data_4152 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4152 _Entry.Title ; 1H, 13C and 15N Backbone Resonance Assignment of Escherichia coli Adenylate Kinase, a 23.6 kDa Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-06-22 _Entry.Accession_date 1998-06-22 _Entry.Last_release_date 2000-03-02 _Entry.Original_release_date 2000-03-02 _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, nitrogen-15 and carbon-13 resonance assignments for the E.coli adenylate kinase, a 214 residue protein. ; _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 . . . 4152 2 Veronique Perrier . . . 4152 3 Anne-Marie Gilles . . . 4152 4 Joel Mispelter . . . 4152 5 Octavian Barzu . . . 4152 6 Constantin Craescu . T. . 4152 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4152 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 381 4152 '15N chemical shifts' 200 4152 '1H chemical shifts' 909 4152 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 . . 2000-03-02 1998-06-22 original author . 4152 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4152 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99169957 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N Backbone Resonance Assignment of Escherichia coli Adenylate Kinase, a 23.6 kDa Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 13 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 93 _Citation.Page_last 94 _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 . . . 4152 1 2 Veronique Perrier . . . 4152 1 3 Anne-Marie Gilles . . . 4152 1 4 Joel Mispelter . . . 4152 1 5 Octavian Barzu . . . 4152 1 6 Constantin Craescu . T. . 4152 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Adenylate Kinase' 4152 1 AKe 4152 1 NMPkinase 4152 1 NMR 4152 1 'nuclear magnetic resonance' 4152 1 protein 4152 1 'resonance assignment' 4152 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_AKe _Assembly.Sf_category assembly _Assembly.Sf_framecode system_AKe _Assembly.Entry_ID 4152 _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 'not reported' _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 4152 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 AKe 1 $AKe . . . native . . . . . 4152 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 4152 1 AKe abbreviation 4152 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AKe _Entity.Sf_category entity _Entity.Sf_framecode AKe _Entity.Entry_ID 4152 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Adenylate kinase' _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 'not reported' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18683 . adenylate_kinase . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 1 2 no BMRB 18685 . adenylate_kinase . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 1 3 no BMRB 18686 . adenylate_kinase . . . . . 100.00 214 99.53 99.53 1.29e-150 . . . . 4152 1 4 no BMRB 18687 . adenylate_kinase . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 1 5 no BMRB 19089 . adenylate_kinase_wild_type . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 1 6 no BMRB 19090 . adenylate_kinase_wild_type . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 1 7 no BMRB 19091 . adenylate_kinase_wild_type . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 1 8 no BMRB 19092 . adenylate_kinase_R156K_mutant . . . . . 100.00 214 99.53 100.00 4.93e-151 . . . . 4152 1 9 no BMRB 19093 . adenylate_kinase_R156K_mutant . . . . . 100.00 214 99.53 100.00 4.93e-151 . . . . 4152 1 10 no BMRB 25353 . Kinase . . . . . 100.00 214 99.53 99.53 1.85e-150 . . . . 4152 1 11 no BMRB 25357 . Adenylate_Kinase_Y171W . . . . . 100.00 214 99.53 100.00 3.36e-151 . . . . 4152 1 12 no BMRB 25360 . Adenylate_Kinase_P177A . . . . . 100.00 214 99.53 99.53 1.85e-150 . . . . 4152 1 13 no BMRB 25361 . Adenylate_Kinase_Y171W . . . . . 100.00 214 99.53 100.00 3.36e-151 . . . . 4152 1 14 no BMRB 25362 . Adenylate_Kinase_Y171W . . . . . 100.00 214 99.53 100.00 3.36e-151 . . . . 4152 1 15 no BMRB 4193 . "Adenylate kinase" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 1 16 no BMRB 4350 . "Adenylate kinase from E. coli" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 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 . . . . 4152 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 . . . . 4152 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 . . . . 4152 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 . . . . 4152 1 21 no PDB 2ECK . "Structure Of Phosphotransferase" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 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 . . . . 4152 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 . . . . 4152 1 24 no PDB 3X2S . "Crystal Structure Of Pyrene-conjugated Adenylate Kinase" . . . . . 100.00 214 98.60 98.60 7.97e-149 . . . . 4152 1 25 no PDB 4AKE . "Adenylate Kinase" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 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 . . . . 4152 1 27 no PDB 4X8H . "Crystal Structure Of E. Coli Adenylate Kinase P177a Mutant" . . . . . 100.00 214 99.53 99.53 1.85e-150 . . . . 4152 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 . . . . 4152 1 29 no PDB 4X8M . "Crystal Structure Of E. Coli Adenylate Kinase Y171w Mutant" . . . . . 100.00 214 99.53 100.00 3.36e-151 . . . . 4152 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 . . . . 4152 1 31 no DBJ BAA14303 . "adenylate kinase [Escherichia coli K-12]" . . . . . 50.00 107 100.00 100.00 1.16e-68 . . . . 4152 1 32 no DBJ BAB33950 . "adenylate kinase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 1 33 no DBJ BAE76253 . "adenylate kinase [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 1 34 no DBJ BAG76023 . "adenylate kinase [Escherichia coli SE11]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 1 35 no DBJ BAI23848 . "adenylate kinase Adk [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 1 36 no EMBL CAA26840 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 1 37 no EMBL CAF33430 . "adenylate kinase [Escherichia coli]" . . . . . 71.96 154 100.00 100.00 3.99e-106 . . . . 4152 1 38 no EMBL CAF33431 . "adenylate kinase, partial [Escherichia coli]" . . . . . 71.96 154 100.00 100.00 3.99e-106 . . . . 4152 1 39 no EMBL CAF33432 . "adenylate kinase, partial [Escherichia coli]" . . . . . 71.96 154 100.00 100.00 3.99e-106 . . . . 4152 1 40 no EMBL CAF33433 . "adenylate kinase, partial [Escherichia coli]" . . . . . 71.96 154 100.00 100.00 3.99e-106 . . . . 4152 1 41 no GB AAA23461 . "adk ORF [Escherichia coli]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 1 42 no GB AAB40228 . "adenylate kinase [Escherichia coli]" . . . . . 100.00 233 100.00 100.00 6.36e-152 . . . . 4152 1 43 no GB AAC73576 . "adenylate kinase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 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 . . . . 4152 1 45 no GB AAM94352 . "adenylate kinase [Escherichia coli]" . . . . . 79.91 171 100.00 100.00 1.34e-119 . . . . 4152 1 46 no REF NP_308554 . "adenylate kinase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 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 . . . . 4152 1 48 no REF NP_706367 . "adenylate kinase [Shigella flexneri 2a str. 301]" . . . . . 100.00 214 99.53 99.53 1.75e-150 . . . . 4152 1 49 no REF WP_001220233 . "MULTISPECIES: adenylate kinase [Proteobacteria]" . . . . . 100.00 214 100.00 100.00 1.88e-151 . . . . 4152 1 50 no REF WP_001220235 . "adenylate kinase [Shigella flexneri]" . . . . . 100.00 214 99.53 99.53 1.75e-150 . . . . 4152 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 . . . . 4152 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 . . . . 4152 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 . . . . 4152 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 . . . . 4152 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 . . . . 4152 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Adenylate kinase' common 4152 1 AKe abbreviation 4152 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 . 4152 1 2 2 ARG . 4152 1 3 3 ILE . 4152 1 4 4 ILE . 4152 1 5 5 LEU . 4152 1 6 6 LEU . 4152 1 7 7 GLY . 4152 1 8 8 ALA . 4152 1 9 9 PRO . 4152 1 10 10 GLY . 4152 1 11 11 ALA . 4152 1 12 12 GLY . 4152 1 13 13 LYS . 4152 1 14 14 GLY . 4152 1 15 15 THR . 4152 1 16 16 GLN . 4152 1 17 17 ALA . 4152 1 18 18 GLN . 4152 1 19 19 PHE . 4152 1 20 20 ILE . 4152 1 21 21 MET . 4152 1 22 22 GLU . 4152 1 23 23 LYS . 4152 1 24 24 TYR . 4152 1 25 25 GLY . 4152 1 26 26 ILE . 4152 1 27 27 PRO . 4152 1 28 28 GLN . 4152 1 29 29 ILE . 4152 1 30 30 SER . 4152 1 31 31 THR . 4152 1 32 32 GLY . 4152 1 33 33 ASP . 4152 1 34 34 MET . 4152 1 35 35 LEU . 4152 1 36 36 ARG . 4152 1 37 37 ALA . 4152 1 38 38 ALA . 4152 1 39 39 VAL . 4152 1 40 40 LYS . 4152 1 41 41 SER . 4152 1 42 42 GLY . 4152 1 43 43 SER . 4152 1 44 44 GLU . 4152 1 45 45 LEU . 4152 1 46 46 GLY . 4152 1 47 47 LYS . 4152 1 48 48 GLN . 4152 1 49 49 ALA . 4152 1 50 50 LYS . 4152 1 51 51 ASP . 4152 1 52 52 ILE . 4152 1 53 53 MET . 4152 1 54 54 ASP . 4152 1 55 55 ALA . 4152 1 56 56 GLY . 4152 1 57 57 LYS . 4152 1 58 58 LEU . 4152 1 59 59 VAL . 4152 1 60 60 THR . 4152 1 61 61 ASP . 4152 1 62 62 GLU . 4152 1 63 63 LEU . 4152 1 64 64 VAL . 4152 1 65 65 ILE . 4152 1 66 66 ALA . 4152 1 67 67 LEU . 4152 1 68 68 VAL . 4152 1 69 69 LYS . 4152 1 70 70 GLU . 4152 1 71 71 ARG . 4152 1 72 72 ILE . 4152 1 73 73 ALA . 4152 1 74 74 GLN . 4152 1 75 75 GLU . 4152 1 76 76 ASP . 4152 1 77 77 CYS . 4152 1 78 78 ARG . 4152 1 79 79 ASN . 4152 1 80 80 GLY . 4152 1 81 81 PHE . 4152 1 82 82 LEU . 4152 1 83 83 LEU . 4152 1 84 84 ASP . 4152 1 85 85 GLY . 4152 1 86 86 PHE . 4152 1 87 87 PRO . 4152 1 88 88 ARG . 4152 1 89 89 THR . 4152 1 90 90 ILE . 4152 1 91 91 PRO . 4152 1 92 92 GLN . 4152 1 93 93 ALA . 4152 1 94 94 ASP . 4152 1 95 95 ALA . 4152 1 96 96 MET . 4152 1 97 97 LYS . 4152 1 98 98 GLU . 4152 1 99 99 ALA . 4152 1 100 100 GLY . 4152 1 101 101 ILE . 4152 1 102 102 ASN . 4152 1 103 103 VAL . 4152 1 104 104 ASP . 4152 1 105 105 TYR . 4152 1 106 106 VAL . 4152 1 107 107 LEU . 4152 1 108 108 GLU . 4152 1 109 109 PHE . 4152 1 110 110 ASP . 4152 1 111 111 VAL . 4152 1 112 112 PRO . 4152 1 113 113 ASP . 4152 1 114 114 GLU . 4152 1 115 115 LEU . 4152 1 116 116 ILE . 4152 1 117 117 VAL . 4152 1 118 118 ASP . 4152 1 119 119 ARG . 4152 1 120 120 ILE . 4152 1 121 121 VAL . 4152 1 122 122 GLY . 4152 1 123 123 ARG . 4152 1 124 124 ARG . 4152 1 125 125 VAL . 4152 1 126 126 HIS . 4152 1 127 127 ALA . 4152 1 128 128 PRO . 4152 1 129 129 SER . 4152 1 130 130 GLY . 4152 1 131 131 ARG . 4152 1 132 132 VAL . 4152 1 133 133 TYR . 4152 1 134 134 HIS . 4152 1 135 135 VAL . 4152 1 136 136 LYS . 4152 1 137 137 PHE . 4152 1 138 138 ASN . 4152 1 139 139 PRO . 4152 1 140 140 PRO . 4152 1 141 141 LYS . 4152 1 142 142 VAL . 4152 1 143 143 GLU . 4152 1 144 144 GLY . 4152 1 145 145 LYS . 4152 1 146 146 ASP . 4152 1 147 147 ASP . 4152 1 148 148 VAL . 4152 1 149 149 THR . 4152 1 150 150 GLY . 4152 1 151 151 GLU . 4152 1 152 152 GLU . 4152 1 153 153 LEU . 4152 1 154 154 THR . 4152 1 155 155 THR . 4152 1 156 156 ARG . 4152 1 157 157 LYS . 4152 1 158 158 ASP . 4152 1 159 159 ASP . 4152 1 160 160 GLN . 4152 1 161 161 GLU . 4152 1 162 162 GLU . 4152 1 163 163 THR . 4152 1 164 164 VAL . 4152 1 165 165 ARG . 4152 1 166 166 LYS . 4152 1 167 167 ARG . 4152 1 168 168 LEU . 4152 1 169 169 VAL . 4152 1 170 170 GLU . 4152 1 171 171 TYR . 4152 1 172 172 HIS . 4152 1 173 173 GLN . 4152 1 174 174 MET . 4152 1 175 175 THR . 4152 1 176 176 ALA . 4152 1 177 177 PRO . 4152 1 178 178 LEU . 4152 1 179 179 ILE . 4152 1 180 180 GLY . 4152 1 181 181 TYR . 4152 1 182 182 TYR . 4152 1 183 183 SER . 4152 1 184 184 LYS . 4152 1 185 185 GLU . 4152 1 186 186 ALA . 4152 1 187 187 GLU . 4152 1 188 188 ALA . 4152 1 189 189 GLY . 4152 1 190 190 ASN . 4152 1 191 191 THR . 4152 1 192 192 LYS . 4152 1 193 193 TYR . 4152 1 194 194 ALA . 4152 1 195 195 LYS . 4152 1 196 196 VAL . 4152 1 197 197 ASP . 4152 1 198 198 GLY . 4152 1 199 199 THR . 4152 1 200 200 LYS . 4152 1 201 201 PRO . 4152 1 202 202 VAL . 4152 1 203 203 ALA . 4152 1 204 204 GLU . 4152 1 205 205 VAL . 4152 1 206 206 ARG . 4152 1 207 207 ALA . 4152 1 208 208 ASP . 4152 1 209 209 LEU . 4152 1 210 210 GLU . 4152 1 211 211 LYS . 4152 1 212 212 ILE . 4152 1 213 213 LEU . 4152 1 214 214 GLY . 4152 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 4152 1 . ARG 2 2 4152 1 . ILE 3 3 4152 1 . ILE 4 4 4152 1 . LEU 5 5 4152 1 . LEU 6 6 4152 1 . GLY 7 7 4152 1 . ALA 8 8 4152 1 . PRO 9 9 4152 1 . GLY 10 10 4152 1 . ALA 11 11 4152 1 . GLY 12 12 4152 1 . LYS 13 13 4152 1 . GLY 14 14 4152 1 . THR 15 15 4152 1 . GLN 16 16 4152 1 . ALA 17 17 4152 1 . GLN 18 18 4152 1 . PHE 19 19 4152 1 . ILE 20 20 4152 1 . MET 21 21 4152 1 . GLU 22 22 4152 1 . LYS 23 23 4152 1 . TYR 24 24 4152 1 . GLY 25 25 4152 1 . ILE 26 26 4152 1 . PRO 27 27 4152 1 . GLN 28 28 4152 1 . ILE 29 29 4152 1 . SER 30 30 4152 1 . THR 31 31 4152 1 . GLY 32 32 4152 1 . ASP 33 33 4152 1 . MET 34 34 4152 1 . LEU 35 35 4152 1 . ARG 36 36 4152 1 . ALA 37 37 4152 1 . ALA 38 38 4152 1 . VAL 39 39 4152 1 . LYS 40 40 4152 1 . SER 41 41 4152 1 . GLY 42 42 4152 1 . SER 43 43 4152 1 . GLU 44 44 4152 1 . LEU 45 45 4152 1 . GLY 46 46 4152 1 . LYS 47 47 4152 1 . GLN 48 48 4152 1 . ALA 49 49 4152 1 . LYS 50 50 4152 1 . ASP 51 51 4152 1 . ILE 52 52 4152 1 . MET 53 53 4152 1 . ASP 54 54 4152 1 . ALA 55 55 4152 1 . GLY 56 56 4152 1 . LYS 57 57 4152 1 . LEU 58 58 4152 1 . VAL 59 59 4152 1 . THR 60 60 4152 1 . ASP 61 61 4152 1 . GLU 62 62 4152 1 . LEU 63 63 4152 1 . VAL 64 64 4152 1 . ILE 65 65 4152 1 . ALA 66 66 4152 1 . LEU 67 67 4152 1 . VAL 68 68 4152 1 . LYS 69 69 4152 1 . GLU 70 70 4152 1 . ARG 71 71 4152 1 . ILE 72 72 4152 1 . ALA 73 73 4152 1 . GLN 74 74 4152 1 . GLU 75 75 4152 1 . ASP 76 76 4152 1 . CYS 77 77 4152 1 . ARG 78 78 4152 1 . ASN 79 79 4152 1 . GLY 80 80 4152 1 . PHE 81 81 4152 1 . LEU 82 82 4152 1 . LEU 83 83 4152 1 . ASP 84 84 4152 1 . GLY 85 85 4152 1 . PHE 86 86 4152 1 . PRO 87 87 4152 1 . ARG 88 88 4152 1 . THR 89 89 4152 1 . ILE 90 90 4152 1 . PRO 91 91 4152 1 . GLN 92 92 4152 1 . ALA 93 93 4152 1 . ASP 94 94 4152 1 . ALA 95 95 4152 1 . MET 96 96 4152 1 . LYS 97 97 4152 1 . GLU 98 98 4152 1 . ALA 99 99 4152 1 . GLY 100 100 4152 1 . ILE 101 101 4152 1 . ASN 102 102 4152 1 . VAL 103 103 4152 1 . ASP 104 104 4152 1 . TYR 105 105 4152 1 . VAL 106 106 4152 1 . LEU 107 107 4152 1 . GLU 108 108 4152 1 . PHE 109 109 4152 1 . ASP 110 110 4152 1 . VAL 111 111 4152 1 . PRO 112 112 4152 1 . ASP 113 113 4152 1 . GLU 114 114 4152 1 . LEU 115 115 4152 1 . ILE 116 116 4152 1 . VAL 117 117 4152 1 . ASP 118 118 4152 1 . ARG 119 119 4152 1 . ILE 120 120 4152 1 . VAL 121 121 4152 1 . GLY 122 122 4152 1 . ARG 123 123 4152 1 . ARG 124 124 4152 1 . VAL 125 125 4152 1 . HIS 126 126 4152 1 . ALA 127 127 4152 1 . PRO 128 128 4152 1 . SER 129 129 4152 1 . GLY 130 130 4152 1 . ARG 131 131 4152 1 . VAL 132 132 4152 1 . TYR 133 133 4152 1 . HIS 134 134 4152 1 . VAL 135 135 4152 1 . LYS 136 136 4152 1 . PHE 137 137 4152 1 . ASN 138 138 4152 1 . PRO 139 139 4152 1 . PRO 140 140 4152 1 . LYS 141 141 4152 1 . VAL 142 142 4152 1 . GLU 143 143 4152 1 . GLY 144 144 4152 1 . LYS 145 145 4152 1 . ASP 146 146 4152 1 . ASP 147 147 4152 1 . VAL 148 148 4152 1 . THR 149 149 4152 1 . GLY 150 150 4152 1 . GLU 151 151 4152 1 . GLU 152 152 4152 1 . LEU 153 153 4152 1 . THR 154 154 4152 1 . THR 155 155 4152 1 . ARG 156 156 4152 1 . LYS 157 157 4152 1 . ASP 158 158 4152 1 . ASP 159 159 4152 1 . GLN 160 160 4152 1 . GLU 161 161 4152 1 . GLU 162 162 4152 1 . THR 163 163 4152 1 . VAL 164 164 4152 1 . ARG 165 165 4152 1 . LYS 166 166 4152 1 . ARG 167 167 4152 1 . LEU 168 168 4152 1 . VAL 169 169 4152 1 . GLU 170 170 4152 1 . TYR 171 171 4152 1 . HIS 172 172 4152 1 . GLN 173 173 4152 1 . MET 174 174 4152 1 . THR 175 175 4152 1 . ALA 176 176 4152 1 . PRO 177 177 4152 1 . LEU 178 178 4152 1 . ILE 179 179 4152 1 . GLY 180 180 4152 1 . TYR 181 181 4152 1 . TYR 182 182 4152 1 . SER 183 183 4152 1 . LYS 184 184 4152 1 . GLU 185 185 4152 1 . ALA 186 186 4152 1 . GLU 187 187 4152 1 . ALA 188 188 4152 1 . GLY 189 189 4152 1 . ASN 190 190 4152 1 . THR 191 191 4152 1 . LYS 192 192 4152 1 . TYR 193 193 4152 1 . ALA 194 194 4152 1 . LYS 195 195 4152 1 . VAL 196 196 4152 1 . ASP 197 197 4152 1 . GLY 198 198 4152 1 . THR 199 199 4152 1 . LYS 200 200 4152 1 . PRO 201 201 4152 1 . VAL 202 202 4152 1 . ALA 203 203 4152 1 . GLU 204 204 4152 1 . VAL 205 205 4152 1 . ARG 206 206 4152 1 . ALA 207 207 4152 1 . ASP 208 208 4152 1 . LEU 209 209 4152 1 . GLU 210 210 4152 1 . LYS 211 211 4152 1 . ILE 212 212 4152 1 . LEU 213 213 4152 1 . GLY 214 214 4152 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 4152 _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 $AKe . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4152 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 4152 _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 $AKe . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli HfrP4x8 . . . . . . . . . . . . Plasmid . . 'pIPD37(derived from pBR322)' . . . . . . 4152 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4152 _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' . . . 1 $AKe . . 1.2 . . mM . . . . 4152 1 2 H2O . . . . . . . 93 . . % . . . . 4152 1 3 D2O . . . . . . . 7 . . % . . . . 4152 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4152 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Adenylate kinase' [U-15N] . . 1 $AKe . . 1.0 . . mM . . . . 4152 2 2 H2O . . . . . . . 93 . . % . . . . 4152 2 3 D2O . . . . . . . 7 . . % . . . . 4152 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4152 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Adenylate kinase' '[U-13C; U15-N]' . . 1 $AKe . . 1.0 . . mM . . . . 4152 3 2 H2O . . . . . . . 93 . . % . . . . 4152 3 3 D2O . . . . . . . 7 . . % . . . . 4152 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4152 _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 4152 1 temperature 308 . K 4152 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4152 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4152 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4152 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Varian Unity . 500 . . . 4152 1 2 NMR_spectrometer_two Bruker AMX . 600 . . . 4152 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 4152 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4152 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl carbon' . . . . ppm 67.8 external indirect . . . . . . . . . . 4152 1 H 1 H2O proton . . . . ppm 4.68 internal direct . . . . . . . . . . 4152 1 N 15 'liquid ammonia' nitrogen . . . . ppm 0.0 external . . . . . . . . . . . 4152 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_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4152 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4152 1 . . 2 $sample_two . 4152 1 . . 3 $sample_three . 4152 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 9.69 0.01 . 1 . . . . . . . . 4152 1 2 . 1 1 2 2 ARG HA H 1 4.76 0.01 . 1 . . . . . . . . 4152 1 3 . 1 1 2 2 ARG N N 15 127.0 0.1 . 1 . . . . . . . . 4152 1 4 . 1 1 2 2 ARG CA C 13 52.2 0.1 . 1 . . . . . . . . 4152 1 5 . 1 1 2 2 ARG CB C 13 29.9 0.1 . 1 . . . . . . . . 4152 1 6 . 1 1 3 3 ILE H H 1 8.61 0.01 . 1 . . . . . . . . 4152 1 7 . 1 1 3 3 ILE HA H 1 5.36 0.01 . 1 . . . . . . . . 4152 1 8 . 1 1 3 3 ILE HB H 1 1.56 0.01 . 1 . . . . . . . . 4152 1 9 . 1 1 3 3 ILE N N 15 124.8 0.1 . 1 . . . . . . . . 4152 1 10 . 1 1 3 3 ILE CA C 13 57.0 0.1 . 1 . . . . . . . . 4152 1 11 . 1 1 3 3 ILE CB C 13 42.1 0.1 . 1 . . . . . . . . 4152 1 12 . 1 1 4 4 ILE H H 1 8.67 0.01 . 1 . . . . . . . . 4152 1 13 . 1 1 4 4 ILE HA H 1 4.68 0.01 . 1 . . . . . . . . 4152 1 14 . 1 1 4 4 ILE HB H 1 1.72 0.01 . 1 . . . . . . . . 4152 1 15 . 1 1 4 4 ILE HG21 H 1 1.57 0.01 . 1 . . . . . . . . 4152 1 16 . 1 1 4 4 ILE HG22 H 1 1.57 0.01 . 1 . . . . . . . . 4152 1 17 . 1 1 4 4 ILE HG23 H 1 1.57 0.01 . 1 . . . . . . . . 4152 1 18 . 1 1 4 4 ILE HD11 H 1 0.88 0.01 . 1 . . . . . . . . 4152 1 19 . 1 1 4 4 ILE HD12 H 1 0.88 0.01 . 1 . . . . . . . . 4152 1 20 . 1 1 4 4 ILE HD13 H 1 0.88 0.01 . 1 . . . . . . . . 4152 1 21 . 1 1 4 4 ILE HG13 H 1 0.97 0.01 . 2 . . . . . . . . 4152 1 22 . 1 1 4 4 ILE N N 15 126.1 0.1 . 1 . . . . . . . . 4152 1 23 . 1 1 4 4 ILE CA C 13 59.0 0.1 . 1 . . . . . . . . 4152 1 24 . 1 1 4 4 ILE CB C 13 39.0 0.1 . 1 . . . . . . . . 4152 1 25 . 1 1 5 5 LEU H H 1 8.46 0.01 . 1 . . . . . . . . 4152 1 26 . 1 1 5 5 LEU HA H 1 5.29 0.01 . 1 . . . . . . . . 4152 1 27 . 1 1 5 5 LEU HB2 H 1 1.55 0.01 . 1 . . . . . . . . 4152 1 28 . 1 1 5 5 LEU HB3 H 1 1.55 0.01 . 1 . . . . . . . . 4152 1 29 . 1 1 5 5 LEU HG H 1 1.43 0.01 . 1 . . . . . . . . 4152 1 30 . 1 1 5 5 LEU HD11 H 1 0.87 0.01 . 2 . . . . . . . . 4152 1 31 . 1 1 5 5 LEU HD12 H 1 0.87 0.01 . 2 . . . . . . . . 4152 1 32 . 1 1 5 5 LEU HD13 H 1 0.87 0.01 . 2 . . . . . . . . 4152 1 33 . 1 1 5 5 LEU HD21 H 1 0.81 0.01 . 2 . . . . . . . . 4152 1 34 . 1 1 5 5 LEU HD22 H 1 0.81 0.01 . 2 . . . . . . . . 4152 1 35 . 1 1 5 5 LEU HD23 H 1 0.81 0.01 . 2 . . . . . . . . 4152 1 36 . 1 1 5 5 LEU N N 15 128.4 0.1 . 1 . . . . . . . . 4152 1 37 . 1 1 5 5 LEU CA C 13 51.0 0.1 . 1 . . . . . . . . 4152 1 38 . 1 1 5 5 LEU CB C 13 42.6 0.1 . 1 . . . . . . . . 4152 1 39 . 1 1 6 6 LEU H H 1 9.31 0.01 . 1 . . . . . . . . 4152 1 40 . 1 1 6 6 LEU HA H 1 5.11 0.01 . 1 . . . . . . . . 4152 1 41 . 1 1 6 6 LEU HB2 H 1 1.69 0.01 . 2 . . . . . . . . 4152 1 42 . 1 1 6 6 LEU HB3 H 1 1.65 0.01 . 2 . . . . . . . . 4152 1 43 . 1 1 6 6 LEU HG H 1 1.79 0.01 . 1 . . . . . . . . 4152 1 44 . 1 1 6 6 LEU HD11 H 1 0.86 0.01 . 2 . . . . . . . . 4152 1 45 . 1 1 6 6 LEU HD12 H 1 0.86 0.01 . 2 . . . . . . . . 4152 1 46 . 1 1 6 6 LEU HD13 H 1 0.86 0.01 . 2 . . . . . . . . 4152 1 47 . 1 1 6 6 LEU HD21 H 1 0.96 0.01 . 2 . . . . . . . . 4152 1 48 . 1 1 6 6 LEU HD22 H 1 0.96 0.01 . 2 . . . . . . . . 4152 1 49 . 1 1 6 6 LEU HD23 H 1 0.96 0.01 . 2 . . . . . . . . 4152 1 50 . 1 1 6 6 LEU N N 15 126.9 0.1 . 1 . . . . . . . . 4152 1 51 . 1 1 6 6 LEU CA C 13 50.8 0.1 . 1 . . . . . . . . 4152 1 52 . 1 1 6 6 LEU CB C 13 42.6 0.1 . 1 . . . . . . . . 4152 1 53 . 1 1 7 7 GLY H H 1 8.12 0.01 . 1 . . . . . . . . 4152 1 54 . 1 1 7 7 GLY HA2 H 1 3.99 0.01 . 2 . . . . . . . . 4152 1 55 . 1 1 7 7 GLY HA3 H 1 4.40 0.01 . 2 . . . . . . . . 4152 1 56 . 1 1 7 7 GLY N N 15 108.6 0.1 . 1 . . . . . . . . 4152 1 57 . 1 1 7 7 GLY CA C 13 43.7 0.1 . 1 . . . . . . . . 4152 1 58 . 1 1 8 8 ALA H H 1 9.18 0.01 . 1 . . . . . . . . 4152 1 59 . 1 1 8 8 ALA N N 15 126.8 0.1 . 1 . . . . . . . . 4152 1 60 . 1 1 8 8 ALA CA C 13 47.6 0.1 . 1 . . . . . . . . 4152 1 61 . 1 1 8 8 ALA CB C 13 16.0 0.1 . 1 . . . . . . . . 4152 1 62 . 1 1 9 9 PRO HA H 1 4.37 0.01 . 1 . . . . . . . . 4152 1 63 . 1 1 9 9 PRO CA C 13 60.0 0.1 . 1 . . . . . . . . 4152 1 64 . 1 1 10 10 GLY H H 1 8.40 0.01 . 1 . . . . . . . . 4152 1 65 . 1 1 10 10 GLY HA2 H 1 4.23 0.01 . 2 . . . . . . . . 4152 1 66 . 1 1 10 10 GLY N N 15 111.6 0.1 . 1 . . . . . . . . 4152 1 67 . 1 1 10 10 GLY CA C 13 43.0 0.1 . 1 . . . . . . . . 4152 1 68 . 1 1 11 11 ALA H H 1 8.22 0.01 . 1 . . . . . . . . 4152 1 69 . 1 1 11 11 ALA HA H 1 4.37 0.01 . 1 . . . . . . . . 4152 1 70 . 1 1 11 11 ALA HB1 H 1 1.42 0.01 . 1 . . . . . . . . 4152 1 71 . 1 1 11 11 ALA HB2 H 1 1.42 0.01 . 1 . . . . . . . . 4152 1 72 . 1 1 11 11 ALA HB3 H 1 1.42 0.01 . 1 . . . . . . . . 4152 1 73 . 1 1 11 11 ALA N N 15 124.2 0.1 . 1 . . . . . . . . 4152 1 74 . 1 1 11 11 ALA CA C 13 50.4 0.1 . 1 . . . . . . . . 4152 1 75 . 1 1 11 11 ALA CB C 13 17.5 0.1 . 1 . . . . . . . . 4152 1 76 . 1 1 12 12 GLY H H 1 8.30 0.01 . 1 . . . . . . . . 4152 1 77 . 1 1 12 12 GLY N N 15 107.5 0.1 . 1 . . . . . . . . 4152 1 78 . 1 1 12 12 GLY CA C 13 43.0 0.1 . 1 . . . . . . . . 4152 1 79 . 1 1 13 13 LYS H H 1 8.23 0.01 . 1 . . . . . . . . 4152 1 80 . 1 1 13 13 LYS HA H 1 4.33 0.01 . 1 . . . . . . . . 4152 1 81 . 1 1 13 13 LYS HB2 H 1 1.94 0.01 . 2 . . . . . . . . 4152 1 82 . 1 1 13 13 LYS HB3 H 1 1.98 0.01 . 2 . . . . . . . . 4152 1 83 . 1 1 13 13 LYS N N 15 120.5 0.1 . 1 . . . . . . . . 4152 1 84 . 1 1 13 13 LYS CA C 13 54.3 0.1 . 1 . . . . . . . . 4152 1 85 . 1 1 13 13 LYS CB C 13 28.0 0.1 . 1 . . . . . . . . 4152 1 86 . 1 1 14 14 GLY H H 1 8.52 0.01 . 1 . . . . . . . . 4152 1 87 . 1 1 14 14 GLY HA2 H 1 4.29 0.01 . 2 . . . . . . . . 4152 1 88 . 1 1 14 14 GLY HA3 H 1 3.76 0.01 . 2 . . . . . . . . 4152 1 89 . 1 1 14 14 GLY N N 15 110.7 0.1 . 1 . . . . . . . . 4152 1 90 . 1 1 14 14 GLY CA C 13 43.3 0.1 . 1 . . . . . . . . 4152 1 91 . 1 1 15 15 THR H H 1 7.61 0.01 . 1 . . . . . . . . 4152 1 92 . 1 1 15 15 THR HA H 1 4.00 0.01 . 1 . . . . . . . . 4152 1 93 . 1 1 15 15 THR N N 15 116.4 0.1 . 1 . . . . . . . . 4152 1 94 . 1 1 15 15 THR CA C 13 63.6 0.1 . 1 . . . . . . . . 4152 1 95 . 1 1 15 15 THR CB C 13 67.0 0.1 . 1 . . . . . . . . 4152 1 96 . 1 1 16 16 GLN H H 1 7.18 0.01 . 1 . . . . . . . . 4152 1 97 . 1 1 16 16 GLN HA H 1 4.00 0.01 . 1 . . . . . . . . 4152 1 98 . 1 1 16 16 GLN HB2 H 1 2.03 0.01 . 1 . . . . . . . . 4152 1 99 . 1 1 16 16 GLN HB3 H 1 2.03 0.01 . 1 . . . . . . . . 4152 1 100 . 1 1 16 16 GLN N N 15 118.2 0.1 . 1 . . . . . . . . 4152 1 101 . 1 1 16 16 GLN CA C 13 53.2 0.1 . 1 . . . . . . . . 4152 1 102 . 1 1 16 16 GLN CB C 13 23.8 0.1 . 1 . . . . . . . . 4152 1 103 . 1 1 17 17 ALA H H 1 8.28 0.01 . 1 . . . . . . . . 4152 1 104 . 1 1 17 17 ALA HA H 1 3.79 0.01 . 1 . . . . . . . . 4152 1 105 . 1 1 17 17 ALA HB1 H 1 1.40 0.01 . 1 . . . . . . . . 4152 1 106 . 1 1 17 17 ALA HB2 H 1 1.40 0.01 . 1 . . . . . . . . 4152 1 107 . 1 1 17 17 ALA HB3 H 1 1.40 0.01 . 1 . . . . . . . . 4152 1 108 . 1 1 17 17 ALA N N 15 122.8 0.1 . 1 . . . . . . . . 4152 1 109 . 1 1 17 17 ALA CA C 13 53.3 0.1 . 1 . . . . . . . . 4152 1 110 . 1 1 17 17 ALA CB C 13 16.6 0.1 . 1 . . . . . . . . 4152 1 111 . 1 1 18 18 GLN H H 1 7.70 0.01 . 1 . . . . . . . . 4152 1 112 . 1 1 18 18 GLN HA H 1 4.07 0.01 . 1 . . . . . . . . 4152 1 113 . 1 1 18 18 GLN HB2 H 1 2.05 0.01 . 2 . . . . . . . . 4152 1 114 . 1 1 18 18 GLN HB3 H 1 2.08 0.01 . 2 . . . . . . . . 4152 1 115 . 1 1 18 18 GLN N N 15 114.9 0.1 . 1 . . . . . . . . 4152 1 116 . 1 1 18 18 GLN CA C 13 56.6 0.1 . 1 . . . . . . . . 4152 1 117 . 1 1 18 18 GLN CB C 13 25.5 0.1 . 1 . . . . . . . . 4152 1 118 . 1 1 19 19 PHE H H 1 7.02 0.01 . 1 . . . . . . . . 4152 1 119 . 1 1 19 19 PHE HA H 1 4.46 0.01 . 1 . . . . . . . . 4152 1 120 . 1 1 19 19 PHE HB2 H 1 3.25 0.01 . 2 . . . . . . . . 4152 1 121 . 1 1 19 19 PHE HB3 H 1 3.39 0.01 . 2 . . . . . . . . 4152 1 122 . 1 1 19 19 PHE HD1 H 1 7.27 0.01 . 1 . . . . . . . . 4152 1 123 . 1 1 19 19 PHE HD2 H 1 7.27 0.01 . 1 . . . . . . . . 4152 1 124 . 1 1 19 19 PHE N N 15 119.0 0.1 . 1 . . . . . . . . 4152 1 125 . 1 1 19 19 PHE CA C 13 57.9 0.1 . 1 . . . . . . . . 4152 1 126 . 1 1 19 19 PHE CB C 13 36.7 0.1 . 1 . . . . . . . . 4152 1 127 . 1 1 20 20 ILE H H 1 8.02 0.01 . 1 . . . . . . . . 4152 1 128 . 1 1 20 20 ILE N N 15 120.3 0.1 . 1 . . . . . . . . 4152 1 129 . 1 1 20 20 ILE CA C 13 63.3 0.1 . 1 . . . . . . . . 4152 1 130 . 1 1 22 22 GLU H H 1 7.85 0.01 . 1 . . . . . . . . 4152 1 131 . 1 1 22 22 GLU HA H 1 3.95 0.01 . 1 . . . . . . . . 4152 1 132 . 1 1 22 22 GLU HB2 H 1 1.98 0.01 . 2 . . . . . . . . 4152 1 133 . 1 1 22 22 GLU HB3 H 1 2.03 0.01 . 2 . . . . . . . . 4152 1 134 . 1 1 22 22 GLU N N 15 117.9 0.1 . 1 . . . . . . . . 4152 1 135 . 1 1 22 22 GLU CA C 13 56.3 0.1 . 1 . . . . . . . . 4152 1 136 . 1 1 22 22 GLU CB C 13 27.4 0.1 . 1 . . . . . . . . 4152 1 137 . 1 1 23 23 LYS H H 1 8.26 0.01 . 1 . . . . . . . . 4152 1 138 . 1 1 23 23 LYS HA H 1 3.76 0.01 . 1 . . . . . . . . 4152 1 139 . 1 1 23 23 LYS N N 15 120.1 0.1 . 1 . . . . . . . . 4152 1 140 . 1 1 23 23 LYS CA C 13 56.2 0.1 . 1 . . . . . . . . 4152 1 141 . 1 1 23 23 LYS CB C 13 29.4 0.1 . 1 . . . . . . . . 4152 1 142 . 1 1 24 24 TYR H H 1 7.89 0.01 . 1 . . . . . . . . 4152 1 143 . 1 1 24 24 TYR HA H 1 4.46 0.01 . 1 . . . . . . . . 4152 1 144 . 1 1 24 24 TYR HB2 H 1 3.19 0.01 . 2 . . . . . . . . 4152 1 145 . 1 1 24 24 TYR HD1 H 1 7.22 0.01 . 1 . . . . . . . . 4152 1 146 . 1 1 24 24 TYR HD2 H 1 7.22 0.01 . 1 . . . . . . . . 4152 1 147 . 1 1 24 24 TYR HE1 H 1 6.48 0.01 . 1 . . . . . . . . 4152 1 148 . 1 1 24 24 TYR HE2 H 1 6.48 0.01 . 1 . . . . . . . . 4152 1 149 . 1 1 24 24 TYR N N 15 112.7 0.1 . 1 . . . . . . . . 4152 1 150 . 1 1 24 24 TYR CA C 13 56.3 0.1 . 1 . . . . . . . . 4152 1 151 . 1 1 24 24 TYR CB C 13 36.2 0.1 . 1 . . . . . . . . 4152 1 152 . 1 1 25 25 GLY H H 1 7.74 0.01 . 1 . . . . . . . . 4152 1 153 . 1 1 25 25 GLY HA2 H 1 3.99 0.01 . 2 . . . . . . . . 4152 1 154 . 1 1 25 25 GLY HA3 H 1 3.85 0.01 . 2 . . . . . . . . 4152 1 155 . 1 1 25 25 GLY N N 15 111.0 0.1 . 1 . . . . . . . . 4152 1 156 . 1 1 25 25 GLY CA C 13 45.6 0.1 . 1 . . . . . . . . 4152 1 157 . 1 1 26 26 ILE H H 1 7.22 0.01 . 1 . . . . . . . . 4152 1 158 . 1 1 26 26 ILE HA H 1 4.92 0.01 . 1 . . . . . . . . 4152 1 159 . 1 1 26 26 ILE HB H 1 1.42 0.01 . 1 . . . . . . . . 4152 1 160 . 1 1 26 26 ILE N N 15 111.6 0.1 . 1 . . . . . . . . 4152 1 161 . 1 1 26 26 ILE CA C 13 54.3 0.1 . 1 . . . . . . . . 4152 1 162 . 1 1 26 26 ILE CB C 13 37.8 0.1 . 1 . . . . . . . . 4152 1 163 . 1 1 27 27 PRO HA H 1 4.66 0.01 . 1 . . . . . . . . 4152 1 164 . 1 1 27 27 PRO HB2 H 1 2.13 0.01 . 2 . . . . . . . . 4152 1 165 . 1 1 27 27 PRO CA C 13 59.8 0.1 . 1 . . . . . . . . 4152 1 166 . 1 1 27 27 PRO CB C 13 30.3 0.1 . 1 . . . . . . . . 4152 1 167 . 1 1 28 28 GLN H H 1 8.19 0.01 . 1 . . . . . . . . 4152 1 168 . 1 1 28 28 GLN HA H 1 5.13 0.01 . 1 . . . . . . . . 4152 1 169 . 1 1 28 28 GLN HB2 H 1 2.14 0.01 . 1 . . . . . . . . 4152 1 170 . 1 1 28 28 GLN HB3 H 1 2.14 0.01 . 1 . . . . . . . . 4152 1 171 . 1 1 28 28 GLN HG2 H 1 2.20 0.01 . 1 . . . . . . . . 4152 1 172 . 1 1 28 28 GLN HG3 H 1 2.20 0.01 . 1 . . . . . . . . 4152 1 173 . 1 1 28 28 GLN N N 15 119.4 0.1 . 1 . . . . . . . . 4152 1 174 . 1 1 28 28 GLN CA C 13 52.3 0.1 . 1 . . . . . . . . 4152 1 175 . 1 1 28 28 GLN CB C 13 28.3 0.1 . 1 . . . . . . . . 4152 1 176 . 1 1 29 29 ILE H H 1 9.42 0.01 . 1 . . . . . . . . 4152 1 177 . 1 1 29 29 ILE HA H 1 4.40 0.01 . 1 . . . . . . . . 4152 1 178 . 1 1 29 29 ILE HB H 1 1.90 0.01 . 1 . . . . . . . . 4152 1 179 . 1 1 29 29 ILE N N 15 127.6 0.1 . 1 . . . . . . . . 4152 1 180 . 1 1 29 29 ILE CA C 13 57.8 0.1 . 1 . . . . . . . . 4152 1 181 . 1 1 29 29 ILE CB C 13 36.9 0.1 . 1 . . . . . . . . 4152 1 182 . 1 1 30 30 SER H H 1 8.33 0.01 . 1 . . . . . . . . 4152 1 183 . 1 1 30 30 SER HA H 1 5.35 0.01 . 1 . . . . . . . . 4152 1 184 . 1 1 30 30 SER HB2 H 1 4.04 0.01 . 2 . . . . . . . . 4152 1 185 . 1 1 30 30 SER HB3 H 1 4.01 0.01 . 2 . . . . . . . . 4152 1 186 . 1 1 30 30 SER N N 15 120.7 0.1 . 1 . . . . . . . . 4152 1 187 . 1 1 30 30 SER CA C 13 53.2 0.1 . 1 . . . . . . . . 4152 1 188 . 1 1 30 30 SER CB C 13 63.3 0.1 . 1 . . . . . . . . 4152 1 189 . 1 1 31 31 THR H H 1 9.14 0.01 . 1 . . . . . . . . 4152 1 190 . 1 1 31 31 THR HA H 1 4.28 0.01 . 1 . . . . . . . . 4152 1 191 . 1 1 31 31 THR HB H 1 3.72 0.01 . 1 . . . . . . . . 4152 1 192 . 1 1 31 31 THR N N 15 118.4 0.1 . 1 . . . . . . . . 4152 1 193 . 1 1 31 31 THR CA C 13 64.8 0.1 . 1 . . . . . . . . 4152 1 194 . 1 1 32 32 GLY H H 1 8.73 0.01 . 1 . . . . . . . . 4152 1 195 . 1 1 32 32 GLY HA2 H 1 3.95 0.01 . 2 . . . . . . . . 4152 1 196 . 1 1 32 32 GLY HA3 H 1 3.77 0.01 . 2 . . . . . . . . 4152 1 197 . 1 1 32 32 GLY N N 15 110.0 0.1 . 1 . . . . . . . . 4152 1 198 . 1 1 32 32 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . 4152 1 199 . 1 1 33 33 ASP H H 1 7.54 0.01 . 1 . . . . . . . . 4152 1 200 . 1 1 33 33 ASP HA H 1 4.46 0.01 . 1 . . . . . . . . 4152 1 201 . 1 1 33 33 ASP HB2 H 1 2.76 0.01 . 2 . . . . . . . . 4152 1 202 . 1 1 33 33 ASP N N 15 121.5 0.1 . 1 . . . . . . . . 4152 1 203 . 1 1 33 33 ASP CA C 13 54.7 0.1 . 1 . . . . . . . . 4152 1 204 . 1 1 33 33 ASP CB C 13 38.6 0.1 . 1 . . . . . . . . 4152 1 205 . 1 1 34 34 MET H H 1 8.17 0.01 . 1 . . . . . . . . 4152 1 206 . 1 1 34 34 MET HA H 1 4.40 0.01 . 1 . . . . . . . . 4152 1 207 . 1 1 34 34 MET HB2 H 1 1.89 0.01 . 2 . . . . . . . . 4152 1 208 . 1 1 34 34 MET HB3 H 1 1.75 0.01 . 2 . . . . . . . . 4152 1 209 . 1 1 34 34 MET N N 15 120.0 0.1 . 1 . . . . . . . . 4152 1 210 . 1 1 34 34 MET CA C 13 54.8 0.1 . 1 . . . . . . . . 4152 1 211 . 1 1 35 35 LEU H H 1 8.39 0.01 . 1 . . . . . . . . 4152 1 212 . 1 1 35 35 LEU HA H 1 3.96 0.01 . 1 . . . . . . . . 4152 1 213 . 1 1 35 35 LEU HB2 H 1 1.84 0.01 . 2 . . . . . . . . 4152 1 214 . 1 1 35 35 LEU HB3 H 1 1.55 0.01 . 2 . . . . . . . . 4152 1 215 . 1 1 35 35 LEU N N 15 121.2 0.1 . 1 . . . . . . . . 4152 1 216 . 1 1 35 35 LEU CA C 13 55.8 0.1 . 1 . . . . . . . . 4152 1 217 . 1 1 35 35 LEU CB C 13 39.2 0.1 . 1 . . . . . . . . 4152 1 218 . 1 1 36 36 ARG H H 1 7.76 0.01 . 1 . . . . . . . . 4152 1 219 . 1 1 36 36 ARG HA H 1 3.94 0.01 . 1 . . . . . . . . 4152 1 220 . 1 1 36 36 ARG HB2 H 1 1.96 0.01 . 2 . . . . . . . . 4152 1 221 . 1 1 36 36 ARG HB3 H 1 1.85 0.01 . 2 . . . . . . . . 4152 1 222 . 1 1 36 36 ARG N N 15 117.7 0.1 . 1 . . . . . . . . 4152 1 223 . 1 1 36 36 ARG CA C 13 57.3 0.1 . 1 . . . . . . . . 4152 1 224 . 1 1 36 36 ARG CB C 13 27.7 0.1 . 1 . . . . . . . . 4152 1 225 . 1 1 37 37 ALA H H 1 8.05 0.01 . 1 . . . . . . . . 4152 1 226 . 1 1 37 37 ALA HA H 1 4.14 0.01 . 1 . . . . . . . . 4152 1 227 . 1 1 37 37 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . 4152 1 228 . 1 1 37 37 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . 4152 1 229 . 1 1 37 37 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . 4152 1 230 . 1 1 37 37 ALA N N 15 120.5 0.1 . 1 . . . . . . . . 4152 1 231 . 1 1 37 37 ALA CA C 13 52.2 0.1 . 1 . . . . . . . . 4152 1 232 . 1 1 37 37 ALA CB C 13 16.5 0.1 . 1 . . . . . . . . 4152 1 233 . 1 1 38 38 ALA H H 1 8.10 0.01 . 1 . . . . . . . . 4152 1 234 . 1 1 38 38 ALA HA H 1 4.19 0.01 . 1 . . . . . . . . 4152 1 235 . 1 1 38 38 ALA HB1 H 1 1.42 0.01 . 1 . . . . . . . . 4152 1 236 . 1 1 38 38 ALA HB2 H 1 1.42 0.01 . 1 . . . . . . . . 4152 1 237 . 1 1 38 38 ALA HB3 H 1 1.42 0.01 . 1 . . . . . . . . 4152 1 238 . 1 1 38 38 ALA N N 15 121.9 0.1 . 1 . . . . . . . . 4152 1 239 . 1 1 38 38 ALA CA C 13 52.6 0.1 . 1 . . . . . . . . 4152 1 240 . 1 1 38 38 ALA CB C 13 16.9 0.1 . 1 . . . . . . . . 4152 1 241 . 1 1 39 39 VAL H H 1 8.06 0.01 . 1 . . . . . . . . 4152 1 242 . 1 1 39 39 VAL HA H 1 3.63 0.01 . 1 . . . . . . . . 4152 1 243 . 1 1 39 39 VAL HB H 1 2.18 0.01 . 1 . . . . . . . . 4152 1 244 . 1 1 39 39 VAL HG11 H 1 1.09 0.01 . 2 . . . . . . . . 4152 1 245 . 1 1 39 39 VAL HG12 H 1 1.09 0.01 . 2 . . . . . . . . 4152 1 246 . 1 1 39 39 VAL HG13 H 1 1.09 0.01 . 2 . . . . . . . . 4152 1 247 . 1 1 39 39 VAL HG21 H 1 0.98 0.01 . 2 . . . . . . . . 4152 1 248 . 1 1 39 39 VAL HG22 H 1 0.98 0.01 . 2 . . . . . . . . 4152 1 249 . 1 1 39 39 VAL HG23 H 1 0.98 0.01 . 2 . . . . . . . . 4152 1 250 . 1 1 39 39 VAL N N 15 116.9 0.1 . 1 . . . . . . . . 4152 1 251 . 1 1 39 39 VAL CA C 13 63.6 0.1 . 1 . . . . . . . . 4152 1 252 . 1 1 39 39 VAL CB C 13 29.3 0.1 . 1 . . . . . . . . 4152 1 253 . 1 1 40 40 LYS H H 1 7.73 0.01 . 1 . . . . . . . . 4152 1 254 . 1 1 40 40 LYS HA H 1 4.20 0.01 . 1 . . . . . . . . 4152 1 255 . 1 1 40 40 LYS HB2 H 1 1.92 0.01 . 2 . . . . . . . . 4152 1 256 . 1 1 40 40 LYS HB3 H 1 1.96 0.01 . 2 . . . . . . . . 4152 1 257 . 1 1 40 40 LYS N N 15 119.3 0.1 . 1 . . . . . . . . 4152 1 258 . 1 1 40 40 LYS CA C 13 55.4 0.1 . 1 . . . . . . . . 4152 1 259 . 1 1 40 40 LYS CB C 13 30.2 0.1 . 1 . . . . . . . . 4152 1 260 . 1 1 41 41 SER H H 1 7.95 0.01 . 1 . . . . . . . . 4152 1 261 . 1 1 41 41 SER HA H 1 4.34 0.01 . 1 . . . . . . . . 4152 1 262 . 1 1 41 41 SER HB2 H 1 4.10 0.01 . 2 . . . . . . . . 4152 1 263 . 1 1 41 41 SER HB3 H 1 4.08 0.01 . 2 . . . . . . . . 4152 1 264 . 1 1 41 41 SER N N 15 113.8 0.1 . 1 . . . . . . . . 4152 1 265 . 1 1 41 41 SER CA C 13 57.5 0.1 . 1 . . . . . . . . 4152 1 266 . 1 1 41 41 SER CB C 13 62.3 0.1 . 1 . . . . . . . . 4152 1 267 . 1 1 42 42 GLY H H 1 7.96 0.01 . 1 . . . . . . . . 4152 1 268 . 1 1 42 42 GLY HA2 H 1 4.07 0.01 . 2 . . . . . . . . 4152 1 269 . 1 1 42 42 GLY HA3 H 1 3.91 0.01 . 2 . . . . . . . . 4152 1 270 . 1 1 42 42 GLY N N 15 109.9 0.1 . 1 . . . . . . . . 4152 1 271 . 1 1 42 42 GLY CA C 13 43.9 0.1 . 1 . . . . . . . . 4152 1 272 . 1 1 43 43 SER H H 1 7.87 0.01 . 1 . . . . . . . . 4152 1 273 . 1 1 43 43 SER HA H 1 4.45 0.01 . 1 . . . . . . . . 4152 1 274 . 1 1 43 43 SER HB2 H 1 3.25 0.01 . 2 . . . . . . . . 4152 1 275 . 1 1 43 43 SER HB3 H 1 3.20 0.01 . 2 . . . . . . . . 4152 1 276 . 1 1 43 43 SER N N 15 115.3 0.1 . 1 . . . . . . . . 4152 1 277 . 1 1 43 43 SER CA C 13 55.0 0.1 . 1 . . . . . . . . 4152 1 278 . 1 1 43 43 SER CB C 13 62.5 0.1 . 1 . . . . . . . . 4152 1 279 . 1 1 44 44 GLU H H 1 8.97 0.01 . 1 . . . . . . . . 4152 1 280 . 1 1 44 44 GLU HA H 1 4.08 0.01 . 1 . . . . . . . . 4152 1 281 . 1 1 44 44 GLU HB2 H 1 2.09 0.01 . 1 . . . . . . . . 4152 1 282 . 1 1 44 44 GLU HB3 H 1 2.09 0.01 . 1 . . . . . . . . 4152 1 283 . 1 1 44 44 GLU HG2 H 1 2.38 0.01 . 1 . . . . . . . . 4152 1 284 . 1 1 44 44 GLU HG3 H 1 2.38 0.01 . 1 . . . . . . . . 4152 1 285 . 1 1 44 44 GLU N N 15 122.8 0.1 . 1 . . . . . . . . 4152 1 286 . 1 1 44 44 GLU CA C 13 57.6 0.1 . 1 . . . . . . . . 4152 1 287 . 1 1 44 44 GLU CB C 13 26.7 0.1 . 1 . . . . . . . . 4152 1 288 . 1 1 45 45 LEU H H 1 8.38 0.01 . 1 . . . . . . . . 4152 1 289 . 1 1 45 45 LEU HA H 1 4.06 0.01 . 1 . . . . . . . . 4152 1 290 . 1 1 45 45 LEU HB2 H 1 1.66 0.01 . 2 . . . . . . . . 4152 1 291 . 1 1 45 45 LEU HB3 H 1 1.23 0.01 . 2 . . . . . . . . 4152 1 292 . 1 1 45 45 LEU N N 15 119.3 0.1 . 1 . . . . . . . . 4152 1 293 . 1 1 45 45 LEU CA C 13 55.3 0.1 . 1 . . . . . . . . 4152 1 294 . 1 1 45 45 LEU CB C 13 40.0 0.1 . 1 . . . . . . . . 4152 1 295 . 1 1 46 46 GLY H H 1 8.11 0.01 . 1 . . . . . . . . 4152 1 296 . 1 1 46 46 GLY HA2 H 1 3.41 0.01 . 2 . . . . . . . . 4152 1 297 . 1 1 46 46 GLY HA3 H 1 3.70 0.01 . 2 . . . . . . . . 4152 1 298 . 1 1 46 46 GLY N N 15 108.0 0.1 . 1 . . . . . . . . 4152 1 299 . 1 1 46 46 GLY CA C 13 44.8 0.1 . 1 . . . . . . . . 4152 1 300 . 1 1 47 47 LYS H H 1 8.36 0.01 . 1 . . . . . . . . 4152 1 301 . 1 1 47 47 LYS HA H 1 4.02 0.01 . 1 . . . . . . . . 4152 1 302 . 1 1 47 47 LYS HB2 H 1 1.94 0.01 . 2 . . . . . . . . 4152 1 303 . 1 1 47 47 LYS HB3 H 1 1.96 0.01 . 2 . . . . . . . . 4152 1 304 . 1 1 47 47 LYS N N 15 122.2 0.1 . 1 . . . . . . . . 4152 1 305 . 1 1 47 47 LYS CA C 13 57.0 0.1 . 1 . . . . . . . . 4152 1 306 . 1 1 47 47 LYS CB C 13 29.8 0.1 . 1 . . . . . . . . 4152 1 307 . 1 1 48 48 GLN H H 1 7.65 0.01 . 1 . . . . . . . . 4152 1 308 . 1 1 48 48 GLN HA H 1 4.13 0.01 . 1 . . . . . . . . 4152 1 309 . 1 1 48 48 GLN HB2 H 1 2.13 0.01 . 1 . . . . . . . . 4152 1 310 . 1 1 48 48 GLN HB3 H 1 2.13 0.01 . 1 . . . . . . . . 4152 1 311 . 1 1 48 48 GLN N N 15 118.9 0.1 . 1 . . . . . . . . 4152 1 312 . 1 1 48 48 GLN CA C 13 56.6 0.1 . 1 . . . . . . . . 4152 1 313 . 1 1 48 48 GLN CB C 13 26.3 0.1 . 1 . . . . . . . . 4152 1 314 . 1 1 49 49 ALA H H 1 8.34 0.01 . 1 . . . . . . . . 4152 1 315 . 1 1 49 49 ALA HA H 1 3.93 0.01 . 1 . . . . . . . . 4152 1 316 . 1 1 49 49 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 4152 1 317 . 1 1 49 49 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 4152 1 318 . 1 1 49 49 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 4152 1 319 . 1 1 49 49 ALA N N 15 120.7 0.1 . 1 . . . . . . . . 4152 1 320 . 1 1 49 49 ALA CA C 13 52.8 0.1 . 1 . . . . . . . . 4152 1 321 . 1 1 49 49 ALA CB C 13 16.2 0.1 . 1 . . . . . . . . 4152 1 322 . 1 1 50 50 LYS H H 1 8.39 0.01 . 1 . . . . . . . . 4152 1 323 . 1 1 50 50 LYS HA H 1 3.92 0.01 . 1 . . . . . . . . 4152 1 324 . 1 1 50 50 LYS HB2 H 1 2.05 0.01 . 2 . . . . . . . . 4152 1 325 . 1 1 50 50 LYS HB3 H 1 1.94 0.01 . 2 . . . . . . . . 4152 1 326 . 1 1 50 50 LYS N N 15 119.4 0.1 . 1 . . . . . . . . 4152 1 327 . 1 1 50 50 LYS CA C 13 57.5 0.1 . 1 . . . . . . . . 4152 1 328 . 1 1 50 50 LYS CB C 13 30.4 0.1 . 1 . . . . . . . . 4152 1 329 . 1 1 51 51 ASP H H 1 8.02 0.01 . 1 . . . . . . . . 4152 1 330 . 1 1 51 51 ASP HA H 1 4.40 0.01 . 1 . . . . . . . . 4152 1 331 . 1 1 51 51 ASP HB2 H 1 2.78 0.01 . 2 . . . . . . . . 4152 1 332 . 1 1 51 51 ASP HB3 H 1 2.64 0.01 . 2 . . . . . . . . 4152 1 333 . 1 1 51 51 ASP N N 15 118.6 0.1 . 1 . . . . . . . . 4152 1 334 . 1 1 51 51 ASP CA C 13 55.0 0.1 . 1 . . . . . . . . 4152 1 335 . 1 1 51 51 ASP CB C 13 38.2 0.1 . 1 . . . . . . . . 4152 1 336 . 1 1 52 52 ILE H H 1 7.61 0.01 . 1 . . . . . . . . 4152 1 337 . 1 1 52 52 ILE HA H 1 3.71 0.01 . 1 . . . . . . . . 4152 1 338 . 1 1 52 52 ILE HB H 1 1.94 0.01 . 1 . . . . . . . . 4152 1 339 . 1 1 52 52 ILE HG21 H 1 1.15 0.01 . 1 . . . . . . . . 4152 1 340 . 1 1 52 52 ILE HG22 H 1 1.15 0.01 . 1 . . . . . . . . 4152 1 341 . 1 1 52 52 ILE HG23 H 1 1.15 0.01 . 1 . . . . . . . . 4152 1 342 . 1 1 52 52 ILE HD11 H 1 0.90 0.01 . 1 . . . . . . . . 4152 1 343 . 1 1 52 52 ILE HD12 H 1 0.90 0.01 . 1 . . . . . . . . 4152 1 344 . 1 1 52 52 ILE HD13 H 1 0.90 0.01 . 1 . . . . . . . . 4152 1 345 . 1 1 52 52 ILE HG12 H 1 0.70 0.01 . 2 . . . . . . . . 4152 1 346 . 1 1 52 52 ILE N N 15 120.8 0.1 . 1 . . . . . . . . 4152 1 347 . 1 1 52 52 ILE CA C 13 62.7 0.1 . 1 . . . . . . . . 4152 1 348 . 1 1 52 52 ILE CB C 13 36.2 0.1 . 1 . . . . . . . . 4152 1 349 . 1 1 54 54 ASP H H 1 9.18 0.01 . 1 . . . . . . . . 4152 1 350 . 1 1 54 54 ASP HA H 1 4.46 0.01 . 1 . . . . . . . . 4152 1 351 . 1 1 54 54 ASP HB2 H 1 2.88 0.01 . 2 . . . . . . . . 4152 1 352 . 1 1 54 54 ASP HB3 H 1 2.68 0.01 . 2 . . . . . . . . 4152 1 353 . 1 1 54 54 ASP N N 15 122.0 0.1 . 1 . . . . . . . . 4152 1 354 . 1 1 54 54 ASP CA C 13 54.0 0.1 . 1 . . . . . . . . 4152 1 355 . 1 1 54 54 ASP CB C 13 37.8 0.1 . 1 . . . . . . . . 4152 1 356 . 1 1 55 55 ALA H H 1 7.38 0.01 . 1 . . . . . . . . 4152 1 357 . 1 1 55 55 ALA HA H 1 4.47 0.01 . 1 . . . . . . . . 4152 1 358 . 1 1 55 55 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 4152 1 359 . 1 1 55 55 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 4152 1 360 . 1 1 55 55 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 4152 1 361 . 1 1 55 55 ALA N N 15 120.0 0.1 . 1 . . . . . . . . 4152 1 362 . 1 1 55 55 ALA CA C 13 49.6 0.1 . 1 . . . . . . . . 4152 1 363 . 1 1 55 55 ALA CB C 13 17.3 0.1 . 1 . . . . . . . . 4152 1 364 . 1 1 56 56 GLY H H 1 8.06 0.01 . 1 . . . . . . . . 4152 1 365 . 1 1 56 56 GLY HA2 H 1 4.08 0.01 . 2 . . . . . . . . 4152 1 366 . 1 1 56 56 GLY HA3 H 1 3.88 0.01 . 2 . . . . . . . . 4152 1 367 . 1 1 56 56 GLY N N 15 107.8 0.1 . 1 . . . . . . . . 4152 1 368 . 1 1 56 56 GLY CA C 13 43.9 0.1 . 1 . . . . . . . . 4152 1 369 . 1 1 57 57 LYS H H 1 7.56 0.01 . 1 . . . . . . . . 4152 1 370 . 1 1 57 57 LYS HA H 1 4.48 0.01 . 1 . . . . . . . . 4152 1 371 . 1 1 57 57 LYS HB2 H 1 1.72 0.01 . 2 . . . . . . . . 4152 1 372 . 1 1 57 57 LYS HB3 H 1 1.95 0.01 . 2 . . . . . . . . 4152 1 373 . 1 1 57 57 LYS N N 15 119.4 0.1 . 1 . . . . . . . . 4152 1 374 . 1 1 57 57 LYS CA C 13 52.5 0.1 . 1 . . . . . . . . 4152 1 375 . 1 1 57 57 LYS CB C 13 32.4 0.1 . 1 . . . . . . . . 4152 1 376 . 1 1 58 58 LEU H H 1 7.88 0.01 . 1 . . . . . . . . 4152 1 377 . 1 1 58 58 LEU HA H 1 4.40 0.01 . 1 . . . . . . . . 4152 1 378 . 1 1 58 58 LEU N N 15 119.5 0.1 . 1 . . . . . . . . 4152 1 379 . 1 1 58 58 LEU CA C 13 51.4 0.1 . 1 . . . . . . . . 4152 1 380 . 1 1 58 58 LEU CB C 13 40.4 0.1 . 1 . . . . . . . . 4152 1 381 . 1 1 59 59 VAL H H 1 8.26 0.01 . 1 . . . . . . . . 4152 1 382 . 1 1 59 59 VAL HA H 1 3.84 0.01 . 1 . . . . . . . . 4152 1 383 . 1 1 59 59 VAL HB H 1 2.05 0.01 . 1 . . . . . . . . 4152 1 384 . 1 1 59 59 VAL HG11 H 1 1.01 0.01 . 1 . . . . . . . . 4152 1 385 . 1 1 59 59 VAL HG12 H 1 1.01 0.01 . 1 . . . . . . . . 4152 1 386 . 1 1 59 59 VAL HG13 H 1 1.01 0.01 . 1 . . . . . . . . 4152 1 387 . 1 1 59 59 VAL HG21 H 1 1.01 0.01 . 1 . . . . . . . . 4152 1 388 . 1 1 59 59 VAL HG22 H 1 1.01 0.01 . 1 . . . . . . . . 4152 1 389 . 1 1 59 59 VAL HG23 H 1 1.01 0.01 . 1 . . . . . . . . 4152 1 390 . 1 1 59 59 VAL N N 15 121.4 0.1 . 1 . . . . . . . . 4152 1 391 . 1 1 59 59 VAL CA C 13 61.4 0.1 . 1 . . . . . . . . 4152 1 392 . 1 1 59 59 VAL CB C 13 29.0 0.1 . 1 . . . . . . . . 4152 1 393 . 1 1 60 60 THR H H 1 7.06 0.01 . 1 . . . . . . . . 4152 1 394 . 1 1 60 60 THR HA H 1 4.32 0.01 . 1 . . . . . . . . 4152 1 395 . 1 1 60 60 THR HB H 1 4.75 0.01 . 1 . . . . . . . . 4152 1 396 . 1 1 60 60 THR N N 15 116.4 0.1 . 1 . . . . . . . . 4152 1 397 . 1 1 60 60 THR CA C 13 58.4 0.1 . 1 . . . . . . . . 4152 1 398 . 1 1 60 60 THR CB C 13 68.3 0.1 . 1 . . . . . . . . 4152 1 399 . 1 1 61 61 ASP H H 1 8.88 0.01 . 1 . . . . . . . . 4152 1 400 . 1 1 61 61 ASP HA H 1 4.37 0.01 . 1 . . . . . . . . 4152 1 401 . 1 1 61 61 ASP HB2 H 1 2.67 0.01 . 2 . . . . . . . . 4152 1 402 . 1 1 61 61 ASP HB3 H 1 2.48 0.01 . 2 . . . . . . . . 4152 1 403 . 1 1 61 61 ASP N N 15 122.0 0.1 . 1 . . . . . . . . 4152 1 404 . 1 1 61 61 ASP CA C 13 55.3 0.1 . 1 . . . . . . . . 4152 1 405 . 1 1 61 61 ASP CB C 13 37.8 0.1 . 1 . . . . . . . . 4152 1 406 . 1 1 62 62 GLU H H 1 8.80 0.01 . 1 . . . . . . . . 4152 1 407 . 1 1 62 62 GLU HA H 1 3.93 0.01 . 1 . . . . . . . . 4152 1 408 . 1 1 62 62 GLU HB2 H 1 1.96 0.01 . 2 . . . . . . . . 4152 1 409 . 1 1 62 62 GLU N N 15 117.3 0.1 . 1 . . . . . . . . 4152 1 410 . 1 1 62 62 GLU CA C 13 57.7 0.1 . 1 . . . . . . . . 4152 1 411 . 1 1 62 62 GLU CB C 13 26.4 0.1 . 1 . . . . . . . . 4152 1 412 . 1 1 63 63 LEU H H 1 7.49 0.01 . 1 . . . . . . . . 4152 1 413 . 1 1 63 63 LEU HA H 1 4.18 0.01 . 1 . . . . . . . . 4152 1 414 . 1 1 63 63 LEU HB2 H 1 1.66 0.01 . 2 . . . . . . . . 4152 1 415 . 1 1 63 63 LEU HB3 H 1 1.56 0.01 . 2 . . . . . . . . 4152 1 416 . 1 1 63 63 LEU N N 15 122.2 0.1 . 1 . . . . . . . . 4152 1 417 . 1 1 63 63 LEU CA C 13 55.7 0.1 . 1 . . . . . . . . 4152 1 418 . 1 1 63 63 LEU CB C 13 39.5 0.1 . 1 . . . . . . . . 4152 1 419 . 1 1 64 64 VAL H H 1 7.92 0.01 . 1 . . . . . . . . 4152 1 420 . 1 1 64 64 VAL N N 15 118.5 0.1 . 1 . . . . . . . . 4152 1 421 . 1 1 64 64 VAL CA C 13 65.2 0.1 . 1 . . . . . . . . 4152 1 422 . 1 1 64 64 VAL CB C 13 29.0 0.1 . 1 . . . . . . . . 4152 1 423 . 1 1 65 65 ILE H H 1 8.36 0.01 . 1 . . . . . . . . 4152 1 424 . 1 1 65 65 ILE HA H 1 3.53 0.01 . 1 . . . . . . . . 4152 1 425 . 1 1 65 65 ILE HB H 1 2.02 0.01 . 1 . . . . . . . . 4152 1 426 . 1 1 65 65 ILE N N 15 118.9 0.1 . 1 . . . . . . . . 4152 1 427 . 1 1 65 65 ILE CA C 13 61.2 0.1 . 1 . . . . . . . . 4152 1 428 . 1 1 65 65 ILE CB C 13 33.8 0.1 . 1 . . . . . . . . 4152 1 429 . 1 1 66 66 ALA H H 1 7.63 0.01 . 1 . . . . . . . . 4152 1 430 . 1 1 66 66 ALA HA H 1 4.05 0.01 . 1 . . . . . . . . 4152 1 431 . 1 1 66 66 ALA HB1 H 1 1.56 0.01 . 1 . . . . . . . . 4152 1 432 . 1 1 66 66 ALA HB2 H 1 1.56 0.01 . 1 . . . . . . . . 4152 1 433 . 1 1 66 66 ALA HB3 H 1 1.56 0.01 . 1 . . . . . . . . 4152 1 434 . 1 1 66 66 ALA N N 15 122.6 0.1 . 1 . . . . . . . . 4152 1 435 . 1 1 66 66 ALA CA C 13 53.0 0.1 . 1 . . . . . . . . 4152 1 436 . 1 1 66 66 ALA CB C 13 16.4 0.1 . 1 . . . . . . . . 4152 1 437 . 1 1 67 67 LEU H H 1 8.26 0.01 . 1 . . . . . . . . 4152 1 438 . 1 1 67 67 LEU HA H 1 3.95 0.01 . 1 . . . . . . . . 4152 1 439 . 1 1 67 67 LEU N N 15 119.6 0.1 . 1 . . . . . . . . 4152 1 440 . 1 1 67 67 LEU CA C 13 55.6 0.1 . 1 . . . . . . . . 4152 1 441 . 1 1 67 67 LEU CB C 13 39.5 0.1 . 1 . . . . . . . . 4152 1 442 . 1 1 68 68 VAL H H 1 8.53 0.01 . 1 . . . . . . . . 4152 1 443 . 1 1 68 68 VAL HA H 1 3.40 0.01 . 1 . . . . . . . . 4152 1 444 . 1 1 68 68 VAL HB H 1 2.02 0.01 . 1 . . . . . . . . 4152 1 445 . 1 1 68 68 VAL HG11 H 1 0.64 0.01 . 2 . . . . . . . . 4152 1 446 . 1 1 68 68 VAL HG12 H 1 0.64 0.01 . 2 . . . . . . . . 4152 1 447 . 1 1 68 68 VAL HG13 H 1 0.64 0.01 . 2 . . . . . . . . 4152 1 448 . 1 1 68 68 VAL HG21 H 1 0.49 0.01 . 2 . . . . . . . . 4152 1 449 . 1 1 68 68 VAL HG22 H 1 0.49 0.01 . 2 . . . . . . . . 4152 1 450 . 1 1 68 68 VAL HG23 H 1 0.49 0.01 . 2 . . . . . . . . 4152 1 451 . 1 1 68 68 VAL N N 15 122.9 0.1 . 1 . . . . . . . . 4152 1 452 . 1 1 68 68 VAL CA C 13 64.7 0.1 . 1 . . . . . . . . 4152 1 453 . 1 1 68 68 VAL CB C 13 28.6 0.1 . 1 . . . . . . . . 4152 1 454 . 1 1 69 69 LYS H H 1 8.39 0.01 . 1 . . . . . . . . 4152 1 455 . 1 1 69 69 LYS HA H 1 3.65 0.01 . 1 . . . . . . . . 4152 1 456 . 1 1 69 69 LYS HB2 H 1 1.84 0.01 . 1 . . . . . . . . 4152 1 457 . 1 1 69 69 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 4152 1 458 . 1 1 69 69 LYS N N 15 119.0 0.1 . 1 . . . . . . . . 4152 1 459 . 1 1 69 69 LYS CA C 13 57.9 0.1 . 1 . . . . . . . . 4152 1 460 . 1 1 69 69 LYS CB C 13 29.8 0.1 . 1 . . . . . . . . 4152 1 461 . 1 1 70 70 GLU H H 1 7.52 0.01 . 1 . . . . . . . . 4152 1 462 . 1 1 70 70 GLU HA H 1 4.04 0.01 . 1 . . . . . . . . 4152 1 463 . 1 1 70 70 GLU HB2 H 1 1.98 0.01 . 2 . . . . . . . . 4152 1 464 . 1 1 70 70 GLU HB3 H 1 2.13 0.01 . 2 . . . . . . . . 4152 1 465 . 1 1 70 70 GLU N N 15 117.2 0.1 . 1 . . . . . . . . 4152 1 466 . 1 1 70 70 GLU CA C 13 56.5 0.1 . 1 . . . . . . . . 4152 1 467 . 1 1 70 70 GLU CB C 13 27.7 0.1 . 1 . . . . . . . . 4152 1 468 . 1 1 71 71 ARG H H 1 8.18 0.01 . 1 . . . . . . . . 4152 1 469 . 1 1 71 71 ARG HA H 1 4.28 0.01 . 1 . . . . . . . . 4152 1 470 . 1 1 71 71 ARG HB2 H 1 1.98 0.01 . 2 . . . . . . . . 4152 1 471 . 1 1 71 71 ARG N N 15 121.0 0.1 . 1 . . . . . . . . 4152 1 472 . 1 1 71 71 ARG CA C 13 55.0 0.1 . 1 . . . . . . . . 4152 1 473 . 1 1 72 72 ILE H H 1 8.27 0.01 . 1 . . . . . . . . 4152 1 474 . 1 1 72 72 ILE HA H 1 4.75 0.01 . 1 . . . . . . . . 4152 1 475 . 1 1 72 72 ILE HB H 1 1.99 0.01 . 1 . . . . . . . . 4152 1 476 . 1 1 72 72 ILE HG12 H 1 1.23 0.01 . 2 . . . . . . . . 4152 1 477 . 1 1 72 72 ILE HG13 H 1 1.39 0.01 . 2 . . . . . . . . 4152 1 478 . 1 1 72 72 ILE HG21 H 1 0.19 0.01 . 1 . . . . . . . . 4152 1 479 . 1 1 72 72 ILE HG22 H 1 0.19 0.01 . 1 . . . . . . . . 4152 1 480 . 1 1 72 72 ILE HG23 H 1 0.19 0.01 . 1 . . . . . . . . 4152 1 481 . 1 1 72 72 ILE HD11 H 1 0.70 0.01 . 1 . . . . . . . . 4152 1 482 . 1 1 72 72 ILE HD12 H 1 0.70 0.01 . 1 . . . . . . . . 4152 1 483 . 1 1 72 72 ILE HD13 H 1 0.70 0.01 . 1 . . . . . . . . 4152 1 484 . 1 1 72 72 ILE N N 15 111.1 0.1 . 1 . . . . . . . . 4152 1 485 . 1 1 72 72 ILE CA C 13 60.9 0.1 . 1 . . . . . . . . 4152 1 486 . 1 1 72 72 ILE CB C 13 34.7 0.1 . 1 . . . . . . . . 4152 1 487 . 1 1 73 73 ALA H H 1 7.10 0.01 . 1 . . . . . . . . 4152 1 488 . 1 1 73 73 ALA HA H 1 4.43 0.01 . 1 . . . . . . . . 4152 1 489 . 1 1 73 73 ALA HB1 H 1 1.53 0.01 . 1 . . . . . . . . 4152 1 490 . 1 1 73 73 ALA HB2 H 1 1.53 0.01 . 1 . . . . . . . . 4152 1 491 . 1 1 73 73 ALA HB3 H 1 1.53 0.01 . 1 . . . . . . . . 4152 1 492 . 1 1 73 73 ALA N N 15 122.3 0.1 . 1 . . . . . . . . 4152 1 493 . 1 1 73 73 ALA CA C 13 49.2 0.1 . 1 . . . . . . . . 4152 1 494 . 1 1 73 73 ALA CB C 13 17.2 0.1 . 1 . . . . . . . . 4152 1 495 . 1 1 74 74 GLN H H 1 7.31 0.01 . 1 . . . . . . . . 4152 1 496 . 1 1 74 74 GLN HA H 1 4.32 0.01 . 1 . . . . . . . . 4152 1 497 . 1 1 74 74 GLN N N 15 116.7 0.1 . 1 . . . . . . . . 4152 1 498 . 1 1 74 74 GLN CA C 13 53.7 0.1 . 1 . . . . . . . . 4152 1 499 . 1 1 74 74 GLN CB C 13 26.8 0.1 . 1 . . . . . . . . 4152 1 500 . 1 1 75 75 GLU H H 1 9.00 0.01 . 1 . . . . . . . . 4152 1 501 . 1 1 75 75 GLU HA H 1 4.07 0.01 . 1 . . . . . . . . 4152 1 502 . 1 1 75 75 GLU HB2 H 1 2.13 0.01 . 2 . . . . . . . . 4152 1 503 . 1 1 75 75 GLU HB3 H 1 2.08 0.01 . 2 . . . . . . . . 4152 1 504 . 1 1 75 75 GLU N N 15 122.0 0.1 . 1 . . . . . . . . 4152 1 505 . 1 1 75 75 GLU CA C 13 57.4 0.1 . 1 . . . . . . . . 4152 1 506 . 1 1 75 75 GLU CB C 13 27.3 0.1 . 1 . . . . . . . . 4152 1 507 . 1 1 76 76 ASP H H 1 8.53 0.01 . 1 . . . . . . . . 4152 1 508 . 1 1 76 76 ASP HA H 1 4.50 0.01 . 1 . . . . . . . . 4152 1 509 . 1 1 76 76 ASP HB2 H 1 2.97 0.01 . 2 . . . . . . . . 4152 1 510 . 1 1 76 76 ASP HB3 H 1 2.80 0.01 . 2 . . . . . . . . 4152 1 511 . 1 1 76 76 ASP N N 15 117.1 0.1 . 1 . . . . . . . . 4152 1 512 . 1 1 76 76 ASP CA C 13 52.8 0.1 . 1 . . . . . . . . 4152 1 513 . 1 1 76 76 ASP CB C 13 36.2 0.1 . 1 . . . . . . . . 4152 1 514 . 1 1 77 77 CYS H H 1 7.77 0.01 . 1 . . . . . . . . 4152 1 515 . 1 1 77 77 CYS HA H 1 5.34 0.01 . 1 . . . . . . . . 4152 1 516 . 1 1 77 77 CYS HB2 H 1 3.14 0.01 . 2 . . . . . . . . 4152 1 517 . 1 1 77 77 CYS HB3 H 1 3.33 0.01 . 2 . . . . . . . . 4152 1 518 . 1 1 77 77 CYS N N 15 118.0 0.1 . 1 . . . . . . . . 4152 1 519 . 1 1 77 77 CYS CA C 13 57.4 0.1 . 1 . . . . . . . . 4152 1 520 . 1 1 77 77 CYS CB C 13 25.5 0.1 . 1 . . . . . . . . 4152 1 521 . 1 1 78 78 ARG H H 1 7.73 0.01 . 1 . . . . . . . . 4152 1 522 . 1 1 78 78 ARG HA H 1 4.16 0.01 . 1 . . . . . . . . 4152 1 523 . 1 1 78 78 ARG HB2 H 1 1.90 0.01 . 2 . . . . . . . . 4152 1 524 . 1 1 78 78 ARG HB3 H 1 2.05 0.01 . 2 . . . . . . . . 4152 1 525 . 1 1 78 78 ARG N N 15 122.5 0.1 . 1 . . . . . . . . 4152 1 526 . 1 1 78 78 ARG CA C 13 57.2 0.1 . 1 . . . . . . . . 4152 1 527 . 1 1 78 78 ARG CB C 13 27.4 0.1 . 1 . . . . . . . . 4152 1 528 . 1 1 79 79 ASN H H 1 8.89 0.01 . 1 . . . . . . . . 4152 1 529 . 1 1 79 79 ASN HA H 1 4.98 0.01 . 1 . . . . . . . . 4152 1 530 . 1 1 79 79 ASN HB2 H 1 3.03 0.01 . 2 . . . . . . . . 4152 1 531 . 1 1 79 79 ASN HB3 H 1 2.75 0.01 . 2 . . . . . . . . 4152 1 532 . 1 1 79 79 ASN HD21 H 1 6.89 0.01 . 2 . . . . . . . . 4152 1 533 . 1 1 79 79 ASN HD22 H 1 7.72 0.01 . 2 . . . . . . . . 4152 1 534 . 1 1 79 79 ASN N N 15 115.0 0.1 . 1 . . . . . . . . 4152 1 535 . 1 1 79 79 ASN ND2 N 15 113.7 0.1 . 1 . . . . . . . . 4152 1 536 . 1 1 79 79 ASN CA C 13 50.4 0.1 . 1 . . . . . . . . 4152 1 537 . 1 1 79 79 ASN CB C 13 36.9 0.1 . 1 . . . . . . . . 4152 1 538 . 1 1 80 80 GLY H H 1 7.71 0.01 . 1 . . . . . . . . 4152 1 539 . 1 1 80 80 GLY HA2 H 1 4.96 0.01 . 2 . . . . . . . . 4152 1 540 . 1 1 80 80 GLY HA3 H 1 3.24 0.01 . 2 . . . . . . . . 4152 1 541 . 1 1 80 80 GLY N N 15 108.8 0.1 . 1 . . . . . . . . 4152 1 542 . 1 1 80 80 GLY CA C 13 41.7 0.1 . 1 . . . . . . . . 4152 1 543 . 1 1 81 81 PHE H H 1 7.49 0.01 . 1 . . . . . . . . 4152 1 544 . 1 1 81 81 PHE HA H 1 4.89 0.01 . 1 . . . . . . . . 4152 1 545 . 1 1 81 81 PHE HD1 H 1 7.03 0.01 . 1 . . . . . . . . 4152 1 546 . 1 1 81 81 PHE HD2 H 1 7.03 0.01 . 1 . . . . . . . . 4152 1 547 . 1 1 81 81 PHE N N 15 108.8 0.1 . 1 . . . . . . . . 4152 1 548 . 1 1 81 81 PHE CA C 13 54.8 0.1 . 1 . . . . . . . . 4152 1 549 . 1 1 81 81 PHE CB C 13 37.9 0.1 . 1 . . . . . . . . 4152 1 550 . 1 1 82 82 LEU H H 1 8.89 0.01 . 1 . . . . . . . . 4152 1 551 . 1 1 82 82 LEU HA H 1 5.36 0.01 . 1 . . . . . . . . 4152 1 552 . 1 1 82 82 LEU HB2 H 1 1.81 0.01 . 1 . . . . . . . . 4152 1 553 . 1 1 82 82 LEU HB3 H 1 1.81 0.01 . 1 . . . . . . . . 4152 1 554 . 1 1 82 82 LEU HG H 1 1.30 0.01 . 1 . . . . . . . . 4152 1 555 . 1 1 82 82 LEU HD11 H 1 0.85 0.01 . 2 . . . . . . . . 4152 1 556 . 1 1 82 82 LEU HD12 H 1 0.85 0.01 . 2 . . . . . . . . 4152 1 557 . 1 1 82 82 LEU HD13 H 1 0.85 0.01 . 2 . . . . . . . . 4152 1 558 . 1 1 82 82 LEU HD21 H 1 0.90 0.01 . 2 . . . . . . . . 4152 1 559 . 1 1 82 82 LEU HD22 H 1 0.90 0.01 . 2 . . . . . . . . 4152 1 560 . 1 1 82 82 LEU HD23 H 1 0.90 0.01 . 2 . . . . . . . . 4152 1 561 . 1 1 82 82 LEU N N 15 122.3 0.1 . 1 . . . . . . . . 4152 1 562 . 1 1 82 82 LEU CA C 13 51.2 0.1 . 1 . . . . . . . . 4152 1 563 . 1 1 82 82 LEU CB C 13 42.3 0.1 . 1 . . . . . . . . 4152 1 564 . 1 1 83 83 LEU H H 1 9.52 0.01 . 1 . . . . . . . . 4152 1 565 . 1 1 83 83 LEU HA H 1 5.00 0.01 . 1 . . . . . . . . 4152 1 566 . 1 1 83 83 LEU HB2 H 1 2.04 0.01 . 1 . . . . . . . . 4152 1 567 . 1 1 83 83 LEU HB3 H 1 2.04 0.01 . 1 . . . . . . . . 4152 1 568 . 1 1 83 83 LEU HG H 1 1.90 0.01 . 1 . . . . . . . . 4152 1 569 . 1 1 83 83 LEU HD11 H 1 0.98 0.01 . 2 . . . . . . . . 4152 1 570 . 1 1 83 83 LEU HD12 H 1 0.98 0.01 . 2 . . . . . . . . 4152 1 571 . 1 1 83 83 LEU HD13 H 1 0.98 0.01 . 2 . . . . . . . . 4152 1 572 . 1 1 83 83 LEU HD21 H 1 0.88 0.01 . 2 . . . . . . . . 4152 1 573 . 1 1 83 83 LEU HD22 H 1 0.88 0.01 . 2 . . . . . . . . 4152 1 574 . 1 1 83 83 LEU HD23 H 1 0.88 0.01 . 2 . . . . . . . . 4152 1 575 . 1 1 83 83 LEU N N 15 128.0 0.1 . 1 . . . . . . . . 4152 1 576 . 1 1 83 83 LEU CA C 13 52.2 0.1 . 1 . . . . . . . . 4152 1 577 . 1 1 83 83 LEU CB C 13 41.3 0.1 . 1 . . . . . . . . 4152 1 578 . 1 1 84 84 ASP H H 1 8.73 0.01 . 1 . . . . . . . . 4152 1 579 . 1 1 84 84 ASP HA H 1 5.10 0.01 . 1 . . . . . . . . 4152 1 580 . 1 1 84 84 ASP HB2 H 1 2.75 0.01 . 2 . . . . . . . . 4152 1 581 . 1 1 84 84 ASP HB3 H 1 2.40 0.01 . 2 . . . . . . . . 4152 1 582 . 1 1 84 84 ASP N N 15 124.5 0.1 . 1 . . . . . . . . 4152 1 583 . 1 1 84 84 ASP CA C 13 50.5 0.1 . 1 . . . . . . . . 4152 1 584 . 1 1 84 84 ASP CB C 13 41.3 0.1 . 1 . . . . . . . . 4152 1 585 . 1 1 85 85 GLY H H 1 8.95 0.01 . 1 . . . . . . . . 4152 1 586 . 1 1 85 85 GLY HA2 H 1 4.33 0.01 . 2 . . . . . . . . 4152 1 587 . 1 1 85 85 GLY HA3 H 1 3.95 0.01 . 2 . . . . . . . . 4152 1 588 . 1 1 85 85 GLY N N 15 113.2 0.1 . 1 . . . . . . . . 4152 1 589 . 1 1 85 85 GLY CA C 13 44.1 0.1 . 1 . . . . . . . . 4152 1 590 . 1 1 86 86 PHE H H 1 7.45 0.01 . 1 . . . . . . . . 4152 1 591 . 1 1 86 86 PHE HA H 1 4.40 0.01 . 1 . . . . . . . . 4152 1 592 . 1 1 86 86 PHE HB2 H 1 3.20 0.01 . 2 . . . . . . . . 4152 1 593 . 1 1 86 86 PHE HB3 H 1 2.64 0.01 . 2 . . . . . . . . 4152 1 594 . 1 1 86 86 PHE HD1 H 1 7.22 0.01 . 1 . . . . . . . . 4152 1 595 . 1 1 86 86 PHE HD2 H 1 7.22 0.01 . 1 . . . . . . . . 4152 1 596 . 1 1 86 86 PHE N N 15 120.2 0.1 . 1 . . . . . . . . 4152 1 597 . 1 1 86 86 PHE CA C 13 53.4 0.1 . 1 . . . . . . . . 4152 1 598 . 1 1 86 86 PHE CB C 13 40.9 0.1 . 1 . . . . . . . . 4152 1 599 . 1 1 87 87 PRO CA C 13 59.9 0.1 . 1 . . . . . . . . 4152 1 600 . 1 1 87 87 PRO CB C 13 33.4 0.1 . 1 . . . . . . . . 4152 1 601 . 1 1 88 88 ARG H H 1 8.66 0.01 . 1 . . . . . . . . 4152 1 602 . 1 1 88 88 ARG HA H 1 4.46 0.01 . 1 . . . . . . . . 4152 1 603 . 1 1 88 88 ARG HB2 H 1 1.95 0.01 . 2 . . . . . . . . 4152 1 604 . 1 1 88 88 ARG N N 15 114.5 0.1 . 1 . . . . . . . . 4152 1 605 . 1 1 88 88 ARG CA C 13 53.6 0.1 . 1 . . . . . . . . 4152 1 606 . 1 1 88 88 ARG CB C 13 29.9 0.1 . 1 . . . . . . . . 4152 1 607 . 1 1 89 89 THR H H 1 7.16 0.01 . 1 . . . . . . . . 4152 1 608 . 1 1 89 89 THR HA H 1 4.75 0.01 . 1 . . . . . . . . 4152 1 609 . 1 1 89 89 THR N N 15 106.9 0.1 . 1 . . . . . . . . 4152 1 610 . 1 1 89 89 THR CA C 13 55.6 0.1 . 1 . . . . . . . . 4152 1 611 . 1 1 89 89 THR CB C 13 70.1 0.1 . 1 . . . . . . . . 4152 1 612 . 1 1 90 90 ILE H H 1 9.08 0.01 . 1 . . . . . . . . 4152 1 613 . 1 1 90 90 ILE N N 15 121.6 0.1 . 1 . . . . . . . . 4152 1 614 . 1 1 90 90 ILE CA C 13 64.0 0.1 . 1 . . . . . . . . 4152 1 615 . 1 1 90 90 ILE CB C 13 32.6 0.1 . 1 . . . . . . . . 4152 1 616 . 1 1 91 91 PRO HA H 1 4.33 0.01 . 1 . . . . . . . . 4152 1 617 . 1 1 91 91 PRO CA C 13 63.8 0.1 . 1 . . . . . . . . 4152 1 618 . 1 1 91 91 PRO CB C 13 29.0 0.1 . 1 . . . . . . . . 4152 1 619 . 1 1 92 92 GLN H H 1 7.29 0.01 . 1 . . . . . . . . 4152 1 620 . 1 1 92 92 GLN HA H 1 3.83 0.01 . 1 . . . . . . . . 4152 1 621 . 1 1 92 92 GLN HB2 H 1 2.17 0.01 . 2 . . . . . . . . 4152 1 622 . 1 1 92 92 GLN HB3 H 1 2.10 0.01 . 2 . . . . . . . . 4152 1 623 . 1 1 92 92 GLN HG2 H 1 2.61 0.01 . 1 . . . . . . . . 4152 1 624 . 1 1 92 92 GLN HG3 H 1 2.61 0.01 . 1 . . . . . . . . 4152 1 625 . 1 1 92 92 GLN N N 15 116.5 0.1 . 1 . . . . . . . . 4152 1 626 . 1 1 92 92 GLN CA C 13 56.8 0.1 . 1 . . . . . . . . 4152 1 627 . 1 1 92 92 GLN CB C 13 25.8 0.1 . 1 . . . . . . . . 4152 1 628 . 1 1 93 93 ALA H H 1 7.79 0.01 . 1 . . . . . . . . 4152 1 629 . 1 1 93 93 ALA HA H 1 3.95 0.01 . 1 . . . . . . . . 4152 1 630 . 1 1 93 93 ALA HB1 H 1 0.92 0.01 . 1 . . . . . . . . 4152 1 631 . 1 1 93 93 ALA HB2 H 1 0.92 0.01 . 1 . . . . . . . . 4152 1 632 . 1 1 93 93 ALA HB3 H 1 0.92 0.01 . 1 . . . . . . . . 4152 1 633 . 1 1 93 93 ALA N N 15 124.6 0.1 . 1 . . . . . . . . 4152 1 634 . 1 1 93 93 ALA CA C 13 53.1 0.1 . 1 . . . . . . . . 4152 1 635 . 1 1 93 93 ALA CB C 13 16.8 0.1 . 1 . . . . . . . . 4152 1 636 . 1 1 94 94 ASP H H 1 8.85 0.01 . 1 . . . . . . . . 4152 1 637 . 1 1 94 94 ASP HA H 1 4.57 0.01 . 1 . . . . . . . . 4152 1 638 . 1 1 94 94 ASP HB2 H 1 2.60 0.01 . 2 . . . . . . . . 4152 1 639 . 1 1 94 94 ASP HB3 H 1 2.55 0.01 . 2 . . . . . . . . 4152 1 640 . 1 1 94 94 ASP N N 15 119.7 0.1 . 1 . . . . . . . . 4152 1 641 . 1 1 94 94 ASP CA C 13 54.6 0.1 . 1 . . . . . . . . 4152 1 642 . 1 1 94 94 ASP CB C 13 38.4 0.1 . 1 . . . . . . . . 4152 1 643 . 1 1 95 95 ALA H H 1 8.11 0.01 . 1 . . . . . . . . 4152 1 644 . 1 1 95 95 ALA HA H 1 4.24 0.01 . 1 . . . . . . . . 4152 1 645 . 1 1 95 95 ALA HB1 H 1 1.55 0.01 . 1 . . . . . . . . 4152 1 646 . 1 1 95 95 ALA HB2 H 1 1.55 0.01 . 1 . . . . . . . . 4152 1 647 . 1 1 95 95 ALA HB3 H 1 1.55 0.01 . 1 . . . . . . . . 4152 1 648 . 1 1 95 95 ALA N N 15 122.9 0.1 . 1 . . . . . . . . 4152 1 649 . 1 1 95 95 ALA CA C 13 52.6 0.1 . 1 . . . . . . . . 4152 1 650 . 1 1 95 95 ALA CB C 13 16.0 0.1 . 1 . . . . . . . . 4152 1 651 . 1 1 96 96 MET H H 1 8.20 0.01 . 1 . . . . . . . . 4152 1 652 . 1 1 96 96 MET HA H 1 4.37 0.01 . 1 . . . . . . . . 4152 1 653 . 1 1 96 96 MET N N 15 119.4 0.1 . 1 . . . . . . . . 4152 1 654 . 1 1 97 97 LYS H H 1 7.68 0.01 . 1 . . . . . . . . 4152 1 655 . 1 1 97 97 LYS HA H 1 4.07 0.01 . 1 . . . . . . . . 4152 1 656 . 1 1 97 97 LYS HB2 H 1 2.08 0.01 . 1 . . . . . . . . 4152 1 657 . 1 1 97 97 LYS HB3 H 1 2.08 0.01 . 1 . . . . . . . . 4152 1 658 . 1 1 97 97 LYS N N 15 120.8 0.1 . 1 . . . . . . . . 4152 1 659 . 1 1 97 97 LYS CA C 13 57.5 0.1 . 1 . . . . . . . . 4152 1 660 . 1 1 97 97 LYS CB C 13 30.0 0.1 . 1 . . . . . . . . 4152 1 661 . 1 1 98 98 GLU H H 1 8.48 0.01 . 1 . . . . . . . . 4152 1 662 . 1 1 98 98 GLU HA H 1 4.04 0.01 . 1 . . . . . . . . 4152 1 663 . 1 1 98 98 GLU HB2 H 1 2.14 0.01 . 1 . . . . . . . . 4152 1 664 . 1 1 98 98 GLU HB3 H 1 2.14 0.01 . 1 . . . . . . . . 4152 1 665 . 1 1 98 98 GLU N N 15 121.4 0.1 . 1 . . . . . . . . 4152 1 666 . 1 1 98 98 GLU CA C 13 56.5 0.1 . 1 . . . . . . . . 4152 1 667 . 1 1 98 98 GLU CB C 13 27.0 0.1 . 1 . . . . . . . . 4152 1 668 . 1 1 99 99 ALA H H 1 7.61 0.01 . 1 . . . . . . . . 4152 1 669 . 1 1 99 99 ALA HA H 1 4.43 0.01 . 1 . . . . . . . . 4152 1 670 . 1 1 99 99 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . 4152 1 671 . 1 1 99 99 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . 4152 1 672 . 1 1 99 99 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . 4152 1 673 . 1 1 99 99 ALA N N 15 118.9 0.1 . 1 . . . . . . . . 4152 1 674 . 1 1 99 99 ALA CA C 13 49.4 0.1 . 1 . . . . . . . . 4152 1 675 . 1 1 99 99 ALA CB C 13 17.7 0.1 . 1 . . . . . . . . 4152 1 676 . 1 1 100 100 GLY H H 1 7.93 0.01 . 1 . . . . . . . . 4152 1 677 . 1 1 100 100 GLY HA2 H 1 4.13 0.01 . 2 . . . . . . . . 4152 1 678 . 1 1 100 100 GLY HA3 H 1 3.85 0.01 . 2 . . . . . . . . 4152 1 679 . 1 1 100 100 GLY N N 15 106.7 0.1 . 1 . . . . . . . . 4152 1 680 . 1 1 100 100 GLY CA C 13 43.5 0.1 . 1 . . . . . . . . 4152 1 681 . 1 1 101 101 ILE H H 1 8.11 0.01 . 1 . . . . . . . . 4152 1 682 . 1 1 101 101 ILE HA H 1 4.07 0.01 . 1 . . . . . . . . 4152 1 683 . 1 1 101 101 ILE HB H 1 1.89 0.01 . 1 . . . . . . . . 4152 1 684 . 1 1 101 101 ILE N N 15 122.0 0.1 . 1 . . . . . . . . 4152 1 685 . 1 1 101 101 ILE CA C 13 58.4 0.1 . 1 . . . . . . . . 4152 1 686 . 1 1 101 101 ILE CB C 13 34.7 0.1 . 1 . . . . . . . . 4152 1 687 . 1 1 102 102 ASN H H 1 7.94 0.01 . 1 . . . . . . . . 4152 1 688 . 1 1 102 102 ASN HA H 1 4.82 0.01 . 1 . . . . . . . . 4152 1 689 . 1 1 102 102 ASN HB2 H 1 2.66 0.01 . 2 . . . . . . . . 4152 1 690 . 1 1 102 102 ASN HB3 H 1 2.80 0.01 . 2 . . . . . . . . 4152 1 691 . 1 1 102 102 ASN HD21 H 1 7.49 0.01 . 2 . . . . . . . . 4152 1 692 . 1 1 102 102 ASN HD22 H 1 6.90 0.01 . 2 . . . . . . . . 4152 1 693 . 1 1 102 102 ASN N N 15 123.9 0.1 . 1 . . . . . . . . 4152 1 694 . 1 1 102 102 ASN ND2 N 15 114.0 0.1 . 1 . . . . . . . . 4152 1 695 . 1 1 102 102 ASN CA C 13 50.2 0.1 . 1 . . . . . . . . 4152 1 696 . 1 1 102 102 ASN CB C 13 37.8 0.1 . 1 . . . . . . . . 4152 1 697 . 1 1 103 103 VAL H H 1 8.38 0.01 . 1 . . . . . . . . 4152 1 698 . 1 1 103 103 VAL HA H 1 4.27 0.01 . 1 . . . . . . . . 4152 1 699 . 1 1 103 103 VAL HB H 1 1.91 0.01 . 1 . . . . . . . . 4152 1 700 . 1 1 103 103 VAL HG11 H 1 0.78 0.01 . 1 . . . . . . . . 4152 1 701 . 1 1 103 103 VAL HG12 H 1 0.78 0.01 . 1 . . . . . . . . 4152 1 702 . 1 1 103 103 VAL HG13 H 1 0.78 0.01 . 1 . . . . . . . . 4152 1 703 . 1 1 103 103 VAL HG21 H 1 0.82 0.01 . 1 . . . . . . . . 4152 1 704 . 1 1 103 103 VAL HG22 H 1 0.82 0.01 . 1 . . . . . . . . 4152 1 705 . 1 1 103 103 VAL HG23 H 1 0.82 0.01 . 1 . . . . . . . . 4152 1 706 . 1 1 103 103 VAL N N 15 113.2 0.1 . 1 . . . . . . . . 4152 1 707 . 1 1 103 103 VAL CA C 13 58.0 0.1 . 1 . . . . . . . . 4152 1 708 . 1 1 103 103 VAL CB C 13 32.1 0.1 . 1 . . . . . . . . 4152 1 709 . 1 1 104 104 ASP H H 1 8.57 0.01 . 1 . . . . . . . . 4152 1 710 . 1 1 104 104 ASP HA H 1 4.56 0.01 . 1 . . . . . . . . 4152 1 711 . 1 1 104 104 ASP HB2 H 1 2.85 0.01 . 2 . . . . . . . . 4152 1 712 . 1 1 104 104 ASP HB3 H 1 2.57 0.01 . 2 . . . . . . . . 4152 1 713 . 1 1 104 104 ASP N N 15 124.2 0.1 . 1 . . . . . . . . 4152 1 714 . 1 1 104 104 ASP CA C 13 54.4 0.1 . 1 . . . . . . . . 4152 1 715 . 1 1 104 104 ASP CB C 13 41.8 0.1 . 1 . . . . . . . . 4152 1 716 . 1 1 105 105 TYR H H 1 7.72 0.01 . 1 . . . . . . . . 4152 1 717 . 1 1 105 105 TYR HA H 1 5.20 0.01 . 1 . . . . . . . . 4152 1 718 . 1 1 105 105 TYR HB2 H 1 2.61 0.01 . 2 . . . . . . . . 4152 1 719 . 1 1 105 105 TYR HB3 H 1 2.47 0.01 . 2 . . . . . . . . 4152 1 720 . 1 1 105 105 TYR HD1 H 1 6.69 0.01 . 1 . . . . . . . . 4152 1 721 . 1 1 105 105 TYR HD2 H 1 6.69 0.01 . 1 . . . . . . . . 4152 1 722 . 1 1 105 105 TYR HE1 H 1 6.69 0.01 . 1 . . . . . . . . 4152 1 723 . 1 1 105 105 TYR HE2 H 1 6.69 0.01 . 1 . . . . . . . . 4152 1 724 . 1 1 105 105 TYR N N 15 114.8 0.1 . 1 . . . . . . . . 4152 1 725 . 1 1 105 105 TYR CA C 13 54.5 0.1 . 1 . . . . . . . . 4152 1 726 . 1 1 105 105 TYR CB C 13 42.0 0.1 . 1 . . . . . . . . 4152 1 727 . 1 1 106 106 VAL H H 1 8.97 0.01 . 1 . . . . . . . . 4152 1 728 . 1 1 106 106 VAL HA H 1 4.47 0.01 . 1 . . . . . . . . 4152 1 729 . 1 1 106 106 VAL HB H 1 1.89 0.01 . 1 . . . . . . . . 4152 1 730 . 1 1 106 106 VAL HG11 H 1 0.60 0.01 . 1 . . . . . . . . 4152 1 731 . 1 1 106 106 VAL HG12 H 1 0.60 0.01 . 1 . . . . . . . . 4152 1 732 . 1 1 106 106 VAL HG13 H 1 0.60 0.01 . 1 . . . . . . . . 4152 1 733 . 1 1 106 106 VAL HG21 H 1 0.38 0.01 . 1 . . . . . . . . 4152 1 734 . 1 1 106 106 VAL HG22 H 1 0.38 0.01 . 1 . . . . . . . . 4152 1 735 . 1 1 106 106 VAL HG23 H 1 0.38 0.01 . 1 . . . . . . . . 4152 1 736 . 1 1 106 106 VAL N N 15 123.3 0.1 . 1 . . . . . . . . 4152 1 737 . 1 1 106 106 VAL CA C 13 60.0 0.1 . 1 . . . . . . . . 4152 1 738 . 1 1 106 106 VAL CB C 13 30.4 0.1 . 1 . . . . . . . . 4152 1 739 . 1 1 107 107 LEU H H 1 8.95 0.01 . 1 . . . . . . . . 4152 1 740 . 1 1 107 107 LEU HA H 1 5.24 0.01 . 1 . . . . . . . . 4152 1 741 . 1 1 107 107 LEU HB2 H 1 1.84 0.01 . 2 . . . . . . . . 4152 1 742 . 1 1 107 107 LEU HB3 H 1 1.02 0.01 . 2 . . . . . . . . 4152 1 743 . 1 1 107 107 LEU HG H 1 1.02 0.01 . 1 . . . . . . . . 4152 1 744 . 1 1 107 107 LEU HD11 H 1 0.73 0.01 . 1 . . . . . . . . 4152 1 745 . 1 1 107 107 LEU HD12 H 1 0.73 0.01 . 1 . . . . . . . . 4152 1 746 . 1 1 107 107 LEU HD13 H 1 0.73 0.01 . 1 . . . . . . . . 4152 1 747 . 1 1 107 107 LEU HD21 H 1 0.73 0.01 . 1 . . . . . . . . 4152 1 748 . 1 1 107 107 LEU HD22 H 1 0.73 0.01 . 1 . . . . . . . . 4152 1 749 . 1 1 107 107 LEU HD23 H 1 0.73 0.01 . 1 . . . . . . . . 4152 1 750 . 1 1 107 107 LEU N N 15 124.8 0.1 . 1 . . . . . . . . 4152 1 751 . 1 1 107 107 LEU CA C 13 49.6 0.1 . 1 . . . . . . . . 4152 1 752 . 1 1 107 107 LEU CB C 13 42.6 0.1 . 1 . . . . . . . . 4152 1 753 . 1 1 108 108 GLU H H 1 8.77 0.01 . 1 . . . . . . . . 4152 1 754 . 1 1 108 108 GLU HA H 1 4.96 0.01 . 1 . . . . . . . . 4152 1 755 . 1 1 108 108 GLU N N 15 124.5 0.1 . 1 . . . . . . . . 4152 1 756 . 1 1 108 108 GLU CA C 13 51.6 0.1 . 1 . . . . . . . . 4152 1 757 . 1 1 109 109 PHE H H 1 9.34 0.01 . 1 . . . . . . . . 4152 1 758 . 1 1 109 109 PHE HA H 1 4.64 0.01 . 1 . . . . . . . . 4152 1 759 . 1 1 109 109 PHE HB2 H 1 3.29 0.01 . 2 . . . . . . . . 4152 1 760 . 1 1 109 109 PHE N N 15 130.4 0.1 . 1 . . . . . . . . 4152 1 761 . 1 1 109 109 PHE CA C 13 55.3 0.1 . 1 . . . . . . . . 4152 1 762 . 1 1 109 109 PHE CB C 13 37.3 0.1 . 1 . . . . . . . . 4152 1 763 . 1 1 110 110 ASP H H 1 8.82 0.01 . 1 . . . . . . . . 4152 1 764 . 1 1 110 110 ASP HA H 1 4.73 0.01 . 1 . . . . . . . . 4152 1 765 . 1 1 110 110 ASP HB2 H 1 2.90 0.01 . 2 . . . . . . . . 4152 1 766 . 1 1 110 110 ASP HB3 H 1 2.26 0.01 . 2 . . . . . . . . 4152 1 767 . 1 1 110 110 ASP N N 15 128.2 0.1 . 1 . . . . . . . . 4152 1 768 . 1 1 110 110 ASP CA C 13 52.3 0.1 . 1 . . . . . . . . 4152 1 769 . 1 1 110 110 ASP CB C 13 41.7 0.1 . 1 . . . . . . . . 4152 1 770 . 1 1 111 111 VAL H H 1 7.45 0.01 . 1 . . . . . . . . 4152 1 771 . 1 1 111 111 VAL HA H 1 4.37 0.01 . 1 . . . . . . . . 4152 1 772 . 1 1 111 111 VAL HB H 1 1.91 0.01 . 1 . . . . . . . . 4152 1 773 . 1 1 111 111 VAL HG11 H 1 0.87 0.01 . 1 . . . . . . . . 4152 1 774 . 1 1 111 111 VAL HG12 H 1 0.87 0.01 . 1 . . . . . . . . 4152 1 775 . 1 1 111 111 VAL HG13 H 1 0.87 0.01 . 1 . . . . . . . . 4152 1 776 . 1 1 111 111 VAL HG21 H 1 0.87 0.01 . 1 . . . . . . . . 4152 1 777 . 1 1 111 111 VAL HG22 H 1 0.87 0.01 . 1 . . . . . . . . 4152 1 778 . 1 1 111 111 VAL HG23 H 1 0.87 0.01 . 1 . . . . . . . . 4152 1 779 . 1 1 111 111 VAL N N 15 126.0 0.1 . 1 . . . . . . . . 4152 1 780 . 1 1 111 111 VAL CA C 13 56.9 0.1 . 1 . . . . . . . . 4152 1 781 . 1 1 111 111 VAL CB C 13 34.3 0.1 . 1 . . . . . . . . 4152 1 782 . 1 1 112 112 PRO HA H 1 4.59 0.01 . 1 . . . . . . . . 4152 1 783 . 1 1 112 112 PRO HB2 H 1 2.05 0.01 . 2 . . . . . . . . 4152 1 784 . 1 1 112 112 PRO CA C 13 60.9 0.1 . 1 . . . . . . . . 4152 1 785 . 1 1 112 112 PRO CB C 13 30.4 0.1 . 1 . . . . . . . . 4152 1 786 . 1 1 113 113 ASP H H 1 8.84 0.01 . 1 . . . . . . . . 4152 1 787 . 1 1 113 113 ASP HA H 1 4.30 0.01 . 1 . . . . . . . . 4152 1 788 . 1 1 113 113 ASP HB2 H 1 2.78 0.01 . 2 . . . . . . . . 4152 1 789 . 1 1 113 113 ASP N N 15 124.0 0.1 . 1 . . . . . . . . 4152 1 790 . 1 1 113 113 ASP CA C 13 55.7 0.1 . 1 . . . . . . . . 4152 1 791 . 1 1 113 113 ASP CB C 13 38.4 0.1 . 1 . . . . . . . . 4152 1 792 . 1 1 114 114 GLU H H 1 9.04 0.01 . 1 . . . . . . . . 4152 1 793 . 1 1 114 114 GLU HA H 1 3.92 0.01 . 1 . . . . . . . . 4152 1 794 . 1 1 114 114 GLU HB2 H 1 1.99 0.01 . 2 . . . . . . . . 4152 1 795 . 1 1 114 114 GLU HB3 H 1 2.03 0.01 . 2 . . . . . . . . 4152 1 796 . 1 1 114 114 GLU N N 15 114.7 0.1 . 1 . . . . . . . . 4152 1 797 . 1 1 114 114 GLU CA C 13 57.1 0.1 . 1 . . . . . . . . 4152 1 798 . 1 1 114 114 GLU CB C 13 26.8 0.1 . 1 . . . . . . . . 4152 1 799 . 1 1 115 115 LEU H H 1 7.18 0.01 . 1 . . . . . . . . 4152 1 800 . 1 1 115 115 LEU HA H 1 4.36 0.01 . 1 . . . . . . . . 4152 1 801 . 1 1 115 115 LEU HB2 H 1 1.66 0.01 . 1 . . . . . . . . 4152 1 802 . 1 1 115 115 LEU HB3 H 1 1.66 0.01 . 1 . . . . . . . . 4152 1 803 . 1 1 115 115 LEU HG H 1 1.62 0.01 . 1 . . . . . . . . 4152 1 804 . 1 1 115 115 LEU HD11 H 1 0.92 0.01 . 2 . . . . . . . . 4152 1 805 . 1 1 115 115 LEU HD12 H 1 0.92 0.01 . 2 . . . . . . . . 4152 1 806 . 1 1 115 115 LEU HD13 H 1 0.92 0.01 . 2 . . . . . . . . 4152 1 807 . 1 1 115 115 LEU HD21 H 1 0.98 0.01 . 2 . . . . . . . . 4152 1 808 . 1 1 115 115 LEU HD22 H 1 0.98 0.01 . 2 . . . . . . . . 4152 1 809 . 1 1 115 115 LEU HD23 H 1 0.98 0.01 . 2 . . . . . . . . 4152 1 810 . 1 1 115 115 LEU N N 15 119.2 0.1 . 1 . . . . . . . . 4152 1 811 . 1 1 115 115 LEU CA C 13 54.8 0.1 . 1 . . . . . . . . 4152 1 812 . 1 1 115 115 LEU CB C 13 39.5 0.1 . 1 . . . . . . . . 4152 1 813 . 1 1 116 116 ILE H H 1 7.46 0.01 . 1 . . . . . . . . 4152 1 814 . 1 1 116 116 ILE HA H 1 3.44 0.01 . 1 . . . . . . . . 4152 1 815 . 1 1 116 116 ILE HB H 1 2.10 0.01 . 1 . . . . . . . . 4152 1 816 . 1 1 116 116 ILE N N 15 121.0 0.1 . 1 . . . . . . . . 4152 1 817 . 1 1 116 116 ILE CA C 13 63.8 0.1 . 1 . . . . . . . . 4152 1 818 . 1 1 116 116 ILE CB C 13 35.3 0.1 . 1 . . . . . . . . 4152 1 819 . 1 1 117 117 VAL H H 1 8.28 0.01 . 1 . . . . . . . . 4152 1 820 . 1 1 117 117 VAL HA H 1 3.44 0.01 . 1 . . . . . . . . 4152 1 821 . 1 1 117 117 VAL HB H 1 2.10 0.01 . 1 . . . . . . . . 4152 1 822 . 1 1 117 117 VAL HG11 H 1 0.95 0.01 . 2 . . . . . . . . 4152 1 823 . 1 1 117 117 VAL HG12 H 1 0.95 0.01 . 2 . . . . . . . . 4152 1 824 . 1 1 117 117 VAL HG13 H 1 0.95 0.01 . 2 . . . . . . . . 4152 1 825 . 1 1 117 117 VAL HG21 H 1 0.98 0.01 . 2 . . . . . . . . 4152 1 826 . 1 1 117 117 VAL HG22 H 1 0.98 0.01 . 2 . . . . . . . . 4152 1 827 . 1 1 117 117 VAL HG23 H 1 0.98 0.01 . 2 . . . . . . . . 4152 1 828 . 1 1 117 117 VAL N N 15 117.3 0.1 . 1 . . . . . . . . 4152 1 829 . 1 1 117 117 VAL CA C 13 65.5 0.1 . 1 . . . . . . . . 4152 1 830 . 1 1 117 117 VAL CB C 13 29.3 0.1 . 1 . . . . . . . . 4152 1 831 . 1 1 118 118 ASP H H 1 7.71 0.01 . 1 . . . . . . . . 4152 1 832 . 1 1 118 118 ASP HA H 1 4.53 0.01 . 1 . . . . . . . . 4152 1 833 . 1 1 118 118 ASP HB2 H 1 2.97 0.01 . 2 . . . . . . . . 4152 1 834 . 1 1 118 118 ASP HB3 H 1 2.78 0.01 . 2 . . . . . . . . 4152 1 835 . 1 1 118 118 ASP N N 15 117.2 0.1 . 1 . . . . . . . . 4152 1 836 . 1 1 118 118 ASP CA C 13 55.0 0.1 . 1 . . . . . . . . 4152 1 837 . 1 1 118 118 ASP CB C 13 39.7 0.1 . 1 . . . . . . . . 4152 1 838 . 1 1 119 119 ARG H H 1 8.18 0.01 . 1 . . . . . . . . 4152 1 839 . 1 1 119 119 ARG HA H 1 4.13 0.01 . 1 . . . . . . . . 4152 1 840 . 1 1 119 119 ARG HB2 H 1 2.03 0.01 . 1 . . . . . . . . 4152 1 841 . 1 1 119 119 ARG HB3 H 1 2.03 0.01 . 1 . . . . . . . . 4152 1 842 . 1 1 119 119 ARG N N 15 117.4 0.1 . 1 . . . . . . . . 4152 1 843 . 1 1 119 119 ARG CA C 13 57.7 0.1 . 1 . . . . . . . . 4152 1 844 . 1 1 119 119 ARG CB C 13 28.5 0.1 . 1 . . . . . . . . 4152 1 845 . 1 1 120 120 ILE H H 1 8.10 0.01 . 1 . . . . . . . . 4152 1 846 . 1 1 120 120 ILE HA H 1 3.99 0.01 . 1 . . . . . . . . 4152 1 847 . 1 1 120 120 ILE HB H 1 1.88 0.01 . 1 . . . . . . . . 4152 1 848 . 1 1 120 120 ILE N N 15 118.9 0.1 . 1 . . . . . . . . 4152 1 849 . 1 1 120 120 ILE CA C 13 61.6 0.1 . 1 . . . . . . . . 4152 1 850 . 1 1 120 120 ILE CB C 13 36.5 0.1 . 1 . . . . . . . . 4152 1 851 . 1 1 121 121 VAL H H 1 8.93 0.01 . 1 . . . . . . . . 4152 1 852 . 1 1 121 121 VAL HA H 1 4.37 0.01 . 1 . . . . . . . . 4152 1 853 . 1 1 121 121 VAL HB H 1 2.42 0.01 . 1 . . . . . . . . 4152 1 854 . 1 1 121 121 VAL HG11 H 1 1.12 0.01 . 1 . . . . . . . . 4152 1 855 . 1 1 121 121 VAL HG12 H 1 1.12 0.01 . 1 . . . . . . . . 4152 1 856 . 1 1 121 121 VAL HG13 H 1 1.12 0.01 . 1 . . . . . . . . 4152 1 857 . 1 1 121 121 VAL HG21 H 1 1.12 0.01 . 1 . . . . . . . . 4152 1 858 . 1 1 121 121 VAL HG22 H 1 1.12 0.01 . 1 . . . . . . . . 4152 1 859 . 1 1 121 121 VAL HG23 H 1 1.12 0.01 . 1 . . . . . . . . 4152 1 860 . 1 1 121 121 VAL N N 15 115.4 0.1 . 1 . . . . . . . . 4152 1 861 . 1 1 121 121 VAL CA C 13 61.8 0.1 . 1 . . . . . . . . 4152 1 862 . 1 1 121 121 VAL CB C 13 29.0 0.1 . 1 . . . . . . . . 4152 1 863 . 1 1 122 122 GLY H H 1 7.44 0.01 . 1 . . . . . . . . 4152 1 864 . 1 1 122 122 GLY HA2 H 1 3.90 0.01 . 2 . . . . . . . . 4152 1 865 . 1 1 122 122 GLY HA3 H 1 3.10 0.01 . 2 . . . . . . . . 4152 1 866 . 1 1 122 122 GLY N N 15 106.1 0.1 . 1 . . . . . . . . 4152 1 867 . 1 1 122 122 GLY CA C 13 42.3 0.1 . 1 . . . . . . . . 4152 1 868 . 1 1 123 123 ARG H H 1 7.68 0.01 . 1 . . . . . . . . 4152 1 869 . 1 1 123 123 ARG HA H 1 4.90 0.01 . 1 . . . . . . . . 4152 1 870 . 1 1 123 123 ARG HB2 H 1 2.13 0.01 . 1 . . . . . . . . 4152 1 871 . 1 1 123 123 ARG HB3 H 1 2.13 0.01 . 1 . . . . . . . . 4152 1 872 . 1 1 123 123 ARG N N 15 120.9 0.1 . 1 . . . . . . . . 4152 1 873 . 1 1 123 123 ARG CA C 13 55.2 0.1 . 1 . . . . . . . . 4152 1 874 . 1 1 123 123 ARG CB C 13 29.5 0.1 . 1 . . . . . . . . 4152 1 875 . 1 1 124 124 ARG H H 1 8.89 0.01 . 1 . . . . . . . . 4152 1 876 . 1 1 124 124 ARG HA H 1 5.08 0.01 . 1 . . . . . . . . 4152 1 877 . 1 1 124 124 ARG N N 15 125.6 0.1 . 1 . . . . . . . . 4152 1 878 . 1 1 124 124 ARG CA C 13 50.9 0.1 . 1 . . . . . . . . 4152 1 879 . 1 1 124 124 ARG CB C 13 32.8 0.1 . 1 . . . . . . . . 4152 1 880 . 1 1 125 125 VAL H H 1 9.32 0.01 . 1 . . . . . . . . 4152 1 881 . 1 1 125 125 VAL HA H 1 5.53 0.01 . 1 . . . . . . . . 4152 1 882 . 1 1 125 125 VAL HB H 1 1.95 0.01 . 1 . . . . . . . . 4152 1 883 . 1 1 125 125 VAL HG11 H 1 0.89 0.01 . 2 . . . . . . . . 4152 1 884 . 1 1 125 125 VAL HG12 H 1 0.89 0.01 . 2 . . . . . . . . 4152 1 885 . 1 1 125 125 VAL HG13 H 1 0.89 0.01 . 2 . . . . . . . . 4152 1 886 . 1 1 125 125 VAL HG21 H 1 0.87 0.01 . 2 . . . . . . . . 4152 1 887 . 1 1 125 125 VAL HG22 H 1 0.87 0.01 . 2 . . . . . . . . 4152 1 888 . 1 1 125 125 VAL HG23 H 1 0.87 0.01 . 2 . . . . . . . . 4152 1 889 . 1 1 125 125 VAL N N 15 118.2 0.1 . 1 . . . . . . . . 4152 1 890 . 1 1 125 125 VAL CA C 13 57.0 0.1 . 1 . . . . . . . . 4152 1 891 . 1 1 125 125 VAL CB C 13 34.0 0.1 . 1 . . . . . . . . 4152 1 892 . 1 1 126 126 HIS H H 1 9.23 0.01 . 1 . . . . . . . . 4152 1 893 . 1 1 126 126 HIS HA H 1 5.05 0.01 . 1 . . . . . . . . 4152 1 894 . 1 1 126 126 HIS HB2 H 1 3.47 0.01 . 2 . . . . . . . . 4152 1 895 . 1 1 126 126 HIS HB3 H 1 2.84 0.01 . 2 . . . . . . . . 4152 1 896 . 1 1 126 126 HIS HD2 H 1 6.97 0.01 . 1 . . . . . . . . 4152 1 897 . 1 1 126 126 HIS HE1 H 1 7.89 0.01 . 1 . . . . . . . . 4152 1 898 . 1 1 126 126 HIS N N 15 126.8 0.1 . 1 . . . . . . . . 4152 1 899 . 1 1 126 126 HIS CA C 13 53.0 0.1 . 1 . . . . . . . . 4152 1 900 . 1 1 126 126 HIS CB C 13 29.0 0.1 . 1 . . . . . . . . 4152 1 901 . 1 1 127 127 ALA H H 1 9.05 0.01 . 1 . . . . . . . . 4152 1 902 . 1 1 127 127 ALA HA H 1 3.97 0.01 . 1 . . . . . . . . 4152 1 903 . 1 1 127 127 ALA HB1 H 1 1.36 0.01 . 1 . . . . . . . . 4152 1 904 . 1 1 127 127 ALA HB2 H 1 1.36 0.01 . 1 . . . . . . . . 4152 1 905 . 1 1 127 127 ALA HB3 H 1 1.36 0.01 . 1 . . . . . . . . 4152 1 906 . 1 1 127 127 ALA N N 15 129.8 0.1 . 1 . . . . . . . . 4152 1 907 . 1 1 127 127 ALA CA C 13 53.8 0.1 . 1 . . . . . . . . 4152 1 908 . 1 1 127 127 ALA CB C 13 14.3 0.1 . 1 . . . . . . . . 4152 1 909 . 1 1 128 128 PRO HA H 1 4.21 0.01 . 1 . . . . . . . . 4152 1 910 . 1 1 128 128 PRO CA C 13 63.6 0.1 . 1 . . . . . . . . 4152 1 911 . 1 1 128 128 PRO CB C 13 29.2 0.1 . 1 . . . . . . . . 4152 1 912 . 1 1 129 129 SER H H 1 6.84 0.01 . 1 . . . . . . . . 4152 1 913 . 1 1 129 129 SER HA H 1 4.60 0.01 . 1 . . . . . . . . 4152 1 914 . 1 1 129 129 SER N N 15 107.7 0.1 . 1 . . . . . . . . 4152 1 915 . 1 1 129 129 SER CA C 13 56.4 0.1 . 1 . . . . . . . . 4152 1 916 . 1 1 129 129 SER CB C 13 63.0 0.1 . 1 . . . . . . . . 4152 1 917 . 1 1 130 130 GLY H H 1 8.61 0.01 . 1 . . . . . . . . 4152 1 918 . 1 1 130 130 GLY HA2 H 1 4.28 0.01 . 2 . . . . . . . . 4152 1 919 . 1 1 130 130 GLY HA3 H 1 3.53 0.01 . 2 . . . . . . . . 4152 1 920 . 1 1 130 130 GLY N N 15 113.2 0.1 . 1 . . . . . . . . 4152 1 921 . 1 1 130 130 GLY CA C 13 43.0 0.1 . 1 . . . . . . . . 4152 1 922 . 1 1 131 131 ARG H H 1 8.47 0.01 . 1 . . . . . . . . 4152 1 923 . 1 1 131 131 ARG HA H 1 4.05 0.01 . 1 . . . . . . . . 4152 1 924 . 1 1 131 131 ARG N N 15 122.1 0.1 . 1 . . . . . . . . 4152 1 925 . 1 1 131 131 ARG CA C 13 57.0 0.1 . 1 . . . . . . . . 4152 1 926 . 1 1 131 131 ARG CB C 13 30.6 0.1 . 1 . . . . . . . . 4152 1 927 . 1 1 132 132 VAL H H 1 7.92 0.01 . 1 . . . . . . . . 4152 1 928 . 1 1 132 132 VAL HA H 1 4.84 0.01 . 1 . . . . . . . . 4152 1 929 . 1 1 132 132 VAL HB H 1 1.94 0.01 . 1 . . . . . . . . 4152 1 930 . 1 1 132 132 VAL HG11 H 1 1.06 0.01 . 2 . . . . . . . . 4152 1 931 . 1 1 132 132 VAL HG12 H 1 1.06 0.01 . 2 . . . . . . . . 4152 1 932 . 1 1 132 132 VAL HG13 H 1 1.06 0.01 . 2 . . . . . . . . 4152 1 933 . 1 1 132 132 VAL HG21 H 1 0.90 0.01 . 2 . . . . . . . . 4152 1 934 . 1 1 132 132 VAL HG22 H 1 0.90 0.01 . 2 . . . . . . . . 4152 1 935 . 1 1 132 132 VAL HG23 H 1 0.90 0.01 . 2 . . . . . . . . 4152 1 936 . 1 1 132 132 VAL N N 15 120.3 0.1 . 1 . . . . . . . . 4152 1 937 . 1 1 132 132 VAL CA C 13 58.8 0.1 . 1 . . . . . . . . 4152 1 938 . 1 1 132 132 VAL CB C 13 32.1 0.1 . 1 . . . . . . . . 4152 1 939 . 1 1 133 133 TYR H H 1 9.29 0.01 . 1 . . . . . . . . 4152 1 940 . 1 1 133 133 TYR HA H 1 4.94 0.01 . 1 . . . . . . . . 4152 1 941 . 1 1 133 133 TYR HB2 H 1 3.27 0.01 . 2 . . . . . . . . 4152 1 942 . 1 1 133 133 TYR HB3 H 1 2.41 0.01 . 2 . . . . . . . . 4152 1 943 . 1 1 133 133 TYR HD1 H 1 7.00 0.01 . 1 . . . . . . . . 4152 1 944 . 1 1 133 133 TYR HD2 H 1 7.00 0.01 . 1 . . . . . . . . 4152 1 945 . 1 1 133 133 TYR HE1 H 1 6.90 0.01 . 1 . . . . . . . . 4152 1 946 . 1 1 133 133 TYR HE2 H 1 6.90 0.01 . 1 . . . . . . . . 4152 1 947 . 1 1 133 133 TYR N N 15 124.5 0.1 . 1 . . . . . . . . 4152 1 948 . 1 1 133 133 TYR CA C 13 53.6 0.1 . 1 . . . . . . . . 4152 1 949 . 1 1 133 133 TYR CB C 13 40.0 0.1 . 1 . . . . . . . . 4152 1 950 . 1 1 134 134 HIS H H 1 8.42 0.01 . 1 . . . . . . . . 4152 1 951 . 1 1 134 134 HIS HA H 1 5.18 0.01 . 1 . . . . . . . . 4152 1 952 . 1 1 134 134 HIS HB2 H 1 2.93 0.01 . 1 . . . . . . . . 4152 1 953 . 1 1 134 134 HIS HB3 H 1 2.93 0.01 . 1 . . . . . . . . 4152 1 954 . 1 1 134 134 HIS HD2 H 1 7.52 0.01 . 1 . . . . . . . . 4152 1 955 . 1 1 134 134 HIS N N 15 120.9 0.1 . 1 . . . . . . . . 4152 1 956 . 1 1 134 134 HIS CA C 13 54.7 0.1 . 1 . . . . . . . . 4152 1 957 . 1 1 134 134 HIS CB C 13 32.0 0.1 . 1 . . . . . . . . 4152 1 958 . 1 1 135 135 VAL H H 1 8.19 0.01 . 1 . . . . . . . . 4152 1 959 . 1 1 135 135 VAL HA H 1 3.79 0.01 . 1 . . . . . . . . 4152 1 960 . 1 1 135 135 VAL N N 15 120.8 0.1 . 1 . . . . . . . . 4152 1 961 . 1 1 135 135 VAL CA C 13 63.6 0.1 . 1 . . . . . . . . 4152 1 962 . 1 1 136 136 LYS H H 1 9.55 0.01 . 1 . . . . . . . . 4152 1 963 . 1 1 136 136 LYS HA H 1 4.57 0.01 . 1 . . . . . . . . 4152 1 964 . 1 1 136 136 LYS N N 15 120.1 0.1 . 1 . . . . . . . . 4152 1 965 . 1 1 136 136 LYS CA C 13 54.8 0.1 . 1 . . . . . . . . 4152 1 966 . 1 1 136 136 LYS CB C 13 33.0 0.1 . 1 . . . . . . . . 4152 1 967 . 1 1 137 137 PHE HD1 H 1 7.29 0.01 . 1 . . . . . . . . 4152 1 968 . 1 1 137 137 PHE HD2 H 1 7.29 0.01 . 1 . . . . . . . . 4152 1 969 . 1 1 137 137 PHE HE1 H 1 7.12 0.01 . 1 . . . . . . . . 4152 1 970 . 1 1 137 137 PHE HE2 H 1 7.12 0.01 . 1 . . . . . . . . 4152 1 971 . 1 1 137 137 PHE HZ H 1 6.58 0.01 . 1 . . . . . . . . 4152 1 972 . 1 1 140 140 PRO CA C 13 59.8 0.1 . 1 . . . . . . . . 4152 1 973 . 1 1 141 141 LYS H H 1 10.12 0.01 . 1 . . . . . . . . 4152 1 974 . 1 1 141 141 LYS HA H 1 3.92 0.01 . 1 . . . . . . . . 4152 1 975 . 1 1 141 141 LYS HB2 H 1 1.73 0.01 . 2 . . . . . . . . 4152 1 976 . 1 1 141 141 LYS HB3 H 1 1.70 0.01 . 2 . . . . . . . . 4152 1 977 . 1 1 141 141 LYS N N 15 124.1 0.1 . 1 . . . . . . . . 4152 1 978 . 1 1 141 141 LYS CA C 13 56.8 0.1 . 1 . . . . . . . . 4152 1 979 . 1 1 141 141 LYS CB C 13 30.2 0.1 . 1 . . . . . . . . 4152 1 980 . 1 1 142 142 VAL H H 1 8.87 0.01 . 1 . . . . . . . . 4152 1 981 . 1 1 142 142 VAL HA H 1 3.92 0.01 . 1 . . . . . . . . 4152 1 982 . 1 1 142 142 VAL HB H 1 1.69 0.01 . 1 . . . . . . . . 4152 1 983 . 1 1 142 142 VAL HG11 H 1 0.89 0.01 . 2 . . . . . . . . 4152 1 984 . 1 1 142 142 VAL HG12 H 1 0.89 0.01 . 2 . . . . . . . . 4152 1 985 . 1 1 142 142 VAL HG13 H 1 0.89 0.01 . 2 . . . . . . . . 4152 1 986 . 1 1 142 142 VAL HG21 H 1 0.82 0.01 . 2 . . . . . . . . 4152 1 987 . 1 1 142 142 VAL HG22 H 1 0.82 0.01 . 2 . . . . . . . . 4152 1 988 . 1 1 142 142 VAL HG23 H 1 0.82 0.01 . 2 . . . . . . . . 4152 1 989 . 1 1 142 142 VAL N N 15 120.5 0.1 . 1 . . . . . . . . 4152 1 990 . 1 1 142 142 VAL CA C 13 59.0 0.1 . 1 . . . . . . . . 4152 1 991 . 1 1 142 142 VAL CB C 13 31.0 0.1 . 1 . . . . . . . . 4152 1 992 . 1 1 143 143 GLU H H 1 8.15 0.01 . 1 . . . . . . . . 4152 1 993 . 1 1 143 143 GLU HA H 1 3.77 0.01 . 1 . . . . . . . . 4152 1 994 . 1 1 143 143 GLU HB2 H 1 1.96 0.01 . 2 . . . . . . . . 4152 1 995 . 1 1 143 143 GLU N N 15 125.5 0.1 . 1 . . . . . . . . 4152 1 996 . 1 1 143 143 GLU CA C 13 55.2 0.1 . 1 . . . . . . . . 4152 1 997 . 1 1 143 143 GLU CB C 13 27.4 0.1 . 1 . . . . . . . . 4152 1 998 . 1 1 144 144 GLY H H 1 8.81 0.01 . 1 . . . . . . . . 4152 1 999 . 1 1 144 144 GLY HA2 H 1 4.16 0.01 . 2 . . . . . . . . 4152 1 1000 . 1 1 144 144 GLY HA3 H 1 3.52 0.01 . 2 . . . . . . . . 4152 1 1001 . 1 1 144 144 GLY N N 15 111.6 0.1 . 1 . . . . . . . . 4152 1 1002 . 1 1 144 144 GLY CA C 13 43.6 0.1 . 1 . . . . . . . . 4152 1 1003 . 1 1 145 145 LYS H H 1 8.01 0.01 . 1 . . . . . . . . 4152 1 1004 . 1 1 145 145 LYS HA H 1 4.92 0.01 . 1 . . . . . . . . 4152 1 1005 . 1 1 145 145 LYS N N 15 119.2 0.1 . 1 . . . . . . . . 4152 1 1006 . 1 1 145 145 LYS CA C 13 51.3 0.1 . 1 . . . . . . . . 4152 1 1007 . 1 1 145 145 LYS CB C 13 33.8 0.1 . 1 . . . . . . . . 4152 1 1008 . 1 1 146 146 ASP H H 1 9.05 0.01 . 1 . . . . . . . . 4152 1 1009 . 1 1 146 146 ASP HA H 1 4.11 0.01 . 1 . . . . . . . . 4152 1 1010 . 1 1 146 146 ASP HB2 H 1 2.26 0.01 . 2 . . . . . . . . 4152 1 1011 . 1 1 146 146 ASP N N 15 119.9 0.1 . 1 . . . . . . . . 4152 1 1012 . 1 1 146 146 ASP CA C 13 51.4 0.1 . 1 . . . . . . . . 4152 1 1013 . 1 1 146 146 ASP CB C 13 41.5 0.1 . 1 . . . . . . . . 4152 1 1014 . 1 1 147 147 ASP H H 1 7.93 0.01 . 1 . . . . . . . . 4152 1 1015 . 1 1 147 147 ASP HA H 1 4.32 0.01 . 1 . . . . . . . . 4152 1 1016 . 1 1 147 147 ASP HB2 H 1 2.78 0.01 . 2 . . . . . . . . 4152 1 1017 . 1 1 147 147 ASP HB3 H 1 2.87 0.01 . 2 . . . . . . . . 4152 1 1018 . 1 1 147 147 ASP N N 15 127.0 0.1 . 1 . . . . . . . . 4152 1 1019 . 1 1 147 147 ASP CA C 13 54.9 0.1 . 1 . . . . . . . . 4152 1 1020 . 1 1 147 147 ASP CB C 13 38.4 0.1 . 1 . . . . . . . . 4152 1 1021 . 1 1 148 148 VAL H H 1 6.42 0.01 . 1 . . . . . . . . 4152 1 1022 . 1 1 148 148 VAL HA H 1 3.80 0.01 . 1 . . . . . . . . 4152 1 1023 . 1 1 148 148 VAL HB H 1 2.08 0.01 . 1 . . . . . . . . 4152 1 1024 . 1 1 148 148 VAL HG11 H 1 0.92 0.01 . 2 . . . . . . . . 4152 1 1025 . 1 1 148 148 VAL HG12 H 1 0.92 0.01 . 2 . . . . . . . . 4152 1 1026 . 1 1 148 148 VAL HG13 H 1 0.92 0.01 . 2 . . . . . . . . 4152 1 1027 . 1 1 148 148 VAL HG21 H 1 0.94 0.01 . 2 . . . . . . . . 4152 1 1028 . 1 1 148 148 VAL HG22 H 1 0.94 0.01 . 2 . . . . . . . . 4152 1 1029 . 1 1 148 148 VAL HG23 H 1 0.94 0.01 . 2 . . . . . . . . 4152 1 1030 . 1 1 148 148 VAL N N 15 115.0 0.1 . 1 . . . . . . . . 4152 1 1031 . 1 1 148 148 VAL CA C 13 63.0 0.1 . 1 . . . . . . . . 4152 1 1032 . 1 1 148 148 VAL CB C 13 30.2 0.1 . 1 . . . . . . . . 4152 1 1033 . 1 1 149 149 THR H H 1 7.53 0.01 . 1 . . . . . . . . 4152 1 1034 . 1 1 149 149 THR HA H 1 4.46 0.01 . 1 . . . . . . . . 4152 1 1035 . 1 1 149 149 THR HB H 1 4.39 0.01 . 1 . . . . . . . . 4152 1 1036 . 1 1 149 149 THR N N 15 105.7 0.1 . 1 . . . . . . . . 4152 1 1037 . 1 1 149 149 THR CA C 13 59.8 0.1 . 1 . . . . . . . . 4152 1 1038 . 1 1 149 149 THR CB C 13 70.8 0.1 . 1 . . . . . . . . 4152 1 1039 . 1 1 150 150 GLY H H 1 7.90 0.01 . 1 . . . . . . . . 4152 1 1040 . 1 1 150 150 GLY HA2 H 1 4.21 0.01 . 2 . . . . . . . . 4152 1 1041 . 1 1 150 150 GLY HA3 H 1 3.74 0.01 . 2 . . . . . . . . 4152 1 1042 . 1 1 150 150 GLY N N 15 111.2 0.1 . 1 . . . . . . . . 4152 1 1043 . 1 1 150 150 GLY CA C 13 43.9 0.1 . 1 . . . . . . . . 4152 1 1044 . 1 1 151 151 GLU H H 1 7.71 0.01 . 1 . . . . . . . . 4152 1 1045 . 1 1 151 151 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 4152 1 1046 . 1 1 151 151 GLU HB2 H 1 2.03 0.01 . 2 . . . . . . . . 4152 1 1047 . 1 1 151 151 GLU HB3 H 1 1.89 0.01 . 2 . . . . . . . . 4152 1 1048 . 1 1 151 151 GLU N N 15 118.6 0.1 . 1 . . . . . . . . 4152 1 1049 . 1 1 151 151 GLU CA C 13 53.3 0.1 . 1 . . . . . . . . 4152 1 1050 . 1 1 151 151 GLU CB C 13 28.7 0.1 . 1 . . . . . . . . 4152 1 1051 . 1 1 152 152 GLU H H 1 8.69 0.01 . 1 . . . . . . . . 4152 1 1052 . 1 1 152 152 GLU HA H 1 4.43 0.01 . 1 . . . . . . . . 4152 1 1053 . 1 1 152 152 GLU HB2 H 1 2.07 0.01 . 2 . . . . . . . . 4152 1 1054 . 1 1 152 152 GLU HB3 H 1 2.13 0.01 . 2 . . . . . . . . 4152 1 1055 . 1 1 152 152 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 4152 1 1056 . 1 1 152 152 GLU CA C 13 55.3 0.1 . 1 . . . . . . . . 4152 1 1057 . 1 1 152 152 GLU CB C 13 28.5 0.1 . 1 . . . . . . . . 4152 1 1058 . 1 1 153 153 LEU H H 1 7.92 0.01 . 1 . . . . . . . . 4152 1 1059 . 1 1 153 153 LEU HA H 1 4.80 0.01 . 1 . . . . . . . . 4152 1 1060 . 1 1 153 153 LEU HB2 H 1 1.54 0.01 . 1 . . . . . . . . 4152 1 1061 . 1 1 153 153 LEU HB3 H 1 1.54 0.01 . 1 . . . . . . . . 4152 1 1062 . 1 1 153 153 LEU HG H 1 1.25 0.01 . 1 . . . . . . . . 4152 1 1063 . 1 1 153 153 LEU HD11 H 1 0.27 0.01 . 2 . . . . . . . . 4152 1 1064 . 1 1 153 153 LEU HD12 H 1 0.27 0.01 . 2 . . . . . . . . 4152 1 1065 . 1 1 153 153 LEU HD13 H 1 0.27 0.01 . 2 . . . . . . . . 4152 1 1066 . 1 1 153 153 LEU HD21 H 1 0.77 0.01 . 2 . . . . . . . . 4152 1 1067 . 1 1 153 153 LEU HD22 H 1 0.77 0.01 . 2 . . . . . . . . 4152 1 1068 . 1 1 153 153 LEU HD23 H 1 0.77 0.01 . 2 . . . . . . . . 4152 1 1069 . 1 1 153 153 LEU N N 15 120.8 0.1 . 1 . . . . . . . . 4152 1 1070 . 1 1 153 153 LEU CA C 13 50.8 0.1 . 1 . . . . . . . . 4152 1 1071 . 1 1 153 153 LEU CB C 13 41.0 0.1 . 1 . . . . . . . . 4152 1 1072 . 1 1 154 154 THR H H 1 9.34 0.01 . 1 . . . . . . . . 4152 1 1073 . 1 1 154 154 THR HA H 1 4.84 0.01 . 1 . . . . . . . . 4152 1 1074 . 1 1 154 154 THR HB H 1 4.28 0.01 . 1 . . . . . . . . 4152 1 1075 . 1 1 154 154 THR HG21 H 1 1.23 0.01 . 1 . . . . . . . . 4152 1 1076 . 1 1 154 154 THR HG22 H 1 1.23 0.01 . 1 . . . . . . . . 4152 1 1077 . 1 1 154 154 THR HG23 H 1 1.23 0.01 . 1 . . . . . . . . 4152 1 1078 . 1 1 154 154 THR N N 15 114.6 0.1 . 1 . . . . . . . . 4152 1 1079 . 1 1 154 154 THR CA C 13 57.7 0.1 . 1 . . . . . . . . 4152 1 1080 . 1 1 154 154 THR CB C 13 69.5 0.1 . 1 . . . . . . . . 4152 1 1081 . 1 1 155 155 THR H H 1 8.37 0.01 . 1 . . . . . . . . 4152 1 1082 . 1 1 155 155 THR N N 15 116.0 0.1 . 1 . . . . . . . . 4152 1 1083 . 1 1 155 155 THR CA C 13 58.1 0.1 . 1 . . . . . . . . 4152 1 1084 . 1 1 155 155 THR CB C 13 68.1 0.1 . 1 . . . . . . . . 4152 1 1085 . 1 1 156 156 ARG H H 1 9.80 0.01 . 1 . . . . . . . . 4152 1 1086 . 1 1 156 156 ARG N N 15 127.0 0.1 . 1 . . . . . . . . 4152 1 1087 . 1 1 156 156 ARG CA C 13 53.6 0.1 . 1 . . . . . . . . 4152 1 1088 . 1 1 157 157 LYS HA H 1 4.05 0.01 . 1 . . . . . . . . 4152 1 1089 . 1 1 157 157 LYS HB2 H 1 1.85 0.01 . 2 . . . . . . . . 4152 1 1090 . 1 1 157 157 LYS HB3 H 1 1.89 0.01 . 2 . . . . . . . . 4152 1 1091 . 1 1 157 157 LYS CA C 13 57.2 0.1 . 1 . . . . . . . . 4152 1 1092 . 1 1 157 157 LYS CB C 13 29.6 0.1 . 1 . . . . . . . . 4152 1 1093 . 1 1 158 158 ASP H H 1 8.38 0.01 . 1 . . . . . . . . 4152 1 1094 . 1 1 158 158 ASP HA H 1 4.47 0.01 . 1 . . . . . . . . 4152 1 1095 . 1 1 158 158 ASP HB2 H 1 2.73 0.01 . 2 . . . . . . . . 4152 1 1096 . 1 1 158 158 ASP HB3 H 1 2.38 0.01 . 2 . . . . . . . . 4152 1 1097 . 1 1 158 158 ASP N N 15 114.5 0.1 . 1 . . . . . . . . 4152 1 1098 . 1 1 158 158 ASP CA C 13 53.0 0.1 . 1 . . . . . . . . 4152 1 1099 . 1 1 158 158 ASP CB C 13 38.4 0.1 . 1 . . . . . . . . 4152 1 1100 . 1 1 159 159 ASP H H 1 7.45 0.01 . 1 . . . . . . . . 4152 1 1101 . 1 1 159 159 ASP HA H 1 4.66 0.01 . 1 . . . . . . . . 4152 1 1102 . 1 1 159 159 ASP HB2 H 1 2.78 0.01 . 2 . . . . . . . . 4152 1 1103 . 1 1 159 159 ASP HB3 H 1 3.16 0.01 . 2 . . . . . . . . 4152 1 1104 . 1 1 159 159 ASP N N 15 117.0 0.1 . 1 . . . . . . . . 4152 1 1105 . 1 1 159 159 ASP CA C 13 50.9 0.1 . 1 . . . . . . . . 4152 1 1106 . 1 1 159 159 ASP CB C 13 38.6 0.1 . 1 . . . . . . . . 4152 1 1107 . 1 1 160 160 GLN H H 1 7.10 0.01 . 1 . . . . . . . . 4152 1 1108 . 1 1 160 160 GLN HA H 1 4.35 0.01 . 1 . . . . . . . . 4152 1 1109 . 1 1 160 160 GLN HB2 H 1 2.16 0.01 . 2 . . . . . . . . 4152 1 1110 . 1 1 160 160 GLN HB3 H 1 2.37 0.01 . 2 . . . . . . . . 4152 1 1111 . 1 1 160 160 GLN N N 15 117.4 0.1 . 1 . . . . . . . . 4152 1 1112 . 1 1 160 160 GLN CA C 13 53.5 0.1 . 1 . . . . . . . . 4152 1 1113 . 1 1 160 160 GLN CB C 13 27.0 0.1 . 1 . . . . . . . . 4152 1 1114 . 1 1 161 161 GLU H H 1 9.21 0.01 . 1 . . . . . . . . 4152 1 1115 . 1 1 161 161 GLU HA H 1 3.69 0.01 . 1 . . . . . . . . 4152 1 1116 . 1 1 161 161 GLU HB2 H 1 2.07 0.01 . 1 . . . . . . . . 4152 1 1117 . 1 1 161 161 GLU HB3 H 1 2.07 0.01 . 1 . . . . . . . . 4152 1 1118 . 1 1 161 161 GLU N N 15 124.4 0.1 . 1 . . . . . . . . 4152 1 1119 . 1 1 161 161 GLU CA C 13 59.1 0.1 . 1 . . . . . . . . 4152 1 1120 . 1 1 161 161 GLU CB C 13 27.5 0.1 . 1 . . . . . . . . 4152 1 1121 . 1 1 162 162 GLU H H 1 9.26 0.01 . 1 . . . . . . . . 4152 1 1122 . 1 1 162 162 GLU HA H 1 4.05 0.01 . 1 . . . . . . . . 4152 1 1123 . 1 1 162 162 GLU HB2 H 1 2.03 0.01 . 2 . . . . . . . . 4152 1 1124 . 1 1 162 162 GLU HB3 H 1 2.09 0.01 . 2 . . . . . . . . 4152 1 1125 . 1 1 162 162 GLU N N 15 116.6 0.1 . 1 . . . . . . . . 4152 1 1126 . 1 1 162 162 GLU CA C 13 57.7 0.1 . 1 . . . . . . . . 4152 1 1127 . 1 1 162 162 GLU CB C 13 26.7 0.1 . 1 . . . . . . . . 4152 1 1128 . 1 1 163 163 THR H H 1 7.25 0.01 . 1 . . . . . . . . 4152 1 1129 . 1 1 163 163 THR HA H 1 4.04 0.01 . 1 . . . . . . . . 4152 1 1130 . 1 1 163 163 THR HB H 1 4.39 0.01 . 1 . . . . . . . . 4152 1 1131 . 1 1 163 163 THR HG21 H 1 1.36 0.01 . 1 . . . . . . . . 4152 1 1132 . 1 1 163 163 THR HG22 H 1 1.36 0.01 . 1 . . . . . . . . 4152 1 1133 . 1 1 163 163 THR HG23 H 1 1.36 0.01 . 1 . . . . . . . . 4152 1 1134 . 1 1 163 163 THR N N 15 116.2 0.1 . 1 . . . . . . . . 4152 1 1135 . 1 1 163 163 THR CA C 13 63.8 0.1 . 1 . . . . . . . . 4152 1 1136 . 1 1 163 163 THR CB C 13 66.2 0.1 . 1 . . . . . . . . 4152 1 1137 . 1 1 164 164 VAL H H 1 8.28 0.01 . 1 . . . . . . . . 4152 1 1138 . 1 1 164 164 VAL HA H 1 3.56 0.01 . 1 . . . . . . . . 4152 1 1139 . 1 1 164 164 VAL HB H 1 2.13 0.01 . 1 . . . . . . . . 4152 1 1140 . 1 1 164 164 VAL HG11 H 1 1.08 0.01 . 2 . . . . . . . . 4152 1 1141 . 1 1 164 164 VAL HG12 H 1 1.08 0.01 . 2 . . . . . . . . 4152 1 1142 . 1 1 164 164 VAL HG13 H 1 1.08 0.01 . 2 . . . . . . . . 4152 1 1143 . 1 1 164 164 VAL HG21 H 1 0.98 0.01 . 2 . . . . . . . . 4152 1 1144 . 1 1 164 164 VAL HG22 H 1 0.98 0.01 . 2 . . . . . . . . 4152 1 1145 . 1 1 164 164 VAL HG23 H 1 0.98 0.01 . 2 . . . . . . . . 4152 1 1146 . 1 1 164 164 VAL N N 15 123.0 0.1 . 1 . . . . . . . . 4152 1 1147 . 1 1 164 164 VAL CA C 13 64.4 0.1 . 1 . . . . . . . . 4152 1 1148 . 1 1 164 164 VAL CB C 13 29.8 0.1 . 1 . . . . . . . . 4152 1 1149 . 1 1 165 165 ARG H H 1 8.74 0.01 . 1 . . . . . . . . 4152 1 1150 . 1 1 165 165 ARG HA H 1 4.00 0.01 . 1 . . . . . . . . 4152 1 1151 . 1 1 165 165 ARG N N 15 117.0 0.1 . 1 . . . . . . . . 4152 1 1152 . 1 1 165 165 ARG CA C 13 58.4 0.1 . 1 . . . . . . . . 4152 1 1153 . 1 1 165 165 ARG CB C 13 27.9 0.1 . 1 . . . . . . . . 4152 1 1154 . 1 1 166 166 LYS H H 1 7.74 0.01 . 1 . . . . . . . . 4152 1 1155 . 1 1 166 166 LYS HA H 1 4.18 0.01 . 1 . . . . . . . . 4152 1 1156 . 1 1 166 166 LYS HB2 H 1 2.03 0.01 . 1 . . . . . . . . 4152 1 1157 . 1 1 166 166 LYS HB3 H 1 2.03 0.01 . 1 . . . . . . . . 4152 1 1158 . 1 1 166 166 LYS N N 15 119.0 0.1 . 1 . . . . . . . . 4152 1 1159 . 1 1 166 166 LYS CA C 13 57.4 0.1 . 1 . . . . . . . . 4152 1 1160 . 1 1 166 166 LYS CB C 13 30.3 0.1 . 1 . . . . . . . . 4152 1 1161 . 1 1 167 167 ARG H H 1 8.08 0.01 . 1 . . . . . . . . 4152 1 1162 . 1 1 167 167 ARG N N 15 119.0 0.1 . 1 . . . . . . . . 4152 1 1163 . 1 1 167 167 ARG CA C 13 57.0 0.1 . 1 . . . . . . . . 4152 1 1164 . 1 1 167 167 ARG CB C 13 27.7 0.1 . 1 . . . . . . . . 4152 1 1165 . 1 1 168 168 LEU H H 1 8.25 0.01 . 1 . . . . . . . . 4152 1 1166 . 1 1 168 168 LEU N N 15 120.0 0.1 . 1 . . . . . . . . 4152 1 1167 . 1 1 168 168 LEU CA C 13 55.6 0.1 . 1 . . . . . . . . 4152 1 1168 . 1 1 168 168 LEU CB C 13 39.0 0.1 . 1 . . . . . . . . 4152 1 1169 . 1 1 169 169 VAL H H 1 8.25 0.01 . 1 . . . . . . . . 4152 1 1170 . 1 1 169 169 VAL HA H 1 3.91 0.01 . 1 . . . . . . . . 4152 1 1171 . 1 1 169 169 VAL HB H 1 2.31 0.01 . 1 . . . . . . . . 4152 1 1172 . 1 1 169 169 VAL N N 15 121.5 0.1 . 1 . . . . . . . . 4152 1 1173 . 1 1 169 169 VAL CA C 13 65.2 0.1 . 1 . . . . . . . . 4152 1 1174 . 1 1 169 169 VAL CB C 13 29.5 0.1 . 1 . . . . . . . . 4152 1 1175 . 1 1 170 170 GLU H H 1 7.98 0.01 . 1 . . . . . . . . 4152 1 1176 . 1 1 170 170 GLU HA H 1 4.12 0.01 . 1 . . . . . . . . 4152 1 1177 . 1 1 170 170 GLU HB2 H 1 2.21 0.01 . 2 . . . . . . . . 4152 1 1178 . 1 1 170 170 GLU HB3 H 1 2.17 0.01 . 2 . . . . . . . . 4152 1 1179 . 1 1 170 170 GLU N N 15 119.5 0.1 . 1 . . . . . . . . 4152 1 1180 . 1 1 170 170 GLU CA C 13 56.9 0.1 . 1 . . . . . . . . 4152 1 1181 . 1 1 170 170 GLU CB C 13 27.4 0.1 . 1 . . . . . . . . 4152 1 1182 . 1 1 171 171 TYR H H 1 8.28 0.01 . 1 . . . . . . . . 4152 1 1183 . 1 1 171 171 TYR HA H 1 4.32 0.01 . 1 . . . . . . . . 4152 1 1184 . 1 1 171 171 TYR HD1 H 1 6.65 0.01 . 1 . . . . . . . . 4152 1 1185 . 1 1 171 171 TYR HD2 H 1 6.65 0.01 . 1 . . . . . . . . 4152 1 1186 . 1 1 171 171 TYR HE1 H 1 6.76 0.01 . 1 . . . . . . . . 4152 1 1187 . 1 1 171 171 TYR HE2 H 1 6.76 0.01 . 1 . . . . . . . . 4152 1 1188 . 1 1 171 171 TYR N N 15 120.0 0.1 . 1 . . . . . . . . 4152 1 1189 . 1 1 171 171 TYR CA C 13 59.6 0.1 . 1 . . . . . . . . 4152 1 1190 . 1 1 171 171 TYR CB C 13 35.8 0.1 . 1 . . . . . . . . 4152 1 1191 . 1 1 172 172 HIS H H 1 8.82 0.01 . 1 . . . . . . . . 4152 1 1192 . 1 1 172 172 HIS HA H 1 4.27 0.01 . 1 . . . . . . . . 4152 1 1193 . 1 1 172 172 HIS HB2 H 1 3.40 0.01 . 2 . . . . . . . . 4152 1 1194 . 1 1 172 172 HIS HD2 H 1 7.54 0.01 . 1 . . . . . . . . 4152 1 1195 . 1 1 172 172 HIS HE1 H 1 8.68 0.01 . 1 . . . . . . . . 4152 1 1196 . 1 1 172 172 HIS N N 15 120.4 0.1 . 1 . . . . . . . . 4152 1 1197 . 1 1 172 172 HIS CA C 13 57.2 0.1 . 1 . . . . . . . . 4152 1 1198 . 1 1 172 172 HIS CB C 13 26.0 0.1 . 1 . . . . . . . . 4152 1 1199 . 1 1 173 173 GLN H H 1 8.48 0.01 . 1 . . . . . . . . 4152 1 1200 . 1 1 173 173 GLN N N 15 118.6 0.1 . 1 . . . . . . . . 4152 1 1201 . 1 1 173 173 GLN CA C 13 56.6 0.1 . 1 . . . . . . . . 4152 1 1202 . 1 1 173 173 GLN CB C 13 26.2 0.1 . 1 . . . . . . . . 4152 1 1203 . 1 1 175 175 THR H H 1 8.18 0.01 . 1 . . . . . . . . 4152 1 1204 . 1 1 175 175 THR HA H 1 4.09 0.01 . 1 . . . . . . . . 4152 1 1205 . 1 1 175 175 THR HB H 1 3.67 0.01 . 1 . . . . . . . . 4152 1 1206 . 1 1 175 175 THR N N 15 113.2 0.1 . 1 . . . . . . . . 4152 1 1207 . 1 1 175 175 THR CA C 13 62.8 0.1 . 1 . . . . . . . . 4152 1 1208 . 1 1 175 175 THR CB C 13 67.0 0.1 . 1 . . . . . . . . 4152 1 1209 . 1 1 176 176 ALA H H 1 8.33 0.01 . 1 . . . . . . . . 4152 1 1210 . 1 1 176 176 ALA N N 15 126.0 0.1 . 1 . . . . . . . . 4152 1 1211 . 1 1 176 176 ALA CA C 13 54.9 0.1 . 1 . . . . . . . . 4152 1 1212 . 1 1 176 176 ALA CB C 13 13.8 0.1 . 1 . . . . . . . . 4152 1 1213 . 1 1 177 177 PRO HA H 1 4.44 0.01 . 1 . . . . . . . . 4152 1 1214 . 1 1 178 178 LEU H H 1 7.03 0.01 . 1 . . . . . . . . 4152 1 1215 . 1 1 178 178 LEU HA H 1 3.95 0.01 . 1 . . . . . . . . 4152 1 1216 . 1 1 178 178 LEU HB2 H 1 1.80 0.01 . 1 . . . . . . . . 4152 1 1217 . 1 1 178 178 LEU HB3 H 1 1.80 0.01 . 1 . . . . . . . . 4152 1 1218 . 1 1 178 178 LEU N N 15 119.0 0.1 . 1 . . . . . . . . 4152 1 1219 . 1 1 178 178 LEU CA C 13 54.7 0.1 . 1 . . . . . . . . 4152 1 1220 . 1 1 178 178 LEU CB C 13 40.2 0.1 . 1 . . . . . . . . 4152 1 1221 . 1 1 179 179 ILE H H 1 8.43 0.01 . 1 . . . . . . . . 4152 1 1222 . 1 1 179 179 ILE HA H 1 3.67 0.01 . 1 . . . . . . . . 4152 1 1223 . 1 1 179 179 ILE HB H 1 1.99 0.01 . 1 . . . . . . . . 4152 1 1224 . 1 1 179 179 ILE N N 15 121.0 0.1 . 1 . . . . . . . . 4152 1 1225 . 1 1 179 179 ILE CA C 13 62.4 0.1 . 1 . . . . . . . . 4152 1 1226 . 1 1 179 179 ILE CB C 13 35.2 0.1 . 1 . . . . . . . . 4152 1 1227 . 1 1 180 180 GLY H H 1 7.89 0.01 . 1 . . . . . . . . 4152 1 1228 . 1 1 180 180 GLY HA2 H 1 3.77 0.01 . 2 . . . . . . . . 4152 1 1229 . 1 1 180 180 GLY HA3 H 1 3.91 0.01 . 2 . . . . . . . . 4152 1 1230 . 1 1 180 180 GLY N N 15 107.8 0.1 . 1 . . . . . . . . 4152 1 1231 . 1 1 180 180 GLY CA C 13 45.2 0.1 . 1 . . . . . . . . 4152 1 1232 . 1 1 181 181 TYR H H 1 7.93 0.01 . 1 . . . . . . . . 4152 1 1233 . 1 1 181 181 TYR HA H 1 4.04 0.01 . 1 . . . . . . . . 4152 1 1234 . 1 1 181 181 TYR HB2 H 1 3.11 0.01 . 2 . . . . . . . . 4152 1 1235 . 1 1 181 181 TYR HB3 H 1 2.82 0.01 . 2 . . . . . . . . 4152 1 1236 . 1 1 181 181 TYR HD1 H 1 6.18 0.01 . 1 . . . . . . . . 4152 1 1237 . 1 1 181 181 TYR HD2 H 1 6.18 0.01 . 1 . . . . . . . . 4152 1 1238 . 1 1 181 181 TYR HE1 H 1 6.50 0.01 . 1 . . . . . . . . 4152 1 1239 . 1 1 181 181 TYR HE2 H 1 6.50 0.01 . 1 . . . . . . . . 4152 1 1240 . 1 1 181 181 TYR N N 15 123.9 0.1 . 1 . . . . . . . . 4152 1 1241 . 1 1 181 181 TYR CA C 13 58.9 0.1 . 1 . . . . . . . . 4152 1 1242 . 1 1 181 181 TYR CB C 13 36.4 0.1 . 1 . . . . . . . . 4152 1 1243 . 1 1 182 182 TYR H H 1 8.91 0.01 . 1 . . . . . . . . 4152 1 1244 . 1 1 182 182 TYR HA H 1 4.28 0.01 . 1 . . . . . . . . 4152 1 1245 . 1 1 182 182 TYR HD1 H 1 7.05 0.01 . 1 . . . . . . . . 4152 1 1246 . 1 1 182 182 TYR HD2 H 1 7.05 0.01 . 1 . . . . . . . . 4152 1 1247 . 1 1 182 182 TYR HE1 H 1 6.77 0.01 . 1 . . . . . . . . 4152 1 1248 . 1 1 182 182 TYR HE2 H 1 6.77 0.01 . 1 . . . . . . . . 4152 1 1249 . 1 1 182 182 TYR N N 15 118.7 0.1 . 1 . . . . . . . . 4152 1 1250 . 1 1 182 182 TYR CA C 13 60.7 0.1 . 1 . . . . . . . . 4152 1 1251 . 1 1 182 182 TYR CB C 13 35.5 0.1 . 1 . . . . . . . . 4152 1 1252 . 1 1 183 183 SER H H 1 8.48 0.01 . 1 . . . . . . . . 4152 1 1253 . 1 1 183 183 SER HA H 1 3.81 0.01 . 1 . . . . . . . . 4152 1 1254 . 1 1 183 183 SER HB2 H 1 3.61 0.01 . 2 . . . . . . . . 4152 1 1255 . 1 1 183 183 SER N N 15 117.1 0.1 . 1 . . . . . . . . 4152 1 1256 . 1 1 183 183 SER CA C 13 59.8 0.1 . 1 . . . . . . . . 4152 1 1257 . 1 1 183 183 SER CB C 13 63.6 0.1 . 1 . . . . . . . . 4152 1 1258 . 1 1 184 184 LYS H H 1 7.50 0.01 . 1 . . . . . . . . 4152 1 1259 . 1 1 184 184 LYS HA H 1 4.13 0.01 . 1 . . . . . . . . 4152 1 1260 . 1 1 184 184 LYS HB2 H 1 1.85 0.01 . 1 . . . . . . . . 4152 1 1261 . 1 1 184 184 LYS HB3 H 1 1.85 0.01 . 1 . . . . . . . . 4152 1 1262 . 1 1 184 184 LYS N N 15 123.3 0.1 . 1 . . . . . . . . 4152 1 1263 . 1 1 184 184 LYS CA C 13 56.7 0.1 . 1 . . . . . . . . 4152 1 1264 . 1 1 184 184 LYS CB C 13 28.9 0.1 . 1 . . . . . . . . 4152 1 1265 . 1 1 185 185 GLU H H 1 8.00 0.01 . 1 . . . . . . . . 4152 1 1266 . 1 1 185 185 GLU HA H 1 3.99 0.01 . 1 . . . . . . . . 4152 1 1267 . 1 1 185 185 GLU HB2 H 1 2.07 0.01 . 2 . . . . . . . . 4152 1 1268 . 1 1 185 185 GLU HB3 H 1 2.24 0.01 . 2 . . . . . . . . 4152 1 1269 . 1 1 185 185 GLU N N 15 120.7 0.1 . 1 . . . . . . . . 4152 1 1270 . 1 1 185 185 GLU CA C 13 56.4 0.1 . 1 . . . . . . . . 4152 1 1271 . 1 1 185 185 GLU CB C 13 27.8 0.1 . 1 . . . . . . . . 4152 1 1272 . 1 1 186 186 ALA H H 1 8.38 0.01 . 1 . . . . . . . . 4152 1 1273 . 1 1 186 186 ALA HA H 1 4.66 0.01 . 1 . . . . . . . . 4152 1 1274 . 1 1 186 186 ALA HB1 H 1 1.64 0.01 . 1 . . . . . . . . 4152 1 1275 . 1 1 186 186 ALA HB2 H 1 1.64 0.01 . 1 . . . . . . . . 4152 1 1276 . 1 1 186 186 ALA HB3 H 1 1.64 0.01 . 1 . . . . . . . . 4152 1 1277 . 1 1 186 186 ALA N N 15 122.8 0.1 . 1 . . . . . . . . 4152 1 1278 . 1 1 186 186 ALA CA C 13 52.0 0.1 . 1 . . . . . . . . 4152 1 1279 . 1 1 186 186 ALA CB C 13 17.2 0.1 . 1 . . . . . . . . 4152 1 1280 . 1 1 187 187 GLU H H 1 8.01 0.01 . 1 . . . . . . . . 4152 1 1281 . 1 1 187 187 GLU HA H 1 4.13 0.01 . 1 . . . . . . . . 4152 1 1282 . 1 1 187 187 GLU HB2 H 1 2.22 0.01 . 1 . . . . . . . . 4152 1 1283 . 1 1 187 187 GLU HB3 H 1 2.22 0.01 . 1 . . . . . . . . 4152 1 1284 . 1 1 187 187 GLU N N 15 122.0 0.1 . 1 . . . . . . . . 4152 1 1285 . 1 1 187 187 GLU CA C 13 56.8 0.1 . 1 . . . . . . . . 4152 1 1286 . 1 1 187 187 GLU CB C 13 27.0 0.1 . 1 . . . . . . . . 4152 1 1287 . 1 1 188 188 ALA H H 1 7.54 0.01 . 1 . . . . . . . . 4152 1 1288 . 1 1 188 188 ALA HA H 1 4.36 0.01 . 1 . . . . . . . . 4152 1 1289 . 1 1 188 188 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 4152 1 1290 . 1 1 188 188 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 4152 1 1291 . 1 1 188 188 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 4152 1 1292 . 1 1 188 188 ALA N N 15 118.8 0.1 . 1 . . . . . . . . 4152 1 1293 . 1 1 188 188 ALA CA C 13 50.0 0.1 . 1 . . . . . . . . 4152 1 1294 . 1 1 188 188 ALA CB C 13 17.3 0.1 . 1 . . . . . . . . 4152 1 1295 . 1 1 189 189 GLY H H 1 7.86 0.01 . 1 . . . . . . . . 4152 1 1296 . 1 1 189 189 GLY HA2 H 1 4.26 0.01 . 2 . . . . . . . . 4152 1 1297 . 1 1 189 189 GLY HA3 H 1 3.89 0.01 . 2 . . . . . . . . 4152 1 1298 . 1 1 189 189 GLY N N 15 105.6 0.1 . 1 . . . . . . . . 4152 1 1299 . 1 1 189 189 GLY CA C 13 43.2 0.1 . 1 . . . . . . . . 4152 1 1300 . 1 1 190 190 ASN H H 1 8.18 0.01 . 1 . . . . . . . . 4152 1 1301 . 1 1 190 190 ASN HA H 1 4.73 0.01 . 1 . . . . . . . . 4152 1 1302 . 1 1 190 190 ASN HB2 H 1 2.97 0.01 . 1 . . . . . . . . 4152 1 1303 . 1 1 190 190 ASN HB3 H 1 2.69 0.01 . 1 . . . . . . . . 4152 1 1304 . 1 1 190 190 ASN HD21 H 1 6.87 0.01 . 2 . . . . . . . . 4152 1 1305 . 1 1 190 190 ASN HD22 H 1 7.85 0.01 . 2 . . . . . . . . 4152 1 1306 . 1 1 190 190 ASN N N 15 117.3 0.1 . 1 . . . . . . . . 4152 1 1307 . 1 1 190 190 ASN ND2 N 15 113.5 0.1 . 1 . . . . . . . . 4152 1 1308 . 1 1 190 190 ASN CA C 13 51.8 0.1 . 1 . . . . . . . . 4152 1 1309 . 1 1 190 190 ASN CB C 13 37.4 0.1 . 1 . . . . . . . . 4152 1 1310 . 1 1 191 191 THR H H 1 7.57 0.01 . 1 . . . . . . . . 4152 1 1311 . 1 1 191 191 THR HA H 1 4.27 0.01 . 1 . . . . . . . . 4152 1 1312 . 1 1 191 191 THR HB H 1 4.10 0.01 . 1 . . . . . . . . 4152 1 1313 . 1 1 191 191 THR N N 15 113.2 0.1 . 1 . . . . . . . . 4152 1 1314 . 1 1 191 191 THR CA C 13 58.7 0.1 . 1 . . . . . . . . 4152 1 1315 . 1 1 191 191 THR CB C 13 66.6 0.1 . 1 . . . . . . . . 4152 1 1316 . 1 1 192 192 LYS H H 1 7.90 0.01 . 1 . . . . . . . . 4152 1 1317 . 1 1 192 192 LYS HA H 1 4.36 0.01 . 1 . . . . . . . . 4152 1 1318 . 1 1 192 192 LYS N N 15 122.8 0.1 . 1 . . . . . . . . 4152 1 1319 . 1 1 192 192 LYS CA C 13 53.5 0.1 . 1 . . . . . . . . 4152 1 1320 . 1 1 192 192 LYS CB C 13 32.1 0.1 . 1 . . . . . . . . 4152 1 1321 . 1 1 193 193 TYR H H 1 8.29 0.01 . 1 . . . . . . . . 4152 1 1322 . 1 1 193 193 TYR HA H 1 5.76 0.01 . 1 . . . . . . . . 4152 1 1323 . 1 1 193 193 TYR HB2 H 1 2.78 0.01 . 2 . . . . . . . . 4152 1 1324 . 1 1 193 193 TYR HB3 H 1 2.72 0.01 . 2 . . . . . . . . 4152 1 1325 . 1 1 193 193 TYR HD1 H 1 6.87 0.01 . 1 . . . . . . . . 4152 1 1326 . 1 1 193 193 TYR HD2 H 1 6.87 0.01 . 1 . . . . . . . . 4152 1 1327 . 1 1 193 193 TYR HE1 H 1 6.69 0.01 . 1 . . . . . . . . 4152 1 1328 . 1 1 193 193 TYR HE2 H 1 6.69 0.01 . 1 . . . . . . . . 4152 1 1329 . 1 1 193 193 TYR N N 15 124.0 0.1 . 1 . . . . . . . . 4152 1 1330 . 1 1 193 193 TYR CA C 13 53.5 0.1 . 1 . . . . . . . . 4152 1 1331 . 1 1 193 193 TYR CB C 13 39.8 0.1 . 1 . . . . . . . . 4152 1 1332 . 1 1 194 194 ALA H H 1 8.37 0.01 . 1 . . . . . . . . 4152 1 1333 . 1 1 194 194 ALA HA H 1 4.30 0.01 . 1 . . . . . . . . 4152 1 1334 . 1 1 194 194 ALA HB1 H 1 1.26 0.01 . 1 . . . . . . . . 4152 1 1335 . 1 1 194 194 ALA HB2 H 1 1.26 0.01 . 1 . . . . . . . . 4152 1 1336 . 1 1 194 194 ALA HB3 H 1 1.26 0.01 . 1 . . . . . . . . 4152 1 1337 . 1 1 194 194 ALA N N 15 130.2 0.1 . 1 . . . . . . . . 4152 1 1338 . 1 1 194 194 ALA CA C 13 49.3 0.1 . 1 . . . . . . . . 4152 1 1339 . 1 1 194 194 ALA CB C 13 20.3 0.1 . 1 . . . . . . . . 4152 1 1340 . 1 1 195 195 LYS H H 1 8.28 0.01 . 1 . . . . . . . . 4152 1 1341 . 1 1 195 195 LYS HA H 1 4.96 0.01 . 1 . . . . . . . . 4152 1 1342 . 1 1 195 195 LYS HB2 H 1 1.83 0.01 . 2 . . . . . . . . 4152 1 1343 . 1 1 195 195 LYS HB3 H 1 1.75 0.01 . 2 . . . . . . . . 4152 1 1344 . 1 1 195 195 LYS HG2 H 1 1.38 0.01 . 2 . . . . . . . . 4152 1 1345 . 1 1 195 195 LYS N N 15 122.4 0.1 . 1 . . . . . . . . 4152 1 1346 . 1 1 195 195 LYS CA C 13 52.6 0.1 . 1 . . . . . . . . 4152 1 1347 . 1 1 195 195 LYS CB C 13 31.7 0.1 . 1 . . . . . . . . 4152 1 1348 . 1 1 196 196 VAL H H 1 9.16 0.01 . 1 . . . . . . . . 4152 1 1349 . 1 1 196 196 VAL HA H 1 4.27 0.01 . 1 . . . . . . . . 4152 1 1350 . 1 1 196 196 VAL HB H 1 1.83 0.01 . 1 . . . . . . . . 4152 1 1351 . 1 1 196 196 VAL HG11 H 1 0.76 0.01 . 2 . . . . . . . . 4152 1 1352 . 1 1 196 196 VAL HG12 H 1 0.76 0.01 . 2 . . . . . . . . 4152 1 1353 . 1 1 196 196 VAL HG13 H 1 0.76 0.01 . 2 . . . . . . . . 4152 1 1354 . 1 1 196 196 VAL HG21 H 1 0.66 0.01 . 2 . . . . . . . . 4152 1 1355 . 1 1 196 196 VAL HG22 H 1 0.66 0.01 . 2 . . . . . . . . 4152 1 1356 . 1 1 196 196 VAL HG23 H 1 0.66 0.01 . 2 . . . . . . . . 4152 1 1357 . 1 1 196 196 VAL N N 15 126.0 0.1 . 1 . . . . . . . . 4152 1 1358 . 1 1 196 196 VAL CA C 13 57.8 0.1 . 1 . . . . . . . . 4152 1 1359 . 1 1 196 196 VAL CB C 13 32.1 0.1 . 1 . . . . . . . . 4152 1 1360 . 1 1 197 197 ASP H H 1 8.77 0.01 . 1 . . . . . . . . 4152 1 1361 . 1 1 197 197 ASP HA H 1 4.67 0.01 . 1 . . . . . . . . 4152 1 1362 . 1 1 197 197 ASP HB2 H 1 2.94 0.01 . 2 . . . . . . . . 4152 1 1363 . 1 1 197 197 ASP N N 15 125.0 0.1 . 1 . . . . . . . . 4152 1 1364 . 1 1 197 197 ASP CA C 13 50.7 0.1 . 1 . . . . . . . . 4152 1 1365 . 1 1 197 197 ASP CB C 13 37.8 0.1 . 1 . . . . . . . . 4152 1 1366 . 1 1 198 198 GLY H H 1 8.39 0.01 . 1 . . . . . . . . 4152 1 1367 . 1 1 198 198 GLY HA2 H 1 3.80 0.01 . 2 . . . . . . . . 4152 1 1368 . 1 1 198 198 GLY HA3 H 1 2.74 0.01 . 2 . . . . . . . . 4152 1 1369 . 1 1 198 198 GLY N N 15 112.1 0.1 . 1 . . . . . . . . 4152 1 1370 . 1 1 198 198 GLY CA C 13 44.0 0.1 . 1 . . . . . . . . 4152 1 1371 . 1 1 199 199 THR H H 1 8.72 0.01 . 1 . . . . . . . . 4152 1 1372 . 1 1 199 199 THR HA H 1 4.27 0.01 . 1 . . . . . . . . 4152 1 1373 . 1 1 199 199 THR N N 15 111.7 0.1 . 1 . . . . . . . . 4152 1 1374 . 1 1 199 199 THR CA C 13 60.5 0.1 . 1 . . . . . . . . 4152 1 1375 . 1 1 199 199 THR CB C 13 67.0 0.1 . 1 . . . . . . . . 4152 1 1376 . 1 1 200 200 LYS H H 1 6.61 0.01 . 1 . . . . . . . . 4152 1 1377 . 1 1 200 200 LYS HA H 1 4.40 0.01 . 1 . . . . . . . . 4152 1 1378 . 1 1 200 200 LYS HB2 H 1 1.66 0.01 . 2 . . . . . . . . 4152 1 1379 . 1 1 200 200 LYS N N 15 121.8 0.1 . 1 . . . . . . . . 4152 1 1380 . 1 1 200 200 LYS CA C 13 53.0 0.1 . 1 . . . . . . . . 4152 1 1381 . 1 1 200 200 LYS CB C 13 29.5 0.1 . 1 . . . . . . . . 4152 1 1382 . 1 1 201 201 PRO HA H 1 4.51 0.01 . 1 . . . . . . . . 4152 1 1383 . 1 1 201 201 PRO HB2 H 1 1.76 0.01 . 2 . . . . . . . . 4152 1 1384 . 1 1 201 201 PRO CA C 13 60.7 0.1 . 1 . . . . . . . . 4152 1 1385 . 1 1 201 201 PRO CB C 13 30.0 0.1 . 1 . . . . . . . . 4152 1 1386 . 1 1 202 202 VAL H H 1 8.44 0.01 . 1 . . . . . . . . 4152 1 1387 . 1 1 202 202 VAL HA H 1 3.53 0.01 . 1 . . . . . . . . 4152 1 1388 . 1 1 202 202 VAL HB H 1 2.03 0.01 . 1 . . . . . . . . 4152 1 1389 . 1 1 202 202 VAL HG11 H 1 0.85 0.01 . 1 . . . . . . . . 4152 1 1390 . 1 1 202 202 VAL HG12 H 1 0.85 0.01 . 1 . . . . . . . . 4152 1 1391 . 1 1 202 202 VAL HG13 H 1 0.85 0.01 . 1 . . . . . . . . 4152 1 1392 . 1 1 202 202 VAL HG21 H 1 0.85 0.01 . 1 . . . . . . . . 4152 1 1393 . 1 1 202 202 VAL HG22 H 1 0.85 0.01 . 1 . . . . . . . . 4152 1 1394 . 1 1 202 202 VAL HG23 H 1 0.85 0.01 . 1 . . . . . . . . 4152 1 1395 . 1 1 202 202 VAL N N 15 123.3 0.1 . 1 . . . . . . . . 4152 1 1396 . 1 1 202 202 VAL CA C 13 64.8 0.1 . 1 . . . . . . . . 4152 1 1397 . 1 1 202 202 VAL CB C 13 29.5 0.1 . 1 . . . . . . . . 4152 1 1398 . 1 1 203 203 ALA H H 1 8.82 0.01 . 1 . . . . . . . . 4152 1 1399 . 1 1 203 203 ALA HA H 1 3.95 0.01 . 1 . . . . . . . . 4152 1 1400 . 1 1 203 203 ALA HB1 H 1 1.40 0.01 . 1 . . . . . . . . 4152 1 1401 . 1 1 203 203 ALA HB2 H 1 1.40 0.01 . 1 . . . . . . . . 4152 1 1402 . 1 1 203 203 ALA HB3 H 1 1.40 0.01 . 1 . . . . . . . . 4152 1 1403 . 1 1 203 203 ALA N N 15 119.6 0.1 . 1 . . . . . . . . 4152 1 1404 . 1 1 203 203 ALA CA C 13 52.8 0.1 . 1 . . . . . . . . 4152 1 1405 . 1 1 203 203 ALA CB C 13 16.8 0.1 . 1 . . . . . . . . 4152 1 1406 . 1 1 204 204 GLU H H 1 7.47 0.01 . 1 . . . . . . . . 4152 1 1407 . 1 1 204 204 GLU HA H 1 4.15 0.01 . 1 . . . . . . . . 4152 1 1408 . 1 1 204 204 GLU N N 15 117.7 0.1 . 1 . . . . . . . . 4152 1 1409 . 1 1 204 204 GLU CA C 13 56.2 0.1 . 1 . . . . . . . . 4152 1 1410 . 1 1 204 204 GLU CB C 13 27.8 0.1 . 1 . . . . . . . . 4152 1 1411 . 1 1 205 205 VAL H H 1 7.93 0.01 . 1 . . . . . . . . 4152 1 1412 . 1 1 205 205 VAL HA H 1 3.69 0.01 . 1 . . . . . . . . 4152 1 1413 . 1 1 205 205 VAL HB H 1 2.03 0.01 . 1 . . . . . . . . 4152 1 1414 . 1 1 205 205 VAL HG11 H 1 1.03 0.01 . 2 . . . . . . . . 4152 1 1415 . 1 1 205 205 VAL HG12 H 1 1.03 0.01 . 2 . . . . . . . . 4152 1 1416 . 1 1 205 205 VAL HG13 H 1 1.03 0.01 . 2 . . . . . . . . 4152 1 1417 . 1 1 205 205 VAL HG21 H 1 0.90 0.01 . 2 . . . . . . . . 4152 1 1418 . 1 1 205 205 VAL HG22 H 1 0.90 0.01 . 2 . . . . . . . . 4152 1 1419 . 1 1 205 205 VAL HG23 H 1 0.90 0.01 . 2 . . . . . . . . 4152 1 1420 . 1 1 205 205 VAL N N 15 121.4 0.1 . 1 . . . . . . . . 4152 1 1421 . 1 1 205 205 VAL CA C 13 64.2 0.1 . 1 . . . . . . . . 4152 1 1422 . 1 1 205 205 VAL CB C 13 29.9 0.1 . 1 . . . . . . . . 4152 1 1423 . 1 1 206 206 ARG H H 1 7.97 0.01 . 1 . . . . . . . . 4152 1 1424 . 1 1 206 206 ARG HA H 1 3.60 0.01 . 1 . . . . . . . . 4152 1 1425 . 1 1 206 206 ARG HB2 H 1 1.56 0.01 . 2 . . . . . . . . 4152 1 1426 . 1 1 206 206 ARG HB3 H 1 1.38 0.01 . 2 . . . . . . . . 4152 1 1427 . 1 1 206 206 ARG N N 15 118.2 0.1 . 1 . . . . . . . . 4152 1 1428 . 1 1 206 206 ARG CA C 13 57.4 0.1 . 1 . . . . . . . . 4152 1 1429 . 1 1 206 206 ARG CB C 13 27.4 0.1 . 1 . . . . . . . . 4152 1 1430 . 1 1 207 207 ALA H H 1 7.28 0.01 . 1 . . . . . . . . 4152 1 1431 . 1 1 207 207 ALA HA H 1 4.18 0.01 . 1 . . . . . . . . 4152 1 1432 . 1 1 207 207 ALA HB1 H 1 1.51 0.01 . 1 . . . . . . . . 4152 1 1433 . 1 1 207 207 ALA HB2 H 1 1.51 0.01 . 1 . . . . . . . . 4152 1 1434 . 1 1 207 207 ALA HB3 H 1 1.51 0.01 . 1 . . . . . . . . 4152 1 1435 . 1 1 207 207 ALA N N 15 120.5 0.1 . 1 . . . . . . . . 4152 1 1436 . 1 1 207 207 ALA CA C 13 52.5 0.1 . 1 . . . . . . . . 4152 1 1437 . 1 1 207 207 ALA CB C 13 16.2 0.1 . 1 . . . . . . . . 4152 1 1438 . 1 1 208 208 ASP H H 1 8.23 0.01 . 1 . . . . . . . . 4152 1 1439 . 1 1 208 208 ASP HA H 1 4.43 0.01 . 1 . . . . . . . . 4152 1 1440 . 1 1 208 208 ASP HB2 H 1 3.03 0.01 . 2 . . . . . . . . 4152 1 1441 . 1 1 208 208 ASP HB3 H 1 2.54 0.01 . 2 . . . . . . . . 4152 1 1442 . 1 1 208 208 ASP N N 15 121.2 0.1 . 1 . . . . . . . . 4152 1 1443 . 1 1 208 208 ASP CA C 13 55.3 0.1 . 1 . . . . . . . . 4152 1 1444 . 1 1 208 208 ASP CB C 13 37.4 0.1 . 1 . . . . . . . . 4152 1 1445 . 1 1 209 209 LEU H H 1 8.54 0.01 . 1 . . . . . . . . 4152 1 1446 . 1 1 209 209 LEU HA H 1 3.96 0.01 . 1 . . . . . . . . 4152 1 1447 . 1 1 209 209 LEU HB2 H 1 2.31 0.01 . 2 . . . . . . . . 4152 1 1448 . 1 1 209 209 LEU HB3 H 1 1.35 0.01 . 2 . . . . . . . . 4152 1 1449 . 1 1 209 209 LEU N N 15 120.5 0.1 . 1 . . . . . . . . 4152 1 1450 . 1 1 209 209 LEU CA C 13 55.6 0.1 . 1 . . . . . . . . 4152 1 1451 . 1 1 209 209 LEU CB C 13 40.0 0.1 . 1 . . . . . . . . 4152 1 1452 . 1 1 210 210 GLU H H 1 8.42 0.01 . 1 . . . . . . . . 4152 1 1453 . 1 1 210 210 GLU HA H 1 4.19 0.01 . 1 . . . . . . . . 4152 1 1454 . 1 1 210 210 GLU HB2 H 1 2.24 0.01 . 2 . . . . . . . . 4152 1 1455 . 1 1 210 210 GLU HB3 H 1 2.05 0.01 . 2 . . . . . . . . 4152 1 1456 . 1 1 210 210 GLU N N 15 118.8 0.1 . 1 . . . . . . . . 4152 1 1457 . 1 1 210 210 GLU CA C 13 57.0 0.1 . 1 . . . . . . . . 4152 1 1458 . 1 1 210 210 GLU CB C 13 27.4 0.1 . 1 . . . . . . . . 4152 1 1459 . 1 1 211 211 LYS H H 1 7.70 0.01 . 1 . . . . . . . . 4152 1 1460 . 1 1 211 211 LYS HA H 1 4.12 0.01 . 1 . . . . . . . . 4152 1 1461 . 1 1 211 211 LYS HB2 H 1 1.99 0.01 . 1 . . . . . . . . 4152 1 1462 . 1 1 211 211 LYS HB3 H 1 1.99 0.01 . 1 . . . . . . . . 4152 1 1463 . 1 1 211 211 LYS N N 15 118.9 0.1 . 1 . . . . . . . . 4152 1 1464 . 1 1 211 211 LYS CA C 13 56.3 0.1 . 1 . . . . . . . . 4152 1 1465 . 1 1 211 211 LYS CB C 13 30.0 0.1 . 1 . . . . . . . . 4152 1 1466 . 1 1 212 212 ILE H H 1 7.64 0.01 . 1 . . . . . . . . 4152 1 1467 . 1 1 212 212 ILE HA H 1 3.72 0.01 . 1 . . . . . . . . 4152 1 1468 . 1 1 212 212 ILE HB H 1 1.63 0.01 . 1 . . . . . . . . 4152 1 1469 . 1 1 212 212 ILE N N 15 119.2 0.1 . 1 . . . . . . . . 4152 1 1470 . 1 1 212 212 ILE CA C 13 62.2 0.1 . 1 . . . . . . . . 4152 1 1471 . 1 1 212 212 ILE CB C 13 37.4 0.1 . 1 . . . . . . . . 4152 1 1472 . 1 1 213 213 LEU H H 1 8.14 0.01 . 1 . . . . . . . . 4152 1 1473 . 1 1 213 213 LEU HA H 1 3.69 0.01 . 1 . . . . . . . . 4152 1 1474 . 1 1 213 213 LEU HB2 H 1 1.83 0.01 . 2 . . . . . . . . 4152 1 1475 . 1 1 213 213 LEU HB3 H 1 0.91 0.01 . 2 . . . . . . . . 4152 1 1476 . 1 1 213 213 LEU HG H 1 1.37 0.01 . 1 . . . . . . . . 4152 1 1477 . 1 1 213 213 LEU HD11 H 1 -0.12 0.01 . 1 . . . . . . . . 4152 1 1478 . 1 1 213 213 LEU HD12 H 1 -0.12 0.01 . 1 . . . . . . . . 4152 1 1479 . 1 1 213 213 LEU HD13 H 1 -0.12 0.01 . 1 . . . . . . . . 4152 1 1480 . 1 1 213 213 LEU HD21 H 1 0.56 0.01 . 1 . . . . . . . . 4152 1 1481 . 1 1 213 213 LEU HD22 H 1 0.56 0.01 . 1 . . . . . . . . 4152 1 1482 . 1 1 213 213 LEU HD23 H 1 0.56 0.01 . 1 . . . . . . . . 4152 1 1483 . 1 1 213 213 LEU N N 15 117.3 0.1 . 1 . . . . . . . . 4152 1 1484 . 1 1 213 213 LEU CA C 13 53.5 0.1 . 1 . . . . . . . . 4152 1 1485 . 1 1 213 213 LEU CB C 13 39.1 0.1 . 1 . . . . . . . . 4152 1 1486 . 1 1 214 214 GLY H H 1 7.68 0.01 . 1 . . . . . . . . 4152 1 1487 . 1 1 214 214 GLY HA2 H 1 3.99 0.01 . 2 . . . . . . . . 4152 1 1488 . 1 1 214 214 GLY HA3 H 1 3.72 0.01 . 2 . . . . . . . . 4152 1 1489 . 1 1 214 214 GLY N N 15 112.6 0.1 . 1 . . . . . . . . 4152 1 1490 . 1 1 214 214 GLY CA C 13 44.1 0.1 . 1 . . . . . . . . 4152 1 stop_ save_