data_4300 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4300 _Entry.Title ; 1H , 13C, 15N Assigned Chemical Shifts for HPPK-AMPPCP Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-01-22 _Entry.Accession_date 1999-01-25 _Entry.Last_release_date 1999-08-12 _Entry.Original_release_date 1999-08-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Genbin Shi . . . 4300 2 Jinhai Gao . . . 4300 3 Honggao Yan . . . 4300 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4300 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 868 4300 '13C chemical shifts' 240 4300 '15N chemical shifts' 139 4300 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 1999-08-12 1999-01-22 original author . 4300 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4299 apo-HPPK 4300 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4300 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99356754 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Shi, G., Gao, J., and Yan, H., "1H, 13C and 15N Resonance Assignments of Escherichia coli 6-hydroxymethyl-7,8-dihydropterin Pyrophosphokinase and its Complex with MgAMPPCP," J. Biomol. NMR 14, 189-190 (1999). ; _Citation.Title ; 1H, 13C and 15N Resonance Assignments of Escherichia coli 6-hydroxymethyl-7,8-dihydropterin Pyrophosphokinase and its Complex with MgAMPPCP ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 14 _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 189 _Citation.Page_last 190 _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 Genbin Shi . . . 4300 1 2 Jinhai Gao . . . 4300 1 3 Honggao Yan . . . 4300 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_HPPK_AMPPCP _Assembly.Sf_category assembly _Assembly.Sf_framecode HPPK_AMPPCP _Assembly.Entry_ID 4300 _Assembly.ID 1 _Assembly.Name 'HPPK-AMPPCP complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.6.3 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4300 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 'HPPK monomer' 1 $HPPK . . . native . . . . . 4300 1 2 AMPPCP 2 $AMPPCP . . . native . . . . . 4300 1 3 Mg 3 $MG . . . native . . . . . 4300 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HPPK-AMPPCP complex' system 4300 1 'HPPK AMPPCP' abbreviation 4300 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID pyrophosphokinase 4300 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HPPK _Entity.Sf_category entity _Entity.Sf_framecode HPPK _Entity.Entry_ID 4300 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase' _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 ; TVAYIAIGSNLASPLEQVNA ALKALGDIPESHILTVSSFY RTPPLGPQDQPDYLNAAVAL ETSLAPEELLNHTQRIELQQ GRVRKAERWGPRTLDLDIML FGNEVINTERLTVPHYDMKN RGFMLWPLFEIAPELVFPDG EMLRQILHTRAFDKLNKW ; _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 158 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4299 . "6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase" . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 2 no PDB 1DY3 . "Ternary Complex Of 7,8-Dihydro-6- Hydroxymethylpterinpyrophosphokinase From Escherichia Coli With Atp And A Substrate Analogue." . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 3 no PDB 1EQ0 . "Solution Structure Of 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed With Mgamppcp" . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 4 no PDB 1EQM . "Crystal Structure Of Binary Complex Of 6-Hydroxymethyl-7,8- Dihydropterin Pyrophosphokinase With Adenosine-5'- Diphosphate" . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 5 no PDB 1EX8 . "Crystal Structure Of 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed With Hp4a, The Two-Substrate- Mimicking Inhi" . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 6 no PDB 1F9H . "Crystal Structure Of The Ternary Complex Of E. Coli Hppk(R92a) With Mgampcpp And 6-Hydroxymethyl-7,8- Dihydropterin At 1.50 Ang" . . . . . 100.00 158 99.37 99.37 4.31e-110 . . . . 4300 1 7 no PDB 1G4C . "Crystal Structure Of A Complex Of Hppk(R92a) From E.Coli With Mg2+ At 1.65 Angstrom Resolution" . . . . . 100.00 158 99.37 99.37 4.31e-110 . . . . 4300 1 8 no PDB 1HKA . "6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase" . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 9 no PDB 1HQ2 . "Crystal Structure Of A Ternary Complex Of E.Coli Hppk(R82a) With Mgampcpp And 6-Hydroxymethyl-7,8-Dihydropterin At 1.25 Angstro" . . . . . 100.00 158 99.37 99.37 4.31e-110 . . . . 4300 1 10 no PDB 1IM6 . "Crystal Structure Of Unligated Hppk(R82a) From E.Coli At 1.74 Angstrom Resolution" . . . . . 100.00 158 99.37 99.37 4.31e-110 . . . . 4300 1 11 no PDB 1KBR . "Crystal Structure Of Unligated Hppk(R92a) From E.Coli At 1.55 Angstrom Resolution" . . . . . 100.00 158 99.37 99.37 4.31e-110 . . . . 4300 1 12 no PDB 1Q0N . "Crystal Structure Of A Ternary Complex Of 6-Hydroxymethyl-7, 8-Dihydropterin Pyrophosphokinase From E. Coli With Mgampcpp And 6" . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 13 no PDB 1RAO . "Crystal Structure Of A Ternary Complex Of E. Coli Hppk With Amp And 6-Hydroxymethylpterin-Diphosphate At 1.56 Angstrom Resoluti" . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 14 no PDB 1RB0 . "Crystal Structure Of A Binary Complex Of E. Coli Hppk With 6-Hydroxymethylpterin-Diphosphate At 1.35 Angstrom Resolution" . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 15 no PDB 1TMJ . "Crystal Structure Of E.Coli Apo-Hppk(W89a) At 1.45 Angstrom Resolution" . . . . . 100.00 158 99.37 99.37 1.39e-109 . . . . 4300 1 16 no PDB 1TMM . "Crystal Structure Of Ternary Complex Of E.Coli Hppk(W89a) With Mgampcpp And 6-Hydroxymethylpterin" . . . . . 100.00 158 99.37 99.37 1.39e-109 . . . . 4300 1 17 no PDB 2F63 . "Solution Structure Of Hppk In Complex With Inhibitor Analogs Ampcpp And Hp-1" . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 18 no PDB 2F65 . "Solution Structure Of Hppk In Complex With Inhibitor Analog Ampcpp" . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 19 no PDB 3HCX . "Crystal Structure Of E. Coli Hppk(N10a)" . . . . . 100.00 158 99.37 99.37 5.79e-110 . . . . 4300 1 20 no PDB 3HD1 . "Crystal Structure Of E. Coli Hppk(N10a) In Complex With Mgam" . . . . . 100.00 158 99.37 99.37 5.79e-110 . . . . 4300 1 21 no PDB 3HD2 . "Crystal Structure Of E. Coli Hppk(Q50a) In Complex With Mgam Pterin" . . . . . 100.00 158 99.37 99.37 3.46e-110 . . . . 4300 1 22 no PDB 3HSD . "Crystal Structure Of E. Coli Hppk(Y53a)" . . . . . 100.00 158 99.37 99.37 7.69e-110 . . . . 4300 1 23 no PDB 3HSG . "Crystal Structure Of E. Coli Hppk(Y53a) In Complex With Mgampcpp" . . . . . 100.00 158 99.37 99.37 7.69e-110 . . . . 4300 1 24 no PDB 3HSJ . "Crystal Structure Of E. Coli Hppk(N55a)" . . . . . 100.00 158 99.37 99.37 5.79e-110 . . . . 4300 1 25 no PDB 3HSZ . "Crystal Structure Of E. Coli Hppk(F123a)" . . . . . 100.00 158 99.37 99.37 6.97e-110 . . . . 4300 1 26 no PDB 3HT0 . "Crystal Structure Of E. Coli Hppk(F123a) In Complex With Mgampcpp" . . . . . 100.00 158 99.37 99.37 6.97e-110 . . . . 4300 1 27 no PDB 3ILI . "Crystal Structure Of E. Coli Hppk(D95a)" . . . . . 100.00 158 99.37 99.37 4.86e-110 . . . . 4300 1 28 no PDB 3ILJ . "Crystal Structure Of E. Coli Hppk(D95a) In Complex With Mgampcpp" . . . . . 100.00 158 99.37 99.37 4.86e-110 . . . . 4300 1 29 no PDB 3ILL . "Crystal Structure Of E. Coli Hppk(D97a)" . . . . . 100.00 158 99.37 99.37 4.86e-110 . . . . 4300 1 30 no PDB 3ILO . "Crystal Structure Of E. Coli Hppk(D97a) In Complex With Mgampcpp And 6-Hydroxymethyl-7,8-Dihydropterin" . . . . . 100.00 158 99.37 99.37 4.86e-110 . . . . 4300 1 31 no PDB 3IP0 . "Crystal Structure Of E. Coli Hppk In Complx With Mgampcpp And 6-Hydroxymethylpterin6-Carboxypterin" . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 32 no PDB 3KUE . "Crystal Structure Of E. Coli Hppk(E77a)" . . . . . 100.00 158 99.37 99.37 2.87e-110 . . . . 4300 1 33 no PDB 3KUG . "Crystal Structure Of E. Coli Hppk(H115a)" . . . . . 100.00 158 99.37 99.37 8.58e-110 . . . . 4300 1 34 no PDB 3KUH . "Crystal Structure Of E. Coli Hppk(H115a) In Complex With Ampcpp And Hp" . . . . . 100.00 158 99.37 99.37 8.58e-110 . . . . 4300 1 35 no PDB 3UD5 . "Crystal Structure Of E. Coli Hppk In Complex With Bisubstrate Analogue Inhibitor J1a" . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 36 no PDB 3UDE . "Crystal Structure Of E. Coli Hppk In Complex With Bisubstrate Analogue Inhibitor J1b" . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 37 no PDB 3UDV . "Crystal Structure Of E. Coli Hppk In Complex With Bisubstrate Analogue Inhibitor J1c" . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 38 no PDB 4F7V . "Crystal Structure Of E. Coli Hppk In Complex With Bisubstrate Analogue Inhibitor J1d (Hp26)" . . . . . 100.00 158 100.00 100.00 5.22e-111 . . . . 4300 1 39 no PDB 4M5G . "The Identification, Analysis And Structure-based Development Of Novel Inhibitors Of 6-hydroxymethyl-7,8-dihydropterin Pyrophosp" . . . . . 100.00 162 100.00 100.00 4.51e-111 . . . . 4300 1 40 no PDB 4M5H . "The Identification, Analysis And Structure-based Development Of Novel Inhibitors Of 6-hydroxymethyl-7,8-dihydropterin Pyrophosp" . . . . . 100.00 162 100.00 100.00 4.51e-111 . . . . 4300 1 41 no PDB 4M5I . "The Identification, Analysis And Structure-based Development Of Novel Inhibitors Of 6-hydroxymethyl-7,8-dihydropterin Pyrophosp" . . . . . 100.00 162 100.00 100.00 4.51e-111 . . . . 4300 1 42 no PDB 4M5J . "The Identification, Analysis And Structure-based Development Of Novel Inhibitors Of 6-hydroxymethyl-7,8-dihydropterin Pyrophosp" . . . . . 100.00 162 100.00 100.00 4.51e-111 . . . . 4300 1 43 no PDB 4M5K . "The Identification, Analysis And Structure-based Development Of Novel Inhibitors Of 6-hydroxymethyl-7,8-dihydropterin Pyrophosp" . . . . . 100.00 162 100.00 100.00 4.51e-111 . . . . 4300 1 44 no PDB 4M5L . "The Identification, Analysis And Structure-based Development Of Novel Inhibitors Of 6-hydroxymethyl-7,8-dihydropterin Pyrophosp" . . . . . 100.00 162 100.00 100.00 4.51e-111 . . . . 4300 1 45 no PDB 4M5M . "The Identification, Analysis And Structure-based Development Of Novel Inhibitors Of 6-hydroxymethyl-7,8-dihydropterin Pyrophosp" . . . . . 100.00 162 100.00 100.00 4.51e-111 . . . . 4300 1 46 no PDB 4M5N . "The Identification, Analysis And Structure-based Development Of Novel Inhibitors Of 6-hydroxymethyl-7,8-dihydropterin Pyrophosp" . . . . . 100.00 162 100.00 100.00 4.51e-111 . . . . 4300 1 47 no DBJ BAB96719 . "2-amino-4-hydroxy-6- hydroxymethyldihyropteridine pyrophosphokinase [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 159 100.00 100.00 5.65e-111 . . . . 4300 1 48 no DBJ BAJ41992 . "2-amino-4-hydroxy-6-hydroxymethyldihyropteridinepyrophosphokinase [Escherichia coli DH1]" . . . . . 100.00 159 99.37 100.00 2.21e-110 . . . . 4300 1 49 no DBJ BAL37452 . "2-amino-4-hydroxy-6-hydroxymethyldihyropteridine pyrophosphokinase [Escherichia coli str. K-12 substr. MDS42]" . . . . . 100.00 159 100.00 100.00 5.65e-111 . . . . 4300 1 50 no EMBL CBI99639 . "2-amino-4-hydroxy-6-hydroxymethyldihyropteridin e pyrophosphokinase [Escherichia coli ETEC H10407]" . . . . . 100.00 159 100.00 100.00 5.65e-111 . . . . 4300 1 51 no EMBL CCP97244 . "2-amino-4-hydroxy-6-hydroxymethyldihydropteridinepyrophosphokinase [Escherichia coli O10:K5(L):H4 str. ATCC 23506]" . . . . . 100.00 159 100.00 100.00 5.65e-111 . . . . 4300 1 52 no EMBL CDJ70723 . "2-amino-4-hydroxy-6-hydroxymethyldihydropteridinepyrophosphokinase [Escherichia coli str. K-12 substr. MC4100]" . . . . . 100.00 159 100.00 100.00 5.65e-111 . . . . 4300 1 53 no EMBL CDK83585 . "2-amino-4-hydroxy-6-hydroxymethyldihydropteridinepyrophosphokinase [Escherichia coli IS25]" . . . . . 100.00 159 100.00 100.00 5.65e-111 . . . . 4300 1 54 no EMBL CDY54783 . "6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase [Escherichia coli]" . . . . . 100.00 159 100.00 100.00 5.65e-111 . . . . 4300 1 55 no GB AAB53446 . "hydroxymethyldihydropterin pyrophosphokinase [Escherichia coli]" . . . . . 100.00 159 100.00 100.00 5.65e-111 . . . . 4300 1 56 no GB AAC73253 . "2-amino-4-hydroxy-6-hydroxymethyldihyropteridine pyrophosphokinase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 159 100.00 100.00 5.65e-111 . . . . 4300 1 57 no GB ACA79131 . "2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase [Escherichia coli ATCC 8739]" . . . . . 93.04 159 97.96 98.64 1.59e-98 . . . . 4300 1 58 no GB ACB01321 . "2-amino-4-hydroxy-6-hydroxymethyldihyropteridine pyrophosphokinase [Escherichia coli str. K-12 substr. DH10B]" . . . . . 100.00 159 100.00 100.00 5.65e-111 . . . . 4300 1 59 no GB ACR61761 . "2-amino-4-hydroxy-6-hydroxymethyldihyropteridine pyrophosphokinase [Escherichia coli BW2952]" . . . . . 100.00 159 100.00 100.00 5.65e-111 . . . . 4300 1 60 no REF NP_414684 . "2-amino-4-hydroxy-6-hydroxymethyldihyropteridine pyrophosphokinase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 159 100.00 100.00 5.65e-111 . . . . 4300 1 61 no REF WP_000215127 . "2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase [Escherichia coli]" . . . . . 100.00 159 98.10 99.37 1.44e-109 . . . . 4300 1 62 no REF WP_000215131 . "2-amino-4-hydroxy-6-hydroxymethyldihyropteridine pyrophosphokinase [Escherichia coli]" . . . . . 100.00 159 98.10 98.10 2.11e-108 . . . . 4300 1 63 no REF WP_000215137 . "MULTISPECIES: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase [Enterobacteriaceae]" . . . . . 93.04 159 97.96 98.64 1.59e-98 . . . . 4300 1 64 no REF WP_000215138 . "2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase [Escherichia coli]" . . . . . 100.00 159 98.73 100.00 2.50e-110 . . . . 4300 1 65 no SP P26281 . "RecName: Full=2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase; AltName: Full=6-hydroxymethyl-7,8-dihydropte" . . . . . 100.00 159 100.00 100.00 5.65e-111 . . . . 4300 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase' common 4300 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 . THR . 4300 1 2 . VAL . 4300 1 3 . ALA . 4300 1 4 . TYR . 4300 1 5 . ILE . 4300 1 6 . ALA . 4300 1 7 . ILE . 4300 1 8 . GLY . 4300 1 9 . SER . 4300 1 10 . ASN . 4300 1 11 . LEU . 4300 1 12 . ALA . 4300 1 13 . SER . 4300 1 14 . PRO . 4300 1 15 . LEU . 4300 1 16 . GLU . 4300 1 17 . GLN . 4300 1 18 . VAL . 4300 1 19 . ASN . 4300 1 20 . ALA . 4300 1 21 . ALA . 4300 1 22 . LEU . 4300 1 23 . LYS . 4300 1 24 . ALA . 4300 1 25 . LEU . 4300 1 26 . GLY . 4300 1 27 . ASP . 4300 1 28 . ILE . 4300 1 29 . PRO . 4300 1 30 . GLU . 4300 1 31 . SER . 4300 1 32 . HIS . 4300 1 33 . ILE . 4300 1 34 . LEU . 4300 1 35 . THR . 4300 1 36 . VAL . 4300 1 37 . SER . 4300 1 38 . SER . 4300 1 39 . PHE . 4300 1 40 . TYR . 4300 1 41 . ARG . 4300 1 42 . THR . 4300 1 43 . PRO . 4300 1 44 . PRO . 4300 1 45 . LEU . 4300 1 46 . GLY . 4300 1 47 . PRO . 4300 1 48 . GLN . 4300 1 49 . ASP . 4300 1 50 . GLN . 4300 1 51 . PRO . 4300 1 52 . ASP . 4300 1 53 . TYR . 4300 1 54 . LEU . 4300 1 55 . ASN . 4300 1 56 . ALA . 4300 1 57 . ALA . 4300 1 58 . VAL . 4300 1 59 . ALA . 4300 1 60 . LEU . 4300 1 61 . GLU . 4300 1 62 . THR . 4300 1 63 . SER . 4300 1 64 . LEU . 4300 1 65 . ALA . 4300 1 66 . PRO . 4300 1 67 . GLU . 4300 1 68 . GLU . 4300 1 69 . LEU . 4300 1 70 . LEU . 4300 1 71 . ASN . 4300 1 72 . HIS . 4300 1 73 . THR . 4300 1 74 . GLN . 4300 1 75 . ARG . 4300 1 76 . ILE . 4300 1 77 . GLU . 4300 1 78 . LEU . 4300 1 79 . GLN . 4300 1 80 . GLN . 4300 1 81 . GLY . 4300 1 82 . ARG . 4300 1 83 . VAL . 4300 1 84 . ARG . 4300 1 85 . LYS . 4300 1 86 . ALA . 4300 1 87 . GLU . 4300 1 88 . ARG . 4300 1 89 . TRP . 4300 1 90 . GLY . 4300 1 91 . PRO . 4300 1 92 . ARG . 4300 1 93 . THR . 4300 1 94 . LEU . 4300 1 95 . ASP . 4300 1 96 . LEU . 4300 1 97 . ASP . 4300 1 98 . ILE . 4300 1 99 . MET . 4300 1 100 . LEU . 4300 1 101 . PHE . 4300 1 102 . GLY . 4300 1 103 . ASN . 4300 1 104 . GLU . 4300 1 105 . VAL . 4300 1 106 . ILE . 4300 1 107 . ASN . 4300 1 108 . THR . 4300 1 109 . GLU . 4300 1 110 . ARG . 4300 1 111 . LEU . 4300 1 112 . THR . 4300 1 113 . VAL . 4300 1 114 . PRO . 4300 1 115 . HIS . 4300 1 116 . TYR . 4300 1 117 . ASP . 4300 1 118 . MET . 4300 1 119 . LYS . 4300 1 120 . ASN . 4300 1 121 . ARG . 4300 1 122 . GLY . 4300 1 123 . PHE . 4300 1 124 . MET . 4300 1 125 . LEU . 4300 1 126 . TRP . 4300 1 127 . PRO . 4300 1 128 . LEU . 4300 1 129 . PHE . 4300 1 130 . GLU . 4300 1 131 . ILE . 4300 1 132 . ALA . 4300 1 133 . PRO . 4300 1 134 . GLU . 4300 1 135 . LEU . 4300 1 136 . VAL . 4300 1 137 . PHE . 4300 1 138 . PRO . 4300 1 139 . ASP . 4300 1 140 . GLY . 4300 1 141 . GLU . 4300 1 142 . MET . 4300 1 143 . LEU . 4300 1 144 . ARG . 4300 1 145 . GLN . 4300 1 146 . ILE . 4300 1 147 . LEU . 4300 1 148 . HIS . 4300 1 149 . THR . 4300 1 150 . ARG . 4300 1 151 . ALA . 4300 1 152 . PHE . 4300 1 153 . ASP . 4300 1 154 . LYS . 4300 1 155 . LEU . 4300 1 156 . ASN . 4300 1 157 . LYS . 4300 1 158 . TRP . 4300 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 . THR 1 1 4300 1 . VAL 2 2 4300 1 . ALA 3 3 4300 1 . TYR 4 4 4300 1 . ILE 5 5 4300 1 . ALA 6 6 4300 1 . ILE 7 7 4300 1 . GLY 8 8 4300 1 . SER 9 9 4300 1 . ASN 10 10 4300 1 . LEU 11 11 4300 1 . ALA 12 12 4300 1 . SER 13 13 4300 1 . PRO 14 14 4300 1 . LEU 15 15 4300 1 . GLU 16 16 4300 1 . GLN 17 17 4300 1 . VAL 18 18 4300 1 . ASN 19 19 4300 1 . ALA 20 20 4300 1 . ALA 21 21 4300 1 . LEU 22 22 4300 1 . LYS 23 23 4300 1 . ALA 24 24 4300 1 . LEU 25 25 4300 1 . GLY 26 26 4300 1 . ASP 27 27 4300 1 . ILE 28 28 4300 1 . PRO 29 29 4300 1 . GLU 30 30 4300 1 . SER 31 31 4300 1 . HIS 32 32 4300 1 . ILE 33 33 4300 1 . LEU 34 34 4300 1 . THR 35 35 4300 1 . VAL 36 36 4300 1 . SER 37 37 4300 1 . SER 38 38 4300 1 . PHE 39 39 4300 1 . TYR 40 40 4300 1 . ARG 41 41 4300 1 . THR 42 42 4300 1 . PRO 43 43 4300 1 . PRO 44 44 4300 1 . LEU 45 45 4300 1 . GLY 46 46 4300 1 . PRO 47 47 4300 1 . GLN 48 48 4300 1 . ASP 49 49 4300 1 . GLN 50 50 4300 1 . PRO 51 51 4300 1 . ASP 52 52 4300 1 . TYR 53 53 4300 1 . LEU 54 54 4300 1 . ASN 55 55 4300 1 . ALA 56 56 4300 1 . ALA 57 57 4300 1 . VAL 58 58 4300 1 . ALA 59 59 4300 1 . LEU 60 60 4300 1 . GLU 61 61 4300 1 . THR 62 62 4300 1 . SER 63 63 4300 1 . LEU 64 64 4300 1 . ALA 65 65 4300 1 . PRO 66 66 4300 1 . GLU 67 67 4300 1 . GLU 68 68 4300 1 . LEU 69 69 4300 1 . LEU 70 70 4300 1 . ASN 71 71 4300 1 . HIS 72 72 4300 1 . THR 73 73 4300 1 . GLN 74 74 4300 1 . ARG 75 75 4300 1 . ILE 76 76 4300 1 . GLU 77 77 4300 1 . LEU 78 78 4300 1 . GLN 79 79 4300 1 . GLN 80 80 4300 1 . GLY 81 81 4300 1 . ARG 82 82 4300 1 . VAL 83 83 4300 1 . ARG 84 84 4300 1 . LYS 85 85 4300 1 . ALA 86 86 4300 1 . GLU 87 87 4300 1 . ARG 88 88 4300 1 . TRP 89 89 4300 1 . GLY 90 90 4300 1 . PRO 91 91 4300 1 . ARG 92 92 4300 1 . THR 93 93 4300 1 . LEU 94 94 4300 1 . ASP 95 95 4300 1 . LEU 96 96 4300 1 . ASP 97 97 4300 1 . ILE 98 98 4300 1 . MET 99 99 4300 1 . LEU 100 100 4300 1 . PHE 101 101 4300 1 . GLY 102 102 4300 1 . ASN 103 103 4300 1 . GLU 104 104 4300 1 . VAL 105 105 4300 1 . ILE 106 106 4300 1 . ASN 107 107 4300 1 . THR 108 108 4300 1 . GLU 109 109 4300 1 . ARG 110 110 4300 1 . LEU 111 111 4300 1 . THR 112 112 4300 1 . VAL 113 113 4300 1 . PRO 114 114 4300 1 . HIS 115 115 4300 1 . TYR 116 116 4300 1 . ASP 117 117 4300 1 . MET 118 118 4300 1 . LYS 119 119 4300 1 . ASN 120 120 4300 1 . ARG 121 121 4300 1 . GLY 122 122 4300 1 . PHE 123 123 4300 1 . MET 124 124 4300 1 . LEU 125 125 4300 1 . TRP 126 126 4300 1 . PRO 127 127 4300 1 . LEU 128 128 4300 1 . PHE 129 129 4300 1 . GLU 130 130 4300 1 . ILE 131 131 4300 1 . ALA 132 132 4300 1 . PRO 133 133 4300 1 . GLU 134 134 4300 1 . LEU 135 135 4300 1 . VAL 136 136 4300 1 . PHE 137 137 4300 1 . PRO 138 138 4300 1 . ASP 139 139 4300 1 . GLY 140 140 4300 1 . GLU 141 141 4300 1 . MET 142 142 4300 1 . LEU 143 143 4300 1 . ARG 144 144 4300 1 . GLN 145 145 4300 1 . ILE 146 146 4300 1 . LEU 147 147 4300 1 . HIS 148 148 4300 1 . THR 149 149 4300 1 . ARG 150 150 4300 1 . ALA 151 151 4300 1 . PHE 152 152 4300 1 . ASP 153 153 4300 1 . LYS 154 154 4300 1 . LEU 155 155 4300 1 . ASN 156 156 4300 1 . LYS 157 157 4300 1 . TRP 158 158 4300 1 stop_ save_ save_AMPPCP _Entity.Sf_category entity _Entity.Sf_framecode AMPPCP _Entity.Entry_ID 4300 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'beta gamma-methyleneadenosine 5'triphosphate' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID AMPPCP _Entity.Nonpolymer_comp_label $chem_comp_AMPPCP _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'beta gamma-methyleneadenosine 5'triphosphate' common 4300 2 AMPPCP abbreviation 4300 2 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 . AMPPCP . 4300 2 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 . AMPPCP 1 1 4300 2 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 4300 _Entity.ID 3 _Entity.BMRB_code MG _Entity.Name 'MAGNESIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 4300 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 4300 3 MG 'Three letter code' 4300 3 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 MG $chem_comp_MG 4300 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 MG MG 4300 3 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 4300 _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 $HPPK . 562 . . 'Escherichia coli' E.coli . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4300 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 4300 _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 $HPPK . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)plysS . . . . . . . . . . . . plasmid . . pET-17B . . . . . . 4300 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_AMPPCP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AMPPCP _Chem_comp.Entry_ID 4300 _Chem_comp.ID AMPPCP _Chem_comp.Provenance . _Chem_comp.Name 'beta gamma-methyleneadenosine 5'triphosphate' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula C11H16N5O12P3Na2 _Chem_comp.Formula_weight . _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID 'beta gamma-methyleneadenosine 5'triphosphate' common 4300 AMPPCP AMPPCP abbreviation 4300 AMPPCP stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 4300 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 4300 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 4300 MG [Mg+2] SMILES ACDLabs 10.04 4300 MG [Mg++] SMILES CACTVS 3.341 4300 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 4300 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 4300 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4300 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 4300 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4300 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG MG MG MG . MG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4300 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4300 _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 '6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase' [U-15N] . . 1 $HPPK . . 1.5 . . mM . . . . 4300 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 4300 1 3 'B,r-Methyleneadenosine 5`-triphosphate' . . . . . . . 8 . . mM . . . . 4300 1 4 'Magnesium chloride' . . . . . . . 40 . . mM . . . . 4300 1 5 H2O . . . . . . . 90 . . % . . . . 4300 1 6 D2O . . . . . . . 10 . . % . . . . 4300 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4300 _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 '6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase' '[U-15N; U-13C]' . . 1 $HPPK . . 1.5 . . mM . . . . 4300 2 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 4300 2 3 'B,r-Methyleneadenosine 5`-triphosphate' . . . . . . . 8 . . mM . . . . 4300 2 4 'Magnesium chloride' . . . . . . . 40 . . mM . . . . 4300 2 5 H2O . . . . . . . 90 . . % . . . . 4300 2 6 D2O . . . . . . . 10 . . % . . . . 4300 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 4300 _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* 7.4 0.2 na 4300 1 temperature 298 0.2 K 4300 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4300 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer . _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength . save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4300 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . . . . . . 1 $sample_conditions_1 . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 4300 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 4300 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H20 protons . . . . ppm 4.7 . . . . . . 1 $entry_citation . . 1 $entry_citation 4300 1 C 13 'sodium acetate' 'methyl carbon' . . . . ppm 25.85 . . . . . . 1 $entry_citation . . 1 $entry_citation 4300 1 N 15 'ammonium chloride' nitrogen . . . . ppm 78.98 . . . . . . 1 $entry_citation . . 1 $entry_citation 4300 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 4300 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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_1 . 4300 1 . . 2 $sample_2 . 4300 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 THR HA H 1 3.51 . . 9 . . . . . . . . 4300 1 2 . 1 1 1 1 THR HB H 1 3.43 . . 9 . . . . . . . . 4300 1 3 . 1 1 1 1 THR HG1 H 1 0.43 . . 9 . . . . . . . . 4300 1 4 . 1 1 1 1 THR CA C 13 62.97 . . 9 . . . . . . . . 4300 1 5 . 1 1 1 1 THR CB C 13 70.4 . . 9 . . . . . . . . 4300 1 6 . 1 1 2 2 VAL H H 1 8.65 . . 1 . . . . . . . . 4300 1 7 . 1 1 2 2 VAL HA H 1 4.11 . . 1 . . . . . . . . 4300 1 8 . 1 1 2 2 VAL HB H 1 1.66 . . 1 . . . . . . . . 4300 1 9 . 1 1 2 2 VAL HG11 H 1 0.67 . . 1 . . . . . . . . 4300 1 10 . 1 1 2 2 VAL HG12 H 1 0.67 . . 1 . . . . . . . . 4300 1 11 . 1 1 2 2 VAL HG13 H 1 0.67 . . 1 . . . . . . . . 4300 1 12 . 1 1 2 2 VAL HG21 H 1 0.04 . . 1 . . . . . . . . 4300 1 13 . 1 1 2 2 VAL HG22 H 1 0.04 . . 1 . . . . . . . . 4300 1 14 . 1 1 2 2 VAL HG23 H 1 0.04 . . 1 . . . . . . . . 4300 1 15 . 1 1 2 2 VAL CA C 13 63.9 . . 1 . . . . . . . . 4300 1 16 . 1 1 2 2 VAL N N 15 130.84 . . 1 . . . . . . . . 4300 1 17 . 1 1 3 3 ALA H H 1 9.16 . . 1 . . . . . . . . 4300 1 18 . 1 1 3 3 ALA HA H 1 4.88 . . 1 . . . . . . . . 4300 1 19 . 1 1 3 3 ALA HB1 H 1 1.12 . . 1 . . . . . . . . 4300 1 20 . 1 1 3 3 ALA HB2 H 1 1.12 . . 1 . . . . . . . . 4300 1 21 . 1 1 3 3 ALA HB3 H 1 1.12 . . 1 . . . . . . . . 4300 1 22 . 1 1 3 3 ALA CA C 13 49.91 . . 1 . . . . . . . . 4300 1 23 . 1 1 3 3 ALA CB C 13 21.78 . . 1 . . . . . . . . 4300 1 24 . 1 1 3 3 ALA N N 15 134.98 . . 1 . . . . . . . . 4300 1 25 . 1 1 4 4 TYR H H 1 8.47 . . 1 . . . . . . . . 4300 1 26 . 1 1 4 4 TYR HA H 1 5.52 . . 1 . . . . . . . . 4300 1 27 . 1 1 4 4 TYR HB2 H 1 2.63 . . 1 . . . . . . . . 4300 1 28 . 1 1 4 4 TYR HB3 H 1 2.63 . . 1 . . . . . . . . 4300 1 29 . 1 1 4 4 TYR CA C 13 57.7 . . 1 . . . . . . . . 4300 1 30 . 1 1 4 4 TYR CB C 13 41.1 . . 1 . . . . . . . . 4300 1 31 . 1 1 4 4 TYR N N 15 121.17 . . 1 . . . . . . . . 4300 1 32 . 1 1 5 5 ILE H H 1 9.41 . . 1 . . . . . . . . 4300 1 33 . 1 1 5 5 ILE HA H 1 4.83 . . 1 . . . . . . . . 4300 1 34 . 1 1 5 5 ILE HB H 1 1.87 . . 1 . . . . . . . . 4300 1 35 . 1 1 5 5 ILE HG12 H 1 1.64 . . 1 . . . . . . . . 4300 1 36 . 1 1 5 5 ILE HG13 H 1 1.44 . . 1 . . . . . . . . 4300 1 37 . 1 1 5 5 ILE HG21 H 1 0.87 . . 1 . . . . . . . . 4300 1 38 . 1 1 5 5 ILE HG22 H 1 0.87 . . 1 . . . . . . . . 4300 1 39 . 1 1 5 5 ILE HG23 H 1 0.87 . . 1 . . . . . . . . 4300 1 40 . 1 1 5 5 ILE HD11 H 1 0.73 . . 1 . . . . . . . . 4300 1 41 . 1 1 5 5 ILE HD12 H 1 0.73 . . 1 . . . . . . . . 4300 1 42 . 1 1 5 5 ILE HD13 H 1 0.73 . . 1 . . . . . . . . 4300 1 43 . 1 1 5 5 ILE CA C 13 60.5 . . 1 . . . . . . . . 4300 1 44 . 1 1 5 5 ILE CB C 13 42.74 . . 1 . . . . . . . . 4300 1 45 . 1 1 5 5 ILE CG2 C 13 17.84 . . 1 . . . . . . . . 4300 1 46 . 1 1 5 5 ILE CD1 C 13 15.22 . . 1 . . . . . . . . 4300 1 47 . 1 1 5 5 ILE N N 15 128.2 . . 1 . . . . . . . . 4300 1 48 . 1 1 6 6 ALA H H 1 9.9 . . 1 . . . . . . . . 4300 1 49 . 1 1 6 6 ALA HA H 1 4.97 . . 1 . . . . . . . . 4300 1 50 . 1 1 6 6 ALA HB1 H 1 1.68 . . 1 . . . . . . . . 4300 1 51 . 1 1 6 6 ALA HB2 H 1 1.68 . . 1 . . . . . . . . 4300 1 52 . 1 1 6 6 ALA HB3 H 1 1.68 . . 1 . . . . . . . . 4300 1 53 . 1 1 6 6 ALA CA C 13 52.08 . . 1 . . . . . . . . 4300 1 54 . 1 1 6 6 ALA CB C 13 21.77 . . 1 . . . . . . . . 4300 1 55 . 1 1 6 6 ALA N N 15 134.31 . . 1 . . . . . . . . 4300 1 56 . 1 1 7 7 ILE H H 1 8.72 . . 1 . . . . . . . . 4300 1 57 . 1 1 7 7 ILE HA H 1 4.76 . . 1 . . . . . . . . 4300 1 58 . 1 1 7 7 ILE HB H 1 1.34 . . 1 . . . . . . . . 4300 1 59 . 1 1 7 7 ILE HG12 H 1 1.44 . . 1 . . . . . . . . 4300 1 60 . 1 1 7 7 ILE HG13 H 1 1.44 . . 1 . . . . . . . . 4300 1 61 . 1 1 7 7 ILE HG21 H 1 0.57 . . 1 . . . . . . . . 4300 1 62 . 1 1 7 7 ILE HG22 H 1 0.57 . . 1 . . . . . . . . 4300 1 63 . 1 1 7 7 ILE HG23 H 1 0.57 . . 1 . . . . . . . . 4300 1 64 . 1 1 7 7 ILE HD11 H 1 0.69 . . 1 . . . . . . . . 4300 1 65 . 1 1 7 7 ILE HD12 H 1 0.69 . . 1 . . . . . . . . 4300 1 66 . 1 1 7 7 ILE HD13 H 1 0.69 . . 1 . . . . . . . . 4300 1 67 . 1 1 7 7 ILE CA C 13 60.7 . . 1 . . . . . . . . 4300 1 68 . 1 1 7 7 ILE CB C 13 41.6 . . 1 . . . . . . . . 4300 1 69 . 1 1 7 7 ILE N N 15 123.85 . . 1 . . . . . . . . 4300 1 70 . 1 1 8 8 GLY H H 1 8.74 . . 1 . . . . . . . . 4300 1 71 . 1 1 8 8 GLY HA2 H 1 5.68 . . 1 . . . . . . . . 4300 1 72 . 1 1 8 8 GLY HA3 H 1 3.63 . . 1 . . . . . . . . 4300 1 73 . 1 1 8 8 GLY CA C 13 45.45 . . 1 . . . . . . . . 4300 1 74 . 1 1 8 8 GLY N N 15 116.09 . . 1 . . . . . . . . 4300 1 75 . 1 1 9 9 SER H H 1 8.5 . . 1 . . . . . . . . 4300 1 76 . 1 1 9 9 SER N N 15 118.45 . . 1 . . . . . . . . 4300 1 77 . 1 1 10 10 ASN H H 1 8.09 . . 1 . . . . . . . . 4300 1 78 . 1 1 10 10 ASN N N 15 126.88 . . 1 . . . . . . . . 4300 1 79 . 1 1 11 11 LEU H H 1 7.26 . . 1 . . . . . . . . 4300 1 80 . 1 1 11 11 LEU N N 15 122.16 . . 1 . . . . . . . . 4300 1 81 . 1 1 12 12 ALA H H 1 8.16 . . 1 . . . . . . . . 4300 1 82 . 1 1 12 12 ALA N N 15 126.53 . . 1 . . . . . . . . 4300 1 83 . 1 1 13 13 SER H H 1 7.56 . . 1 . . . . . . . . 4300 1 84 . 1 1 13 13 SER N N 15 110.78 . . 1 . . . . . . . . 4300 1 85 . 1 1 15 15 LEU H H 1 8.08 . . 1 . . . . . . . . 4300 1 86 . 1 1 15 15 LEU HA H 1 3.37 . . 1 . . . . . . . . 4300 1 87 . 1 1 15 15 LEU HB2 H 1 1.55 . . 2 . . . . . . . . 4300 1 88 . 1 1 15 15 LEU HB3 H 1 1.35 . . 2 . . . . . . . . 4300 1 89 . 1 1 15 15 LEU HG H 1 0.85 . . 1 . . . . . . . . 4300 1 90 . 1 1 15 15 LEU HD11 H 1 0.56 . . 1 . . . . . . . . 4300 1 91 . 1 1 15 15 LEU HD12 H 1 0.56 . . 1 . . . . . . . . 4300 1 92 . 1 1 15 15 LEU HD13 H 1 0.56 . . 1 . . . . . . . . 4300 1 93 . 1 1 15 15 LEU HD21 H 1 0.56 . . 1 . . . . . . . . 4300 1 94 . 1 1 15 15 LEU HD22 H 1 0.56 . . 1 . . . . . . . . 4300 1 95 . 1 1 15 15 LEU HD23 H 1 0.56 . . 1 . . . . . . . . 4300 1 96 . 1 1 15 15 LEU CA C 13 60.25 . . 1 . . . . . . . . 4300 1 97 . 1 1 15 15 LEU CD1 C 13 24.36 . . 1 . . . . . . . . 4300 1 98 . 1 1 15 15 LEU CD2 C 13 24.36 . . 1 . . . . . . . . 4300 1 99 . 1 1 15 15 LEU N N 15 122.99 . . 1 . . . . . . . . 4300 1 100 . 1 1 16 16 GLU H H 1 8.12 . . 1 . . . . . . . . 4300 1 101 . 1 1 16 16 GLU N N 15 119.43 . . 1 . . . . . . . . 4300 1 102 . 1 1 17 17 GLN H H 1 8.1 . . 1 . . . . . . . . 4300 1 103 . 1 1 17 17 GLN N N 15 124.05 . . 1 . . . . . . . . 4300 1 104 . 1 1 18 18 VAL H H 1 8.36 . . 1 . . . . . . . . 4300 1 105 . 1 1 18 18 VAL HA H 1 3.23 . . 1 . . . . . . . . 4300 1 106 . 1 1 18 18 VAL HB H 1 1.51 . . 1 . . . . . . . . 4300 1 107 . 1 1 18 18 VAL HG11 H 1 0.55 . . 1 . . . . . . . . 4300 1 108 . 1 1 18 18 VAL HG12 H 1 0.55 . . 1 . . . . . . . . 4300 1 109 . 1 1 18 18 VAL HG13 H 1 0.55 . . 1 . . . . . . . . 4300 1 110 . 1 1 18 18 VAL HG21 H 1 0.23 . . 1 . . . . . . . . 4300 1 111 . 1 1 18 18 VAL HG22 H 1 0.23 . . 1 . . . . . . . . 4300 1 112 . 1 1 18 18 VAL HG23 H 1 0.23 . . 1 . . . . . . . . 4300 1 113 . 1 1 18 18 VAL CA C 13 68.09 . . 1 . . . . . . . . 4300 1 114 . 1 1 18 18 VAL CG1 C 13 24.5 . . 1 . . . . . . . . 4300 1 115 . 1 1 18 18 VAL CG2 C 13 21.45 . . 1 . . . . . . . . 4300 1 116 . 1 1 18 18 VAL N N 15 122.03 . . 1 . . . . . . . . 4300 1 117 . 1 1 19 19 ASN H H 1 8.38 . . 1 . . . . . . . . 4300 1 118 . 1 1 19 19 ASN N N 15 120.34 . . 1 . . . . . . . . 4300 1 119 . 1 1 20 20 ALA H H 1 8.22 . . 1 . . . . . . . . 4300 1 120 . 1 1 20 20 ALA N N 15 126.88 . . 1 . . . . . . . . 4300 1 121 . 1 1 21 21 ALA H H 1 8.53 . . 1 . . . . . . . . 4300 1 122 . 1 1 21 21 ALA N N 15 125.62 . . 1 . . . . . . . . 4300 1 123 . 1 1 22 22 LEU H H 1 8.45 . . 1 . . . . . . . . 4300 1 124 . 1 1 22 22 LEU HA H 1 3.85 . . 1 . . . . . . . . 4300 1 125 . 1 1 22 22 LEU HB2 H 1 1.98 . . 2 . . . . . . . . 4300 1 126 . 1 1 22 22 LEU HB3 H 1 1.34 . . 2 . . . . . . . . 4300 1 127 . 1 1 22 22 LEU HG H 1 1.75 . . 1 . . . . . . . . 4300 1 128 . 1 1 22 22 LEU HD11 H 1 0.99 . . 1 . . . . . . . . 4300 1 129 . 1 1 22 22 LEU HD12 H 1 0.99 . . 1 . . . . . . . . 4300 1 130 . 1 1 22 22 LEU HD13 H 1 0.99 . . 1 . . . . . . . . 4300 1 131 . 1 1 22 22 LEU HD21 H 1 0.75 . . 1 . . . . . . . . 4300 1 132 . 1 1 22 22 LEU HD22 H 1 0.75 . . 1 . . . . . . . . 4300 1 133 . 1 1 22 22 LEU HD23 H 1 0.75 . . 1 . . . . . . . . 4300 1 134 . 1 1 22 22 LEU CA C 13 59.16 . . 1 . . . . . . . . 4300 1 135 . 1 1 22 22 LEU CB C 13 42.5 . . 1 . . . . . . . . 4300 1 136 . 1 1 22 22 LEU N N 15 120.21 . . 1 . . . . . . . . 4300 1 137 . 1 1 23 23 LYS H H 1 7.69 . . 1 . . . . . . . . 4300 1 138 . 1 1 23 23 LYS HA H 1 3.88 . . 1 . . . . . . . . 4300 1 139 . 1 1 23 23 LYS HB2 H 1 1.85 . . 1 . . . . . . . . 4300 1 140 . 1 1 23 23 LYS HB3 H 1 1.85 . . 1 . . . . . . . . 4300 1 141 . 1 1 23 23 LYS HG2 H 1 1.43 . . 2 . . . . . . . . 4300 1 142 . 1 1 23 23 LYS HG3 H 1 1.33 . . 2 . . . . . . . . 4300 1 143 . 1 1 23 23 LYS HD2 H 1 1.59 . . 1 . . . . . . . . 4300 1 144 . 1 1 23 23 LYS HD3 H 1 1.59 . . 1 . . . . . . . . 4300 1 145 . 1 1 23 23 LYS HE2 H 1 2.89 . . 1 . . . . . . . . 4300 1 146 . 1 1 23 23 LYS HE3 H 1 2.89 . . 1 . . . . . . . . 4300 1 147 . 1 1 23 23 LYS CA C 13 60.13 . . 1 . . . . . . . . 4300 1 148 . 1 1 23 23 LYS CG C 13 25.6 . . 1 . . . . . . . . 4300 1 149 . 1 1 23 23 LYS N N 15 122.7 . . 1 . . . . . . . . 4300 1 150 . 1 1 24 24 ALA H H 1 7.78 . . 1 . . . . . . . . 4300 1 151 . 1 1 24 24 ALA HA H 1 4.08 . . 1 . . . . . . . . 4300 1 152 . 1 1 24 24 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 4300 1 153 . 1 1 24 24 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 4300 1 154 . 1 1 24 24 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 4300 1 155 . 1 1 24 24 ALA CA C 13 55.86 . . 1 . . . . . . . . 4300 1 156 . 1 1 24 24 ALA N N 15 122.96 . . 1 . . . . . . . . 4300 1 157 . 1 1 25 25 LEU H H 1 8.84 . . 1 . . . . . . . . 4300 1 158 . 1 1 25 25 LEU HA H 1 3.77 . . 1 . . . . . . . . 4300 1 159 . 1 1 25 25 LEU HB2 H 1 1.99 . . 2 . . . . . . . . 4300 1 160 . 1 1 25 25 LEU HB3 H 1 1.15 . . 2 . . . . . . . . 4300 1 161 . 1 1 25 25 LEU HG H 1 1.82 . . 1 . . . . . . . . 4300 1 162 . 1 1 25 25 LEU HD11 H 1 0.72 . . 1 . . . . . . . . 4300 1 163 . 1 1 25 25 LEU HD12 H 1 0.72 . . 1 . . . . . . . . 4300 1 164 . 1 1 25 25 LEU HD13 H 1 0.72 . . 1 . . . . . . . . 4300 1 165 . 1 1 25 25 LEU HD21 H 1 0.72 . . 1 . . . . . . . . 4300 1 166 . 1 1 25 25 LEU HD22 H 1 0.72 . . 1 . . . . . . . . 4300 1 167 . 1 1 25 25 LEU HD23 H 1 0.72 . . 1 . . . . . . . . 4300 1 168 . 1 1 25 25 LEU CA C 13 58.26 . . 1 . . . . . . . . 4300 1 169 . 1 1 25 25 LEU CB C 13 43.01 . . 1 . . . . . . . . 4300 1 170 . 1 1 25 25 LEU CD1 C 13 24.5 . . 1 . . . . . . . . 4300 1 171 . 1 1 25 25 LEU CD2 C 13 24.5 . . 1 . . . . . . . . 4300 1 172 . 1 1 25 25 LEU N N 15 123.71 . . 1 . . . . . . . . 4300 1 173 . 1 1 26 26 GLY H H 1 7.49 . . 1 . . . . . . . . 4300 1 174 . 1 1 26 26 GLY HA2 H 1 3.79 . . 1 . . . . . . . . 4300 1 175 . 1 1 26 26 GLY HA3 H 1 3.79 . . 1 . . . . . . . . 4300 1 176 . 1 1 26 26 GLY CA C 13 46.78 . . 1 . . . . . . . . 4300 1 177 . 1 1 26 26 GLY N N 15 102.56 . . 1 . . . . . . . . 4300 1 178 . 1 1 27 27 ASP H H 1 7.21 . . 1 . . . . . . . . 4300 1 179 . 1 1 27 27 ASP HA H 1 4.82 . . 1 . . . . . . . . 4300 1 180 . 1 1 27 27 ASP HB2 H 1 2.81 . . 2 . . . . . . . . 4300 1 181 . 1 1 27 27 ASP HB3 H 1 2.48 . . 2 . . . . . . . . 4300 1 182 . 1 1 27 27 ASP CA C 13 54.31 . . 1 . . . . . . . . 4300 1 183 . 1 1 27 27 ASP CB C 13 42.6 . . 1 . . . . . . . . 4300 1 184 . 1 1 27 27 ASP N N 15 120.31 . . 1 . . . . . . . . 4300 1 185 . 1 1 28 28 ILE H H 1 7.01 . . 1 . . . . . . . . 4300 1 186 . 1 1 28 28 ILE HA H 1 3.69 . . 1 . . . . . . . . 4300 1 187 . 1 1 28 28 ILE HB H 1 1.44 . . 1 . . . . . . . . 4300 1 188 . 1 1 28 28 ILE HG12 H 1 0.68 . . 4 . . . . . . . . 4300 1 189 . 1 1 28 28 ILE HG13 H 1 0.68 . . 4 . . . . . . . . 4300 1 190 . 1 1 28 28 ILE HG21 H 1 0.9 . . 4 . . . . . . . . 4300 1 191 . 1 1 28 28 ILE HG22 H 1 0.9 . . 4 . . . . . . . . 4300 1 192 . 1 1 28 28 ILE HG23 H 1 0.9 . . 4 . . . . . . . . 4300 1 193 . 1 1 28 28 ILE HD11 H 1 0.51 . . 4 . . . . . . . . 4300 1 194 . 1 1 28 28 ILE HD12 H 1 0.51 . . 4 . . . . . . . . 4300 1 195 . 1 1 28 28 ILE HD13 H 1 0.51 . . 4 . . . . . . . . 4300 1 196 . 1 1 28 28 ILE CA C 13 62 . . 1 . . . . . . . . 4300 1 197 . 1 1 28 28 ILE CB C 13 38.74 . . 1 . . . . . . . . 4300 1 198 . 1 1 28 28 ILE N N 15 126.93 . . 1 . . . . . . . . 4300 1 199 . 1 1 29 29 PRO HA H 1 4.2 . . 1 . . . . . . . . 4300 1 200 . 1 1 29 29 PRO HB2 H 1 2.28 . . 2 . . . . . . . . 4300 1 201 . 1 1 29 29 PRO HB3 H 1 1.77 . . 2 . . . . . . . . 4300 1 202 . 1 1 29 29 PRO HG2 H 1 1.93 . . 1 . . . . . . . . 4300 1 203 . 1 1 29 29 PRO HG3 H 1 1.93 . . 1 . . . . . . . . 4300 1 204 . 1 1 29 29 PRO HD2 H 1 3.56 . . 2 . . . . . . . . 4300 1 205 . 1 1 29 29 PRO HD3 H 1 2.66 . . 2 . . . . . . . . 4300 1 206 . 1 1 29 29 PRO CA C 13 64.08 . . 1 . . . . . . . . 4300 1 207 . 1 1 29 29 PRO CB C 13 33.45 . . 1 . . . . . . . . 4300 1 208 . 1 1 29 29 PRO CD C 13 51.54 . . 1 . . . . . . . . 4300 1 209 . 1 1 30 30 GLU H H 1 8.78 . . 1 . . . . . . . . 4300 1 210 . 1 1 30 30 GLU HA H 1 3.82 . . 1 . . . . . . . . 4300 1 211 . 1 1 30 30 GLU HB2 H 1 2.31 . . 2 . . . . . . . . 4300 1 212 . 1 1 30 30 GLU HB3 H 1 1.83 . . 2 . . . . . . . . 4300 1 213 . 1 1 30 30 GLU HG2 H 1 2.06 . . 2 . . . . . . . . 4300 1 214 . 1 1 30 30 GLU HG3 H 1 2.01 . . 2 . . . . . . . . 4300 1 215 . 1 1 30 30 GLU CA C 13 57.54 . . 1 . . . . . . . . 4300 1 216 . 1 1 30 30 GLU CB C 13 27.67 . . 1 . . . . . . . . 4300 1 217 . 1 1 30 30 GLU N N 15 116.15 . . 1 . . . . . . . . 4300 1 218 . 1 1 31 31 SER H H 1 7.17 . . 1 . . . . . . . . 4300 1 219 . 1 1 31 31 SER HA H 1 5.84 . . 1 . . . . . . . . 4300 1 220 . 1 1 31 31 SER HB2 H 1 3.49 . . 1 . . . . . . . . 4300 1 221 . 1 1 31 31 SER CA C 13 58.2 . . 1 . . . . . . . . 4300 1 222 . 1 1 31 31 SER CB C 13 68.37 . . 1 . . . . . . . . 4300 1 223 . 1 1 31 31 SER N N 15 111.76 . . 1 . . . . . . . . 4300 1 224 . 1 1 32 32 HIS H H 1 8.87 . . 1 . . . . . . . . 4300 1 225 . 1 1 32 32 HIS HA H 1 4.81 . . 1 . . . . . . . . 4300 1 226 . 1 1 32 32 HIS HB2 H 1 3.05 . . 2 . . . . . . . . 4300 1 227 . 1 1 32 32 HIS HB3 H 1 3.25 . . 2 . . . . . . . . 4300 1 228 . 1 1 32 32 HIS CA C 13 56.17 . . 1 . . . . . . . . 4300 1 229 . 1 1 32 32 HIS CB C 13 31.8 . . 1 . . . . . . . . 4300 1 230 . 1 1 32 32 HIS N N 15 117.04 . . 1 . . . . . . . . 4300 1 231 . 1 1 33 33 ILE H H 1 9.08 . . 1 . . . . . . . . 4300 1 232 . 1 1 33 33 ILE HA H 1 3.76 . . 1 . . . . . . . . 4300 1 233 . 1 1 33 33 ILE HB H 1 1.67 . . 1 . . . . . . . . 4300 1 234 . 1 1 33 33 ILE HG12 H 1 1.47 . . 4 . . . . . . . . 4300 1 235 . 1 1 33 33 ILE HG13 H 1 0.67 . . 4 . . . . . . . . 4300 1 236 . 1 1 33 33 ILE HG21 H 1 0.77 . . 4 . . . . . . . . 4300 1 237 . 1 1 33 33 ILE HG22 H 1 0.77 . . 4 . . . . . . . . 4300 1 238 . 1 1 33 33 ILE HG23 H 1 0.77 . . 4 . . . . . . . . 4300 1 239 . 1 1 33 33 ILE CA C 13 64.15 . . 1 . . . . . . . . 4300 1 240 . 1 1 33 33 ILE CB C 13 39.99 . . 1 . . . . . . . . 4300 1 241 . 1 1 33 33 ILE CG1 C 13 29.9 . . 1 . . . . . . . . 4300 1 242 . 1 1 33 33 ILE CG2 C 13 13.89 . . 1 . . . . . . . . 4300 1 243 . 1 1 33 33 ILE N N 15 126.8 . . 1 . . . . . . . . 4300 1 244 . 1 1 34 34 LEU H H 1 9.04 . . 1 . . . . . . . . 4300 1 245 . 1 1 34 34 LEU HA H 1 4.4 . . 1 . . . . . . . . 4300 1 246 . 1 1 34 34 LEU HB2 H 1 1.41 . . 2 . . . . . . . . 4300 1 247 . 1 1 34 34 LEU HB3 H 1 1.61 . . 2 . . . . . . . . 4300 1 248 . 1 1 34 34 LEU HG H 1 1.53 . . 1 . . . . . . . . 4300 1 249 . 1 1 34 34 LEU HD11 H 1 0.73 . . 1 . . . . . . . . 4300 1 250 . 1 1 34 34 LEU HD12 H 1 0.73 . . 1 . . . . . . . . 4300 1 251 . 1 1 34 34 LEU HD13 H 1 0.73 . . 1 . . . . . . . . 4300 1 252 . 1 1 34 34 LEU HD21 H 1 0.7 . . 1 . . . . . . . . 4300 1 253 . 1 1 34 34 LEU HD22 H 1 0.7 . . 1 . . . . . . . . 4300 1 254 . 1 1 34 34 LEU HD23 H 1 0.7 . . 1 . . . . . . . . 4300 1 255 . 1 1 34 34 LEU CA C 13 56.84 . . 1 . . . . . . . . 4300 1 256 . 1 1 34 34 LEU N N 15 130.77 . . 1 . . . . . . . . 4300 1 257 . 1 1 35 35 THR H H 1 7.26 . . 1 . . . . . . . . 4300 1 258 . 1 1 35 35 THR HA H 1 4.5 . . 1 . . . . . . . . 4300 1 259 . 1 1 35 35 THR HB H 1 4.01 . . 1 . . . . . . . . 4300 1 260 . 1 1 35 35 THR HG1 H 1 1.13 . . 1 . . . . . . . . 4300 1 261 . 1 1 35 35 THR CA C 13 62.08 . . 1 . . . . . . . . 4300 1 262 . 1 1 35 35 THR CB C 13 63.69 . . 1 . . . . . . . . 4300 1 263 . 1 1 35 35 THR N N 15 112.33 . . 1 . . . . . . . . 4300 1 264 . 1 1 36 36 VAL H H 1 8.16 . . 1 . . . . . . . . 4300 1 265 . 1 1 36 36 VAL HA H 1 4.7 . . 1 . . . . . . . . 4300 1 266 . 1 1 36 36 VAL HB H 1 1.85 . . 1 . . . . . . . . 4300 1 267 . 1 1 36 36 VAL HG11 H 1 1.23 . . 1 . . . . . . . . 4300 1 268 . 1 1 36 36 VAL HG12 H 1 1.23 . . 1 . . . . . . . . 4300 1 269 . 1 1 36 36 VAL HG13 H 1 1.23 . . 1 . . . . . . . . 4300 1 270 . 1 1 36 36 VAL HG21 H 1 0.99 . . 1 . . . . . . . . 4300 1 271 . 1 1 36 36 VAL HG22 H 1 0.99 . . 1 . . . . . . . . 4300 1 272 . 1 1 36 36 VAL HG23 H 1 0.99 . . 1 . . . . . . . . 4300 1 273 . 1 1 36 36 VAL CA C 13 61.87 . . 1 . . . . . . . . 4300 1 274 . 1 1 36 36 VAL CB C 13 35.93 . . 1 . . . . . . . . 4300 1 275 . 1 1 36 36 VAL N N 15 127.24 . . 1 . . . . . . . . 4300 1 276 . 1 1 37 37 SER H H 1 9.13 . . 1 . . . . . . . . 4300 1 277 . 1 1 37 37 SER HA H 1 4.16 . . 1 . . . . . . . . 4300 1 278 . 1 1 37 37 SER HB2 H 1 3.96 . . 2 . . . . . . . . 4300 1 279 . 1 1 37 37 SER HB3 H 1 4.95 . . 2 . . . . . . . . 4300 1 280 . 1 1 37 37 SER CA C 13 60.22 . . 1 . . . . . . . . 4300 1 281 . 1 1 37 37 SER CB C 13 66.68 . . 1 . . . . . . . . 4300 1 282 . 1 1 37 37 SER N N 15 125.15 . . 1 . . . . . . . . 4300 1 283 . 1 1 38 38 SER H H 1 9.37 . . 1 . . . . . . . . 4300 1 284 . 1 1 38 38 SER HA H 1 4.19 . . 1 . . . . . . . . 4300 1 285 . 1 1 38 38 SER HB2 H 1 3.65 . . 2 . . . . . . . . 4300 1 286 . 1 1 38 38 SER HB3 H 1 3.75 . . 2 . . . . . . . . 4300 1 287 . 1 1 38 38 SER CA C 13 60.79 . . 1 . . . . . . . . 4300 1 288 . 1 1 38 38 SER N N 15 113.99 . . 1 . . . . . . . . 4300 1 289 . 1 1 39 39 PHE H H 1 8.62 . . 1 . . . . . . . . 4300 1 290 . 1 1 39 39 PHE HA H 1 5.3 . . 1 . . . . . . . . 4300 1 291 . 1 1 39 39 PHE HB2 H 1 3.2 . . 2 . . . . . . . . 4300 1 292 . 1 1 39 39 PHE HB3 H 1 2.72 . . 2 . . . . . . . . 4300 1 293 . 1 1 39 39 PHE CA C 13 54.31 . . 1 . . . . . . . . 4300 1 294 . 1 1 39 39 PHE CB C 13 38.43 . . 1 . . . . . . . . 4300 1 295 . 1 1 39 39 PHE N N 15 123.72 . . 1 . . . . . . . . 4300 1 296 . 1 1 40 40 TYR H H 1 9.38 . . 1 . . . . . . . . 4300 1 297 . 1 1 40 40 TYR HA H 1 5.06 . . 1 . . . . . . . . 4300 1 298 . 1 1 40 40 TYR HB2 H 1 2.77 . . 2 . . . . . . . . 4300 1 299 . 1 1 40 40 TYR HB3 H 1 3 . . 2 . . . . . . . . 4300 1 300 . 1 1 40 40 TYR CA C 13 59.4 . . 1 . . . . . . . . 4300 1 301 . 1 1 40 40 TYR CB C 13 41.99 . . 1 . . . . . . . . 4300 1 302 . 1 1 40 40 TYR N N 15 124.96 . . 1 . . . . . . . . 4300 1 303 . 1 1 41 41 ARG H H 1 8.82 . . 1 . . . . . . . . 4300 1 304 . 1 1 41 41 ARG HA H 1 5.63 . . 1 . . . . . . . . 4300 1 305 . 1 1 41 41 ARG HB2 H 1 1.57 . . 2 . . . . . . . . 4300 1 306 . 1 1 41 41 ARG HB3 H 1 1.61 . . 2 . . . . . . . . 4300 1 307 . 1 1 41 41 ARG HG2 H 1 1.41 . . 1 . . . . . . . . 4300 1 308 . 1 1 41 41 ARG HG3 H 1 1.41 . . 1 . . . . . . . . 4300 1 309 . 1 1 41 41 ARG HD2 H 1 2.66 . . 2 . . . . . . . . 4300 1 310 . 1 1 41 41 ARG HD3 H 1 3.14 . . 2 . . . . . . . . 4300 1 311 . 1 1 41 41 ARG CA C 13 55.43 . . 1 . . . . . . . . 4300 1 312 . 1 1 41 41 ARG CB C 13 35.31 . . 1 . . . . . . . . 4300 1 313 . 1 1 41 41 ARG CG C 13 25.67 . . 1 . . . . . . . . 4300 1 314 . 1 1 41 41 ARG CD C 13 43.64 . . 1 . . . . . . . . 4300 1 315 . 1 1 41 41 ARG N N 15 125.55 . . 1 . . . . . . . . 4300 1 316 . 1 1 42 42 THR H H 1 8.35 . . 1 . . . . . . . . 4300 1 317 . 1 1 42 42 THR HA H 1 4.4 . . 1 . . . . . . . . 4300 1 318 . 1 1 42 42 THR HB H 1 4.32 . . 1 . . . . . . . . 4300 1 319 . 1 1 42 42 THR HG1 H 1 1.03 . . 1 . . . . . . . . 4300 1 320 . 1 1 42 42 THR CA C 13 60.91 . . 1 . . . . . . . . 4300 1 321 . 1 1 42 42 THR CB C 13 70.54 . . 1 . . . . . . . . 4300 1 322 . 1 1 42 42 THR N N 15 128.71 . . 1 . . . . . . . . 4300 1 323 . 1 1 44 44 PRO HA H 1 4.37 . . 1 . . . . . . . . 4300 1 324 . 1 1 44 44 PRO HB2 H 1 2.08 . . 2 . . . . . . . . 4300 1 325 . 1 1 44 44 PRO HB3 H 1 1.85 . . 2 . . . . . . . . 4300 1 326 . 1 1 44 44 PRO HG2 H 1 1.93 . . 2 . . . . . . . . 4300 1 327 . 1 1 44 44 PRO HG3 H 1 1.78 . . 2 . . . . . . . . 4300 1 328 . 1 1 44 44 PRO HD2 H 1 3.85 . . 2 . . . . . . . . 4300 1 329 . 1 1 44 44 PRO HD3 H 1 3.65 . . 2 . . . . . . . . 4300 1 330 . 1 1 44 44 PRO CA C 13 63.27 . . 1 . . . . . . . . 4300 1 331 . 1 1 44 44 PRO CB C 13 33.15 . . 1 . . . . . . . . 4300 1 332 . 1 1 45 45 LEU H H 1 8.23 . . 1 . . . . . . . . 4300 1 333 . 1 1 45 45 LEU HA H 1 4.35 . . 1 . . . . . . . . 4300 1 334 . 1 1 45 45 LEU HB2 H 1 1.49 . . 2 . . . . . . . . 4300 1 335 . 1 1 45 45 LEU HB3 H 1 1.57 . . 2 . . . . . . . . 4300 1 336 . 1 1 45 45 LEU HD11 H 1 0.81 . . 1 . . . . . . . . 4300 1 337 . 1 1 45 45 LEU HD12 H 1 0.81 . . 1 . . . . . . . . 4300 1 338 . 1 1 45 45 LEU HD13 H 1 0.81 . . 1 . . . . . . . . 4300 1 339 . 1 1 45 45 LEU HD21 H 1 0.81 . . 1 . . . . . . . . 4300 1 340 . 1 1 45 45 LEU HD22 H 1 0.81 . . 1 . . . . . . . . 4300 1 341 . 1 1 45 45 LEU HD23 H 1 0.81 . . 1 . . . . . . . . 4300 1 342 . 1 1 45 45 LEU CA C 13 55.8 . . 1 . . . . . . . . 4300 1 343 . 1 1 45 45 LEU N N 15 123.91 . . 1 . . . . . . . . 4300 1 344 . 1 1 46 46 GLY H H 1 8.19 . . 1 . . . . . . . . 4300 1 345 . 1 1 46 46 GLY HA2 H 1 4.16 . . 2 . . . . . . . . 4300 1 346 . 1 1 46 46 GLY HA3 H 1 3.81 . . 2 . . . . . . . . 4300 1 347 . 1 1 46 46 GLY CA C 13 44.92 . . 1 . . . . . . . . 4300 1 348 . 1 1 46 46 GLY N N 15 111.69 . . 1 . . . . . . . . 4300 1 349 . 1 1 47 47 PRO HA H 1 4.34 . . 1 . . . . . . . . 4300 1 350 . 1 1 47 47 PRO HB2 H 1 1.93 . . 2 . . . . . . . . 4300 1 351 . 1 1 47 47 PRO HB3 H 1 2.21 . . 2 . . . . . . . . 4300 1 352 . 1 1 47 47 PRO HG2 H 1 1.76 . . 2 . . . . . . . . 4300 1 353 . 1 1 47 47 PRO HG3 H 1 1.85 . . 2 . . . . . . . . 4300 1 354 . 1 1 47 47 PRO HD2 H 1 3.6 . . 2 . . . . . . . . 4300 1 355 . 1 1 47 47 PRO HD3 H 1 3.55 . . 2 . . . . . . . . 4300 1 356 . 1 1 47 47 PRO CA C 13 64.37 . . 1 . . . . . . . . 4300 1 357 . 1 1 48 48 GLN HA H 1 4.15 . . 1 . . . . . . . . 4300 1 358 . 1 1 48 48 GLN HB2 H 1 1.92 . . 1 . . . . . . . . 4300 1 359 . 1 1 48 48 GLN HB3 H 1 1.92 . . 1 . . . . . . . . 4300 1 360 . 1 1 48 48 GLN HG2 H 1 2.32 . . 1 . . . . . . . . 4300 1 361 . 1 1 48 48 GLN HG3 H 1 2.32 . . 1 . . . . . . . . 4300 1 362 . 1 1 48 48 GLN CA C 13 56.93 . . 1 . . . . . . . . 4300 1 363 . 1 1 48 48 GLN CB C 13 28.04 . . 1 . . . . . . . . 4300 1 364 . 1 1 48 48 GLN CG C 13 34.69 . . 1 . . . . . . . . 4300 1 365 . 1 1 49 49 ASP H H 1 7.49 . . 1 . . . . . . . . 4300 1 366 . 1 1 49 49 ASP HA H 1 4.5 . . 1 . . . . . . . . 4300 1 367 . 1 1 49 49 ASP HB2 H 1 2.55 . . 2 . . . . . . . . 4300 1 368 . 1 1 49 49 ASP HB3 H 1 2.63 . . 2 . . . . . . . . 4300 1 369 . 1 1 49 49 ASP CA C 13 54.6 . . 1 . . . . . . . . 4300 1 370 . 1 1 49 49 ASP CB C 13 40.56 . . 1 . . . . . . . . 4300 1 371 . 1 1 49 49 ASP N N 15 121.96 . . 1 . . . . . . . . 4300 1 372 . 1 1 50 50 GLN H H 1 8.36 . . 1 . . . . . . . . 4300 1 373 . 1 1 50 50 GLN HA H 1 4.4 . . 1 . . . . . . . . 4300 1 374 . 1 1 50 50 GLN HB2 H 1 1.65 . . 2 . . . . . . . . 4300 1 375 . 1 1 50 50 GLN HB3 H 1 2.19 . . 2 . . . . . . . . 4300 1 376 . 1 1 50 50 GLN HG2 H 1 2.21 . . 2 . . . . . . . . 4300 1 377 . 1 1 50 50 GLN HG3 H 1 2.01 . . 2 . . . . . . . . 4300 1 378 . 1 1 50 50 GLN CA C 13 54.6 . . 1 . . . . . . . . 4300 1 379 . 1 1 50 50 GLN CB C 13 28.86 . . 1 . . . . . . . . 4300 1 380 . 1 1 50 50 GLN CG C 13 36.46 . . 1 . . . . . . . . 4300 1 381 . 1 1 50 50 GLN N N 15 121.22 . . 1 . . . . . . . . 4300 1 382 . 1 1 51 51 PRO HA H 1 4.3 . . 1 . . . . . . . . 4300 1 383 . 1 1 51 51 PRO HB2 H 1 1.8 . . 2 . . . . . . . . 4300 1 384 . 1 1 51 51 PRO HB3 H 1 2.2 . . 2 . . . . . . . . 4300 1 385 . 1 1 51 51 PRO HG2 H 1 1.77 . . 2 . . . . . . . . 4300 1 386 . 1 1 51 51 PRO HG3 H 1 1.93 . . 2 . . . . . . . . 4300 1 387 . 1 1 51 51 PRO HD2 H 1 3.62 . . 2 . . . . . . . . 4300 1 388 . 1 1 51 51 PRO HD3 H 1 3.43 . . 2 . . . . . . . . 4300 1 389 . 1 1 51 51 PRO CA C 13 63.37 . . 1 . . . . . . . . 4300 1 390 . 1 1 51 51 PRO CB C 13 33.2 . . 1 . . . . . . . . 4300 1 391 . 1 1 51 51 PRO CD C 13 51.5 . . 1 . . . . . . . . 4300 1 392 . 1 1 52 52 ASP H H 1 7.85 . . 1 . . . . . . . . 4300 1 393 . 1 1 52 52 ASP HA H 1 4.45 . . 1 . . . . . . . . 4300 1 394 . 1 1 52 52 ASP HB2 H 1 2.33 . . 1 . . . . . . . . 4300 1 395 . 1 1 52 52 ASP HB3 H 1 2.33 . . 1 . . . . . . . . 4300 1 396 . 1 1 52 52 ASP CA C 13 55.77 . . 1 . . . . . . . . 4300 1 397 . 1 1 52 52 ASP N N 15 120.62 . . 1 . . . . . . . . 4300 1 398 . 1 1 53 53 TYR H H 1 8.42 . . 1 . . . . . . . . 4300 1 399 . 1 1 53 53 TYR HA H 1 4.75 . . 1 . . . . . . . . 4300 1 400 . 1 1 53 53 TYR HB2 H 1 3.05 . . 2 . . . . . . . . 4300 1 401 . 1 1 53 53 TYR HB3 H 1 3.21 . . 2 . . . . . . . . 4300 1 402 . 1 1 53 53 TYR CA C 13 57.4 . . 1 . . . . . . . . 4300 1 403 . 1 1 53 53 TYR N N 15 123.76 . . 1 . . . . . . . . 4300 1 404 . 1 1 54 54 LEU H H 1 8.53 . . 1 . . . . . . . . 4300 1 405 . 1 1 54 54 LEU HA H 1 5.29 . . 1 . . . . . . . . 4300 1 406 . 1 1 54 54 LEU HB2 H 1 0.83 . . 1 . . . . . . . . 4300 1 407 . 1 1 54 54 LEU HB3 H 1 0.83 . . 1 . . . . . . . . 4300 1 408 . 1 1 54 54 LEU HG H 1 1.05 . . 1 . . . . . . . . 4300 1 409 . 1 1 54 54 LEU HD11 H 1 0.05 . . 1 . . . . . . . . 4300 1 410 . 1 1 54 54 LEU HD12 H 1 0.05 . . 1 . . . . . . . . 4300 1 411 . 1 1 54 54 LEU HD13 H 1 0.05 . . 1 . . . . . . . . 4300 1 412 . 1 1 54 54 LEU HD21 H 1 -0.61 . . 1 . . . . . . . . 4300 1 413 . 1 1 54 54 LEU HD22 H 1 -0.61 . . 1 . . . . . . . . 4300 1 414 . 1 1 54 54 LEU HD23 H 1 -0.61 . . 1 . . . . . . . . 4300 1 415 . 1 1 54 54 LEU CA C 13 55.35 . . 1 . . . . . . . . 4300 1 416 . 1 1 54 54 LEU CB C 13 44.72 . . 1 . . . . . . . . 4300 1 417 . 1 1 54 54 LEU CG C 13 29.27 . . 1 . . . . . . . . 4300 1 418 . 1 1 54 54 LEU N N 15 124.37 . . 1 . . . . . . . . 4300 1 419 . 1 1 55 55 ASN H H 1 9.05 . . 1 . . . . . . . . 4300 1 420 . 1 1 55 55 ASN HA H 1 6.04 . . 1 . . . . . . . . 4300 1 421 . 1 1 55 55 ASN HB2 H 1 3.08 . . 2 . . . . . . . . 4300 1 422 . 1 1 55 55 ASN HB3 H 1 2.3 . . 2 . . . . . . . . 4300 1 423 . 1 1 55 55 ASN CA C 13 53.84 . . 1 . . . . . . . . 4300 1 424 . 1 1 55 55 ASN CB C 13 45.81 . . 1 . . . . . . . . 4300 1 425 . 1 1 55 55 ASN N N 15 124.61 . . 1 . . . . . . . . 4300 1 426 . 1 1 56 56 ALA H H 1 9.1 . . 1 . . . . . . . . 4300 1 427 . 1 1 56 56 ALA HA H 1 4.85 . . 1 . . . . . . . . 4300 1 428 . 1 1 56 56 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 4300 1 429 . 1 1 56 56 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 4300 1 430 . 1 1 56 56 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 4300 1 431 . 1 1 56 56 ALA CA C 13 52.37 . . 1 . . . . . . . . 4300 1 432 . 1 1 56 56 ALA CB C 13 24.14 . . 1 . . . . . . . . 4300 1 433 . 1 1 56 56 ALA N N 15 124 . . 1 . . . . . . . . 4300 1 434 . 1 1 57 57 ALA H H 1 9.38 . . 1 . . . . . . . . 4300 1 435 . 1 1 57 57 ALA HA H 1 5.56 . . 1 . . . . . . . . 4300 1 436 . 1 1 57 57 ALA HB1 H 1 1.24 . . 1 . . . . . . . . 4300 1 437 . 1 1 57 57 ALA HB2 H 1 1.24 . . 1 . . . . . . . . 4300 1 438 . 1 1 57 57 ALA HB3 H 1 1.24 . . 1 . . . . . . . . 4300 1 439 . 1 1 57 57 ALA CA C 13 51.86 . . 1 . . . . . . . . 4300 1 440 . 1 1 57 57 ALA N N 15 124.96 . . 1 . . . . . . . . 4300 1 441 . 1 1 58 58 VAL H H 1 9.07 . . 1 . . . . . . . . 4300 1 442 . 1 1 58 58 VAL HA H 1 4.82 . . 1 . . . . . . . . 4300 1 443 . 1 1 58 58 VAL HB H 1 1.86 . . 1 . . . . . . . . 4300 1 444 . 1 1 58 58 VAL HG11 H 1 0.87 . . 1 . . . . . . . . 4300 1 445 . 1 1 58 58 VAL HG12 H 1 0.87 . . 1 . . . . . . . . 4300 1 446 . 1 1 58 58 VAL HG13 H 1 0.87 . . 1 . . . . . . . . 4300 1 447 . 1 1 58 58 VAL HG21 H 1 0.87 . . 1 . . . . . . . . 4300 1 448 . 1 1 58 58 VAL HG22 H 1 0.87 . . 1 . . . . . . . . 4300 1 449 . 1 1 58 58 VAL HG23 H 1 0.87 . . 1 . . . . . . . . 4300 1 450 . 1 1 58 58 VAL CA C 13 60.65 . . 1 . . . . . . . . 4300 1 451 . 1 1 58 58 VAL N N 15 119.15 . . 1 . . . . . . . . 4300 1 452 . 1 1 59 59 ALA H H 1 8.5 . . 1 . . . . . . . . 4300 1 453 . 1 1 59 59 ALA HA H 1 4.73 . . 1 . . . . . . . . 4300 1 454 . 1 1 59 59 ALA HB1 H 1 1.13 . . 1 . . . . . . . . 4300 1 455 . 1 1 59 59 ALA HB2 H 1 1.13 . . 1 . . . . . . . . 4300 1 456 . 1 1 59 59 ALA HB3 H 1 1.13 . . 1 . . . . . . . . 4300 1 457 . 1 1 59 59 ALA CA C 13 50.88 . . 1 . . . . . . . . 4300 1 458 . 1 1 59 59 ALA N N 15 130.97 . . 1 . . . . . . . . 4300 1 459 . 1 1 60 60 LEU H H 1 9.23 . . 1 . . . . . . . . 4300 1 460 . 1 1 60 60 LEU HA H 1 4.62 . . 1 . . . . . . . . 4300 1 461 . 1 1 60 60 LEU HB2 H 1 1.72 . . 1 . . . . . . . . 4300 1 462 . 1 1 60 60 LEU HB3 H 1 1.72 . . 1 . . . . . . . . 4300 1 463 . 1 1 60 60 LEU HG H 1 1.17 . . 1 . . . . . . . . 4300 1 464 . 1 1 60 60 LEU HD11 H 1 0.62 . . 1 . . . . . . . . 4300 1 465 . 1 1 60 60 LEU HD12 H 1 0.62 . . 1 . . . . . . . . 4300 1 466 . 1 1 60 60 LEU HD13 H 1 0.62 . . 1 . . . . . . . . 4300 1 467 . 1 1 60 60 LEU HD21 H 1 0.54 . . 1 . . . . . . . . 4300 1 468 . 1 1 60 60 LEU HD22 H 1 0.54 . . 1 . . . . . . . . 4300 1 469 . 1 1 60 60 LEU HD23 H 1 0.54 . . 1 . . . . . . . . 4300 1 470 . 1 1 60 60 LEU CA C 13 53.99 . . 1 . . . . . . . . 4300 1 471 . 1 1 60 60 LEU CB C 13 48.09 . . 1 . . . . . . . . 4300 1 472 . 1 1 60 60 LEU CG C 13 27.52 . . 1 . . . . . . . . 4300 1 473 . 1 1 60 60 LEU N N 15 129.74 . . 1 . . . . . . . . 4300 1 474 . 1 1 61 61 GLU H H 1 8.67 . . 1 . . . . . . . . 4300 1 475 . 1 1 61 61 GLU HA H 1 4.64 . . 1 . . . . . . . . 4300 1 476 . 1 1 61 61 GLU HB2 H 1 1.64 . . 2 . . . . . . . . 4300 1 477 . 1 1 61 61 GLU HB3 H 1 1.21 . . 2 . . . . . . . . 4300 1 478 . 1 1 61 61 GLU HG2 H 1 1.83 . . 2 . . . . . . . . 4300 1 479 . 1 1 61 61 GLU HG3 H 1 2.1 . . 2 . . . . . . . . 4300 1 480 . 1 1 61 61 GLU CA C 13 55.73 . . 1 . . . . . . . . 4300 1 481 . 1 1 61 61 GLU CB C 13 30.58 . . 1 . . . . . . . . 4300 1 482 . 1 1 61 61 GLU CG C 13 36.84 . . 1 . . . . . . . . 4300 1 483 . 1 1 61 61 GLU N N 15 131.15 . . 1 . . . . . . . . 4300 1 484 . 1 1 62 62 THR H H 1 9.1 . . 1 . . . . . . . . 4300 1 485 . 1 1 62 62 THR HA H 1 5.41 . . 1 . . . . . . . . 4300 1 486 . 1 1 62 62 THR HB H 1 3.71 . . 1 . . . . . . . . 4300 1 487 . 1 1 62 62 THR HG1 H 1 0.98 . . 1 . . . . . . . . 4300 1 488 . 1 1 62 62 THR CA C 13 61.43 . . 1 . . . . . . . . 4300 1 489 . 1 1 62 62 THR CB C 13 71.68 . . 1 . . . . . . . . 4300 1 490 . 1 1 62 62 THR CG2 C 13 19.04 . . 1 . . . . . . . . 4300 1 491 . 1 1 62 62 THR N N 15 123.06 . . 1 . . . . . . . . 4300 1 492 . 1 1 63 63 SER H H 1 8.1 . . 1 . . . . . . . . 4300 1 493 . 1 1 63 63 SER HA H 1 4.89 . . 1 . . . . . . . . 4300 1 494 . 1 1 63 63 SER HB2 H 1 3.99 . . 1 . . . . . . . . 4300 1 495 . 1 1 63 63 SER HB3 H 1 3.94 . . 1 . . . . . . . . 4300 1 496 . 1 1 63 63 SER CA C 13 58.57 . . 1 . . . . . . . . 4300 1 497 . 1 1 63 63 SER CB C 13 64.7 . . 1 . . . . . . . . 4300 1 498 . 1 1 63 63 SER N N 15 124.08 . . 1 . . . . . . . . 4300 1 499 . 1 1 64 64 LEU H H 1 8.42 . . 1 . . . . . . . . 4300 1 500 . 1 1 64 64 LEU HA H 1 4.12 . . 1 . . . . . . . . 4300 1 501 . 1 1 64 64 LEU HB2 H 1 1.65 . . 2 . . . . . . . . 4300 1 502 . 1 1 64 64 LEU HB3 H 1 1.3 . . 2 . . . . . . . . 4300 1 503 . 1 1 64 64 LEU HG H 1 1.41 . . 1 . . . . . . . . 4300 1 504 . 1 1 64 64 LEU HD11 H 1 0.59 . . 1 . . . . . . . . 4300 1 505 . 1 1 64 64 LEU HD12 H 1 0.59 . . 1 . . . . . . . . 4300 1 506 . 1 1 64 64 LEU HD13 H 1 0.59 . . 1 . . . . . . . . 4300 1 507 . 1 1 64 64 LEU HD21 H 1 0.65 . . 1 . . . . . . . . 4300 1 508 . 1 1 64 64 LEU HD22 H 1 0.65 . . 1 . . . . . . . . 4300 1 509 . 1 1 64 64 LEU HD23 H 1 0.65 . . 1 . . . . . . . . 4300 1 510 . 1 1 64 64 LEU CA C 13 55.57 . . 1 . . . . . . . . 4300 1 511 . 1 1 64 64 LEU CB C 13 43.6 . . 1 . . . . . . . . 4300 1 512 . 1 1 64 64 LEU N N 15 125.75 . . 1 . . . . . . . . 4300 1 513 . 1 1 65 65 ALA H H 1 8.27 . . 1 . . . . . . . . 4300 1 514 . 1 1 65 65 ALA HA H 1 4.5 . . 1 . . . . . . . . 4300 1 515 . 1 1 65 65 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 4300 1 516 . 1 1 65 65 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 4300 1 517 . 1 1 65 65 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 4300 1 518 . 1 1 65 65 ALA CA C 13 51.2 . . 1 . . . . . . . . 4300 1 519 . 1 1 65 65 ALA N N 15 124.43 . . 1 . . . . . . . . 4300 1 520 . 1 1 66 66 PRO HA H 1 4.32 . . 1 . . . . . . . . 4300 1 521 . 1 1 66 66 PRO HB2 H 1 2.5 . . 2 . . . . . . . . 4300 1 522 . 1 1 66 66 PRO HB3 H 1 1.81 . . 2 . . . . . . . . 4300 1 523 . 1 1 66 66 PRO HG2 H 1 1.31 . . 2 . . . . . . . . 4300 1 524 . 1 1 66 66 PRO HG3 H 1 1.9 . . 2 . . . . . . . . 4300 1 525 . 1 1 66 66 PRO HD2 H 1 3.11 . . 2 . . . . . . . . 4300 1 526 . 1 1 66 66 PRO HD3 H 1 3.23 . . 2 . . . . . . . . 4300 1 527 . 1 1 66 66 PRO CA C 13 66.9 . . 1 . . . . . . . . 4300 1 528 . 1 1 66 66 PRO CB C 13 31.4 . . 1 . . . . . . . . 4300 1 529 . 1 1 67 67 GLU H H 1 8.63 . . 1 . . . . . . . . 4300 1 530 . 1 1 67 67 GLU HA H 1 3.54 . . 1 . . . . . . . . 4300 1 531 . 1 1 67 67 GLU HB2 H 1 1.75 . . 1 . . . . . . . . 4300 1 532 . 1 1 67 67 GLU HB3 H 1 1.75 . . 1 . . . . . . . . 4300 1 533 . 1 1 67 67 GLU HG2 H 1 2.04 . . 2 . . . . . . . . 4300 1 534 . 1 1 67 67 GLU HG3 H 1 1.89 . . 2 . . . . . . . . 4300 1 535 . 1 1 67 67 GLU CA C 13 60.52 . . 1 . . . . . . . . 4300 1 536 . 1 1 67 67 GLU N N 15 115.31 . . 1 . . . . . . . . 4300 1 537 . 1 1 68 68 GLU H H 1 6.74 . . 1 . . . . . . . . 4300 1 538 . 1 1 68 68 GLU HA H 1 4.18 . . 1 . . . . . . . . 4300 1 539 . 1 1 68 68 GLU HB2 H 1 2.07 . . 2 . . . . . . . . 4300 1 540 . 1 1 68 68 GLU HB3 H 1 2.2 . . 2 . . . . . . . . 4300 1 541 . 1 1 68 68 GLU HG2 H 1 2.29 . . 1 . . . . . . . . 4300 1 542 . 1 1 68 68 GLU HG3 H 1 2.29 . . 1 . . . . . . . . 4300 1 543 . 1 1 68 68 GLU CA C 13 58.69 . . 1 . . . . . . . . 4300 1 544 . 1 1 68 68 GLU N N 15 119.86 . . 1 . . . . . . . . 4300 1 545 . 1 1 69 69 LEU H H 1 8.05 . . 1 . . . . . . . . 4300 1 546 . 1 1 69 69 LEU N N 15 122.81 . . 1 . . . . . . . . 4300 1 547 . 1 1 70 70 LEU H H 1 7.64 . . 1 . . . . . . . . 4300 1 548 . 1 1 70 70 LEU N N 15 121.5 . . 1 . . . . . . . . 4300 1 549 . 1 1 71 71 ASN H H 1 7.58 . . 1 . . . . . . . . 4300 1 550 . 1 1 71 71 ASN HA H 1 4.18 . . 1 . . . . . . . . 4300 1 551 . 1 1 71 71 ASN HB2 H 1 2.96 . . 2 . . . . . . . . 4300 1 552 . 1 1 71 71 ASN HB3 H 1 2.5 . . 2 . . . . . . . . 4300 1 553 . 1 1 71 71 ASN CA C 13 56.74 . . 1 . . . . . . . . 4300 1 554 . 1 1 71 71 ASN CB C 13 37.73 . . 1 . . . . . . . . 4300 1 555 . 1 1 71 71 ASN N N 15 118.7 . . 1 . . . . . . . . 4300 1 556 . 1 1 72 72 HIS H H 1 7.64 . . 1 . . . . . . . . 4300 1 557 . 1 1 72 72 HIS HA H 1 4.28 . . 1 . . . . . . . . 4300 1 558 . 1 1 72 72 HIS HB2 H 1 3.32 . . 2 . . . . . . . . 4300 1 559 . 1 1 72 72 HIS HB3 H 1 2.85 . . 2 . . . . . . . . 4300 1 560 . 1 1 72 72 HIS CA C 13 62.04 . . 1 . . . . . . . . 4300 1 561 . 1 1 72 72 HIS N N 15 120.82 . . 1 . . . . . . . . 4300 1 562 . 1 1 73 73 THR H H 1 9.23 . . 1 . . . . . . . . 4300 1 563 . 1 1 73 73 THR HA H 1 3.82 . . 1 . . . . . . . . 4300 1 564 . 1 1 73 73 THR HB H 1 4.15 . . 1 . . . . . . . . 4300 1 565 . 1 1 73 73 THR HG1 H 1 0.96 . . 1 . . . . . . . . 4300 1 566 . 1 1 73 73 THR CA C 13 67.88 . . 1 . . . . . . . . 4300 1 567 . 1 1 73 73 THR N N 15 116 . . 1 . . . . . . . . 4300 1 568 . 1 1 74 74 GLN H H 1 8.72 . . 1 . . . . . . . . 4300 1 569 . 1 1 74 74 GLN HA H 1 4.15 . . 1 . . . . . . . . 4300 1 570 . 1 1 74 74 GLN HB2 H 1 2.12 . . 2 . . . . . . . . 4300 1 571 . 1 1 74 74 GLN HB3 H 1 2.16 . . 2 . . . . . . . . 4300 1 572 . 1 1 74 74 GLN HG2 H 1 2.36 . . 2 . . . . . . . . 4300 1 573 . 1 1 74 74 GLN HG3 H 1 2.32 . . 2 . . . . . . . . 4300 1 574 . 1 1 74 74 GLN N N 15 123.85 . . 1 . . . . . . . . 4300 1 575 . 1 1 75 75 ARG H H 1 7.51 . . 1 . . . . . . . . 4300 1 576 . 1 1 75 75 ARG HA H 1 4.04 . . 1 . . . . . . . . 4300 1 577 . 1 1 75 75 ARG HB2 H 1 2.15 . . 2 . . . . . . . . 4300 1 578 . 1 1 75 75 ARG HB3 H 1 1.78 . . 2 . . . . . . . . 4300 1 579 . 1 1 75 75 ARG HG2 H 1 1.43 . . 2 . . . . . . . . 4300 1 580 . 1 1 75 75 ARG HG3 H 1 1.57 . . 2 . . . . . . . . 4300 1 581 . 1 1 75 75 ARG HD2 H 1 3.07 . . 2 . . . . . . . . 4300 1 582 . 1 1 75 75 ARG HD3 H 1 3.22 . . 2 . . . . . . . . 4300 1 583 . 1 1 75 75 ARG CA C 13 60.23 . . 1 . . . . . . . . 4300 1 584 . 1 1 75 75 ARG N N 15 123.38 . . 1 . . . . . . . . 4300 1 585 . 1 1 76 76 ILE H H 1 8 . . 1 . . . . . . . . 4300 1 586 . 1 1 76 76 ILE HA H 1 3.68 . . 1 . . . . . . . . 4300 1 587 . 1 1 76 76 ILE HB H 1 1.78 . . 1 . . . . . . . . 4300 1 588 . 1 1 76 76 ILE HG12 H 1 0.77 . . 4 . . . . . . . . 4300 1 589 . 1 1 76 76 ILE HG13 H 1 0.77 . . 4 . . . . . . . . 4300 1 590 . 1 1 76 76 ILE HG21 H 1 0.64 . . 4 . . . . . . . . 4300 1 591 . 1 1 76 76 ILE HG22 H 1 0.64 . . 4 . . . . . . . . 4300 1 592 . 1 1 76 76 ILE HG23 H 1 0.64 . . 4 . . . . . . . . 4300 1 593 . 1 1 76 76 ILE HD11 H 1 0.87 . . 4 . . . . . . . . 4300 1 594 . 1 1 76 76 ILE HD12 H 1 0.87 . . 4 . . . . . . . . 4300 1 595 . 1 1 76 76 ILE HD13 H 1 0.87 . . 4 . . . . . . . . 4300 1 596 . 1 1 76 76 ILE CA C 13 66.52 . . 1 . . . . . . . . 4300 1 597 . 1 1 76 76 ILE N N 15 123.59 . . 1 . . . . . . . . 4300 1 598 . 1 1 77 77 GLU H H 1 8.22 . . 1 . . . . . . . . 4300 1 599 . 1 1 77 77 GLU HA H 1 3.55 . . 1 . . . . . . . . 4300 1 600 . 1 1 77 77 GLU HB2 H 1 1.76 . . 1 . . . . . . . . 4300 1 601 . 1 1 77 77 GLU HB3 H 1 1.76 . . 1 . . . . . . . . 4300 1 602 . 1 1 77 77 GLU HG2 H 1 2.74 . . 2 . . . . . . . . 4300 1 603 . 1 1 77 77 GLU HG3 H 1 1.97 . . 2 . . . . . . . . 4300 1 604 . 1 1 77 77 GLU CA C 13 61.4 . . 1 . . . . . . . . 4300 1 605 . 1 1 77 77 GLU CG C 13 38 . . 1 . . . . . . . . 4300 1 606 . 1 1 77 77 GLU N N 15 120.83 . . 1 . . . . . . . . 4300 1 607 . 1 1 78 78 LEU H H 1 7.34 . . 1 . . . . . . . . 4300 1 608 . 1 1 78 78 LEU HA H 1 3.94 . . 1 . . . . . . . . 4300 1 609 . 1 1 78 78 LEU HB2 H 1 1.77 . . 2 . . . . . . . . 4300 1 610 . 1 1 78 78 LEU HB3 H 1 1.38 . . 2 . . . . . . . . 4300 1 611 . 1 1 78 78 LEU HG H 1 1.63 . . 1 . . . . . . . . 4300 1 612 . 1 1 78 78 LEU HD11 H 1 0.72 . . 1 . . . . . . . . 4300 1 613 . 1 1 78 78 LEU HD12 H 1 0.72 . . 1 . . . . . . . . 4300 1 614 . 1 1 78 78 LEU HD13 H 1 0.72 . . 1 . . . . . . . . 4300 1 615 . 1 1 78 78 LEU HD21 H 1 0.66 . . 1 . . . . . . . . 4300 1 616 . 1 1 78 78 LEU HD22 H 1 0.66 . . 1 . . . . . . . . 4300 1 617 . 1 1 78 78 LEU HD23 H 1 0.66 . . 1 . . . . . . . . 4300 1 618 . 1 1 78 78 LEU CB C 13 42.77 . . 1 . . . . . . . . 4300 1 619 . 1 1 78 78 LEU CG C 13 27.6 . . 1 . . . . . . . . 4300 1 620 . 1 1 78 78 LEU CD1 C 13 23.68 . . 1 . . . . . . . . 4300 1 621 . 1 1 78 78 LEU CD2 C 13 25.48 . . 1 . . . . . . . . 4300 1 622 . 1 1 78 78 LEU N N 15 117.53 . . 1 . . . . . . . . 4300 1 623 . 1 1 79 79 GLN H H 1 8.47 . . 1 . . . . . . . . 4300 1 624 . 1 1 79 79 GLN N N 15 119.36 . . 1 . . . . . . . . 4300 1 625 . 1 1 81 81 GLY H H 1 7.9 . . 1 . . . . . . . . 4300 1 626 . 1 1 81 81 GLY HA2 H 1 4.09 . . 1 . . . . . . . . 4300 1 627 . 1 1 81 81 GLY HA3 H 1 4.09 . . 1 . . . . . . . . 4300 1 628 . 1 1 81 81 GLY CA C 13 47.98 . . 1 . . . . . . . . 4300 1 629 . 1 1 81 81 GLY N N 15 107.97 . . 1 . . . . . . . . 4300 1 630 . 1 1 83 83 VAL H H 1 8.49 . . 1 . . . . . . . . 4300 1 631 . 1 1 83 83 VAL N N 15 123.4 . . 1 . . . . . . . . 4300 1 632 . 1 1 84 84 ARG H H 1 8.59 . . 1 . . . . . . . . 4300 1 633 . 1 1 84 84 ARG N N 15 129.79 . . 1 . . . . . . . . 4300 1 634 . 1 1 85 85 LYS H H 1 8.21 . . 1 . . . . . . . . 4300 1 635 . 1 1 85 85 LYS N N 15 128.16 . . 1 . . . . . . . . 4300 1 636 . 1 1 86 86 ALA H H 1 8.67 . . 1 . . . . . . . . 4300 1 637 . 1 1 86 86 ALA N N 15 130.03 . . 1 . . . . . . . . 4300 1 638 . 1 1 87 87 GLU H H 1 8.41 . . 1 . . . . . . . . 4300 1 639 . 1 1 87 87 GLU HA H 1 3.96 . . 1 . . . . . . . . 4300 1 640 . 1 1 87 87 GLU HB2 H 1 1.9 . . 2 . . . . . . . . 4300 1 641 . 1 1 87 87 GLU HB3 H 1 1.98 . . 2 . . . . . . . . 4300 1 642 . 1 1 87 87 GLU HG2 H 1 2.08 . . 2 . . . . . . . . 4300 1 643 . 1 1 87 87 GLU HG3 H 1 2.14 . . 2 . . . . . . . . 4300 1 644 . 1 1 87 87 GLU CA C 13 57.62 . . 1 . . . . . . . . 4300 1 645 . 1 1 87 87 GLU N N 15 118.02 . . 1 . . . . . . . . 4300 1 646 . 1 1 88 88 ARG H H 1 7.76 . . 1 . . . . . . . . 4300 1 647 . 1 1 88 88 ARG N N 15 121.8 . . 1 . . . . . . . . 4300 1 648 . 1 1 89 89 TRP HA H 1 4.77 . . 1 . . . . . . . . 4300 1 649 . 1 1 89 89 TRP HB2 H 1 3.06 . . 2 . . . . . . . . 4300 1 650 . 1 1 89 89 TRP HB3 H 1 3.22 . . 2 . . . . . . . . 4300 1 651 . 1 1 89 89 TRP CA C 13 58.01 . . 1 . . . . . . . . 4300 1 652 . 1 1 89 89 TRP CB C 13 30.58 . . 1 . . . . . . . . 4300 1 653 . 1 1 90 90 GLY H H 1 7.36 . . 1 . . . . . . . . 4300 1 654 . 1 1 90 90 GLY HA2 H 1 3.68 . . 2 . . . . . . . . 4300 1 655 . 1 1 90 90 GLY HA3 H 1 4.07 . . 2 . . . . . . . . 4300 1 656 . 1 1 90 90 GLY CA C 13 45.36 . . 1 . . . . . . . . 4300 1 657 . 1 1 90 90 GLY N N 15 106.89 . . 1 . . . . . . . . 4300 1 658 . 1 1 91 91 PRO HA H 1 4.41 . . 1 . . . . . . . . 4300 1 659 . 1 1 91 91 PRO HB2 H 1 2.17 . . 2 . . . . . . . . 4300 1 660 . 1 1 91 91 PRO HB3 H 1 1.76 . . 2 . . . . . . . . 4300 1 661 . 1 1 91 91 PRO HG2 H 1 1.86 . . 1 . . . . . . . . 4300 1 662 . 1 1 91 91 PRO HG3 H 1 1.86 . . 1 . . . . . . . . 4300 1 663 . 1 1 91 91 PRO HD2 H 1 3.53 . . 1 . . . . . . . . 4300 1 664 . 1 1 91 91 PRO HD3 H 1 3.53 . . 1 . . . . . . . . 4300 1 665 . 1 1 91 91 PRO CA C 13 63.28 . . 1 . . . . . . . . 4300 1 666 . 1 1 91 91 PRO CB C 13 33.45 . . 1 . . . . . . . . 4300 1 667 . 1 1 91 91 PRO CD C 13 50.23 . . 1 . . . . . . . . 4300 1 668 . 1 1 92 92 ARG H H 1 8.56 . . 1 . . . . . . . . 4300 1 669 . 1 1 92 92 ARG HA H 1 4.46 . . 1 . . . . . . . . 4300 1 670 . 1 1 92 92 ARG HB2 H 1 1.55 . . 2 . . . . . . . . 4300 1 671 . 1 1 92 92 ARG HB3 H 1 1.45 . . 2 . . . . . . . . 4300 1 672 . 1 1 92 92 ARG HD2 H 1 3.06 . . 2 . . . . . . . . 4300 1 673 . 1 1 92 92 ARG CA C 13 57.1 . . 1 . . . . . . . . 4300 1 674 . 1 1 92 92 ARG N N 15 122.43 . . 1 . . . . . . . . 4300 1 675 . 1 1 93 93 THR H H 1 8.82 . . 1 . . . . . . . . 4300 1 676 . 1 1 93 93 THR HA H 1 4.75 . . 1 . . . . . . . . 4300 1 677 . 1 1 93 93 THR HB H 1 4.42 . . 1 . . . . . . . . 4300 1 678 . 1 1 93 93 THR HG1 H 1 1.05 . . 1 . . . . . . . . 4300 1 679 . 1 1 93 93 THR CA C 13 62.4 . . 1 . . . . . . . . 4300 1 680 . 1 1 93 93 THR N N 15 118.32 . . 1 . . . . . . . . 4300 1 681 . 1 1 94 94 LEU H H 1 6.87 . . 1 . . . . . . . . 4300 1 682 . 1 1 94 94 LEU HA H 1 4.98 . . 1 . . . . . . . . 4300 1 683 . 1 1 94 94 LEU HB2 H 1 1.32 . . 2 . . . . . . . . 4300 1 684 . 1 1 94 94 LEU HB3 H 1 1.29 . . 2 . . . . . . . . 4300 1 685 . 1 1 94 94 LEU HG H 1 0.68 . . 1 . . . . . . . . 4300 1 686 . 1 1 94 94 LEU HD11 H 1 0.63 . . 1 . . . . . . . . 4300 1 687 . 1 1 94 94 LEU HD12 H 1 0.63 . . 1 . . . . . . . . 4300 1 688 . 1 1 94 94 LEU HD13 H 1 0.63 . . 1 . . . . . . . . 4300 1 689 . 1 1 94 94 LEU CA C 13 54.6 . . 1 . . . . . . . . 4300 1 690 . 1 1 94 94 LEU N N 15 123.83 . . 1 . . . . . . . . 4300 1 691 . 1 1 95 95 ASP H H 1 9.13 . . 1 . . . . . . . . 4300 1 692 . 1 1 95 95 ASP HA H 1 5.06 . . 1 . . . . . . . . 4300 1 693 . 1 1 95 95 ASP HB2 H 1 2.49 . . 1 . . . . . . . . 4300 1 694 . 1 1 95 95 ASP HB3 H 1 2.49 . . 1 . . . . . . . . 4300 1 695 . 1 1 95 95 ASP CA C 13 53.47 . . 1 . . . . . . . . 4300 1 696 . 1 1 95 95 ASP N N 15 128.82 . . 1 . . . . . . . . 4300 1 697 . 1 1 96 96 LEU H H 1 10.41 . . 1 . . . . . . . . 4300 1 698 . 1 1 96 96 LEU HA H 1 5.37 . . 1 . . . . . . . . 4300 1 699 . 1 1 96 96 LEU HB2 H 1 1.51 . . 1 . . . . . . . . 4300 1 700 . 1 1 96 96 LEU HB3 H 1 1.51 . . 1 . . . . . . . . 4300 1 701 . 1 1 96 96 LEU HG H 1 0.87 . . 1 . . . . . . . . 4300 1 702 . 1 1 96 96 LEU HD11 H 1 0.83 . . 1 . . . . . . . . 4300 1 703 . 1 1 96 96 LEU HD12 H 1 0.83 . . 1 . . . . . . . . 4300 1 704 . 1 1 96 96 LEU HD13 H 1 0.83 . . 1 . . . . . . . . 4300 1 705 . 1 1 96 96 LEU HD21 H 1 0.94 . . 1 . . . . . . . . 4300 1 706 . 1 1 96 96 LEU HD22 H 1 0.94 . . 1 . . . . . . . . 4300 1 707 . 1 1 96 96 LEU HD23 H 1 0.94 . . 1 . . . . . . . . 4300 1 708 . 1 1 96 96 LEU N N 15 132.87 . . 1 . . . . . . . . 4300 1 709 . 1 1 97 97 ASP H H 1 8.79 . . 1 . . . . . . . . 4300 1 710 . 1 1 97 97 ASP HA H 1 5.38 . . 1 . . . . . . . . 4300 1 711 . 1 1 97 97 ASP HB2 H 1 2.4 . . 2 . . . . . . . . 4300 1 712 . 1 1 97 97 ASP HB3 H 1 2.15 . . 2 . . . . . . . . 4300 1 713 . 1 1 97 97 ASP CA C 13 53.25 . . 1 . . . . . . . . 4300 1 714 . 1 1 97 97 ASP N N 15 129.02 . . 1 . . . . . . . . 4300 1 715 . 1 1 98 98 ILE H H 1 10.7 . . 1 . . . . . . . . 4300 1 716 . 1 1 98 98 ILE HA H 1 4.08 . . 1 . . . . . . . . 4300 1 717 . 1 1 98 98 ILE HB H 1 2 . . 1 . . . . . . . . 4300 1 718 . 1 1 98 98 ILE HG12 H 1 1.76 . . 4 . . . . . . . . 4300 1 719 . 1 1 98 98 ILE HG21 H 1 0.85 . . 4 . . . . . . . . 4300 1 720 . 1 1 98 98 ILE HG22 H 1 0.85 . . 4 . . . . . . . . 4300 1 721 . 1 1 98 98 ILE HG23 H 1 0.85 . . 4 . . . . . . . . 4300 1 722 . 1 1 98 98 ILE HD11 H 1 0.71 . . 4 . . . . . . . . 4300 1 723 . 1 1 98 98 ILE HD12 H 1 0.71 . . 4 . . . . . . . . 4300 1 724 . 1 1 98 98 ILE HD13 H 1 0.71 . . 4 . . . . . . . . 4300 1 725 . 1 1 98 98 ILE CA C 13 64 . . 1 . . . . . . . . 4300 1 726 . 1 1 98 98 ILE N N 15 130.51 . . 1 . . . . . . . . 4300 1 727 . 1 1 99 99 MET H H 1 9.43 . . 1 . . . . . . . . 4300 1 728 . 1 1 99 99 MET HA H 1 4.42 . . 1 . . . . . . . . 4300 1 729 . 1 1 99 99 MET HB2 H 1 2.56 . . 2 . . . . . . . . 4300 1 730 . 1 1 99 99 MET HB3 H 1 2.59 . . 2 . . . . . . . . 4300 1 731 . 1 1 99 99 MET HG2 H 1 2.15 . . 2 . . . . . . . . 4300 1 732 . 1 1 99 99 MET HG3 H 1 2.22 . . 2 . . . . . . . . 4300 1 733 . 1 1 99 99 MET CA C 13 61 . . 1 . . . . . . . . 4300 1 734 . 1 1 99 99 MET N N 15 130.62 . . 1 . . . . . . . . 4300 1 735 . 1 1 100 100 LEU H H 1 7.39 . . 1 . . . . . . . . 4300 1 736 . 1 1 100 100 LEU HA H 1 4.72 . . 1 . . . . . . . . 4300 1 737 . 1 1 100 100 LEU HB2 H 1 1.9 . . 2 . . . . . . . . 4300 1 738 . 1 1 100 100 LEU HB3 H 1 1.7 . . 2 . . . . . . . . 4300 1 739 . 1 1 100 100 LEU HG H 1 1.51 . . 1 . . . . . . . . 4300 1 740 . 1 1 100 100 LEU HD11 H 1 0.94 . . 1 . . . . . . . . 4300 1 741 . 1 1 100 100 LEU HD12 H 1 0.94 . . 1 . . . . . . . . 4300 1 742 . 1 1 100 100 LEU HD13 H 1 0.94 . . 1 . . . . . . . . 4300 1 743 . 1 1 100 100 LEU HD21 H 1 0.58 . . 1 . . . . . . . . 4300 1 744 . 1 1 100 100 LEU HD22 H 1 0.58 . . 1 . . . . . . . . 4300 1 745 . 1 1 100 100 LEU HD23 H 1 0.58 . . 1 . . . . . . . . 4300 1 746 . 1 1 100 100 LEU CA C 13 54.91 . . 1 . . . . . . . . 4300 1 747 . 1 1 100 100 LEU N N 15 113.86 . . 1 . . . . . . . . 4300 1 748 . 1 1 101 101 PHE H H 1 9.62 . . 1 . . . . . . . . 4300 1 749 . 1 1 101 101 PHE HA H 1 4.44 . . 1 . . . . . . . . 4300 1 750 . 1 1 101 101 PHE HB2 H 1 3.22 . . 2 . . . . . . . . 4300 1 751 . 1 1 101 101 PHE HB3 H 1 2.21 . . 2 . . . . . . . . 4300 1 752 . 1 1 101 101 PHE CA C 13 58.48 . . 1 . . . . . . . . 4300 1 753 . 1 1 101 101 PHE CB C 13 42.17 . . 1 . . . . . . . . 4300 1 754 . 1 1 101 101 PHE N N 15 128.91 . . 1 . . . . . . . . 4300 1 755 . 1 1 102 102 GLY H H 1 8.29 . . 1 . . . . . . . . 4300 1 756 . 1 1 102 102 GLY HA2 H 1 3.77 . . 1 . . . . . . . . 4300 1 757 . 1 1 102 102 GLY HA3 H 1 3.77 . . 1 . . . . . . . . 4300 1 758 . 1 1 102 102 GLY CA C 13 48.31 . . 1 . . . . . . . . 4300 1 759 . 1 1 102 102 GLY N N 15 115.98 . . 1 . . . . . . . . 4300 1 760 . 1 1 103 103 ASN H H 1 9.13 . . 1 . . . . . . . . 4300 1 761 . 1 1 103 103 ASN HA H 1 5.06 . . 1 . . . . . . . . 4300 1 762 . 1 1 103 103 ASN HB2 H 1 2.89 . . 2 . . . . . . . . 4300 1 763 . 1 1 103 103 ASN HB3 H 1 2.57 . . 2 . . . . . . . . 4300 1 764 . 1 1 103 103 ASN CA C 13 52.65 . . 1 . . . . . . . . 4300 1 765 . 1 1 103 103 ASN CB C 13 39.96 . . 1 . . . . . . . . 4300 1 766 . 1 1 103 103 ASN N N 15 130.18 . . 1 . . . . . . . . 4300 1 767 . 1 1 104 104 GLU H H 1 8.22 . . 1 . . . . . . . . 4300 1 768 . 1 1 104 104 GLU HA H 1 4.14 . . 1 . . . . . . . . 4300 1 769 . 1 1 104 104 GLU HB2 H 1 2.05 . . 1 . . . . . . . . 4300 1 770 . 1 1 104 104 GLU HB3 H 1 2.05 . . 1 . . . . . . . . 4300 1 771 . 1 1 104 104 GLU HG2 H 1 2.5 . . 2 . . . . . . . . 4300 1 772 . 1 1 104 104 GLU HG3 H 1 2.41 . . 2 . . . . . . . . 4300 1 773 . 1 1 104 104 GLU CA C 13 58.4 . . 1 . . . . . . . . 4300 1 774 . 1 1 104 104 GLU CB C 13 31.48 . . 1 . . . . . . . . 4300 1 775 . 1 1 104 104 GLU N N 15 119.78 . . 1 . . . . . . . . 4300 1 776 . 1 1 105 105 VAL H H 1 8.05 . . 1 . . . . . . . . 4300 1 777 . 1 1 105 105 VAL HA H 1 4.59 . . 1 . . . . . . . . 4300 1 778 . 1 1 105 105 VAL HB H 1 1.9 . . 1 . . . . . . . . 4300 1 779 . 1 1 105 105 VAL HG11 H 1 0.92 . . 1 . . . . . . . . 4300 1 780 . 1 1 105 105 VAL HG12 H 1 0.92 . . 1 . . . . . . . . 4300 1 781 . 1 1 105 105 VAL HG13 H 1 0.92 . . 1 . . . . . . . . 4300 1 782 . 1 1 105 105 VAL HG21 H 1 0.92 . . 1 . . . . . . . . 4300 1 783 . 1 1 105 105 VAL HG22 H 1 0.92 . . 1 . . . . . . . . 4300 1 784 . 1 1 105 105 VAL HG23 H 1 0.92 . . 1 . . . . . . . . 4300 1 785 . 1 1 105 105 VAL CA C 13 62.62 . . 1 . . . . . . . . 4300 1 786 . 1 1 105 105 VAL CB C 13 33.79 . . 1 . . . . . . . . 4300 1 787 . 1 1 105 105 VAL N N 15 122.13 . . 1 . . . . . . . . 4300 1 788 . 1 1 106 106 ILE H H 1 9.28 . . 1 . . . . . . . . 4300 1 789 . 1 1 106 106 ILE HA H 1 4.21 . . 1 . . . . . . . . 4300 1 790 . 1 1 106 106 ILE HB H 1 1.3 . . 1 . . . . . . . . 4300 1 791 . 1 1 106 106 ILE HG12 H 1 0.97 . . 1 . . . . . . . . 4300 1 792 . 1 1 106 106 ILE HG13 H 1 0.97 . . 1 . . . . . . . . 4300 1 793 . 1 1 106 106 ILE HG21 H 1 0.82 . . 1 . . . . . . . . 4300 1 794 . 1 1 106 106 ILE HG22 H 1 0.82 . . 1 . . . . . . . . 4300 1 795 . 1 1 106 106 ILE HG23 H 1 0.82 . . 1 . . . . . . . . 4300 1 796 . 1 1 106 106 ILE HD11 H 1 0.54 . . 1 . . . . . . . . 4300 1 797 . 1 1 106 106 ILE HD12 H 1 0.54 . . 1 . . . . . . . . 4300 1 798 . 1 1 106 106 ILE HD13 H 1 0.54 . . 1 . . . . . . . . 4300 1 799 . 1 1 106 106 ILE CA C 13 61.47 . . 1 . . . . . . . . 4300 1 800 . 1 1 106 106 ILE CG1 C 13 18.51 . . 1 . . . . . . . . 4300 1 801 . 1 1 106 106 ILE CG2 C 13 14.72 . . 1 . . . . . . . . 4300 1 802 . 1 1 106 106 ILE N N 15 131.8 . . 1 . . . . . . . . 4300 1 803 . 1 1 107 107 ASN H H 1 9.09 . . 1 . . . . . . . . 4300 1 804 . 1 1 107 107 ASN HA H 1 5.38 . . 1 . . . . . . . . 4300 1 805 . 1 1 107 107 ASN HB2 H 1 2.63 . . 2 . . . . . . . . 4300 1 806 . 1 1 107 107 ASN HB3 H 1 2.57 . . 2 . . . . . . . . 4300 1 807 . 1 1 107 107 ASN CA C 13 53.93 . . 1 . . . . . . . . 4300 1 808 . 1 1 107 107 ASN CB C 13 42.79 . . 1 . . . . . . . . 4300 1 809 . 1 1 107 107 ASN N N 15 129.8 . . 1 . . . . . . . . 4300 1 810 . 1 1 108 108 THR H H 1 8.73 . . 1 . . . . . . . . 4300 1 811 . 1 1 108 108 THR HA H 1 4.75 . . 1 . . . . . . . . 4300 1 812 . 1 1 108 108 THR HB H 1 4.53 . . 1 . . . . . . . . 4300 1 813 . 1 1 108 108 THR HG1 H 1 1.11 . . 1 . . . . . . . . 4300 1 814 . 1 1 108 108 THR CA C 13 60.23 . . 1 . . . . . . . . 4300 1 815 . 1 1 108 108 THR CB C 13 73.49 . . 1 . . . . . . . . 4300 1 816 . 1 1 108 108 THR N N 15 116.64 . . 1 . . . . . . . . 4300 1 817 . 1 1 109 109 GLU H H 1 8.73 . . 1 . . . . . . . . 4300 1 818 . 1 1 109 109 GLU HA H 1 3.91 . . 1 . . . . . . . . 4300 1 819 . 1 1 109 109 GLU HB2 H 1 1.91 . . 1 . . . . . . . . 4300 1 820 . 1 1 109 109 GLU HB3 H 1 1.91 . . 1 . . . . . . . . 4300 1 821 . 1 1 109 109 GLU HG2 H 1 2.18 . . 2 . . . . . . . . 4300 1 822 . 1 1 109 109 GLU HG3 H 1 1.85 . . 2 . . . . . . . . 4300 1 823 . 1 1 109 109 GLU CA C 13 60 . . 1 . . . . . . . . 4300 1 824 . 1 1 109 109 GLU CB C 13 30 . . 1 . . . . . . . . 4300 1 825 . 1 1 109 109 GLU CG C 13 37.81 . . 1 . . . . . . . . 4300 1 826 . 1 1 109 109 GLU N N 15 121.37 . . 1 . . . . . . . . 4300 1 827 . 1 1 110 110 ARG H H 1 7.88 . . 1 . . . . . . . . 4300 1 828 . 1 1 110 110 ARG HA H 1 4.13 . . 1 . . . . . . . . 4300 1 829 . 1 1 110 110 ARG HB2 H 1 1.29 . . 2 . . . . . . . . 4300 1 830 . 1 1 110 110 ARG HB3 H 1 1.5 . . 2 . . . . . . . . 4300 1 831 . 1 1 110 110 ARG HG2 H 1 1.65 . . 2 . . . . . . . . 4300 1 832 . 1 1 110 110 ARG HD2 H 1 3.13 . . 2 . . . . . . . . 4300 1 833 . 1 1 110 110 ARG CA C 13 57.66 . . 1 . . . . . . . . 4300 1 834 . 1 1 110 110 ARG N N 15 114.54 . . 1 . . . . . . . . 4300 1 835 . 1 1 111 111 LEU H H 1 7.46 . . 1 . . . . . . . . 4300 1 836 . 1 1 111 111 LEU HA H 1 3.88 . . 1 . . . . . . . . 4300 1 837 . 1 1 111 111 LEU HB2 H 1 1.31 . . 2 . . . . . . . . 4300 1 838 . 1 1 111 111 LEU HB3 H 1 0.7 . . 2 . . . . . . . . 4300 1 839 . 1 1 111 111 LEU HG H 1 0.96 . . 1 . . . . . . . . 4300 1 840 . 1 1 111 111 LEU HD11 H 1 0.3 . . 1 . . . . . . . . 4300 1 841 . 1 1 111 111 LEU HD12 H 1 0.3 . . 1 . . . . . . . . 4300 1 842 . 1 1 111 111 LEU HD13 H 1 0.3 . . 1 . . . . . . . . 4300 1 843 . 1 1 111 111 LEU HD21 H 1 0.26 . . 1 . . . . . . . . 4300 1 844 . 1 1 111 111 LEU HD22 H 1 0.26 . . 1 . . . . . . . . 4300 1 845 . 1 1 111 111 LEU HD23 H 1 0.26 . . 1 . . . . . . . . 4300 1 846 . 1 1 111 111 LEU CA C 13 54.27 . . 1 . . . . . . . . 4300 1 847 . 1 1 111 111 LEU N N 15 122.38 . . 1 . . . . . . . . 4300 1 848 . 1 1 112 112 THR HA H 1 5.16 . . 1 . . . . . . . . 4300 1 849 . 1 1 112 112 THR HB H 1 4.27 . . 1 . . . . . . . . 4300 1 850 . 1 1 112 112 THR HG1 H 1 1.34 . . 1 . . . . . . . . 4300 1 851 . 1 1 113 113 VAL H H 1 9.23 . . 1 . . . . . . . . 4300 1 852 . 1 1 113 113 VAL HA H 1 4.21 . . 1 . . . . . . . . 4300 1 853 . 1 1 113 113 VAL HG21 H 1 0.76 . . 1 . . . . . . . . 4300 1 854 . 1 1 113 113 VAL HG22 H 1 0.76 . . 1 . . . . . . . . 4300 1 855 . 1 1 113 113 VAL HG23 H 1 0.76 . . 1 . . . . . . . . 4300 1 856 . 1 1 113 113 VAL CA C 13 60.15 . . 1 . . . . . . . . 4300 1 857 . 1 1 113 113 VAL CB C 13 38.16 . . 1 . . . . . . . . 4300 1 858 . 1 1 113 113 VAL N N 15 130 . . 1 . . . . . . . . 4300 1 859 . 1 1 114 114 PRO HA H 1 5.3 . . 1 . . . . . . . . 4300 1 860 . 1 1 114 114 PRO HB3 H 1 1.98 . . 2 . . . . . . . . 4300 1 861 . 1 1 114 114 PRO HG2 H 1 2.37 . . 2 . . . . . . . . 4300 1 862 . 1 1 114 114 PRO HD3 H 1 4.06 . . 2 . . . . . . . . 4300 1 863 . 1 1 114 114 PRO CA C 13 63.28 . . 1 . . . . . . . . 4300 1 864 . 1 1 114 114 PRO CB C 13 35.3 . . 1 . . . . . . . . 4300 1 865 . 1 1 114 114 PRO CG C 13 27.01 . . 1 . . . . . . . . 4300 1 866 . 1 1 115 115 HIS H H 1 8.61 . . 1 . . . . . . . . 4300 1 867 . 1 1 115 115 HIS HA H 1 4.47 . . 1 . . . . . . . . 4300 1 868 . 1 1 115 115 HIS HB2 H 1 3.69 . . 2 . . . . . . . . 4300 1 869 . 1 1 115 115 HIS HB3 H 1 2.82 . . 2 . . . . . . . . 4300 1 870 . 1 1 115 115 HIS CA C 13 60 . . 1 . . . . . . . . 4300 1 871 . 1 1 115 115 HIS CB C 13 32.13 . . 1 . . . . . . . . 4300 1 872 . 1 1 115 115 HIS N N 15 127.71 . . 1 . . . . . . . . 4300 1 873 . 1 1 116 116 TYR HA H 1 4.39 . . 9 . . . . . . . . 4300 1 874 . 1 1 116 116 TYR HB2 H 1 3.19 . . 9 . . . . . . . . 4300 1 875 . 1 1 116 116 TYR HB3 H 1 3.11 . . 9 . . . . . . . . 4300 1 876 . 1 1 116 116 TYR CA C 13 61 . . 9 . . . . . . . . 4300 1 877 . 1 1 117 117 ASP H H 1 8.38 . . 1 . . . . . . . . 4300 1 878 . 1 1 117 117 ASP N N 15 125.83 . . 1 . . . . . . . . 4300 1 879 . 1 1 118 118 MET H H 1 7.44 . . 1 . . . . . . . . 4300 1 880 . 1 1 118 118 MET HA H 1 3.73 . . 1 . . . . . . . . 4300 1 881 . 1 1 118 118 MET HB2 H 1 2.81 . . 2 . . . . . . . . 4300 1 882 . 1 1 118 118 MET HB3 H 1 1.87 . . 2 . . . . . . . . 4300 1 883 . 1 1 118 118 MET HG2 H 1 3.15 . . 2 . . . . . . . . 4300 1 884 . 1 1 118 118 MET HG3 H 1 2.04 . . 2 . . . . . . . . 4300 1 885 . 1 1 118 118 MET CA C 13 60.74 . . 1 . . . . . . . . 4300 1 886 . 1 1 118 118 MET N N 15 121.74 . . 1 . . . . . . . . 4300 1 887 . 1 1 119 119 LYS H H 1 7.97 . . 1 . . . . . . . . 4300 1 888 . 1 1 119 119 LYS HA H 1 3.67 . . 1 . . . . . . . . 4300 1 889 . 1 1 119 119 LYS HB2 H 1 1.46 . . 2 . . . . . . . . 4300 1 890 . 1 1 119 119 LYS HB3 H 1 1.55 . . 2 . . . . . . . . 4300 1 891 . 1 1 119 119 LYS HG2 H 1 1.18 . . 2 . . . . . . . . 4300 1 892 . 1 1 119 119 LYS HG3 H 1 1.14 . . 2 . . . . . . . . 4300 1 893 . 1 1 119 119 LYS HD2 H 1 1.39 . . 2 . . . . . . . . 4300 1 894 . 1 1 119 119 LYS HD3 H 1 1.58 . . 2 . . . . . . . . 4300 1 895 . 1 1 119 119 LYS HE2 H 1 3.15 . . 1 . . . . . . . . 4300 1 896 . 1 1 119 119 LYS CA C 13 59.86 . . 1 . . . . . . . . 4300 1 897 . 1 1 119 119 LYS CB C 13 32.51 . . 1 . . . . . . . . 4300 1 898 . 1 1 119 119 LYS N N 15 116.93 . . 1 . . . . . . . . 4300 1 899 . 1 1 120 120 ASN H H 1 7.36 . . 1 . . . . . . . . 4300 1 900 . 1 1 120 120 ASN HA H 1 4.91 . . 1 . . . . . . . . 4300 1 901 . 1 1 120 120 ASN HB2 H 1 2.44 . . 2 . . . . . . . . 4300 1 902 . 1 1 120 120 ASN HB3 H 1 2.89 . . 2 . . . . . . . . 4300 1 903 . 1 1 120 120 ASN CA C 13 53.11 . . 1 . . . . . . . . 4300 1 904 . 1 1 120 120 ASN N N 15 111.7 . . 1 . . . . . . . . 4300 1 905 . 1 1 121 121 ARG H H 1 6.91 . . 1 . . . . . . . . 4300 1 906 . 1 1 121 121 ARG HA H 1 4.16 . . 1 . . . . . . . . 4300 1 907 . 1 1 121 121 ARG HB2 H 1 1.31 . . 2 . . . . . . . . 4300 1 908 . 1 1 121 121 ARG HB3 H 1 1.29 . . 2 . . . . . . . . 4300 1 909 . 1 1 121 121 ARG HG2 H 1 0.93 . . 2 . . . . . . . . 4300 1 910 . 1 1 121 121 ARG HD2 H 1 2.73 . . 2 . . . . . . . . 4300 1 911 . 1 1 121 121 ARG CA C 13 54.3 . . 1 . . . . . . . . 4300 1 912 . 1 1 121 121 ARG N N 15 121.09 . . 1 . . . . . . . . 4300 1 913 . 1 1 122 122 GLY H H 1 9.16 . . 1 . . . . . . . . 4300 1 914 . 1 1 122 122 GLY HA2 H 1 3.94 . . 2 . . . . . . . . 4300 1 915 . 1 1 122 122 GLY HA3 H 1 2.72 . . 2 . . . . . . . . 4300 1 916 . 1 1 122 122 GLY CA C 13 48.42 . . 1 . . . . . . . . 4300 1 917 . 1 1 122 122 GLY N N 15 120.4 . . 1 . . . . . . . . 4300 1 918 . 1 1 123 123 PHE H H 1 6.87 . . 1 . . . . . . . . 4300 1 919 . 1 1 123 123 PHE HA H 1 4.24 . . 1 . . . . . . . . 4300 1 920 . 1 1 123 123 PHE HB2 H 1 2.79 . . 2 . . . . . . . . 4300 1 921 . 1 1 123 123 PHE HB3 H 1 3.08 . . 2 . . . . . . . . 4300 1 922 . 1 1 123 123 PHE CA C 13 58.5 . . 1 . . . . . . . . 4300 1 923 . 1 1 123 123 PHE CB C 13 38.13 . . 1 . . . . . . . . 4300 1 924 . 1 1 123 123 PHE N N 15 112 . . 1 . . . . . . . . 4300 1 925 . 1 1 124 124 MET H H 1 6.37 . . 1 . . . . . . . . 4300 1 926 . 1 1 124 124 MET HA H 1 4.26 . . 1 . . . . . . . . 4300 1 927 . 1 1 124 124 MET HB2 H 1 1.46 . . 1 . . . . . . . . 4300 1 928 . 1 1 124 124 MET HB3 H 1 1.46 . . 1 . . . . . . . . 4300 1 929 . 1 1 124 124 MET N N 15 119.22 . . 1 . . . . . . . . 4300 1 930 . 1 1 125 125 LEU H H 1 7.32 . . 1 . . . . . . . . 4300 1 931 . 1 1 125 125 LEU HA H 1 3.7 . . 1 . . . . . . . . 4300 1 932 . 1 1 125 125 LEU HB2 H 1 0.82 . . 2 . . . . . . . . 4300 1 933 . 1 1 125 125 LEU HB3 H 1 0.98 . . 2 . . . . . . . . 4300 1 934 . 1 1 125 125 LEU HG H 1 1.7 . . 1 . . . . . . . . 4300 1 935 . 1 1 125 125 LEU HD11 H 1 0.36 . . 1 . . . . . . . . 4300 1 936 . 1 1 125 125 LEU HD12 H 1 0.36 . . 1 . . . . . . . . 4300 1 937 . 1 1 125 125 LEU HD13 H 1 0.36 . . 1 . . . . . . . . 4300 1 938 . 1 1 125 125 LEU HD21 H 1 0.23 . . 1 . . . . . . . . 4300 1 939 . 1 1 125 125 LEU HD22 H 1 0.23 . . 1 . . . . . . . . 4300 1 940 . 1 1 125 125 LEU HD23 H 1 0.23 . . 1 . . . . . . . . 4300 1 941 . 1 1 125 125 LEU CA C 13 58.27 . . 1 . . . . . . . . 4300 1 942 . 1 1 125 125 LEU CB C 13 43.79 . . 1 . . . . . . . . 4300 1 943 . 1 1 125 125 LEU CG C 13 22.58 . . 1 . . . . . . . . 4300 1 944 . 1 1 125 125 LEU CD1 C 13 27.33 . . 1 . . . . . . . . 4300 1 945 . 1 1 125 125 LEU N N 15 117.06 . . 1 . . . . . . . . 4300 1 946 . 1 1 126 126 TRP H H 1 8.58 . . 1 . . . . . . . . 4300 1 947 . 1 1 126 126 TRP HA H 1 4.66 . . 1 . . . . . . . . 4300 1 948 . 1 1 126 126 TRP HB2 H 1 2.85 . . 2 . . . . . . . . 4300 1 949 . 1 1 126 126 TRP HB3 H 1 2.92 . . 2 . . . . . . . . 4300 1 950 . 1 1 126 126 TRP CA C 13 62.9 . . 1 . . . . . . . . 4300 1 951 . 1 1 126 126 TRP N N 15 118.59 . . 1 . . . . . . . . 4300 1 952 . 1 1 127 127 PRO HA H 1 4.31 . . 1 . . . . . . . . 4300 1 953 . 1 1 127 127 PRO HB2 H 1 2.51 . . 2 . . . . . . . . 4300 1 954 . 1 1 127 127 PRO HB3 H 1 1.81 . . 2 . . . . . . . . 4300 1 955 . 1 1 127 127 PRO HG2 H 1 1.91 . . 2 . . . . . . . . 4300 1 956 . 1 1 127 127 PRO HG3 H 1 1.31 . . 2 . . . . . . . . 4300 1 957 . 1 1 127 127 PRO HD2 H 1 3.14 . . 2 . . . . . . . . 4300 1 958 . 1 1 127 127 PRO HD3 H 1 3.08 . . 2 . . . . . . . . 4300 1 959 . 1 1 127 127 PRO CA C 13 66.77 . . 1 . . . . . . . . 4300 1 960 . 1 1 127 127 PRO CB C 13 31.48 . . 1 . . . . . . . . 4300 1 961 . 1 1 128 128 LEU H H 1 6.43 . . 1 . . . . . . . . 4300 1 962 . 1 1 128 128 LEU HA H 1 3.78 . . 1 . . . . . . . . 4300 1 963 . 1 1 128 128 LEU HB2 H 1 1.11 . . 1 . . . . . . . . 4300 1 964 . 1 1 128 128 LEU HB3 H 1 1.11 . . 1 . . . . . . . . 4300 1 965 . 1 1 128 128 LEU HG H 1 1.11 . . 1 . . . . . . . . 4300 1 966 . 1 1 128 128 LEU HD11 H 1 0.48 . . 1 . . . . . . . . 4300 1 967 . 1 1 128 128 LEU HD12 H 1 0.48 . . 1 . . . . . . . . 4300 1 968 . 1 1 128 128 LEU HD13 H 1 0.48 . . 1 . . . . . . . . 4300 1 969 . 1 1 128 128 LEU HD21 H 1 0.24 . . 1 . . . . . . . . 4300 1 970 . 1 1 128 128 LEU HD22 H 1 0.24 . . 1 . . . . . . . . 4300 1 971 . 1 1 128 128 LEU HD23 H 1 0.24 . . 1 . . . . . . . . 4300 1 972 . 1 1 128 128 LEU CA C 13 57.89 . . 1 . . . . . . . . 4300 1 973 . 1 1 128 128 LEU N N 15 116.33 . . 1 . . . . . . . . 4300 1 974 . 1 1 129 129 PHE H H 1 8.47 . . 1 . . . . . . . . 4300 1 975 . 1 1 129 129 PHE HA H 1 3.78 . . 1 . . . . . . . . 4300 1 976 . 1 1 129 129 PHE HB2 H 1 3.06 . . 2 . . . . . . . . 4300 1 977 . 1 1 129 129 PHE HB3 H 1 2.8 . . 2 . . . . . . . . 4300 1 978 . 1 1 129 129 PHE CA C 13 60.85 . . 1 . . . . . . . . 4300 1 979 . 1 1 129 129 PHE N N 15 121.17 . . 1 . . . . . . . . 4300 1 980 . 1 1 130 130 GLU H H 1 7.45 . . 1 . . . . . . . . 4300 1 981 . 1 1 130 130 GLU HA H 1 3.78 . . 1 . . . . . . . . 4300 1 982 . 1 1 130 130 GLU HB2 H 1 2.2 . . 2 . . . . . . . . 4300 1 983 . 1 1 130 130 GLU HB3 H 1 2.4 . . 2 . . . . . . . . 4300 1 984 . 1 1 130 130 GLU HG2 H 1 2.18 . . 2 . . . . . . . . 4300 1 985 . 1 1 130 130 GLU HG3 H 1 2.45 . . 2 . . . . . . . . 4300 1 986 . 1 1 130 130 GLU CA C 13 59.73 . . 1 . . . . . . . . 4300 1 987 . 1 1 130 130 GLU N N 15 118.08 . . 1 . . . . . . . . 4300 1 988 . 1 1 131 131 ILE H H 1 6.8 . . 1 . . . . . . . . 4300 1 989 . 1 1 131 131 ILE HA H 1 4.39 . . 1 . . . . . . . . 4300 1 990 . 1 1 131 131 ILE HB H 1 2.03 . . 1 . . . . . . . . 4300 1 991 . 1 1 131 131 ILE HG12 H 1 1.75 . . 4 . . . . . . . . 4300 1 992 . 1 1 131 131 ILE HG21 H 1 0.75 . . 4 . . . . . . . . 4300 1 993 . 1 1 131 131 ILE HG22 H 1 0.75 . . 4 . . . . . . . . 4300 1 994 . 1 1 131 131 ILE HG23 H 1 0.75 . . 4 . . . . . . . . 4300 1 995 . 1 1 131 131 ILE HD11 H 1 0.92 . . 4 . . . . . . . . 4300 1 996 . 1 1 131 131 ILE HD12 H 1 0.92 . . 4 . . . . . . . . 4300 1 997 . 1 1 131 131 ILE HD13 H 1 0.92 . . 4 . . . . . . . . 4300 1 998 . 1 1 131 131 ILE CA C 13 62.15 . . 1 . . . . . . . . 4300 1 999 . 1 1 131 131 ILE CB C 13 39.74 . . 1 . . . . . . . . 4300 1 1000 . 1 1 131 131 ILE N N 15 106.94 . . 1 . . . . . . . . 4300 1 1001 . 1 1 132 132 ALA H H 1 8.21 . . 1 . . . . . . . . 4300 1 1002 . 1 1 132 132 ALA HA H 1 4.66 . . 1 . . . . . . . . 4300 1 1003 . 1 1 132 132 ALA HB1 H 1 0.9 . . 1 . . . . . . . . 4300 1 1004 . 1 1 132 132 ALA HB2 H 1 0.9 . . 1 . . . . . . . . 4300 1 1005 . 1 1 132 132 ALA HB3 H 1 0.9 . . 1 . . . . . . . . 4300 1 1006 . 1 1 132 132 ALA CA C 13 51.5 . . 1 . . . . . . . . 4300 1 1007 . 1 1 132 132 ALA CB C 13 19.69 . . 1 . . . . . . . . 4300 1 1008 . 1 1 132 132 ALA N N 15 131.37 . . 1 . . . . . . . . 4300 1 1009 . 1 1 133 133 PRO HA H 1 4.02 . . 1 . . . . . . . . 4300 1 1010 . 1 1 133 133 PRO HB2 H 1 1.51 . . 2 . . . . . . . . 4300 1 1011 . 1 1 133 133 PRO HB3 H 1 1.43 . . 2 . . . . . . . . 4300 1 1012 . 1 1 133 133 PRO HG2 H 1 1.7 . . 1 . . . . . . . . 4300 1 1013 . 1 1 133 133 PRO HG3 H 1 1.7 . . 1 . . . . . . . . 4300 1 1014 . 1 1 133 133 PRO HD2 H 1 3.3 . . 2 . . . . . . . . 4300 1 1015 . 1 1 133 133 PRO HD3 H 1 3 . . 2 . . . . . . . . 4300 1 1016 . 1 1 133 133 PRO CA C 13 65.45 . . 1 . . . . . . . . 4300 1 1017 . 1 1 133 133 PRO CB C 13 32.19 . . 1 . . . . . . . . 4300 1 1018 . 1 1 133 133 PRO CG C 13 28 . . 1 . . . . . . . . 4300 1 1019 . 1 1 134 134 GLU H H 1 8.17 . . 1 . . . . . . . . 4300 1 1020 . 1 1 134 134 GLU HA H 1 4.43 . . 1 . . . . . . . . 4300 1 1021 . 1 1 134 134 GLU HB2 H 1 2.2 . . 2 . . . . . . . . 4300 1 1022 . 1 1 134 134 GLU HB3 H 1 1.66 . . 2 . . . . . . . . 4300 1 1023 . 1 1 134 134 GLU HG2 H 1 2.2 . . 2 . . . . . . . . 4300 1 1024 . 1 1 134 134 GLU HG3 H 1 2.01 . . 2 . . . . . . . . 4300 1 1025 . 1 1 134 134 GLU CB C 13 36.55 . . 1 . . . . . . . . 4300 1 1026 . 1 1 134 134 GLU CG C 13 28.5 . . 1 . . . . . . . . 4300 1 1027 . 1 1 134 134 GLU N N 15 116.51 . . 1 . . . . . . . . 4300 1 1028 . 1 1 135 135 LEU HA H 1 3.74 . . 1 . . . . . . . . 4300 1 1029 . 1 1 135 135 LEU HB2 H 1 1.63 . . 2 . . . . . . . . 4300 1 1030 . 1 1 135 135 LEU HB3 H 1 1.21 . . 2 . . . . . . . . 4300 1 1031 . 1 1 135 135 LEU HG H 1 1.11 . . 1 . . . . . . . . 4300 1 1032 . 1 1 135 135 LEU HD11 H 1 0.01 . . 1 . . . . . . . . 4300 1 1033 . 1 1 135 135 LEU HD12 H 1 0.01 . . 1 . . . . . . . . 4300 1 1034 . 1 1 135 135 LEU HD13 H 1 0.01 . . 1 . . . . . . . . 4300 1 1035 . 1 1 135 135 LEU HD21 H 1 0.3 . . 1 . . . . . . . . 4300 1 1036 . 1 1 135 135 LEU HD22 H 1 0.3 . . 1 . . . . . . . . 4300 1 1037 . 1 1 135 135 LEU HD23 H 1 0.3 . . 1 . . . . . . . . 4300 1 1038 . 1 1 135 135 LEU CA C 13 58.69 . . 1 . . . . . . . . 4300 1 1039 . 1 1 135 135 LEU CB C 13 43.1 . . 1 . . . . . . . . 4300 1 1040 . 1 1 135 135 LEU CG C 13 27.44 . . 1 . . . . . . . . 4300 1 1041 . 1 1 135 135 LEU N N 15 124.46 . . 1 . . . . . . . . 4300 1 1042 . 1 1 136 136 VAL H H 1 8.29 . . 1 . . . . . . . . 4300 1 1043 . 1 1 136 136 VAL HA H 1 4.41 . . 1 . . . . . . . . 4300 1 1044 . 1 1 136 136 VAL HB H 1 1.84 . . 1 . . . . . . . . 4300 1 1045 . 1 1 136 136 VAL HG11 H 1 0.93 . . 1 . . . . . . . . 4300 1 1046 . 1 1 136 136 VAL HG12 H 1 0.93 . . 1 . . . . . . . . 4300 1 1047 . 1 1 136 136 VAL HG13 H 1 0.93 . . 1 . . . . . . . . 4300 1 1048 . 1 1 136 136 VAL HG21 H 1 0.93 . . 1 . . . . . . . . 4300 1 1049 . 1 1 136 136 VAL HG22 H 1 0.93 . . 1 . . . . . . . . 4300 1 1050 . 1 1 136 136 VAL HG23 H 1 0.93 . . 1 . . . . . . . . 4300 1 1051 . 1 1 136 136 VAL CA C 13 61.88 . . 1 . . . . . . . . 4300 1 1052 . 1 1 136 136 VAL CB C 13 34.94 . . 1 . . . . . . . . 4300 1 1053 . 1 1 136 136 VAL N N 15 130.53 . . 1 . . . . . . . . 4300 1 1054 . 1 1 137 137 PHE H H 1 9.11 . . 1 . . . . . . . . 4300 1 1055 . 1 1 137 137 PHE HA H 1 4.2 . . 1 . . . . . . . . 4300 1 1056 . 1 1 137 137 PHE HB2 H 1 3.25 . . 2 . . . . . . . . 4300 1 1057 . 1 1 137 137 PHE HB3 H 1 3.15 . . 2 . . . . . . . . 4300 1 1058 . 1 1 137 137 PHE CA C 13 59.507 . . 1 . . . . . . . . 4300 1 1059 . 1 1 137 137 PHE CB C 13 39.08 . . 1 . . . . . . . . 4300 1 1060 . 1 1 137 137 PHE N N 15 128.06 . . 1 . . . . . . . . 4300 1 1061 . 1 1 138 138 PRO HA H 1 4.38 . . 1 . . . . . . . . 4300 1 1062 . 1 1 138 138 PRO HB2 H 1 1.92 . . 2 . . . . . . . . 4300 1 1063 . 1 1 138 138 PRO HB3 H 1 1.77 . . 2 . . . . . . . . 4300 1 1064 . 1 1 138 138 PRO HG2 H 1 1.86 . . 2 . . . . . . . . 4300 1 1065 . 1 1 138 138 PRO HG3 H 1 1.9 . . 2 . . . . . . . . 4300 1 1066 . 1 1 138 138 PRO HD2 H 1 3.56 . . 1 . . . . . . . . 4300 1 1067 . 1 1 138 138 PRO HD3 H 1 3.56 . . 1 . . . . . . . . 4300 1 1068 . 1 1 138 138 PRO CA C 13 66.52 . . 1 . . . . . . . . 4300 1 1069 . 1 1 139 139 ASP H H 1 7.42 . . 1 . . . . . . . . 4300 1 1070 . 1 1 139 139 ASP HA H 1 4.4 . . 1 . . . . . . . . 4300 1 1071 . 1 1 139 139 ASP HB2 H 1 2.52 . . 2 . . . . . . . . 4300 1 1072 . 1 1 139 139 ASP HB3 H 1 2.93 . . 2 . . . . . . . . 4300 1 1073 . 1 1 139 139 ASP CA C 13 54.31 . . 1 . . . . . . . . 4300 1 1074 . 1 1 139 139 ASP CB C 13 41.09 . . 1 . . . . . . . . 4300 1 1075 . 1 1 139 139 ASP N N 15 112.78 . . 1 . . . . . . . . 4300 1 1076 . 1 1 140 140 GLY H H 1 8.27 . . 1 . . . . . . . . 4300 1 1077 . 1 1 140 140 GLY HA2 H 1 4.3 . . 2 . . . . . . . . 4300 1 1078 . 1 1 140 140 GLY HA3 H 1 3.42 . . 2 . . . . . . . . 4300 1 1079 . 1 1 140 140 GLY CA C 13 45.59 . . 1 . . . . . . . . 4300 1 1080 . 1 1 140 140 GLY N N 15 109.6 . . 1 . . . . . . . . 4300 1 1081 . 1 1 141 141 GLU H H 1 7.88 . . 1 . . . . . . . . 4300 1 1082 . 1 1 141 141 GLU HA H 1 4.19 . . 1 . . . . . . . . 4300 1 1083 . 1 1 141 141 GLU HB2 H 1 1.66 . . 2 . . . . . . . . 4300 1 1084 . 1 1 141 141 GLU HB3 H 1 1.78 . . 2 . . . . . . . . 4300 1 1085 . 1 1 141 141 GLU HG2 H 1 2.18 . . 2 . . . . . . . . 4300 1 1086 . 1 1 141 141 GLU HG3 H 1 1.96 . . 2 . . . . . . . . 4300 1 1087 . 1 1 141 141 GLU CA C 13 58.02 . . 1 . . . . . . . . 4300 1 1088 . 1 1 141 141 GLU CB C 13 31.26 . . 1 . . . . . . . . 4300 1 1089 . 1 1 141 141 GLU N N 15 123.23 . . 1 . . . . . . . . 4300 1 1090 . 1 1 142 142 MET H H 1 9.13 . . 1 . . . . . . . . 4300 1 1091 . 1 1 142 142 MET HA H 1 4.7 . . 1 . . . . . . . . 4300 1 1092 . 1 1 142 142 MET HB2 H 1 2.16 . . 2 . . . . . . . . 4300 1 1093 . 1 1 142 142 MET HB3 H 1 1.97 . . 2 . . . . . . . . 4300 1 1094 . 1 1 142 142 MET HG2 H 1 2.71 . . 2 . . . . . . . . 4300 1 1095 . 1 1 142 142 MET HG3 H 1 2.55 . . 2 . . . . . . . . 4300 1 1096 . 1 1 142 142 MET CA C 13 56.66 . . 1 . . . . . . . . 4300 1 1097 . 1 1 142 142 MET N N 15 125.15 . . 1 . . . . . . . . 4300 1 1098 . 1 1 143 143 LEU H H 1 8.31 . . 1 . . . . . . . . 4300 1 1099 . 1 1 143 143 LEU HA H 1 4.08 . . 1 . . . . . . . . 4300 1 1100 . 1 1 143 143 LEU HB2 H 1 1.2 . . 1 . . . . . . . . 4300 1 1101 . 1 1 143 143 LEU HB3 H 1 1.2 . . 1 . . . . . . . . 4300 1 1102 . 1 1 143 143 LEU HG H 1 0.9 . . 1 . . . . . . . . 4300 1 1103 . 1 1 143 143 LEU HD11 H 1 0.83 . . 1 . . . . . . . . 4300 1 1104 . 1 1 143 143 LEU HD12 H 1 0.83 . . 1 . . . . . . . . 4300 1 1105 . 1 1 143 143 LEU HD13 H 1 0.83 . . 1 . . . . . . . . 4300 1 1106 . 1 1 143 143 LEU HD21 H 1 0.83 . . 1 . . . . . . . . 4300 1 1107 . 1 1 143 143 LEU HD22 H 1 0.83 . . 1 . . . . . . . . 4300 1 1108 . 1 1 143 143 LEU HD23 H 1 0.83 . . 1 . . . . . . . . 4300 1 1109 . 1 1 143 143 LEU CA C 13 59.53 . . 1 . . . . . . . . 4300 1 1110 . 1 1 143 143 LEU CB C 13 41.27 . . 1 . . . . . . . . 4300 1 1111 . 1 1 143 143 LEU N N 15 129.95 . . 1 . . . . . . . . 4300 1 1112 . 1 1 144 144 ARG H H 1 9.47 . . 1 . . . . . . . . 4300 1 1113 . 1 1 144 144 ARG HA H 1 3.42 . . 1 . . . . . . . . 4300 1 1114 . 1 1 144 144 ARG HB2 H 1 2.01 . . 2 . . . . . . . . 4300 1 1115 . 1 1 144 144 ARG HB3 H 1 1.7 . . 2 . . . . . . . . 4300 1 1116 . 1 1 144 144 ARG HG2 H 1 1.52 . . 1 . . . . . . . . 4300 1 1117 . 1 1 144 144 ARG HG3 H 1 1.52 . . 1 . . . . . . . . 4300 1 1118 . 1 1 144 144 ARG HD2 H 1 3.29 . . 2 . . . . . . . . 4300 1 1119 . 1 1 144 144 ARG HD3 H 1 3.17 . . 2 . . . . . . . . 4300 1 1120 . 1 1 144 144 ARG CA C 13 60.58 . . 1 . . . . . . . . 4300 1 1121 . 1 1 144 144 ARG N N 15 117.59 . . 1 . . . . . . . . 4300 1 1122 . 1 1 145 145 GLN H H 1 6.64 . . 1 . . . . . . . . 4300 1 1123 . 1 1 145 145 GLN HA H 1 4.15 . . 1 . . . . . . . . 4300 1 1124 . 1 1 145 145 GLN HB2 H 1 1.92 . . 2 . . . . . . . . 4300 1 1125 . 1 1 145 145 GLN HB3 H 1 2.15 . . 2 . . . . . . . . 4300 1 1126 . 1 1 145 145 GLN HG2 H 1 2.36 . . 1 . . . . . . . . 4300 1 1127 . 1 1 145 145 GLN CA C 13 58.89 . . 1 . . . . . . . . 4300 1 1128 . 1 1 145 145 GLN N N 15 117.81 . . 1 . . . . . . . . 4300 1 1129 . 1 1 146 146 ILE H H 1 7.77 . . 1 . . . . . . . . 4300 1 1130 . 1 1 146 146 ILE HA H 1 3.54 . . 1 . . . . . . . . 4300 1 1131 . 1 1 146 146 ILE HB H 1 1.7 . . 1 . . . . . . . . 4300 1 1132 . 1 1 146 146 ILE HG12 H 1 0.87 . . 4 . . . . . . . . 4300 1 1133 . 1 1 146 146 ILE HG13 H 1 0.65 . . 4 . . . . . . . . 4300 1 1134 . 1 1 146 146 ILE HD11 H 1 0.37 . . 4 . . . . . . . . 4300 1 1135 . 1 1 146 146 ILE HD12 H 1 0.37 . . 4 . . . . . . . . 4300 1 1136 . 1 1 146 146 ILE HD13 H 1 0.37 . . 4 . . . . . . . . 4300 1 1137 . 1 1 146 146 ILE CA C 13 65.9 . . 1 . . . . . . . . 4300 1 1138 . 1 1 146 146 ILE N N 15 124.56 . . 1 . . . . . . . . 4300 1 1139 . 1 1 147 147 LEU H H 1 7.35 . . 1 . . . . . . . . 4300 1 1140 . 1 1 147 147 LEU HA H 1 3.59 . . 1 . . . . . . . . 4300 1 1141 . 1 1 147 147 LEU HB2 H 1 0.6 . . 2 . . . . . . . . 4300 1 1142 . 1 1 147 147 LEU HB3 H 1 0.99 . . 2 . . . . . . . . 4300 1 1143 . 1 1 147 147 LEU HG H 1 0.78 . . 1 . . . . . . . . 4300 1 1144 . 1 1 147 147 LEU HD11 H 1 -0.58 . . 1 . . . . . . . . 4300 1 1145 . 1 1 147 147 LEU HD12 H 1 -0.58 . . 1 . . . . . . . . 4300 1 1146 . 1 1 147 147 LEU HD13 H 1 -0.58 . . 1 . . . . . . . . 4300 1 1147 . 1 1 147 147 LEU HD21 H 1 -0.64 . . 1 . . . . . . . . 4300 1 1148 . 1 1 147 147 LEU HD22 H 1 -0.64 . . 1 . . . . . . . . 4300 1 1149 . 1 1 147 147 LEU HD23 H 1 -0.64 . . 1 . . . . . . . . 4300 1 1150 . 1 1 147 147 LEU CA C 13 58.39 . . 1 . . . . . . . . 4300 1 1151 . 1 1 147 147 LEU CB C 13 42.53 . . 1 . . . . . . . . 4300 1 1152 . 1 1 147 147 LEU N N 15 118.17 . . 1 . . . . . . . . 4300 1 1153 . 1 1 148 148 HIS H H 1 7.45 . . 1 . . . . . . . . 4300 1 1154 . 1 1 148 148 HIS HA H 1 4.38 . . 1 . . . . . . . . 4300 1 1155 . 1 1 148 148 HIS HB2 H 1 3.77 . . 2 . . . . . . . . 4300 1 1156 . 1 1 148 148 HIS HB3 H 1 3.21 . . 2 . . . . . . . . 4300 1 1157 . 1 1 148 148 HIS CA C 13 59.1 . . 1 . . . . . . . . 4300 1 1158 . 1 1 148 148 HIS N N 15 117.28 . . 1 . . . . . . . . 4300 1 1159 . 1 1 149 149 THR H H 1 8.22 . . 1 . . . . . . . . 4300 1 1160 . 1 1 149 149 THR HA H 1 3.94 . . 1 . . . . . . . . 4300 1 1161 . 1 1 149 149 THR HB H 1 4.09 . . 1 . . . . . . . . 4300 1 1162 . 1 1 149 149 THR HG1 H 1 1.16 . . 1 . . . . . . . . 4300 1 1163 . 1 1 149 149 THR CA C 13 65.6 . . 1 . . . . . . . . 4300 1 1164 . 1 1 149 149 THR N N 15 113.97 . . 1 . . . . . . . . 4300 1 1165 . 1 1 150 150 ARG H H 1 7.74 . . 1 . . . . . . . . 4300 1 1166 . 1 1 150 150 ARG HA H 1 3.93 . . 1 . . . . . . . . 4300 1 1167 . 1 1 150 150 ARG HB2 H 1 2.85 . . 2 . . . . . . . . 4300 1 1168 . 1 1 150 150 ARG HB3 H 1 2.99 . . 2 . . . . . . . . 4300 1 1169 . 1 1 150 150 ARG HG2 H 1 1.13 . . 2 . . . . . . . . 4300 1 1170 . 1 1 150 150 ARG HG3 H 1 0.83 . . 2 . . . . . . . . 4300 1 1171 . 1 1 150 150 ARG CA C 13 56.48 . . 1 . . . . . . . . 4300 1 1172 . 1 1 150 150 ARG N N 15 121.17 . . 1 . . . . . . . . 4300 1 1173 . 1 1 151 151 ALA H H 1 7.46 . . 1 . . . . . . . . 4300 1 1174 . 1 1 151 151 ALA HA H 1 4.01 . . 1 . . . . . . . . 4300 1 1175 . 1 1 151 151 ALA HB1 H 1 1.08 . . 1 . . . . . . . . 4300 1 1176 . 1 1 151 151 ALA HB2 H 1 1.08 . . 1 . . . . . . . . 4300 1 1177 . 1 1 151 151 ALA HB3 H 1 1.08 . . 1 . . . . . . . . 4300 1 1178 . 1 1 151 151 ALA CA C 13 54.1 . . 1 . . . . . . . . 4300 1 1179 . 1 1 151 151 ALA N N 15 122.38 . . 1 . . . . . . . . 4300 1 1180 . 1 1 152 152 PHE H H 1 7.13 . . 1 . . . . . . . . 4300 1 1181 . 1 1 152 152 PHE HA H 1 4.55 . . 1 . . . . . . . . 4300 1 1182 . 1 1 152 152 PHE HB2 H 1 3.3 . . 2 . . . . . . . . 4300 1 1183 . 1 1 152 152 PHE HB3 H 1 2.6 . . 2 . . . . . . . . 4300 1 1184 . 1 1 152 152 PHE CA C 13 58.16 . . 1 . . . . . . . . 4300 1 1185 . 1 1 152 152 PHE N N 15 118.84 . . 1 . . . . . . . . 4300 1 1186 . 1 1 153 153 ASP H H 1 8.71 . . 1 . . . . . . . . 4300 1 1187 . 1 1 153 153 ASP HA H 1 4.48 . . 1 . . . . . . . . 4300 1 1188 . 1 1 153 153 ASP HB2 H 1 2.5 . . 2 . . . . . . . . 4300 1 1189 . 1 1 153 153 ASP HB3 H 1 2.63 . . 2 . . . . . . . . 4300 1 1190 . 1 1 153 153 ASP CA C 13 55.52 . . 1 . . . . . . . . 4300 1 1191 . 1 1 153 153 ASP CB C 13 43.62 . . 1 . . . . . . . . 4300 1 1192 . 1 1 153 153 ASP N N 15 127.12 . . 1 . . . . . . . . 4300 1 1193 . 1 1 154 154 LYS H H 1 8.26 . . 1 . . . . . . . . 4300 1 1194 . 1 1 154 154 LYS HA H 1 2.8 . . 1 . . . . . . . . 4300 1 1195 . 1 1 154 154 LYS HB2 H 1 1.24 . . 1 . . . . . . . . 4300 1 1196 . 1 1 154 154 LYS HB3 H 1 1.24 . . 1 . . . . . . . . 4300 1 1197 . 1 1 154 154 LYS HG2 H 1 0.88 . . 2 . . . . . . . . 4300 1 1198 . 1 1 154 154 LYS HG3 H 1 0.62 . . 2 . . . . . . . . 4300 1 1199 . 1 1 154 154 LYS HD2 H 1 1.27 . . 1 . . . . . . . . 4300 1 1200 . 1 1 154 154 LYS HD3 H 1 1.27 . . 1 . . . . . . . . 4300 1 1201 . 1 1 154 154 LYS HE2 H 1 2.74 . . 1 . . . . . . . . 4300 1 1202 . 1 1 154 154 LYS HE3 H 1 2.74 . . 1 . . . . . . . . 4300 1 1203 . 1 1 154 154 LYS CA C 13 57.5 . . 1 . . . . . . . . 4300 1 1204 . 1 1 154 154 LYS CB C 13 33.06 . . 1 . . . . . . . . 4300 1 1205 . 1 1 154 154 LYS CG C 13 25.6 . . 1 . . . . . . . . 4300 1 1206 . 1 1 154 154 LYS CD C 13 29.72 . . 1 . . . . . . . . 4300 1 1207 . 1 1 154 154 LYS CE C 13 42.8 . . 1 . . . . . . . . 4300 1 1208 . 1 1 154 154 LYS N N 15 124.08 . . 1 . . . . . . . . 4300 1 1209 . 1 1 155 155 LEU H H 1 7.21 . . 1 . . . . . . . . 4300 1 1210 . 1 1 155 155 LEU HA H 1 4.42 . . 1 . . . . . . . . 4300 1 1211 . 1 1 155 155 LEU HB2 H 1 1.37 . . 2 . . . . . . . . 4300 1 1212 . 1 1 155 155 LEU HB3 H 1 1.52 . . 2 . . . . . . . . 4300 1 1213 . 1 1 155 155 LEU HG H 1 0.82 . . 1 . . . . . . . . 4300 1 1214 . 1 1 155 155 LEU HD11 H 1 0.74 . . 1 . . . . . . . . 4300 1 1215 . 1 1 155 155 LEU HD12 H 1 0.74 . . 1 . . . . . . . . 4300 1 1216 . 1 1 155 155 LEU HD13 H 1 0.74 . . 1 . . . . . . . . 4300 1 1217 . 1 1 155 155 LEU HD21 H 1 0.74 . . 1 . . . . . . . . 4300 1 1218 . 1 1 155 155 LEU HD22 H 1 0.74 . . 1 . . . . . . . . 4300 1 1219 . 1 1 155 155 LEU HD23 H 1 0.74 . . 1 . . . . . . . . 4300 1 1220 . 1 1 155 155 LEU CA C 13 54.26 . . 1 . . . . . . . . 4300 1 1221 . 1 1 155 155 LEU CG C 13 23.8 . . 1 . . . . . . . . 4300 1 1222 . 1 1 155 155 LEU CD1 C 13 26.4 . . 1 . . . . . . . . 4300 1 1223 . 1 1 155 155 LEU CD2 C 13 26.4 . . 1 . . . . . . . . 4300 1 1224 . 1 1 155 155 LEU N N 15 124.76 . . 1 . . . . . . . . 4300 1 1225 . 1 1 156 156 ASN H H 1 8.94 . . 1 . . . . . . . . 4300 1 1226 . 1 1 156 156 ASN HA H 1 4.75 . . 1 . . . . . . . . 4300 1 1227 . 1 1 156 156 ASN HB2 H 1 2.77 . . 2 . . . . . . . . 4300 1 1228 . 1 1 156 156 ASN HB3 H 1 2.66 . . 2 . . . . . . . . 4300 1 1229 . 1 1 156 156 ASN CA C 13 53.48 . . 1 . . . . . . . . 4300 1 1230 . 1 1 156 156 ASN CB C 13 40.76 . . 1 . . . . . . . . 4300 1 1231 . 1 1 156 156 ASN N N 15 122.74 . . 1 . . . . . . . . 4300 1 1232 . 1 1 157 157 LYS H H 1 8.45 . . 1 . . . . . . . . 4300 1 1233 . 1 1 157 157 LYS HA H 1 4.35 . . 1 . . . . . . . . 4300 1 1234 . 1 1 157 157 LYS HB2 H 1 1.46 . . 2 . . . . . . . . 4300 1 1235 . 1 1 157 157 LYS HB3 H 1 1.09 . . 2 . . . . . . . . 4300 1 1236 . 1 1 157 157 LYS HG2 H 1 1.88 . . 2 . . . . . . . . 4300 1 1237 . 1 1 157 157 LYS HG3 H 1 2.31 . . 2 . . . . . . . . 4300 1 1238 . 1 1 157 157 LYS CA C 13 57.35 . . 1 . . . . . . . . 4300 1 1239 . 1 1 157 157 LYS CB C 13 29.64 . . 1 . . . . . . . . 4300 1 1240 . 1 1 157 157 LYS CG C 13 26.6 . . 1 . . . . . . . . 4300 1 1241 . 1 1 157 157 LYS N N 15 122.75 . . 1 . . . . . . . . 4300 1 1242 . 1 1 158 158 TRP H H 1 8.54 . . 1 . . . . . . . . 4300 1 1243 . 1 1 158 158 TRP HA H 1 3.77 . . 1 . . . . . . . . 4300 1 1244 . 1 1 158 158 TRP HB2 H 1 3.03 . . 2 . . . . . . . . 4300 1 1245 . 1 1 158 158 TRP HB3 H 1 2.71 . . 2 . . . . . . . . 4300 1 1246 . 1 1 158 158 TRP CA C 13 62.85 . . 1 . . . . . . . . 4300 1 1247 . 1 1 158 158 TRP N N 15 130.56 . . 1 . . . . . . . . 4300 1 stop_ save_