data_4350 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4350 _Entry.Title ; 1H,15N Resonance Assignment of Escherichia coli Adenylate Kinase with Its Bi-Substrate Analog AP5A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-05-31 _Entry.Accession_date 1999-06-01 _Entry.Last_release_date 1999-09-27 _Entry.Original_release_date 1999-09-27 _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 ; We report the proton and nitrogen-15 resonance assignments for the E.coli adenylate kinase with its bisubstrate analog AP5A ; _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 Simona Burlacu-Miron . . . 4350 2 Anne-Marie Gilles . . . 4350 3 Aurel Popescu . . . 4350 4 Octavian Barzu . . . 4350 5 Constantin Craescu . T. . 4350 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4350 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 189 4350 '1H chemical shifts' 643 4350 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 . . 1999-09-27 1999-05-31 original author . 4350 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4350 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Burlacu-Miron, S., Gilles, A.-M., Popescu, A, Barzu, O. and Craescu, C. T. "Multinuclear Magnetic Resonance Studies of Escherichia coli Adenylate Kinase in Free and Bound Forms: Resonance Assignment, Secondary Structure and Ligand Binding", in press. ; _Citation.Title 'NMR Studies on Escherichia coli Adenylate Kinase, Free and in Complex with AP5A' _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full 'European Journal of Biochemistry' _Citation.Journal_volume 264 _Citation.Journal_issue na _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 765 _Citation.Page_last 774 _Citation.Year 1999 _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 Simona Burlacu-Miron . . . 4350 1 2 Anne-Marie Gilles . . . 4350 1 3 Aurel Popescu . . . 4350 1 4 Octavian Barzu . . . 4350 1 5 Constantin Craescu . T. . 4350 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Adenylate Kinase, NMPkinase' 4350 1 AKe 4350 1 AP5A 4350 1 'NMR, nuclear magnetic resonance' 4350 1 protein 4350 1 'resonance assignment' 4350 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_AK _Assembly.Sf_category assembly _Assembly.Sf_framecode system_AK _Assembly.Entry_ID 4350 _Assembly.ID 1 _Assembly.Name 'Adenylate kinase from E. coli' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4350 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 'Adenylate kinase from E. coli' 1 $AK . . . native . . . . . 4350 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Adenylate kinase from E. coli' system 4350 1 AK abbreviation 4350 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AK _Entity.Sf_category entity _Entity.Sf_framecode AK _Entity.Entry_ID 4350 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Adenylate kinase from E. coli' _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 ; MRIILLGAPGAGKGTQAQFI MEKYGIPQISTGDMLRAAVK SGSELGKQAKDIMDAGKLVT DELVIALVKERIAQEDCRNG FLLDGFPRTIPQADAMKEAG INVDYVLEFDVPDELIVDRI VGRRVHAPSGRVYHVKFNPP KVEGKDDVTGEELTTRKDDQ EETVRKRLVEYHQMTAPLIG YYSKEAEAGNTKYAKVDGTK PVAEVRADLEKILG ; _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 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 18683 . adenylate_kinase . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 2 no BMRB 18685 . adenylate_kinase . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 3 no BMRB 18686 . adenylate_kinase . . . . . 100.00 214 99.53 99.53 1.29e-150 . . . . 4350 1 4 no BMRB 18687 . adenylate_kinase . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 5 no BMRB 19089 . adenylate_kinase_wild_type . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 6 no BMRB 19090 . adenylate_kinase_wild_type . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 7 no BMRB 19091 . adenylate_kinase_wild_type . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 8 no BMRB 19092 . adenylate_kinase_R156K_mutant . . . . . 100.00 214 99.53 100.00 4.93e-151 . . . . 4350 1 9 no BMRB 19093 . adenylate_kinase_R156K_mutant . . . . . 100.00 214 99.53 100.00 4.93e-151 . . . . 4350 1 10 no BMRB 25353 . Kinase . . . . . 100.00 214 99.53 99.53 1.85e-150 . . . . 4350 1 11 no BMRB 25357 . Adenylate_Kinase_Y171W . . . . . 100.00 214 99.53 100.00 3.36e-151 . . . . 4350 1 12 no BMRB 25360 . Adenylate_Kinase_P177A . . . . . 100.00 214 99.53 99.53 1.85e-150 . . . . 4350 1 13 no BMRB 25361 . Adenylate_Kinase_Y171W . . . . . 100.00 214 99.53 100.00 3.36e-151 . . . . 4350 1 14 no BMRB 25362 . Adenylate_Kinase_Y171W . . . . . 100.00 214 99.53 100.00 3.36e-151 . . . . 4350 1 15 no BMRB 4152 . "Adenylate kinase" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 16 no BMRB 4193 . "Adenylate kinase" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 17 no PDB 1AKE . "Structure Of The Complex Between Adenylate Kinase From Escherichia Coli And The Inhibitor Ap5a Refined At 1.9 Angstroms Resolut" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 18 no PDB 1ANK . "The Closed Conformation Of A Highly Flexible Protein: The Structure Of E. Cloi Adenylate Kinase With Bound Amp And Amppnp" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 19 no PDB 1E4V . "Mutant G10v Of Adenylate Kinase From E. Coli, Modified In The Gly-Loop" . . . . . 100.00 214 99.53 99.53 2.77e-150 . . . . 4350 1 20 no PDB 1E4Y . "Mutant P9l Of Adenylate Kinase From E. Coli, Modified In The Gly-Loop" . . . . . 100.00 214 99.07 99.07 4.77e-149 . . . . 4350 1 21 no PDB 2ECK . "Structure Of Phosphotransferase" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 22 no PDB 3HPQ . "Crystal Structure Of Wild-Type Adenylate Kinase From E. Coli, In Complex With Ap5a" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 23 no PDB 3HPR . "Crystal Structure Of V148g Adenylate Kinase From E. Coli, In Complex With Ap5a" . . . . . 100.00 214 99.53 99.53 2.63e-150 . . . . 4350 1 24 no PDB 3X2S . "Crystal Structure Of Pyrene-conjugated Adenylate Kinase" . . . . . 100.00 214 98.60 98.60 7.97e-149 . . . . 4350 1 25 no PDB 4AKE . "Adenylate Kinase" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 26 no PDB 4JZK . "Crystal Structure Of Adenylate Kinase Of E. Coli With Adp/amp Bound" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 27 no PDB 4X8H . "Crystal Structure Of E. Coli Adenylate Kinase P177a Mutant" . . . . . 100.00 214 99.53 99.53 1.85e-150 . . . . 4350 1 28 no PDB 4X8L . "Crystal Structure Of E. Coli Adenylate Kinase P177a Mutant In Complex With Inhibitor Ap5a" . . . . . 100.00 214 99.53 99.53 1.85e-150 . . . . 4350 1 29 no PDB 4X8M . "Crystal Structure Of E. Coli Adenylate Kinase Y171w Mutant" . . . . . 100.00 214 99.53 100.00 3.36e-151 . . . . 4350 1 30 no PDB 4X8O . "Crystal Structure Of E. Coli Adenylate Kinase Y171w Mutant In Complex With Inhibitor Ap5a" . . . . . 100.00 214 99.53 100.00 3.36e-151 . . . . 4350 1 31 no DBJ BAA14303 . "adenylate kinase [Escherichia coli K-12]" . . . . . 50.00 107 100.00 100.00 1.16e-68 . . . . 4350 1 32 no DBJ BAB33950 . "adenylate kinase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 33 no DBJ BAE76253 . "adenylate kinase [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 34 no DBJ BAG76023 . "adenylate kinase [Escherichia coli SE11]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 35 no DBJ BAI23848 . "adenylate kinase Adk [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 36 no EMBL CAA26840 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 37 no EMBL CAF33430 . "adenylate kinase [Escherichia coli]" . . . . . 71.96 154 100.00 100.00 3.99e-106 . . . . 4350 1 38 no EMBL CAF33431 . "adenylate kinase, partial [Escherichia coli]" . . . . . 71.96 154 100.00 100.00 3.99e-106 . . . . 4350 1 39 no EMBL CAF33432 . "adenylate kinase, partial [Escherichia coli]" . . . . . 71.96 154 100.00 100.00 3.99e-106 . . . . 4350 1 40 no EMBL CAF33433 . "adenylate kinase, partial [Escherichia coli]" . . . . . 71.96 154 100.00 100.00 3.99e-106 . . . . 4350 1 41 no GB AAA23461 . "adk ORF [Escherichia coli]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 42 no GB AAB40228 . "adenylate kinase [Escherichia coli]" . . . . . 100.00 233 100.00 100.00 6.36e-152 . . . . 4350 1 43 no GB AAC73576 . "adenylate kinase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 44 no GB AAG54823 . "adenylate kinase activity; pleiotropic effects on glycerol-3-phosphate acyltransferase activity [Escherichia coli O157:H7 str. " . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 45 no GB AAM94352 . "adenylate kinase [Escherichia coli]" . . . . . 79.91 171 100.00 100.00 1.34e-119 . . . . 4350 1 46 no REF NP_308554 . "adenylate kinase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 47 no REF NP_415007 . "adenylate kinase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 48 no REF NP_706367 . "adenylate kinase [Shigella flexneri 2a str. 301]" . . . . . 100.00 214 99.53 99.53 1.75e-150 . . . . 4350 1 49 no REF WP_001220233 . "MULTISPECIES: adenylate kinase [Proteobacteria]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 50 no REF WP_001220235 . "adenylate kinase [Shigella flexneri]" . . . . . 100.00 214 99.53 99.53 1.75e-150 . . . . 4350 1 51 no SP A7ZIN4 . "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 52 no SP A7ZXD2 . "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 53 no SP B1IZC0 . "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 54 no SP B1LJN2 . "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 55 no SP B1XFR1 . "RecName: Full=Adenylate kinase; Short=AK; AltName: Full=ATP-AMP transphosphorylase; AltName: Full=ATP:AMP phosphotransferase; A" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4350 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Adenylate kinase from E. coli' common 4350 1 AK abbreviation 4350 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 1 MET . 4350 1 2 2 ARG . 4350 1 3 3 ILE . 4350 1 4 4 ILE . 4350 1 5 5 LEU . 4350 1 6 6 LEU . 4350 1 7 7 GLY . 4350 1 8 8 ALA . 4350 1 9 9 PRO . 4350 1 10 10 GLY . 4350 1 11 11 ALA . 4350 1 12 12 GLY . 4350 1 13 13 LYS . 4350 1 14 14 GLY . 4350 1 15 15 THR . 4350 1 16 16 GLN . 4350 1 17 17 ALA . 4350 1 18 18 GLN . 4350 1 19 19 PHE . 4350 1 20 20 ILE . 4350 1 21 21 MET . 4350 1 22 22 GLU . 4350 1 23 23 LYS . 4350 1 24 24 TYR . 4350 1 25 25 GLY . 4350 1 26 26 ILE . 4350 1 27 27 PRO . 4350 1 28 28 GLN . 4350 1 29 29 ILE . 4350 1 30 30 SER . 4350 1 31 31 THR . 4350 1 32 32 GLY . 4350 1 33 33 ASP . 4350 1 34 34 MET . 4350 1 35 35 LEU . 4350 1 36 36 ARG . 4350 1 37 37 ALA . 4350 1 38 38 ALA . 4350 1 39 39 VAL . 4350 1 40 40 LYS . 4350 1 41 41 SER . 4350 1 42 42 GLY . 4350 1 43 43 SER . 4350 1 44 44 GLU . 4350 1 45 45 LEU . 4350 1 46 46 GLY . 4350 1 47 47 LYS . 4350 1 48 48 GLN . 4350 1 49 49 ALA . 4350 1 50 50 LYS . 4350 1 51 51 ASP . 4350 1 52 52 ILE . 4350 1 53 53 MET . 4350 1 54 54 ASP . 4350 1 55 55 ALA . 4350 1 56 56 GLY . 4350 1 57 57 LYS . 4350 1 58 58 LEU . 4350 1 59 59 VAL . 4350 1 60 60 THR . 4350 1 61 61 ASP . 4350 1 62 62 GLU . 4350 1 63 63 LEU . 4350 1 64 64 VAL . 4350 1 65 65 ILE . 4350 1 66 66 ALA . 4350 1 67 67 LEU . 4350 1 68 68 VAL . 4350 1 69 69 LYS . 4350 1 70 70 GLU . 4350 1 71 71 ARG . 4350 1 72 72 ILE . 4350 1 73 73 ALA . 4350 1 74 74 GLN . 4350 1 75 75 GLU . 4350 1 76 76 ASP . 4350 1 77 77 CYS . 4350 1 78 78 ARG . 4350 1 79 79 ASN . 4350 1 80 80 GLY . 4350 1 81 81 PHE . 4350 1 82 82 LEU . 4350 1 83 83 LEU . 4350 1 84 84 ASP . 4350 1 85 85 GLY . 4350 1 86 86 PHE . 4350 1 87 87 PRO . 4350 1 88 88 ARG . 4350 1 89 89 THR . 4350 1 90 90 ILE . 4350 1 91 91 PRO . 4350 1 92 92 GLN . 4350 1 93 93 ALA . 4350 1 94 94 ASP . 4350 1 95 95 ALA . 4350 1 96 96 MET . 4350 1 97 97 LYS . 4350 1 98 98 GLU . 4350 1 99 99 ALA . 4350 1 100 100 GLY . 4350 1 101 101 ILE . 4350 1 102 102 ASN . 4350 1 103 103 VAL . 4350 1 104 104 ASP . 4350 1 105 105 TYR . 4350 1 106 106 VAL . 4350 1 107 107 LEU . 4350 1 108 108 GLU . 4350 1 109 109 PHE . 4350 1 110 110 ASP . 4350 1 111 111 VAL . 4350 1 112 112 PRO . 4350 1 113 113 ASP . 4350 1 114 114 GLU . 4350 1 115 115 LEU . 4350 1 116 116 ILE . 4350 1 117 117 VAL . 4350 1 118 118 ASP . 4350 1 119 119 ARG . 4350 1 120 120 ILE . 4350 1 121 121 VAL . 4350 1 122 122 GLY . 4350 1 123 123 ARG . 4350 1 124 124 ARG . 4350 1 125 125 VAL . 4350 1 126 126 HIS . 4350 1 127 127 ALA . 4350 1 128 128 PRO . 4350 1 129 129 SER . 4350 1 130 130 GLY . 4350 1 131 131 ARG . 4350 1 132 132 VAL . 4350 1 133 133 TYR . 4350 1 134 134 HIS . 4350 1 135 135 VAL . 4350 1 136 136 LYS . 4350 1 137 137 PHE . 4350 1 138 138 ASN . 4350 1 139 139 PRO . 4350 1 140 140 PRO . 4350 1 141 141 LYS . 4350 1 142 142 VAL . 4350 1 143 143 GLU . 4350 1 144 144 GLY . 4350 1 145 145 LYS . 4350 1 146 146 ASP . 4350 1 147 147 ASP . 4350 1 148 148 VAL . 4350 1 149 149 THR . 4350 1 150 150 GLY . 4350 1 151 151 GLU . 4350 1 152 152 GLU . 4350 1 153 153 LEU . 4350 1 154 154 THR . 4350 1 155 155 THR . 4350 1 156 156 ARG . 4350 1 157 157 LYS . 4350 1 158 158 ASP . 4350 1 159 159 ASP . 4350 1 160 160 GLN . 4350 1 161 161 GLU . 4350 1 162 162 GLU . 4350 1 163 163 THR . 4350 1 164 164 VAL . 4350 1 165 165 ARG . 4350 1 166 166 LYS . 4350 1 167 167 ARG . 4350 1 168 168 LEU . 4350 1 169 169 VAL . 4350 1 170 170 GLU . 4350 1 171 171 TYR . 4350 1 172 172 HIS . 4350 1 173 173 GLN . 4350 1 174 174 MET . 4350 1 175 175 THR . 4350 1 176 176 ALA . 4350 1 177 177 PRO . 4350 1 178 178 LEU . 4350 1 179 179 ILE . 4350 1 180 180 GLY . 4350 1 181 181 TYR . 4350 1 182 182 TYR . 4350 1 183 183 SER . 4350 1 184 184 LYS . 4350 1 185 185 GLU . 4350 1 186 186 ALA . 4350 1 187 187 GLU . 4350 1 188 188 ALA . 4350 1 189 189 GLY . 4350 1 190 190 ASN . 4350 1 191 191 THR . 4350 1 192 192 LYS . 4350 1 193 193 TYR . 4350 1 194 194 ALA . 4350 1 195 195 LYS . 4350 1 196 196 VAL . 4350 1 197 197 ASP . 4350 1 198 198 GLY . 4350 1 199 199 THR . 4350 1 200 200 LYS . 4350 1 201 201 PRO . 4350 1 202 202 VAL . 4350 1 203 203 ALA . 4350 1 204 204 GLU . 4350 1 205 205 VAL . 4350 1 206 206 ARG . 4350 1 207 207 ALA . 4350 1 208 208 ASP . 4350 1 209 209 LEU . 4350 1 210 210 GLU . 4350 1 211 211 LYS . 4350 1 212 212 ILE . 4350 1 213 213 LEU . 4350 1 214 214 GLY . 4350 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 . MET 1 1 4350 1 . ARG 2 2 4350 1 . ILE 3 3 4350 1 . ILE 4 4 4350 1 . LEU 5 5 4350 1 . LEU 6 6 4350 1 . GLY 7 7 4350 1 . ALA 8 8 4350 1 . PRO 9 9 4350 1 . GLY 10 10 4350 1 . ALA 11 11 4350 1 . GLY 12 12 4350 1 . LYS 13 13 4350 1 . GLY 14 14 4350 1 . THR 15 15 4350 1 . GLN 16 16 4350 1 . ALA 17 17 4350 1 . GLN 18 18 4350 1 . PHE 19 19 4350 1 . ILE 20 20 4350 1 . MET 21 21 4350 1 . GLU 22 22 4350 1 . LYS 23 23 4350 1 . TYR 24 24 4350 1 . GLY 25 25 4350 1 . ILE 26 26 4350 1 . PRO 27 27 4350 1 . GLN 28 28 4350 1 . ILE 29 29 4350 1 . SER 30 30 4350 1 . THR 31 31 4350 1 . GLY 32 32 4350 1 . ASP 33 33 4350 1 . MET 34 34 4350 1 . LEU 35 35 4350 1 . ARG 36 36 4350 1 . ALA 37 37 4350 1 . ALA 38 38 4350 1 . VAL 39 39 4350 1 . LYS 40 40 4350 1 . SER 41 41 4350 1 . GLY 42 42 4350 1 . SER 43 43 4350 1 . GLU 44 44 4350 1 . LEU 45 45 4350 1 . GLY 46 46 4350 1 . LYS 47 47 4350 1 . GLN 48 48 4350 1 . ALA 49 49 4350 1 . LYS 50 50 4350 1 . ASP 51 51 4350 1 . ILE 52 52 4350 1 . MET 53 53 4350 1 . ASP 54 54 4350 1 . ALA 55 55 4350 1 . GLY 56 56 4350 1 . LYS 57 57 4350 1 . LEU 58 58 4350 1 . VAL 59 59 4350 1 . THR 60 60 4350 1 . ASP 61 61 4350 1 . GLU 62 62 4350 1 . LEU 63 63 4350 1 . VAL 64 64 4350 1 . ILE 65 65 4350 1 . ALA 66 66 4350 1 . LEU 67 67 4350 1 . VAL 68 68 4350 1 . LYS 69 69 4350 1 . GLU 70 70 4350 1 . ARG 71 71 4350 1 . ILE 72 72 4350 1 . ALA 73 73 4350 1 . GLN 74 74 4350 1 . GLU 75 75 4350 1 . ASP 76 76 4350 1 . CYS 77 77 4350 1 . ARG 78 78 4350 1 . ASN 79 79 4350 1 . GLY 80 80 4350 1 . PHE 81 81 4350 1 . LEU 82 82 4350 1 . LEU 83 83 4350 1 . ASP 84 84 4350 1 . GLY 85 85 4350 1 . PHE 86 86 4350 1 . PRO 87 87 4350 1 . ARG 88 88 4350 1 . THR 89 89 4350 1 . ILE 90 90 4350 1 . PRO 91 91 4350 1 . GLN 92 92 4350 1 . ALA 93 93 4350 1 . ASP 94 94 4350 1 . ALA 95 95 4350 1 . MET 96 96 4350 1 . LYS 97 97 4350 1 . GLU 98 98 4350 1 . ALA 99 99 4350 1 . GLY 100 100 4350 1 . ILE 101 101 4350 1 . ASN 102 102 4350 1 . VAL 103 103 4350 1 . ASP 104 104 4350 1 . TYR 105 105 4350 1 . VAL 106 106 4350 1 . LEU 107 107 4350 1 . GLU 108 108 4350 1 . PHE 109 109 4350 1 . ASP 110 110 4350 1 . VAL 111 111 4350 1 . PRO 112 112 4350 1 . ASP 113 113 4350 1 . GLU 114 114 4350 1 . LEU 115 115 4350 1 . ILE 116 116 4350 1 . VAL 117 117 4350 1 . ASP 118 118 4350 1 . ARG 119 119 4350 1 . ILE 120 120 4350 1 . VAL 121 121 4350 1 . GLY 122 122 4350 1 . ARG 123 123 4350 1 . ARG 124 124 4350 1 . VAL 125 125 4350 1 . HIS 126 126 4350 1 . ALA 127 127 4350 1 . PRO 128 128 4350 1 . SER 129 129 4350 1 . GLY 130 130 4350 1 . ARG 131 131 4350 1 . VAL 132 132 4350 1 . TYR 133 133 4350 1 . HIS 134 134 4350 1 . VAL 135 135 4350 1 . LYS 136 136 4350 1 . PHE 137 137 4350 1 . ASN 138 138 4350 1 . PRO 139 139 4350 1 . PRO 140 140 4350 1 . LYS 141 141 4350 1 . VAL 142 142 4350 1 . GLU 143 143 4350 1 . GLY 144 144 4350 1 . LYS 145 145 4350 1 . ASP 146 146 4350 1 . ASP 147 147 4350 1 . VAL 148 148 4350 1 . THR 149 149 4350 1 . GLY 150 150 4350 1 . GLU 151 151 4350 1 . GLU 152 152 4350 1 . LEU 153 153 4350 1 . THR 154 154 4350 1 . THR 155 155 4350 1 . ARG 156 156 4350 1 . LYS 157 157 4350 1 . ASP 158 158 4350 1 . ASP 159 159 4350 1 . GLN 160 160 4350 1 . GLU 161 161 4350 1 . GLU 162 162 4350 1 . THR 163 163 4350 1 . VAL 164 164 4350 1 . ARG 165 165 4350 1 . LYS 166 166 4350 1 . ARG 167 167 4350 1 . LEU 168 168 4350 1 . VAL 169 169 4350 1 . GLU 170 170 4350 1 . TYR 171 171 4350 1 . HIS 172 172 4350 1 . GLN 173 173 4350 1 . MET 174 174 4350 1 . THR 175 175 4350 1 . ALA 176 176 4350 1 . PRO 177 177 4350 1 . LEU 178 178 4350 1 . ILE 179 179 4350 1 . GLY 180 180 4350 1 . TYR 181 181 4350 1 . TYR 182 182 4350 1 . SER 183 183 4350 1 . LYS 184 184 4350 1 . GLU 185 185 4350 1 . ALA 186 186 4350 1 . GLU 187 187 4350 1 . ALA 188 188 4350 1 . GLY 189 189 4350 1 . ASN 190 190 4350 1 . THR 191 191 4350 1 . LYS 192 192 4350 1 . TYR 193 193 4350 1 . ALA 194 194 4350 1 . LYS 195 195 4350 1 . VAL 196 196 4350 1 . ASP 197 197 4350 1 . GLY 198 198 4350 1 . THR 199 199 4350 1 . LYS 200 200 4350 1 . PRO 201 201 4350 1 . VAL 202 202 4350 1 . ALA 203 203 4350 1 . GLU 204 204 4350 1 . VAL 205 205 4350 1 . ARG 206 206 4350 1 . ALA 207 207 4350 1 . ASP 208 208 4350 1 . LEU 209 209 4350 1 . GLU 210 210 4350 1 . LYS 211 211 4350 1 . ILE 212 212 4350 1 . LEU 213 213 4350 1 . GLY 214 214 4350 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 4350 _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 $AK . 562 . . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4350 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 4350 _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 $AK . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'HfrP4x8 ColE1' . . . . . . . . . . . . plasmid . . 'pIPD37 (derived of pBR322)' . . . . . . 4350 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4350 _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 'Adenylate kinase from E. coli' . . . 1 $AK . . 1.4 . . mM . . . . 4350 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4350 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details H2O:93%/D2O:7% _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 'Adenylate kinase from E. coli' [U-15N] . . 1 $AK . . 1.2 . . mM . . . . 4350 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4350 _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 . n/a 4350 1 temperature 308 . K 4350 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4350 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity-500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4350 _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_spectrometer1 Varian Unity-500 . 500 . . . 4350 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 4350 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4350 1 2 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4350 1 3 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4350 1 4 1H-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4350 1 5 1H-COSY-DQF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4350 1 6 1H-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4350 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 4350 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-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 4350 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4350 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4350 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 1H-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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4350 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 1H-COSY-DQF _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 4350 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 1H-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 4350 _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 water protons . . . . ppm 4.68 internal direct 1.0 . . . . . . . . . 4350 1 N 15 water protons . . . . ppm 118.04 . indirect 0.101329118 . . . . . . . . . 4350 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_shift_AK _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_AK _Assigned_chem_shift_list.Entry_ID 4350 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 . 4350 1 . . 2 $sample_two . 4350 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG H H 1 9.66 0.01 . 1 . . . . . . . . 4350 1 2 . 1 1 2 2 ARG N N 15 125.4 0.1 . 1 . . . . . . . . 4350 1 3 . 1 1 3 3 ILE H H 1 8.20 0.01 . 1 . . . . . . . . 4350 1 4 . 1 1 3 3 ILE HA H 1 5.34 0.01 . 1 . . . . . . . . 4350 1 5 . 1 1 3 3 ILE HB H 1 1.52 0.01 . 1 . . . . . . . . 4350 1 6 . 1 1 3 3 ILE HG21 H 1 0.78 0.01 . 1 . . . . . . . . 4350 1 7 . 1 1 3 3 ILE HG22 H 1 0.78 0.01 . 1 . . . . . . . . 4350 1 8 . 1 1 3 3 ILE HG23 H 1 0.78 0.01 . 1 . . . . . . . . 4350 1 9 . 1 1 3 3 ILE HD11 H 1 0.88 0.01 . 1 . . . . . . . . 4350 1 10 . 1 1 3 3 ILE HD12 H 1 0.88 0.01 . 1 . . . . . . . . 4350 1 11 . 1 1 3 3 ILE HD13 H 1 0.88 0.01 . 1 . . . . . . . . 4350 1 12 . 1 1 3 3 ILE HG12 H 1 0.68 0.01 . 1 . . . . . . . . 4350 1 13 . 1 1 3 3 ILE N N 15 123.7 0.1 . 1 . . . . . . . . 4350 1 14 . 1 1 4 4 ILE H H 1 8.72 0.01 . 1 . . . . . . . . 4350 1 15 . 1 1 4 4 ILE HA H 1 4.84 0.01 . 1 . . . . . . . . 4350 1 16 . 1 1 4 4 ILE N N 15 125.5 0.1 . 1 . . . . . . . . 4350 1 17 . 1 1 5 5 LEU H H 1 8.36 0.01 . 1 . . . . . . . . 4350 1 18 . 1 1 5 5 LEU HA H 1 5.23 0.01 . 1 . . . . . . . . 4350 1 19 . 1 1 5 5 LEU N N 15 124.3 0.1 . 1 . . . . . . . . 4350 1 20 . 1 1 6 6 LEU H H 1 9.40 0.01 . 1 . . . . . . . . 4350 1 21 . 1 1 6 6 LEU HA H 1 4.96 0.01 . 1 . . . . . . . . 4350 1 22 . 1 1 6 6 LEU N N 15 126.3 0.1 . 1 . . . . . . . . 4350 1 23 . 1 1 7 7 GLY H H 1 8.94 0.01 . 1 . . . . . . . . 4350 1 24 . 1 1 7 7 GLY HA2 H 1 4.00 0.01 . 2 . . . . . . . . 4350 1 25 . 1 1 7 7 GLY N N 15 109.8 0.1 . 1 . . . . . . . . 4350 1 26 . 1 1 8 8 ALA H H 1 8.87 0.01 . 1 . . . . . . . . 4350 1 27 . 1 1 8 8 ALA HA H 1 4.87 0.01 . 1 . . . . . . . . 4350 1 28 . 1 1 8 8 ALA N N 15 126.5 0.1 . 1 . . . . . . . . 4350 1 29 . 1 1 16 16 GLN H H 1 7.60 0.01 . 1 . . . . . . . . 4350 1 30 . 1 1 16 16 GLN HA H 1 5.15 0.01 . 1 . . . . . . . . 4350 1 31 . 1 1 16 16 GLN N N 15 117.2 0.1 . 1 . . . . . . . . 4350 1 32 . 1 1 17 17 ALA H H 1 9.09 0.01 . 1 . . . . . . . . 4350 1 33 . 1 1 17 17 ALA HA H 1 3.87 0.01 . 1 . . . . . . . . 4350 1 34 . 1 1 17 17 ALA N N 15 124.0 0.1 . 1 . . . . . . . . 4350 1 35 . 1 1 18 18 GLN H H 1 7.25 0.01 . 1 . . . . . . . . 4350 1 36 . 1 1 18 18 GLN HA H 1 3.95 0.01 . 1 . . . . . . . . 4350 1 37 . 1 1 18 18 GLN HB2 H 1 1.96 0.01 . 2 . . . . . . . . 4350 1 38 . 1 1 18 18 GLN HG2 H 1 2.42 0.01 . 2 . . . . . . . . 4350 1 39 . 1 1 18 18 GLN N N 15 114.4 0.1 . 1 . . . . . . . . 4350 1 40 . 1 1 19 19 PHE H H 1 6.80 0.01 . 1 . . . . . . . . 4350 1 41 . 1 1 19 19 PHE HA H 1 4.56 0.01 . 1 . . . . . . . . 4350 1 42 . 1 1 19 19 PHE HB2 H 1 3.30 0.01 . 2 . . . . . . . . 4350 1 43 . 1 1 19 19 PHE HB3 H 1 3.41 0.01 . 2 . . . . . . . . 4350 1 44 . 1 1 19 19 PHE HD1 H 1 7.34 0.01 . 1 . . . . . . . . 4350 1 45 . 1 1 19 19 PHE HD2 H 1 7.34 0.01 . 1 . . . . . . . . 4350 1 46 . 1 1 19 19 PHE N N 15 118.1 0.1 . 1 . . . . . . . . 4350 1 47 . 1 1 20 20 ILE H H 1 7.98 0.01 . 1 . . . . . . . . 4350 1 48 . 1 1 20 20 ILE N N 15 121.3 0.1 . 1 . . . . . . . . 4350 1 49 . 1 1 21 21 MET H H 1 8.49 0.01 . 1 . . . . . . . . 4350 1 50 . 1 1 21 21 MET HA H 1 4.36 0.01 . 1 . . . . . . . . 4350 1 51 . 1 1 21 21 MET N N 15 120.2 0.1 . 1 . . . . . . . . 4350 1 52 . 1 1 22 22 GLU H H 1 7.51 0.01 . 1 . . . . . . . . 4350 1 53 . 1 1 22 22 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 4350 1 54 . 1 1 22 22 GLU N N 15 118.6 0.1 . 1 . . . . . . . . 4350 1 55 . 1 1 23 23 LYS H H 1 8.06 0.01 . 1 . . . . . . . . 4350 1 56 . 1 1 23 23 LYS HA H 1 3.90 0.01 . 1 . . . . . . . . 4350 1 57 . 1 1 23 23 LYS N N 15 119.2 0.1 . 1 . . . . . . . . 4350 1 58 . 1 1 24 24 TYR H H 1 8.17 0.01 . 1 . . . . . . . . 4350 1 59 . 1 1 24 24 TYR HA H 1 4.47 0.01 . 1 . . . . . . . . 4350 1 60 . 1 1 24 24 TYR HB2 H 1 3.20 0.01 . 2 . . . . . . . . 4350 1 61 . 1 1 24 24 TYR HD1 H 1 7.24 0.01 . 1 . . . . . . . . 4350 1 62 . 1 1 24 24 TYR HD2 H 1 7.24 0.01 . 1 . . . . . . . . 4350 1 63 . 1 1 24 24 TYR HE1 H 1 6.56 0.01 . 1 . . . . . . . . 4350 1 64 . 1 1 24 24 TYR HE2 H 1 6.56 0.01 . 1 . . . . . . . . 4350 1 65 . 1 1 24 24 TYR N N 15 113.3 0.1 . 1 . . . . . . . . 4350 1 66 . 1 1 25 25 GLY H H 1 7.78 0.01 . 1 . . . . . . . . 4350 1 67 . 1 1 25 25 GLY HA2 H 1 4.00 0.01 . 2 . . . . . . . . 4350 1 68 . 1 1 25 25 GLY HA3 H 1 3.90 0.01 . 2 . . . . . . . . 4350 1 69 . 1 1 25 25 GLY N N 15 109.7 0.1 . 1 . . . . . . . . 4350 1 70 . 1 1 26 26 ILE H H 1 6.86 0.01 . 1 . . . . . . . . 4350 1 71 . 1 1 26 26 ILE HA H 1 4.80 0.01 . 1 . . . . . . . . 4350 1 72 . 1 1 26 26 ILE N N 15 113.0 0.1 . 1 . . . . . . . . 4350 1 73 . 1 1 28 28 GLN H H 1 8.39 0.01 . 1 . . . . . . . . 4350 1 74 . 1 1 28 28 GLN HA H 1 5.05 0.01 . 1 . . . . . . . . 4350 1 75 . 1 1 28 28 GLN N N 15 122.7 0.1 . 1 . . . . . . . . 4350 1 76 . 1 1 29 29 ILE H H 1 9.28 0.01 . 1 . . . . . . . . 4350 1 77 . 1 1 29 29 ILE HA H 1 4.25 0.01 . 1 . . . . . . . . 4350 1 78 . 1 1 29 29 ILE N N 15 125.5 0.1 . 1 . . . . . . . . 4350 1 79 . 1 1 30 30 SER H H 1 8.74 0.01 . 1 . . . . . . . . 4350 1 80 . 1 1 30 30 SER HA H 1 5.86 0.01 . 1 . . . . . . . . 4350 1 81 . 1 1 30 30 SER HB2 H 1 3.92 0.01 . 1 . . . . . . . . 4350 1 82 . 1 1 30 30 SER HB3 H 1 3.92 0.01 . 1 . . . . . . . . 4350 1 83 . 1 1 31 31 THR H H 1 7.95 0.01 . 1 . . . . . . . . 4350 1 84 . 1 1 31 31 THR N N 15 118.6 0.1 . 1 . . . . . . . . 4350 1 85 . 1 1 33 33 ASP H H 1 8.03 0.01 . 1 . . . . . . . . 4350 1 86 . 1 1 33 33 ASP HA H 1 4.38 0.01 . 1 . . . . . . . . 4350 1 87 . 1 1 33 33 ASP HB2 H 1 2.70 0.01 . 2 . . . . . . . . 4350 1 88 . 1 1 33 33 ASP HB3 H 1 2.83 0.01 . 2 . . . . . . . . 4350 1 89 . 1 1 33 33 ASP N N 15 122.8 0.1 . 1 . . . . . . . . 4350 1 90 . 1 1 34 34 MET H H 1 8.28 0.01 . 1 . . . . . . . . 4350 1 91 . 1 1 34 34 MET N N 15 119.5 0.1 . 1 . . . . . . . . 4350 1 92 . 1 1 35 35 LEU H H 1 8.60 0.01 . 1 . . . . . . . . 4350 1 93 . 1 1 35 35 LEU HA H 1 3.86 0.01 . 1 . . . . . . . . 4350 1 94 . 1 1 35 35 LEU N N 15 122.3 0.1 . 1 . . . . . . . . 4350 1 95 . 1 1 36 36 ARG H H 1 8.60 0.01 . 1 . . . . . . . . 4350 1 96 . 1 1 36 36 ARG N N 15 119.6 0.1 . 1 . . . . . . . . 4350 1 97 . 1 1 37 37 ALA H H 1 8.17 0.01 . 1 . . . . . . . . 4350 1 98 . 1 1 37 37 ALA HA H 1 4.12 0.01 . 1 . . . . . . . . 4350 1 99 . 1 1 37 37 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . 4350 1 100 . 1 1 37 37 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . 4350 1 101 . 1 1 37 37 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . 4350 1 102 . 1 1 37 37 ALA N N 15 122.7 0.1 . 1 . . . . . . . . 4350 1 103 . 1 1 38 38 ALA H H 1 7.84 0.01 . 1 . . . . . . . . 4350 1 104 . 1 1 38 38 ALA HA H 1 4.17 0.01 . 1 . . . . . . . . 4350 1 105 . 1 1 38 38 ALA HB1 H 1 1.41 0.01 . 1 . . . . . . . . 4350 1 106 . 1 1 38 38 ALA HB2 H 1 1.41 0.01 . 1 . . . . . . . . 4350 1 107 . 1 1 38 38 ALA HB3 H 1 1.41 0.01 . 1 . . . . . . . . 4350 1 108 . 1 1 38 38 ALA N N 15 123.3 0.1 . 1 . . . . . . . . 4350 1 109 . 1 1 39 39 VAL H H 1 8.23 0.01 . 1 . . . . . . . . 4350 1 110 . 1 1 39 39 VAL HA H 1 3.43 0.01 . 1 . . . . . . . . 4350 1 111 . 1 1 39 39 VAL HB H 1 2.23 0.01 . 1 . . . . . . . . 4350 1 112 . 1 1 39 39 VAL N N 15 119.7 0.1 . 1 . . . . . . . . 4350 1 113 . 1 1 40 40 LYS H H 1 7.89 0.01 . 1 . . . . . . . . 4350 1 114 . 1 1 40 40 LYS HA H 1 4.06 0.01 . 1 . . . . . . . . 4350 1 115 . 1 1 40 40 LYS HB2 H 1 1.92 0.01 . 2 . . . . . . . . 4350 1 116 . 1 1 40 40 LYS HB3 H 1 1.96 0.01 . 2 . . . . . . . . 4350 1 117 . 1 1 40 40 LYS N N 15 120.7 0.1 . 1 . . . . . . . . 4350 1 118 . 1 1 41 41 SER H H 1 8.04 0.01 . 1 . . . . . . . . 4350 1 119 . 1 1 41 41 SER HA H 1 4.34 0.01 . 1 . . . . . . . . 4350 1 120 . 1 1 41 41 SER HB2 H 1 4.12 0.01 . 2 . . . . . . . . 4350 1 121 . 1 1 41 41 SER HB3 H 1 4.04 0.01 . 2 . . . . . . . . 4350 1 122 . 1 1 41 41 SER N N 15 113.0 0.1 . 1 . . . . . . . . 4350 1 123 . 1 1 42 42 GLY H H 1 7.81 0.01 . 1 . . . . . . . . 4350 1 124 . 1 1 42 42 GLY HA2 H 1 4.09 0.01 . 2 . . . . . . . . 4350 1 125 . 1 1 42 42 GLY HA3 H 1 3.93 0.01 . 2 . . . . . . . . 4350 1 126 . 1 1 42 42 GLY N N 15 110.0 0.1 . 1 . . . . . . . . 4350 1 127 . 1 1 43 43 SER H H 1 7.67 0.01 . 1 . . . . . . . . 4350 1 128 . 1 1 43 43 SER HA H 1 4.44 0.01 . 1 . . . . . . . . 4350 1 129 . 1 1 43 43 SER N N 15 114.5 0.1 . 1 . . . . . . . . 4350 1 130 . 1 1 45 45 LEU H H 1 8.15 0.01 . 1 . . . . . . . . 4350 1 131 . 1 1 45 45 LEU HA H 1 4.06 0.01 . 1 . . . . . . . . 4350 1 132 . 1 1 45 45 LEU N N 15 120.2 0.1 . 1 . . . . . . . . 4350 1 133 . 1 1 46 46 GLY H H 1 7.81 0.01 . 1 . . . . . . . . 4350 1 134 . 1 1 46 46 GLY HA2 H 1 3.38 0.01 . 2 . . . . . . . . 4350 1 135 . 1 1 46 46 GLY HA3 H 1 3.65 0.01 . 2 . . . . . . . . 4350 1 136 . 1 1 46 46 GLY N N 15 107.2 0.1 . 1 . . . . . . . . 4350 1 137 . 1 1 47 47 LYS H H 1 8.30 0.01 . 1 . . . . . . . . 4350 1 138 . 1 1 47 47 LYS HA H 1 4.01 0.01 . 1 . . . . . . . . 4350 1 139 . 1 1 47 47 LYS HB2 H 1 1.93 0.01 . 1 . . . . . . . . 4350 1 140 . 1 1 47 47 LYS HB3 H 1 1.93 0.01 . 1 . . . . . . . . 4350 1 141 . 1 1 47 47 LYS N N 15 121.3 0.1 . 1 . . . . . . . . 4350 1 142 . 1 1 48 48 GLN H H 1 7.67 0.01 . 1 . . . . . . . . 4350 1 143 . 1 1 48 48 GLN HA H 1 4.20 0.01 . 1 . . . . . . . . 4350 1 144 . 1 1 48 48 GLN HB2 H 1 2.20 0.01 . 2 . . . . . . . . 4350 1 145 . 1 1 48 48 GLN HB3 H 1 2.10 0.01 . 2 . . . . . . . . 4350 1 146 . 1 1 48 48 GLN HG2 H 1 2.39 0.01 . 2 . . . . . . . . 4350 1 147 . 1 1 48 48 GLN HG3 H 1 2.59 0.01 . 2 . . . . . . . . 4350 1 148 . 1 1 48 48 GLN N N 15 117.3 0.1 . 1 . . . . . . . . 4350 1 149 . 1 1 49 49 ALA H H 1 8.20 0.01 . 1 . . . . . . . . 4350 1 150 . 1 1 49 49 ALA HA H 1 4.17 0.01 . 1 . . . . . . . . 4350 1 151 . 1 1 49 49 ALA HB1 H 1 1.33 0.01 . 1 . . . . . . . . 4350 1 152 . 1 1 49 49 ALA HB2 H 1 1.33 0.01 . 1 . . . . . . . . 4350 1 153 . 1 1 49 49 ALA HB3 H 1 1.33 0.01 . 1 . . . . . . . . 4350 1 154 . 1 1 49 49 ALA N N 15 119.6 0.1 . 1 . . . . . . . . 4350 1 155 . 1 1 50 50 LYS H H 1 7.98 0.01 . 1 . . . . . . . . 4350 1 156 . 1 1 50 50 LYS HA H 1 3.76 0.01 . 1 . . . . . . . . 4350 1 157 . 1 1 50 50 LYS N N 15 118.5 0.1 . 1 . . . . . . . . 4350 1 158 . 1 1 51 51 ASP H H 1 8.14 0.01 . 1 . . . . . . . . 4350 1 159 . 1 1 51 51 ASP HA H 1 4.39 0.01 . 1 . . . . . . . . 4350 1 160 . 1 1 51 51 ASP HB2 H 1 2.70 0.01 . 2 . . . . . . . . 4350 1 161 . 1 1 51 51 ASP HB3 H 1 2.63 0.01 . 2 . . . . . . . . 4350 1 162 . 1 1 51 51 ASP N N 15 116.5 0.1 . 1 . . . . . . . . 4350 1 163 . 1 1 52 52 ILE H H 1 7.28 0.01 . 1 . . . . . . . . 4350 1 164 . 1 1 52 52 ILE HA H 1 3.78 0.01 . 1 . . . . . . . . 4350 1 165 . 1 1 52 52 ILE HB H 1 1.88 0.01 . 1 . . . . . . . . 4350 1 166 . 1 1 52 52 ILE N N 15 121.2 0.1 . 1 . . . . . . . . 4350 1 167 . 1 1 53 53 MET H H 1 8.30 0.01 . 1 . . . . . . . . 4350 1 168 . 1 1 53 53 MET HA H 1 4.28 0.01 . 1 . . . . . . . . 4350 1 169 . 1 1 53 53 MET HB2 H 1 2.18 0.01 . 2 . . . . . . . . 4350 1 170 . 1 1 53 53 MET N N 15 118.7 0.1 . 1 . . . . . . . . 4350 1 171 . 1 1 54 54 ASP H H 1 8.50 0.01 . 1 . . . . . . . . 4350 1 172 . 1 1 54 54 ASP HA H 1 4.42 0.01 . 1 . . . . . . . . 4350 1 173 . 1 1 54 54 ASP HB2 H 1 2.81 0.01 . 2 . . . . . . . . 4350 1 174 . 1 1 54 54 ASP HB3 H 1 2.64 0.01 . 2 . . . . . . . . 4350 1 175 . 1 1 54 54 ASP N N 15 120.6 0.1 . 1 . . . . . . . . 4350 1 176 . 1 1 55 55 ALA H H 1 7.24 0.01 . 1 . . . . . . . . 4350 1 177 . 1 1 55 55 ALA HA H 1 4.43 0.01 . 1 . . . . . . . . 4350 1 178 . 1 1 55 55 ALA HB1 H 1 1.57 0.01 . 1 . . . . . . . . 4350 1 179 . 1 1 55 55 ALA HB2 H 1 1.57 0.01 . 1 . . . . . . . . 4350 1 180 . 1 1 55 55 ALA HB3 H 1 1.57 0.01 . 1 . . . . . . . . 4350 1 181 . 1 1 55 55 ALA N N 15 119.4 0.1 . 1 . . . . . . . . 4350 1 182 . 1 1 56 56 GLY H H 1 8.00 0.01 . 1 . . . . . . . . 4350 1 183 . 1 1 56 56 GLY HA2 H 1 4.04 0.01 . 2 . . . . . . . . 4350 1 184 . 1 1 56 56 GLY HA3 H 1 3.82 0.01 . 2 . . . . . . . . 4350 1 185 . 1 1 56 56 GLY N N 15 106.3 0.1 . 1 . . . . . . . . 4350 1 186 . 1 1 57 57 LYS H H 1 7.30 0.01 . 1 . . . . . . . . 4350 1 187 . 1 1 57 57 LYS HA H 1 4.50 0.01 . 1 . . . . . . . . 4350 1 188 . 1 1 57 57 LYS N N 15 118.2 0.1 . 1 . . . . . . . . 4350 1 189 . 1 1 60 60 THR H H 1 7.26 0.01 . 1 . . . . . . . . 4350 1 190 . 1 1 60 60 THR N N 15 118.6 0.1 . 1 . . . . . . . . 4350 1 191 . 1 1 61 61 ASP H H 1 8.85 0.01 . 1 . . . . . . . . 4350 1 192 . 1 1 61 61 ASP N N 15 126.0 0.1 . 1 . . . . . . . . 4350 1 193 . 1 1 62 62 GLU H H 1 9.34 0.01 . 1 . . . . . . . . 4350 1 194 . 1 1 62 62 GLU N N 15 116.8 0.1 . 1 . . . . . . . . 4350 1 195 . 1 1 63 63 LEU H H 1 7.01 0.01 . 1 . . . . . . . . 4350 1 196 . 1 1 63 63 LEU HA H 1 4.12 0.01 . 1 . . . . . . . . 4350 1 197 . 1 1 63 63 LEU HB2 H 1 1.77 0.01 . 2 . . . . . . . . 4350 1 198 . 1 1 63 63 LEU HB3 H 1 1.60 0.01 . 2 . . . . . . . . 4350 1 199 . 1 1 63 63 LEU N N 15 117.6 0.1 . 1 . . . . . . . . 4350 1 200 . 1 1 64 64 VAL H H 1 7.16 0.01 . 1 . . . . . . . . 4350 1 201 . 1 1 64 64 VAL HA H 1 3.52 0.01 . 1 . . . . . . . . 4350 1 202 . 1 1 64 64 VAL HB H 1 2.07 0.01 . 1 . . . . . . . . 4350 1 203 . 1 1 64 64 VAL HG11 H 1 0.76 0.01 . 2 . . . . . . . . 4350 1 204 . 1 1 64 64 VAL HG12 H 1 0.76 0.01 . 2 . . . . . . . . 4350 1 205 . 1 1 64 64 VAL HG13 H 1 0.76 0.01 . 2 . . . . . . . . 4350 1 206 . 1 1 64 64 VAL HG21 H 1 0.84 0.01 . 2 . . . . . . . . 4350 1 207 . 1 1 64 64 VAL HG22 H 1 0.84 0.01 . 2 . . . . . . . . 4350 1 208 . 1 1 64 64 VAL HG23 H 1 0.84 0.01 . 2 . . . . . . . . 4350 1 209 . 1 1 64 64 VAL N N 15 115.4 0.1 . 1 . . . . . . . . 4350 1 210 . 1 1 65 65 ILE H H 1 8.85 0.01 . 1 . . . . . . . . 4350 1 211 . 1 1 65 65 ILE N N 15 120.3 0.1 . 1 . . . . . . . . 4350 1 212 . 1 1 66 66 ALA H H 1 7.18 0.01 . 1 . . . . . . . . 4350 1 213 . 1 1 66 66 ALA HA H 1 4.02 0.01 . 1 . . . . . . . . 4350 1 214 . 1 1 66 66 ALA HB1 H 1 1.46 0.01 . 1 . . . . . . . . 4350 1 215 . 1 1 66 66 ALA HB2 H 1 1.46 0.01 . 1 . . . . . . . . 4350 1 216 . 1 1 66 66 ALA HB3 H 1 1.46 0.01 . 1 . . . . . . . . 4350 1 217 . 1 1 66 66 ALA N N 15 119.8 0.1 . 1 . . . . . . . . 4350 1 218 . 1 1 67 67 LEU H H 1 7.22 0.01 . 1 . . . . . . . . 4350 1 219 . 1 1 67 67 LEU N N 15 118.1 0.1 . 1 . . . . . . . . 4350 1 220 . 1 1 68 68 VAL H H 1 7.88 0.01 . 1 . . . . . . . . 4350 1 221 . 1 1 68 68 VAL HA H 1 3.00 0.01 . 1 . . . . . . . . 4350 1 222 . 1 1 68 68 VAL N N 15 119.5 0.1 . 1 . . . . . . . . 4350 1 223 . 1 1 69 69 LYS H H 1 8.38 0.01 . 1 . . . . . . . . 4350 1 224 . 1 1 69 69 LYS HA H 1 3.57 0.01 . 1 . . . . . . . . 4350 1 225 . 1 1 69 69 LYS N N 15 118.4 0.1 . 1 . . . . . . . . 4350 1 226 . 1 1 70 70 GLU H H 1 7.37 0.01 . 1 . . . . . . . . 4350 1 227 . 1 1 70 70 GLU HA H 1 4.02 0.01 . 1 . . . . . . . . 4350 1 228 . 1 1 70 70 GLU N N 15 116.6 0.1 . 1 . . . . . . . . 4350 1 229 . 1 1 71 71 ARG H H 1 7.50 0.01 . 1 . . . . . . . . 4350 1 230 . 1 1 71 71 ARG N N 15 120.4 0.1 . 1 . . . . . . . . 4350 1 231 . 1 1 72 72 ILE H H 1 8.23 0.01 . 1 . . . . . . . . 4350 1 232 . 1 1 72 72 ILE HA H 1 4.60 0.01 . 1 . . . . . . . . 4350 1 233 . 1 1 72 72 ILE N N 15 112.4 0.1 . 1 . . . . . . . . 4350 1 234 . 1 1 73 73 ALA H H 1 6.89 0.01 . 1 . . . . . . . . 4350 1 235 . 1 1 73 73 ALA HA H 1 4.36 0.01 . 1 . . . . . . . . 4350 1 236 . 1 1 73 73 ALA HB1 H 1 1.46 0.01 . 1 . . . . . . . . 4350 1 237 . 1 1 73 73 ALA HB2 H 1 1.46 0.01 . 1 . . . . . . . . 4350 1 238 . 1 1 73 73 ALA HB3 H 1 1.46 0.01 . 1 . . . . . . . . 4350 1 239 . 1 1 73 73 ALA N N 15 121.5 0.1 . 1 . . . . . . . . 4350 1 240 . 1 1 74 74 GLN H H 1 7.23 0.01 . 1 . . . . . . . . 4350 1 241 . 1 1 74 74 GLN HA H 1 4.34 0.01 . 1 . . . . . . . . 4350 1 242 . 1 1 74 74 GLN N N 15 116.6 0.1 . 1 . . . . . . . . 4350 1 243 . 1 1 75 75 GLU H H 1 8.94 0.01 . 1 . . . . . . . . 4350 1 244 . 1 1 75 75 GLU HA H 1 4.04 0.01 . 1 . . . . . . . . 4350 1 245 . 1 1 75 75 GLU N N 15 121.9 0.1 . 1 . . . . . . . . 4350 1 246 . 1 1 76 76 ASP H H 1 8.49 0.01 . 1 . . . . . . . . 4350 1 247 . 1 1 76 76 ASP HA H 1 4.45 0.01 . 1 . . . . . . . . 4350 1 248 . 1 1 76 76 ASP HB2 H 1 3.00 0.01 . 2 . . . . . . . . 4350 1 249 . 1 1 76 76 ASP HB3 H 1 2.84 0.01 . 2 . . . . . . . . 4350 1 250 . 1 1 76 76 ASP N N 15 117.7 0.1 . 1 . . . . . . . . 4350 1 251 . 1 1 77 77 CYS H H 1 7.68 0.01 . 1 . . . . . . . . 4350 1 252 . 1 1 77 77 CYS HA H 1 5.16 0.01 . 1 . . . . . . . . 4350 1 253 . 1 1 77 77 CYS HB2 H 1 3.21 0.01 . 2 . . . . . . . . 4350 1 254 . 1 1 77 77 CYS N N 15 118.0 0.1 . 1 . . . . . . . . 4350 1 255 . 1 1 78 78 ARG H H 1 7.74 0.01 . 1 . . . . . . . . 4350 1 256 . 1 1 78 78 ARG HA H 1 4.15 0.01 . 1 . . . . . . . . 4350 1 257 . 1 1 78 78 ARG N N 15 122.0 0.1 . 1 . . . . . . . . 4350 1 258 . 1 1 79 79 ASN H H 1 8.44 0.01 . 1 . . . . . . . . 4350 1 259 . 1 1 79 79 ASN HA H 1 5.05 0.01 . 1 . . . . . . . . 4350 1 260 . 1 1 79 79 ASN HB2 H 1 3.08 0.01 . 2 . . . . . . . . 4350 1 261 . 1 1 79 79 ASN HB3 H 1 2.75 0.01 . 2 . . . . . . . . 4350 1 262 . 1 1 79 79 ASN N N 15 115.5 0.1 . 1 . . . . . . . . 4350 1 263 . 1 1 80 80 GLY H H 1 7.43 0.01 . 1 . . . . . . . . 4350 1 264 . 1 1 80 80 GLY HA2 H 1 4.88 0.01 . 2 . . . . . . . . 4350 1 265 . 1 1 80 80 GLY HA3 H 1 3.19 0.01 . 2 . . . . . . . . 4350 1 266 . 1 1 80 80 GLY N N 15 107.7 0.1 . 1 . . . . . . . . 4350 1 267 . 1 1 81 81 PHE H H 1 7.58 0.01 . 1 . . . . . . . . 4350 1 268 . 1 1 81 81 PHE HA H 1 4.79 0.01 . 1 . . . . . . . . 4350 1 269 . 1 1 81 81 PHE N N 15 109.5 0.1 . 1 . . . . . . . . 4350 1 270 . 1 1 82 82 LEU H H 1 8.77 0.01 . 1 . . . . . . . . 4350 1 271 . 1 1 82 82 LEU HA H 1 5.22 0.01 . 1 . . . . . . . . 4350 1 272 . 1 1 82 82 LEU HB2 H 1 1.80 0.01 . 1 . . . . . . . . 4350 1 273 . 1 1 82 82 LEU HB3 H 1 1.80 0.01 . 1 . . . . . . . . 4350 1 274 . 1 1 82 82 LEU HG H 1 1.32 0.01 . 1 . . . . . . . . 4350 1 275 . 1 1 82 82 LEU HD11 H 1 0.89 0.01 . 1 . . . . . . . . 4350 1 276 . 1 1 82 82 LEU HD12 H 1 0.89 0.01 . 1 . . . . . . . . 4350 1 277 . 1 1 82 82 LEU HD13 H 1 0.89 0.01 . 1 . . . . . . . . 4350 1 278 . 1 1 82 82 LEU HD21 H 1 0.89 0.01 . 1 . . . . . . . . 4350 1 279 . 1 1 82 82 LEU HD22 H 1 0.89 0.01 . 1 . . . . . . . . 4350 1 280 . 1 1 82 82 LEU HD23 H 1 0.89 0.01 . 1 . . . . . . . . 4350 1 281 . 1 1 82 82 LEU N N 15 121.9 0.1 . 1 . . . . . . . . 4350 1 282 . 1 1 83 83 LEU H H 1 9.64 0.01 . 1 . . . . . . . . 4350 1 283 . 1 1 83 83 LEU HA H 1 4.98 0.01 . 1 . . . . . . . . 4350 1 284 . 1 1 83 83 LEU N N 15 127.8 0.1 . 1 . . . . . . . . 4350 1 285 . 1 1 84 84 ASP H H 1 8.78 0.01 . 1 . . . . . . . . 4350 1 286 . 1 1 84 84 ASP HA H 1 4.88 0.01 . 1 . . . . . . . . 4350 1 287 . 1 1 84 84 ASP HB2 H 1 2.75 0.01 . 2 . . . . . . . . 4350 1 288 . 1 1 84 84 ASP HB3 H 1 2.71 0.01 . 2 . . . . . . . . 4350 1 289 . 1 1 84 84 ASP N N 15 123.5 0.1 . 1 . . . . . . . . 4350 1 290 . 1 1 85 85 GLY H H 1 8.81 0.01 . 1 . . . . . . . . 4350 1 291 . 1 1 85 85 GLY HA2 H 1 4.37 0.01 . 2 . . . . . . . . 4350 1 292 . 1 1 85 85 GLY N N 15 113.8 0.1 . 1 . . . . . . . . 4350 1 293 . 1 1 86 86 PHE H H 1 7.39 0.01 . 1 . . . . . . . . 4350 1 294 . 1 1 86 86 PHE HA H 1 4.45 0.01 . 1 . . . . . . . . 4350 1 295 . 1 1 86 86 PHE HB2 H 1 2.78 0.01 . 2 . . . . . . . . 4350 1 296 . 1 1 86 86 PHE N N 15 119.1 0.1 . 1 . . . . . . . . 4350 1 297 . 1 1 88 88 ARG H H 1 8.30 0.01 . 1 . . . . . . . . 4350 1 298 . 1 1 88 88 ARG HA H 1 4.43 0.01 . 1 . . . . . . . . 4350 1 299 . 1 1 88 88 ARG N N 15 116.5 0.1 . 1 . . . . . . . . 4350 1 300 . 1 1 89 89 THR H H 1 7.09 0.01 . 1 . . . . . . . . 4350 1 301 . 1 1 89 89 THR HA H 1 4.75 0.01 . 1 . . . . . . . . 4350 1 302 . 1 1 89 89 THR N N 15 107.6 0.1 . 1 . . . . . . . . 4350 1 303 . 1 1 90 90 ILE H H 1 8.94 0.01 . 1 . . . . . . . . 4350 1 304 . 1 1 90 90 ILE N N 15 120.9 0.1 . 1 . . . . . . . . 4350 1 305 . 1 1 92 92 GLN H H 1 7.21 0.01 . 1 . . . . . . . . 4350 1 306 . 1 1 92 92 GLN HA H 1 3.81 0.01 . 1 . . . . . . . . 4350 1 307 . 1 1 92 92 GLN N N 15 115.6 0.1 . 1 . . . . . . . . 4350 1 308 . 1 1 93 93 ALA H H 1 7.56 0.01 . 1 . . . . . . . . 4350 1 309 . 1 1 93 93 ALA HA H 1 3.93 0.01 . 1 . . . . . . . . 4350 1 310 . 1 1 93 93 ALA HB1 H 1 0.91 0.01 . 1 . . . . . . . . 4350 1 311 . 1 1 93 93 ALA HB2 H 1 0.91 0.01 . 1 . . . . . . . . 4350 1 312 . 1 1 93 93 ALA HB3 H 1 0.91 0.01 . 1 . . . . . . . . 4350 1 313 . 1 1 93 93 ALA N N 15 124.2 0.1 . 1 . . . . . . . . 4350 1 314 . 1 1 94 94 ASP H H 1 9.14 0.01 . 1 . . . . . . . . 4350 1 315 . 1 1 94 94 ASP HA H 1 4.56 0.01 . 1 . . . . . . . . 4350 1 316 . 1 1 94 94 ASP N N 15 121.0 0.1 . 1 . . . . . . . . 4350 1 317 . 1 1 95 95 ALA H H 1 7.97 0.01 . 1 . . . . . . . . 4350 1 318 . 1 1 95 95 ALA HA H 1 4.25 0.01 . 1 . . . . . . . . 4350 1 319 . 1 1 95 95 ALA HB1 H 1 1.63 0.01 . 1 . . . . . . . . 4350 1 320 . 1 1 95 95 ALA HB2 H 1 1.63 0.01 . 1 . . . . . . . . 4350 1 321 . 1 1 95 95 ALA HB3 H 1 1.63 0.01 . 1 . . . . . . . . 4350 1 322 . 1 1 95 95 ALA N N 15 122.4 0.1 . 1 . . . . . . . . 4350 1 323 . 1 1 96 96 MET H H 1 7.56 0.01 . 1 . . . . . . . . 4350 1 324 . 1 1 96 96 MET HA H 1 4.57 0.01 . 1 . . . . . . . . 4350 1 325 . 1 1 96 96 MET N N 15 117.2 0.1 . 1 . . . . . . . . 4350 1 326 . 1 1 97 97 LYS H H 1 7.67 0.01 . 1 . . . . . . . . 4350 1 327 . 1 1 97 97 LYS HA H 1 4.12 0.01 . 1 . . . . . . . . 4350 1 328 . 1 1 97 97 LYS HB2 H 1 2.06 0.01 . 1 . . . . . . . . 4350 1 329 . 1 1 97 97 LYS HB3 H 1 2.06 0.01 . 1 . . . . . . . . 4350 1 330 . 1 1 97 97 LYS N N 15 121.0 0.1 . 1 . . . . . . . . 4350 1 331 . 1 1 98 98 GLU H H 1 8.65 0.01 . 1 . . . . . . . . 4350 1 332 . 1 1 98 98 GLU HA H 1 4.04 0.01 . 1 . . . . . . . . 4350 1 333 . 1 1 98 98 GLU HB2 H 1 2.10 0.01 . 2 . . . . . . . . 4350 1 334 . 1 1 98 98 GLU HB3 H 1 2.12 0.01 . 2 . . . . . . . . 4350 1 335 . 1 1 98 98 GLU N N 15 121.1 0.1 . 1 . . . . . . . . 4350 1 336 . 1 1 99 99 ALA H H 1 7.35 0.01 . 1 . . . . . . . . 4350 1 337 . 1 1 99 99 ALA HA H 1 4.47 0.01 . 1 . . . . . . . . 4350 1 338 . 1 1 99 99 ALA HB1 H 1 1.55 0.01 . 1 . . . . . . . . 4350 1 339 . 1 1 99 99 ALA HB2 H 1 1.55 0.01 . 1 . . . . . . . . 4350 1 340 . 1 1 99 99 ALA HB3 H 1 1.55 0.01 . 1 . . . . . . . . 4350 1 341 . 1 1 99 99 ALA N N 15 118.5 0.1 . 1 . . . . . . . . 4350 1 342 . 1 1 100 100 GLY H H 1 7.91 0.01 . 1 . . . . . . . . 4350 1 343 . 1 1 100 100 GLY HA2 H 1 4.09 0.01 . 2 . . . . . . . . 4350 1 344 . 1 1 100 100 GLY HA3 H 1 3.87 0.01 . 2 . . . . . . . . 4350 1 345 . 1 1 100 100 GLY N N 15 108.0 0.1 . 1 . . . . . . . . 4350 1 346 . 1 1 101 101 ILE H H 1 8.08 0.01 . 1 . . . . . . . . 4350 1 347 . 1 1 101 101 ILE HA H 1 4.09 0.01 . 1 . . . . . . . . 4350 1 348 . 1 1 101 101 ILE N N 15 121.6 0.1 . 1 . . . . . . . . 4350 1 349 . 1 1 102 102 ASN H H 1 8.01 0.01 . 1 . . . . . . . . 4350 1 350 . 1 1 102 102 ASN HA H 1 4.88 0.01 . 1 . . . . . . . . 4350 1 351 . 1 1 102 102 ASN HB2 H 1 2.70 0.01 . 2 . . . . . . . . 4350 1 352 . 1 1 102 102 ASN HB3 H 1 2.83 0.01 . 2 . . . . . . . . 4350 1 353 . 1 1 102 102 ASN N N 15 125.3 0.1 . 1 . . . . . . . . 4350 1 354 . 1 1 103 103 VAL H H 1 8.78 0.01 . 1 . . . . . . . . 4350 1 355 . 1 1 103 103 VAL HA H 1 4.36 0.01 . 1 . . . . . . . . 4350 1 356 . 1 1 103 103 VAL N N 15 113.6 0.1 . 1 . . . . . . . . 4350 1 357 . 1 1 104 104 ASP H H 1 8.60 0.01 . 1 . . . . . . . . 4350 1 358 . 1 1 104 104 ASP HA H 1 4.57 0.01 . 1 . . . . . . . . 4350 1 359 . 1 1 104 104 ASP HB2 H 1 2.82 0.01 . 2 . . . . . . . . 4350 1 360 . 1 1 104 104 ASP HB3 H 1 2.57 0.01 . 2 . . . . . . . . 4350 1 361 . 1 1 104 104 ASP N N 15 123.7 0.1 . 1 . . . . . . . . 4350 1 362 . 1 1 105 105 TYR H H 1 7.58 0.01 . 1 . . . . . . . . 4350 1 363 . 1 1 105 105 TYR HA H 1 5.19 0.01 . 1 . . . . . . . . 4350 1 364 . 1 1 105 105 TYR HB2 H 1 2.61 0.01 . 2 . . . . . . . . 4350 1 365 . 1 1 105 105 TYR HB3 H 1 2.45 0.01 . 2 . . . . . . . . 4350 1 366 . 1 1 105 105 TYR HD1 H 1 6.69 0.01 . 1 . . . . . . . . 4350 1 367 . 1 1 105 105 TYR HD2 H 1 6.69 0.01 . 1 . . . . . . . . 4350 1 368 . 1 1 105 105 TYR N N 15 115.3 0.1 . 1 . . . . . . . . 4350 1 369 . 1 1 106 106 VAL H H 1 8.78 0.01 . 1 . . . . . . . . 4350 1 370 . 1 1 106 106 VAL HA H 1 4.36 0.01 . 1 . . . . . . . . 4350 1 371 . 1 1 106 106 VAL HB H 1 1.82 0.01 . 1 . . . . . . . . 4350 1 372 . 1 1 106 106 VAL HG11 H 1 0.56 0.01 . 2 . . . . . . . . 4350 1 373 . 1 1 106 106 VAL HG12 H 1 0.56 0.01 . 2 . . . . . . . . 4350 1 374 . 1 1 106 106 VAL HG13 H 1 0.56 0.01 . 2 . . . . . . . . 4350 1 375 . 1 1 106 106 VAL HG21 H 1 0.48 0.01 . 2 . . . . . . . . 4350 1 376 . 1 1 106 106 VAL HG22 H 1 0.48 0.01 . 2 . . . . . . . . 4350 1 377 . 1 1 106 106 VAL HG23 H 1 0.48 0.01 . 2 . . . . . . . . 4350 1 378 . 1 1 106 106 VAL N N 15 123.5 0.1 . 1 . . . . . . . . 4350 1 379 . 1 1 107 107 LEU H H 1 8.58 0.01 . 1 . . . . . . . . 4350 1 380 . 1 1 107 107 LEU HA H 1 5.08 0.01 . 1 . . . . . . . . 4350 1 381 . 1 1 107 107 LEU N N 15 125.5 0.1 . 1 . . . . . . . . 4350 1 382 . 1 1 108 108 GLU H H 1 8.68 0.01 . 1 . . . . . . . . 4350 1 383 . 1 1 108 108 GLU HA H 1 4.97 0.01 . 1 . . . . . . . . 4350 1 384 . 1 1 108 108 GLU N N 15 125.7 0.1 . 1 . . . . . . . . 4350 1 385 . 1 1 109 109 PHE H H 1 9.29 0.01 . 1 . . . . . . . . 4350 1 386 . 1 1 109 109 PHE HA H 1 4.60 0.01 . 2 . . . . . . . . 4350 1 387 . 1 1 109 109 PHE N N 15 128.8 0.1 . 1 . . . . . . . . 4350 1 388 . 1 1 110 110 ASP H H 1 8.88 0.01 . 1 . . . . . . . . 4350 1 389 . 1 1 110 110 ASP HA H 1 4.88 0.01 . 1 . . . . . . . . 4350 1 390 . 1 1 110 110 ASP HB2 H 1 3.00 0.01 . 2 . . . . . . . . 4350 1 391 . 1 1 110 110 ASP HB3 H 1 2.40 0.01 . 2 . . . . . . . . 4350 1 392 . 1 1 110 110 ASP N N 15 125.8 0.1 . 1 . . . . . . . . 4350 1 393 . 1 1 111 111 VAL H H 1 7.54 0.01 . 1 . . . . . . . . 4350 1 394 . 1 1 111 111 VAL HA H 1 4.43 0.01 . 1 . . . . . . . . 4350 1 395 . 1 1 111 111 VAL HB H 1 1.82 0.01 . 1 . . . . . . . . 4350 1 396 . 1 1 111 111 VAL HG11 H 1 0.78 0.01 . 2 . . . . . . . . 4350 1 397 . 1 1 111 111 VAL HG12 H 1 0.78 0.01 . 2 . . . . . . . . 4350 1 398 . 1 1 111 111 VAL HG13 H 1 0.78 0.01 . 2 . . . . . . . . 4350 1 399 . 1 1 111 111 VAL HG21 H 1 0.81 0.01 . 2 . . . . . . . . 4350 1 400 . 1 1 111 111 VAL HG22 H 1 0.81 0.01 . 2 . . . . . . . . 4350 1 401 . 1 1 111 111 VAL HG23 H 1 0.81 0.01 . 2 . . . . . . . . 4350 1 402 . 1 1 111 111 VAL N N 15 125.0 0.1 . 1 . . . . . . . . 4350 1 403 . 1 1 113 113 ASP H H 1 8.69 0.01 . 1 . . . . . . . . 4350 1 404 . 1 1 113 113 ASP N N 15 121.9 0.1 . 1 . . . . . . . . 4350 1 405 . 1 1 114 114 GLU H H 1 9.14 0.01 . 1 . . . . . . . . 4350 1 406 . 1 1 114 114 GLU HA H 1 4.01 0.01 . 1 . . . . . . . . 4350 1 407 . 1 1 114 114 GLU N N 15 115.4 0.1 . 1 . . . . . . . . 4350 1 408 . 1 1 115 115 LEU H H 1 7.23 0.01 . 1 . . . . . . . . 4350 1 409 . 1 1 115 115 LEU HA H 1 4.47 0.01 . 1 . . . . . . . . 4350 1 410 . 1 1 115 115 LEU N N 15 118.6 0.1 . 1 . . . . . . . . 4350 1 411 . 1 1 116 116 ILE H H 1 7.40 0.01 . 1 . . . . . . . . 4350 1 412 . 1 1 116 116 ILE HA H 1 3.35 0.01 . 1 . . . . . . . . 4350 1 413 . 1 1 116 116 ILE HB H 1 2.12 0.01 . 1 . . . . . . . . 4350 1 414 . 1 1 116 116 ILE N N 15 119.7 0.1 . 1 . . . . . . . . 4350 1 415 . 1 1 117 117 VAL H H 1 8.06 0.01 . 1 . . . . . . . . 4350 1 416 . 1 1 117 117 VAL HA H 1 3.46 0.01 . 1 . . . . . . . . 4350 1 417 . 1 1 117 117 VAL HB H 1 2.12 0.01 . 1 . . . . . . . . 4350 1 418 . 1 1 117 117 VAL HG11 H 1 0.95 0.01 . 2 . . . . . . . . 4350 1 419 . 1 1 117 117 VAL HG12 H 1 0.95 0.01 . 2 . . . . . . . . 4350 1 420 . 1 1 117 117 VAL HG13 H 1 0.95 0.01 . 2 . . . . . . . . 4350 1 421 . 1 1 117 117 VAL HG21 H 1 0.98 0.01 . 2 . . . . . . . . 4350 1 422 . 1 1 117 117 VAL HG22 H 1 0.98 0.01 . 2 . . . . . . . . 4350 1 423 . 1 1 117 117 VAL HG23 H 1 0.98 0.01 . 2 . . . . . . . . 4350 1 424 . 1 1 117 117 VAL N N 15 118.6 0.1 . 1 . . . . . . . . 4350 1 425 . 1 1 118 118 ASP H H 1 7.78 0.01 . 1 . . . . . . . . 4350 1 426 . 1 1 118 118 ASP HA H 1 4.56 0.01 . 1 . . . . . . . . 4350 1 427 . 1 1 118 118 ASP HB2 H 1 2.86 0.01 . 2 . . . . . . . . 4350 1 428 . 1 1 118 118 ASP HB3 H 1 2.78 0.01 . 2 . . . . . . . . 4350 1 429 . 1 1 118 118 ASP N N 15 117.0 0.1 . 1 . . . . . . . . 4350 1 430 . 1 1 119 119 ARG H H 1 8.08 0.01 . 1 . . . . . . . . 4350 1 431 . 1 1 119 119 ARG HA H 1 3.89 0.01 . 1 . . . . . . . . 4350 1 432 . 1 1 119 119 ARG N N 15 119.3 0.1 . 1 . . . . . . . . 4350 1 433 . 1 1 120 120 ILE H H 1 8.16 0.01 . 1 . . . . . . . . 4350 1 434 . 1 1 120 120 ILE HA H 1 3.90 0.01 . 1 . . . . . . . . 4350 1 435 . 1 1 120 120 ILE N N 15 117.1 0.1 . 1 . . . . . . . . 4350 1 436 . 1 1 121 121 VAL H H 1 8.49 0.01 . 1 . . . . . . . . 4350 1 437 . 1 1 121 121 VAL N N 15 116.2 0.1 . 1 . . . . . . . . 4350 1 438 . 1 1 122 122 GLY H H 1 7.23 0.01 . 1 . . . . . . . . 4350 1 439 . 1 1 122 122 GLY HA2 H 1 4.06 0.01 . 2 . . . . . . . . 4350 1 440 . 1 1 122 122 GLY HA3 H 1 2.91 0.01 . 2 . . . . . . . . 4350 1 441 . 1 1 122 122 GLY N N 15 105.2 0.1 . 1 . . . . . . . . 4350 1 442 . 1 1 123 123 ARG H H 1 7.70 0.01 . 1 . . . . . . . . 4350 1 443 . 1 1 123 123 ARG N N 15 122.5 0.1 . 1 . . . . . . . . 4350 1 444 . 1 1 124 124 ARG H H 1 8.48 0.01 . 1 . . . . . . . . 4350 1 445 . 1 1 124 124 ARG HA H 1 5.08 0.01 . 1 . . . . . . . . 4350 1 446 . 1 1 124 124 ARG N N 15 129.0 0.1 . 1 . . . . . . . . 4350 1 447 . 1 1 125 125 VAL H H 1 9.30 0.01 . 1 . . . . . . . . 4350 1 448 . 1 1 125 125 VAL HA H 1 5.51 0.01 . 1 . . . . . . . . 4350 1 449 . 1 1 125 125 VAL HB H 1 1.95 0.01 . 1 . . . . . . . . 4350 1 450 . 1 1 125 125 VAL HG11 H 1 0.82 0.01 . 2 . . . . . . . . 4350 1 451 . 1 1 125 125 VAL HG12 H 1 0.82 0.01 . 2 . . . . . . . . 4350 1 452 . 1 1 125 125 VAL HG13 H 1 0.82 0.01 . 2 . . . . . . . . 4350 1 453 . 1 1 125 125 VAL HG21 H 1 0.87 0.01 . 2 . . . . . . . . 4350 1 454 . 1 1 125 125 VAL HG22 H 1 0.87 0.01 . 2 . . . . . . . . 4350 1 455 . 1 1 125 125 VAL HG23 H 1 0.87 0.01 . 2 . . . . . . . . 4350 1 456 . 1 1 125 125 VAL N N 15 117.0 0.1 . 1 . . . . . . . . 4350 1 457 . 1 1 126 126 HIS H H 1 9.20 0.01 . 1 . . . . . . . . 4350 1 458 . 1 1 126 126 HIS HA H 1 5.02 0.01 . 1 . . . . . . . . 4350 1 459 . 1 1 126 126 HIS HB2 H 1 3.46 0.01 . 2 . . . . . . . . 4350 1 460 . 1 1 126 126 HIS HB3 H 1 2.82 0.01 . 2 . . . . . . . . 4350 1 461 . 1 1 126 126 HIS N N 15 126.2 0.1 . 1 . . . . . . . . 4350 1 462 . 1 1 127 127 ALA H H 1 8.98 0.01 . 1 . . . . . . . . 4350 1 463 . 1 1 127 127 ALA HA H 1 3.97 0.01 . 1 . . . . . . . . 4350 1 464 . 1 1 127 127 ALA HB1 H 1 1.33 0.01 . 1 . . . . . . . . 4350 1 465 . 1 1 127 127 ALA HB2 H 1 1.33 0.01 . 1 . . . . . . . . 4350 1 466 . 1 1 127 127 ALA HB3 H 1 1.33 0.01 . 1 . . . . . . . . 4350 1 467 . 1 1 127 127 ALA N N 15 129.7 0.1 . 1 . . . . . . . . 4350 1 468 . 1 1 129 129 SER H H 1 6.80 0.01 . 1 . . . . . . . . 4350 1 469 . 1 1 129 129 SER HA H 1 4.59 0.01 . 1 . . . . . . . . 4350 1 470 . 1 1 129 129 SER N N 15 108.0 0.1 . 1 . . . . . . . . 4350 1 471 . 1 1 130 130 GLY H H 1 8.55 0.01 . 1 . . . . . . . . 4350 1 472 . 1 1 130 130 GLY HA2 H 1 4.31 0.01 . 2 . . . . . . . . 4350 1 473 . 1 1 130 130 GLY HA3 H 1 3.54 0.01 . 2 . . . . . . . . 4350 1 474 . 1 1 130 130 GLY N N 15 113.2 0.1 . 1 . . . . . . . . 4350 1 475 . 1 1 131 131 ARG H H 1 8.45 0.01 . 1 . . . . . . . . 4350 1 476 . 1 1 131 131 ARG HA H 1 4.06 0.01 . 1 . . . . . . . . 4350 1 477 . 1 1 131 131 ARG N N 15 122.1 0.1 . 1 . . . . . . . . 4350 1 478 . 1 1 132 132 VAL H H 1 7.91 0.01 . 1 . . . . . . . . 4350 1 479 . 1 1 132 132 VAL HA H 1 4.82 0.01 . 1 . . . . . . . . 4350 1 480 . 1 1 132 132 VAL N N 15 120.3 0.1 . 1 . . . . . . . . 4350 1 481 . 1 1 133 133 TYR H H 1 9.30 0.01 . 1 . . . . . . . . 4350 1 482 . 1 1 133 133 TYR HA H 1 4.90 0.01 . 1 . . . . . . . . 4350 1 483 . 1 1 133 133 TYR HB2 H 1 3.21 0.01 . 2 . . . . . . . . 4350 1 484 . 1 1 133 133 TYR HB3 H 1 2.42 0.01 . 2 . . . . . . . . 4350 1 485 . 1 1 133 133 TYR HD1 H 1 6.92 0.01 . 1 . . . . . . . . 4350 1 486 . 1 1 133 133 TYR HD2 H 1 6.92 0.01 . 1 . . . . . . . . 4350 1 487 . 1 1 133 133 TYR N N 15 125.5 0.1 . 1 . . . . . . . . 4350 1 488 . 1 1 134 134 HIS H H 1 8.50 0.01 . 1 . . . . . . . . 4350 1 489 . 1 1 134 134 HIS HA H 1 5.18 0.01 . 1 . . . . . . . . 4350 1 490 . 1 1 134 134 HIS HB2 H 1 2.78 0.01 . 2 . . . . . . . . 4350 1 491 . 1 1 134 134 HIS HB3 H 1 2.81 0.01 . 2 . . . . . . . . 4350 1 492 . 1 1 134 134 HIS N N 15 122.4 0.1 . 1 . . . . . . . . 4350 1 493 . 1 1 135 135 VAL H H 1 8.00 0.01 . 1 . . . . . . . . 4350 1 494 . 1 1 135 135 VAL HA H 1 3.79 0.01 . 1 . . . . . . . . 4350 1 495 . 1 1 135 135 VAL N N 15 120.5 0.1 . 1 . . . . . . . . 4350 1 496 . 1 1 136 136 LYS H H 1 9.54 0.01 . 1 . . . . . . . . 4350 1 497 . 1 1 136 136 LYS HA H 1 4.59 0.01 . 1 . . . . . . . . 4350 1 498 . 1 1 136 136 LYS N N 15 120.1 0.1 . 1 . . . . . . . . 4350 1 499 . 1 1 137 137 PHE H H 1 9.11 0.01 . 1 . . . . . . . . 4350 1 500 . 1 1 137 137 PHE HA H 1 4.52 0.01 . 1 . . . . . . . . 4350 1 501 . 1 1 137 137 PHE N N 15 118.3 0.1 . 1 . . . . . . . . 4350 1 502 . 1 1 138 138 ASN H H 1 8.06 0.01 . 1 . . . . . . . . 4350 1 503 . 1 1 138 138 ASN HA H 1 5.13 0.01 . 1 . . . . . . . . 4350 1 504 . 1 1 138 138 ASN N N 15 113.5 0.1 . 1 . . . . . . . . 4350 1 505 . 1 1 141 141 LYS H H 1 10.12 0.01 . 1 . . . . . . . . 4350 1 506 . 1 1 141 141 LYS HA H 1 3.92 0.01 . 1 . . . . . . . . 4350 1 507 . 1 1 141 141 LYS N N 15 124.1 0.1 . 1 . . . . . . . . 4350 1 508 . 1 1 142 142 VAL H H 1 8.83 0.01 . 1 . . . . . . . . 4350 1 509 . 1 1 142 142 VAL HA H 1 3.93 0.01 . 1 . . . . . . . . 4350 1 510 . 1 1 142 142 VAL HB H 1 1.70 0.01 . 1 . . . . . . . . 4350 1 511 . 1 1 142 142 VAL HG11 H 1 0.86 0.01 . 2 . . . . . . . . 4350 1 512 . 1 1 142 142 VAL HG12 H 1 0.86 0.01 . 2 . . . . . . . . 4350 1 513 . 1 1 142 142 VAL HG13 H 1 0.86 0.01 . 2 . . . . . . . . 4350 1 514 . 1 1 142 142 VAL HG21 H 1 0.80 0.01 . 2 . . . . . . . . 4350 1 515 . 1 1 142 142 VAL HG22 H 1 0.80 0.01 . 2 . . . . . . . . 4350 1 516 . 1 1 142 142 VAL HG23 H 1 0.80 0.01 . 2 . . . . . . . . 4350 1 517 . 1 1 142 142 VAL N N 15 120.8 0.1 . 1 . . . . . . . . 4350 1 518 . 1 1 143 143 GLU H H 1 8.13 0.01 . 1 . . . . . . . . 4350 1 519 . 1 1 143 143 GLU N N 15 125.7 0.1 . 1 . . . . . . . . 4350 1 520 . 1 1 144 144 GLY H H 1 8.73 0.01 . 1 . . . . . . . . 4350 1 521 . 1 1 144 144 GLY HA2 H 1 4.12 0.01 . 2 . . . . . . . . 4350 1 522 . 1 1 144 144 GLY HA3 H 1 3.52 0.01 . 2 . . . . . . . . 4350 1 523 . 1 1 144 144 GLY N N 15 111.6 0.1 . 1 . . . . . . . . 4350 1 524 . 1 1 145 145 LYS H H 1 8.00 0.01 . 1 . . . . . . . . 4350 1 525 . 1 1 145 145 LYS HA H 1 4.92 0.01 . 1 . . . . . . . . 4350 1 526 . 1 1 145 145 LYS N N 15 119.7 0.1 . 1 . . . . . . . . 4350 1 527 . 1 1 146 146 ASP H H 1 9.05 0.01 . 1 . . . . . . . . 4350 1 528 . 1 1 146 146 ASP HA H 1 4.06 0.01 . 1 . . . . . . . . 4350 1 529 . 1 1 146 146 ASP N N 15 120.1 0.1 . 1 . . . . . . . . 4350 1 530 . 1 1 147 147 ASP H H 1 7.94 0.01 . 1 . . . . . . . . 4350 1 531 . 1 1 147 147 ASP HA H 1 4.31 0.01 . 1 . . . . . . . . 4350 1 532 . 1 1 147 147 ASP N N 15 127.2 0.1 . 1 . . . . . . . . 4350 1 533 . 1 1 148 148 VAL H H 1 6.39 0.01 . 1 . . . . . . . . 4350 1 534 . 1 1 148 148 VAL HA H 1 3.80 0.01 . 1 . . . . . . . . 4350 1 535 . 1 1 148 148 VAL HB H 1 2.07 0.01 . 1 . . . . . . . . 4350 1 536 . 1 1 148 148 VAL HG11 H 1 0.92 0.01 . 2 . . . . . . . . 4350 1 537 . 1 1 148 148 VAL HG12 H 1 0.92 0.01 . 2 . . . . . . . . 4350 1 538 . 1 1 148 148 VAL HG13 H 1 0.92 0.01 . 2 . . . . . . . . 4350 1 539 . 1 1 148 148 VAL HG21 H 1 0.94 0.01 . 2 . . . . . . . . 4350 1 540 . 1 1 148 148 VAL HG22 H 1 0.94 0.01 . 2 . . . . . . . . 4350 1 541 . 1 1 148 148 VAL HG23 H 1 0.94 0.01 . 2 . . . . . . . . 4350 1 542 . 1 1 148 148 VAL N N 15 115.4 0.1 . 1 . . . . . . . . 4350 1 543 . 1 1 149 149 THR H H 1 7.56 0.01 . 1 . . . . . . . . 4350 1 544 . 1 1 149 149 THR HA H 1 4.42 0.01 . 1 . . . . . . . . 4350 1 545 . 1 1 149 149 THR N N 15 105.6 0.1 . 1 . . . . . . . . 4350 1 546 . 1 1 150 150 GLY H H 1 7.87 0.01 . 1 . . . . . . . . 4350 1 547 . 1 1 150 150 GLY HA2 H 1 4.20 0.01 . 2 . . . . . . . . 4350 1 548 . 1 1 150 150 GLY HA3 H 1 3.73 0.01 . 2 . . . . . . . . 4350 1 549 . 1 1 150 150 GLY N N 15 111.3 0.1 . 1 . . . . . . . . 4350 1 550 . 1 1 151 151 GLU H H 1 7.68 0.01 . 1 . . . . . . . . 4350 1 551 . 1 1 151 151 GLU HA H 1 4.25 0.01 . 1 . . . . . . . . 4350 1 552 . 1 1 151 151 GLU HB2 H 1 2.04 0.01 . 2 . . . . . . . . 4350 1 553 . 1 1 151 151 GLU N N 15 118.9 0.1 . 1 . . . . . . . . 4350 1 554 . 1 1 152 152 GLU H H 1 8.69 0.01 . 1 . . . . . . . . 4350 1 555 . 1 1 152 152 GLU HA H 1 4.42 0.01 . 1 . . . . . . . . 4350 1 556 . 1 1 152 152 GLU HB2 H 1 2.05 0.01 . 2 . . . . . . . . 4350 1 557 . 1 1 152 152 GLU HB3 H 1 2.09 0.01 . 2 . . . . . . . . 4350 1 558 . 1 1 152 152 GLU N N 15 120.0 0.1 . 1 . . . . . . . . 4350 1 559 . 1 1 153 153 LEU H H 1 7.94 0.01 . 1 . . . . . . . . 4350 1 560 . 1 1 153 153 LEU HA H 1 4.80 0.01 . 1 . . . . . . . . 4350 1 561 . 1 1 153 153 LEU HB2 H 1 1.52 0.01 . 1 . . . . . . . . 4350 1 562 . 1 1 153 153 LEU HB3 H 1 1.52 0.01 . 1 . . . . . . . . 4350 1 563 . 1 1 153 153 LEU N N 15 121.2 0.1 . 1 . . . . . . . . 4350 1 564 . 1 1 154 154 THR H H 1 9.35 0.01 . 1 . . . . . . . . 4350 1 565 . 1 1 154 154 THR HA H 1 4.86 0.01 . 1 . . . . . . . . 4350 1 566 . 1 1 154 154 THR HB H 1 4.28 0.01 . 1 . . . . . . . . 4350 1 567 . 1 1 154 154 THR HG21 H 1 1.25 0.01 . 1 . . . . . . . . 4350 1 568 . 1 1 154 154 THR HG22 H 1 1.25 0.01 . 1 . . . . . . . . 4350 1 569 . 1 1 154 154 THR HG23 H 1 1.25 0.01 . 1 . . . . . . . . 4350 1 570 . 1 1 154 154 THR N N 15 114.1 0.1 . 1 . . . . . . . . 4350 1 571 . 1 1 155 155 THR H H 1 8.30 0.01 . 1 . . . . . . . . 4350 1 572 . 1 1 155 155 THR HA H 1 4.82 0.01 . 1 . . . . . . . . 4350 1 573 . 1 1 155 155 THR N N 15 114.0 0.1 . 1 . . . . . . . . 4350 1 574 . 1 1 158 158 ASP H H 1 8.78 0.01 . 1 . . . . . . . . 4350 1 575 . 1 1 158 158 ASP HA H 1 4.60 0.01 . 1 . . . . . . . . 4350 1 576 . 1 1 158 158 ASP N N 15 113.1 0.1 . 1 . . . . . . . . 4350 1 577 . 1 1 159 159 ASP H H 1 7.35 0.01 . 1 . . . . . . . . 4350 1 578 . 1 1 159 159 ASP N N 15 122.2 0.1 . 1 . . . . . . . . 4350 1 579 . 1 1 160 160 GLN H H 1 7.09 0.01 . 1 . . . . . . . . 4350 1 580 . 1 1 160 160 GLN HA H 1 4.42 0.01 . 1 . . . . . . . . 4350 1 581 . 1 1 160 160 GLN HB2 H 1 2.12 0.01 . 2 . . . . . . . . 4350 1 582 . 1 1 160 160 GLN HB3 H 1 2.37 0.01 . 2 . . . . . . . . 4350 1 583 . 1 1 160 160 GLN N N 15 117.9 0.1 . 1 . . . . . . . . 4350 1 584 . 1 1 161 161 GLU H H 1 9.22 0.01 . 1 . . . . . . . . 4350 1 585 . 1 1 161 161 GLU N N 15 125.0 0.1 . 1 . . . . . . . . 4350 1 586 . 1 1 162 162 GLU H H 1 9.16 0.01 . 1 . . . . . . . . 4350 1 587 . 1 1 162 162 GLU HA H 1 4.08 0.01 . 1 . . . . . . . . 4350 1 588 . 1 1 162 162 GLU HB2 H 1 2.07 0.01 . 1 . . . . . . . . 4350 1 589 . 1 1 162 162 GLU HB3 H 1 2.07 0.01 . 1 . . . . . . . . 4350 1 590 . 1 1 162 162 GLU HG2 H 1 2.36 0.01 . 1 . . . . . . . . 4350 1 591 . 1 1 162 162 GLU HG3 H 1 2.36 0.01 . 1 . . . . . . . . 4350 1 592 . 1 1 162 162 GLU N N 15 116.7 0.1 . 1 . . . . . . . . 4350 1 593 . 1 1 163 163 THR H H 1 7.35 0.01 . 1 . . . . . . . . 4350 1 594 . 1 1 163 163 THR HA H 1 4.04 0.01 . 1 . . . . . . . . 4350 1 595 . 1 1 163 163 THR HB H 1 4.31 0.01 . 1 . . . . . . . . 4350 1 596 . 1 1 163 163 THR HG21 H 1 1.30 0.01 . 1 . . . . . . . . 4350 1 597 . 1 1 163 163 THR HG22 H 1 1.30 0.01 . 1 . . . . . . . . 4350 1 598 . 1 1 163 163 THR HG23 H 1 1.30 0.01 . 1 . . . . . . . . 4350 1 599 . 1 1 163 163 THR N N 15 116.0 0.1 . 1 . . . . . . . . 4350 1 600 . 1 1 164 164 VAL H H 1 8.58 0.01 . 1 . . . . . . . . 4350 1 601 . 1 1 164 164 VAL HA H 1 3.54 0.01 . 1 . . . . . . . . 4350 1 602 . 1 1 164 164 VAL HB H 1 2.26 0.01 . 1 . . . . . . . . 4350 1 603 . 1 1 164 164 VAL HG11 H 1 1.05 0.01 . 2 . . . . . . . . 4350 1 604 . 1 1 164 164 VAL HG12 H 1 1.05 0.01 . 2 . . . . . . . . 4350 1 605 . 1 1 164 164 VAL HG13 H 1 1.05 0.01 . 2 . . . . . . . . 4350 1 606 . 1 1 164 164 VAL HG21 H 1 0.97 0.01 . 2 . . . . . . . . 4350 1 607 . 1 1 164 164 VAL HG22 H 1 0.97 0.01 . 2 . . . . . . . . 4350 1 608 . 1 1 164 164 VAL HG23 H 1 0.97 0.01 . 2 . . . . . . . . 4350 1 609 . 1 1 164 164 VAL N N 15 124.0 0.1 . 1 . . . . . . . . 4350 1 610 . 1 1 165 165 ARG H H 1 8.17 0.01 . 1 . . . . . . . . 4350 1 611 . 1 1 165 165 ARG N N 15 118.0 0.1 . 1 . . . . . . . . 4350 1 612 . 1 1 166 166 LYS H H 1 7.48 0.01 . 1 . . . . . . . . 4350 1 613 . 1 1 166 166 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 4350 1 614 . 1 1 166 166 LYS N N 15 119.6 0.1 . 1 . . . . . . . . 4350 1 615 . 1 1 167 167 ARG H H 1 8.53 0.01 . 1 . . . . . . . . 4350 1 616 . 1 1 167 167 ARG N N 15 120.0 0.1 . 1 . . . . . . . . 4350 1 617 . 1 1 168 168 LEU H H 1 8.60 0.01 . 1 . . . . . . . . 4350 1 618 . 1 1 168 168 LEU HA H 1 4.20 0.01 . 1 . . . . . . . . 4350 1 619 . 1 1 168 168 LEU N N 15 123.2 0.1 . 1 . . . . . . . . 4350 1 620 . 1 1 169 169 VAL H H 1 7.88 0.01 . 1 . . . . . . . . 4350 1 621 . 1 1 169 169 VAL HA H 1 3.95 0.01 . 1 . . . . . . . . 4350 1 622 . 1 1 169 169 VAL HB H 1 2.37 0.01 . 1 . . . . . . . . 4350 1 623 . 1 1 169 169 VAL HG11 H 1 1.25 0.01 . 2 . . . . . . . . 4350 1 624 . 1 1 169 169 VAL HG12 H 1 1.25 0.01 . 2 . . . . . . . . 4350 1 625 . 1 1 169 169 VAL HG13 H 1 1.25 0.01 . 2 . . . . . . . . 4350 1 626 . 1 1 169 169 VAL HG21 H 1 1.08 0.01 . 2 . . . . . . . . 4350 1 627 . 1 1 169 169 VAL HG22 H 1 1.08 0.01 . 2 . . . . . . . . 4350 1 628 . 1 1 169 169 VAL HG23 H 1 1.08 0.01 . 2 . . . . . . . . 4350 1 629 . 1 1 169 169 VAL N N 15 121.7 0.1 . 1 . . . . . . . . 4350 1 630 . 1 1 170 170 GLU H H 1 8.02 0.01 . 1 . . . . . . . . 4350 1 631 . 1 1 170 170 GLU N N 15 119.5 0.1 . 1 . . . . . . . . 4350 1 632 . 1 1 171 171 TYR H H 1 8.30 0.01 . 1 . . . . . . . . 4350 1 633 . 1 1 171 171 TYR HA H 1 4.20 0.01 . 1 . . . . . . . . 4350 1 634 . 1 1 171 171 TYR HB2 H 1 3.35 0.01 . 2 . . . . . . . . 4350 1 635 . 1 1 171 171 TYR HB3 H 1 3.11 0.01 . 2 . . . . . . . . 4350 1 636 . 1 1 171 171 TYR N N 15 120.0 0.1 . 1 . . . . . . . . 4350 1 637 . 1 1 172 172 HIS H H 1 8.56 0.01 . 1 . . . . . . . . 4350 1 638 . 1 1 172 172 HIS HA H 1 4.09 0.01 . 1 . . . . . . . . 4350 1 639 . 1 1 172 172 HIS HB2 H 1 3.27 0.01 . 2 . . . . . . . . 4350 1 640 . 1 1 172 172 HIS HB3 H 1 3.38 0.01 . 2 . . . . . . . . 4350 1 641 . 1 1 172 172 HIS HD2 H 1 7.45 0.01 . 1 . . . . . . . . 4350 1 642 . 1 1 172 172 HIS N N 15 119.7 0.1 . 1 . . . . . . . . 4350 1 643 . 1 1 173 173 GLN H H 1 8.10 0.01 . 1 . . . . . . . . 4350 1 644 . 1 1 173 173 GLN HA H 1 4.28 0.01 . 1 . . . . . . . . 4350 1 645 . 1 1 173 173 GLN HB2 H 1 2.12 0.01 . 2 . . . . . . . . 4350 1 646 . 1 1 173 173 GLN HB3 H 1 2.23 0.01 . 2 . . . . . . . . 4350 1 647 . 1 1 173 173 GLN HG2 H 1 2.50 0.01 . 2 . . . . . . . . 4350 1 648 . 1 1 173 173 GLN HG3 H 1 2.59 0.01 . 2 . . . . . . . . 4350 1 649 . 1 1 173 173 GLN N N 15 115.8 0.1 . 1 . . . . . . . . 4350 1 650 . 1 1 174 174 MET H H 1 8.60 0.01 . 1 . . . . . . . . 4350 1 651 . 1 1 174 174 MET N N 15 113.2 0.1 . 1 . . . . . . . . 4350 1 652 . 1 1 175 175 THR H H 1 7.87 0.01 . 1 . . . . . . . . 4350 1 653 . 1 1 175 175 THR HA H 1 4.42 0.01 . 1 . . . . . . . . 4350 1 654 . 1 1 175 175 THR N N 15 117.2 0.1 . 1 . . . . . . . . 4350 1 655 . 1 1 176 176 ALA H H 1 7.89 0.01 . 1 . . . . . . . . 4350 1 656 . 1 1 176 176 ALA HA H 1 4.13 0.01 . 1 . . . . . . . . 4350 1 657 . 1 1 176 176 ALA HB1 H 1 1.41 0.01 . 1 . . . . . . . . 4350 1 658 . 1 1 176 176 ALA HB2 H 1 1.41 0.01 . 1 . . . . . . . . 4350 1 659 . 1 1 176 176 ALA HB3 H 1 1.41 0.01 . 1 . . . . . . . . 4350 1 660 . 1 1 176 176 ALA N N 15 125.8 0.1 . 1 . . . . . . . . 4350 1 661 . 1 1 178 178 LEU H H 1 8.66 0.01 . 1 . . . . . . . . 4350 1 662 . 1 1 178 178 LEU N N 15 117.7 0.1 . 1 . . . . . . . . 4350 1 663 . 1 1 179 179 ILE H H 1 8.15 0.01 . 1 . . . . . . . . 4350 1 664 . 1 1 179 179 ILE HA H 1 4.06 0.01 . 1 . . . . . . . . 4350 1 665 . 1 1 179 179 ILE N N 15 123.1 0.1 . 1 . . . . . . . . 4350 1 666 . 1 1 180 180 GLY H H 1 7.73 0.01 . 1 . . . . . . . . 4350 1 667 . 1 1 180 180 GLY HA2 H 1 3.79 0.01 . 2 . . . . . . . . 4350 1 668 . 1 1 180 180 GLY N N 15 109.6 0.1 . 1 . . . . . . . . 4350 1 669 . 1 1 181 181 TYR H H 1 7.64 0.01 . 1 . . . . . . . . 4350 1 670 . 1 1 181 181 TYR HB2 H 1 3.08 0.01 . 2 . . . . . . . . 4350 1 671 . 1 1 181 181 TYR HD1 H 1 6.08 0.01 . 1 . . . . . . . . 4350 1 672 . 1 1 181 181 TYR HD2 H 1 6.08 0.01 . 1 . . . . . . . . 4350 1 673 . 1 1 181 181 TYR HE1 H 1 6.48 0.01 . 1 . . . . . . . . 4350 1 674 . 1 1 181 181 TYR HE2 H 1 6.48 0.01 . 1 . . . . . . . . 4350 1 675 . 1 1 181 181 TYR N N 15 123.2 0.1 . 1 . . . . . . . . 4350 1 676 . 1 1 182 182 TYR H H 1 9.05 0.01 . 1 . . . . . . . . 4350 1 677 . 1 1 182 182 TYR HA H 1 4.42 0.01 . 1 . . . . . . . . 4350 1 678 . 1 1 182 182 TYR HB2 H 1 3.13 0.01 . 2 . . . . . . . . 4350 1 679 . 1 1 182 182 TYR HB3 H 1 3.30 0.01 . 2 . . . . . . . . 4350 1 680 . 1 1 182 182 TYR HD1 H 1 7.20 0.01 . 1 . . . . . . . . 4350 1 681 . 1 1 182 182 TYR HD2 H 1 7.20 0.01 . 1 . . . . . . . . 4350 1 682 . 1 1 182 182 TYR HE1 H 1 6.76 0.01 . 1 . . . . . . . . 4350 1 683 . 1 1 182 182 TYR HE2 H 1 6.76 0.01 . 1 . . . . . . . . 4350 1 684 . 1 1 182 182 TYR N N 15 117.0 0.1 . 1 . . . . . . . . 4350 1 685 . 1 1 183 183 SER H H 1 8.35 0.01 . 1 . . . . . . . . 4350 1 686 . 1 1 183 183 SER HA H 1 3.84 0.01 . 1 . . . . . . . . 4350 1 687 . 1 1 183 183 SER HB2 H 1 3.54 0.01 . 1 . . . . . . . . 4350 1 688 . 1 1 183 183 SER N N 15 119.7 0.1 . 1 . . . . . . . . 4350 1 689 . 1 1 184 184 LYS H H 1 7.71 0.01 . 1 . . . . . . . . 4350 1 690 . 1 1 184 184 LYS HA H 1 4.09 0.01 . 1 . . . . . . . . 4350 1 691 . 1 1 184 184 LYS HB2 H 1 1.84 0.01 . 1 . . . . . . . . 4350 1 692 . 1 1 184 184 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 4350 1 693 . 1 1 184 184 LYS N N 15 123.4 0.1 . 1 . . . . . . . . 4350 1 694 . 1 1 185 185 GLU H H 1 7.48 0.01 . 1 . . . . . . . . 4350 1 695 . 1 1 185 185 GLU HA H 1 4.09 0.01 . 1 . . . . . . . . 4350 1 696 . 1 1 185 185 GLU HB2 H 1 2.08 0.01 . 2 . . . . . . . . 4350 1 697 . 1 1 185 185 GLU HB3 H 1 2.18 0.01 . 2 . . . . . . . . 4350 1 698 . 1 1 185 185 GLU N N 15 119.8 0.1 . 1 . . . . . . . . 4350 1 699 . 1 1 186 186 ALA H H 1 8.33 0.01 . 1 . . . . . . . . 4350 1 700 . 1 1 186 186 ALA HA H 1 4.64 0.01 . 1 . . . . . . . . 4350 1 701 . 1 1 186 186 ALA HB1 H 1 1.66 0.01 . 1 . . . . . . . . 4350 1 702 . 1 1 186 186 ALA HB2 H 1 1.66 0.01 . 1 . . . . . . . . 4350 1 703 . 1 1 186 186 ALA HB3 H 1 1.66 0.01 . 1 . . . . . . . . 4350 1 704 . 1 1 186 186 ALA N N 15 122.9 0.1 . 1 . . . . . . . . 4350 1 705 . 1 1 187 187 GLU H H 1 8.14 0.01 . 1 . . . . . . . . 4350 1 706 . 1 1 187 187 GLU HA H 1 4.09 0.01 . 1 . . . . . . . . 4350 1 707 . 1 1 187 187 GLU HB2 H 1 2.28 0.01 . 2 . . . . . . . . 4350 1 708 . 1 1 187 187 GLU HB3 H 1 2.18 0.01 . 2 . . . . . . . . 4350 1 709 . 1 1 187 187 GLU HG2 H 1 2.48 0.01 . 1 . . . . . . . . 4350 1 710 . 1 1 187 187 GLU HG3 H 1 2.48 0.01 . 1 . . . . . . . . 4350 1 711 . 1 1 187 187 GLU N N 15 122.7 0.1 . 1 . . . . . . . . 4350 1 712 . 1 1 188 188 ALA H H 1 7.50 0.01 . 1 . . . . . . . . 4350 1 713 . 1 1 188 188 ALA HA H 1 4.34 0.01 . 1 . . . . . . . . 4350 1 714 . 1 1 188 188 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 4350 1 715 . 1 1 188 188 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 4350 1 716 . 1 1 188 188 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 4350 1 717 . 1 1 188 188 ALA N N 15 118.9 0.1 . 1 . . . . . . . . 4350 1 718 . 1 1 189 189 GLY H H 1 7.90 0.01 . 1 . . . . . . . . 4350 1 719 . 1 1 189 189 GLY HA2 H 1 4.28 0.01 . 2 . . . . . . . . 4350 1 720 . 1 1 189 189 GLY HA3 H 1 3.90 0.01 . 2 . . . . . . . . 4350 1 721 . 1 1 189 189 GLY N N 15 105.4 0.1 . 1 . . . . . . . . 4350 1 722 . 1 1 190 190 ASN H H 1 8.20 0.01 . 1 . . . . . . . . 4350 1 723 . 1 1 190 190 ASN HA H 1 4.76 0.01 . 1 . . . . . . . . 4350 1 724 . 1 1 190 190 ASN HB2 H 1 3.00 0.01 . 1 . . . . . . . . 4350 1 725 . 1 1 190 190 ASN HB3 H 1 2.70 0.01 . 1 . . . . . . . . 4350 1 726 . 1 1 190 190 ASN N N 15 117.1 0.1 . 1 . . . . . . . . 4350 1 727 . 1 1 191 191 THR H H 1 7.53 0.01 . 1 . . . . . . . . 4350 1 728 . 1 1 191 191 THR HA H 1 4.36 0.01 . 1 . . . . . . . . 4350 1 729 . 1 1 191 191 THR N N 15 113.0 0.1 . 1 . . . . . . . . 4350 1 730 . 1 1 192 192 LYS H H 1 7.87 0.01 . 1 . . . . . . . . 4350 1 731 . 1 1 192 192 LYS N N 15 123.4 0.1 . 1 . . . . . . . . 4350 1 732 . 1 1 193 193 TYR H H 1 8.62 0.01 . 1 . . . . . . . . 4350 1 733 . 1 1 193 193 TYR HA H 1 5.46 0.01 . 1 . . . . . . . . 4350 1 734 . 1 1 193 193 TYR HB2 H 1 3.02 0.01 . 2 . . . . . . . . 4350 1 735 . 1 1 193 193 TYR HB3 H 1 2.51 0.01 . 2 . . . . . . . . 4350 1 736 . 1 1 193 193 TYR HD1 H 1 6.69 0.01 . 1 . . . . . . . . 4350 1 737 . 1 1 193 193 TYR HD2 H 1 6.69 0.01 . 1 . . . . . . . . 4350 1 738 . 1 1 193 193 TYR N N 15 125.7 0.1 . 1 . . . . . . . . 4350 1 739 . 1 1 194 194 ALA H H 1 8.57 0.01 . 1 . . . . . . . . 4350 1 740 . 1 1 194 194 ALA HA H 1 4.32 0.01 . 1 . . . . . . . . 4350 1 741 . 1 1 194 194 ALA HB1 H 1 1.32 0.01 . 1 . . . . . . . . 4350 1 742 . 1 1 194 194 ALA HB2 H 1 1.32 0.01 . 1 . . . . . . . . 4350 1 743 . 1 1 194 194 ALA HB3 H 1 1.32 0.01 . 1 . . . . . . . . 4350 1 744 . 1 1 194 194 ALA N N 15 131.5 0.1 . 1 . . . . . . . . 4350 1 745 . 1 1 196 196 VAL H H 1 9.63 0.01 . 1 . . . . . . . . 4350 1 746 . 1 1 196 196 VAL HA H 1 4.25 0.01 . 1 . . . . . . . . 4350 1 747 . 1 1 196 196 VAL HB H 1 2.36 0.01 . 1 . . . . . . . . 4350 1 748 . 1 1 196 196 VAL HG11 H 1 0.59 0.01 . 1 . . . . . . . . 4350 1 749 . 1 1 196 196 VAL HG12 H 1 0.59 0.01 . 1 . . . . . . . . 4350 1 750 . 1 1 196 196 VAL HG13 H 1 0.59 0.01 . 1 . . . . . . . . 4350 1 751 . 1 1 196 196 VAL HG21 H 1 0.59 0.01 . 1 . . . . . . . . 4350 1 752 . 1 1 196 196 VAL HG22 H 1 0.59 0.01 . 1 . . . . . . . . 4350 1 753 . 1 1 196 196 VAL HG23 H 1 0.59 0.01 . 1 . . . . . . . . 4350 1 754 . 1 1 196 196 VAL N N 15 131.5 0.1 . 1 . . . . . . . . 4350 1 755 . 1 1 197 197 ASP H H 1 8.76 0.01 . 1 . . . . . . . . 4350 1 756 . 1 1 197 197 ASP N N 15 124.4 0.1 . 1 . . . . . . . . 4350 1 757 . 1 1 198 198 GLY H H 1 8.47 0.01 . 1 . . . . . . . . 4350 1 758 . 1 1 198 198 GLY N N 15 112.2 0.1 . 1 . . . . . . . . 4350 1 759 . 1 1 199 199 THR H H 1 8.84 0.01 . 1 . . . . . . . . 4350 1 760 . 1 1 199 199 THR HA H 1 3.87 0.01 . 1 . . . . . . . . 4350 1 761 . 1 1 199 199 THR N N 15 112.2 0.1 . 1 . . . . . . . . 4350 1 762 . 1 1 200 200 LYS H H 1 6.44 0.01 . 1 . . . . . . . . 4350 1 763 . 1 1 200 200 LYS HA H 1 4.42 0.01 . 1 . . . . . . . . 4350 1 764 . 1 1 200 200 LYS HB2 H 1 1.64 0.01 . 2 . . . . . . . . 4350 1 765 . 1 1 200 200 LYS N N 15 122.7 0.1 . 1 . . . . . . . . 4350 1 766 . 1 1 202 202 VAL H H 1 8.23 0.01 . 1 . . . . . . . . 4350 1 767 . 1 1 202 202 VAL N N 15 122.9 0.1 . 1 . . . . . . . . 4350 1 768 . 1 1 203 203 ALA H H 1 8.85 0.01 . 1 . . . . . . . . 4350 1 769 . 1 1 203 203 ALA HA H 1 3.90 0.01 . 1 . . . . . . . . 4350 1 770 . 1 1 203 203 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 4350 1 771 . 1 1 203 203 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 4350 1 772 . 1 1 203 203 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 4350 1 773 . 1 1 203 203 ALA N N 15 118.6 0.1 . 1 . . . . . . . . 4350 1 774 . 1 1 204 204 GLU H H 1 7.43 0.01 . 1 . . . . . . . . 4350 1 775 . 1 1 204 204 GLU HA H 1 4.17 0.01 . 1 . . . . . . . . 4350 1 776 . 1 1 204 204 GLU N N 15 118.5 0.1 . 1 . . . . . . . . 4350 1 777 . 1 1 205 205 VAL H H 1 8.00 0.01 . 1 . . . . . . . . 4350 1 778 . 1 1 205 205 VAL HA H 1 3.73 0.01 . 1 . . . . . . . . 4350 1 779 . 1 1 205 205 VAL HB H 1 2.09 0.01 . 1 . . . . . . . . 4350 1 780 . 1 1 205 205 VAL HG11 H 1 1.03 0.01 . 2 . . . . . . . . 4350 1 781 . 1 1 205 205 VAL HG12 H 1 1.03 0.01 . 2 . . . . . . . . 4350 1 782 . 1 1 205 205 VAL HG13 H 1 1.03 0.01 . 2 . . . . . . . . 4350 1 783 . 1 1 205 205 VAL HG21 H 1 0.84 0.01 . 2 . . . . . . . . 4350 1 784 . 1 1 205 205 VAL HG22 H 1 0.84 0.01 . 2 . . . . . . . . 4350 1 785 . 1 1 205 205 VAL HG23 H 1 0.84 0.01 . 2 . . . . . . . . 4350 1 786 . 1 1 205 205 VAL N N 15 121.9 0.1 . 1 . . . . . . . . 4350 1 787 . 1 1 206 206 ARG H H 1 7.78 0.01 . 1 . . . . . . . . 4350 1 788 . 1 1 206 206 ARG N N 15 118.8 0.1 . 1 . . . . . . . . 4350 1 789 . 1 1 207 207 ALA H H 1 7.26 0.01 . 1 . . . . . . . . 4350 1 790 . 1 1 207 207 ALA HA H 1 4.15 0.01 . 1 . . . . . . . . 4350 1 791 . 1 1 207 207 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . 4350 1 792 . 1 1 207 207 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . 4350 1 793 . 1 1 207 207 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . 4350 1 794 . 1 1 207 207 ALA N N 15 120.5 0.1 . 1 . . . . . . . . 4350 1 795 . 1 1 208 208 ASP H H 1 8.08 0.01 . 1 . . . . . . . . 4350 1 796 . 1 1 208 208 ASP HA H 1 4.42 0.01 . 1 . . . . . . . . 4350 1 797 . 1 1 208 208 ASP HB2 H 1 3.00 0.01 . 2 . . . . . . . . 4350 1 798 . 1 1 208 208 ASP HB3 H 1 2.50 0.01 . 2 . . . . . . . . 4350 1 799 . 1 1 208 208 ASP N N 15 121.3 0.1 . 1 . . . . . . . . 4350 1 800 . 1 1 209 209 LEU H H 1 8.38 0.01 . 1 . . . . . . . . 4350 1 801 . 1 1 209 209 LEU HA H 1 3.93 0.01 . 1 . . . . . . . . 4350 1 802 . 1 1 209 209 LEU HB2 H 1 2.26 0.01 . 2 . . . . . . . . 4350 1 803 . 1 1 209 209 LEU N N 15 121.1 0.1 . 1 . . . . . . . . 4350 1 804 . 1 1 210 210 GLU H H 1 8.31 0.01 . 1 . . . . . . . . 4350 1 805 . 1 1 210 210 GLU HA H 1 4.23 0.01 . 1 . . . . . . . . 4350 1 806 . 1 1 210 210 GLU HB2 H 1 2.23 0.01 . 2 . . . . . . . . 4350 1 807 . 1 1 210 210 GLU HB3 H 1 2.05 0.01 . 2 . . . . . . . . 4350 1 808 . 1 1 210 210 GLU N N 15 119.5 0.1 . 1 . . . . . . . . 4350 1 809 . 1 1 211 211 LYS H H 1 7.50 0.01 . 1 . . . . . . . . 4350 1 810 . 1 1 211 211 LYS HA H 1 4.09 0.01 . 1 . . . . . . . . 4350 1 811 . 1 1 211 211 LYS HB2 H 1 1.99 0.01 . 1 . . . . . . . . 4350 1 812 . 1 1 211 211 LYS HB3 H 1 1.99 0.01 . 1 . . . . . . . . 4350 1 813 . 1 1 211 211 LYS N N 15 118.2 0.1 . 1 . . . . . . . . 4350 1 814 . 1 1 212 212 ILE H H 1 7.37 0.01 . 1 . . . . . . . . 4350 1 815 . 1 1 212 212 ILE HA H 1 3.71 0.01 . 1 . . . . . . . . 4350 1 816 . 1 1 212 212 ILE HB H 1 1.66 0.01 . 1 . . . . . . . . 4350 1 817 . 1 1 212 212 ILE N N 15 119.4 0.1 . 1 . . . . . . . . 4350 1 818 . 1 1 213 213 LEU H H 1 7.99 0.01 . 1 . . . . . . . . 4350 1 819 . 1 1 213 213 LEU HA H 1 3.68 0.01 . 1 . . . . . . . . 4350 1 820 . 1 1 213 213 LEU HB2 H 1 1.80 0.01 . 2 . . . . . . . . 4350 1 821 . 1 1 213 213 LEU HG H 1 1.33 0.01 . 1 . . . . . . . . 4350 1 822 . 1 1 213 213 LEU HD11 H 1 -0.08 0.01 . 1 . . . . . . . . 4350 1 823 . 1 1 213 213 LEU HD12 H 1 -0.08 0.01 . 1 . . . . . . . . 4350 1 824 . 1 1 213 213 LEU HD13 H 1 -0.08 0.01 . 1 . . . . . . . . 4350 1 825 . 1 1 213 213 LEU HD21 H 1 0.48 0.01 . 1 . . . . . . . . 4350 1 826 . 1 1 213 213 LEU HD22 H 1 0.48 0.01 . 1 . . . . . . . . 4350 1 827 . 1 1 213 213 LEU HD23 H 1 0.48 0.01 . 1 . . . . . . . . 4350 1 828 . 1 1 213 213 LEU N N 15 117.7 0.1 . 1 . . . . . . . . 4350 1 829 . 1 1 214 214 GLY H H 1 7.70 0.01 . 1 . . . . . . . . 4350 1 830 . 1 1 214 214 GLY HA2 H 1 4.02 0.01 . 2 . . . . . . . . 4350 1 831 . 1 1 214 214 GLY HA3 H 1 3.70 0.01 . 2 . . . . . . . . 4350 1 832 . 1 1 214 214 GLY N N 15 112.5 0.1 . 1 . . . . . . . . 4350 1 stop_ save_