . . . . 4964 1 901 . 1 1 75 75 ASP HB2 H 1 3.42 0.02 . 1 . . . . . . . . 4964 1 902 . 1 1 75 75 ASP HB3 H 1 2.49 0.02 . 1 . . . . . . . . 4964 1 903 . 1 1 75 75 ASP C C 13 175.7 0.2 . 1 . . . . . . . . 4964 1 904 . 1 1 76 76 ILE N N 15 130.8 0.2 . 1 . . . . . . . . 4964 1 905 . 1 1 76 76 ILE H H 1 7.75 0.02 . 1 . . . . . . . . 4964 1 906 . 1 1 76 76 ILE CA C 13 55.4 0.2 . 1 . . . . . . . . 4964 1 907 . 1 1 76 76 ILE HA H 1 4.26 0.02 . 1 . . . . . . . . 4964 1 908 . 1 1 76 76 ILE CB C 13 37.9 0.2 . 1 . . . . . . . . 4964 1 909 . 1 1 76 76 ILE HB H 1 0.92 0.02 . 1 . . . . . . . . 4964 1 910 . 1 1 76 76 ILE HG21 H 1 -0.29 0.02 . 1 . . . . . . . . 4964 1 911 . 1 1 76 76 ILE HG22 H 1 -0.29 0.02 . 1 . . . . . . . . 4964 1 912 . 1 1 76 76 ILE HG23 H 1 -0.29 0.02 . 1 . . . . . . . . 4964 1 913 . 1 1 76 76 ILE CG2 C 13 14.0 0.2 . 1 . . . . . . . . 4964 1 914 . 1 1 76 76 ILE CG1 C 13 24.5 0.2 . 1 . . . . . . . . 4964 1 915 . 1 1 76 76 ILE HG12 H 1 1.03 0.02 . 1 . . . . . . . . 4964 1 916 . 1 1 76 76 ILE HG13 H 1 1.43 0.02 . 1 . . . . . . . . 4964 1 917 . 1 1 76 76 ILE HD11 H 1 0.31 0.02 . 1 . . . . . . . . 4964 1 918 . 1 1 76 76 ILE HD12 H 1 0.31 0.02 . 1 . . . . . . . . 4964 1 919 . 1 1 76 76 ILE HD13 H 1 0.31 0.02 . 1 . . . . . . . . 4964 1 920 . 1 1 76 76 ILE CD1 C 13 7.5 0.2 . 1 . . . . . . . . 4964 1 921 . 1 1 76 76 ILE C C 13 173.2 0.2 . 1 . . . . . . . . 4964 1 922 . 1 1 77 77 ASN N N 15 119.5 0.2 . 1 . . . . . . . . 4964 1 923 . 1 1 77 77 ASN H H 1 8.76 0.02 . 1 . . . . . . . . 4964 1 924 . 1 1 77 77 ASN CA C 13 54.0 0.2 . 1 . . . . . . . . 4964 1 925 . 1 1 77 77 ASN HA H 1 4.13 0.02 . 1 . . . . . . . . 4964 1 926 . 1 1 77 77 ASN CB C 13 35.4 0.2 . 1 . . . . . . . . 4964 1 927 . 1 1 77 77 ASN HB2 H 1 3.09 0.02 . 1 . . . . . . . . 4964 1 928 . 1 1 77 77 ASN HB3 H 1 3.33 0.02 . 1 . . . . . . . . 4964 1 929 . 1 1 77 77 ASN ND2 N 15 120.3 0.2 . 1 . . . . . . . . 4964 1 930 . 1 1 77 77 ASN HD21 H 1 8.63 0.02 . 1 . . . . . . . . 4964 1 931 . 1 1 77 77 ASN HD22 H 1 6.32 0.02 . 1 . . . . . . . . 4964 1 932 . 1 1 77 77 ASN C C 13 172.9 0.2 . 1 . . . . . . . . 4964 1 933 . 1 1 78 78 TYR N N 15 125.9 0.2 . 1 . . . . . . . . 4964 1 934 . 1 1 78 78 TYR H H 1 8.98 0.02 . 1 . . . . . . . . 4964 1 935 . 1 1 78 78 TYR CA C 13 59.6 0.2 . 1 . . . . . . . . 4964 1 936 . 1 1 78 78 TYR HA H 1 4.32 0.02 . 1 . . . . . . . . 4964 1 937 . 1 1 78 78 TYR CB C 13 37.4 0.2 . 1 . . . . . . . . 4964 1 938 . 1 1 78 78 TYR HB2 H 1 3.11 0.02 . 1 . . . . . . . . 4964 1 939 . 1 1 78 78 TYR HB3 H 1 3.11 0.02 . 1 . . . . . . . . 4964 1 940 . 1 1 78 78 TYR HD1 H 1 7.20 0.02 . 1 . . . . . . . . 4964 1 941 . 1 1 78 78 TYR HD2 H 1 7.20 0.02 . 1 . . . . . . . . 4964 1 942 . 1 1 78 78 TYR HE1 H 1 6.52 0.02 . 1 . . . . . . . . 4964 1 943 . 1 1 78 78 TYR HE2 H 1 6.52 0.02 . 1 . . . . . . . . 4964 1 944 . 1 1 78 78 TYR CD1 C 13 132.8 0.2 . 1 . . . . . . . . 4964 1 945 . 1 1 78 78 TYR CD2 C 13 132.8 0.2 . 1 . . . . . . . . 4964 1 946 . 1 1 78 78 TYR CE1 C 13 116.4 0.2 . 1 . . . . . . . . 4964 1 947 . 1 1 78 78 TYR CE2 C 13 116.4 0.2 . 1 . . . . . . . . 4964 1 948 . 1 1 78 78 TYR C C 13 174.8 0.2 . 1 . . . . . . . . 4964 1 949 . 1 1 79 79 THR N N 15 124.0 0.2 . 1 . . . . . . . . 4964 1 950 . 1 1 79 79 THR H H 1 8.03 0.02 . 1 . . . . . . . . 4964 1 951 . 1 1 79 79 THR CA C 13 62.5 0.2 . 1 . . . . . . . . 4964 1 952 . 1 1 79 79 THR HA H 1 3.91 0.02 . 1 . . . . . . . . 4964 1 953 . 1 1 79 79 THR CB C 13 69.5 0.2 . 1 . . . . . . . . 4964 1 954 . 1 1 79 79 THR HB H 1 3.85 0.02 . 1 . . . . . . . . 4964 1 955 . 1 1 79 79 THR HG21 H 1 1.00 0.02 . 1 . . . . . . . . 4964 1 956 . 1 1 79 79 THR HG22 H 1 1.00 0.02 . 1 . . . . . . . . 4964 1 957 . 1 1 79 79 THR HG23 H 1 1.00 0.02 . 1 . . . . . . . . 4964 1 958 . 1 1 79 79 THR CG2 C 13 20.6 0.2 . 1 . . . . . . . . 4964 1 959 . 1 1 79 79 THR C C 13 172.2 0.2 . 1 . . . . . . . . 4964 1 960 . 1 1 80 80 SER N N 15 117.3 0.2 . 1 . . . . . . . . 4964 1 961 . 1 1 80 80 SER H H 1 7.22 0.02 . 1 . . . . . . . . 4964 1 962 . 1 1 80 80 SER CA C 13 57.7 0.2 . 1 . . . . . . . . 4964 1 963 . 1 1 80 80 SER HA H 1 4.40 0.02 . 1 . . . . . . . . 4964 1 964 . 1 1 80 80 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 4964 1 965 . 1 1 80 80 SER HB2 H 1 3.71 0.02 . 1 . . . . . . . . 4964 1 966 . 1 1 80 80 SER HB3 H 1 3.72 0.02 . 1 . . . . . . . . 4964 1 967 . 1 1 80 80 SER C C 13 172.5 0.2 . 1 . . . . . . . . 4964 1 968 . 1 1 81 81 GLY N N 15 111.9 0.2 . 1 . . . . . . . . 4964 1 969 . 1 1 81 81 GLY H H 1 8.77 0.02 . 1 . . . . . . . . 4964 1 970 . 1 1 81 81 GLY CA C 13 43.8 0.2 . 1 . . . . . . . . 4964 1 971 . 1 1 81 81 GLY HA2 H 1 4.01 0.02 . 1 . . . . . . . . 4964 1 972 . 1 1 81 81 GLY HA3 H 1 4.56 0.02 . 1 . . . . . . . . 4964 1 973 . 1 1 81 81 GLY C C 13 176.8 0.2 . 1 . . . . . . . . 4964 1 974 . 1 1 82 82 PHE N N 15 126.7 0.2 . 1 . . . . . . . . 4964 1 975 . 1 1 82 82 PHE H H 1 8.91 0.02 . 1 . . . . . . . . 4964 1 976 . 1 1 82 82 PHE CA C 13 59.2 0.2 . 1 . . . . . . . . 4964 1 977 . 1 1 82 82 PHE HA H 1 4.53 0.02 . 1 . . . . . . . . 4964 1 978 . 1 1 82 82 PHE CB C 13 38.5 0.2 . 1 . . . . . . . . 4964 1 979 . 1 1 82 82 PHE HB2 H 1 3.09 0.02 . 1 . . . . . . . . 4964 1 980 . 1 1 82 82 PHE HB3 H 1 3.49 0.02 . 1 . . . . . . . . 4964 1 981 . 1 1 82 82 PHE HD1 H 1 7.60 0.02 . 1 . . . . . . . . 4964 1 982 . 1 1 82 82 PHE HD2 H 1 7.60 0.02 . 1 . . . . . . . . 4964 1 983 . 1 1 82 82 PHE HE1 H 1 7.46 0.02 . 1 . . . . . . . . 4964 1 984 . 1 1 82 82 PHE HE2 H 1 7.46 0.02 . 1 . . . . . . . . 4964 1 985 . 1 1 82 82 PHE CD1 C 13 131.1 0.2 . 1 . . . . . . . . 4964 1 986 . 1 1 82 82 PHE CD2 C 13 131.1 0.2 . 1 . . . . . . . . 4964 1 987 . 1 1 82 82 PHE CE1 C 13 131.1 0.2 . 1 . . . . . . . . 4964 1 988 . 1 1 82 82 PHE CE2 C 13 131.1 0.2 . 1 . . . . . . . . 4964 1 989 . 1 1 82 82 PHE CZ C 13 129.1 0.2 . 1 . . . . . . . . 4964 1 990 . 1 1 82 82 PHE HZ H 1 7.26 0.02 . 1 . . . . . . . . 4964 1 991 . 1 1 82 82 PHE C C 13 175.5 0.2 . 1 . . . . . . . . 4964 1 992 . 1 1 83 83 ARG N N 15 122.3 0.2 . 1 . . . . . . . . 4964 1 993 . 1 1 83 83 ARG H H 1 7.96 0.02 . 1 . . . . . . . . 4964 1 994 . 1 1 83 83 ARG CA C 13 57.4 0.2 . 1 . . . . . . . . 4964 1 995 . 1 1 83 83 ARG HA H 1 4.36 0.02 . 1 . . . . . . . . 4964 1 996 . 1 1 83 83 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 4964 1 997 . 1 1 83 83 ARG HB2 H 1 1.87 0.02 . 1 . . . . . . . . 4964 1 998 . 1 1 83 83 ARG HB3 H 1 2.37 0.02 . 1 . . . . . . . . 4964 1 999 . 1 1 83 83 ARG CG C 13 26.2 0.2 . 1 . . . . . . . . 4964 1 1000 . 1 1 83 83 ARG HG2 H 1 1.41 0.02 . 1 . . . . . . . . 4964 1 1001 . 1 1 83 83 ARG HG3 H 1 1.87 0.02 . 1 . . . . . . . . 4964 1 1002 . 1 1 83 83 ARG CD C 13 43.5 0.2 . 1 . . . . . . . . 4964 1 1003 . 1 1 83 83 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 4964 1 1004 . 1 1 83 83 ARG HD3 H 1 3.61 0.02 . 1 . . . . . . . . 4964 1 1005 . 1 1 83 83 ARG NE N 15 88.2 0.2 . 1 . . . . . . . . 4964 1 1006 . 1 1 83 83 ARG HE H 1 9.66 0.02 . 1 . . . . . . . . 4964 1 1007 . 1 1 83 83 ARG CZ C 13 160.7 0.2 . 1 . . . . . . . . 4964 1 1008 . 1 1 83 83 ARG C C 13 176.2 0.2 . 1 . . . . . . . . 4964 1 1009 . 1 1 84 84 ASN N N 15 126.1 0.2 . 1 . . . . . . . . 4964 1 1010 . 1 1 84 84 ASN H H 1 8.95 0.02 . 1 . . . . . . . . 4964 1 1011 . 1 1 84 84 ASN CA C 13 51.2 0.2 . 1 . . . . . . . . 4964 1 1012 . 1 1 84 84 ASN HA H 1 4.99 0.02 . 1 . . . . . . . . 4964 1 1013 . 1 1 84 84 ASN CB C 13 38.1 0.2 . 1 . . . . . . . . 4964 1 1014 . 1 1 84 84 ASN HB2 H 1 3.76 0.02 . 1 . . . . . . . . 4964 1 1015 . 1 1 84 84 ASN HB3 H 1 3.21 0.02 . 1 . . . . . . . . 4964 1 1016 . 1 1 84 84 ASN ND2 N 15 117.9 0.2 . 1 . . . . . . . . 4964 1 1017 . 1 1 84 84 ASN HD21 H 1 7.86 0.02 . 1 . . . . . . . . 4964 1 1018 . 1 1 84 84 ASN HD22 H 1 8.33 0.02 . 1 . . . . . . . . 4964 1 1019 . 1 1 84 84 ASN C C 13 176.7 0.2 . 1 . . . . . . . . 4964 1 1020 . 1 1 85 85 SER N N 15 117.3 0.2 . 1 . . . . . . . . 4964 1 1021 . 1 1 85 85 SER H H 1 8.30 0.02 . 1 . . . . . . . . 4964 1 1022 . 1 1 85 85 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 4964 1 1023 . 1 1 85 85 SER HA H 1 4.40 0.02 . 1 . . . . . . . . 4964 1 1024 . 1 1 85 85 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 4964 1 1025 . 1 1 85 85 SER HB2 H 1 3.85 0.02 . 1 . . . . . . . . 4964 1 1026 . 1 1 85 85 SER HB3 H 1 3.85 0.02 . 1 . . . . . . . . 4964 1 1027 . 1 1 85 85 SER C C 13 172.8 0.2 . 1 . . . . . . . . 4964 1 1028 . 1 1 86 86 ASP N N 15 126.6 0.2 . 1 . . . . . . . . 4964 1 1029 . 1 1 86 86 ASP H H 1 7.68 0.02 . 1 . . . . . . . . 4964 1 1030 . 1 1 86 86 ASP CA C 13 53.6 0.2 . 1 . . . . . . . . 4964 1 1031 . 1 1 86 86 ASP HA H 1 5.62 0.02 . 1 . . . . . . . . 4964 1 1032 . 1 1 86 86 ASP CB C 13 41.3 0.2 . 1 . . . . . . . . 4964 1 1033 . 1 1 86 86 ASP HB2 H 1 3.22 0.02 . 1 . . . . . . . . 4964 1 1034 . 1 1 86 86 ASP HB3 H 1 2.27 0.02 . 1 . . . . . . . . 4964 1 1035 . 1 1 86 86 ASP C C 13 177.7 0.2 . 1 . . . . . . . . 4964 1 1036 . 1 1 87 87 ARG N N 15 128.0 0.2 . 1 . . . . . . . . 4964 1 1037 . 1 1 87 87 ARG H H 1 9.44 0.02 . 1 . . . . . . . . 4964 1 1038 . 1 1 87 87 ARG CA C 13 52.6 0.2 . 1 . . . . . . . . 4964 1 1039 . 1 1 87 87 ARG HA H 1 5.60 0.02 . 1 . . . . . . . . 4964 1 1040 . 1 1 87 87 ARG CB C 13 32.4 0.2 . 1 . . . . . . . . 4964 1 1041 . 1 1 87 87 ARG HB2 H 1 1.60 0.02 . 1 . . . . . . . . 4964 1 1042 . 1 1 87 87 ARG HB3 H 1 1.60 0.02 . 1 . . . . . . . . 4964 1 1043 . 1 1 87 87 ARG CG C 13 24.0 0.2 . 1 . . . . . . . . 4964 1 1044 . 1 1 87 87 ARG HG2 H 1 1.22 0.02 . 1 . . . . . . . . 4964 1 1045 . 1 1 87 87 ARG HG3 H 1 0.94 0.02 . 1 . . . . . . . . 4964 1 1046 . 1 1 87 87 ARG CD C 13 42.9 0.2 . 1 . . . . . . . . 4964 1 1047 . 1 1 87 87 ARG HD2 H 1 3.05 0.02 . 1 . . . . . . . . 4964 1 1048 . 1 1 87 87 ARG HD3 H 1 3.47 0.02 . 1 . . . . . . . . 4964 1 1049 . 1 1 87 87 ARG NE N 15 92.2 0.2 . 1 . . . . . . . . 4964 1 1050 . 1 1 87 87 ARG HE H 1 7.37 0.02 . 1 . . . . . . . . 4964 1 1051 . 1 1 87 87 ARG CZ C 13 158.5 0.2 . 1 . . . . . . . . 4964 1 1052 . 1 1 87 87 ARG C C 13 174.6 0.2 . 1 . . . . . . . . 4964 1 1053 . 1 1 88 88 ILE N N 15 127.4 0.2 . 1 . . . . . . . . 4964 1 1054 . 1 1 88 88 ILE H H 1 9.47 0.02 . 1 . . . . . . . . 4964 1 1055 . 1 1 88 88 ILE CA C 13 58.9 0.2 . 1 . . . . . . . . 4964 1 1056 . 1 1 88 88 ILE HA H 1 5.39 0.02 . 1 . . . . . . . . 4964 1 1057 . 1 1 88 88 ILE CB C 13 41.1 0.2 . 1 . . . . . . . . 4964 1 1058 . 1 1 88 88 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 4964 1 1059 . 1 1 88 88 ILE HG21 H 1 1.11 0.02 . 1 . . . . . . . . 4964 1 1060 . 1 1 88 88 ILE HG22 H 1 1.11 0.02 . 1 . . . . . . . . 4964 1 1061 . 1 1 88 88 ILE HG23 H 1 1.11 0.02 . 1 . . . . . . . . 4964 1 1062 . 1 1 88 88 ILE CG2 C 13 16.7 0.2 . 1 . . . . . . . . 4964 1 1063 . 1 1 88 88 ILE CG1 C 13 29.3 0.2 . 1 . . . . . . . . 4964 1 1064 . 1 1 88 88 ILE HG12 H 1 1.42 0.02 . 1 . . . . . . . . 4964 1 1065 . 1 1 88 88 ILE HG13 H 1 2.12 0.02 . 1 . . . . . . . . 4964 1 1066 . 1 1 88 88 ILE HD11 H 1 1.09 0.02 . 1 . . . . . . . . 4964 1 1067 . 1 1 88 88 ILE HD12 H 1 1.09 0.02 . 1 . . . . . . . . 4964 1 1068 . 1 1 88 88 ILE HD13 H 1 1.09 0.02 . 1 . . . . . . . . 4964 1 1069 . 1 1 88 88 ILE CD1 C 13 14.1 0.2 . 1 . . . . . . . . 4964 1 1070 . 1 1 88 88 ILE C C 13 171.7 0.2 . 1 . . . . . . . . 4964 1 1071 . 1 1 89 89 LEU N N 15 134.4 0.2 . 1 . . . . . . . . 4964 1 1072 . 1 1 89 89 LEU H H 1 9.40 0.02 . 1 . . . . . . . . 4964 1 1073 . 1 1 89 89 LEU CA C 13 50.5 0.2 . 1 . . . . . . . . 4964 1 1074 . 1 1 89 89 LEU HA H 1 5.82 0.02 . 1 . . . . . . . . 4964 1 1075 . 1 1 89 89 LEU CB C 13 41.9 0.2 . 1 . . . . . . . . 4964 1 1076 . 1 1 89 89 LEU HB2 H 1 1.65 0.02 . 1 . . . . . . . . 4964 1 1077 . 1 1 89 89 LEU HB3 H 1 1.53 0.02 . 1 . . . . . . . . 4964 1 1078 . 1 1 89 89 LEU CG C 13 27.3 0.2 . 1 . . . . . . . . 4964 1 1079 . 1 1 89 89 LEU HG H 1 1.47 0.02 . 1 . . . . . . . . 4964 1 1080 . 1 1 89 89 LEU HD11 H 1 0.40 0.02 . 1 . . . . . . . . 4964 1 1081 . 1 1 89 89 LEU HD12 H 1 0.40 0.02 . 1 . . . . . . . . 4964 1 1082 . 1 1 89 89 LEU HD13 H 1 0.40 0.02 . 1 . . . . . . . . 4964 1 1083 . 1 1 89 89 LEU HD21 H 1 0.74 0.02 . 1 . . . . . . . . 4964 1 1084 . 1 1 89 89 LEU HD22 H 1 0.74 0.02 . 1 . . . . . . . . 4964 1 1085 . 1 1 89 89 LEU HD23 H 1 0.74 0.02 . 1 . . . . . . . . 4964 1 1086 . 1 1 89 89 LEU CD1 C 13 22.9 0.2 . 1 . . . . . . . . 4964 1 1087 . 1 1 89 89 LEU CD2 C 13 23.3 0.2 . 1 . . . . . . . . 4964 1 1088 . 1 1 89 89 LEU C C 13 174.9 0.2 . 1 . . . . . . . . 4964 1 1089 . 1 1 90 90 TYR N N 15 122.6 0.2 . 1 . . . . . . . . 4964 1 1090 . 1 1 90 90 TYR H H 1 9.29 0.02 . 1 . . . . . . . . 4964 1 1091 . 1 1 90 90 TYR CA C 13 52.9 0.2 . 1 . . . . . . . . 4964 1 1092 . 1 1 90 90 TYR HA H 1 6.52 0.02 . 1 . . . . . . . . 4964 1 1093 . 1 1 90 90 TYR CB C 13 41.3 0.2 . 1 . . . . . . . . 4964 1 1094 . 1 1 90 90 TYR HB2 H 1 2.84 0.02 . 1 . . . . . . . . 4964 1 1095 . 1 1 90 90 TYR HB3 H 1 2.97 0.02 . 1 . . . . . . . . 4964 1 1096 . 1 1 90 90 TYR HE1 H 1 6.23 0.02 . 1 . . . . . . . . 4964 1 1097 . 1 1 90 90 TYR HE2 H 1 6.23 0.02 . 1 . . . . . . . . 4964 1 1098 . 1 1 90 90 TYR CD1 C 13 132.9 0.2 . 1 . . . . . . . . 4964 1 1099 . 1 1 90 90 TYR HD1 H 1 6.79 0.02 . 1 . . . . . . . . 4964 1 1100 . 1 1 90 90 TYR CE1 C 13 116.6 0.2 . 1 . . . . . . . . 4964 1 1101 . 1 1 90 90 TYR CE2 C 13 116.6 0.2 . 1 . . . . . . . . 4964 1 1102 . 1 1 90 90 TYR CD2 C 13 134.4 0.2 . 1 . . . . . . . . 4964 1 1103 . 1 1 90 90 TYR HD2 H 1 6.56 0.02 . 1 . . . . . . . . 4964 1 1104 . 1 1 90 90 TYR C C 13 174.1 0.2 . 1 . . . . . . . . 4964 1 1105 . 1 1 91 91 SER N N 15 125.3 0.2 . 1 . . . . . . . . 4964 1 1106 . 1 1 91 91 SER H H 1 8.86 0.02 . 1 . . . . . . . . 4964 1 1107 . 1 1 91 91 SER CA C 13 55.5 0.2 . 1 . . . . . . . . 4964 1 1108 . 1 1 91 91 SER HA H 1 4.69 0.02 . 1 . . . . . . . . 4964 1 1109 . 1 1 91 91 SER HB2 H 1 2.96 0.02 . 1 . . . . . . . . 4964 1 1110 . 1 1 91 91 SER HB3 H 1 1.16 0.02 . 1 . . . . . . . . 4964 1 1111 . 1 1 91 91 SER HG H 1 5.40 0.02 . 1 . . . . . . . . 4964 1 1112 . 1 1 91 91 SER C C 13 176.2 0.2 . 1 . . . . . . . . 4964 1 1113 . 1 1 92 92 SER N N 15 117.9 0.2 . 1 . . . . . . . . 4964 1 1114 . 1 1 92 92 SER H H 1 8.03 0.02 . 1 . . . . . . . . 4964 1 1115 . 1 1 92 92 SER CA C 13 58.9 0.2 . 1 . . . . . . . . 4964 1 1116 . 1 1 92 92 SER HA H 1 3.51 0.02 . 1 . . . . . . . . 4964 1 1117 . 1 1 92 92 SER CB C 13 61.8 0.2 . 1 . . . . . . . . 4964 1 1118 . 1 1 92 92 SER HB2 H 1 3.90 0.02 . 1 . . . . . . . . 4964 1 1119 . 1 1 92 92 SER HB3 H 1 3.66 0.02 . 1 . . . . . . . . 4964 1 1120 . 1 1 92 92 SER C C 13 173.2 0.2 . 1 . . . . . . . . 4964 1 1121 . 1 1 93 93 ASP N N 15 119.3 0.2 . 1 . . . . . . . . 4964 1 1122 . 1 1 93 93 ASP H H 1 8.00 0.02 . 1 . . . . . . . . 4964 1 1123 . 1 1 93 93 ASP CA C 13 51.4 0.2 . 1 . . . . . . . . 4964 1 1124 . 1 1 93 93 ASP HA H 1 4.34 0.02 . 1 . . . . . . . . 4964 1 1125 . 1 1 93 93 ASP CB C 13 36.9 0.2 . 1 . . . . . . . . 4964 1 1126 . 1 1 93 93 ASP HB2 H 1 2.41 0.02 . 1 . . . . . . . . 4964 1 1127 . 1 1 93 93 ASP HB3 H 1 2.99 0.02 . 1 . . . . . . . . 4964 1 1128 . 1 1 93 93 ASP C C 13 173.6 0.2 . 1 . . . . . . . . 4964 1 1129 . 1 1 94 94 TRP N N 15 119.7 0.2 . 1 . . . . . . . . 4964 1 1130 . 1 1 94 94 TRP H H 1 7.17 0.02 . 1 . . . . . . . . 4964 1 1131 . 1 1 94 94 TRP CA C 13 57.7 0.2 . 1 . . . . . . . . 4964 1 1132 . 1 1 94 94 TRP HA H 1 4.10 0.02 . 1 . . . . . . . . 4964 1 1133 . 1 1 94 94 TRP CB C 13 24.4 0.2 . 1 . . . . . . . . 4964 1 1134 . 1 1 94 94 TRP HB2 H 1 3.38 0.02 . 1 . . . . . . . . 4964 1 1135 . 1 1 94 94 TRP HB3 H 1 3.43 0.02 . 1 . . . . . . . . 4964 1 1136 . 1 1 94 94 TRP CD1 C 13 126.8 0.2 . 1 . . . . . . . . 4964 1 1137 . 1 1 94 94 TRP CE3 C 13 118.9 0.2 . 1 . . . . . . . . 4964 1 1138 . 1 1 94 94 TRP CE2 C 13 139.2 0.2 . 1 . . . . . . . . 4964 1 1139 . 1 1 94 94 TRP NE1 N 15 132.3 0.2 . 1 . . . . . . . . 4964 1 1140 . 1 1 94 94 TRP HD1 H 1 6.86 0.02 . 1 . . . . . . . . 4964 1 1141 . 1 1 94 94 TRP HE3 H 1 7.19 0.02 . 1 . . . . . . . . 4964 1 1142 . 1 1 94 94 TRP CZ3 C 13 120.6 0.2 . 1 . . . . . . . . 4964 1 1143 . 1 1 94 94 TRP CZ2 C 13 113.9 0.2 . 1 . . . . . . . . 4964 1 1144 . 1 1 94 94 TRP HE1 H 1 9.59 0.02 . 1 . . . . . . . . 4964 1 1145 . 1 1 94 94 TRP HZ3 H 1 6.79 0.02 . 1 . . . . . . . . 4964 1 1146 . 1 1 94 94 TRP CH2 C 13 122.1 0.2 . 1 . . . . . . . . 4964 1 1147 . 1 1 94 94 TRP HZ2 H 1 7.38 0.02 . 1 . . . . . . . . 4964 1 1148 . 1 1 94 94 TRP HH2 H 1 6.89 0.02 . 1 . . . . . . . . 4964 1 1149 . 1 1 94 94 TRP C C 13 175.6 0.2 . 1 . . . . . . . . 4964 1 1150 . 1 1 95 95 LEU N N 15 123.7 0.2 . 1 . . . . . . . . 4964 1 1151 . 1 1 95 95 LEU H H 1 8.13 0.02 . 1 . . . . . . . . 4964 1 1152 . 1 1 95 95 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 4964 1 1153 . 1 1 95 95 LEU HA H 1 4.70 0.02 . 1 . . . . . . . . 4964 1 1154 . 1 1 95 95 LEU CB C 13 42.4 0.2 . 1 . . . . . . . . 4964 1 1155 . 1 1 95 95 LEU HB2 H 1 2.07 0.02 . 1 . . . . . . . . 4964 1 1156 . 1 1 95 95 LEU HB3 H 1 1.64 0.02 . 1 . . . . . . . . 4964 1 1157 . 1 1 95 95 LEU CG C 13 26.7 0.2 . 1 . . . . . . . . 4964 1 1158 . 1 1 95 95 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 4964 1 1159 . 1 1 95 95 LEU HD11 H 1 1.03 0.02 . 1 . . . . . . . . 4964 1 1160 . 1 1 95 95 LEU HD12 H 1 1.03 0.02 . 1 . . . . . . . . 4964 1 1161 . 1 1 95 95 LEU HD13 H 1 1.03 0.02 . 1 . . . . . . . . 4964 1 1162 . 1 1 95 95 LEU HD21 H 1 0.93 0.02 . 1 . . . . . . . . 4964 1 1163 . 1 1 95 95 LEU HD22 H 1 0.93 0.02 . 1 . . . . . . . . 4964 1 1164 . 1 1 95 95 LEU HD23 H 1 0.93 0.02 . 1 . . . . . . . . 4964 1 1165 . 1 1 95 95 LEU CD1 C 13 22.5 0.2 . 1 . . . . . . . . 4964 1 1166 . 1 1 95 95 LEU CD2 C 13 23.9 0.2 . 1 . . . . . . . . 4964 1 1167 . 1 1 95 95 LEU C C 13 177.6 0.2 . 1 . . . . . . . . 4964 1 1168 . 1 1 96 96 ILE N N 15 122.7 0.2 . 1 . . . . . . . . 4964 1 1169 . 1 1 96 96 ILE H H 1 8.78 0.02 . 1 . . . . . . . . 4964 1 1170 . 1 1 96 96 ILE CA C 13 60.6 0.2 . 1 . . . . . . . . 4964 1 1171 . 1 1 96 96 ILE HA H 1 5.64 0.02 . 1 . . . . . . . . 4964 1 1172 . 1 1 96 96 ILE CB C 13 38.8 0.2 . 1 . . . . . . . . 4964 1 1173 . 1 1 96 96 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 4964 1 1174 . 1 1 96 96 ILE HG21 H 1 1.15 0.02 . 1 . . . . . . . . 4964 1 1175 . 1 1 96 96 ILE HG22 H 1 1.15 0.02 . 1 . . . . . . . . 4964 1 1176 . 1 1 96 96 ILE HG23 H 1 1.15 0.02 . 1 . . . . . . . . 4964 1 1177 . 1 1 96 96 ILE CG2 C 13 18.1 0.2 . 1 . . . . . . . . 4964 1 1178 . 1 1 96 96 ILE CG1 C 13 26.0 0.2 . 1 . . . . . . . . 4964 1 1179 . 1 1 96 96 ILE HG12 H 1 1.36 0.02 . 1 . . . . . . . . 4964 1 1180 . 1 1 96 96 ILE HG13 H 1 1.80 0.02 . 1 . . . . . . . . 4964 1 1181 . 1 1 96 96 ILE HD11 H 1 1.04 0.02 . 1 . . . . . . . . 4964 1 1182 . 1 1 96 96 ILE HD12 H 1 1.04 0.02 . 1 . . . . . . . . 4964 1 1183 . 1 1 96 96 ILE HD13 H 1 1.04 0.02 . 1 . . . . . . . . 4964 1 1184 . 1 1 96 96 ILE CD1 C 13 12.7 0.2 . 1 . . . . . . . . 4964 1 1185 . 1 1 96 96 ILE C C 13 174.3 0.2 . 1 . . . . . . . . 4964 1 1186 . 1 1 97 97 TYR N N 15 133.3 0.2 . 1 . . . . . . . . 4964 1 1187 . 1 1 97 97 TYR H H 1 10.33 0.02 . 1 . . . . . . . . 4964 1 1188 . 1 1 97 97 TYR CA C 13 55.7 0.2 . 1 . . . . . . . . 4964 1 1189 . 1 1 97 97 TYR HA H 1 5.50 0.02 . 1 . . . . . . . . 4964 1 1190 . 1 1 97 97 TYR CB C 13 43.8 0.2 . 1 . . . . . . . . 4964 1 1191 . 1 1 97 97 TYR HB2 H 1 2.93 0.02 . 1 . . . . . . . . 4964 1 1192 . 1 1 97 97 TYR HB3 H 1 2.79 0.02 . 1 . . . . . . . . 4964 1 1193 . 1 1 97 97 TYR HD1 H 1 6.99 0.02 . 1 . . . . . . . . 4964 1 1194 . 1 1 97 97 TYR HD2 H 1 6.99 0.02 . 1 . . . . . . . . 4964 1 1195 . 1 1 97 97 TYR HE1 H 1 6.89 0.02 . 1 . . . . . . . . 4964 1 1196 . 1 1 97 97 TYR HE2 H 1 6.89 0.02 . 1 . . . . . . . . 4964 1 1197 . 1 1 97 97 TYR CD1 C 13 132.1 0.2 . 1 . . . . . . . . 4964 1 1198 . 1 1 97 97 TYR CD2 C 13 132.1 0.2 . 1 . . . . . . . . 4964 1 1199 . 1 1 97 97 TYR CE1 C 13 117.1 0.2 . 1 . . . . . . . . 4964 1 1200 . 1 1 97 97 TYR CE2 C 13 117.1 0.2 . 1 . . . . . . . . 4964 1 1201 . 1 1 97 97 TYR C C 13 173.6 0.2 . 1 . . . . . . . . 4964 1 1202 . 1 1 98 98 LYS N N 15 120.7 0.2 . 1 . . . . . . . . 4964 1 1203 . 1 1 98 98 LYS H H 1 9.55 0.02 . 1 . . . . . . . . 4964 1 1204 . 1 1 98 98 LYS CA C 13 53.3 0.2 . 1 . . . . . . . . 4964 1 1205 . 1 1 98 98 LYS HA H 1 5.75 0.02 . 1 . . . . . . . . 4964 1 1206 . 1 1 98 98 LYS CB C 13 37.4 0.2 . 1 . . . . . . . . 4964 1 1207 . 1 1 98 98 LYS HB2 H 1 1.65 0.02 . 1 . . . . . . . . 4964 1 1208 . 1 1 98 98 LYS HB3 H 1 1.41 0.02 . 1 . . . . . . . . 4964 1 1209 . 1 1 98 98 LYS CG C 13 22.6 0.2 . 1 . . . . . . . . 4964 1 1210 . 1 1 98 98 LYS HG2 H 1 1.15 0.02 . 1 . . . . . . . . 4964 1 1211 . 1 1 98 98 LYS HG3 H 1 0.96 0.02 . 1 . . . . . . . . 4964 1 1212 . 1 1 98 98 LYS CD C 13 28.2 0.2 . 1 . . . . . . . . 4964 1 1213 . 1 1 98 98 LYS HD2 H 1 0.81 0.02 . 1 . . . . . . . . 4964 1 1214 . 1 1 98 98 LYS HD3 H 1 0.40 0.02 . 1 . . . . . . . . 4964 1 1215 . 1 1 98 98 LYS CE C 13 40.7 0.2 . 1 . . . . . . . . 4964 1 1216 . 1 1 98 98 LYS HE2 H 1 2.13 0.02 . 1 . . . . . . . . 4964 1 1217 . 1 1 98 98 LYS HE3 H 1 2.26 0.02 . 1 . . . . . . . . 4964 1 1218 . 1 1 98 98 LYS C C 13 174.0 0.2 . 1 . . . . . . . . 4964 1 1219 . 1 1 99 99 THR N N 15 119.9 0.2 . 1 . . . . . . . . 4964 1 1220 . 1 1 99 99 THR H H 1 8.80 0.02 . 1 . . . . . . . . 4964 1 1221 . 1 1 99 99 THR CA C 13 58.9 0.2 . 1 . . . . . . . . 4964 1 1222 . 1 1 99 99 THR HA H 1 4.95 0.02 . 1 . . . . . . . . 4964 1 1223 . 1 1 99 99 THR CB C 13 69.4 0.2 . 1 . . . . . . . . 4964 1 1224 . 1 1 99 99 THR HB H 1 3.86 0.02 . 1 . . . . . . . . 4964 1 1225 . 1 1 99 99 THR HG21 H 1 0.95 0.02 . 1 . . . . . . . . 4964 1 1226 . 1 1 99 99 THR HG22 H 1 0.95 0.02 . 1 . . . . . . . . 4964 1 1227 . 1 1 99 99 THR HG23 H 1 0.95 0.02 . 1 . . . . . . . . 4964 1 1228 . 1 1 99 99 THR HG1 H 1 4.99 0.02 . 1 . . . . . . . . 4964 1 1229 . 1 1 99 99 THR CG2 C 13 18.5 0.2 . 1 . . . . . . . . 4964 1 1230 . 1 1 99 99 THR C C 13 171.6 0.2 . 1 . . . . . . . . 4964 1 1231 . 1 1 100 100 THR N N 15 121.1 0.2 . 1 . . . . . . . . 4964 1 1232 . 1 1 100 100 THR H H 1 9.02 0.02 . 1 . . . . . . . . 4964 1 1233 . 1 1 100 100 THR CA C 13 59.9 0.2 . 1 . . . . . . . . 4964 1 1234 . 1 1 100 100 THR HA H 1 5.36 0.02 . 1 . . . . . . . . 4964 1 1235 . 1 1 100 100 THR CB C 13 68.6 0.2 . 1 . . . . . . . . 4964 1 1236 . 1 1 100 100 THR HB H 1 4.73 0.02 . 1 . . . . . . . . 4964 1 1237 . 1 1 100 100 THR HG21 H 1 1.11 0.02 . 1 . . . . . . . . 4964 1 1238 . 1 1 100 100 THR HG22 H 1 1.11 0.02 . 1 . . . . . . . . 4964 1 1239 . 1 1 100 100 THR HG23 H 1 1.11 0.02 . 1 . . . . . . . . 4964 1 1240 . 1 1 100 100 THR HG1 H 1 4.96 0.02 . 1 . . . . . . . . 4964 1 1241 . 1 1 100 100 THR CG2 C 13 16.9 0.2 . 1 . . . . . . . . 4964 1 1242 . 1 1 100 100 THR C C 13 174.4 0.2 . 1 . . . . . . . . 4964 1 1243 . 1 1 101 101 ASP N N 15 127.2 0.2 . 1 . . . . . . . . 4964 1 1244 . 1 1 101 101 ASP H H 1 8.41 0.02 . 1 . . . . . . . . 4964 1 1245 . 1 1 101 101 ASP CA C 13 51.1 0.2 . 1 . . . . . . . . 4964 1 1246 . 1 1 101 101 ASP HA H 1 4.84 0.02 . 1 . . . . . . . . 4964 1 1247 . 1 1 101 101 ASP CB C 13 39.3 0.2 . 1 . . . . . . . . 4964 1 1248 . 1 1 101 101 ASP HB2 H 1 2.34 0.02 . 1 . . . . . . . . 4964 1 1249 . 1 1 101 101 ASP HB3 H 1 3.00 0.02 . 1 . . . . . . . . 4964 1 1250 . 1 1 101 101 ASP C C 13 176.0 0.2 . 1 . . . . . . . . 4964 1 1251 . 1 1 102 102 HIS N N 15 122.5 0.2 . 1 . . . . . . . . 4964 1 1252 . 1 1 102 102 HIS H H 1 8.80 0.02 . 1 . . . . . . . . 4964 1 1253 . 1 1 102 102 HIS CA C 13 58.3 0.2 . 1 . . . . . . . . 4964 1 1254 . 1 1 102 102 HIS HA H 1 3.08 0.02 . 1 . . . . . . . . 4964 1 1255 . 1 1 102 102 HIS CB C 13 27.2 0.2 . 1 . . . . . . . . 4964 1 1256 . 1 1 102 102 HIS HB2 H 1 3.85 0.02 . 1 . . . . . . . . 4964 1 1257 . 1 1 102 102 HIS HB3 H 1 2.63 0.02 . 1 . . . . . . . . 4964 1 1258 . 1 1 102 102 HIS CD2 C 13 119.7 0.2 . 1 . . . . . . . . 4964 1 1259 . 1 1 102 102 HIS CE1 C 13 136.5 0.2 . 1 . . . . . . . . 4964 1 1260 . 1 1 102 102 HIS HD2 H 1 6.64 0.02 . 1 . . . . . . . . 4964 1 1261 . 1 1 102 102 HIS HE1 H 1 8.31 0.02 . 1 . . . . . . . . 4964 1 1262 . 1 1 102 102 HIS C C 13 173.2 0.2 . 1 . . . . . . . . 4964 1 1263 . 1 1 103 103 TYR N N 15 111.0 0.2 . 1 . . . . . . . . 4964 1 1264 . 1 1 103 103 TYR H H 1 7.46 0.02 . 1 . . . . . . . . 4964 1 1265 . 1 1 103 103 TYR CA C 13 57.7 0.2 . 1 . . . . . . . . 4964 1 1266 . 1 1 103 103 TYR HA H 1 3.28 0.02 . 1 . . . . . . . . 4964 1 1267 . 1 1 103 103 TYR CB C 13 34.4 0.2 . 1 . . . . . . . . 4964 1 1268 . 1 1 103 103 TYR HB2 H 1 3.51 0.02 . 1 . . . . . . . . 4964 1 1269 . 1 1 103 103 TYR HB3 H 1 3.48 0.02 . 1 . . . . . . . . 4964 1 1270 . 1 1 103 103 TYR HD1 H 1 6.65 0.02 . 1 . . . . . . . . 4964 1 1271 . 1 1 103 103 TYR HD2 H 1 6.65 0.02 . 1 . . . . . . . . 4964 1 1272 . 1 1 103 103 TYR HE1 H 1 6.49 0.02 . 1 . . . . . . . . 4964 1 1273 . 1 1 103 103 TYR HE2 H 1 6.49 0.02 . 1 . . . . . . . . 4964 1 1274 . 1 1 103 103 TYR CD1 C 13 132.2 0.2 . 1 . . . . . . . . 4964 1 1275 . 1 1 103 103 TYR CD2 C 13 132.2 0.2 . 1 . . . . . . . . 4964 1 1276 . 1 1 103 103 TYR CE1 C 13 117.5 0.2 . 1 . . . . . . . . 4964 1 1277 . 1 1 103 103 TYR CE2 C 13 117.5 0.2 . 1 . . . . . . . . 4964 1 1278 . 1 1 103 103 TYR C C 13 173.8 0.2 . 1 . . . . . . . . 4964 1 1279 . 1 1 104 104 GLN N N 15 124.0 0.2 . 1 . . . . . . . . 4964 1 1280 . 1 1 104 104 GLN H H 1 7.35 0.02 . 1 . . . . . . . . 4964 1 1281 . 1 1 104 104 GLN CA C 13 57.8 0.2 . 1 . . . . . . . . 4964 1 1282 . 1 1 104 104 GLN HA H 1 4.17 0.02 . 1 . . . . . . . . 4964 1 1283 . 1 1 104 104 GLN CB C 13 27.5 0.2 . 1 . . . . . . . . 4964 1 1284 . 1 1 104 104 GLN HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4964 1 1285 . 1 1 104 104 GLN HB3 H 1 2.04 0.02 . 1 . . . . . . . . 4964 1 1286 . 1 1 104 104 GLN CG C 13 33.5 0.2 . 1 . . . . . . . . 4964 1 1287 . 1 1 104 104 GLN HG2 H 1 2.37 0.02 . 1 . . . . . . . . 4964 1 1288 . 1 1 104 104 GLN HG3 H 1 2.50 0.02 . 1 . . . . . . . . 4964 1 1289 . 1 1 104 104 GLN NE2 N 15 116.4 0.2 . 1 . . . . . . . . 4964 1 1290 . 1 1 104 104 GLN HE21 H 1 7.55 0.02 . 1 . . . . . . . . 4964 1 1291 . 1 1 104 104 GLN HE22 H 1 6.88 0.02 . 1 . . . . . . . . 4964 1 1292 . 1 1 104 104 GLN C C 13 176.8 0.2 . 1 . . . . . . . . 4964 1 1293 . 1 1 105 105 THR N N 15 118.6 0.2 . 1 . . . . . . . . 4964 1 1294 . 1 1 105 105 THR H H 1 9.88 0.02 . 1 . . . . . . . . 4964 1 1295 . 1 1 105 105 THR CA C 13 60.0 0.2 . 1 . . . . . . . . 4964 1 1296 . 1 1 105 105 THR HA H 1 4.58 0.02 . 1 . . . . . . . . 4964 1 1297 . 1 1 105 105 THR CB C 13 71.9 0.2 . 1 . . . . . . . . 4964 1 1298 . 1 1 105 105 THR HB H 1 4.06 0.02 . 1 . . . . . . . . 4964 1 1299 . 1 1 105 105 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 4964 1 1300 . 1 1 105 105 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 4964 1 1301 . 1 1 105 105 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 4964 1 1302 . 1 1 105 105 THR CG2 C 13 21.1 0.2 . 1 . . . . . . . . 4964 1 1303 . 1 1 105 105 THR C C 13 172.5 0.2 . 1 . . . . . . . . 4964 1 1304 . 1 1 106 106 PHE N N 15 121.8 0.2 . 1 . . . . . . . . 4964 1 1305 . 1 1 106 106 PHE H H 1 8.63 0.02 . 1 . . . . . . . . 4964 1 1306 . 1 1 106 106 PHE CA C 13 55.5 0.2 . 1 . . . . . . . . 4964 1 1307 . 1 1 106 106 PHE HA H 1 5.76 0.02 . 1 . . . . . . . . 4964 1 1308 . 1 1 106 106 PHE CB C 13 43.7 0.2 . 1 . . . . . . . . 4964 1 1309 . 1 1 106 106 PHE HB2 H 1 2.71 0.02 . 1 . . . . . . . . 4964 1 1310 . 1 1 106 106 PHE HB3 H 1 2.91 0.02 . 1 . . . . . . . . 4964 1 1311 . 1 1 106 106 PHE HD1 H 1 6.83 0.02 . 1 . . . . . . . . 4964 1 1312 . 1 1 106 106 PHE HD2 H 1 6.83 0.02 . 1 . . . . . . . . 4964 1 1313 . 1 1 106 106 PHE HE1 H 1 6.96 0.02 . 1 . . . . . . . . 4964 1 1314 . 1 1 106 106 PHE HE2 H 1 6.96 0.02 . 1 . . . . . . . . 4964 1 1315 . 1 1 106 106 PHE CD1 C 13 131.1 0.2 . 1 . . . . . . . . 4964 1 1316 . 1 1 106 106 PHE CD2 C 13 131.1 0.2 . 1 . . . . . . . . 4964 1 1317 . 1 1 106 106 PHE CE1 C 13 129.7 0.2 . 1 . . . . . . . . 4964 1 1318 . 1 1 106 106 PHE CE2 C 13 129.7 0.2 . 1 . . . . . . . . 4964 1 1319 . 1 1 106 106 PHE CZ C 13 127.7 0.2 . 1 . . . . . . . . 4964 1 1320 . 1 1 106 106 PHE HZ H 1 7.20 0.02 . 1 . . . . . . . . 4964 1 1321 . 1 1 106 106 PHE C C 13 175.8 0.2 . 1 . . . . . . . . 4964 1 1322 . 1 1 107 107 THR N N 15 120.2 0.2 . 1 . . . . . . . . 4964 1 1323 . 1 1 107 107 THR H H 1 9.09 0.02 . 1 . . . . . . . . 4964 1 1324 . 1 1 107 107 THR CA C 13 60.6 0.2 . 1 . . . . . . . . 4964 1 1325 . 1 1 107 107 THR HA H 1 4.70 0.02 . 1 . . . . . . . . 4964 1 1326 . 1 1 107 107 THR CB C 13 71.4 0.2 . 1 . . . . . . . . 4964 1 1327 . 1 1 107 107 THR HB H 1 3.75 0.02 . 1 . . . . . . . . 4964 1 1328 . 1 1 107 107 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 4964 1 1329 . 1 1 107 107 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 4964 1 1330 . 1 1 107 107 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 4964 1 1331 . 1 1 107 107 THR CG2 C 13 20.3 0.2 . 1 . . . . . . . . 4964 1 1332 . 1 1 107 107 THR C C 13 172.5 0.2 . 1 . . . . . . . . 4964 1 1333 . 1 1 108 108 LYS N N 15 134.3 0.2 . 1 . . . . . . . . 4964 1 1334 . 1 1 108 108 LYS H H 1 8.96 0.02 . 1 . . . . . . . . 4964 1 1335 . 1 1 108 108 LYS CA C 13 57.4 0.2 . 1 . . . . . . . . 4964 1 1336 . 1 1 108 108 LYS HA H 1 3.21 0.02 . 1 . . . . . . . . 4964 1 1337 . 1 1 108 108 LYS CB C 13 32.4 0.2 . 1 . . . . . . . . 4964 1 1338 . 1 1 108 108 LYS HB2 H 1 1.18 0.02 . 1 . . . . . . . . 4964 1 1339 . 1 1 108 108 LYS HB3 H 1 1.63 0.02 . 1 . . . . . . . . 4964 1 1340 . 1 1 108 108 LYS CG C 13 24.2 0.2 . 1 . . . . . . . . 4964 1 1341 . 1 1 108 108 LYS HG2 H 1 1.06 0.02 . 1 . . . . . . . . 4964 1 1342 . 1 1 108 108 LYS HG3 H 1 0.81 0.02 . 1 . . . . . . . . 4964 1 1343 . 1 1 108 108 LYS CD C 13 28.7 0.2 . 1 . . . . . . . . 4964 1 1344 . 1 1 108 108 LYS HD2 H 1 1.54 0.02 . 1 . . . . . . . . 4964 1 1345 . 1 1 108 108 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 4964 1 1346 . 1 1 108 108 LYS CE C 13 41.3 0.2 . 1 . . . . . . . . 4964 1 1347 . 1 1 108 108 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 4964 1 1348 . 1 1 108 108 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 4964 1 1349 . 1 1 108 108 LYS C C 13 175.9 0.2 . 1 . . . . . . . . 4964 1 1350 . 1 1 109 109 ILE N N 15 126.2 0.2 . 1 . . . . . . . . 4964 1 1351 . 1 1 109 109 ILE H H 1 8.97 0.02 . 1 . . . . . . . . 4964 1 1352 . 1 1 109 109 ILE CA C 13 61.7 0.2 . 1 . . . . . . . . 4964 1 1353 . 1 1 109 109 ILE HA H 1 4.53 0.02 . 1 . . . . . . . . 4964 1 1354 . 1 1 109 109 ILE CB C 13 38.8 0.2 . 1 . . . . . . . . 4964 1 1355 . 1 1 109 109 ILE HB H 1 1.87 0.02 . 1 . . . . . . . . 4964 1 1356 . 1 1 109 109 ILE HG21 H 1 0.80 0.02 . 1 . . . . . . . . 4964 1 1357 . 1 1 109 109 ILE HG22 H 1 0.80 0.02 . 1 . . . . . . . . 4964 1 1358 . 1 1 109 109 ILE HG23 H 1 0.80 0.02 . 1 . . . . . . . . 4964 1 1359 . 1 1 109 109 ILE CG2 C 13 16.9 0.2 . 1 . . . . . . . . 4964 1 1360 . 1 1 109 109 ILE CG1 C 13 26.2 0.2 . 1 . . . . . . . . 4964 1 1361 . 1 1 109 109 ILE HG12 H 1 0.82 0.02 . 1 . . . . . . . . 4964 1 1362 . 1 1 109 109 ILE HG13 H 1 1.33 0.02 . 1 . . . . . . . . 4964 1 1363 . 1 1 109 109 ILE CD1 C 13 12.5 0.2 . 1 . . . . . . . . 4964 1 1364 . 1 1 109 109 ILE HD11 H 1 0.82 0.02 . 1 . . . . . . . . 4964 1 1365 . 1 1 109 109 ILE HD12 H 1 0.82 0.02 . 1 . . . . . . . . 4964 1 1366 . 1 1 109 109 ILE HD13 H 1 0.82 0.02 . 1 . . . . . . . . 4964 1 1367 . 1 1 109 109 ILE C C 13 175.5 0.2 . 1 . . . . . . . . 4964 1 1368 . 1 1 110 110 ARG N N 15 131.2 0.2 . 1 . . . . . . . . 4964 1 1369 . 1 1 110 110 ARG H H 1 8.21 0.02 . 1 . . . . . . . . 4964 1 1370 . 1 1 110 110 ARG CA C 13 56.2 0.2 . 1 . . . . . . . . 4964 1 1371 . 1 1 110 110 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 4964 1 1372 . 1 1 110 110 ARG CB C 13 32.3 0.2 . 1 . . . . . . . . 4964 1 1373 . 1 1 110 110 ARG HB2 H 1 1.76 0.02 . 1 . . . . . . . . 4964 1 1374 . 1 1 110 110 ARG HB3 H 1 2.03 0.02 . 1 . . . . . . . . 4964 1 1375 . 1 1 110 110 ARG CG C 13 26.7 0.2 . 1 . . . . . . . . 4964 1 1376 . 1 1 110 110 ARG HG2 H 1 1.56 0.02 . 1 . . . . . . . . 4964 1 1377 . 1 1 110 110 ARG HG3 H 1 1.49 0.02 . 1 . . . . . . . . 4964 1 1378 . 1 1 110 110 ARG CD C 13 42.2 0.2 . 1 . . . . . . . . 4964 1 1379 . 1 1 110 110 ARG HD2 H 1 3.24 0.02 . 1 . . . . . . . . 4964 1 1380 . 1 1 110 110 ARG HD3 H 1 3.64 0.02 . 1 . . . . . . . . 4964 1 1381 . 1 1 110 110 ARG NE N 15 88.0 0.2 . 1 . . . . . . . . 4964 1 1382 . 1 1 110 110 ARG HE H 1 7.13 0.02 . 1 . . . . . . . . 4964 1 1383 . 1 1 110 110 ARG CZ C 13 159.3 0.2 . 1 . . . . . . . . 4964 1 stop_ save_