data_975 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 975 _Entry.Title ; Sequential Assignment of the 1H Nuclear Magnetic Resonance Spectrum of Barnase ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mark Bycroft . . . 975 2 Richard Sheppard . N. . 975 3 Frankie Lau . Tat-Kwong . 975 4 Alan Fersht . R. . 975 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 975 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 616 975 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 5 . . 2010-06-11 . revision BMRB 'Complete natural source information' 975 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 975 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 975 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 975 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 975 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 975 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bycroft, Mark, Sheppard, Richard N., Lau, Frankie Tat-Kwong, Fersht, Alan R., "Sequential Assignment of the 1H Nuclear Magnetic Resonance Spectrum of Barnase," Biochemistry 29, 7425-7432 (1990). ; _Citation.Title 'Sequential Assignment of the 1H Nuclear Magnetic Resonance Spectrum of Barnase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 29 _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 7425 _Citation.Page_last 7432 _Citation.Year 1990 _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 Mark Bycroft . . . 975 1 2 Richard Sheppard . N. . 975 1 3 Frankie Lau . Tat-Kwong . 975 1 4 Alan Fersht . R. . 975 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_barnase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_barnase _Assembly.Entry_ID 975 _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 barnase 1 $barnase . . . . . . . . . 975 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID barnase system 975 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_barnase _Entity.Sf_category entity _Entity.Sf_framecode barnase _Entity.Entry_ID 975 _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 ; AQVINTFDGVADYLQTYHKL PDNYITKSEAQALGWVASKG NLADVAPGKSIGGDIFSNRE GKLPGKSGRTWREADINYTS GFRNSDRILYSSDWLIYKTT DHYQTFTKIR ; _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 . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.1.27.3 _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 . . . . 975 1 2 no BMRB 16170 . barnase . . . . . 98.18 108 99.07 99.07 2.74e-71 . . . . 975 1 3 no BMRB 16171 . barnase . . . . . 98.18 108 99.07 99.07 2.74e-71 . . . . 975 1 4 no BMRB 16172 . barnase . . . . . 98.18 108 99.07 99.07 2.74e-71 . . . . 975 1 5 no BMRB 2066 . barnase . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 1 6 no BMRB 2067 . barnase . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 1 7 no BMRB 2070 . barnase . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 1 8 no BMRB 4964 . barnase . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 1 9 no BMRB 7139 . barnase . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 1 10 no PDB 1A2P . "Barnase Wildtype Structure At 1.5 Angstroms Resolution" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 1 11 no PDB 1B20 . "Deletion Of A Buried Salt-Bridge In Barnase" . . . . . 100.00 110 99.09 99.09 2.85e-73 . . . . 975 1 12 no PDB 1B21 . "Deletion Of A Buried Salt Bridge In Barnase" . . . . . 100.00 110 98.18 99.09 1.03e-72 . . . . 975 1 13 no PDB 1B27 . "Structural Response To Mutation At A Protein-Protein Interface" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 1 14 no PDB 1B2S . "Structural Response To Mutation At A Protein-Protein Interface" . . . . . 100.00 110 99.09 99.09 1.97e-73 . . . . 975 1 15 no PDB 1B2U . "Structural Response To Mutation At A Protein-Protein Interface" . . . . . 100.00 110 99.09 99.09 1.97e-73 . . . . 975 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 . . . . 975 1 17 no PDB 1B2Z . "Deletion Of A Buried Salt Bridge In Barnase" . . . . . 100.00 110 99.09 100.00 1.42e-73 . . . . 975 1 18 no PDB 1B3S . "Structural Response To Mutation At A Protein-Protein Interface" . . . . . 100.00 110 99.09 99.09 6.19e-73 . . . . 975 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 . . . . 975 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 . . . . 975 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 . . . . 975 1 22 no PDB 1BNE . "Barnase A43cS80C DISULFIDE MUTANT" . . . . . 100.00 110 98.18 98.18 2.82e-73 . . . . 975 1 23 no PDB 1BNF . "Barnase T70cS92C DISULFIDE MUTANT" . . . . . 100.00 110 98.18 98.18 3.18e-73 . . . . 975 1 24 no PDB 1BNG . "Barnase S85cH102C DISULFIDE MUTANT" . . . . . 100.00 110 98.18 98.18 1.95e-72 . . . . 975 1 25 no PDB 1BNI . "Barnase Wildtype Structure At Ph 6.0" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 1 26 no PDB 1BNJ . "Barnase Wildtype Structure At Ph 9.0" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 1 27 no PDB 1BNR . Barnase . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 1 28 no PDB 1BNS . "Structural Studies Of Barnase Mutants" . . . . . 100.00 110 99.09 99.09 1.52e-73 . . . . 975 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 . . . . 975 1 30 no PDB 1BRH . "Barnase Mutant With Leu 14 Replaced By Ala" . . . . . 100.00 110 99.09 99.09 1.91e-73 . . . . 975 1 31 no PDB 1BRI . "Barnase Mutant With Ile 76 Replaced By Ala" . . . . . 100.00 110 99.09 99.09 1.77e-73 . . . . 975 1 32 no PDB 1BRJ . "Barnase Mutant With Ile 88 Replaced By Ala" . . . . . 100.00 110 99.09 99.09 1.77e-73 . . . . 975 1 33 no PDB 1BRK . "Barnase Mutant With Ile 96 Replaced By Ala" . . . . . 100.00 110 99.09 99.09 1.77e-73 . . . . 975 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 . . . . 975 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 . . . . 975 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 . . . . 975 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 . . . . 975 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 . . . . 975 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 . . . . 975 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 . . . . 975 1 41 no PDB 1FW7 . "Nmr Structure Of 15n-Labeled Barnase" . . . . . 99.09 110 100.00 100.00 1.88e-73 . . . . 975 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 . . . . 975 1 43 no PDB 1X1U . "Water-Mediate Interaction At Aprotein-Protein Interface" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 1 44 no PDB 1X1W . "Water-Mediate Interaction At Aprotein-Protein Interface" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 1 45 no PDB 1X1X . "Water-Mediate Interaction At Aprotein-Protein Interface" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 1 46 no PDB 1X1Y . "Water-Mediate Interaction At Aprotein-Protein Interface" . . . . . 100.00 110 99.09 99.09 2.92e-73 . . . . 975 1 47 no PDB 1YVS . "Trimeric Domain Swapped Barnase" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 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 . . . . 975 1 49 no PDB 2F4Y . "Barnase Cross-Linked With Glutaraldehyde" . . . . . 98.18 108 100.00 100.00 1.23e-72 . . . . 975 1 50 no PDB 2F56 . "Barnase Cross-Linked With Glutaraldehyde Soaked In 6m Urea" . . . . . 98.18 108 100.00 100.00 1.23e-72 . . . . 975 1 51 no PDB 2F5M . "Cross-Linked Barnase Soaked In Bromo-Ethanol" . . . . . 98.18 108 100.00 100.00 1.23e-72 . . . . 975 1 52 no PDB 2F5W . "Cross-Linked Barnase Soaked In 3 M Thiourea" . . . . . 98.18 108 100.00 100.00 1.23e-72 . . . . 975 1 53 no PDB 2KF3 . "Barnase, Low Pressure Reference Nmr Structure" . . . . . 100.00 110 99.09 99.09 6.19e-73 . . . . 975 1 54 no PDB 2KF4 . "Barnase High Pressure Structure" . . . . . 100.00 110 99.09 99.09 6.19e-73 . . . . 975 1 55 no PDB 2KF5 . "Barnase Bound To D(Cgac), Low Pressure" . . . . . 100.00 110 99.09 99.09 6.19e-73 . . . . 975 1 56 no PDB 2KF6 . "Barnase Bound To D(Cgac) High Pressure" . . . . . 100.00 110 99.09 99.09 6.19e-73 . . . . 975 1 57 no PDB 2ZA4 . "Crystal Structural Analysis Of Barnase-barstar Complex" . . . . . 100.00 110 99.09 99.09 1.97e-73 . . . . 975 1 58 no PDB 3KCH . "Baranase Crosslinked By Glutaraldehyde" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 1 59 no EMBL CAA31365 . "barnase [Bacillus amyloliquefaciens]" . . . . . 100.00 110 100.00 100.00 4.04e-74 . . . . 975 1 60 no EMBL CBI44445 . "putative ribonuclease RBAM_031940 [Bacillus amyloliquefaciens DSM 7]" . . . . . 100.00 157 100.00 100.00 4.01e-75 . . . . 975 1 61 no EMBL CCF06756 . "Ribonuclease Barnase [Bacillus amyloliquefaciens subsp. plantarum CAU B946]" . . . . . 100.00 157 98.18 99.09 2.24e-73 . . . . 975 1 62 no EMBL CCG51396 . "Ribonuclease Barnase [Bacillus amyloliquefaciens subsp. plantarum YAU B9601-Y2]" . . . . . 100.00 157 97.27 99.09 3.14e-73 . . . . 975 1 63 no EMBL CDG27389 . "Ribonuclease [Bacillus amyloliquefaciens subsp. plantarum UCMB5113]" . . . . . 100.00 149 98.18 99.09 6.56e-74 . . . . 975 1 64 no GB AAA86441 . "barnase (RNase) precursor [Bacillus amyloliquefaciens]" . . . . . 100.00 149 100.00 100.00 4.06e-75 . . . . 975 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 . . . . 975 1 66 no GB AAB29635 . "RNase=extracellular ribonuclease [Bacillus circulans, Peptide, 110 aa]" . . . . . 100.00 110 97.27 98.18 7.87e-72 . . . . 975 1 67 no GB AAC53661 . "barnase [synthetic construct]" . . . . . 100.00 111 100.00 100.00 2.55e-74 . . . . 975 1 68 no GB AAP41137 . "barnase ribonuclease precursor [Cloning vector pHRBar-6]" . . . . . 100.00 131 100.00 100.00 1.33e-74 . . . . 975 1 69 no PRF 1204204A . barnase . . . . . 100.00 157 100.00 100.00 3.19e-75 . . . . 975 1 70 no PRF 2004243A . RNase . . . . . 100.00 110 97.27 98.18 7.87e-72 . . . . 975 1 71 no PRF 721946A . RNase . . . . . 100.00 110 98.18 100.00 1.00e-72 . . . . 975 1 72 no REF WP_003151497 . "ribonuclease [Bacillus amyloliquefaciens]" . . . . . 100.00 157 98.18 99.09 2.24e-73 . . . . 975 1 73 no REF WP_007407419 . "MULTISPECIES: ribonuclease [Bacillales]" . . . . . 100.00 157 97.27 99.09 3.14e-73 . . . . 975 1 74 no REF WP_012118533 . "ribonuclease [Bacillus amyloliquefaciens]" . . . . . 100.00 149 97.27 99.09 2.86e-73 . . . . 975 1 75 no REF WP_013353722 . "ribonuclease [Bacillus amyloliquefaciens]" . . . . . 100.00 157 100.00 100.00 4.01e-75 . . . . 975 1 76 no REF WP_014472289 . "ribonuclease [Bacillus amyloliquefaciens]" . . . . . 100.00 164 100.00 100.00 3.74e-75 . . . . 975 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 . . . . 975 1 78 no SP P35078 . "RecName: Full=Ribonuclease; AltName: Full=RNase Bci [Bacillus circulans]" . . . . . 100.00 110 97.27 98.18 7.87e-72 . . . . 975 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID barnase common 975 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 . 975 1 2 . GLN . 975 1 3 . VAL . 975 1 4 . ILE . 975 1 5 . ASN . 975 1 6 . THR . 975 1 7 . PHE . 975 1 8 . ASP . 975 1 9 . GLY . 975 1 10 . VAL . 975 1 11 . ALA . 975 1 12 . ASP . 975 1 13 . TYR . 975 1 14 . LEU . 975 1 15 . GLN . 975 1 16 . THR . 975 1 17 . TYR . 975 1 18 . HIS . 975 1 19 . LYS . 975 1 20 . LEU . 975 1 21 . PRO . 975 1 22 . ASP . 975 1 23 . ASN . 975 1 24 . TYR . 975 1 25 . ILE . 975 1 26 . THR . 975 1 27 . LYS . 975 1 28 . SER . 975 1 29 . GLU . 975 1 30 . ALA . 975 1 31 . GLN . 975 1 32 . ALA . 975 1 33 . LEU . 975 1 34 . GLY . 975 1 35 . TRP . 975 1 36 . VAL . 975 1 37 . ALA . 975 1 38 . SER . 975 1 39 . LYS . 975 1 40 . GLY . 975 1 41 . ASN . 975 1 42 . LEU . 975 1 43 . ALA . 975 1 44 . ASP . 975 1 45 . VAL . 975 1 46 . ALA . 975 1 47 . PRO . 975 1 48 . GLY . 975 1 49 . LYS . 975 1 50 . SER . 975 1 51 . ILE . 975 1 52 . GLY . 975 1 53 . GLY . 975 1 54 . ASP . 975 1 55 . ILE . 975 1 56 . PHE . 975 1 57 . SER . 975 1 58 . ASN . 975 1 59 . ARG . 975 1 60 . GLU . 975 1 61 . GLY . 975 1 62 . LYS . 975 1 63 . LEU . 975 1 64 . PRO . 975 1 65 . GLY . 975 1 66 . LYS . 975 1 67 . SER . 975 1 68 . GLY . 975 1 69 . ARG . 975 1 70 . THR . 975 1 71 . TRP . 975 1 72 . ARG . 975 1 73 . GLU . 975 1 74 . ALA . 975 1 75 . ASP . 975 1 76 . ILE . 975 1 77 . ASN . 975 1 78 . TYR . 975 1 79 . THR . 975 1 80 . SER . 975 1 81 . GLY . 975 1 82 . PHE . 975 1 83 . ARG . 975 1 84 . ASN . 975 1 85 . SER . 975 1 86 . ASP . 975 1 87 . ARG . 975 1 88 . ILE . 975 1 89 . LEU . 975 1 90 . TYR . 975 1 91 . SER . 975 1 92 . SER . 975 1 93 . ASP . 975 1 94 . TRP . 975 1 95 . LEU . 975 1 96 . ILE . 975 1 97 . TYR . 975 1 98 . LYS . 975 1 99 . THR . 975 1 100 . THR . 975 1 101 . ASP . 975 1 102 . HIS . 975 1 103 . TYR . 975 1 104 . GLN . 975 1 105 . THR . 975 1 106 . PHE . 975 1 107 . THR . 975 1 108 . LYS . 975 1 109 . ILE . 975 1 110 . ARG . 975 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 1 975 1 . GLN 2 2 975 1 . VAL 3 3 975 1 . ILE 4 4 975 1 . ASN 5 5 975 1 . THR 6 6 975 1 . PHE 7 7 975 1 . ASP 8 8 975 1 . GLY 9 9 975 1 . VAL 10 10 975 1 . ALA 11 11 975 1 . ASP 12 12 975 1 . TYR 13 13 975 1 . LEU 14 14 975 1 . GLN 15 15 975 1 . THR 16 16 975 1 . TYR 17 17 975 1 . HIS 18 18 975 1 . LYS 19 19 975 1 . LEU 20 20 975 1 . PRO 21 21 975 1 . ASP 22 22 975 1 . ASN 23 23 975 1 . TYR 24 24 975 1 . ILE 25 25 975 1 . THR 26 26 975 1 . LYS 27 27 975 1 . SER 28 28 975 1 . GLU 29 29 975 1 . ALA 30 30 975 1 . GLN 31 31 975 1 . ALA 32 32 975 1 . LEU 33 33 975 1 . GLY 34 34 975 1 . TRP 35 35 975 1 . VAL 36 36 975 1 . ALA 37 37 975 1 . SER 38 38 975 1 . LYS 39 39 975 1 . GLY 40 40 975 1 . ASN 41 41 975 1 . LEU 42 42 975 1 . ALA 43 43 975 1 . ASP 44 44 975 1 . VAL 45 45 975 1 . ALA 46 46 975 1 . PRO 47 47 975 1 . GLY 48 48 975 1 . LYS 49 49 975 1 . SER 50 50 975 1 . ILE 51 51 975 1 . GLY 52 52 975 1 . GLY 53 53 975 1 . ASP 54 54 975 1 . ILE 55 55 975 1 . PHE 56 56 975 1 . SER 57 57 975 1 . ASN 58 58 975 1 . ARG 59 59 975 1 . GLU 60 60 975 1 . GLY 61 61 975 1 . LYS 62 62 975 1 . LEU 63 63 975 1 . PRO 64 64 975 1 . GLY 65 65 975 1 . LYS 66 66 975 1 . SER 67 67 975 1 . GLY 68 68 975 1 . ARG 69 69 975 1 . THR 70 70 975 1 . TRP 71 71 975 1 . ARG 72 72 975 1 . GLU 73 73 975 1 . ALA 74 74 975 1 . ASP 75 75 975 1 . ILE 76 76 975 1 . ASN 77 77 975 1 . TYR 78 78 975 1 . THR 79 79 975 1 . SER 80 80 975 1 . GLY 81 81 975 1 . PHE 82 82 975 1 . ARG 83 83 975 1 . ASN 84 84 975 1 . SER 85 85 975 1 . ASP 86 86 975 1 . ARG 87 87 975 1 . ILE 88 88 975 1 . LEU 89 89 975 1 . TYR 90 90 975 1 . SER 91 91 975 1 . SER 92 92 975 1 . ASP 93 93 975 1 . TRP 94 94 975 1 . LEU 95 95 975 1 . ILE 96 96 975 1 . TYR 97 97 975 1 . LYS 98 98 975 1 . THR 99 99 975 1 . THR 100 100 975 1 . ASP 101 101 975 1 . HIS 102 102 975 1 . TYR 103 103 975 1 . GLN 104 104 975 1 . THR 105 105 975 1 . PHE 106 106 975 1 . THR 107 107 975 1 . LYS 108 108 975 1 . ILE 109 109 975 1 . ARG 110 110 975 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 975 _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' . . . Bacteria . Bacillus amyloliquefaciens generic . . . . . . . . . . . . . . . . . . . . 975 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 975 _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 . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 975 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 975 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 975 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 . na 975 1 temperature 310 . K 975 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 975 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 975 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 975 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 975 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 975 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 975 _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 . DSS . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 975 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 975 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 975 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 HA H 1 4.07 . . 1 . . . . . . . . 975 1 2 . 1 1 1 1 ALA HB1 H 1 1.61 . . 1 . . . . . . . . 975 1 3 . 1 1 1 1 ALA HB2 H 1 1.61 . . 1 . . . . . . . . 975 1 4 . 1 1 1 1 ALA HB3 H 1 1.61 . . 1 . . . . . . . . 975 1 5 . 1 1 2 2 GLN H H 1 8.67 . . 1 . . . . . . . . 975 1 6 . 1 1 2 2 GLN HA H 1 4.45 . . 1 . . . . . . . . 975 1 7 . 1 1 2 2 GLN HB2 H 1 2.38 . . 2 . . . . . . . . 975 1 8 . 1 1 2 2 GLN HB3 H 1 2.05 . . 2 . . . . . . . . 975 1 9 . 1 1 3 3 VAL H H 1 8.3 . . 1 . . . . . . . . 975 1 10 . 1 1 3 3 VAL HA H 1 3.94 . . 1 . . . . . . . . 975 1 11 . 1 1 3 3 VAL HB H 1 1.91 . . 1 . . . . . . . . 975 1 12 . 1 1 3 3 VAL HG11 H 1 .9 . . 2 . . . . . . . . 975 1 13 . 1 1 3 3 VAL HG12 H 1 .9 . . 2 . . . . . . . . 975 1 14 . 1 1 3 3 VAL HG13 H 1 .9 . . 2 . . . . . . . . 975 1 15 . 1 1 3 3 VAL HG21 H 1 .76 . . 2 . . . . . . . . 975 1 16 . 1 1 3 3 VAL HG22 H 1 .76 . . 2 . . . . . . . . 975 1 17 . 1 1 3 3 VAL HG23 H 1 .76 . . 2 . . . . . . . . 975 1 18 . 1 1 4 4 ILE H H 1 7.89 . . 1 . . . . . . . . 975 1 19 . 1 1 4 4 ILE HA H 1 4.31 . . 1 . . . . . . . . 975 1 20 . 1 1 4 4 ILE HB H 1 1.77 . . 1 . . . . . . . . 975 1 21 . 1 1 4 4 ILE HG21 H 1 .82 . . 1 . . . . . . . . 975 1 22 . 1 1 4 4 ILE HG22 H 1 .82 . . 1 . . . . . . . . 975 1 23 . 1 1 4 4 ILE HG23 H 1 .82 . . 1 . . . . . . . . 975 1 24 . 1 1 5 5 ASN H H 1 8.12 . . 1 . . . . . . . . 975 1 25 . 1 1 5 5 ASN HA H 1 5.09 . . 1 . . . . . . . . 975 1 26 . 1 1 5 5 ASN HB2 H 1 3.88 . . 2 . . . . . . . . 975 1 27 . 1 1 5 5 ASN HB3 H 1 3.43 . . 2 . . . . . . . . 975 1 28 . 1 1 6 6 THR H H 1 7.96 . . 1 . . . . . . . . 975 1 29 . 1 1 6 6 THR HA H 1 4.66 . . 1 . . . . . . . . 975 1 30 . 1 1 6 6 THR HB H 1 4.82 . . 1 . . . . . . . . 975 1 31 . 1 1 6 6 THR HG21 H 1 1.4 . . 1 . . . . . . . . 975 1 32 . 1 1 6 6 THR HG22 H 1 1.4 . . 1 . . . . . . . . 975 1 33 . 1 1 6 6 THR HG23 H 1 1.4 . . 1 . . . . . . . . 975 1 34 . 1 1 7 7 PHE H H 1 8.97 . . 1 . . . . . . . . 975 1 35 . 1 1 7 7 PHE HA H 1 4.13 . . 1 . . . . . . . . 975 1 36 . 1 1 7 7 PHE HB2 H 1 3.77 . . 2 . . . . . . . . 975 1 37 . 1 1 7 7 PHE HB3 H 1 3.09 . . 2 . . . . . . . . 975 1 38 . 1 1 8 8 ASP H H 1 8.71 . . 1 . . . . . . . . 975 1 39 . 1 1 8 8 ASP HA H 1 4.46 . . 1 . . . . . . . . 975 1 40 . 1 1 8 8 ASP HB2 H 1 2.79 . . 2 . . . . . . . . 975 1 41 . 1 1 8 8 ASP HB3 H 1 2.61 . . 2 . . . . . . . . 975 1 42 . 1 1 9 9 GLY H H 1 8 . . 1 . . . . . . . . 975 1 43 . 1 1 9 9 GLY HA2 H 1 3.98 . . 2 . . . . . . . . 975 1 44 . 1 1 9 9 GLY HA3 H 1 3.78 . . 2 . . . . . . . . 975 1 45 . 1 1 10 10 VAL H H 1 8.96 . . 1 . . . . . . . . 975 1 46 . 1 1 10 10 VAL HA H 1 3.63 . . 1 . . . . . . . . 975 1 47 . 1 1 10 10 VAL HB H 1 2 . . 1 . . . . . . . . 975 1 48 . 1 1 10 10 VAL HG11 H 1 1.2 . . 2 . . . . . . . . 975 1 49 . 1 1 10 10 VAL HG12 H 1 1.2 . . 2 . . . . . . . . 975 1 50 . 1 1 10 10 VAL HG13 H 1 1.2 . . 2 . . . . . . . . 975 1 51 . 1 1 10 10 VAL HG21 H 1 .76 . . 2 . . . . . . . . 975 1 52 . 1 1 10 10 VAL HG22 H 1 .76 . . 2 . . . . . . . . 975 1 53 . 1 1 10 10 VAL HG23 H 1 .76 . . 2 . . . . . . . . 975 1 54 . 1 1 11 11 ALA H H 1 8.37 . . 1 . . . . . . . . 975 1 55 . 1 1 11 11 ALA HA H 1 4.09 . . 1 . . . . . . . . 975 1 56 . 1 1 11 11 ALA HB1 H 1 1.63 . . 1 . . . . . . . . 975 1 57 . 1 1 11 11 ALA HB2 H 1 1.63 . . 1 . . . . . . . . 975 1 58 . 1 1 11 11 ALA HB3 H 1 1.63 . . 1 . . . . . . . . 975 1 59 . 1 1 12 12 ASP H H 1 8.2 . . 1 . . . . . . . . 975 1 60 . 1 1 12 12 ASP HA H 1 4.5 . . 1 . . . . . . . . 975 1 61 . 1 1 12 12 ASP HB2 H 1 2.96 . . 2 . . . . . . . . 975 1 62 . 1 1 12 12 ASP HB3 H 1 2.8 . . 2 . . . . . . . . 975 1 63 . 1 1 13 13 TYR H H 1 8.14 . . 1 . . . . . . . . 975 1 64 . 1 1 13 13 TYR HA H 1 4.15 . . 1 . . . . . . . . 975 1 65 . 1 1 13 13 TYR HB2 H 1 3.29 . . 2 . . . . . . . . 975 1 66 . 1 1 13 13 TYR HB3 H 1 3.19 . . 2 . . . . . . . . 975 1 67 . 1 1 13 13 TYR HD1 H 1 7.48 . . 1 . . . . . . . . 975 1 68 . 1 1 13 13 TYR HD2 H 1 7.48 . . 1 . . . . . . . . 975 1 69 . 1 1 13 13 TYR HE1 H 1 6.5 . . 1 . . . . . . . . 975 1 70 . 1 1 13 13 TYR HE2 H 1 6.5 . . 1 . . . . . . . . 975 1 71 . 1 1 14 14 LEU H H 1 9.18 . . 1 . . . . . . . . 975 1 72 . 1 1 14 14 LEU HA H 1 4 . . 1 . . . . . . . . 975 1 73 . 1 1 14 14 LEU HB2 H 1 2.28 . . 2 . . . . . . . . 975 1 74 . 1 1 14 14 LEU HB3 H 1 2.21 . . 2 . . . . . . . . 975 1 75 . 1 1 14 14 LEU HG H 1 1.62 . . 1 . . . . . . . . 975 1 76 . 1 1 14 14 LEU HD11 H 1 .44 . . 2 . . . . . . . . 975 1 77 . 1 1 14 14 LEU HD12 H 1 .44 . . 2 . . . . . . . . 975 1 78 . 1 1 14 14 LEU HD13 H 1 .44 . . 2 . . . . . . . . 975 1 79 . 1 1 14 14 LEU HD21 H 1 .2 . . 2 . . . . . . . . 975 1 80 . 1 1 14 14 LEU HD22 H 1 .2 . . 2 . . . . . . . . 975 1 81 . 1 1 14 14 LEU HD23 H 1 .2 . . 2 . . . . . . . . 975 1 82 . 1 1 15 15 GLN H H 1 8.09 . . 1 . . . . . . . . 975 1 83 . 1 1 15 15 GLN HA H 1 3.84 . . 1 . . . . . . . . 975 1 84 . 1 1 15 15 GLN HB2 H 1 2.23 . . 2 . . . . . . . . 975 1 85 . 1 1 15 15 GLN HB3 H 1 2.15 . . 2 . . . . . . . . 975 1 86 . 1 1 16 16 THR H H 1 7.65 . . 1 . . . . . . . . 975 1 87 . 1 1 16 16 THR HA H 1 3.61 . . 1 . . . . . . . . 975 1 88 . 1 1 16 16 THR HB H 1 3.41 . . 1 . . . . . . . . 975 1 89 . 1 1 16 16 THR HG21 H 1 .16 . . 1 . . . . . . . . 975 1 90 . 1 1 16 16 THR HG22 H 1 .16 . . 1 . . . . . . . . 975 1 91 . 1 1 16 16 THR HG23 H 1 .16 . . 1 . . . . . . . . 975 1 92 . 1 1 17 17 TYR H H 1 8.47 . . 1 . . . . . . . . 975 1 93 . 1 1 17 17 TYR HA H 1 4.28 . . 1 . . . . . . . . 975 1 94 . 1 1 17 17 TYR HB2 H 1 2.88 . . 2 . . . . . . . . 975 1 95 . 1 1 17 17 TYR HB3 H 1 2.23 . . 2 . . . . . . . . 975 1 96 . 1 1 17 17 TYR HD1 H 1 6.32 . . 1 . . . . . . . . 975 1 97 . 1 1 17 17 TYR HD2 H 1 6.32 . . 1 . . . . . . . . 975 1 98 . 1 1 17 17 TYR HE1 H 1 6.58 . . 1 . . . . . . . . 975 1 99 . 1 1 17 17 TYR HE2 H 1 6.58 . . 1 . . . . . . . . 975 1 100 . 1 1 18 18 HIS H H 1 8.12 . . 1 . . . . . . . . 975 1 101 . 1 1 18 18 HIS HA H 1 3.64 . . 1 . . . . . . . . 975 1 102 . 1 1 18 18 HIS HB2 H 1 3.81 . . 2 . . . . . . . . 975 1 103 . 1 1 18 18 HIS HB3 H 1 3.2 . . 2 . . . . . . . . 975 1 104 . 1 1 18 18 HIS HD2 H 1 6.19 . . 1 . . . . . . . . 975 1 105 . 1 1 18 18 HIS HE1 H 1 8.18 . . 1 . . . . . . . . 975 1 106 . 1 1 19 19 LYS H H 1 7.5 . . 1 . . . . . . . . 975 1 107 . 1 1 19 19 LYS HA H 1 4.54 . . 1 . . . . . . . . 975 1 108 . 1 1 19 19 LYS HB2 H 1 2.3 . . 2 . . . . . . . . 975 1 109 . 1 1 19 19 LYS HB3 H 1 2.03 . . 2 . . . . . . . . 975 1 110 . 1 1 20 20 LEU H H 1 8.34 . . 1 . . . . . . . . 975 1 111 . 1 1 20 20 LEU HA H 1 4.35 . . 1 . . . . . . . . 975 1 112 . 1 1 20 20 LEU HB2 H 1 1.73 . . 2 . . . . . . . . 975 1 113 . 1 1 20 20 LEU HB3 H 1 1.35 . . 2 . . . . . . . . 975 1 114 . 1 1 20 20 LEU HG H 1 1.54 . . 1 . . . . . . . . 975 1 115 . 1 1 20 20 LEU HD11 H 1 .64 . . 2 . . . . . . . . 975 1 116 . 1 1 20 20 LEU HD12 H 1 .64 . . 2 . . . . . . . . 975 1 117 . 1 1 20 20 LEU HD13 H 1 .64 . . 2 . . . . . . . . 975 1 118 . 1 1 20 20 LEU HD21 H 1 .18 . . 2 . . . . . . . . 975 1 119 . 1 1 20 20 LEU HD22 H 1 .18 . . 2 . . . . . . . . 975 1 120 . 1 1 20 20 LEU HD23 H 1 .18 . . 2 . . . . . . . . 975 1 121 . 1 1 21 21 PRO HA H 1 4.05 . . 1 . . . . . . . . 975 1 122 . 1 1 21 21 PRO HB2 H 1 2.33 . . 2 . . . . . . . . 975 1 123 . 1 1 21 21 PRO HB3 H 1 2.21 . . 2 . . . . . . . . 975 1 124 . 1 1 21 21 PRO HG2 H 1 1.33 . . 1 . . . . . . . . 975 1 125 . 1 1 21 21 PRO HG3 H 1 1.33 . . 1 . . . . . . . . 975 1 126 . 1 1 21 21 PRO HD2 H 1 3.6 . . 2 . . . . . . . . 975 1 127 . 1 1 21 21 PRO HD3 H 1 3.4 . . 2 . . . . . . . . 975 1 128 . 1 1 22 22 ASP H H 1 8.56 . . 1 . . . . . . . . 975 1 129 . 1 1 22 22 ASP HA H 1 4.54 . . 1 . . . . . . . . 975 1 130 . 1 1 22 22 ASP HB2 H 1 2.23 . . 1 . . . . . . . . 975 1 131 . 1 1 22 22 ASP HB3 H 1 2.23 . . 1 . . . . . . . . 975 1 132 . 1 1 23 23 ASN H H 1 8.49 . . 1 . . . . . . . . 975 1 133 . 1 1 23 23 ASN HA H 1 4.56 . . 1 . . . . . . . . 975 1 134 . 1 1 23 23 ASN HB2 H 1 3.24 . . 2 . . . . . . . . 975 1 135 . 1 1 23 23 ASN HB3 H 1 2.47 . . 2 . . . . . . . . 975 1 136 . 1 1 24 24 TYR H H 1 7.4 . . 1 . . . . . . . . 975 1 137 . 1 1 24 24 TYR HA H 1 5.36 . . 1 . . . . . . . . 975 1 138 . 1 1 24 24 TYR HB2 H 1 2.78 . . 2 . . . . . . . . 975 1 139 . 1 1 24 24 TYR HB3 H 1 2.6 . . 2 . . . . . . . . 975 1 140 . 1 1 24 24 TYR HD1 H 1 6.86 . . 1 . . . . . . . . 975 1 141 . 1 1 24 24 TYR HD2 H 1 6.86 . . 1 . . . . . . . . 975 1 142 . 1 1 24 24 TYR HE1 H 1 7.25 . . 1 . . . . . . . . 975 1 143 . 1 1 24 24 TYR HE2 H 1 7.25 . . 1 . . . . . . . . 975 1 144 . 1 1 25 25 ILE H H 1 9.08 . . 1 . . . . . . . . 975 1 145 . 1 1 25 25 ILE HA H 1 4.92 . . 1 . . . . . . . . 975 1 146 . 1 1 25 25 ILE HB H 1 1.95 . . 1 . . . . . . . . 975 1 147 . 1 1 25 25 ILE HG12 H 1 1.42 . . 2 . . . . . . . . 975 1 148 . 1 1 25 25 ILE HG13 H 1 .93 . . 2 . . . . . . . . 975 1 149 . 1 1 25 25 ILE HG21 H 1 .82 . . 1 . . . . . . . . 975 1 150 . 1 1 25 25 ILE HG22 H 1 .82 . . 1 . . . . . . . . 975 1 151 . 1 1 25 25 ILE HG23 H 1 .82 . . 1 . . . . . . . . 975 1 152 . 1 1 25 25 ILE HD11 H 1 .55 . . 1 . . . . . . . . 975 1 153 . 1 1 25 25 ILE HD12 H 1 .55 . . 1 . . . . . . . . 975 1 154 . 1 1 25 25 ILE HD13 H 1 .55 . . 1 . . . . . . . . 975 1 155 . 1 1 26 26 THR H H 1 8.32 . . 1 . . . . . . . . 975 1 156 . 1 1 26 26 THR HA H 1 4.46 . . 1 . . . . . . . . 975 1 157 . 1 1 26 26 THR HB H 1 5.1 . . 1 . . . . . . . . 975 1 158 . 1 1 26 26 THR HG21 H 1 1.4 . . 1 . . . . . . . . 975 1 159 . 1 1 26 26 THR HG22 H 1 1.4 . . 1 . . . . . . . . 975 1 160 . 1 1 26 26 THR HG23 H 1 1.4 . . 1 . . . . . . . . 975 1 161 . 1 1 27 27 LYS H H 1 10.2 . . 1 . . . . . . . . 975 1 162 . 1 1 27 27 LYS HA H 1 3.98 . . 1 . . . . . . . . 975 1 163 . 1 1 27 27 LYS HB2 H 1 2.11 . . 2 . . . . . . . . 975 1 164 . 1 1 27 27 LYS HB3 H 1 2.02 . . 2 . . . . . . . . 975 1 165 . 1 1 28 28 SER H H 1 9.09 . . 1 . . . . . . . . 975 1 166 . 1 1 28 28 SER HA H 1 4.4 . . 1 . . . . . . . . 975 1 167 . 1 1 28 28 SER HB2 H 1 3.99 . . 2 . . . . . . . . 975 1 168 . 1 1 28 28 SER HB3 H 1 3.6 . . 2 . . . . . . . . 975 1 169 . 1 1 29 29 GLU H H 1 7.73 . . 1 . . . . . . . . 975 1 170 . 1 1 29 29 GLU HA H 1 4.14 . . 1 . . . . . . . . 975 1 171 . 1 1 29 29 GLU HB2 H 1 2.55 . . 2 . . . . . . . . 975 1 172 . 1 1 29 29 GLU HB3 H 1 2.45 . . 2 . . . . . . . . 975 1 173 . 1 1 30 30 ALA H H 1 8.79 . . 1 . . . . . . . . 975 1 174 . 1 1 30 30 ALA HA H 1 3.93 . . 1 . . . . . . . . 975 1 175 . 1 1 30 30 ALA HB1 H 1 1.21 . . 1 . . . . . . . . 975 1 176 . 1 1 30 30 ALA HB2 H 1 1.21 . . 1 . . . . . . . . 975 1 177 . 1 1 30 30 ALA HB3 H 1 1.21 . . 1 . . . . . . . . 975 1 178 . 1 1 31 31 GLN H H 1 9.29 . . 1 . . . . . . . . 975 1 179 . 1 1 31 31 GLN HA H 1 4.67 . . 1 . . . . . . . . 975 1 180 . 1 1 31 31 GLN HB2 H 1 2.55 . . 2 . . . . . . . . 975 1 181 . 1 1 31 31 GLN HB3 H 1 2.36 . . 2 . . . . . . . . 975 1 182 . 1 1 32 32 ALA H H 1 7.97 . . 1 . . . . . . . . 975 1 183 . 1 1 32 32 ALA HA H 1 4.32 . . 1 . . . . . . . . 975 1 184 . 1 1 32 32 ALA HB1 H 1 1.68 . . 1 . . . . . . . . 975 1 185 . 1 1 32 32 ALA HB2 H 1 1.68 . . 1 . . . . . . . . 975 1 186 . 1 1 32 32 ALA HB3 H 1 1.68 . . 1 . . . . . . . . 975 1 187 . 1 1 33 33 LEU H H 1 7.47 . . 1 . . . . . . . . 975 1 188 . 1 1 33 33 LEU HA H 1 4.45 . . 1 . . . . . . . . 975 1 189 . 1 1 33 33 LEU HB2 H 1 2.03 . . 2 . . . . . . . . 975 1 190 . 1 1 33 33 LEU HB3 H 1 1.92 . . 2 . . . . . . . . 975 1 191 . 1 1 33 33 LEU HG H 1 1.69 . . 1 . . . . . . . . 975 1 192 . 1 1 33 33 LEU HD11 H 1 1.11 . . 2 . . . . . . . . 975 1 193 . 1 1 33 33 LEU HD12 H 1 1.11 . . 2 . . . . . . . . 975 1 194 . 1 1 33 33 LEU HD13 H 1 1.11 . . 2 . . . . . . . . 975 1 195 . 1 1 33 33 LEU HD21 H 1 .99 . . 2 . . . . . . . . 975 1 196 . 1 1 33 33 LEU HD22 H 1 .99 . . 2 . . . . . . . . 975 1 197 . 1 1 33 33 LEU HD23 H 1 .99 . . 2 . . . . . . . . 975 1 198 . 1 1 34 34 GLY H H 1 7.81 . . 1 . . . . . . . . 975 1 199 . 1 1 34 34 GLY HA2 H 1 4.54 . . 2 . . . . . . . . 975 1 200 . 1 1 34 34 GLY HA3 H 1 3.8 . . 2 . . . . . . . . 975 1 201 . 1 1 35 35 TRP H H 1 8.34 . . 1 . . . . . . . . 975 1 202 . 1 1 35 35 TRP HA H 1 4.71 . . 1 . . . . . . . . 975 1 203 . 1 1 35 35 TRP HB2 H 1 2.9 . . 2 . . . . . . . . 975 1 204 . 1 1 35 35 TRP HB3 H 1 2.68 . . 2 . . . . . . . . 975 1 205 . 1 1 35 35 TRP HD1 H 1 7.2 . . 1 . . . . . . . . 975 1 206 . 1 1 35 35 TRP HE1 H 1 10.02 . . 1 . . . . . . . . 975 1 207 . 1 1 35 35 TRP HE3 H 1 7.59 . . 1 . . . . . . . . 975 1 208 . 1 1 35 35 TRP HZ2 H 1 7.44 . . 1 . . . . . . . . 975 1 209 . 1 1 35 35 TRP HZ3 H 1 7.27 . . 1 . . . . . . . . 975 1 210 . 1 1 35 35 TRP HH2 H 1 7.1 . . 1 . . . . . . . . 975 1 211 . 1 1 36 36 VAL H H 1 8.77 . . 1 . . . . . . . . 975 1 212 . 1 1 36 36 VAL HA H 1 3.66 . . 1 . . . . . . . . 975 1 213 . 1 1 36 36 VAL HB H 1 1.66 . . 1 . . . . . . . . 975 1 214 . 1 1 36 36 VAL HG11 H 1 .9 . . 2 . . . . . . . . 975 1 215 . 1 1 36 36 VAL HG12 H 1 .9 . . 2 . . . . . . . . 975 1 216 . 1 1 36 36 VAL HG13 H 1 .9 . . 2 . . . . . . . . 975 1 217 . 1 1 36 36 VAL HG21 H 1 .84 . . 2 . . . . . . . . 975 1 218 . 1 1 36 36 VAL HG22 H 1 .84 . . 2 . . . . . . . . 975 1 219 . 1 1 36 36 VAL HG23 H 1 .84 . . 2 . . . . . . . . 975 1 220 . 1 1 37 37 ALA H H 1 7.95 . . 1 . . . . . . . . 975 1 221 . 1 1 37 37 ALA HA H 1 3.81 . . 1 . . . . . . . . 975 1 222 . 1 1 37 37 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 975 1 223 . 1 1 37 37 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 975 1 224 . 1 1 37 37 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 975 1 225 . 1 1 38 38 SER H H 1 7.23 . . 1 . . . . . . . . 975 1 226 . 1 1 38 38 SER HA H 1 4.72 . . 1 . . . . . . . . 975 1 227 . 1 1 38 38 SER HB2 H 1 3.78 . . 1 . . . . . . . . 975 1 228 . 1 1 38 38 SER HB3 H 1 3.78 . . 1 . . . . . . . . 975 1 229 . 1 1 39 39 LYS H H 1 7.84 . . 1 . . . . . . . . 975 1 230 . 1 1 39 39 LYS HA H 1 4.55 . . 1 . . . . . . . . 975 1 231 . 1 1 39 39 LYS HB2 H 1 1.77 . . 2 . . . . . . . . 975 1 232 . 1 1 39 39 LYS HB3 H 1 1.47 . . 2 . . . . . . . . 975 1 233 . 1 1 40 40 GLY H H 1 7.7 . . 1 . . . . . . . . 975 1 234 . 1 1 40 40 GLY HA2 H 1 3.77 . . 2 . . . . . . . . 975 1 235 . 1 1 40 40 GLY HA3 H 1 2.45 . . 2 . . . . . . . . 975 1 236 . 1 1 41 41 ASN H H 1 7.58 . . 1 . . . . . . . . 975 1 237 . 1 1 41 41 ASN HA H 1 4.9 . . 1 . . . . . . . . 975 1 238 . 1 1 41 41 ASN HB2 H 1 3.55 . . 2 . . . . . . . . 975 1 239 . 1 1 41 41 ASN HB3 H 1 2.45 . . 2 . . . . . . . . 975 1 240 . 1 1 42 42 LEU H H 1 8.21 . . 1 . . . . . . . . 975 1 241 . 1 1 42 42 LEU HA H 1 3.98 . . 1 . . . . . . . . 975 1 242 . 1 1 42 42 LEU HB2 H 1 2.19 . . 2 . . . . . . . . 975 1 243 . 1 1 42 42 LEU HB3 H 1 2.09 . . 2 . . . . . . . . 975 1 244 . 1 1 43 43 ALA H H 1 8.18 . . 1 . . . . . . . . 975 1 245 . 1 1 43 43 ALA HA H 1 4.22 . . 1 . . . . . . . . 975 1 246 . 1 1 43 43 ALA HB1 H 1 1.61 . . 1 . . . . . . . . 975 1 247 . 1 1 43 43 ALA HB2 H 1 1.61 . . 1 . . . . . . . . 975 1 248 . 1 1 43 43 ALA HB3 H 1 1.61 . . 1 . . . . . . . . 975 1 249 . 1 1 44 44 ASP H H 1 7.34 . . 1 . . . . . . . . 975 1 250 . 1 1 44 44 ASP HA H 1 4.55 . . 1 . . . . . . . . 975 1 251 . 1 1 44 44 ASP HB2 H 1 2.87 . . 2 . . . . . . . . 975 1 252 . 1 1 44 44 ASP HB3 H 1 2.55 . . 2 . . . . . . . . 975 1 253 . 1 1 45 45 VAL H H 1 7.3 . . 1 . . . . . . . . 975 1 254 . 1 1 45 45 VAL HA H 1 4.49 . . 1 . . . . . . . . 975 1 255 . 1 1 45 45 VAL HB H 1 2.45 . . 1 . . . . . . . . 975 1 256 . 1 1 45 45 VAL HG11 H 1 .95 . . 2 . . . . . . . . 975 1 257 . 1 1 45 45 VAL HG12 H 1 .95 . . 2 . . . . . . . . 975 1 258 . 1 1 45 45 VAL HG13 H 1 .95 . . 2 . . . . . . . . 975 1 259 . 1 1 45 45 VAL HG21 H 1 .92 . . 2 . . . . . . . . 975 1 260 . 1 1 45 45 VAL HG22 H 1 .92 . . 2 . . . . . . . . 975 1 261 . 1 1 45 45 VAL HG23 H 1 .92 . . 2 . . . . . . . . 975 1 262 . 1 1 46 46 ALA H H 1 8.48 . . 1 . . . . . . . . 975 1 263 . 1 1 46 46 ALA HA H 1 4.75 . . 1 . . . . . . . . 975 1 264 . 1 1 46 46 ALA HB1 H 1 1.08 . . 1 . . . . . . . . 975 1 265 . 1 1 46 46 ALA HB2 H 1 1.08 . . 1 . . . . . . . . 975 1 266 . 1 1 46 46 ALA HB3 H 1 1.08 . . 1 . . . . . . . . 975 1 267 . 1 1 47 47 PRO HA H 1 4.43 . . 1 . . . . . . . . 975 1 268 . 1 1 47 47 PRO HB2 H 1 2.4 . . 1 . . . . . . . . 975 1 269 . 1 1 47 47 PRO HB3 H 1 2.4 . . 1 . . . . . . . . 975 1 270 . 1 1 47 47 PRO HG2 H 1 2.09 . . 2 . . . . . . . . 975 1 271 . 1 1 47 47 PRO HG3 H 1 1.94 . . 2 . . . . . . . . 975 1 272 . 1 1 47 47 PRO HD2 H 1 3.53 . . 2 . . . . . . . . 975 1 273 . 1 1 47 47 PRO HD3 H 1 3.22 . . 2 . . . . . . . . 975 1 274 . 1 1 48 48 GLY H H 1 8.64 . . 1 . . . . . . . . 975 1 275 . 1 1 48 48 GLY HA2 H 1 4.13 . . 2 . . . . . . . . 975 1 276 . 1 1 48 48 GLY HA3 H 1 3.76 . . 2 . . . . . . . . 975 1 277 . 1 1 49 49 LYS H H 1 7.9 . . 1 . . . . . . . . 975 1 278 . 1 1 49 49 LYS HA H 1 5.2 . . 1 . . . . . . . . 975 1 279 . 1 1 49 49 LYS HB2 H 1 1.99 . . 2 . . . . . . . . 975 1 280 . 1 1 49 49 LYS HB3 H 1 1.52 . . 2 . . . . . . . . 975 1 281 . 1 1 50 50 SER H H 1 8.1 . . 1 . . . . . . . . 975 1 282 . 1 1 50 50 SER HA H 1 4.51 . . 1 . . . . . . . . 975 1 283 . 1 1 50 50 SER HB2 H 1 2.85 . . 2 . . . . . . . . 975 1 284 . 1 1 50 50 SER HB3 H 1 2.64 . . 2 . . . . . . . . 975 1 285 . 1 1 51 51 ILE H H 1 8.5 . . 1 . . . . . . . . 975 1 286 . 1 1 51 51 ILE HA H 1 4.94 . . 1 . . . . . . . . 975 1 287 . 1 1 51 51 ILE HB H 1 1.48 . . 1 . . . . . . . . 975 1 288 . 1 1 51 51 ILE HG12 H 1 .78 . . 2 . . . . . . . . 975 1 289 . 1 1 51 51 ILE HG13 H 1 .25 . . 2 . . . . . . . . 975 1 290 . 1 1 51 51 ILE HG21 H 1 .17 . . 1 . . . . . . . . 975 1 291 . 1 1 51 51 ILE HG22 H 1 .17 . . 1 . . . . . . . . 975 1 292 . 1 1 51 51 ILE HG23 H 1 .17 . . 1 . . . . . . . . 975 1 293 . 1 1 51 51 ILE HD11 H 1 -.38 . . 1 . . . . . . . . 975 1 294 . 1 1 51 51 ILE HD12 H 1 -.38 . . 1 . . . . . . . . 975 1 295 . 1 1 51 51 ILE HD13 H 1 -.38 . . 1 . . . . . . . . 975 1 296 . 1 1 52 52 GLY H H 1 9.23 . . 1 . . . . . . . . 975 1 297 . 1 1 52 52 GLY HA2 H 1 4.88 . . 2 . . . . . . . . 975 1 298 . 1 1 52 52 GLY HA3 H 1 4.12 . . 2 . . . . . . . . 975 1 299 . 1 1 53 53 GLY H H 1 9.73 . . 1 . . . . . . . . 975 1 300 . 1 1 53 53 GLY HA2 H 1 4.46 . . 2 . . . . . . . . 975 1 301 . 1 1 53 53 GLY HA3 H 1 4.08 . . 2 . . . . . . . . 975 1 302 . 1 1 54 54 ASP H H 1 8.57 . . 1 . . . . . . . . 975 1 303 . 1 1 54 54 ASP HA H 1 4.92 . . 1 . . . . . . . . 975 1 304 . 1 1 54 54 ASP HB2 H 1 3.05 . . 2 . . . . . . . . 975 1 305 . 1 1 54 54 ASP HB3 H 1 2.88 . . 2 . . . . . . . . 975 1 306 . 1 1 55 55 ILE H H 1 8.31 . . 1 . . . . . . . . 975 1 307 . 1 1 55 55 ILE HA H 1 4.31 . . 1 . . . . . . . . 975 1 308 . 1 1 55 55 ILE HB H 1 1.88 . . 1 . . . . . . . . 975 1 309 . 1 1 55 55 ILE HG21 H 1 .92 . . 1 . . . . . . . . 975 1 310 . 1 1 55 55 ILE HG22 H 1 .92 . . 1 . . . . . . . . 975 1 311 . 1 1 55 55 ILE HG23 H 1 .92 . . 1 . . . . . . . . 975 1 312 . 1 1 56 56 PHE H H 1 9.14 . . 1 . . . . . . . . 975 1 313 . 1 1 56 56 PHE HA H 1 4.93 . . 1 . . . . . . . . 975 1 314 . 1 1 56 56 PHE HB2 H 1 2.74 . . 2 . . . . . . . . 975 1 315 . 1 1 56 56 PHE HB3 H 1 2.55 . . 2 . . . . . . . . 975 1 316 . 1 1 56 56 PHE HD1 H 1 6.87 . . 1 . . . . . . . . 975 1 317 . 1 1 56 56 PHE HD2 H 1 6.87 . . 1 . . . . . . . . 975 1 318 . 1 1 56 56 PHE HE1 H 1 6.76 . . 1 . . . . . . . . 975 1 319 . 1 1 56 56 PHE HE2 H 1 6.76 . . 1 . . . . . . . . 975 1 320 . 1 1 56 56 PHE HZ H 1 7.36 . . 1 . . . . . . . . 975 1 321 . 1 1 57 57 SER H H 1 8.56 . . 1 . . . . . . . . 975 1 322 . 1 1 57 57 SER HA H 1 3.96 . . 1 . . . . . . . . 975 1 323 . 1 1 57 57 SER HB2 H 1 3.72 . . 2 . . . . . . . . 975 1 324 . 1 1 57 57 SER HB3 H 1 3.54 . . 2 . . . . . . . . 975 1 325 . 1 1 58 58 ASN H H 1 6.38 . . 1 . . . . . . . . 975 1 326 . 1 1 58 58 ASN HA H 1 4.05 . . 1 . . . . . . . . 975 1 327 . 1 1 58 58 ASN HB2 H 1 3.24 . . 1 . . . . . . . . 975 1 328 . 1 1 58 58 ASN HB3 H 1 3.24 . . 1 . . . . . . . . 975 1 329 . 1 1 59 59 ARG H H 1 7.85 . . 1 . . . . . . . . 975 1 330 . 1 1 59 59 ARG HA H 1 3.9 . . 1 . . . . . . . . 975 1 331 . 1 1 59 59 ARG HB2 H 1 1.72 . . 2 . . . . . . . . 975 1 332 . 1 1 59 59 ARG HB3 H 1 1.53 . . 2 . . . . . . . . 975 1 333 . 1 1 60 60 GLU H H 1 8.2 . . 1 . . . . . . . . 975 1 334 . 1 1 60 60 GLU HA H 1 4.31 . . 1 . . . . . . . . 975 1 335 . 1 1 60 60 GLU HB2 H 1 2.3 . . 2 . . . . . . . . 975 1 336 . 1 1 60 60 GLU HB3 H 1 2.09 . . 2 . . . . . . . . 975 1 337 . 1 1 61 61 GLY H H 1 7.63 . . 1 . . . . . . . . 975 1 338 . 1 1 61 61 GLY HA2 H 1 3.89 . . 2 . . . . . . . . 975 1 339 . 1 1 61 61 GLY HA3 H 1 3.68 . . 2 . . . . . . . . 975 1 340 . 1 1 62 62 LYS H H 1 7.91 . . 1 . . . . . . . . 975 1 341 . 1 1 62 62 LYS HA H 1 4 . . 1 . . . . . . . . 975 1 342 . 1 1 62 62 LYS HB2 H 1 1.91 . . 2 . . . . . . . . 975 1 343 . 1 1 62 62 LYS HB3 H 1 1.76 . . 2 . . . . . . . . 975 1 344 . 1 1 63 63 LEU H H 1 7.54 . . 1 . . . . . . . . 975 1 345 . 1 1 63 63 LEU HA H 1 3.92 . . 1 . . . . . . . . 975 1 346 . 1 1 63 63 LEU HB2 H 1 .05 . . 2 . . . . . . . . 975 1 347 . 1 1 63 63 LEU HB3 H 1 .45 . . 2 . . . . . . . . 975 1 348 . 1 1 63 63 LEU HG H 1 -.25 . . 1 . . . . . . . . 975 1 349 . 1 1 63 63 LEU HD11 H 1 .98 . . 2 . . . . . . . . 975 1 350 . 1 1 63 63 LEU HD12 H 1 .98 . . 2 . . . . . . . . 975 1 351 . 1 1 63 63 LEU HD13 H 1 .98 . . 2 . . . . . . . . 975 1 352 . 1 1 63 63 LEU HD21 H 1 1.01 . . 2 . . . . . . . . 975 1 353 . 1 1 63 63 LEU HD22 H 1 1.01 . . 2 . . . . . . . . 975 1 354 . 1 1 63 63 LEU HD23 H 1 1.01 . . 2 . . . . . . . . 975 1 355 . 1 1 64 64 PRO HA H 1 4.35 . . 1 . . . . . . . . 975 1 356 . 1 1 64 64 PRO HB2 H 1 2.36 . . 2 . . . . . . . . 975 1 357 . 1 1 64 64 PRO HB3 H 1 2.3 . . 2 . . . . . . . . 975 1 358 . 1 1 64 64 PRO HG2 H 1 2.34 . . 1 . . . . . . . . 975 1 359 . 1 1 64 64 PRO HG3 H 1 2.34 . . 1 . . . . . . . . 975 1 360 . 1 1 64 64 PRO HD2 H 1 3.4 . . 2 . . . . . . . . 975 1 361 . 1 1 64 64 PRO HD3 H 1 3 . . 2 . . . . . . . . 975 1 362 . 1 1 65 65 GLY H H 1 8.73 . . 1 . . . . . . . . 975 1 363 . 1 1 65 65 GLY HA2 H 1 4.82 . . 2 . . . . . . . . 975 1 364 . 1 1 65 65 GLY HA3 H 1 3.78 . . 2 . . . . . . . . 975 1 365 . 1 1 66 66 LYS H H 1 8.21 . . 1 . . . . . . . . 975 1 366 . 1 1 66 66 LYS HA H 1 4.37 . . 1 . . . . . . . . 975 1 367 . 1 1 66 66 LYS HB2 H 1 1.5 . . 2 . . . . . . . . 975 1 368 . 1 1 66 66 LYS HB3 H 1 1.39 . . 2 . . . . . . . . 975 1 369 . 1 1 67 67 SER H H 1 8.75 . . 1 . . . . . . . . 975 1 370 . 1 1 67 67 SER HA H 1 4.29 . . 1 . . . . . . . . 975 1 371 . 1 1 67 67 SER HB2 H 1 3.92 . . 1 . . . . . . . . 975 1 372 . 1 1 67 67 SER HB3 H 1 3.92 . . 1 . . . . . . . . 975 1 373 . 1 1 68 68 GLY H H 1 8.93 . . 1 . . . . . . . . 975 1 374 . 1 1 68 68 GLY HA2 H 1 4.24 . . 2 . . . . . . . . 975 1 375 . 1 1 68 68 GLY HA3 H 1 3.73 . . 2 . . . . . . . . 975 1 376 . 1 1 69 69 ARG H H 1 8.08 . . 1 . . . . . . . . 975 1 377 . 1 1 69 69 ARG HA H 1 4.23 . . 1 . . . . . . . . 975 1 378 . 1 1 69 69 ARG HB2 H 1 1.85 . . 2 . . . . . . . . 975 1 379 . 1 1 69 69 ARG HB3 H 1 1.48 . . 2 . . . . . . . . 975 1 380 . 1 1 70 70 THR H H 1 8.21 . . 1 . . . . . . . . 975 1 381 . 1 1 70 70 THR HA H 1 4.48 . . 1 . . . . . . . . 975 1 382 . 1 1 70 70 THR HB H 1 3.9 . . 1 . . . . . . . . 975 1 383 . 1 1 70 70 THR HG21 H 1 1.2 . . 1 . . . . . . . . 975 1 384 . 1 1 70 70 THR HG22 H 1 1.2 . . 1 . . . . . . . . 975 1 385 . 1 1 70 70 THR HG23 H 1 1.2 . . 1 . . . . . . . . 975 1 386 . 1 1 71 71 TRP H H 1 9.18 . . 1 . . . . . . . . 975 1 387 . 1 1 71 71 TRP HA H 1 4.74 . . 1 . . . . . . . . 975 1 388 . 1 1 71 71 TRP HB2 H 1 3.39 . . 2 . . . . . . . . 975 1 389 . 1 1 71 71 TRP HB3 H 1 2.98 . . 2 . . . . . . . . 975 1 390 . 1 1 71 71 TRP HD1 H 1 7.15 . . 1 . . . . . . . . 975 1 391 . 1 1 71 71 TRP HE1 H 1 8.93 . . 1 . . . . . . . . 975 1 392 . 1 1 71 71 TRP HE3 H 1 7.48 . . 1 . . . . . . . . 975 1 393 . 1 1 71 71 TRP HZ2 H 1 6.98 . . 1 . . . . . . . . 975 1 394 . 1 1 71 71 TRP HZ3 H 1 7 . . 1 . . . . . . . . 975 1 395 . 1 1 71 71 TRP HH2 H 1 7.16 . . 1 . . . . . . . . 975 1 396 . 1 1 72 72 ARG H H 1 8.68 . . 1 . . . . . . . . 975 1 397 . 1 1 72 72 ARG HA H 1 5.12 . . 1 . . . . . . . . 975 1 398 . 1 1 72 72 ARG HB2 H 1 1.3 . . 2 . . . . . . . . 975 1 399 . 1 1 72 72 ARG HB3 H 1 .32 . . 2 . . . . . . . . 975 1 400 . 1 1 73 73 GLU H H 1 8.21 . . 1 . . . . . . . . 975 1 401 . 1 1 73 73 GLU HA H 1 6.29 . . 1 . . . . . . . . 975 1 402 . 1 1 73 73 GLU HB2 H 1 2.28 . . 2 . . . . . . . . 975 1 403 . 1 1 73 73 GLU HB3 H 1 2.1 . . 2 . . . . . . . . 975 1 404 . 1 1 74 74 ALA H H 1 9.19 . . 1 . . . . . . . . 975 1 405 . 1 1 74 74 ALA HA H 1 5.25 . . 1 . . . . . . . . 975 1 406 . 1 1 74 74 ALA HB1 H 1 1.27 . . 1 . . . . . . . . 975 1 407 . 1 1 74 74 ALA HB2 H 1 1.27 . . 1 . . . . . . . . 975 1 408 . 1 1 74 74 ALA HB3 H 1 1.27 . . 1 . . . . . . . . 975 1 409 . 1 1 75 75 ASP H H 1 9.63 . . 1 . . . . . . . . 975 1 410 . 1 1 75 75 ASP HA H 1 4.96 . . 1 . . . . . . . . 975 1 411 . 1 1 75 75 ASP HB2 H 1 3.46 . . 2 . . . . . . . . 975 1 412 . 1 1 75 75 ASP HB3 H 1 2.76 . . 2 . . . . . . . . 975 1 413 . 1 1 76 76 ILE H H 1 7.74 . . 1 . . . . . . . . 975 1 414 . 1 1 76 76 ILE HA H 1 4.3 . . 1 . . . . . . . . 975 1 415 . 1 1 76 76 ILE HB H 1 .95 . . 1 . . . . . . . . 975 1 416 . 1 1 76 76 ILE HG12 H 1 1.5 . . 2 . . . . . . . . 975 1 417 . 1 1 76 76 ILE HG13 H 1 1.07 . . 2 . . . . . . . . 975 1 418 . 1 1 76 76 ILE HG21 H 1 -.25 . . 1 . . . . . . . . 975 1 419 . 1 1 76 76 ILE HG22 H 1 -.25 . . 1 . . . . . . . . 975 1 420 . 1 1 76 76 ILE HG23 H 1 -.25 . . 1 . . . . . . . . 975 1 421 . 1 1 76 76 ILE HD11 H 1 .38 . . 1 . . . . . . . . 975 1 422 . 1 1 76 76 ILE HD12 H 1 .38 . . 1 . . . . . . . . 975 1 423 . 1 1 76 76 ILE HD13 H 1 .38 . . 1 . . . . . . . . 975 1 424 . 1 1 77 77 ASN H H 1 8.83 . . 1 . . . . . . . . 975 1 425 . 1 1 77 77 ASN HA H 1 4.15 . . 1 . . . . . . . . 975 1 426 . 1 1 77 77 ASN HB2 H 1 3.26 . . 2 . . . . . . . . 975 1 427 . 1 1 77 77 ASN HB3 H 1 3.17 . . 2 . . . . . . . . 975 1 428 . 1 1 78 78 TYR H H 1 8.99 . . 1 . . . . . . . . 975 1 429 . 1 1 78 78 TYR HA H 1 4.34 . . 1 . . . . . . . . 975 1 430 . 1 1 78 78 TYR HB2 H 1 3.15 . . 1 . . . . . . . . 975 1 431 . 1 1 78 78 TYR HB3 H 1 3.15 . . 1 . . . . . . . . 975 1 432 . 1 1 78 78 TYR HD1 H 1 7.17 . . 1 . . . . . . . . 975 1 433 . 1 1 78 78 TYR HD2 H 1 7.17 . . 1 . . . . . . . . 975 1 434 . 1 1 78 78 TYR HE1 H 1 6.65 . . 1 . . . . . . . . 975 1 435 . 1 1 78 78 TYR HE2 H 1 6.65 . . 1 . . . . . . . . 975 1 436 . 1 1 79 79 THR H H 1 8 . . 1 . . . . . . . . 975 1 437 . 1 1 79 79 THR HA H 1 3.96 . . 1 . . . . . . . . 975 1 438 . 1 1 79 79 THR HB H 1 3.98 . . 1 . . . . . . . . 975 1 439 . 1 1 79 79 THR HG21 H 1 1.05 . . 1 . . . . . . . . 975 1 440 . 1 1 79 79 THR HG22 H 1 1.05 . . 1 . . . . . . . . 975 1 441 . 1 1 79 79 THR HG23 H 1 1.05 . . 1 . . . . . . . . 975 1 442 . 1 1 80 80 SER H H 1 7.27 . . 1 . . . . . . . . 975 1 443 . 1 1 80 80 SER HA H 1 4.44 . . 1 . . . . . . . . 975 1 444 . 1 1 80 80 SER HB2 H 1 4 . . 2 . . . . . . . . 975 1 445 . 1 1 80 80 SER HB3 H 1 3.77 . . 2 . . . . . . . . 975 1 446 . 1 1 81 81 GLY H H 1 8.8 . . 1 . . . . . . . . 975 1 447 . 1 1 81 81 GLY HA2 H 1 4.65 . . 2 . . . . . . . . 975 1 448 . 1 1 81 81 GLY HA3 H 1 4.06 . . 2 . . . . . . . . 975 1 449 . 1 1 82 82 PHE H H 1 8.85 . . 1 . . . . . . . . 975 1 450 . 1 1 82 82 PHE HA H 1 4.63 . . 1 . . . . . . . . 975 1 451 . 1 1 82 82 PHE HB2 H 1 3.58 . . 2 . . . . . . . . 975 1 452 . 1 1 82 82 PHE HB3 H 1 3.1 . . 2 . . . . . . . . 975 1 453 . 1 1 82 82 PHE HD1 H 1 7.7 . . 1 . . . . . . . . 975 1 454 . 1 1 82 82 PHE HD2 H 1 7.7 . . 1 . . . . . . . . 975 1 455 . 1 1 82 82 PHE HE1 H 1 7.51 . . 1 . . . . . . . . 975 1 456 . 1 1 82 82 PHE HE2 H 1 7.51 . . 1 . . . . . . . . 975 1 457 . 1 1 82 82 PHE HZ H 1 7.3 . . 1 . . . . . . . . 975 1 458 . 1 1 83 83 ARG H H 1 8.4 . . 1 . . . . . . . . 975 1 459 . 1 1 83 83 ARG HA H 1 4.38 . . 1 . . . . . . . . 975 1 460 . 1 1 83 83 ARG HB2 H 1 2.04 . . 1 . . . . . . . . 975 1 461 . 1 1 83 83 ARG HB3 H 1 2.04 . . 1 . . . . . . . . 975 1 462 . 1 1 84 84 ASN H H 1 9 . . 1 . . . . . . . . 975 1 463 . 1 1 84 84 ASN HA H 1 5.04 . . 1 . . . . . . . . 975 1 464 . 1 1 84 84 ASN HB2 H 1 3.8 . . 2 . . . . . . . . 975 1 465 . 1 1 84 84 ASN HB3 H 1 3.27 . . 2 . . . . . . . . 975 1 466 . 1 1 85 85 SER H H 1 8.31 . . 1 . . . . . . . . 975 1 467 . 1 1 85 85 SER HA H 1 4.32 . . 1 . . . . . . . . 975 1 468 . 1 1 85 85 SER HB2 H 1 3.93 . . 2 . . . . . . . . 975 1 469 . 1 1 85 85 SER HB3 H 1 3.26 . . 2 . . . . . . . . 975 1 470 . 1 1 86 86 ASP H H 1 7.88 . . 1 . . . . . . . . 975 1 471 . 1 1 86 86 ASP HA H 1 5.64 . . 1 . . . . . . . . 975 1 472 . 1 1 86 86 ASP HB2 H 1 3.31 . . 2 . . . . . . . . 975 1 473 . 1 1 86 86 ASP HB3 H 1 2.37 . . 2 . . . . . . . . 975 1 474 . 1 1 87 87 ARG H H 1 9.53 . . 1 . . . . . . . . 975 1 475 . 1 1 87 87 ARG HA H 1 5.61 . . 1 . . . . . . . . 975 1 476 . 1 1 87 87 ARG HB2 H 1 1.68 . . 2 . . . . . . . . 975 1 477 . 1 1 87 87 ARG HB3 H 1 1.87 . . 2 . . . . . . . . 975 1 478 . 1 1 88 88 ILE H H 1 9.47 . . 1 . . . . . . . . 975 1 479 . 1 1 88 88 ILE HA H 1 5.41 . . 1 . . . . . . . . 975 1 480 . 1 1 88 88 ILE HB H 1 1.82 . . 1 . . . . . . . . 975 1 481 . 1 1 88 88 ILE HG21 H 1 1.16 . . 1 . . . . . . . . 975 1 482 . 1 1 88 88 ILE HG22 H 1 1.16 . . 1 . . . . . . . . 975 1 483 . 1 1 88 88 ILE HG23 H 1 1.16 . . 1 . . . . . . . . 975 1 484 . 1 1 89 89 LEU H H 1 9.49 . . 1 . . . . . . . . 975 1 485 . 1 1 89 89 LEU HA H 1 5.81 . . 1 . . . . . . . . 975 1 486 . 1 1 89 89 LEU HB2 H 1 1.72 . . 2 . . . . . . . . 975 1 487 . 1 1 89 89 LEU HB3 H 1 1.64 . . 2 . . . . . . . . 975 1 488 . 1 1 89 89 LEU HG H 1 1.54 . . 1 . . . . . . . . 975 1 489 . 1 1 89 89 LEU HD11 H 1 .71 . . 2 . . . . . . . . 975 1 490 . 1 1 89 89 LEU HD12 H 1 .71 . . 2 . . . . . . . . 975 1 491 . 1 1 89 89 LEU HD13 H 1 .71 . . 2 . . . . . . . . 975 1 492 . 1 1 89 89 LEU HD21 H 1 .48 . . 2 . . . . . . . . 975 1 493 . 1 1 89 89 LEU HD22 H 1 .48 . . 2 . . . . . . . . 975 1 494 . 1 1 89 89 LEU HD23 H 1 .48 . . 2 . . . . . . . . 975 1 495 . 1 1 90 90 TYR H H 1 9.37 . . 1 . . . . . . . . 975 1 496 . 1 1 90 90 TYR HA H 1 6.54 . . 1 . . . . . . . . 975 1 497 . 1 1 90 90 TYR HB2 H 1 3 . . 2 . . . . . . . . 975 1 498 . 1 1 90 90 TYR HB3 H 1 2.9 . . 2 . . . . . . . . 975 1 499 . 1 1 91 91 SER H H 1 8.85 . . 1 . . . . . . . . 975 1 500 . 1 1 91 91 SER HA H 1 4.63 . . 1 . . . . . . . . 975 1 501 . 1 1 91 91 SER HB2 H 1 2.95 . . 1 . . . . . . . . 975 1 502 . 1 1 91 91 SER HB3 H 1 2.95 . . 1 . . . . . . . . 975 1 503 . 1 1 92 92 SER H H 1 8.08 . . 1 . . . . . . . . 975 1 504 . 1 1 92 92 SER HA H 1 3.55 . . 1 . . . . . . . . 975 1 505 . 1 1 92 92 SER HB2 H 1 3.97 . . 2 . . . . . . . . 975 1 506 . 1 1 92 92 SER HB3 H 1 3.71 . . 2 . . . . . . . . 975 1 507 . 1 1 93 93 ASP H H 1 8.08 . . 1 . . . . . . . . 975 1 508 . 1 1 93 93 ASP HA H 1 4.37 . . 1 . . . . . . . . 975 1 509 . 1 1 93 93 ASP HB2 H 1 3.05 . . 2 . . . . . . . . 975 1 510 . 1 1 93 93 ASP HB3 H 1 2.48 . . 2 . . . . . . . . 975 1 511 . 1 1 94 94 TRP H H 1 7.21 . . 1 . . . . . . . . 975 1 512 . 1 1 94 94 TRP HA H 1 4.13 . . 1 . . . . . . . . 975 1 513 . 1 1 94 94 TRP HB2 H 1 3.42 . . 1 . . . . . . . . 975 1 514 . 1 1 94 94 TRP HB3 H 1 3.42 . . 1 . . . . . . . . 975 1 515 . 1 1 94 94 TRP HD1 H 1 6.89 . . 1 . . . . . . . . 975 1 516 . 1 1 94 94 TRP HE1 H 1 9.65 . . 1 . . . . . . . . 975 1 517 . 1 1 94 94 TRP HE3 H 1 7.42 . . 1 . . . . . . . . 975 1 518 . 1 1 94 94 TRP HZ2 H 1 7.22 . . 1 . . . . . . . . 975 1 519 . 1 1 94 94 TRP HZ3 H 1 6.93 . . 1 . . . . . . . . 975 1 520 . 1 1 94 94 TRP HH2 H 1 6.82 . . 1 . . . . . . . . 975 1 521 . 1 1 95 95 LEU H H 1 8.17 . . 1 . . . . . . . . 975 1 522 . 1 1 95 95 LEU HA H 1 4.76 . . 1 . . . . . . . . 975 1 523 . 1 1 95 95 LEU HB2 H 1 2.12 . . 2 . . . . . . . . 975 1 524 . 1 1 95 95 LEU HB3 H 1 1.7 . . 2 . . . . . . . . 975 1 525 . 1 1 96 96 ILE H H 1 8.84 . . 1 . . . . . . . . 975 1 526 . 1 1 96 96 ILE HA H 1 5.65 . . 1 . . . . . . . . 975 1 527 . 1 1 96 96 ILE HB H 1 1.94 . . 1 . . . . . . . . 975 1 528 . 1 1 96 96 ILE HG12 H 1 1.82 . . 2 . . . . . . . . 975 1 529 . 1 1 96 96 ILE HG13 H 1 1.41 . . 2 . . . . . . . . 975 1 530 . 1 1 96 96 ILE HG21 H 1 1.19 . . 1 . . . . . . . . 975 1 531 . 1 1 96 96 ILE HG22 H 1 1.19 . . 1 . . . . . . . . 975 1 532 . 1 1 96 96 ILE HG23 H 1 1.19 . . 1 . . . . . . . . 975 1 533 . 1 1 96 96 ILE HD11 H 1 1.07 . . 1 . . . . . . . . 975 1 534 . 1 1 96 96 ILE HD12 H 1 1.07 . . 1 . . . . . . . . 975 1 535 . 1 1 96 96 ILE HD13 H 1 1.07 . . 1 . . . . . . . . 975 1 536 . 1 1 97 97 TYR H H 1 10.38 . . 1 . . . . . . . . 975 1 537 . 1 1 97 97 TYR HA H 1 5.55 . . 1 . . . . . . . . 975 1 538 . 1 1 97 97 TYR HB2 H 1 2.96 . . 2 . . . . . . . . 975 1 539 . 1 1 97 97 TYR HB3 H 1 2.81 . . 2 . . . . . . . . 975 1 540 . 1 1 97 97 TYR HD1 H 1 7.02 . . 1 . . . . . . . . 975 1 541 . 1 1 97 97 TYR HD2 H 1 7.02 . . 1 . . . . . . . . 975 1 542 . 1 1 97 97 TYR HE1 H 1 6.92 . . 1 . . . . . . . . 975 1 543 . 1 1 97 97 TYR HE2 H 1 6.92 . . 1 . . . . . . . . 975 1 544 . 1 1 98 98 LYS H H 1 9.6 . . 1 . . . . . . . . 975 1 545 . 1 1 98 98 LYS HA H 1 5.79 . . 1 . . . . . . . . 975 1 546 . 1 1 98 98 LYS HB2 H 1 1.69 . . 2 . . . . . . . . 975 1 547 . 1 1 98 98 LYS HB3 H 1 1.48 . . 2 . . . . . . . . 975 1 548 . 1 1 99 99 THR H H 1 8.8 . . 1 . . . . . . . . 975 1 549 . 1 1 99 99 THR HA H 1 5 . . 1 . . . . . . . . 975 1 550 . 1 1 99 99 THR HB H 1 3.9 . . 1 . . . . . . . . 975 1 551 . 1 1 99 99 THR HG21 H 1 .95 . . 1 . . . . . . . . 975 1 552 . 1 1 99 99 THR HG22 H 1 .95 . . 1 . . . . . . . . 975 1 553 . 1 1 99 99 THR HG23 H 1 .95 . . 1 . . . . . . . . 975 1 554 . 1 1 100 100 THR H H 1 9.12 . . 1 . . . . . . . . 975 1 555 . 1 1 100 100 THR HA H 1 5.28 . . 1 . . . . . . . . 975 1 556 . 1 1 100 100 THR HB H 1 4.77 . . 1 . . . . . . . . 975 1 557 . 1 1 100 100 THR HG21 H 1 1.15 . . 1 . . . . . . . . 975 1 558 . 1 1 100 100 THR HG22 H 1 1.15 . . 1 . . . . . . . . 975 1 559 . 1 1 100 100 THR HG23 H 1 1.15 . . 1 . . . . . . . . 975 1 560 . 1 1 101 101 ASP H H 1 8.45 . . 1 . . . . . . . . 975 1 561 . 1 1 101 101 ASP HA H 1 4.92 . . 1 . . . . . . . . 975 1 562 . 1 1 101 101 ASP HB2 H 1 3.01 . . 1 . . . . . . . . 975 1 563 . 1 1 101 101 ASP HB3 H 1 3.01 . . 1 . . . . . . . . 975 1 564 . 1 1 102 102 HIS H H 1 8.87 . . 1 . . . . . . . . 975 1 565 . 1 1 102 102 HIS HA H 1 3.26 . . 1 . . . . . . . . 975 1 566 . 1 1 102 102 HIS HB2 H 1 3.88 . . 2 . . . . . . . . 975 1 567 . 1 1 102 102 HIS HB3 H 1 2.97 . . 2 . . . . . . . . 975 1 568 . 1 1 102 102 HIS HD2 H 1 7.12 . . 1 . . . . . . . . 975 1 569 . 1 1 102 102 HIS HE1 H 1 8.78 . . 1 . . . . . . . . 975 1 570 . 1 1 103 103 TYR H H 1 7.39 . . 1 . . . . . . . . 975 1 571 . 1 1 103 103 TYR HA H 1 3.39 . . 1 . . . . . . . . 975 1 572 . 1 1 103 103 TYR HB2 H 1 3.6 . . 1 . . . . . . . . 975 1 573 . 1 1 103 103 TYR HB3 H 1 3.6 . . 1 . . . . . . . . 975 1 574 . 1 1 103 103 TYR HD1 H 1 6.54 . . 1 . . . . . . . . 975 1 575 . 1 1 103 103 TYR HD2 H 1 6.54 . . 1 . . . . . . . . 975 1 576 . 1 1 103 103 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 975 1 577 . 1 1 103 103 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 975 1 578 . 1 1 104 104 GLN H H 1 7.33 . . 1 . . . . . . . . 975 1 579 . 1 1 104 104 GLN HA H 1 4.2 . . 1 . . . . . . . . 975 1 580 . 1 1 104 104 GLN HB2 H 1 2.03 . . 1 . . . . . . . . 975 1 581 . 1 1 104 104 GLN HB3 H 1 2.03 . . 1 . . . . . . . . 975 1 582 . 1 1 105 105 THR H H 1 9.84 . . 1 . . . . . . . . 975 1 583 . 1 1 105 105 THR HA H 1 4.62 . . 1 . . . . . . . . 975 1 584 . 1 1 105 105 THR HB H 1 4.12 . . 1 . . . . . . . . 975 1 585 . 1 1 105 105 THR HG21 H 1 1.29 . . 1 . . . . . . . . 975 1 586 . 1 1 105 105 THR HG22 H 1 1.29 . . 1 . . . . . . . . 975 1 587 . 1 1 105 105 THR HG23 H 1 1.29 . . 1 . . . . . . . . 975 1 588 . 1 1 106 106 PHE H H 1 8.67 . . 1 . . . . . . . . 975 1 589 . 1 1 106 106 PHE HA H 1 5.8 . . 1 . . . . . . . . 975 1 590 . 1 1 106 106 PHE HB2 H 1 2.97 . . 2 . . . . . . . . 975 1 591 . 1 1 106 106 PHE HB3 H 1 2.74 . . 2 . . . . . . . . 975 1 592 . 1 1 106 106 PHE HD1 H 1 6.96 . . 1 . . . . . . . . 975 1 593 . 1 1 106 106 PHE HD2 H 1 6.96 . . 1 . . . . . . . . 975 1 594 . 1 1 106 106 PHE HE1 H 1 6.84 . . 1 . . . . . . . . 975 1 595 . 1 1 106 106 PHE HE2 H 1 6.84 . . 1 . . . . . . . . 975 1 596 . 1 1 106 106 PHE HZ H 1 7.22 . . 1 . . . . . . . . 975 1 597 . 1 1 107 107 THR H H 1 9.13 . . 1 . . . . . . . . 975 1 598 . 1 1 107 107 THR HA H 1 4.74 . . 1 . . . . . . . . 975 1 599 . 1 1 107 107 THR HB H 1 3.81 . . 1 . . . . . . . . 975 1 600 . 1 1 107 107 THR HG21 H 1 1.2 . . 1 . . . . . . . . 975 1 601 . 1 1 107 107 THR HG22 H 1 1.2 . . 1 . . . . . . . . 975 1 602 . 1 1 107 107 THR HG23 H 1 1.2 . . 1 . . . . . . . . 975 1 603 . 1 1 108 108 LYS H H 1 8.94 . . 1 . . . . . . . . 975 1 604 . 1 1 108 108 LYS HA H 1 3.22 . . 1 . . . . . . . . 975 1 605 . 1 1 108 108 LYS HB2 H 1 2.04 . . 2 . . . . . . . . 975 1 606 . 1 1 108 108 LYS HB3 H 1 1.67 . . 2 . . . . . . . . 975 1 607 . 1 1 109 109 ILE H H 1 8.99 . . 1 . . . . . . . . 975 1 608 . 1 1 109 109 ILE HA H 1 4.5 . . 1 . . . . . . . . 975 1 609 . 1 1 109 109 ILE HB H 1 1.91 . . 1 . . . . . . . . 975 1 610 . 1 1 109 109 ILE HG21 H 1 .82 . . 1 . . . . . . . . 975 1 611 . 1 1 109 109 ILE HG22 H 1 .82 . . 1 . . . . . . . . 975 1 612 . 1 1 109 109 ILE HG23 H 1 .82 . . 1 . . . . . . . . 975 1 613 . 1 1 110 110 ARG H H 1 8.22 . . 1 . . . . . . . . 975 1 614 . 1 1 110 110 ARG HA H 1 4.36 . . 1 . . . . . . . . 975 1 615 . 1 1 110 110 ARG HB2 H 1 1.9 . . 2 . . . . . . . . 975 1 616 . 1 1 110 110 ARG HB3 H 1 1.51 . . 2 . . . . . . . . 975 1 stop_ save_