data_16838 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16838 _Entry.Title ; Backbone 1H, 13C, and 15N chemical shift assignments of the extracellular domain of tissue factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-06 _Entry.Accession_date 2010-04-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'extracellular domain of Tissue Factor' _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 John Boettcher . M. . 16838 2 Mary Clay . . . 16838 3 Benjamin LaHood . J . 16838 4 James Morrissey . H. . 16838 5 Chad Rienstra . M. . 16838 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16838 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 543 16838 '15N chemical shifts' 204 16838 '1H chemical shifts' 204 16838 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 2 . . 2010-10-05 2010-04-06 update BMRB 'Update entry citation' 16838 1 . . 2010-06-15 2010-04-06 original author 'original release' 16838 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1BOY . 16838 PDB 1TFH . 16838 PDB 2HFT . 16838 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16838 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20526825 _Citation.Full_citation . _Citation.Title 'Backbone 1H, 13C and 15N resonance assignments of the extracellular domain of tissue factor.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 2 _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 183 _Citation.Page_last 185 _Citation.Year 2010 _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 John Boettcher . M. . 16838 1 2 Mary Clay . C. . 16838 1 3 Benjamin LaHood . J. . 16838 1 4 James Morrissey . H. . 16838 1 5 Chad Rienstra . M. . 16838 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16838 _Assembly.ID 1 _Assembly.Name 'soluble tissue factor' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 'soluble tissue factor' 1 $soluble_tissue_factor A . yes native no no . . . 16838 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 48 48 SG . 1 . 1 CYS 56 56 SG . . 49 CYS SG . . 57 CYS SG 16838 1 2 disulfide single . 1 . 1 CYS 185 185 SG . 1 . 1 CYS 208 208 SG . . 186 CYS SG . . 209 CYS SG 16838 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1BOY . . . . . . 16838 1 yes PDB 1TFH . . . . . . 16838 1 yes PDB 2HFT . . . . . . 16838 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_soluble_tissue_factor _Entity.Sf_category entity _Entity.Sf_framecode soluble_tissue_factor _Entity.Entry_ID 16838 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name soluble_tissue_factor _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 ; ATTNTVAAYNLTWKSTNFKT ILEWEPKPVNQVYTVQISTK SGDWKSKCFYTTDTECDLTD EIVKDVKQTYLARVFSYPAG NVESTGSAGEPLYENSPEFT PYLETNLGQPTIQSFEQVGT KVNVTVEDERTLVRRNNTFL SLRDVFGKDLIYTLYYWKSS SSGKKTAKTNTNEFLIDVDK GENYCFSVQAVIPSRTVNRK STDSPVECMGQEKGEFREGG AAGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residue numbering used for assignments: Sequence starts at 2 to be consistent with residue numbering of crystal structures' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 229 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1AHW . "A Complex Of Extracellular Domain Of Tissue Factor With An Inhibitory Fab (5g9)" . . . . . 95.20 219 99.54 99.54 3.30e-157 . . . . 16838 1 2 no PDB 1BOY . "Extracellular Region Of Human Tissue Factor" . . . . . 95.20 219 99.54 99.54 3.30e-157 . . . . 16838 1 3 no PDB 1DAN . "Complex Of Active Site Inhibited Human Blood Coagulation Factor Viia With Human Recombinant Soluble Tissue Factor" . . . . . 52.84 121 100.00 100.00 3.93e-81 . . . . 16838 1 4 no PDB 1FAK . "Human Tissue Factor Complexed With Coagulation Factor Viia Inhibited With A Bpti-Mutant" . . . . . 89.96 206 100.00 100.00 2.25e-148 . . . . 16838 1 5 no PDB 1J9C . "Crystal Structure Of Tissue Factor-Factor Viia Complex" . . . . . 91.27 210 99.52 99.52 1.20e-149 . . . . 16838 1 6 no PDB 1JPS . "Crystal Structure Of Tissue Factor In Complex With Humanized Fab D3h44" . . . . . 95.20 219 99.54 99.54 3.30e-157 . . . . 16838 1 7 no PDB 1O5D . "Dissecting And Designing Inhibitor Selectivity Determinants At The S1 Site Using An Artificial Ala190 Protease (Ala190 Upa)" . . . . . 95.20 218 99.54 99.54 4.94e-157 . . . . 16838 1 8 no PDB 1TFH . "Extracellular Domain Of Human Tissue Factor" . . . . . 95.20 219 99.54 99.54 3.30e-157 . . . . 16838 1 9 no PDB 1UJ3 . "Crystal Structure Of A Humanized Fab Fragment Of Anti- Tissue-Factor Antibody In Complex With Tissue Factor" . . . . . 89.52 205 100.00 100.00 1.11e-147 . . . . 16838 1 10 no PDB 1W0Y . "Tf7a_3771 Complex" . . . . . 91.27 210 99.52 99.52 1.20e-149 . . . . 16838 1 11 no PDB 1W2K . "Tf7a_4380 Complex" . . . . . 91.27 210 99.52 99.52 1.20e-149 . . . . 16838 1 12 no PDB 1WQV . "Human Factor Viia-Tissue Factor Complexed With Propylsulfonamide-D- Thr-Met-P-Aminobenzamidine" . . . . . 94.76 218 99.54 99.54 1.98e-156 . . . . 16838 1 13 no PDB 1WSS . "Human Factor Viia-tissue Factor In Complex With Peptide-mimetic Inhibitor That Has Two Charged Groups In P2 And P4" . . . . . 94.76 218 99.54 99.54 1.98e-156 . . . . 16838 1 14 no PDB 1WTG . "Human Factor Viia-Tissue Factor Complexed With Ethylsulfonamide-D-Biphenylalanine-Gln-P-Aminobenzamidine" . . . . . 94.76 218 99.54 99.54 1.98e-156 . . . . 16838 1 15 no PDB 1WUN . "Human Factor Viia-Tissue Factor Complexed With Ethylsulfonamide-D-Trp-Gln-P-Aminobenzamidine" . . . . . 94.76 218 99.54 99.54 1.98e-156 . . . . 16838 1 16 no PDB 1WV7 . "Human Factor Viia-tissue Factor Complexed With Ethylsulfonamide-d-5-propoxy-trp-gln-p-aminobenzamidine" . . . . . 94.76 218 99.54 99.54 1.98e-156 . . . . 16838 1 17 no PDB 1Z6J . "Crystal Structure Of A Ternary Complex Of Factor Viia/tissue Factor/pyrazinone Inhibitor" . . . . . 91.70 211 99.52 99.52 1.63e-150 . . . . 16838 1 18 no PDB 2A2Q . "Complex Of Active-Site Inhibited Human Coagulation Factor Viia With Human Soluble Tissue Factor In The Presence Of Ca2+, Mg2+, " . . . . . 89.52 205 100.00 100.00 1.11e-147 . . . . 16838 1 19 no PDB 2AEI . "Crystal Structure Of A Ternary Complex Of Factor ViiaTISSUE FACTOR And 2-[[6-[3-(Aminoiminomethyl)phenoxy]-3,5-Difluro-4-[(1-Me" . . . . . 91.70 211 99.52 99.52 1.63e-150 . . . . 16838 1 20 no PDB 2AER . "Crystal Structure Of Benzamidine-Factor ViiaSOLUBLE TISSUE Factor Complex" . . . . . 89.52 206 100.00 100.00 9.33e-148 . . . . 16838 1 21 no PDB 2B7D . "Factor Viia Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, And Efficacy In A Baboon Thrombo" . . . . . 95.20 218 99.54 99.54 4.94e-157 . . . . 16838 1 22 no PDB 2B8O . "Crystal Structure Of Glu-gly-arg-chloromethyl Ketone-factor Viia/soluble Tissue Factor Complex" . . . . . 89.52 205 100.00 100.00 1.11e-147 . . . . 16838 1 23 no PDB 2EC9 . "Crystal Structure Analysis Of Human Factor Viia , Souluble Tissue Factor Complexed With Bcx-3607" . . . . . 52.40 120 100.00 100.00 3.11e-80 . . . . 16838 1 24 no PDB 2F9B . "Discovery Of Novel Heterocyclic Factor Viia Inhibitors" . . . . . 95.20 218 99.54 99.54 4.94e-157 . . . . 16838 1 25 no PDB 2FIR . "Crystal Structure Of Dfpr-ViiaSTF" . . . . . 89.52 205 100.00 100.00 1.11e-147 . . . . 16838 1 26 no PDB 2FLB . "Discovery Of A Novel Hydroxy Pyrazole Based Factor Ixa Inhibitor" . . . . . 95.20 218 99.54 99.54 4.94e-157 . . . . 16838 1 27 no PDB 2FLR . "Novel 5-azaindole Factor Viia Inhibitors" . . . . . 95.20 218 99.54 99.54 4.94e-157 . . . . 16838 1 28 no PDB 2PUQ . "Crystal Structure Of Active Site Inhibited Coagulation Factor Viia In Complex With Soluble Tissue Factor" . . . . . 89.08 204 100.00 100.00 1.72e-146 . . . . 16838 1 29 no PDB 2ZP0 . "Human Factor Viia-Tissue Factor Complexed With Benzylsulfonamide-D- Ile-Gln-P-Aminobenzamidine" . . . . . 94.76 218 99.54 99.54 1.98e-156 . . . . 16838 1 30 no PDB 2ZWL . "Human Factor Viia-Tissue Factor Complexed With Highly Selective Peptide Inhibitor" . . . . . 94.76 218 99.54 99.54 1.98e-156 . . . . 16838 1 31 no PDB 2ZZU . "Human Factor Viia-Tissue Factor Complexed With Ethylsulfonamide-D-5- (3-Carboxybenzyloxy)-Trp-Gln-P-Aminobenzamidine" . . . . . 94.76 218 99.54 99.54 1.98e-156 . . . . 16838 1 32 no PDB 3ELA . "Crystal Structure Of Active Site Inhibited Coagulation Factor Viia Mutant In Complex With Soluble Tissue Factor" . . . . . 90.83 209 99.52 99.52 1.48e-148 . . . . 16838 1 33 no PDB 3TH2 . "Mg2+ Is Required For Optimal Folding Of The Gamma-carboxyglutamic Acid (gla) Domains Of Vitamin K-dependent Clotting Factors At" . . . . . 89.52 205 100.00 100.00 1.11e-147 . . . . 16838 1 34 no PDB 3TH3 . "Mg2+ Is Required For Optimal Folding Of The Gamma-Carboxyglutamic Acid (Gla) Domains Of Vitamin K-Dependent Clotting Factors At" . . . . . 89.52 205 100.00 100.00 1.11e-147 . . . . 16838 1 35 no PDB 3TH4 . "Mg2+ Is Required For Optimal Folding Of The Gamma-carboxyglutamic Acid (gla) Domains Of Vitamin K-dependent Clotting Factors At" . . . . . 89.52 205 100.00 100.00 1.11e-147 . . . . 16838 1 36 no PDB 4IBL . "Rubidium Sites In Blood Coagulation Factor Viia" . . . . . 95.20 219 99.54 99.54 3.30e-157 . . . . 16838 1 37 no DBJ BAG35522 . "unnamed protein product [Homo sapiens]" . . . . . 95.20 295 99.08 99.08 2.07e-155 . . . . 16838 1 38 no DBJ BAI46540 . "coagulation factor III [synthetic construct]" . . . . . 95.20 295 99.54 99.54 3.69e-156 . . . . 16838 1 39 no EMBL CAG46591 . "F3 [Homo sapiens]" . . . . . 95.20 295 99.54 99.54 3.69e-156 . . . . 16838 1 40 no GB AAA36734 . "tissue factor precursor [Homo sapiens]" . . . . . 95.20 295 99.54 99.54 3.69e-156 . . . . 16838 1 41 no GB AAA61150 . "tissue factor versions 1 and 2 precursor [Homo sapiens]" . . . . . 95.20 295 99.54 99.54 3.69e-156 . . . . 16838 1 42 no GB AAA61151 . "tissue factor precursor [Homo sapiens]" . . . . . 95.20 295 99.54 99.54 2.78e-156 . . . . 16838 1 43 no GB AAA61152 . "tissue factor [Homo sapiens]" . . . . . 95.20 295 99.54 99.54 3.69e-156 . . . . 16838 1 44 no GB AAH11029 . "Coagulation factor III (thromboplastin, tissue factor) [Homo sapiens]" . . . . . 95.20 295 99.54 99.54 3.69e-156 . . . . 16838 1 45 no REF NP_001171567 . "tissue factor isoform 2 precursor [Homo sapiens]" . . . . . 72.05 238 99.39 99.39 9.50e-114 . . . . 16838 1 46 no REF NP_001984 . "tissue factor isoform 1 precursor [Homo sapiens]" . . . . . 95.20 295 99.54 99.54 3.69e-156 . . . . 16838 1 47 no REF XP_001156332 . "PREDICTED: tissue factor isoform X2 [Pan troglodytes]" . . . . . 72.05 238 98.18 99.39 2.92e-113 . . . . 16838 1 48 no REF XP_001156450 . "PREDICTED: tissue factor isoform X1 [Pan troglodytes]" . . . . . 95.20 295 98.17 99.08 1.33e-154 . . . . 16838 1 49 no REF XP_003808492 . "PREDICTED: tissue factor isoform X1 [Pan paniscus]" . . . . . 95.20 295 98.17 99.08 9.90e-155 . . . . 16838 1 50 no SP P13726 . "RecName: Full=Tissue factor; Short=TF; AltName: Full=Coagulation factor III; AltName: Full=Thromboplastin; AltName: CD_antigen=" . . . . . 95.20 295 99.54 99.54 3.69e-156 . . . . 16838 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Tissue factor initiates the blood coagulation cascade upon forming a complex with factor VIIa' 16838 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 2 ALA . 16838 1 2 3 THR . 16838 1 3 4 THR . 16838 1 4 5 ASN . 16838 1 5 6 THR . 16838 1 6 7 VAL . 16838 1 7 8 ALA . 16838 1 8 9 ALA . 16838 1 9 10 TYR . 16838 1 10 11 ASN . 16838 1 11 12 LEU . 16838 1 12 13 THR . 16838 1 13 14 TRP . 16838 1 14 15 LYS . 16838 1 15 16 SER . 16838 1 16 17 THR . 16838 1 17 18 ASN . 16838 1 18 19 PHE . 16838 1 19 20 LYS . 16838 1 20 21 THR . 16838 1 21 22 ILE . 16838 1 22 23 LEU . 16838 1 23 24 GLU . 16838 1 24 25 TRP . 16838 1 25 26 GLU . 16838 1 26 27 PRO . 16838 1 27 28 LYS . 16838 1 28 29 PRO . 16838 1 29 30 VAL . 16838 1 30 31 ASN . 16838 1 31 32 GLN . 16838 1 32 33 VAL . 16838 1 33 34 TYR . 16838 1 34 35 THR . 16838 1 35 36 VAL . 16838 1 36 37 GLN . 16838 1 37 38 ILE . 16838 1 38 39 SER . 16838 1 39 40 THR . 16838 1 40 41 LYS . 16838 1 41 42 SER . 16838 1 42 43 GLY . 16838 1 43 44 ASP . 16838 1 44 45 TRP . 16838 1 45 46 LYS . 16838 1 46 47 SER . 16838 1 47 48 LYS . 16838 1 48 49 CYS . 16838 1 49 50 PHE . 16838 1 50 51 TYR . 16838 1 51 52 THR . 16838 1 52 53 THR . 16838 1 53 54 ASP . 16838 1 54 55 THR . 16838 1 55 56 GLU . 16838 1 56 57 CYS . 16838 1 57 58 ASP . 16838 1 58 59 LEU . 16838 1 59 60 THR . 16838 1 60 61 ASP . 16838 1 61 62 GLU . 16838 1 62 63 ILE . 16838 1 63 64 VAL . 16838 1 64 65 LYS . 16838 1 65 66 ASP . 16838 1 66 67 VAL . 16838 1 67 68 LYS . 16838 1 68 69 GLN . 16838 1 69 70 THR . 16838 1 70 71 TYR . 16838 1 71 72 LEU . 16838 1 72 73 ALA . 16838 1 73 74 ARG . 16838 1 74 75 VAL . 16838 1 75 76 PHE . 16838 1 76 77 SER . 16838 1 77 78 TYR . 16838 1 78 79 PRO . 16838 1 79 80 ALA . 16838 1 80 81 GLY . 16838 1 81 82 ASN . 16838 1 82 83 VAL . 16838 1 83 84 GLU . 16838 1 84 85 SER . 16838 1 85 86 THR . 16838 1 86 87 GLY . 16838 1 87 88 SER . 16838 1 88 89 ALA . 16838 1 89 90 GLY . 16838 1 90 91 GLU . 16838 1 91 92 PRO . 16838 1 92 93 LEU . 16838 1 93 94 TYR . 16838 1 94 95 GLU . 16838 1 95 96 ASN . 16838 1 96 97 SER . 16838 1 97 98 PRO . 16838 1 98 99 GLU . 16838 1 99 100 PHE . 16838 1 100 101 THR . 16838 1 101 102 PRO . 16838 1 102 103 TYR . 16838 1 103 104 LEU . 16838 1 104 105 GLU . 16838 1 105 106 THR . 16838 1 106 107 ASN . 16838 1 107 108 LEU . 16838 1 108 109 GLY . 16838 1 109 110 GLN . 16838 1 110 111 PRO . 16838 1 111 112 THR . 16838 1 112 113 ILE . 16838 1 113 114 GLN . 16838 1 114 115 SER . 16838 1 115 116 PHE . 16838 1 116 117 GLU . 16838 1 117 118 GLN . 16838 1 118 119 VAL . 16838 1 119 120 GLY . 16838 1 120 121 THR . 16838 1 121 122 LYS . 16838 1 122 123 VAL . 16838 1 123 124 ASN . 16838 1 124 125 VAL . 16838 1 125 126 THR . 16838 1 126 127 VAL . 16838 1 127 128 GLU . 16838 1 128 129 ASP . 16838 1 129 130 GLU . 16838 1 130 131 ARG . 16838 1 131 132 THR . 16838 1 132 133 LEU . 16838 1 133 134 VAL . 16838 1 134 135 ARG . 16838 1 135 136 ARG . 16838 1 136 137 ASN . 16838 1 137 138 ASN . 16838 1 138 139 THR . 16838 1 139 140 PHE . 16838 1 140 141 LEU . 16838 1 141 142 SER . 16838 1 142 143 LEU . 16838 1 143 144 ARG . 16838 1 144 145 ASP . 16838 1 145 146 VAL . 16838 1 146 147 PHE . 16838 1 147 148 GLY . 16838 1 148 149 LYS . 16838 1 149 150 ASP . 16838 1 150 151 LEU . 16838 1 151 152 ILE . 16838 1 152 153 TYR . 16838 1 153 154 THR . 16838 1 154 155 LEU . 16838 1 155 156 TYR . 16838 1 156 157 TYR . 16838 1 157 158 TRP . 16838 1 158 159 LYS . 16838 1 159 160 SER . 16838 1 160 161 SER . 16838 1 161 162 SER . 16838 1 162 163 SER . 16838 1 163 164 GLY . 16838 1 164 165 LYS . 16838 1 165 166 LYS . 16838 1 166 167 THR . 16838 1 167 168 ALA . 16838 1 168 169 LYS . 16838 1 169 170 THR . 16838 1 170 171 ASN . 16838 1 171 172 THR . 16838 1 172 173 ASN . 16838 1 173 174 GLU . 16838 1 174 175 PHE . 16838 1 175 176 LEU . 16838 1 176 177 ILE . 16838 1 177 178 ASP . 16838 1 178 179 VAL . 16838 1 179 180 ASP . 16838 1 180 181 LYS . 16838 1 181 182 GLY . 16838 1 182 183 GLU . 16838 1 183 184 ASN . 16838 1 184 185 TYR . 16838 1 185 186 CYS . 16838 1 186 187 PHE . 16838 1 187 188 SER . 16838 1 188 189 VAL . 16838 1 189 190 GLN . 16838 1 190 191 ALA . 16838 1 191 192 VAL . 16838 1 192 193 ILE . 16838 1 193 194 PRO . 16838 1 194 195 SER . 16838 1 195 196 ARG . 16838 1 196 197 THR . 16838 1 197 198 VAL . 16838 1 198 199 ASN . 16838 1 199 200 ARG . 16838 1 200 201 LYS . 16838 1 201 202 SER . 16838 1 202 203 THR . 16838 1 203 204 ASP . 16838 1 204 205 SER . 16838 1 205 206 PRO . 16838 1 206 207 VAL . 16838 1 207 208 GLU . 16838 1 208 209 CYS . 16838 1 209 210 MET . 16838 1 210 211 GLY . 16838 1 211 212 GLN . 16838 1 212 213 GLU . 16838 1 213 214 LYS . 16838 1 214 215 GLY . 16838 1 215 216 GLU . 16838 1 216 217 PHE . 16838 1 217 218 ARG . 16838 1 218 219 GLU . 16838 1 219 220 GLY . 16838 1 220 221 GLY . 16838 1 221 222 ALA . 16838 1 222 223 ALA . 16838 1 223 224 GLY . 16838 1 224 225 HIS . 16838 1 225 226 HIS . 16838 1 226 227 HIS . 16838 1 227 228 HIS . 16838 1 228 229 HIS . 16838 1 229 230 HIS . 16838 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 16838 1 . THR 2 2 16838 1 . THR 3 3 16838 1 . ASN 4 4 16838 1 . THR 5 5 16838 1 . VAL 6 6 16838 1 . ALA 7 7 16838 1 . ALA 8 8 16838 1 . TYR 9 9 16838 1 . ASN 10 10 16838 1 . LEU 11 11 16838 1 . THR 12 12 16838 1 . TRP 13 13 16838 1 . LYS 14 14 16838 1 . SER 15 15 16838 1 . THR 16 16 16838 1 . ASN 17 17 16838 1 . PHE 18 18 16838 1 . LYS 19 19 16838 1 . THR 20 20 16838 1 . ILE 21 21 16838 1 . LEU 22 22 16838 1 . GLU 23 23 16838 1 . TRP 24 24 16838 1 . GLU 25 25 16838 1 . PRO 26 26 16838 1 . LYS 27 27 16838 1 . PRO 28 28 16838 1 . VAL 29 29 16838 1 . ASN 30 30 16838 1 . GLN 31 31 16838 1 . VAL 32 32 16838 1 . TYR 33 33 16838 1 . THR 34 34 16838 1 . VAL 35 35 16838 1 . GLN 36 36 16838 1 . ILE 37 37 16838 1 . SER 38 38 16838 1 . THR 39 39 16838 1 . LYS 40 40 16838 1 . SER 41 41 16838 1 . GLY 42 42 16838 1 . ASP 43 43 16838 1 . TRP 44 44 16838 1 . LYS 45 45 16838 1 . SER 46 46 16838 1 . LYS 47 47 16838 1 . CYS 48 48 16838 1 . PHE 49 49 16838 1 . TYR 50 50 16838 1 . THR 51 51 16838 1 . THR 52 52 16838 1 . ASP 53 53 16838 1 . THR 54 54 16838 1 . GLU 55 55 16838 1 . CYS 56 56 16838 1 . ASP 57 57 16838 1 . LEU 58 58 16838 1 . THR 59 59 16838 1 . ASP 60 60 16838 1 . GLU 61 61 16838 1 . ILE 62 62 16838 1 . VAL 63 63 16838 1 . LYS 64 64 16838 1 . ASP 65 65 16838 1 . VAL 66 66 16838 1 . LYS 67 67 16838 1 . GLN 68 68 16838 1 . THR 69 69 16838 1 . TYR 70 70 16838 1 . LEU 71 71 16838 1 . ALA 72 72 16838 1 . ARG 73 73 16838 1 . VAL 74 74 16838 1 . PHE 75 75 16838 1 . SER 76 76 16838 1 . TYR 77 77 16838 1 . PRO 78 78 16838 1 . ALA 79 79 16838 1 . GLY 80 80 16838 1 . ASN 81 81 16838 1 . VAL 82 82 16838 1 . GLU 83 83 16838 1 . SER 84 84 16838 1 . THR 85 85 16838 1 . GLY 86 86 16838 1 . SER 87 87 16838 1 . ALA 88 88 16838 1 . GLY 89 89 16838 1 . GLU 90 90 16838 1 . PRO 91 91 16838 1 . LEU 92 92 16838 1 . TYR 93 93 16838 1 . GLU 94 94 16838 1 . ASN 95 95 16838 1 . SER 96 96 16838 1 . PRO 97 97 16838 1 . GLU 98 98 16838 1 . PHE 99 99 16838 1 . THR 100 100 16838 1 . PRO 101 101 16838 1 . TYR 102 102 16838 1 . LEU 103 103 16838 1 . GLU 104 104 16838 1 . THR 105 105 16838 1 . ASN 106 106 16838 1 . LEU 107 107 16838 1 . GLY 108 108 16838 1 . GLN 109 109 16838 1 . PRO 110 110 16838 1 . THR 111 111 16838 1 . ILE 112 112 16838 1 . GLN 113 113 16838 1 . SER 114 114 16838 1 . PHE 115 115 16838 1 . GLU 116 116 16838 1 . GLN 117 117 16838 1 . VAL 118 118 16838 1 . GLY 119 119 16838 1 . THR 120 120 16838 1 . LYS 121 121 16838 1 . VAL 122 122 16838 1 . ASN 123 123 16838 1 . VAL 124 124 16838 1 . THR 125 125 16838 1 . VAL 126 126 16838 1 . GLU 127 127 16838 1 . ASP 128 128 16838 1 . GLU 129 129 16838 1 . ARG 130 130 16838 1 . THR 131 131 16838 1 . LEU 132 132 16838 1 . VAL 133 133 16838 1 . ARG 134 134 16838 1 . ARG 135 135 16838 1 . ASN 136 136 16838 1 . ASN 137 137 16838 1 . THR 138 138 16838 1 . PHE 139 139 16838 1 . LEU 140 140 16838 1 . SER 141 141 16838 1 . LEU 142 142 16838 1 . ARG 143 143 16838 1 . ASP 144 144 16838 1 . VAL 145 145 16838 1 . PHE 146 146 16838 1 . GLY 147 147 16838 1 . LYS 148 148 16838 1 . ASP 149 149 16838 1 . LEU 150 150 16838 1 . ILE 151 151 16838 1 . TYR 152 152 16838 1 . THR 153 153 16838 1 . LEU 154 154 16838 1 . TYR 155 155 16838 1 . TYR 156 156 16838 1 . TRP 157 157 16838 1 . LYS 158 158 16838 1 . SER 159 159 16838 1 . SER 160 160 16838 1 . SER 161 161 16838 1 . SER 162 162 16838 1 . GLY 163 163 16838 1 . LYS 164 164 16838 1 . LYS 165 165 16838 1 . THR 166 166 16838 1 . ALA 167 167 16838 1 . LYS 168 168 16838 1 . THR 169 169 16838 1 . ASN 170 170 16838 1 . THR 171 171 16838 1 . ASN 172 172 16838 1 . GLU 173 173 16838 1 . PHE 174 174 16838 1 . LEU 175 175 16838 1 . ILE 176 176 16838 1 . ASP 177 177 16838 1 . VAL 178 178 16838 1 . ASP 179 179 16838 1 . LYS 180 180 16838 1 . GLY 181 181 16838 1 . GLU 182 182 16838 1 . ASN 183 183 16838 1 . TYR 184 184 16838 1 . CYS 185 185 16838 1 . PHE 186 186 16838 1 . SER 187 187 16838 1 . VAL 188 188 16838 1 . GLN 189 189 16838 1 . ALA 190 190 16838 1 . VAL 191 191 16838 1 . ILE 192 192 16838 1 . PRO 193 193 16838 1 . SER 194 194 16838 1 . ARG 195 195 16838 1 . THR 196 196 16838 1 . VAL 197 197 16838 1 . ASN 198 198 16838 1 . ARG 199 199 16838 1 . LYS 200 200 16838 1 . SER 201 201 16838 1 . THR 202 202 16838 1 . ASP 203 203 16838 1 . SER 204 204 16838 1 . PRO 205 205 16838 1 . VAL 206 206 16838 1 . GLU 207 207 16838 1 . CYS 208 208 16838 1 . MET 209 209 16838 1 . GLY 210 210 16838 1 . GLN 211 211 16838 1 . GLU 212 212 16838 1 . LYS 213 213 16838 1 . GLY 214 214 16838 1 . GLU 215 215 16838 1 . PHE 216 216 16838 1 . ARG 217 217 16838 1 . GLU 218 218 16838 1 . GLY 219 219 16838 1 . GLY 220 220 16838 1 . ALA 221 221 16838 1 . ALA 222 222 16838 1 . GLY 223 223 16838 1 . HIS 224 224 16838 1 . HIS 225 225 16838 1 . HIS 226 226 16838 1 . HIS 227 227 16838 1 . HIS 228 228 16838 1 . HIS 229 229 16838 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16838 _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 $soluble_tissue_factor . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16838 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 16838 _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 $soluble_tissue_factor . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pJH677 . . . . . . 16838 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16838 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM protein sample in a 50 mM phosphate buffer, pH 6.5 and 50 mM NaCl' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _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 'soluble tissue factor' '[U-13C; U-15N; U-2H]' . . 1 $soluble_tissue_factor . . 1 . . mM . . . . 16838 1 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 16838 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 16838 1 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 16838 _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 'ionic strength' 90 . mM 16838 1 pH 6.5 . pH 16838 1 pressure 1 . atm 16838 1 temperature 308 . K 16838 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16838 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16838 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16838 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16838 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16838 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16838 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16838 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16838 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16838 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Unity . 750 . . . 16838 1 2 spectrometer_2 Varian Unity . 600 . . . 16838 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16838 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16838 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16838 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16838 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16838 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16838 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 16838 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16838 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16838 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16838 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16838 _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 0.050 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '2D 1H-15N HSQC' . . . 16838 1 2 '3D HNCACB' . . . 16838 1 3 '3D HNCO' . . . 16838 1 4 '3D HN(CO)CA' . . . 16838 1 5 '3D HN(CA)CO' . . . 16838 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA CA C 13 52.971 0.2 . 1 . . . . 2 A CA . 16838 1 2 . 1 1 2 2 THR H H 1 7.069 0.050 . 1 . . . . 3 T HN . 16838 1 3 . 1 1 2 2 THR C C 13 173.263 0.2 . 1 . . . . 3 T CO . 16838 1 4 . 1 1 2 2 THR CA C 13 62.072 0.2 . 1 . . . . 3 T CA . 16838 1 5 . 1 1 2 2 THR N N 15 118.361 0.2 . 1 . . . . 3 T N . 16838 1 6 . 1 1 3 3 THR H H 1 9.404 0.050 . 1 . . . . 4 T HN . 16838 1 7 . 1 1 3 3 THR C C 13 174.134 0.2 . 1 . . . . 4 T CO . 16838 1 8 . 1 1 3 3 THR CA C 13 61.195 0.2 . 1 . . . . 4 T CA . 16838 1 9 . 1 1 3 3 THR CB C 13 66.611 0.2 . 1 . . . . 4 T CB . 16838 1 10 . 1 1 3 3 THR N N 15 125.552 0.2 . 1 . . . . 4 T N . 16838 1 11 . 1 1 4 4 ASN H H 1 8.481 0.050 . 1 . . . . 5 N HN . 16838 1 12 . 1 1 4 4 ASN C C 13 174.854 0.2 . 1 . . . . 5 N CO . 16838 1 13 . 1 1 4 4 ASN CA C 13 52.683 0.2 . 1 . . . . 5 N CA . 16838 1 14 . 1 1 4 4 ASN CB C 13 38.742 0.2 . 1 . . . . 5 N CB . 16838 1 15 . 1 1 4 4 ASN N N 15 120.841 0.2 . 1 . . . . 5 N N . 16838 1 16 . 1 1 5 5 THR H H 1 7.828 0.050 . 1 . . . . 6 T HN . 16838 1 17 . 1 1 5 5 THR C C 13 173.548 0.2 . 1 . . . . 6 T CO . 16838 1 18 . 1 1 5 5 THR CA C 13 60.822 0.2 . 1 . . . . 6 T CA . 16838 1 19 . 1 1 5 5 THR CB C 13 70.065 0.2 . 1 . . . . 6 T CB . 16838 1 20 . 1 1 5 5 THR N N 15 113.819 0.2 . 1 . . . . 6 T N . 16838 1 21 . 1 1 6 6 VAL H H 1 9.155 0.050 . 1 . . . . 7 V HN . 16838 1 22 . 1 1 6 6 VAL C C 13 176.279 0.2 . 1 . . . . 7 V CO . 16838 1 23 . 1 1 6 6 VAL CA C 13 60.225 0.2 . 1 . . . . 7 V CA . 16838 1 24 . 1 1 6 6 VAL CB C 13 33.991 0.2 . 1 . . . . 7 V CB . 16838 1 25 . 1 1 6 6 VAL N N 15 120.606 0.2 . 1 . . . . 7 V N . 16838 1 26 . 1 1 7 7 ALA H H 1 8.67 0.050 . 1 . . . . 8 A HN . 16838 1 27 . 1 1 7 7 ALA C C 13 176.19 0.2 . 1 . . . . 8 A CO . 16838 1 28 . 1 1 7 7 ALA CA C 13 51.554 0.2 . 1 . . . . 8 A CA . 16838 1 29 . 1 1 7 7 ALA CB C 13 18.881 0.2 . 1 . . . . 8 A CB . 16838 1 30 . 1 1 7 7 ALA N N 15 129.815 0.2 . 1 . . . . 8 A N . 16838 1 31 . 1 1 8 8 ALA H H 1 8.699 0.050 . 1 . . . . 9 A HN . 16838 1 32 . 1 1 8 8 ALA C C 13 175.62 0.2 . 1 . . . . 9 A CO . 16838 1 33 . 1 1 8 8 ALA CA C 13 50.757 0.2 . 1 . . . . 9 A CA . 16838 1 34 . 1 1 8 8 ALA N N 15 122.891 0.2 . 1 . . . . 9 A N . 16838 1 35 . 1 1 9 9 TYR H H 1 8.54 0.050 . 1 . . . . 10 Y HN . 16838 1 36 . 1 1 9 9 TYR C C 13 173.472 0.2 . 1 . . . . 10 Y CO . 16838 1 37 . 1 1 9 9 TYR CA C 13 55.227 0.2 . 1 . . . . 10 Y CA . 16838 1 38 . 1 1 9 9 TYR CB C 13 39.083 0.2 . 1 . . . . 10 Y CB . 16838 1 39 . 1 1 9 9 TYR N N 15 113.171 0.2 . 1 . . . . 10 Y N . 16838 1 40 . 1 1 10 10 ASN H H 1 8.897 0.050 . 1 . . . . 11 N HN . 16838 1 41 . 1 1 10 10 ASN C C 13 175.131 0.2 . 1 . . . . 11 N CO . 16838 1 42 . 1 1 10 10 ASN CA C 13 53.072 0.2 . 1 . . . . 11 N CA . 16838 1 43 . 1 1 10 10 ASN CB C 13 35.925 0.2 . 1 . . . . 11 N CB . 16838 1 44 . 1 1 10 10 ASN N N 15 116.184 0.2 . 1 . . . . 11 N N . 16838 1 45 . 1 1 11 11 LEU H H 1 7.97 0.050 . 1 . . . . 12 L HN . 16838 1 46 . 1 1 11 11 LEU C C 13 177.204 0.2 . 1 . . . . 12 L CO . 16838 1 47 . 1 1 11 11 LEU CA C 13 57.342 0.2 . 1 . . . . 12 L CA . 16838 1 48 . 1 1 11 11 LEU CB C 13 40.859 0.2 . 1 . . . . 12 L CB . 16838 1 49 . 1 1 11 11 LEU N N 15 121.178 0.2 . 1 . . . . 12 L N . 16838 1 50 . 1 1 12 12 THR H H 1 9.218 0.050 . 1 . . . . 13 T HN . 16838 1 51 . 1 1 12 12 THR C C 13 171.768 0.2 . 1 . . . . 13 T CO . 16838 1 52 . 1 1 12 12 THR CA C 13 60.91 0.2 . 1 . . . . 13 T CA . 16838 1 53 . 1 1 12 12 THR CB C 13 72.027 0.2 . 1 . . . . 13 T CB . 16838 1 54 . 1 1 12 12 THR N N 15 118.811 0.2 . 1 . . . . 13 T N . 16838 1 55 . 1 1 13 13 TRP H H 1 8.592 0.050 . 1 . . . . 14 W HN . 16838 1 56 . 1 1 13 13 TRP C C 13 175.558 0.2 . 1 . . . . 14 W CO . 16838 1 57 . 1 1 13 13 TRP CA C 13 55.722 0.2 . 1 . . . . 14 W CA . 16838 1 58 . 1 1 13 13 TRP CB C 13 28.547 0.2 . 1 . . . . 14 W CB . 16838 1 59 . 1 1 13 13 TRP N N 15 125.506 0.2 . 1 . . . . 14 W N . 16838 1 60 . 1 1 14 14 LYS H H 1 9.147 0.050 . 1 . . . . 15 K HN . 16838 1 61 . 1 1 14 14 LYS C C 13 174.448 0.2 . 1 . . . . 15 K CO . 16838 1 62 . 1 1 14 14 LYS CA C 13 55.322 0.2 . 1 . . . . 15 K CA . 16838 1 63 . 1 1 14 14 LYS N N 15 116.423 0.2 . 1 . . . . 15 K N . 16838 1 64 . 1 1 15 15 SER C C 13 176.282 0.2 . 1 . . . . 16 S CO . 16838 1 65 . 1 1 15 15 SER CA C 13 56.387 0.2 . 1 . . . . 16 S CA . 16838 1 66 . 1 1 16 16 THR H H 1 8.207 0.050 . 1 . . . . 17 T HN . 16838 1 67 . 1 1 16 16 THR C C 13 173.544 0.2 . 1 . . . . 17 T CO . 16838 1 68 . 1 1 16 16 THR CA C 13 60.221 0.2 . 1 . . . . 17 T CA . 16838 1 69 . 1 1 16 16 THR CB C 13 72.095 0.2 . 1 . . . . 17 T CB . 16838 1 70 . 1 1 16 16 THR N N 15 114.085 0.2 . 1 . . . . 17 T N . 16838 1 71 . 1 1 17 17 ASN H H 1 8.774 0.050 . 1 . . . . 18 N HN . 16838 1 72 . 1 1 17 17 ASN C C 13 175.133 0.2 . 1 . . . . 18 N CO . 16838 1 73 . 1 1 17 17 ASN CA C 13 51.003 0.2 . 1 . . . . 18 N CA . 16838 1 74 . 1 1 17 17 ASN CB C 13 40.985 0.2 . 1 . . . . 18 N CB . 16838 1 75 . 1 1 17 17 ASN N N 15 125.72 0.2 . 1 . . . . 18 N N . 16838 1 76 . 1 1 18 18 PHE H H 1 8.684 0.050 . 1 . . . . 19 F HN . 16838 1 77 . 1 1 18 18 PHE C C 13 174.94 0.2 . 1 . . . . 19 F CO . 16838 1 78 . 1 1 18 18 PHE CA C 13 61.007 0.2 . 1 . . . . 19 F CA . 16838 1 79 . 1 1 18 18 PHE N N 15 126.373 0.2 . 1 . . . . 19 F N . 16838 1 80 . 1 1 19 19 LYS H H 1 8.178 0.050 . 1 . . . . 20 K HN . 16838 1 81 . 1 1 19 19 LYS C C 13 176.561 0.2 . 1 . . . . 20 K CO . 16838 1 82 . 1 1 19 19 LYS CA C 13 54.278 0.2 . 1 . . . . 20 K CA . 16838 1 83 . 1 1 19 19 LYS N N 15 120.811 0.2 . 1 . . . . 20 K N . 16838 1 84 . 1 1 20 20 THR H H 1 9.059 0.050 . 1 . . . . 21 T HN . 16838 1 85 . 1 1 20 20 THR C C 13 173.67 0.2 . 1 . . . . 21 T CO . 16838 1 86 . 1 1 20 20 THR CA C 13 59.255 0.2 . 1 . . . . 21 T CA . 16838 1 87 . 1 1 20 20 THR N N 15 121.585 0.2 . 1 . . . . 21 T N . 16838 1 88 . 1 1 21 21 ILE H H 1 8.732 0.050 . 1 . . . . 22 I HN . 16838 1 89 . 1 1 21 21 ILE N N 15 118.907 0.2 . 1 . . . . 22 I N . 16838 1 90 . 1 1 22 22 LEU C C 13 176.734 0.2 . 1 . . . . 23 L CO . 16838 1 91 . 1 1 22 22 LEU CA C 13 53.454 0.2 . 1 . . . . 23 L CA . 16838 1 92 . 1 1 23 23 GLU H H 1 9.005 0.050 . 1 . . . . 24 E HN . 16838 1 93 . 1 1 23 23 GLU C C 13 174.532 0.2 . 1 . . . . 24 E CO . 16838 1 94 . 1 1 23 23 GLU CA C 13 54.043 0.2 . 1 . . . . 24 E CA . 16838 1 95 . 1 1 23 23 GLU CB C 13 32.489 0.2 . 1 . . . . 24 E CB . 16838 1 96 . 1 1 23 23 GLU N N 15 121.057 0.2 . 1 . . . . 24 E N . 16838 1 97 . 1 1 24 24 TRP H H 1 7.422 0.050 . 1 . . . . 25 W HN . 16838 1 98 . 1 1 24 24 TRP C C 13 171.917 0.2 . 1 . . . . 25 W CO . 16838 1 99 . 1 1 24 24 TRP CA C 13 56.576 0.2 . 1 . . . . 25 W CA . 16838 1 100 . 1 1 24 24 TRP CB C 13 29.982 0.2 . 1 . . . . 25 W CB . 16838 1 101 . 1 1 24 24 TRP N N 15 116.93 0.2 . 1 . . . . 25 W N . 16838 1 102 . 1 1 25 25 GLU H H 1 8.135 0.050 . 1 . . . . 26 E HN . 16838 1 103 . 1 1 25 25 GLU C C 13 172.155 0.2 . 1 . . . . 26 E CO . 16838 1 104 . 1 1 25 25 GLU CA C 13 53.165 0.2 . 1 . . . . 26 E CA . 16838 1 105 . 1 1 25 25 GLU CB C 13 31.444 0.2 . 1 . . . . 26 E CB . 16838 1 106 . 1 1 25 25 GLU N N 15 117.286 0.2 . 1 . . . . 26 E N . 16838 1 107 . 1 1 26 26 PRO C C 13 175.401 0.2 . 1 . . . . 27 P CO . 16838 1 108 . 1 1 26 26 PRO CA C 13 63.453 0.2 . 1 . . . . 27 P CA . 16838 1 109 . 1 1 27 27 LYS H H 1 8.072 0.050 . 1 . . . . 28 K HN . 16838 1 110 . 1 1 27 27 LYS C C 13 177.074 0.2 . 1 . . . . 28 K CO . 16838 1 111 . 1 1 27 27 LYS N N 15 128.108 0.2 . 1 . . . . 28 K N . 16838 1 112 . 1 1 28 28 PRO C C 13 177.552 0.2 . 1 . . . . 29 P CO . 16838 1 113 . 1 1 28 28 PRO CA C 13 63.237 0.2 . 1 . . . . 29 P CA . 16838 1 114 . 1 1 28 28 PRO CB C 13 30.568 0.2 . 1 . . . . 29 P CB . 16838 1 115 . 1 1 29 29 VAL H H 1 8.533 0.050 . 1 . . . . 30 V HN . 16838 1 116 . 1 1 29 29 VAL C C 13 176.635 0.2 . 1 . . . . 30 V CO . 16838 1 117 . 1 1 29 29 VAL CA C 13 62.329 0.2 . 1 . . . . 30 V CA . 16838 1 118 . 1 1 29 29 VAL CB C 13 31.956 0.2 . 1 . . . . 30 V CB . 16838 1 119 . 1 1 29 29 VAL N N 15 126.57 0.2 . 1 . . . . 30 V N . 16838 1 120 . 1 1 30 30 ASN H H 1 8.085 0.050 . 1 . . . . 31 N HN . 16838 1 121 . 1 1 30 30 ASN C C 13 175.256 0.2 . 1 . . . . 31 N CO . 16838 1 122 . 1 1 30 30 ASN CA C 13 53.94 0.2 . 1 . . . . 31 N CA . 16838 1 123 . 1 1 30 30 ASN CB C 13 42.433 0.2 . 1 . . . . 31 N CB . 16838 1 124 . 1 1 30 30 ASN N N 15 122.065 0.2 . 1 . . . . 31 N N . 16838 1 125 . 1 1 31 31 GLN H H 1 9.184 0.050 . 1 . . . . 32 Q HN . 16838 1 126 . 1 1 31 31 GLN C C 13 174.385 0.2 . 1 . . . . 32 Q CO . 16838 1 127 . 1 1 31 31 GLN CA C 13 57.68 0.2 . 1 . . . . 32 Q CA . 16838 1 128 . 1 1 31 31 GLN N N 15 123.36 0.2 . 1 . . . . 32 Q N . 16838 1 129 . 1 1 32 32 VAL H H 1 8.25 0.050 . 1 . . . . 33 V HN . 16838 1 130 . 1 1 32 32 VAL C C 13 174.251 0.2 . 1 . . . . 33 V CO . 16838 1 131 . 1 1 32 32 VAL CA C 13 57.877 0.2 . 1 . . . . 33 V CA . 16838 1 132 . 1 1 32 32 VAL CB C 13 34.815 0.2 . 1 . . . . 33 V CB . 16838 1 133 . 1 1 32 32 VAL N N 15 125.937 0.2 . 1 . . . . 33 V N . 16838 1 134 . 1 1 33 33 TYR H H 1 8.359 0.050 . 1 . . . . 34 Y HN . 16838 1 135 . 1 1 33 33 TYR C C 13 175.63 0.2 . 1 . . . . 34 Y CO . 16838 1 136 . 1 1 33 33 TYR CA C 13 57.277 0.2 . 1 . . . . 34 Y CA . 16838 1 137 . 1 1 33 33 TYR CB C 13 41.259 0.2 . 1 . . . . 34 Y CB . 16838 1 138 . 1 1 33 33 TYR N N 15 116.988 0.2 . 1 . . . . 34 Y N . 16838 1 139 . 1 1 34 34 THR H H 1 9.549 0.050 . 1 . . . . 35 T HN . 16838 1 140 . 1 1 34 34 THR C C 13 172.133 0.2 . 1 . . . . 35 T CO . 16838 1 141 . 1 1 34 34 THR CA C 13 60.712 0.2 . 1 . . . . 35 T CA . 16838 1 142 . 1 1 34 34 THR N N 15 117.365 0.2 . 1 . . . . 35 T N . 16838 1 143 . 1 1 35 35 VAL H H 1 8.731 0.050 . 1 . . . . 36 V HN . 16838 1 144 . 1 1 35 35 VAL C C 13 175.09 0.2 . 1 . . . . 36 V CO . 16838 1 145 . 1 1 35 35 VAL CA C 13 60.437 0.2 . 1 . . . . 36 V CA . 16838 1 146 . 1 1 35 35 VAL CB C 13 33.566 0.2 . 1 . . . . 36 V CB . 16838 1 147 . 1 1 35 35 VAL N N 15 126.286 0.2 . 1 . . . . 36 V N . 16838 1 148 . 1 1 36 36 GLN H H 1 8.593 0.050 . 1 . . . . 37 Q HN . 16838 1 149 . 1 1 36 36 GLN C C 13 174.939 0.2 . 1 . . . . 37 Q CO . 16838 1 150 . 1 1 36 36 GLN CA C 13 55.116 0.2 . 1 . . . . 37 Q CA . 16838 1 151 . 1 1 36 36 GLN N N 15 122.268 0.2 . 1 . . . . 37 Q N . 16838 1 152 . 1 1 37 37 ILE H H 1 9.061 0.050 . 1 . . . . 38 I HN . 16838 1 153 . 1 1 37 37 ILE C C 13 172.124 0.2 . 1 . . . . 38 I CO . 16838 1 154 . 1 1 37 37 ILE CA C 13 58.091 0.2 . 1 . . . . 38 I CA . 16838 1 155 . 1 1 37 37 ILE N N 15 112.262 0.2 . 1 . . . . 38 I N . 16838 1 156 . 1 1 38 38 SER H H 1 9.15 0.050 . 1 . . . . 39 S HN . 16838 1 157 . 1 1 38 38 SER C C 13 173.861 0.2 . 1 . . . . 39 S CO . 16838 1 158 . 1 1 38 38 SER CA C 13 56.848 0.2 . 1 . . . . 39 S CA . 16838 1 159 . 1 1 38 38 SER CB C 13 65.453 0.2 . 1 . . . . 39 S CB . 16838 1 160 . 1 1 38 38 SER N N 15 120.977 0.2 . 1 . . . . 39 S N . 16838 1 161 . 1 1 39 39 THR H H 1 8 0.050 . 1 . . . . 40 T HN . 16838 1 162 . 1 1 39 39 THR C C 13 176.455 0.2 . 1 . . . . 40 T CO . 16838 1 163 . 1 1 39 39 THR CA C 13 60.245 0.2 . 1 . . . . 40 T CA . 16838 1 164 . 1 1 39 39 THR CB C 13 69.96 0.2 . 1 . . . . 40 T CB . 16838 1 165 . 1 1 39 39 THR N N 15 109.949 0.2 . 1 . . . . 40 T N . 16838 1 166 . 1 1 40 40 LYS H H 1 8.149 0.050 . 1 . . . . 41 K HN . 16838 1 167 . 1 1 40 40 LYS C C 13 177.148 0.2 . 1 . . . . 41 K CO . 16838 1 168 . 1 1 40 40 LYS CA C 13 58.603 0.2 . 1 . . . . 41 K CA . 16838 1 169 . 1 1 40 40 LYS CB C 13 30.631 0.2 . 1 . . . . 41 K CB . 16838 1 170 . 1 1 40 40 LYS N N 15 119.657 0.2 . 1 . . . . 41 K N . 16838 1 171 . 1 1 41 41 SER H H 1 7.961 0.050 . 1 . . . . 42 S HN . 16838 1 172 . 1 1 41 41 SER C C 13 174.533 0.2 . 1 . . . . 42 S CO . 16838 1 173 . 1 1 41 41 SER CA C 13 58.32 0.2 . 1 . . . . 42 S CA . 16838 1 174 . 1 1 41 41 SER N N 15 112.962 0.2 . 1 . . . . 42 S N . 16838 1 175 . 1 1 42 42 GLY H H 1 7.772 0.050 . 1 . . . . 43 G HN . 16838 1 176 . 1 1 42 42 GLY C C 13 173.104 0.2 . 1 . . . . 43 G CO . 16838 1 177 . 1 1 42 42 GLY CA C 13 44.193 0.2 . 1 . . . . 43 G CA . 16838 1 178 . 1 1 42 42 GLY N N 15 110.657 0.2 . 1 . . . . 43 G N . 16838 1 179 . 1 1 43 43 ASP H H 1 8.055 0.050 . 1 . . . . 44 D HN . 16838 1 180 . 1 1 43 43 ASP C C 13 175.585 0.2 . 1 . . . . 44 D CO . 16838 1 181 . 1 1 43 43 ASP CA C 13 52.624 0.2 . 1 . . . . 44 D CA . 16838 1 182 . 1 1 43 43 ASP CB C 13 41.084 0.2 . 1 . . . . 44 D CB . 16838 1 183 . 1 1 43 43 ASP N N 15 118.841 0.2 . 1 . . . . 44 D N . 16838 1 184 . 1 1 44 44 TRP H H 1 8.064 0.050 . 1 . . . . 45 W HN . 16838 1 185 . 1 1 44 44 TRP C C 13 176.853 0.2 . 1 . . . . 45 W CO . 16838 1 186 . 1 1 44 44 TRP CA C 13 57.098 0.2 . 1 . . . . 45 W CA . 16838 1 187 . 1 1 44 44 TRP CB C 13 30.494 0.2 . 1 . . . . 45 W CB . 16838 1 188 . 1 1 44 44 TRP N N 15 120.604 0.2 . 1 . . . . 45 W N . 16838 1 189 . 1 1 45 45 LYS H H 1 9.226 0.050 . 1 . . . . 46 K HN . 16838 1 190 . 1 1 45 45 LYS C C 13 176.772 0.2 . 1 . . . . 46 K CO . 16838 1 191 . 1 1 45 45 LYS CA C 13 54.326 0.2 . 1 . . . . 46 K CA . 16838 1 192 . 1 1 45 45 LYS CB C 13 34.269 0.2 . 1 . . . . 46 K CB . 16838 1 193 . 1 1 45 45 LYS N N 15 123.09 0.2 . 1 . . . . 46 K N . 16838 1 194 . 1 1 46 46 SER H H 1 8.931 0.050 . 1 . . . . 47 S HN . 16838 1 195 . 1 1 46 46 SER C C 13 175.49 0.2 . 1 . . . . 47 S CO . 16838 1 196 . 1 1 46 46 SER CA C 13 61.448 0.2 . 1 . . . . 47 S CA . 16838 1 197 . 1 1 46 46 SER CB C 13 66.256 0.2 . 1 . . . . 47 S CB . 16838 1 198 . 1 1 46 46 SER N N 15 120.313 0.2 . 1 . . . . 47 S N . 16838 1 199 . 1 1 47 47 LYS H H 1 8.562 0.050 . 1 . . . . 48 K HN . 16838 1 200 . 1 1 47 47 LYS C C 13 176.115 0.2 . 1 . . . . 48 K CO . 16838 1 201 . 1 1 47 47 LYS CA C 13 56.803 0.2 . 1 . . . . 48 K CA . 16838 1 202 . 1 1 47 47 LYS N N 15 127.863 0.2 . 1 . . . . 48 K N . 16838 1 203 . 1 1 48 48 CYS H H 1 8.792 0.050 . 1 . . . . 49 C HN . 16838 1 204 . 1 1 48 48 CYS C C 13 176.05 0.2 . 1 . . . . 49 C CO . 16838 1 205 . 1 1 48 48 CYS N N 15 122.286 0.2 . 1 . . . . 49 C N . 16838 1 206 . 1 1 49 49 PHE H H 1 8.723 0.050 . 1 . . . . 50 F HN . 16838 1 207 . 1 1 49 49 PHE N N 15 129.17 0.2 . 1 . . . . 50 F N . 16838 1 208 . 1 1 50 50 TYR H H 1 8.588 0.050 . 1 . . . . 51 Y HN . 16838 1 209 . 1 1 50 50 TYR C C 13 174.363 0.2 . 1 . . . . 51 Y CO . 16838 1 210 . 1 1 50 50 TYR CA C 13 57.684 0.2 . 1 . . . . 51 Y CA . 16838 1 211 . 1 1 50 50 TYR CB C 13 40.563 0.2 . 1 . . . . 51 Y CB . 16838 1 212 . 1 1 50 50 TYR N N 15 121.065 0.2 . 1 . . . . 51 Y N . 16838 1 213 . 1 1 51 51 THR H H 1 9.545 0.050 . 1 . . . . 52 T HN . 16838 1 214 . 1 1 51 51 THR C C 13 174.298 0.2 . 1 . . . . 52 T CO . 16838 1 215 . 1 1 51 51 THR CA C 13 59.83 0.2 . 1 . . . . 52 T CA . 16838 1 216 . 1 1 51 51 THR N N 15 113.811 0.2 . 1 . . . . 52 T N . 16838 1 217 . 1 1 52 52 THR H H 1 8.249 0.050 . 1 . . . . 53 T HN . 16838 1 218 . 1 1 52 52 THR C C 13 174.44 0.2 . 1 . . . . 53 T CO . 16838 1 219 . 1 1 52 52 THR CA C 13 61.328 0.2 . 1 . . . . 53 T CA . 16838 1 220 . 1 1 52 52 THR CB C 13 68.589 0.2 . 1 . . . . 53 T CB . 16838 1 221 . 1 1 52 52 THR N N 15 114.49 0.2 . 1 . . . . 53 T N . 16838 1 222 . 1 1 53 53 ASP H H 1 9.967 0.050 . 1 . . . . 54 D HN . 16838 1 223 . 1 1 53 53 ASP C C 13 174.417 0.2 . 1 . . . . 54 D CO . 16838 1 224 . 1 1 53 53 ASP CA C 13 56.022 0.2 . 1 . . . . 54 D CA . 16838 1 225 . 1 1 53 53 ASP N N 15 128.143 0.2 . 1 . . . . 54 D N . 16838 1 226 . 1 1 54 54 THR H H 1 8.794 0.050 . 1 . . . . 55 T HN . 16838 1 227 . 1 1 54 54 THR C C 13 171.735 0.2 . 1 . . . . 55 T CO . 16838 1 228 . 1 1 54 54 THR CA C 13 58.223 0.2 . 1 . . . . 55 T CA . 16838 1 229 . 1 1 54 54 THR CB C 13 68.365 0.2 . 1 . . . . 55 T CB . 16838 1 230 . 1 1 54 54 THR N N 15 127.739 0.2 . 1 . . . . 55 T N . 16838 1 231 . 1 1 55 55 GLU H H 1 6.144 0.050 . 1 . . . . 56 E HN . 16838 1 232 . 1 1 55 55 GLU C C 13 175.536 0.2 . 1 . . . . 56 E CO . 16838 1 233 . 1 1 55 55 GLU CA C 13 53.207 0.2 . 1 . . . . 56 E CA . 16838 1 234 . 1 1 55 55 GLU CB C 13 32.686 0.2 . 1 . . . . 56 E CB . 16838 1 235 . 1 1 55 55 GLU N N 15 112.541 0.2 . 1 . . . . 56 E N . 16838 1 236 . 1 1 56 56 CYS H H 1 8.903 0.050 . 1 . . . . 57 C HN . 16838 1 237 . 1 1 56 56 CYS C C 13 172.636 0.2 . 1 . . . . 57 C CO . 16838 1 238 . 1 1 56 56 CYS CA C 13 54.167 0.2 . 1 . . . . 57 C CA . 16838 1 239 . 1 1 56 56 CYS CB C 13 43.678 0.2 . 1 . . . . 57 C CB . 16838 1 240 . 1 1 56 56 CYS N N 15 117.178 0.2 . 1 . . . . 57 C N . 16838 1 241 . 1 1 57 57 ASP H H 1 9.168 0.050 . 1 . . . . 58 D HN . 16838 1 242 . 1 1 57 57 ASP C C 13 176.272 0.2 . 1 . . . . 58 D CO . 16838 1 243 . 1 1 57 57 ASP CA C 13 54.903 0.2 . 1 . . . . 58 D CA . 16838 1 244 . 1 1 57 57 ASP CB C 13 39.727 0.2 . 1 . . . . 58 D CB . 16838 1 245 . 1 1 57 57 ASP N N 15 130.279 0.2 . 1 . . . . 58 D N . 16838 1 246 . 1 1 58 58 LEU H H 1 8.632 0.050 . 1 . . . . 59 L HN . 16838 1 247 . 1 1 58 58 LEU N N 15 122.407 0.2 . 1 . . . . 59 L N . 16838 1 248 . 1 1 59 59 THR H H 1 7.393 0.050 . 1 . . . . 60 T HN . 16838 1 249 . 1 1 59 59 THR C C 13 174.387 0.2 . 1 . . . . 60 T CO . 16838 1 250 . 1 1 59 59 THR CA C 13 68.288 0.2 . 1 . . . . 60 T CA . 16838 1 251 . 1 1 59 59 THR N N 15 121.524 0.2 . 1 . . . . 60 T N . 16838 1 252 . 1 1 60 60 ASP H H 1 8.712 0.050 . 1 . . . . 61 D HN . 16838 1 253 . 1 1 60 60 ASP C C 13 177.143 0.2 . 1 . . . . 61 D CO . 16838 1 254 . 1 1 60 60 ASP CA C 13 56.503 0.2 . 1 . . . . 61 D CA . 16838 1 255 . 1 1 60 60 ASP CB C 13 39.305 0.2 . 1 . . . . 61 D CB . 16838 1 256 . 1 1 60 60 ASP N N 15 115.418 0.2 . 1 . . . . 61 D N . 16838 1 257 . 1 1 61 61 GLU H H 1 7.426 0.050 . 1 . . . . 62 E HN . 16838 1 258 . 1 1 61 61 GLU C C 13 178.012 0.2 . 1 . . . . 62 E CO . 16838 1 259 . 1 1 61 61 GLU CA C 13 56.822 0.2 . 1 . . . . 62 E CA . 16838 1 260 . 1 1 61 61 GLU N N 15 115.512 0.2 . 1 . . . . 62 E N . 16838 1 261 . 1 1 62 62 ILE H H 1 8.07 0.050 . 1 . . . . 63 I HN . 16838 1 262 . 1 1 62 62 ILE C C 13 178.232 0.2 . 1 . . . . 63 I CO . 16838 1 263 . 1 1 62 62 ILE N N 15 107.748 0.2 . 1 . . . . 63 I N . 16838 1 264 . 1 1 63 63 VAL H H 1 8.139 0.050 . 1 . . . . 64 V HN . 16838 1 265 . 1 1 63 63 VAL C C 13 177.823 0.2 . 1 . . . . 64 V CO . 16838 1 266 . 1 1 63 63 VAL CA C 13 62.727 0.2 . 1 . . . . 64 V CA . 16838 1 267 . 1 1 63 63 VAL N N 15 107.144 0.2 . 1 . . . . 64 V N . 16838 1 268 . 1 1 64 64 LYS H H 1 7.387 0.050 . 1 . . . . 65 K HN . 16838 1 269 . 1 1 64 64 LYS C C 13 178.334 0.2 . 1 . . . . 65 K CO . 16838 1 270 . 1 1 64 64 LYS CA C 13 58.801 0.2 . 1 . . . . 65 K CA . 16838 1 271 . 1 1 64 64 LYS N N 15 121.944 0.2 . 1 . . . . 65 K N . 16838 1 272 . 1 1 65 65 ASP H H 1 6.783 0.050 . 1 . . . . 66 D HN . 16838 1 273 . 1 1 65 65 ASP C C 13 178.584 0.2 . 1 . . . . 66 D CO . 16838 1 274 . 1 1 65 65 ASP CA C 13 54.392 0.2 . 1 . . . . 66 D CA . 16838 1 275 . 1 1 65 65 ASP CB C 13 40.071 0.2 . 1 . . . . 66 D CB . 16838 1 276 . 1 1 65 65 ASP N N 15 110.522 0.2 . 1 . . . . 66 D N . 16838 1 277 . 1 1 66 66 VAL C C 13 175.355 0.2 . 1 . . . . 67 V CO . 16838 1 278 . 1 1 66 66 VAL CA C 13 63.133 0.2 . 1 . . . . 67 V CA . 16838 1 279 . 1 1 67 67 LYS H H 1 8.214 0.050 . 1 . . . . 68 K HN . 16838 1 280 . 1 1 67 67 LYS C C 13 176.635 0.2 . 1 . . . . 68 K CO . 16838 1 281 . 1 1 67 67 LYS CA C 13 56.18 0.2 . 1 . . . . 68 K CA . 16838 1 282 . 1 1 67 67 LYS CB C 13 31.266 0.2 . 1 . . . . 68 K CB . 16838 1 283 . 1 1 67 67 LYS N N 15 118.319 0.2 . 1 . . . . 68 K N . 16838 1 284 . 1 1 68 68 GLN H H 1 6.803 0.050 . 1 . . . . 69 Q HN . 16838 1 285 . 1 1 68 68 GLN C C 13 172.125 0.2 . 1 . . . . 69 Q CO . 16838 1 286 . 1 1 68 68 GLN CA C 13 54.601 0.2 . 1 . . . . 69 Q CA . 16838 1 287 . 1 1 68 68 GLN CB C 13 28.832 0.2 . 1 . . . . 69 Q CB . 16838 1 288 . 1 1 68 68 GLN N N 15 119.566 0.2 . 1 . . . . 69 Q N . 16838 1 289 . 1 1 69 69 THR H H 1 7.847 0.050 . 1 . . . . 70 T HN . 16838 1 290 . 1 1 69 69 THR C C 13 173.376 0.2 . 1 . . . . 70 T CO . 16838 1 291 . 1 1 69 69 THR CA C 13 61.836 0.2 . 1 . . . . 70 T CA . 16838 1 292 . 1 1 69 69 THR CB C 13 69.528 0.2 . 1 . . . . 70 T CB . 16838 1 293 . 1 1 69 69 THR N N 15 114.95 0.2 . 1 . . . . 70 T N . 16838 1 294 . 1 1 70 70 TYR H H 1 9.065 0.050 . 1 . . . . 71 Y HN . 16838 1 295 . 1 1 70 70 TYR C C 13 174.056 0.2 . 1 . . . . 71 Y CO . 16838 1 296 . 1 1 70 70 TYR CA C 13 57.193 0.2 . 1 . . . . 71 Y CA . 16838 1 297 . 1 1 70 70 TYR N N 15 126.68 0.2 . 1 . . . . 71 Y N . 16838 1 298 . 1 1 71 71 LEU H H 1 8.774 0.050 . 1 . . . . 72 L HN . 16838 1 299 . 1 1 71 71 LEU C C 13 174.058 0.2 . 1 . . . . 72 L CO . 16838 1 300 . 1 1 71 71 LEU CA C 13 54.213 0.2 . 1 . . . . 72 L CA . 16838 1 301 . 1 1 71 71 LEU CB C 13 45.256 0.2 . 1 . . . . 72 L CB . 16838 1 302 . 1 1 71 71 LEU N N 15 119.514 0.2 . 1 . . . . 72 L N . 16838 1 303 . 1 1 72 72 ALA H H 1 8.776 0.050 . 1 . . . . 73 A HN . 16838 1 304 . 1 1 72 72 ALA C C 13 174.603 0.2 . 1 . . . . 73 A CO . 16838 1 305 . 1 1 72 72 ALA CA C 13 49.817 0.2 . 1 . . . . 73 A CA . 16838 1 306 . 1 1 72 72 ALA N N 15 122.18 0.2 . 1 . . . . 73 A N . 16838 1 307 . 1 1 73 73 ARG H H 1 8.933 0.050 . 1 . . . . 74 R HN . 16838 1 308 . 1 1 73 73 ARG C C 13 174.694 0.2 . 1 . . . . 74 R CO . 16838 1 309 . 1 1 73 73 ARG CA C 13 54.253 0.2 . 1 . . . . 74 R CA . 16838 1 310 . 1 1 73 73 ARG N N 15 125.787 0.2 . 1 . . . . 74 R N . 16838 1 311 . 1 1 74 74 VAL H H 1 8.111 0.050 . 1 . . . . 75 V HN . 16838 1 312 . 1 1 74 74 VAL C C 13 174.261 0.2 . 1 . . . . 75 V CO . 16838 1 313 . 1 1 74 74 VAL CA C 13 58.665 0.2 . 1 . . . . 75 V CA . 16838 1 314 . 1 1 74 74 VAL N N 15 115.584 0.2 . 1 . . . . 75 V N . 16838 1 315 . 1 1 75 75 PHE H H 1 9.262 0.050 . 1 . . . . 76 F HN . 16838 1 316 . 1 1 75 75 PHE C C 13 176.748 0.2 . 1 . . . . 76 F CO . 16838 1 317 . 1 1 75 75 PHE CA C 13 56.082 0.2 . 1 . . . . 76 F CA . 16838 1 318 . 1 1 75 75 PHE CB C 13 41.678 0.2 . 1 . . . . 76 F CB . 16838 1 319 . 1 1 75 75 PHE N N 15 117.21 0.2 . 1 . . . . 76 F N . 16838 1 320 . 1 1 78 78 PRO C C 13 176.044 0.2 . 1 . . . . 79 P CO . 16838 1 321 . 1 1 78 78 PRO CA C 13 62.361 0.2 . 1 . . . . 79 P CA . 16838 1 322 . 1 1 79 79 ALA H H 1 7.627 0.050 . 1 . . . . 80 A HN . 16838 1 323 . 1 1 79 79 ALA C C 13 177.73 0.2 . 1 . . . . 80 A CO . 16838 1 324 . 1 1 79 79 ALA CA C 13 51.675 0.2 . 1 . . . . 80 A CA . 16838 1 325 . 1 1 79 79 ALA CB C 13 18.835 0.2 . 1 . . . . 80 A CB . 16838 1 326 . 1 1 79 79 ALA N N 15 123.038 0.2 . 1 . . . . 80 A N . 16838 1 327 . 1 1 80 80 GLY H H 1 8.311 0.050 . 1 . . . . 81 G HN . 16838 1 328 . 1 1 80 80 GLY C C 13 174.307 0.2 . 1 . . . . 81 G CO . 16838 1 329 . 1 1 80 80 GLY CA C 13 44.895 0.2 . 1 . . . . 81 G CA . 16838 1 330 . 1 1 80 80 GLY N N 15 107.147 0.2 . 1 . . . . 81 G N . 16838 1 331 . 1 1 81 81 ASN H H 1 8.155 0.050 . 1 . . . . 82 N HN . 16838 1 332 . 1 1 81 81 ASN C C 13 175.138 0.2 . 1 . . . . 82 N CO . 16838 1 333 . 1 1 81 81 ASN CA C 13 52.922 0.2 . 1 . . . . 82 N CA . 16838 1 334 . 1 1 81 81 ASN CB C 13 38.123 0.2 . 1 . . . . 82 N CB . 16838 1 335 . 1 1 81 81 ASN N N 15 118.831 0.2 . 1 . . . . 82 N N . 16838 1 336 . 1 1 82 82 VAL H H 1 7.907 0.050 . 1 . . . . 83 V HN . 16838 1 337 . 1 1 82 82 VAL C C 13 176.239 0.2 . 1 . . . . 83 V CO . 16838 1 338 . 1 1 82 82 VAL CA C 13 62.086 0.2 . 1 . . . . 83 V CA . 16838 1 339 . 1 1 82 82 VAL CB C 13 31.775 0.2 . 1 . . . . 83 V CB . 16838 1 340 . 1 1 82 82 VAL N N 15 119.112 0.2 . 1 . . . . 83 V N . 16838 1 341 . 1 1 83 83 GLU H H 1 8.348 0.050 . 1 . . . . 84 E HN . 16838 1 342 . 1 1 83 83 GLU C C 13 176.732 0.2 . 1 . . . . 84 E CO . 16838 1 343 . 1 1 83 83 GLU CA C 13 56.499 0.2 . 1 . . . . 84 E CA . 16838 1 344 . 1 1 83 83 GLU CB C 13 29.172 0.2 . 1 . . . . 84 E CB . 16838 1 345 . 1 1 83 83 GLU N N 15 122.586 0.2 . 1 . . . . 84 E N . 16838 1 346 . 1 1 84 84 SER H H 1 8.196 0.050 . 1 . . . . 85 S HN . 16838 1 347 . 1 1 84 84 SER C C 13 174.993 0.2 . 1 . . . . 85 S CO . 16838 1 348 . 1 1 84 84 SER CA C 13 58.096 0.2 . 1 . . . . 85 S CA . 16838 1 349 . 1 1 84 84 SER CB C 13 63.038 0.2 . 1 . . . . 85 S CB . 16838 1 350 . 1 1 84 84 SER N N 15 115.871 0.2 . 1 . . . . 85 S N . 16838 1 351 . 1 1 85 85 THR H H 1 8.093 0.050 . 1 . . . . 86 T HN . 16838 1 352 . 1 1 85 85 THR C C 13 174.623 0.2 . 1 . . . . 86 T CO . 16838 1 353 . 1 1 85 85 THR CA C 13 61.607 0.2 . 1 . . . . 86 T CA . 16838 1 354 . 1 1 85 85 THR CB C 13 69.195 0.2 . 1 . . . . 86 T CB . 16838 1 355 . 1 1 85 85 THR N N 15 114.72 0.2 . 1 . . . . 86 T N . 16838 1 356 . 1 1 86 86 GLY H H 1 8.309 0.050 . 1 . . . . 87 G HN . 16838 1 357 . 1 1 86 86 GLY C C 13 175.179 0.2 . 1 . . . . 87 G CO . 16838 1 358 . 1 1 86 86 GLY CA C 13 45.178 0.2 . 1 . . . . 87 G CA . 16838 1 359 . 1 1 86 86 GLY N N 15 110.69 0.2 . 1 . . . . 87 G N . 16838 1 360 . 1 1 87 87 SER H H 1 8.137 0.050 . 1 . . . . 88 S HN . 16838 1 361 . 1 1 87 87 SER CA C 13 57.846 0.2 . 1 . . . . 88 S CA . 16838 1 362 . 1 1 87 87 SER N N 15 115.715 0.2 . 1 . . . . 88 S N . 16838 1 363 . 1 1 88 88 ALA H H 1 8.307 0.050 . 1 . . . . 89 A HN . 16838 1 364 . 1 1 88 88 ALA C C 13 177.983 0.2 . 1 . . . . 89 A CO . 16838 1 365 . 1 1 88 88 ALA CA C 13 52.181 0.2 . 1 . . . . 89 A CA . 16838 1 366 . 1 1 88 88 ALA N N 15 125.664 0.2 . 1 . . . . 89 A N . 16838 1 367 . 1 1 89 89 GLY H H 1 8.13 0.050 . 1 . . . . 90 G HN . 16838 1 368 . 1 1 89 89 GLY C C 13 173.918 0.2 . 1 . . . . 90 G CO . 16838 1 369 . 1 1 89 89 GLY CA C 13 44.414 0.2 . 1 . . . . 90 G CA . 16838 1 370 . 1 1 89 89 GLY N N 15 107.411 0.2 . 1 . . . . 90 G N . 16838 1 371 . 1 1 90 90 GLU H H 1 8.231 0.050 . 1 . . . . 91 E HN . 16838 1 372 . 1 1 90 90 GLU C C 13 174.454 0.2 . 1 . . . . 91 E CO . 16838 1 373 . 1 1 90 90 GLU CA C 13 53.912 0.2 . 1 . . . . 91 E CA . 16838 1 374 . 1 1 90 90 GLU CB C 13 28.969 0.2 . 1 . . . . 91 E CB . 16838 1 375 . 1 1 90 90 GLU N N 15 121.715 0.2 . 1 . . . . 91 E N . 16838 1 376 . 1 1 91 91 PRO C C 13 177.051 0.2 . 1 . . . . 92 P CO . 16838 1 377 . 1 1 91 91 PRO CA C 13 62.242 0.2 . 1 . . . . 92 P CA . 16838 1 378 . 1 1 91 91 PRO CB C 13 31.796 0.2 . 1 . . . . 92 P CB . 16838 1 379 . 1 1 92 92 LEU H H 1 8.396 0.050 . 1 . . . . 93 L HN . 16838 1 380 . 1 1 92 92 LEU C C 13 175.307 0.2 . 1 . . . . 93 L CO . 16838 1 381 . 1 1 92 92 LEU CA C 13 53.869 0.2 . 1 . . . . 93 L CA . 16838 1 382 . 1 1 92 92 LEU N N 15 126.346 0.2 . 1 . . . . 93 L N . 16838 1 383 . 1 1 93 93 TYR H H 1 7.584 0.050 . 1 . . . . 94 Y HN . 16838 1 384 . 1 1 93 93 TYR C C 13 173.167 0.2 . 1 . . . . 94 Y CO . 16838 1 385 . 1 1 93 93 TYR CA C 13 55.099 0.2 . 1 . . . . 94 Y CA . 16838 1 386 . 1 1 93 93 TYR CB C 13 39.859 0.2 . 1 . . . . 94 Y CB . 16838 1 387 . 1 1 93 93 TYR N N 15 115.353 0.2 . 1 . . . . 94 Y N . 16838 1 388 . 1 1 94 94 GLU H H 1 7.63 0.050 . 1 . . . . 95 E HN . 16838 1 389 . 1 1 94 94 GLU C C 13 174.424 0.2 . 1 . . . . 95 E CO . 16838 1 390 . 1 1 94 94 GLU CA C 13 53.242 0.2 . 1 . . . . 95 E CA . 16838 1 391 . 1 1 94 94 GLU N N 15 118.195 0.2 . 1 . . . . 95 E N . 16838 1 392 . 1 1 95 95 ASN H H 1 9.297 0.050 . 1 . . . . 96 N HN . 16838 1 393 . 1 1 95 95 ASN C C 13 175.541 0.2 . 1 . . . . 96 N CO . 16838 1 394 . 1 1 95 95 ASN CA C 13 52.293 0.2 . 1 . . . . 96 N CA . 16838 1 395 . 1 1 95 95 ASN CB C 13 40.587 0.2 . 1 . . . . 96 N CB . 16838 1 396 . 1 1 95 95 ASN N N 15 123.106 0.2 . 1 . . . . 96 N N . 16838 1 397 . 1 1 96 96 SER H H 1 9.21 0.050 . 1 . . . . 97 S HN . 16838 1 398 . 1 1 96 96 SER C C 13 171.327 0.2 . 1 . . . . 97 S CO . 16838 1 399 . 1 1 96 96 SER CA C 13 57.558 0.2 . 1 . . . . 97 S CA . 16838 1 400 . 1 1 96 96 SER CB C 13 62.891 0.2 . 1 . . . . 97 S CB . 16838 1 401 . 1 1 96 96 SER N N 15 118.316 0.2 . 1 . . . . 97 S N . 16838 1 402 . 1 1 97 97 PRO C C 13 179.328 0.2 . 1 . . . . 98 P CO . 16838 1 403 . 1 1 97 97 PRO CA C 13 62.713 0.2 . 1 . . . . 98 P CA . 16838 1 404 . 1 1 98 98 GLU H H 1 9.103 0.050 . 1 . . . . 99 E HN . 16838 1 405 . 1 1 98 98 GLU C C 13 176.222 0.2 . 1 . . . . 99 E CO . 16838 1 406 . 1 1 98 98 GLU CA C 13 57.172 0.2 . 1 . . . . 99 E CA . 16838 1 407 . 1 1 98 98 GLU CB C 13 29.595 0.2 . 1 . . . . 99 E CB . 16838 1 408 . 1 1 98 98 GLU N N 15 126.667 0.2 . 1 . . . . 99 E N . 16838 1 409 . 1 1 99 99 PHE H H 1 8.683 0.050 . 1 . . . . 100 F HN . 16838 1 410 . 1 1 99 99 PHE N N 15 111.95 0.2 . 1 . . . . 100 F N . 16838 1 411 . 1 1 100 100 THR H H 1 8.184 0.050 . 1 . . . . 101 T HN . 16838 1 412 . 1 1 100 100 THR C C 13 170.587 0.2 . 1 . . . . 101 T CO . 16838 1 413 . 1 1 100 100 THR CA C 13 61.103 0.2 . 1 . . . . 101 T CA . 16838 1 414 . 1 1 100 100 THR CB C 13 71.249 0.2 . 1 . . . . 101 T CB . 16838 1 415 . 1 1 100 100 THR N N 15 115.882 0.2 . 1 . . . . 101 T N . 16838 1 416 . 1 1 101 101 PRO C C 13 177.803 0.2 . 1 . . . . 102 P CO . 16838 1 417 . 1 1 101 101 PRO CA C 13 65.194 0.2 . 1 . . . . 102 P CA . 16838 1 418 . 1 1 102 102 TYR H H 1 8.811 0.050 . 1 . . . . 103 Y HN . 16838 1 419 . 1 1 102 102 TYR C C 13 176.05 0.2 . 1 . . . . 103 Y CO . 16838 1 420 . 1 1 102 102 TYR CA C 13 62.541 0.2 . 1 . . . . 103 Y CA . 16838 1 421 . 1 1 102 102 TYR N N 15 113.495 0.2 . 1 . . . . 103 Y N . 16838 1 422 . 1 1 103 103 LEU H H 1 6.589 0.050 . 1 . . . . 104 L HN . 16838 1 423 . 1 1 103 103 LEU C C 13 176.999 0.2 . 1 . . . . 104 L CO . 16838 1 424 . 1 1 103 103 LEU CA C 13 54.773 0.2 . 1 . . . . 104 L CA . 16838 1 425 . 1 1 103 103 LEU CB C 13 43.544 0.2 . 1 . . . . 104 L CB . 16838 1 426 . 1 1 103 103 LEU N N 15 112.573 0.2 . 1 . . . . 104 L N . 16838 1 427 . 1 1 104 104 GLU H H 1 7.152 0.050 . 1 . . . . 105 E HN . 16838 1 428 . 1 1 104 104 GLU C C 13 177.674 0.2 . 1 . . . . 105 E CO . 16838 1 429 . 1 1 104 104 GLU CA C 13 56.39 0.2 . 1 . . . . 105 E CA . 16838 1 430 . 1 1 104 104 GLU N N 15 111.969 0.2 . 1 . . . . 105 E N . 16838 1 431 . 1 1 105 105 THR H H 1 8.455 0.050 . 1 . . . . 106 T HN . 16838 1 432 . 1 1 105 105 THR C C 13 173.213 0.2 . 1 . . . . 106 T CO . 16838 1 433 . 1 1 105 105 THR CA C 13 64.122 0.2 . 1 . . . . 106 T CA . 16838 1 434 . 1 1 105 105 THR CB C 13 68.289 0.2 . 1 . . . . 106 T CB . 16838 1 435 . 1 1 105 105 THR N N 15 116.27 0.2 . 1 . . . . 106 T N . 16838 1 436 . 1 1 106 106 ASN H H 1 8.707 0.050 . 1 . . . . 107 N HN . 16838 1 437 . 1 1 106 106 ASN C C 13 174.612 0.2 . 1 . . . . 107 N CO . 16838 1 438 . 1 1 106 106 ASN CA C 13 54.325 0.2 . 1 . . . . 107 N CA . 16838 1 439 . 1 1 106 106 ASN CB C 13 37.837 0.2 . 1 . . . . 107 N CB . 16838 1 440 . 1 1 106 106 ASN N N 15 127.265 0.2 . 1 . . . . 107 N N . 16838 1 441 . 1 1 107 107 LEU H H 1 8.77 0.050 . 1 . . . . 108 L HN . 16838 1 442 . 1 1 107 107 LEU C C 13 177.502 0.2 . 1 . . . . 108 L CO . 16838 1 443 . 1 1 107 107 LEU CA C 13 53.313 0.2 . 1 . . . . 108 L CA . 16838 1 444 . 1 1 107 107 LEU CB C 13 41.484 0.2 . 1 . . . . 108 L CB . 16838 1 445 . 1 1 107 107 LEU N N 15 122.828 0.2 . 1 . . . . 108 L N . 16838 1 446 . 1 1 108 108 GLY H H 1 8.658 0.050 . 1 . . . . 109 G HN . 16838 1 447 . 1 1 108 108 GLY C C 13 172.984 0.2 . 1 . . . . 109 G CO . 16838 1 448 . 1 1 108 108 GLY CA C 13 44.122 0.2 . 1 . . . . 109 G CA . 16838 1 449 . 1 1 108 108 GLY N N 15 110.516 0.2 . 1 . . . . 109 G N . 16838 1 450 . 1 1 109 109 GLN H H 1 8.159 0.050 . 1 . . . . 110 Q HN . 16838 1 451 . 1 1 109 109 GLN C C 13 174.3 0.2 . 1 . . . . 110 Q CO . 16838 1 452 . 1 1 109 109 GLN CA C 13 54.182 0.2 . 1 . . . . 110 Q CA . 16838 1 453 . 1 1 109 109 GLN CB C 13 29.46 0.2 . 1 . . . . 110 Q CB . 16838 1 454 . 1 1 109 109 GLN N N 15 121.747 0.2 . 1 . . . . 110 Q N . 16838 1 455 . 1 1 110 110 PRO C C 13 174.421 0.2 . 1 . . . . 111 P CO . 16838 1 456 . 1 1 110 110 PRO CA C 13 62.065 0.2 . 1 . . . . 111 P CA . 16838 1 457 . 1 1 111 111 THR H H 1 8.364 0.050 . 1 . . . . 112 T HN . 16838 1 458 . 1 1 111 111 THR C C 13 173.978 0.2 . 1 . . . . 112 T CO . 16838 1 459 . 1 1 111 111 THR CA C 13 61.449 0.2 . 1 . . . . 112 T CA . 16838 1 460 . 1 1 111 111 THR CB C 13 71.5 0.2 . 1 . . . . 112 T CB . 16838 1 461 . 1 1 111 111 THR N N 15 111.716 0.2 . 1 . . . . 112 T N . 16838 1 462 . 1 1 112 112 ILE H H 1 9.061 0.050 . 1 . . . . 113 I HN . 16838 1 463 . 1 1 112 112 ILE C C 13 174.756 0.2 . 1 . . . . 113 I CO . 16838 1 464 . 1 1 112 112 ILE CA C 13 62.581 0.2 . 1 . . . . 113 I CA . 16838 1 465 . 1 1 112 112 ILE CB C 13 36.996 0.2 . 1 . . . . 113 I CB . 16838 1 466 . 1 1 112 112 ILE N N 15 125.919 0.2 . 1 . . . . 113 I N . 16838 1 467 . 1 1 113 113 GLN H H 1 9.157 0.050 . 1 . . . . 114 Q HN . 16838 1 468 . 1 1 113 113 GLN C C 13 175.532 0.2 . 1 . . . . 114 Q CO . 16838 1 469 . 1 1 113 113 GLN CA C 13 57.338 0.2 . 1 . . . . 114 Q CA . 16838 1 470 . 1 1 113 113 GLN N N 15 131.392 0.2 . 1 . . . . 114 Q N . 16838 1 471 . 1 1 114 114 SER H H 1 7.605 0.050 . 1 . . . . 115 S HN . 16838 1 472 . 1 1 114 114 SER C C 13 171.49 0.2 . 1 . . . . 115 S CO . 16838 1 473 . 1 1 114 114 SER CA C 13 57.1 0.2 . 1 . . . . 115 S CA . 16838 1 474 . 1 1 114 114 SER CB C 13 64.479 0.2 . 1 . . . . 115 S CB . 16838 1 475 . 1 1 114 114 SER N N 15 108.639 0.2 . 1 . . . . 115 S N . 16838 1 476 . 1 1 115 115 PHE H H 1 7.817 0.050 . 1 . . . . 116 F HN . 16838 1 477 . 1 1 115 115 PHE C C 13 174.005 0.2 . 1 . . . . 116 F CO . 16838 1 478 . 1 1 115 115 PHE CA C 13 55.453 0.2 . 1 . . . . 116 F CA . 16838 1 479 . 1 1 115 115 PHE CB C 13 40.729 0.2 . 1 . . . . 116 F CB . 16838 1 480 . 1 1 115 115 PHE N N 15 115.813 0.2 . 1 . . . . 116 F N . 16838 1 481 . 1 1 116 116 GLU H H 1 8.524 0.050 . 1 . . . . 117 E HN . 16838 1 482 . 1 1 116 116 GLU C C 13 174.125 0.2 . 1 . . . . 117 E CO . 16838 1 483 . 1 1 116 116 GLU CA C 13 54.852 0.2 . 1 . . . . 117 E CA . 16838 1 484 . 1 1 116 116 GLU N N 15 119.643 0.2 . 1 . . . . 117 E N . 16838 1 485 . 1 1 117 117 GLN H H 1 9.022 0.050 . 1 . . . . 118 Q HN . 16838 1 486 . 1 1 117 117 GLN C C 13 174.916 0.2 . 1 . . . . 118 Q CO . 16838 1 487 . 1 1 117 117 GLN CA C 13 55.001 0.2 . 1 . . . . 118 Q CA . 16838 1 488 . 1 1 117 117 GLN CB C 13 28.873 0.2 . 1 . . . . 118 Q CB . 16838 1 489 . 1 1 117 117 GLN N N 15 125.982 0.2 . 1 . . . . 118 Q N . 16838 1 490 . 1 1 118 118 VAL H H 1 8.785 0.050 . 1 . . . . 119 V HN . 16838 1 491 . 1 1 118 118 VAL C C 13 176.454 0.2 . 1 . . . . 119 V CO . 16838 1 492 . 1 1 118 118 VAL CA C 13 60.624 0.2 . 1 . . . . 119 V CA . 16838 1 493 . 1 1 118 118 VAL CB C 13 32.106 0.2 . 1 . . . . 119 V CB . 16838 1 494 . 1 1 118 118 VAL N N 15 128.322 0.2 . 1 . . . . 119 V N . 16838 1 495 . 1 1 119 119 GLY H H 1 8.977 0.050 . 1 . . . . 120 G HN . 16838 1 496 . 1 1 119 119 GLY CA C 13 46.782 0.2 . 1 . . . . 120 G CA . 16838 1 497 . 1 1 119 119 GLY N N 15 117.483 0.2 . 1 . . . . 120 G N . 16838 1 498 . 1 1 120 120 THR C C 13 172.87 0.2 . 1 . . . . 121 T CO . 16838 1 499 . 1 1 120 120 THR CA C 13 61.128 0.2 . 1 . . . . 121 T CA . 16838 1 500 . 1 1 121 121 LYS H H 1 7.793 0.050 . 1 . . . . 122 K HN . 16838 1 501 . 1 1 121 121 LYS C C 13 176.003 0.2 . 1 . . . . 122 K CO . 16838 1 502 . 1 1 121 121 LYS CA C 13 53.901 0.2 . 1 . . . . 122 K CA . 16838 1 503 . 1 1 121 121 LYS CB C 13 34.964 0.2 . 1 . . . . 122 K CB . 16838 1 504 . 1 1 121 121 LYS N N 15 119.866 0.2 . 1 . . . . 122 K N . 16838 1 505 . 1 1 122 122 VAL H H 1 8.855 0.050 . 1 . . . . 123 V HN . 16838 1 506 . 1 1 122 122 VAL C C 13 171.705 0.2 . 1 . . . . 123 V CO . 16838 1 507 . 1 1 122 122 VAL CA C 13 60.574 0.2 . 1 . . . . 123 V CA . 16838 1 508 . 1 1 122 122 VAL CB C 13 33.748 0.2 . 1 . . . . 123 V CB . 16838 1 509 . 1 1 122 122 VAL N N 15 120.72 0.2 . 1 . . . . 123 V N . 16838 1 510 . 1 1 123 123 ASN H H 1 9.028 0.050 . 1 . . . . 124 N HN . 16838 1 511 . 1 1 123 123 ASN C C 13 174.829 0.2 . 1 . . . . 124 N CO . 16838 1 512 . 1 1 123 123 ASN CA C 13 53.61 0.2 . 1 . . . . 124 N CA . 16838 1 513 . 1 1 123 123 ASN N N 15 128.481 0.2 . 1 . . . . 124 N N . 16838 1 514 . 1 1 124 124 VAL H H 1 9.48 0.050 . 1 . . . . 125 V HN . 16838 1 515 . 1 1 124 124 VAL C C 13 175.06 0.2 . 1 . . . . 125 V CO . 16838 1 516 . 1 1 124 124 VAL CA C 13 61.23 0.2 . 1 . . . . 125 V CA . 16838 1 517 . 1 1 124 124 VAL N N 15 125.492 0.2 . 1 . . . . 125 V N . 16838 1 518 . 1 1 125 125 THR H H 1 8.786 0.050 . 1 . . . . 126 T HN . 16838 1 519 . 1 1 125 125 THR C C 13 173.666 0.2 . 1 . . . . 126 T CO . 16838 1 520 . 1 1 125 125 THR CA C 13 61.13 0.2 . 1 . . . . 126 T CA . 16838 1 521 . 1 1 125 125 THR CB C 13 70.25 0.2 . 1 . . . . 126 T CB . 16838 1 522 . 1 1 125 125 THR N N 15 121.448 0.2 . 1 . . . . 126 T N . 16838 1 523 . 1 1 126 126 VAL H H 1 9.128 0.050 . 1 . . . . 127 V HN . 16838 1 524 . 1 1 126 126 VAL C C 13 175.438 0.2 . 1 . . . . 127 V CO . 16838 1 525 . 1 1 126 126 VAL CA C 13 61.253 0.2 . 1 . . . . 127 V CA . 16838 1 526 . 1 1 126 126 VAL CB C 13 32.972 0.2 . 1 . . . . 127 V CB . 16838 1 527 . 1 1 126 126 VAL N N 15 127.063 0.2 . 1 . . . . 127 V N . 16838 1 528 . 1 1 127 127 GLU C C 13 176.181 0.2 . 1 . . . . 128 E CO . 16838 1 529 . 1 1 127 127 GLU CA C 13 56.823 0.2 . 1 . . . . 128 E CA . 16838 1 530 . 1 1 128 128 ASP H H 1 8.838 0.050 . 1 . . . . 129 D HN . 16838 1 531 . 1 1 128 128 ASP C C 13 175.167 0.2 . 1 . . . . 129 D CO . 16838 1 532 . 1 1 128 128 ASP CA C 13 52.941 0.2 . 1 . . . . 129 D CA . 16838 1 533 . 1 1 128 128 ASP CB C 13 39.544 0.2 . 1 . . . . 129 D CB . 16838 1 534 . 1 1 128 128 ASP N N 15 127.92 0.2 . 1 . . . . 129 D N . 16838 1 535 . 1 1 129 129 GLU H H 1 7.61 0.050 . 1 . . . . 130 E HN . 16838 1 536 . 1 1 129 129 GLU C C 13 175.159 0.2 . 1 . . . . 130 E CO . 16838 1 537 . 1 1 129 129 GLU CA C 13 55.782 0.2 . 1 . . . . 130 E CA . 16838 1 538 . 1 1 129 129 GLU CB C 13 30.611 0.2 . 1 . . . . 130 E CB . 16838 1 539 . 1 1 129 129 GLU N N 15 124.292 0.2 . 1 . . . . 130 E N . 16838 1 540 . 1 1 130 130 ARG H H 1 8.56 0.050 . 1 . . . . 131 R HN . 16838 1 541 . 1 1 130 130 ARG C C 13 177.069 0.2 . 1 . . . . 131 R CO . 16838 1 542 . 1 1 130 130 ARG CA C 13 55.733 0.2 . 1 . . . . 131 R CA . 16838 1 543 . 1 1 130 130 ARG CB C 13 32.094 0.2 . 1 . . . . 131 R CB . 16838 1 544 . 1 1 130 130 ARG N N 15 120.285 0.2 . 1 . . . . 131 R N . 16838 1 545 . 1 1 131 131 THR H H 1 8.515 0.050 . 1 . . . . 132 T HN . 16838 1 546 . 1 1 131 131 THR C C 13 173.435 0.2 . 1 . . . . 132 T CO . 16838 1 547 . 1 1 131 131 THR CA C 13 60.145 0.2 . 1 . . . . 132 T CA . 16838 1 548 . 1 1 131 131 THR N N 15 115.347 0.2 . 1 . . . . 132 T N . 16838 1 549 . 1 1 132 132 LEU H H 1 8.116 0.050 . 1 . . . . 133 L HN . 16838 1 550 . 1 1 132 132 LEU C C 13 176.871 0.2 . 1 . . . . 133 L CO . 16838 1 551 . 1 1 132 132 LEU CA C 13 53.983 0.2 . 1 . . . . 133 L CA . 16838 1 552 . 1 1 132 132 LEU CB C 13 40.658 0.2 . 1 . . . . 133 L CB . 16838 1 553 . 1 1 132 132 LEU N N 15 116.165 0.2 . 1 . . . . 133 L N . 16838 1 554 . 1 1 133 133 VAL H H 1 8.427 0.050 . 1 . . . . 134 V HN . 16838 1 555 . 1 1 133 133 VAL C C 13 174.202 0.2 . 1 . . . . 134 V CO . 16838 1 556 . 1 1 133 133 VAL CA C 13 63.487 0.2 . 1 . . . . 134 V CA . 16838 1 557 . 1 1 133 133 VAL CB C 13 29.934 0.2 . 1 . . . . 134 V CB . 16838 1 558 . 1 1 133 133 VAL N N 15 120.582 0.2 . 1 . . . . 134 V N . 16838 1 559 . 1 1 134 134 ARG H H 1 7.599 0.050 . 1 . . . . 135 R HN . 16838 1 560 . 1 1 134 134 ARG C C 13 176.431 0.2 . 1 . . . . 135 R CO . 16838 1 561 . 1 1 134 134 ARG CA C 13 54.108 0.2 . 1 . . . . 135 R CA . 16838 1 562 . 1 1 134 134 ARG CB C 13 32.848 0.2 . 1 . . . . 135 R CB . 16838 1 563 . 1 1 134 134 ARG N N 15 126.351 0.2 . 1 . . . . 135 R N . 16838 1 564 . 1 1 135 135 ARG H H 1 8.428 0.050 . 1 . . . . 136 R HN . 16838 1 565 . 1 1 135 135 ARG C C 13 175.693 0.2 . 1 . . . . 136 R CO . 16838 1 566 . 1 1 135 135 ARG CA C 13 55.285 0.2 . 1 . . . . 136 R CA . 16838 1 567 . 1 1 135 135 ARG CB C 13 32.352 0.2 . 1 . . . . 136 R CB . 16838 1 568 . 1 1 135 135 ARG N N 15 123.239 0.2 . 1 . . . . 136 R N . 16838 1 569 . 1 1 137 137 ASN H H 1 8.871 0.050 . 1 . . . . 138 N HN . 16838 1 570 . 1 1 137 137 ASN C C 13 173.766 0.2 . 1 . . . . 138 N CO . 16838 1 571 . 1 1 137 137 ASN CA C 13 53.741 0.2 . 1 . . . . 138 N CA . 16838 1 572 . 1 1 137 137 ASN N N 15 117.036 0.2 . 1 . . . . 138 N N . 16838 1 573 . 1 1 138 138 THR H H 1 7.671 0.050 . 1 . . . . 139 T HN . 16838 1 574 . 1 1 138 138 THR C C 13 172.696 0.2 . 1 . . . . 139 T CO . 16838 1 575 . 1 1 138 138 THR CA C 13 60.547 0.2 . 1 . . . . 139 T CA . 16838 1 576 . 1 1 138 138 THR CB C 13 70.778 0.2 . 1 . . . . 139 T CB . 16838 1 577 . 1 1 138 138 THR N N 15 114.345 0.2 . 1 . . . . 139 T N . 16838 1 578 . 1 1 139 139 PHE H H 1 8.495 0.050 . 1 . . . . 140 F HN . 16838 1 579 . 1 1 139 139 PHE C C 13 176.051 0.2 . 1 . . . . 140 F CO . 16838 1 580 . 1 1 139 139 PHE CA C 13 58.221 0.2 . 1 . . . . 140 F CA . 16838 1 581 . 1 1 139 139 PHE CB C 13 38.738 0.2 . 1 . . . . 140 F CB . 16838 1 582 . 1 1 139 139 PHE N N 15 122.375 0.2 . 1 . . . . 140 F N . 16838 1 583 . 1 1 140 140 LEU H H 1 8.883 0.050 . 1 . . . . 141 L HN . 16838 1 584 . 1 1 140 140 LEU C C 13 178.252 0.2 . 1 . . . . 141 L CO . 16838 1 585 . 1 1 140 140 LEU CA C 13 53.65 0.2 . 1 . . . . 141 L CA . 16838 1 586 . 1 1 140 140 LEU CB C 13 41.734 0.2 . 1 . . . . 141 L CB . 16838 1 587 . 1 1 140 140 LEU N N 15 123.301 0.2 . 1 . . . . 141 L N . 16838 1 588 . 1 1 141 141 SER H H 1 10.033 0.050 . 1 . . . . 142 S HN . 16838 1 589 . 1 1 141 141 SER C C 13 174.76 0.2 . 1 . . . . 142 S CO . 16838 1 590 . 1 1 141 141 SER CA C 13 56.681 0.2 . 1 . . . . 142 S CA . 16838 1 591 . 1 1 141 141 SER CB C 13 64.562 0.2 . 1 . . . . 142 S CB . 16838 1 592 . 1 1 141 141 SER N N 15 122.615 0.2 . 1 . . . . 142 S N . 16838 1 593 . 1 1 142 142 LEU H H 1 8.191 0.050 . 1 . . . . 143 L HN . 16838 1 594 . 1 1 142 142 LEU C C 13 174.889 0.2 . 1 . . . . 143 L CO . 16838 1 595 . 1 1 142 142 LEU CA C 13 56.802 0.2 . 1 . . . . 143 L CA . 16838 1 596 . 1 1 142 142 LEU CB C 13 46.148 0.2 . 1 . . . . 143 L CB . 16838 1 597 . 1 1 142 142 LEU N N 15 116.065 0.2 . 1 . . . . 143 L N . 16838 1 598 . 1 1 143 143 ARG H H 1 8.609 0.050 . 1 . . . . 144 R HN . 16838 1 599 . 1 1 143 143 ARG C C 13 179.707 0.2 . 1 . . . . 144 R CO . 16838 1 600 . 1 1 143 143 ARG CA C 13 58.306 0.2 . 1 . . . . 144 R CA . 16838 1 601 . 1 1 143 143 ARG N N 15 120.988 0.2 . 1 . . . . 144 R N . 16838 1 602 . 1 1 144 144 ASP H H 1 8.105 0.050 . 1 . . . . 145 D HN . 16838 1 603 . 1 1 144 144 ASP C C 13 178.323 0.2 . 1 . . . . 145 D CO . 16838 1 604 . 1 1 144 144 ASP CA C 13 57.01 0.2 . 1 . . . . 145 D CA . 16838 1 605 . 1 1 144 144 ASP CB C 13 40.716 0.2 . 1 . . . . 145 D CB . 16838 1 606 . 1 1 144 144 ASP N N 15 121.225 0.2 . 1 . . . . 145 D N . 16838 1 607 . 1 1 145 145 VAL H H 1 7.914 0.050 . 1 . . . . 146 V HN . 16838 1 608 . 1 1 145 145 VAL C C 13 177.473 0.2 . 1 . . . . 146 V CO . 16838 1 609 . 1 1 145 145 VAL CA C 13 65.517 0.2 . 1 . . . . 146 V CA . 16838 1 610 . 1 1 145 145 VAL CB C 13 31.633 0.2 . 1 . . . . 146 V CB . 16838 1 611 . 1 1 145 145 VAL N N 15 118.163 0.2 . 1 . . . . 146 V N . 16838 1 612 . 1 1 146 146 PHE H H 1 8.399 0.050 . 1 . . . . 147 F HN . 16838 1 613 . 1 1 146 146 PHE C C 13 177.565 0.2 . 1 . . . . 147 F CO . 16838 1 614 . 1 1 146 146 PHE CA C 13 59.752 0.2 . 1 . . . . 147 F CA . 16838 1 615 . 1 1 146 146 PHE N N 15 114.729 0.2 . 1 . . . . 147 F N . 16838 1 616 . 1 1 147 147 GLY H H 1 8.569 0.050 . 1 . . . . 148 G HN . 16838 1 617 . 1 1 147 147 GLY C C 13 176.333 0.2 . 1 . . . . 148 G CO . 16838 1 618 . 1 1 147 147 GLY CA C 13 46.691 0.2 . 1 . . . . 148 G CA . 16838 1 619 . 1 1 147 147 GLY N N 15 110.299 0.2 . 1 . . . . 148 G N . 16838 1 620 . 1 1 148 148 LYS H H 1 8.664 0.050 . 1 . . . . 149 K HN . 16838 1 621 . 1 1 148 148 LYS C C 13 176.869 0.2 . 1 . . . . 149 K CO . 16838 1 622 . 1 1 148 148 LYS CA C 13 56.75 0.2 . 1 . . . . 149 K CA . 16838 1 623 . 1 1 148 148 LYS CB C 13 31.078 0.2 . 1 . . . . 149 K CB . 16838 1 624 . 1 1 148 148 LYS N N 15 123.994 0.2 . 1 . . . . 149 K N . 16838 1 625 . 1 1 149 149 ASP H H 1 8.301 0.050 . 1 . . . . 150 D HN . 16838 1 626 . 1 1 149 149 ASP C C 13 174.976 0.2 . 1 . . . . 150 D CO . 16838 1 627 . 1 1 149 149 ASP CA C 13 55.379 0.2 . 1 . . . . 150 D CA . 16838 1 628 . 1 1 149 149 ASP CB C 13 39.409 0.2 . 1 . . . . 150 D CB . 16838 1 629 . 1 1 149 149 ASP N N 15 118.813 0.2 . 1 . . . . 150 D N . 16838 1 630 . 1 1 150 150 LEU H H 1 6.941 0.050 . 1 . . . . 151 L HN . 16838 1 631 . 1 1 150 150 LEU C C 13 174.858 0.2 . 1 . . . . 151 L CO . 16838 1 632 . 1 1 150 150 LEU CA C 13 53.927 0.2 . 1 . . . . 151 L CA . 16838 1 633 . 1 1 150 150 LEU CB C 13 43.869 0.2 . 1 . . . . 151 L CB . 16838 1 634 . 1 1 150 150 LEU N N 15 118.727 0.2 . 1 . . . . 151 L N . 16838 1 635 . 1 1 151 151 ILE H H 1 7.521 0.050 . 1 . . . . 152 I HN . 16838 1 636 . 1 1 151 151 ILE C C 13 172.594 0.2 . 1 . . . . 152 I CO . 16838 1 637 . 1 1 151 151 ILE CA C 13 57.041 0.2 . 1 . . . . 152 I CA . 16838 1 638 . 1 1 151 151 ILE N N 15 114.454 0.2 . 1 . . . . 152 I N . 16838 1 639 . 1 1 152 152 TYR H H 1 8.603 0.050 . 1 . . . . 153 Y HN . 16838 1 640 . 1 1 152 152 TYR C C 13 177.958 0.2 . 1 . . . . 153 Y CO . 16838 1 641 . 1 1 152 152 TYR CA C 13 55.462 0.2 . 1 . . . . 153 Y CA . 16838 1 642 . 1 1 152 152 TYR N N 15 112.327 0.2 . 1 . . . . 153 Y N . 16838 1 643 . 1 1 153 153 THR H H 1 8.386 0.050 . 1 . . . . 154 T HN . 16838 1 644 . 1 1 153 153 THR N N 15 116.33 0.2 . 1 . . . . 154 T N . 16838 1 645 . 1 1 154 154 LEU C C 13 174.293 0.2 . 1 . . . . 155 L CO . 16838 1 646 . 1 1 154 154 LEU CA C 13 54.424 0.2 . 1 . . . . 155 L CA . 16838 1 647 . 1 1 155 155 TYR H H 1 9.078 0.050 . 1 . . . . 156 Y HN . 16838 1 648 . 1 1 155 155 TYR C C 13 174.246 0.2 . 1 . . . . 156 Y CO . 16838 1 649 . 1 1 155 155 TYR CA C 13 55.615 0.2 . 1 . . . . 156 Y CA . 16838 1 650 . 1 1 155 155 TYR CB C 13 42.114 0.2 . 1 . . . . 156 Y CB . 16838 1 651 . 1 1 155 155 TYR N N 15 119.349 0.2 . 1 . . . . 156 Y N . 16838 1 652 . 1 1 156 156 TYR H H 1 8.398 0.050 . 1 . . . . 157 Y HN . 16838 1 653 . 1 1 156 156 TYR C C 13 176.098 0.2 . 1 . . . . 157 Y CO . 16838 1 654 . 1 1 156 156 TYR CA C 13 54.341 0.2 . 1 . . . . 157 Y CA . 16838 1 655 . 1 1 156 156 TYR CB C 13 42.675 0.2 . 1 . . . . 157 Y CB . 16838 1 656 . 1 1 156 156 TYR N N 15 124.286 0.2 . 1 . . . . 157 Y N . 16838 1 657 . 1 1 157 157 TRP H H 1 8.154 0.050 . 1 . . . . 158 W HN . 16838 1 658 . 1 1 157 157 TRP C C 13 174.451 0.2 . 1 . . . . 158 W CO . 16838 1 659 . 1 1 157 157 TRP CA C 13 58.401 0.2 . 1 . . . . 158 W CA . 16838 1 660 . 1 1 157 157 TRP N N 15 121.902 0.2 . 1 . . . . 158 W N . 16838 1 661 . 1 1 158 158 LYS H H 1 7.448 0.050 . 1 . . . . 159 K HN . 16838 1 662 . 1 1 158 158 LYS C C 13 177.5 0.2 . 1 . . . . 159 K CO . 16838 1 663 . 1 1 158 158 LYS CA C 13 53.555 0.2 . 1 . . . . 159 K CA . 16838 1 664 . 1 1 158 158 LYS N N 15 109.958 0.2 . 1 . . . . 159 K N . 16838 1 665 . 1 1 159 159 SER H H 1 9.01 0.050 . 1 . . . . 160 S HN . 16838 1 666 . 1 1 159 159 SER C C 13 174.66 0.2 . 1 . . . . 160 S CO . 16838 1 667 . 1 1 159 159 SER CA C 13 57.731 0.2 . 1 . . . . 160 S CA . 16838 1 668 . 1 1 159 159 SER CB C 13 66.532 0.2 . 1 . . . . 160 S CB . 16838 1 669 . 1 1 159 159 SER N N 15 118.37 0.2 . 1 . . . . 160 S N . 16838 1 670 . 1 1 160 160 SER H H 1 7.654 0.050 . 1 . . . . 161 S HN . 16838 1 671 . 1 1 160 160 SER C C 13 172.034 0.2 . 1 . . . . 161 S CO . 16838 1 672 . 1 1 160 160 SER CA C 13 57.97 0.2 . 1 . . . . 161 S CA . 16838 1 673 . 1 1 160 160 SER CB C 13 65.549 0.2 . 1 . . . . 161 S CB . 16838 1 674 . 1 1 160 160 SER N N 15 104.899 0.2 . 1 . . . . 161 S N . 16838 1 675 . 1 1 161 161 SER H H 1 8.622 0.050 . 1 . . . . 162 S HN . 16838 1 676 . 1 1 161 161 SER CA C 13 55.125 0.2 . 1 . . . . 162 S CA . 16838 1 677 . 1 1 161 161 SER N N 15 117.871 0.2 . 1 . . . . 162 S N . 16838 1 678 . 1 1 162 162 SER C C 13 174.506 0.2 . 1 . . . . 163 S CO . 16838 1 679 . 1 1 162 162 SER CA C 13 57.648 0.2 . 1 . . . . 163 S CA . 16838 1 680 . 1 1 162 162 SER CB C 13 66.404 0.2 . 1 . . . . 163 S CB . 16838 1 681 . 1 1 163 163 GLY H H 1 8.3 0.050 . 1 . . . . 164 G HN . 16838 1 682 . 1 1 163 163 GLY C C 13 173.987 0.2 . 1 . . . . 164 G CO . 16838 1 683 . 1 1 163 163 GLY CA C 13 45.029 0.2 . 1 . . . . 164 G CA . 16838 1 684 . 1 1 163 163 GLY N N 15 110.675 0.2 . 1 . . . . 164 G N . 16838 1 685 . 1 1 164 164 LYS H H 1 8.198 0.050 . 1 . . . . 165 K HN . 16838 1 686 . 1 1 164 164 LYS C C 13 176.134 0.2 . 1 . . . . 165 K CO . 16838 1 687 . 1 1 164 164 LYS CA C 13 55.903 0.2 . 1 . . . . 165 K CA . 16838 1 688 . 1 1 164 164 LYS N N 15 120.443 0.2 . 1 . . . . 165 K N . 16838 1 689 . 1 1 165 165 LYS H H 1 8.695 0.050 . 1 . . . . 166 K HN . 16838 1 690 . 1 1 165 165 LYS C C 13 174.905 0.2 . 1 . . . . 166 K CO . 16838 1 691 . 1 1 165 165 LYS CA C 13 54.76 0.2 . 1 . . . . 166 K CA . 16838 1 692 . 1 1 165 165 LYS CB C 13 33.272 0.2 . 1 . . . . 166 K CB . 16838 1 693 . 1 1 165 165 LYS N N 15 124.369 0.2 . 1 . . . . 166 K N . 16838 1 694 . 1 1 166 166 THR H H 1 7.913 0.050 . 1 . . . . 167 T HN . 16838 1 695 . 1 1 166 166 THR C C 13 174.766 0.2 . 1 . . . . 167 T CO . 16838 1 696 . 1 1 166 166 THR CA C 13 59.072 0.2 . 1 . . . . 167 T CA . 16838 1 697 . 1 1 166 166 THR CB C 13 72.277 0.2 . 1 . . . . 167 T CB . 16838 1 698 . 1 1 166 166 THR N N 15 108.213 0.2 . 1 . . . . 167 T N . 16838 1 699 . 1 1 167 167 ALA H H 1 9.03 0.050 . 1 . . . . 168 A HN . 16838 1 700 . 1 1 167 167 ALA C C 13 175.037 0.2 . 1 . . . . 168 A CO . 16838 1 701 . 1 1 167 167 ALA CA C 13 50.847 0.2 . 1 . . . . 168 A CA . 16838 1 702 . 1 1 167 167 ALA CB C 13 22.557 0.2 . 1 . . . . 168 A CB . 16838 1 703 . 1 1 167 167 ALA N N 15 125.444 0.2 . 1 . . . . 168 A N . 16838 1 704 . 1 1 168 168 LYS H H 1 8.762 0.050 . 1 . . . . 169 K HN . 16838 1 705 . 1 1 168 168 LYS C C 13 175.913 0.2 . 1 . . . . 169 K CO . 16838 1 706 . 1 1 168 168 LYS CA C 13 55.08 0.2 . 1 . . . . 169 K CA . 16838 1 707 . 1 1 168 168 LYS CB C 13 35.908 0.2 . 1 . . . . 169 K CB . 16838 1 708 . 1 1 168 168 LYS N N 15 118.765 0.2 . 1 . . . . 169 K N . 16838 1 709 . 1 1 169 169 THR H H 1 8.816 0.050 . 1 . . . . 170 T HN . 16838 1 710 . 1 1 169 169 THR C C 13 170.726 0.2 . 1 . . . . 170 T CO . 16838 1 711 . 1 1 169 169 THR CA C 13 58.886 0.2 . 1 . . . . 170 T CA . 16838 1 712 . 1 1 169 169 THR CB C 13 70.14 0.2 . 1 . . . . 170 T CB . 16838 1 713 . 1 1 169 169 THR N N 15 114.774 0.2 . 1 . . . . 170 T N . 16838 1 714 . 1 1 170 170 ASN H H 1 8.388 0.050 . 1 . . . . 171 N HN . 16838 1 715 . 1 1 170 170 ASN C C 13 175.494 0.2 . 1 . . . . 171 N CO . 16838 1 716 . 1 1 170 170 ASN CA C 13 52.428 0.2 . 1 . . . . 171 N CA . 16838 1 717 . 1 1 170 170 ASN N N 15 122.42 0.2 . 1 . . . . 171 N N . 16838 1 718 . 1 1 171 171 THR H H 1 8.545 0.050 . 1 . . . . 172 T HN . 16838 1 719 . 1 1 171 171 THR C C 13 172.165 0.2 . 1 . . . . 172 T CO . 16838 1 720 . 1 1 171 171 THR CA C 13 59.808 0.2 . 1 . . . . 172 T CA . 16838 1 721 . 1 1 171 171 THR CB C 13 68.3 0.2 . 1 . . . . 172 T CB . 16838 1 722 . 1 1 171 171 THR N N 15 113.748 0.2 . 1 . . . . 172 T N . 16838 1 723 . 1 1 172 172 ASN H H 1 8.238 0.050 . 1 . . . . 173 N HN . 16838 1 724 . 1 1 172 172 ASN C C 13 173.287 0.2 . 1 . . . . 173 N CO . 16838 1 725 . 1 1 172 172 ASN CA C 13 51.898 0.2 . 1 . . . . 173 N CA . 16838 1 726 . 1 1 172 172 ASN CB C 13 37.312 0.2 . 1 . . . . 173 N CB . 16838 1 727 . 1 1 172 172 ASN N N 15 117.274 0.2 . 1 . . . . 173 N N . 16838 1 728 . 1 1 173 173 GLU H H 1 7.866 0.050 . 1 . . . . 174 E HN . 16838 1 729 . 1 1 173 173 GLU C C 13 174.099 0.2 . 1 . . . . 174 E CO . 16838 1 730 . 1 1 173 173 GLU CA C 13 54.391 0.2 . 1 . . . . 174 E CA . 16838 1 731 . 1 1 173 173 GLU CB C 13 33.348 0.2 . 1 . . . . 174 E CB . 16838 1 732 . 1 1 173 173 GLU N N 15 116.544 0.2 . 1 . . . . 174 E N . 16838 1 733 . 1 1 174 174 PHE H H 1 7.987 0.050 . 1 . . . . 175 F HN . 16838 1 734 . 1 1 174 174 PHE C C 13 175.336 0.2 . 1 . . . . 175 F CO . 16838 1 735 . 1 1 174 174 PHE N N 15 104.768 0.2 . 1 . . . . 175 F N . 16838 1 736 . 1 1 175 175 LEU C C 13 176.149 0.2 . 1 . . . . 176 L CO . 16838 1 737 . 1 1 175 175 LEU CA C 13 54.062 0.2 . 1 . . . . 176 L CA . 16838 1 738 . 1 1 176 176 ILE H H 1 8.681 0.050 . 1 . . . . 177 I HN . 16838 1 739 . 1 1 176 176 ILE C C 13 174.237 0.2 . 1 . . . . 177 I CO . 16838 1 740 . 1 1 176 176 ILE CA C 13 58.334 0.2 . 1 . . . . 177 I CA . 16838 1 741 . 1 1 176 176 ILE N N 15 120.923 0.2 . 1 . . . . 177 I N . 16838 1 742 . 1 1 177 177 ASP H H 1 8.149 0.050 . 1 . . . . 178 D HN . 16838 1 743 . 1 1 177 177 ASP C C 13 175.686 0.2 . 1 . . . . 178 D CO . 16838 1 744 . 1 1 177 177 ASP CA C 13 54.113 0.2 . 1 . . . . 178 D CA . 16838 1 745 . 1 1 177 177 ASP CB C 13 41.794 0.2 . 1 . . . . 178 D CB . 16838 1 746 . 1 1 177 177 ASP N N 15 121.897 0.2 . 1 . . . . 178 D N . 16838 1 747 . 1 1 178 178 VAL H H 1 8.296 0.050 . 1 . . . . 179 V HN . 16838 1 748 . 1 1 178 178 VAL C C 13 175.031 0.2 . 1 . . . . 179 V CO . 16838 1 749 . 1 1 178 178 VAL CA C 13 59.2 0.2 . 1 . . . . 179 V CA . 16838 1 750 . 1 1 178 178 VAL CB C 13 34.45 0.2 . 1 . . . . 179 V CB . 16838 1 751 . 1 1 178 178 VAL N N 15 115.387 0.2 . 1 . . . . 179 V N . 16838 1 752 . 1 1 179 179 ASP H H 1 8.135 0.050 . 1 . . . . 180 D HN . 16838 1 753 . 1 1 179 179 ASP C C 13 176.508 0.2 . 1 . . . . 180 D CO . 16838 1 754 . 1 1 179 179 ASP CA C 13 53.767 0.2 . 1 . . . . 180 D CA . 16838 1 755 . 1 1 179 179 ASP CB C 13 40.793 0.2 . 1 . . . . 180 D CB . 16838 1 756 . 1 1 179 179 ASP N N 15 121.249 0.2 . 1 . . . . 180 D N . 16838 1 757 . 1 1 180 180 LYS H H 1 8.498 0.050 . 1 . . . . 181 K HN . 16838 1 758 . 1 1 180 180 LYS C C 13 177.639 0.2 . 1 . . . . 181 K CO . 16838 1 759 . 1 1 180 180 LYS CA C 13 57.207 0.2 . 1 . . . . 181 K CA . 16838 1 760 . 1 1 180 180 LYS CB C 13 31.777 0.2 . 1 . . . . 181 K CB . 16838 1 761 . 1 1 180 180 LYS N N 15 122.948 0.2 . 1 . . . . 181 K N . 16838 1 762 . 1 1 181 181 GLY H H 1 8.756 0.050 . 1 . . . . 182 G HN . 16838 1 763 . 1 1 181 181 GLY C C 13 173.758 0.2 . 1 . . . . 182 G CO . 16838 1 764 . 1 1 181 181 GLY CA C 13 45.381 0.2 . 1 . . . . 182 G CA . 16838 1 765 . 1 1 181 181 GLY N N 15 111.838 0.2 . 1 . . . . 182 G N . 16838 1 766 . 1 1 182 182 GLU H H 1 7.344 0.050 . 1 . . . . 183 E HN . 16838 1 767 . 1 1 182 182 GLU C C 13 174.974 0.2 . 1 . . . . 183 E CO . 16838 1 768 . 1 1 182 182 GLU CA C 13 54.583 0.2 . 1 . . . . 183 E CA . 16838 1 769 . 1 1 182 182 GLU CB C 13 31.232 0.2 . 1 . . . . 183 E CB . 16838 1 770 . 1 1 182 182 GLU N N 15 117.893 0.2 . 1 . . . . 183 E N . 16838 1 771 . 1 1 183 183 ASN H H 1 8.651 0.050 . 1 . . . . 184 N HN . 16838 1 772 . 1 1 183 183 ASN C C 13 174.227 0.2 . 1 . . . . 184 N CO . 16838 1 773 . 1 1 183 183 ASN CA C 13 52.587 0.2 . 1 . . . . 184 N CA . 16838 1 774 . 1 1 183 183 ASN CB C 13 39.033 0.2 . 1 . . . . 184 N CB . 16838 1 775 . 1 1 183 183 ASN N N 15 119.993 0.2 . 1 . . . . 184 N N . 16838 1 776 . 1 1 184 184 TYR H H 1 7.892 0.050 . 1 . . . . 185 Y HN . 16838 1 777 . 1 1 184 184 TYR C C 13 174.404 0.2 . 1 . . . . 185 Y CO . 16838 1 778 . 1 1 184 184 TYR CA C 13 56.654 0.2 . 1 . . . . 185 Y CA . 16838 1 779 . 1 1 184 184 TYR CB C 13 41.632 0.2 . 1 . . . . 185 Y CB . 16838 1 780 . 1 1 184 184 TYR N N 15 122.602 0.2 . 1 . . . . 185 Y N . 16838 1 781 . 1 1 185 185 CYS H H 1 9.54 0.050 . 1 . . . . 186 C HN . 16838 1 782 . 1 1 185 185 CYS C C 13 175.941 0.2 . 1 . . . . 186 C CO . 16838 1 783 . 1 1 185 185 CYS CA C 13 55.81 0.2 . 1 . . . . 186 C CA . 16838 1 784 . 1 1 185 185 CYS N N 15 128.746 0.2 . 1 . . . . 186 C N . 16838 1 785 . 1 1 186 186 PHE H H 1 9.296 0.050 . 1 . . . . 187 F HN . 16838 1 786 . 1 1 186 186 PHE C C 13 175.654 0.2 . 1 . . . . 187 F CO . 16838 1 787 . 1 1 186 186 PHE CA C 13 55.97 0.2 . 1 . . . . 187 F CA . 16838 1 788 . 1 1 186 186 PHE N N 15 126.728 0.2 . 1 . . . . 187 F N . 16838 1 789 . 1 1 187 187 SER H H 1 8.381 0.050 . 1 . . . . 188 S HN . 16838 1 790 . 1 1 187 187 SER C C 13 172.178 0.2 . 1 . . . . 188 S CO . 16838 1 791 . 1 1 187 187 SER CA C 13 58.162 0.2 . 1 . . . . 188 S CA . 16838 1 792 . 1 1 187 187 SER CB C 13 64.689 0.2 . 1 . . . . 188 S CB . 16838 1 793 . 1 1 187 187 SER N N 15 114.982 0.2 . 1 . . . . 188 S N . 16838 1 794 . 1 1 188 188 VAL H H 1 8.907 0.050 . 1 . . . . 189 V HN . 16838 1 795 . 1 1 188 188 VAL C C 13 174.512 0.2 . 1 . . . . 189 V CO . 16838 1 796 . 1 1 188 188 VAL CA C 13 58.947 0.2 . 1 . . . . 189 V CA . 16838 1 797 . 1 1 188 188 VAL CB C 13 35.756 0.2 . 1 . . . . 189 V CB . 16838 1 798 . 1 1 188 188 VAL N N 15 119.182 0.2 . 1 . . . . 189 V N . 16838 1 799 . 1 1 189 189 GLN H H 1 9.159 0.050 . 1 . . . . 190 Q HN . 16838 1 800 . 1 1 189 189 GLN C C 13 174.504 0.2 . 1 . . . . 190 Q CO . 16838 1 801 . 1 1 189 189 GLN CA C 13 54.563 0.2 . 1 . . . . 190 Q CA . 16838 1 802 . 1 1 189 189 GLN N N 15 122.87 0.2 . 1 . . . . 190 Q N . 16838 1 803 . 1 1 190 190 ALA H H 1 8.88 0.050 . 1 . . . . 191 A HN . 16838 1 804 . 1 1 190 190 ALA C C 13 175.704 0.2 . 1 . . . . 191 A CO . 16838 1 805 . 1 1 190 190 ALA CA C 13 50.612 0.2 . 1 . . . . 191 A CA . 16838 1 806 . 1 1 190 190 ALA N N 15 128.805 0.2 . 1 . . . . 191 A N . 16838 1 807 . 1 1 191 191 VAL H H 1 8.748 0.050 . 1 . . . . 192 V HN . 16838 1 808 . 1 1 191 191 VAL C C 13 173.99 0.2 . 1 . . . . 192 V CO . 16838 1 809 . 1 1 191 191 VAL CA C 13 59.953 0.2 . 1 . . . . 192 V CA . 16838 1 810 . 1 1 191 191 VAL N N 15 120.448 0.2 . 1 . . . . 192 V N . 16838 1 811 . 1 1 192 192 ILE H H 1 8.475 0.050 . 1 . . . . 193 I HN . 16838 1 812 . 1 1 192 192 ILE C C 13 175.334 0.2 . 1 . . . . 193 I CO . 16838 1 813 . 1 1 192 192 ILE CA C 13 56.811 0.2 . 1 . . . . 193 I CA . 16838 1 814 . 1 1 192 192 ILE N N 15 125.037 0.2 . 1 . . . . 193 I N . 16838 1 815 . 1 1 193 193 PRO C C 13 177.257 0.2 . 1 . . . . 194 P CO . 16838 1 816 . 1 1 193 193 PRO CA C 13 64.206 0.2 . 1 . . . . 194 P CA . 16838 1 817 . 1 1 194 194 SER H H 1 8.255 0.050 . 1 . . . . 195 S HN . 16838 1 818 . 1 1 194 194 SER C C 13 176.221 0.2 . 1 . . . . 195 S CO . 16838 1 819 . 1 1 194 194 SER CA C 13 58.874 0.2 . 1 . . . . 195 S CA . 16838 1 820 . 1 1 194 194 SER CB C 13 62.262 0.2 . 1 . . . . 195 S CB . 16838 1 821 . 1 1 194 194 SER N N 15 109.021 0.2 . 1 . . . . 195 S N . 16838 1 822 . 1 1 195 195 ARG H H 1 7.754 0.050 . 1 . . . . 196 R HN . 16838 1 823 . 1 1 195 195 ARG C C 13 176.779 0.2 . 1 . . . . 196 R CO . 16838 1 824 . 1 1 195 195 ARG CA C 13 57.463 0.2 . 1 . . . . 196 R CA . 16838 1 825 . 1 1 195 195 ARG CB C 13 31.564 0.2 . 1 . . . . 196 R CB . 16838 1 826 . 1 1 195 195 ARG N N 15 122.496 0.2 . 1 . . . . 196 R N . 16838 1 827 . 1 1 196 196 THR H H 1 9.39 0.050 . 1 . . . . 197 T HN . 16838 1 828 . 1 1 196 196 THR C C 13 170.254 0.2 . 1 . . . . 197 T CO . 16838 1 829 . 1 1 196 196 THR CA C 13 63.423 0.2 . 1 . . . . 197 T CA . 16838 1 830 . 1 1 196 196 THR CB C 13 71.67 0.2 . 1 . . . . 197 T CB . 16838 1 831 . 1 1 196 196 THR N N 15 128.062 0.2 . 1 . . . . 197 T N . 16838 1 832 . 1 1 197 197 VAL H H 1 9.236 0.050 . 1 . . . . 198 V HN . 16838 1 833 . 1 1 197 197 VAL C C 13 173.975 0.2 . 1 . . . . 198 V CO . 16838 1 834 . 1 1 197 197 VAL CA C 13 61.245 0.2 . 1 . . . . 198 V CA . 16838 1 835 . 1 1 197 197 VAL N N 15 128.35 0.2 . 1 . . . . 198 V N . 16838 1 836 . 1 1 198 198 ASN H H 1 8.728 0.050 . 1 . . . . 199 N HN . 16838 1 837 . 1 1 198 198 ASN C C 13 173.134 0.2 . 1 . . . . 199 N CO . 16838 1 838 . 1 1 198 198 ASN CA C 13 54.023 0.2 . 1 . . . . 199 N CA . 16838 1 839 . 1 1 198 198 ASN CB C 13 41.441 0.2 . 1 . . . . 199 N CB . 16838 1 840 . 1 1 198 198 ASN N N 15 123.803 0.2 . 1 . . . . 199 N N . 16838 1 841 . 1 1 199 199 ARG CA C 13 56.111 0.2 . 1 . . . . 200 R CA . 16838 1 842 . 1 1 200 200 LYS H H 1 9.049 0.050 . 1 . . . . 201 K HN . 16838 1 843 . 1 1 200 200 LYS C C 13 175.539 0.2 . 1 . . . . 201 K CO . 16838 1 844 . 1 1 200 200 LYS CA C 13 54.376 0.2 . 1 . . . . 201 K CA . 16838 1 845 . 1 1 200 200 LYS N N 15 121.135 0.2 . 1 . . . . 201 K N . 16838 1 846 . 1 1 201 201 SER H H 1 8.842 0.050 . 1 . . . . 202 S HN . 16838 1 847 . 1 1 201 201 SER C C 13 174.534 0.2 . 1 . . . . 202 S CO . 16838 1 848 . 1 1 201 201 SER CA C 13 55.231 0.2 . 1 . . . . 202 S CA . 16838 1 849 . 1 1 201 201 SER CB C 13 63.925 0.2 . 1 . . . . 202 S CB . 16838 1 850 . 1 1 201 201 SER N N 15 119.67 0.2 . 1 . . . . 202 S N . 16838 1 851 . 1 1 202 202 THR H H 1 8.295 0.050 . 1 . . . . 203 T HN . 16838 1 852 . 1 1 202 202 THR C C 13 175.344 0.2 . 1 . . . . 203 T CO . 16838 1 853 . 1 1 202 202 THR CA C 13 61.715 0.2 . 1 . . . . 203 T CA . 16838 1 854 . 1 1 202 202 THR CB C 13 70.933 0.2 . 1 . . . . 203 T CB . 16838 1 855 . 1 1 202 202 THR N N 15 125.917 0.2 . 1 . . . . 203 T N . 16838 1 856 . 1 1 203 203 ASP H H 1 8.224 0.050 . 1 . . . . 204 D HN . 16838 1 857 . 1 1 203 203 ASP C C 13 177.536 0.2 . 1 . . . . 204 D CO . 16838 1 858 . 1 1 203 203 ASP CA C 13 54.855 0.2 . 1 . . . . 204 D CA . 16838 1 859 . 1 1 203 203 ASP CB C 13 41.068 0.2 . 1 . . . . 204 D CB . 16838 1 860 . 1 1 203 203 ASP N N 15 122.512 0.2 . 1 . . . . 204 D N . 16838 1 861 . 1 1 204 204 SER H H 1 9.35 0.050 . 1 . . . . 205 S HN . 16838 1 862 . 1 1 204 204 SER C C 13 171.361 0.2 . 1 . . . . 205 S CO . 16838 1 863 . 1 1 204 204 SER CA C 13 57.656 0.2 . 1 . . . . 205 S CA . 16838 1 864 . 1 1 204 204 SER CB C 13 62.779 0.2 . 1 . . . . 205 S CB . 16838 1 865 . 1 1 204 204 SER N N 15 117.208 0.2 . 1 . . . . 205 S N . 16838 1 866 . 1 1 205 205 PRO C C 13 174.645 0.2 . 1 . . . . 206 P CO . 16838 1 867 . 1 1 205 205 PRO CA C 13 62.854 0.2 . 1 . . . . 206 P CA . 16838 1 868 . 1 1 206 206 VAL H H 1 8.017 0.050 . 1 . . . . 207 V HN . 16838 1 869 . 1 1 206 206 VAL C C 13 173.344 0.2 . 1 . . . . 207 V CO . 16838 1 870 . 1 1 206 206 VAL CA C 13 59.142 0.2 . 1 . . . . 207 V CA . 16838 1 871 . 1 1 206 206 VAL CB C 13 34.128 0.2 . 1 . . . . 207 V CB . 16838 1 872 . 1 1 206 206 VAL N N 15 118.465 0.2 . 1 . . . . 207 V N . 16838 1 873 . 1 1 207 207 GLU H H 1 8.928 0.050 . 1 . . . . 208 E HN . 16838 1 874 . 1 1 207 207 GLU C C 13 175.127 0.2 . 1 . . . . 208 E CO . 16838 1 875 . 1 1 207 207 GLU CA C 13 53.7 0.2 . 1 . . . . 208 E CA . 16838 1 876 . 1 1 207 207 GLU N N 15 122.176 0.2 . 1 . . . . 208 E N . 16838 1 877 . 1 1 208 208 CYS H H 1 8.652 0.050 . 1 . . . . 209 C HN . 16838 1 878 . 1 1 208 208 CYS C C 13 174.228 0.2 . 1 . . . . 209 C CO . 16838 1 879 . 1 1 208 208 CYS CA C 13 55.028 0.2 . 1 . . . . 209 C CA . 16838 1 880 . 1 1 208 208 CYS CB C 13 48.125 0.2 . 1 . . . . 209 C CB . 16838 1 881 . 1 1 208 208 CYS N N 15 117.739 0.2 . 1 . . . . 209 C N . 16838 1 882 . 1 1 209 209 MET H H 1 8.587 0.050 . 1 . . . . 210 M HN . 16838 1 883 . 1 1 209 209 MET C C 13 176.301 0.2 . 1 . . . . 210 M CO . 16838 1 884 . 1 1 209 209 MET CA C 13 56.393 0.2 . 1 . . . . 210 M CA . 16838 1 885 . 1 1 209 209 MET CB C 13 36.12 0.2 . 1 . . . . 210 M CB . 16838 1 886 . 1 1 209 209 MET N N 15 120.738 0.2 . 1 . . . . 210 M N . 16838 1 887 . 1 1 210 210 GLY H H 1 8.613 0.050 . 1 . . . . 211 G HN . 16838 1 888 . 1 1 210 210 GLY CA C 13 45.133 0.2 . 1 . . . . 211 G CA . 16838 1 889 . 1 1 210 210 GLY N N 15 108.722 0.2 . 1 . . . . 211 G N . 16838 1 890 . 1 1 211 211 GLN H H 1 8.034 0.050 . 1 . . . . 212 Q HN . 16838 1 891 . 1 1 211 211 GLN C C 13 175.344 0.2 . 1 . . . . 212 Q CO . 16838 1 892 . 1 1 211 211 GLN CA C 13 55.21 0.2 . 1 . . . . 212 Q CA . 16838 1 893 . 1 1 211 211 GLN CB C 13 29.151 0.2 . 1 . . . . 212 Q CB . 16838 1 894 . 1 1 211 211 GLN N N 15 118.898 0.2 . 1 . . . . 212 Q N . 16838 1 895 . 1 1 212 212 GLU H H 1 8.574 0.050 . 1 . . . . 213 E HN . 16838 1 896 . 1 1 212 212 GLU C C 13 176.472 0.2 . 1 . . . . 213 E CO . 16838 1 897 . 1 1 212 212 GLU CA C 13 56.297 0.2 . 1 . . . . 213 E CA . 16838 1 898 . 1 1 212 212 GLU CB C 13 29.845 0.2 . 1 . . . . 213 E CB . 16838 1 899 . 1 1 212 212 GLU N N 15 122.644 0.2 . 1 . . . . 213 E N . 16838 1 900 . 1 1 213 213 LYS H H 1 8.425 0.050 . 1 . . . . 214 K HN . 16838 1 901 . 1 1 213 213 LYS C C 13 177.058 0.2 . 1 . . . . 214 K CO . 16838 1 902 . 1 1 213 213 LYS CA C 13 56.117 0.2 . 1 . . . . 214 K CA . 16838 1 903 . 1 1 213 213 LYS CB C 13 32.242 0.2 . 1 . . . . 214 K CB . 16838 1 904 . 1 1 213 213 LYS N N 15 122.308 0.2 . 1 . . . . 214 K N . 16838 1 905 . 1 1 214 214 GLY H H 1 8.377 0.050 . 1 . . . . 215 G HN . 16838 1 906 . 1 1 214 214 GLY C C 13 174.622 0.2 . 1 . . . . 215 G CO . 16838 1 907 . 1 1 214 214 GLY CA C 13 44.825 0.2 . 1 . . . . 215 G CA . 16838 1 908 . 1 1 214 214 GLY N N 15 109.577 0.2 . 1 . . . . 215 G N . 16838 1 909 . 1 1 215 215 GLU H H 1 8.104 0.050 . 1 . . . . 216 E HN . 16838 1 910 . 1 1 215 215 GLU C C 13 176.151 0.2 . 1 . . . . 216 E CO . 16838 1 911 . 1 1 215 215 GLU CA C 13 56.014 0.2 . 1 . . . . 216 E CA . 16838 1 912 . 1 1 215 215 GLU CB C 13 29.814 0.2 . 1 . . . . 216 E CB . 16838 1 913 . 1 1 215 215 GLU N N 15 120.63 0.2 . 1 . . . . 216 E N . 16838 1 914 . 1 1 216 216 PHE H H 1 8.273 0.050 . 1 . . . . 217 F HN . 16838 1 915 . 1 1 216 216 PHE C C 13 175.549 0.2 . 1 . . . . 217 F CO . 16838 1 916 . 1 1 216 216 PHE CA C 13 57.318 0.2 . 1 . . . . 217 F CA . 16838 1 917 . 1 1 216 216 PHE N N 15 121.181 0.2 . 1 . . . . 217 F N . 16838 1 918 . 1 1 217 217 ARG H H 1 8.083 0.050 . 1 . . . . 218 R HN . 16838 1 919 . 1 1 217 217 ARG C C 13 175.895 0.2 . 1 . . . . 218 R CO . 16838 1 920 . 1 1 217 217 ARG CA C 13 55.383 0.2 . 1 . . . . 218 R CA . 16838 1 921 . 1 1 217 217 ARG N N 15 123.05 0.2 . 1 . . . . 218 R N . 16838 1 922 . 1 1 218 218 GLU H H 1 8.352 0.050 . 1 . . . . 219 E HN . 16838 1 923 . 1 1 218 218 GLU C C 13 176.92 0.2 . 1 . . . . 219 E CO . 16838 1 924 . 1 1 218 218 GLU CA C 13 56.395 0.2 . 1 . . . . 219 E CA . 16838 1 925 . 1 1 218 218 GLU N N 15 122.002 0.2 . 1 . . . . 219 E N . 16838 1 926 . 1 1 219 219 GLY H H 1 8.417 0.050 . 1 . . . . 220 G HN . 16838 1 927 . 1 1 219 219 GLY C C 13 174.854 0.2 . 1 . . . . 220 G CO . 16838 1 928 . 1 1 219 219 GLY CA C 13 45.032 0.2 . 1 . . . . 220 G CA . 16838 1 929 . 1 1 219 219 GLY N N 15 110.083 0.2 . 1 . . . . 220 G N . 16838 1 930 . 1 1 220 220 GLY H H 1 8.212 0.050 . 1 . . . . 221 G HN . 16838 1 931 . 1 1 220 220 GLY CA C 13 44.822 0.2 . 1 . . . . 221 G CA . 16838 1 932 . 1 1 220 220 GLY N N 15 108.629 0.2 . 1 . . . . 221 G N . 16838 1 933 . 1 1 221 221 ALA H H 1 8.177 0.050 . 1 . . . . 222 A HN . 16838 1 934 . 1 1 221 221 ALA C C 13 177.854 0.2 . 1 . . . . 222 A CO . 16838 1 935 . 1 1 221 221 ALA CA C 13 52.175 0.2 . 1 . . . . 222 A CA . 16838 1 936 . 1 1 221 221 ALA N N 15 123.671 0.2 . 1 . . . . 222 A N . 16838 1 937 . 1 1 222 222 ALA H H 1 8.187 0.050 . 1 . . . . 223 A HN . 16838 1 938 . 1 1 222 222 ALA C C 13 178.343 0.2 . 1 . . . . 223 A CO . 16838 1 939 . 1 1 222 222 ALA N N 15 122.24 0.2 . 1 . . . . 223 A N . 16838 1 940 . 1 1 223 223 GLY H H 1 8.164 0.050 . 1 . . . . 224 G HN . 16838 1 941 . 1 1 223 223 GLY CA C 13 44.86 0.2 . 1 . . . . 224 G CA . 16838 1 942 . 1 1 223 223 GLY N N 15 110.593 0.2 . 1 . . . . 224 G N . 16838 1 943 . 1 1 224 224 HIS H H 1 8.264 0.050 . 1 . . . . 225 H HN . 16838 1 944 . 1 1 224 224 HIS N N 15 121.073 0.2 . 1 . . . . 225 H N . 16838 1 945 . 1 1 225 225 HIS C C 13 174.526 0.2 . 1 . . . . 226 H CO . 16838 1 946 . 1 1 225 225 HIS CA C 13 54.985 0.2 . 1 . . . . 226 H CA . 16838 1 947 . 1 1 226 226 HIS H H 1 8.365 0.050 . 1 . . . . 227 H HN . 16838 1 948 . 1 1 226 226 HIS CA C 13 55.538 0.2 . 1 . . . . 227 H CA . 16838 1 949 . 1 1 226 226 HIS N N 15 119.237 0.2 . 1 . . . . 227 H N . 16838 1 950 . 1 1 227 227 HIS H H 1 8.032 0.050 . 1 . . . . 228 H HN . 16838 1 951 . 1 1 227 227 HIS N N 15 125.112 0.2 . 1 . . . . 228 H N . 16838 1 stop_ save_