data_15488 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15488 _Entry.Title ; Backbone 1H, 15N, 13CO and 13CA resonance assignment of ABL kinase domain in complex with imatinib ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-25 _Entry.Accession_date 2007-09-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Navratna Vajpai . . . 15488 2 Andre Strauss . . . 15488 3 Gabriele Fendrich . . . 15488 4 Sandra Cowan-Jacob . W. . 15488 5 Paul Manley . W. . 15488 6 Wolfgang Jahnke . . . 15488 7 Stephan Grzesiek . . . 15488 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Biozentrum, University of Basel' . 15488 2 . 'Novartis Institutes of Biomedical Research, Basel' . 15488 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15488 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 516 15488 '1H chemical shifts' 254 15488 '15N chemical shifts' 254 15488 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 3 . . 2009-08-12 2007-09-25 update BMRB 'added PubMed ID' 15488 2 . . 2008-06-05 2007-09-25 update BMRB 'complete entry citation' 15488 1 . . 2008-03-31 2007-09-25 original author 'original release' 15488 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1IEP 'Crystal structure of ABL kinase domain in complex with imatinib (Nagar et al. 2002, Can. Res.)' 15488 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15488 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636920 _Citation.Full_citation . _Citation.Title 'Backbone NMR resonance assignment of the Abelson kinase domain in complex with imatinib' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 1 _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 41 _Citation.Page_last 42 _Citation.Year 2008 _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 Navratna Vajpai . . . 15488 1 2 Andre Strauss . . . 15488 1 3 Gabriele Fendrich . . . 15488 1 4 Sandra Cowan-Jacob . W. . 15488 1 5 Paul Manley . W. . 15488 1 6 Wolfgang Jahnke . . . 15488 1 7 Stephan Grzesiek . . . 15488 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15488 _Assembly.ID 1 _Assembly.Name 'ABL kinase domain with imatinib' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'EC 2.7.1.112' _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 'ABL kinase domain' 1 $ABL_kinase_domain_GAMDP-S229-S500 A . yes native no no . . . 15488 1 2 imatinib 2 $entity_STI A . no native no no . . . 15488 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 1IEP . . X-ray . 'Backbone resonance assignment of the the ABL-imatinib complex is reported.' . 15488 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'signal transdcution pathways, misregulation leads to Leukemia' 15488 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ABL_kinase_domain_GAMDP-S229-S500 _Entity.Sf_category entity _Entity.Sf_framecode ABL_kinase_domain_GAMDP-S229-S500 _Entity.Entry_ID 15488 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ABL_kinase_domain_GAMDP-S229-S500 _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 ; GAMDPSPNYDKWEMERTDIT MKHKLGGGQYGEVYEGVWKK YSLTVAVKTLKEDTMEVEEF LKEAAVMKEIKHPNLVQLLG VCTREPPFYIITEFMTYGNL LDYLRECNRQEVNAVVLLYM ATQISSAMEYLEKKNFIHRD LAARNCLVGENHLVKVADFG LSRLMTGDTYTAHAGAKFPI KWTAPESLAYNKFSIKSDVW AFGVLLWEIATYGMSPYPGI DLSQVYELLEKDYRMERPEG CPEKVYELMRACWQWNPSDR PSFAEIHQAFETMFQES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq GAMDP-S229-S500 _Entity.Polymer_author_seq_details 'GAMDP comes as cloning artifact. Real sequence starts from S229 to S500.' _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 277 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'ABL kinase domain' _Entity.Mutation . _Entity.EC_number 'EC 2.7.1.112' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 32014.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1FPU . "Crystal Structure Of Abl Kinase Domain In Complex With A Small Molecule Inhibitor" . . . . . 100.36 293 99.28 99.64 0.00e+00 . . . . 15488 1 2 no PDB 1IEP . "Crystal Structure Of The C-Abl Kinase Domain In Complex With Sti-571." . . . . . 100.36 293 99.28 99.64 0.00e+00 . . . . 15488 1 3 no PDB 1M52 . "Crystal Structure Of The C-Abl Kinase Domain In Complex With Pd173955" . . . . . 100.36 293 99.28 99.64 0.00e+00 . . . . 15488 1 4 no PDB 1OPJ . "Structural Basis For The Auto-Inhibition Of C-Abl Tyrosine Kinase" . . . . . 100.36 293 99.28 99.64 0.00e+00 . . . . 15488 1 5 no PDB 1OPK . "Structural Basis For The Auto-Inhibition Of C-Abl Tyrosine Kinase" . . . . . 98.19 495 99.26 100.00 0.00e+00 . . . . 15488 1 6 no PDB 1OPL . "Structural Basis For The Auto-Inhibition Of C-Abl Tyrosine Kinase" . . . . . 98.19 537 99.63 100.00 0.00e+00 . . . . 15488 1 7 no PDB 2E2B . "Crystal Structure Of The C-Abl Kinase Domain In Complex With Inno-406" . . . . . 100.36 293 99.64 99.64 0.00e+00 . . . . 15488 1 8 no PDB 2F4J . "Structure Of The Kinase Domain Of An Imatinib-Resistant Abl Mutant In Complex With The Aurora Kinase Inhibitor Vx-680" . . . . . 98.19 287 99.63 99.63 0.00e+00 . . . . 15488 1 9 no PDB 2FO0 . "Organization Of The Sh3-Sh2 Unit In Active And Inactive Forms Of The C-Abl Tyrosine Kinase" . . . . . 98.19 495 99.63 100.00 0.00e+00 . . . . 15488 1 10 no PDB 2G1T . "A Src-Like Inactive Conformation In The Abl Tyrosine Kinase Domain" . . . . . 98.19 287 100.00 100.00 0.00e+00 . . . . 15488 1 11 no PDB 2G2F . "A Src-Like Inactive Conformation In The Abl Tyrosine Kinase Domain" . . . . . 98.19 287 99.63 99.63 0.00e+00 . . . . 15488 1 12 no PDB 2G2H . "A Src-Like Inactive Conformation In The Abl Tyrosine Kinase Domain" . . . . . 98.19 287 99.63 99.63 0.00e+00 . . . . 15488 1 13 no PDB 2G2I . "A Src-Like Inactive Conformation In The Abl Tyrosine Kinase Domain" . . . . . 98.19 287 99.63 99.63 0.00e+00 . . . . 15488 1 14 no PDB 2GQG . "X-Ray Crystal Structure Of Dasatinib (Bms-354825) Bound To Activated Abl Kinase Domain" . . . . . 100.36 278 99.28 99.28 0.00e+00 . . . . 15488 1 15 no PDB 2HIW . "Crystal Structure Of Inactive Conformation Abl Kinase Catalytic Domain Complexed With Type Ii Inhibitor" . . . . . 100.00 287 99.28 99.28 0.00e+00 . . . . 15488 1 16 no PDB 2HYY . "Human Abl Kinase Domain In Complex With Imatinib (Sti571, Glivec)" . . . . . 98.19 273 100.00 100.00 0.00e+00 . . . . 15488 1 17 no PDB 2HZ0 . "Abl Kinase Domain In Complex With Nvp-Aeg082" . . . . . 97.11 270 100.00 100.00 0.00e+00 . . . . 15488 1 18 no PDB 2HZ4 . "Abl Kinase Domain Unligated And In Complex With Tetrahydrostaurosporine" . . . . . 98.19 273 100.00 100.00 0.00e+00 . . . . 15488 1 19 no PDB 2HZI . "Abl Kinase Domain In Complex With Pd180970" . . . . . 100.00 277 100.00 100.00 0.00e+00 . . . . 15488 1 20 no PDB 2HZN . "Abl Kinase Domain In Complex With Nvp-Afg210" . . . . . 100.36 293 99.28 99.64 0.00e+00 . . . . 15488 1 21 no PDB 2QOH . "Crystal Structure Of Abl Kinase Bound With Ppy-a" . . . . . 98.19 288 99.63 100.00 0.00e+00 . . . . 15488 1 22 no PDB 2V7A . "Crystal Structure Of The T315i Abl Mutant In Complex With The Inhibitor Pha-739358" . . . . . 98.56 286 99.27 99.27 0.00e+00 . . . . 15488 1 23 no PDB 2Z60 . "Crystal Structure Of The T315i Mutant Of Abl Kinase Bound With Ppy-A" . . . . . 98.19 288 99.26 99.63 0.00e+00 . . . . 15488 1 24 no PDB 3CS9 . "Human Abl Kinase In Complex With Nilotinib" . . . . . 100.00 277 100.00 100.00 0.00e+00 . . . . 15488 1 25 no PDB 3DK3 . "Crystal Structure Of Mutant Abl Kinase Domain In Complex With Small Molecule Fragment" . . . . . 96.75 293 98.88 99.63 0.00e+00 . . . . 15488 1 26 no PDB 3DK6 . "Crystal Structure Of Mutant Abl Kinase Domain In Complex With Small Molecule Fragment" . . . . . 96.75 293 98.51 99.25 0.00e+00 . . . . 15488 1 27 no PDB 3DK7 . "Crystal Structure Of Mutant Abl Kinase Domain In Complex With Small Molecule Fragment" . . . . . 96.75 277 98.51 98.88 0.00e+00 . . . . 15488 1 28 no PDB 3IK3 . "Ap24534, A Pan-Bcr-Abl Inhibitor For Chronic Myeloid Leukemi Potently Inhibits The T315i Mutant And Overcomes Mutation-B Resist" . . . . . 98.19 288 99.26 99.63 0.00e+00 . . . . 15488 1 29 no PDB 3K5V . "Structure Of Abl Kinase In Complex With Imatinib And Gnf-2" . . . . . 100.36 293 99.28 99.64 0.00e+00 . . . . 15488 1 30 no PDB 3KF4 . "Structural Analysis Of Dfg-In And Dfg-Out Dual Src-Abl Inhibitors Sharing A Common Vinyl Purine Template" . . . . . 98.19 288 99.63 100.00 0.00e+00 . . . . 15488 1 31 no PDB 3KFA . "Structural Analysis Of Dfg-In And Dfg-Out Dual Src-Abl Inhibitors Sharing A Common Vinyl Purine Template" . . . . . 98.19 288 99.63 100.00 0.00e+00 . . . . 15488 1 32 no PDB 3MS9 . "Abl Kinase In Complex With Imatinib And A Fragment (Frag1) I Myristate Pocket" . . . . . 100.36 293 99.28 99.64 0.00e+00 . . . . 15488 1 33 no PDB 3MSS . "Abl Kinase In Complex With Imatinib And Fragment (Frag2) In The Myristate Site" . . . . . 100.36 293 99.28 99.64 0.00e+00 . . . . 15488 1 34 no PDB 3OXZ . "Crystal Structure Of Abl Kinase Domain Bound With A Dfg-Out Inhibitor Ap24534" . . . . . 98.19 284 99.63 100.00 0.00e+00 . . . . 15488 1 35 no PDB 3OY3 . "Crystal Structure Of Abl T315i Mutant Kinase Domain Bound With A Dfg- Out Inhibitor Ap24589" . . . . . 98.19 284 99.26 99.63 0.00e+00 . . . . 15488 1 36 no PDB 3PYY . "Discovery And Characterization Of A Cell-Permeable, Small-Molecule C- Abl Kinase Activator That Binds To The Myristoyl Binding " . . . . . 98.19 298 100.00 100.00 0.00e+00 . . . . 15488 1 37 no PDB 3QRI . "The Crystal Structure Of Human Abl1 Kinase Domain In Complex With Dcc- 2036" . . . . . 99.64 277 99.28 99.64 0.00e+00 . . . . 15488 1 38 no PDB 3QRJ . "The Crystal Structure Of Human Abl1 Kinase Domain T315i Mutant In Complex With Dcc-2036" . . . . . 99.64 277 98.91 99.28 0.00e+00 . . . . 15488 1 39 no PDB 3QRK . "The Crystal Structure Of Human Abl1 Kinase Domain In Complex With Dp- 987" . . . . . 99.64 277 99.28 99.64 0.00e+00 . . . . 15488 1 40 no PDB 3UE4 . "Structural And Spectroscopic Analysis Of The Kinase Inhibitor Bosutinib Binding To The Abl Tyrosine Kinase Domain" . . . . . 98.19 287 100.00 100.00 0.00e+00 . . . . 15488 1 41 no PDB 4TWP . "The Crystal Structure Of Human Abl1 T315i Gatekeeper Mutant Kinase Domain In Complex With Axitinib" . . . . . 96.75 271 99.63 99.63 0.00e+00 . . . . 15488 1 42 no PDB 4WA9 . "The Crystal Structure Of Human Abl1 Wild Type Kinase Domain In Complex With Axitinib" . . . . . 98.19 286 100.00 100.00 0.00e+00 . . . . 15488 1 43 no PDB 4XEY . "Crystal Structure Of An Sh2-kinase Domain Construct Of C-abl Tyrosine Kinase" . . . . . 98.19 408 100.00 100.00 0.00e+00 . . . . 15488 1 44 no DBJ BAC41088 . "unnamed protein product [Mus musculus]" . . . . . 98.19 1123 99.63 100.00 0.00e+00 . . . . 15488 1 45 no DBJ BAD92693 . "v-abl Abelson murine leukemia viral oncogene homolog 1 isoform b variant [Homo sapiens]" . . . . . 98.19 1167 100.00 100.00 0.00e+00 . . . . 15488 1 46 no DBJ BAD92879 . "Proto-oncogene tyrosine-protein kinase ABL1 variant [Homo sapiens]" . . . . . 90.97 949 100.00 100.00 0.00e+00 . . . . 15488 1 47 no DBJ BAE38629 . "unnamed protein product [Mus musculus]" . . . . . 95.31 368 99.24 99.62 0.00e+00 . . . . 15488 1 48 no DBJ BAE43394 . "unnamed protein product [Mus musculus]" . . . . . 95.31 368 99.62 100.00 0.00e+00 . . . . 15488 1 49 no EMBL CAA24781 . "oncogene v-abl [Mus sp.]" . . . . . 98.19 918 99.63 100.00 0.00e+00 . . . . 15488 1 50 no EMBL CAA34438 . "unnamed protein product [Homo sapiens]" . . . . . 98.19 1130 100.00 100.00 0.00e+00 . . . . 15488 1 51 no EMBL CAB56204 . "unnamed protein product [Abelson murine leukemia virus]" . . . . . 98.19 818 99.63 100.00 0.00e+00 . . . . 15488 1 52 no EMBL CDQ98411 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 71.48 207 97.47 100.00 8.82e-141 . . . . 15488 1 53 no GB AAA51561 . "abl protein [Homo sapiens]" . . . . . 98.19 1130 99.26 99.63 0.00e+00 . . . . 15488 1 54 no GB AAA88241 . "125 kDa c-abl protein [Mus musculus]" . . . . . 98.19 1123 99.63 100.00 0.00e+00 . . . . 15488 1 55 no GB AAB60393 . "proto-oncogene tyrosine-protein kinase [Homo sapiens]" . . . . . 98.19 1149 100.00 100.00 0.00e+00 . . . . 15488 1 56 no GB AAB60394 . "proto-oncogene tyrosine-protein kinase [Homo sapiens]" . . . . . 98.19 1130 100.00 100.00 0.00e+00 . . . . 15488 1 57 no GB AAC82569 . "p120 polyprotein [Abelson murine leukemia virus]" . . . . . 98.19 981 99.63 100.00 0.00e+00 . . . . 15488 1 58 no REF NP_001094320 . "tyrosine-protein kinase ABL1 [Rattus norvegicus]" . . . . . 98.19 1143 99.63 100.00 0.00e+00 . . . . 15488 1 59 no REF NP_001106174 . "tyrosine-protein kinase ABL1 isoform a [Mus musculus]" . . . . . 98.19 1142 99.63 100.00 0.00e+00 . . . . 15488 1 60 no REF NP_001193789 . "tyrosine-protein kinase ABL1 [Bos taurus]" . . . . . 98.19 1151 99.26 100.00 0.00e+00 . . . . 15488 1 61 no REF NP_001269974 . "tyrosine-protein kinase ABL1 isoform c [Mus musculus]" . . . . . 98.19 1118 99.63 100.00 0.00e+00 . . . . 15488 1 62 no REF NP_001269975 . "tyrosine-protein kinase ABL1 isoform d [Mus musculus]" . . . . . 98.19 1117 99.63 100.00 0.00e+00 . . . . 15488 1 63 no SP P00519 . "RecName: Full=Tyrosine-protein kinase ABL1; AltName: Full=Abelson murine leukemia viral oncogene homolog 1; AltName: Full=Abels" . . . . . 98.19 1130 100.00 100.00 0.00e+00 . . . . 15488 1 64 no SP P00520 . "RecName: Full=Tyrosine-protein kinase ABL1; AltName: Full=Abelson murine leukemia viral oncogene homolog 1; AltName: Full=Abels" . . . . . 98.19 1123 99.63 100.00 0.00e+00 . . . . 15488 1 65 no SP P00521 . "RecName: Full=Tyrosine-protein kinase transforming protein Abl; AltName: Full=V-abl" . . . . . 98.19 746 99.63 100.00 0.00e+00 . . . . 15488 1 66 no SP P10447 . "RecName: Full=Tyrosine-protein kinase transforming protein Abl; AltName: Full=V-abl" . . . . . 94.58 439 99.24 99.62 0.00e+00 . . . . 15488 1 67 no TPG DAA24240 . "TPA: arg tyrosine kinase-like [Bos taurus]" . . . . . 98.19 1151 99.26 100.00 0.00e+00 . . . . 15488 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'kinase, signal transduction pathways' 15488 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 1 224 GLY . 15488 1 2 225 ALA . 15488 1 3 226 MET . 15488 1 4 227 ASP . 15488 1 5 228 PRO . 15488 1 6 229 SER . 15488 1 7 230 PRO . 15488 1 8 231 ASN . 15488 1 9 232 TYR . 15488 1 10 233 ASP . 15488 1 11 234 LYS . 15488 1 12 235 TRP . 15488 1 13 236 GLU . 15488 1 14 237 MET . 15488 1 15 238 GLU . 15488 1 16 239 ARG . 15488 1 17 240 THR . 15488 1 18 241 ASP . 15488 1 19 242 ILE . 15488 1 20 243 THR . 15488 1 21 244 MET . 15488 1 22 245 LYS . 15488 1 23 246 HIS . 15488 1 24 247 LYS . 15488 1 25 248 LEU . 15488 1 26 249 GLY . 15488 1 27 250 GLY . 15488 1 28 251 GLY . 15488 1 29 252 GLN . 15488 1 30 253 TYR . 15488 1 31 254 GLY . 15488 1 32 255 GLU . 15488 1 33 256 VAL . 15488 1 34 257 TYR . 15488 1 35 258 GLU . 15488 1 36 259 GLY . 15488 1 37 260 VAL . 15488 1 38 261 TRP . 15488 1 39 262 LYS . 15488 1 40 263 LYS . 15488 1 41 264 TYR . 15488 1 42 265 SER . 15488 1 43 266 LEU . 15488 1 44 267 THR . 15488 1 45 268 VAL . 15488 1 46 269 ALA . 15488 1 47 270 VAL . 15488 1 48 271 LYS . 15488 1 49 272 THR . 15488 1 50 273 LEU . 15488 1 51 274 LYS . 15488 1 52 275 GLU . 15488 1 53 276 ASP . 15488 1 54 277 THR . 15488 1 55 278 MET . 15488 1 56 279 GLU . 15488 1 57 280 VAL . 15488 1 58 281 GLU . 15488 1 59 282 GLU . 15488 1 60 283 PHE . 15488 1 61 284 LEU . 15488 1 62 285 LYS . 15488 1 63 286 GLU . 15488 1 64 287 ALA . 15488 1 65 288 ALA . 15488 1 66 289 VAL . 15488 1 67 290 MET . 15488 1 68 291 LYS . 15488 1 69 292 GLU . 15488 1 70 293 ILE . 15488 1 71 294 LYS . 15488 1 72 295 HIS . 15488 1 73 296 PRO . 15488 1 74 297 ASN . 15488 1 75 298 LEU . 15488 1 76 299 VAL . 15488 1 77 300 GLN . 15488 1 78 301 LEU . 15488 1 79 302 LEU . 15488 1 80 303 GLY . 15488 1 81 304 VAL . 15488 1 82 305 CYS . 15488 1 83 306 THR . 15488 1 84 307 ARG . 15488 1 85 308 GLU . 15488 1 86 309 PRO . 15488 1 87 310 PRO . 15488 1 88 311 PHE . 15488 1 89 312 TYR . 15488 1 90 313 ILE . 15488 1 91 314 ILE . 15488 1 92 315 THR . 15488 1 93 316 GLU . 15488 1 94 317 PHE . 15488 1 95 318 MET . 15488 1 96 319 THR . 15488 1 97 320 TYR . 15488 1 98 321 GLY . 15488 1 99 322 ASN . 15488 1 100 323 LEU . 15488 1 101 324 LEU . 15488 1 102 325 ASP . 15488 1 103 326 TYR . 15488 1 104 327 LEU . 15488 1 105 328 ARG . 15488 1 106 329 GLU . 15488 1 107 330 CYS . 15488 1 108 331 ASN . 15488 1 109 332 ARG . 15488 1 110 333 GLN . 15488 1 111 334 GLU . 15488 1 112 335 VAL . 15488 1 113 336 ASN . 15488 1 114 337 ALA . 15488 1 115 338 VAL . 15488 1 116 339 VAL . 15488 1 117 340 LEU . 15488 1 118 341 LEU . 15488 1 119 342 TYR . 15488 1 120 343 MET . 15488 1 121 344 ALA . 15488 1 122 345 THR . 15488 1 123 346 GLN . 15488 1 124 347 ILE . 15488 1 125 348 SER . 15488 1 126 349 SER . 15488 1 127 350 ALA . 15488 1 128 351 MET . 15488 1 129 352 GLU . 15488 1 130 353 TYR . 15488 1 131 354 LEU . 15488 1 132 355 GLU . 15488 1 133 356 LYS . 15488 1 134 357 LYS . 15488 1 135 358 ASN . 15488 1 136 359 PHE . 15488 1 137 360 ILE . 15488 1 138 361 HIS . 15488 1 139 362 ARG . 15488 1 140 363 ASP . 15488 1 141 364 LEU . 15488 1 142 365 ALA . 15488 1 143 366 ALA . 15488 1 144 367 ARG . 15488 1 145 368 ASN . 15488 1 146 369 CYS . 15488 1 147 370 LEU . 15488 1 148 371 VAL . 15488 1 149 372 GLY . 15488 1 150 373 GLU . 15488 1 151 374 ASN . 15488 1 152 375 HIS . 15488 1 153 376 LEU . 15488 1 154 377 VAL . 15488 1 155 378 LYS . 15488 1 156 379 VAL . 15488 1 157 380 ALA . 15488 1 158 381 ASP . 15488 1 159 382 PHE . 15488 1 160 383 GLY . 15488 1 161 384 LEU . 15488 1 162 385 SER . 15488 1 163 386 ARG . 15488 1 164 387 LEU . 15488 1 165 388 MET . 15488 1 166 389 THR . 15488 1 167 390 GLY . 15488 1 168 391 ASP . 15488 1 169 392 THR . 15488 1 170 393 TYR . 15488 1 171 394 THR . 15488 1 172 395 ALA . 15488 1 173 396 HIS . 15488 1 174 397 ALA . 15488 1 175 398 GLY . 15488 1 176 399 ALA . 15488 1 177 400 LYS . 15488 1 178 401 PHE . 15488 1 179 402 PRO . 15488 1 180 403 ILE . 15488 1 181 404 LYS . 15488 1 182 405 TRP . 15488 1 183 406 THR . 15488 1 184 407 ALA . 15488 1 185 408 PRO . 15488 1 186 409 GLU . 15488 1 187 410 SER . 15488 1 188 411 LEU . 15488 1 189 412 ALA . 15488 1 190 413 TYR . 15488 1 191 414 ASN . 15488 1 192 415 LYS . 15488 1 193 416 PHE . 15488 1 194 417 SER . 15488 1 195 418 ILE . 15488 1 196 419 LYS . 15488 1 197 420 SER . 15488 1 198 421 ASP . 15488 1 199 422 VAL . 15488 1 200 423 TRP . 15488 1 201 424 ALA . 15488 1 202 425 PHE . 15488 1 203 426 GLY . 15488 1 204 427 VAL . 15488 1 205 428 LEU . 15488 1 206 429 LEU . 15488 1 207 430 TRP . 15488 1 208 431 GLU . 15488 1 209 432 ILE . 15488 1 210 433 ALA . 15488 1 211 434 THR . 15488 1 212 435 TYR . 15488 1 213 436 GLY . 15488 1 214 437 MET . 15488 1 215 438 SER . 15488 1 216 439 PRO . 15488 1 217 440 TYR . 15488 1 218 441 PRO . 15488 1 219 442 GLY . 15488 1 220 443 ILE . 15488 1 221 444 ASP . 15488 1 222 445 LEU . 15488 1 223 446 SER . 15488 1 224 447 GLN . 15488 1 225 448 VAL . 15488 1 226 449 TYR . 15488 1 227 450 GLU . 15488 1 228 451 LEU . 15488 1 229 452 LEU . 15488 1 230 453 GLU . 15488 1 231 454 LYS . 15488 1 232 455 ASP . 15488 1 233 456 TYR . 15488 1 234 457 ARG . 15488 1 235 458 MET . 15488 1 236 459 GLU . 15488 1 237 460 ARG . 15488 1 238 461 PRO . 15488 1 239 462 GLU . 15488 1 240 463 GLY . 15488 1 241 464 CYS . 15488 1 242 465 PRO . 15488 1 243 466 GLU . 15488 1 244 467 LYS . 15488 1 245 468 VAL . 15488 1 246 469 TYR . 15488 1 247 470 GLU . 15488 1 248 471 LEU . 15488 1 249 472 MET . 15488 1 250 473 ARG . 15488 1 251 474 ALA . 15488 1 252 475 CYS . 15488 1 253 476 TRP . 15488 1 254 477 GLN . 15488 1 255 478 TRP . 15488 1 256 479 ASN . 15488 1 257 480 PRO . 15488 1 258 481 SER . 15488 1 259 482 ASP . 15488 1 260 483 ARG . 15488 1 261 484 PRO . 15488 1 262 485 SER . 15488 1 263 486 PHE . 15488 1 264 487 ALA . 15488 1 265 488 GLU . 15488 1 266 489 ILE . 15488 1 267 490 HIS . 15488 1 268 491 GLN . 15488 1 269 492 ALA . 15488 1 270 493 PHE . 15488 1 271 494 GLU . 15488 1 272 495 THR . 15488 1 273 496 MET . 15488 1 274 497 PHE . 15488 1 275 498 GLN . 15488 1 276 499 GLU . 15488 1 277 500 SER . 15488 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 . GLY 1 1 15488 1 . ALA 2 2 15488 1 . MET 3 3 15488 1 . ASP 4 4 15488 1 . PRO 5 5 15488 1 . SER 6 6 15488 1 . PRO 7 7 15488 1 . ASN 8 8 15488 1 . TYR 9 9 15488 1 . ASP 10 10 15488 1 . LYS 11 11 15488 1 . TRP 12 12 15488 1 . GLU 13 13 15488 1 . MET 14 14 15488 1 . GLU 15 15 15488 1 . ARG 16 16 15488 1 . THR 17 17 15488 1 . ASP 18 18 15488 1 . ILE 19 19 15488 1 . THR 20 20 15488 1 . MET 21 21 15488 1 . LYS 22 22 15488 1 . HIS 23 23 15488 1 . LYS 24 24 15488 1 . LEU 25 25 15488 1 . GLY 26 26 15488 1 . GLY 27 27 15488 1 . GLY 28 28 15488 1 . GLN 29 29 15488 1 . TYR 30 30 15488 1 . GLY 31 31 15488 1 . GLU 32 32 15488 1 . VAL 33 33 15488 1 . TYR 34 34 15488 1 . GLU 35 35 15488 1 . GLY 36 36 15488 1 . VAL 37 37 15488 1 . TRP 38 38 15488 1 . LYS 39 39 15488 1 . LYS 40 40 15488 1 . TYR 41 41 15488 1 . SER 42 42 15488 1 . LEU 43 43 15488 1 . THR 44 44 15488 1 . VAL 45 45 15488 1 . ALA 46 46 15488 1 . VAL 47 47 15488 1 . LYS 48 48 15488 1 . THR 49 49 15488 1 . LEU 50 50 15488 1 . LYS 51 51 15488 1 . GLU 52 52 15488 1 . ASP 53 53 15488 1 . THR 54 54 15488 1 . MET 55 55 15488 1 . GLU 56 56 15488 1 . VAL 57 57 15488 1 . GLU 58 58 15488 1 . GLU 59 59 15488 1 . PHE 60 60 15488 1 . LEU 61 61 15488 1 . LYS 62 62 15488 1 . GLU 63 63 15488 1 . ALA 64 64 15488 1 . ALA 65 65 15488 1 . VAL 66 66 15488 1 . MET 67 67 15488 1 . LYS 68 68 15488 1 . GLU 69 69 15488 1 . ILE 70 70 15488 1 . LYS 71 71 15488 1 . HIS 72 72 15488 1 . PRO 73 73 15488 1 . ASN 74 74 15488 1 . LEU 75 75 15488 1 . VAL 76 76 15488 1 . GLN 77 77 15488 1 . LEU 78 78 15488 1 . LEU 79 79 15488 1 . GLY 80 80 15488 1 . VAL 81 81 15488 1 . CYS 82 82 15488 1 . THR 83 83 15488 1 . ARG 84 84 15488 1 . GLU 85 85 15488 1 . PRO 86 86 15488 1 . PRO 87 87 15488 1 . PHE 88 88 15488 1 . TYR 89 89 15488 1 . ILE 90 90 15488 1 . ILE 91 91 15488 1 . THR 92 92 15488 1 . GLU 93 93 15488 1 . PHE 94 94 15488 1 . MET 95 95 15488 1 . THR 96 96 15488 1 . TYR 97 97 15488 1 . GLY 98 98 15488 1 . ASN 99 99 15488 1 . LEU 100 100 15488 1 . LEU 101 101 15488 1 . ASP 102 102 15488 1 . TYR 103 103 15488 1 . LEU 104 104 15488 1 . ARG 105 105 15488 1 . GLU 106 106 15488 1 . CYS 107 107 15488 1 . ASN 108 108 15488 1 . ARG 109 109 15488 1 . GLN 110 110 15488 1 . GLU 111 111 15488 1 . VAL 112 112 15488 1 . ASN 113 113 15488 1 . ALA 114 114 15488 1 . VAL 115 115 15488 1 . VAL 116 116 15488 1 . LEU 117 117 15488 1 . LEU 118 118 15488 1 . TYR 119 119 15488 1 . MET 120 120 15488 1 . ALA 121 121 15488 1 . THR 122 122 15488 1 . GLN 123 123 15488 1 . ILE 124 124 15488 1 . SER 125 125 15488 1 . SER 126 126 15488 1 . ALA 127 127 15488 1 . MET 128 128 15488 1 . GLU 129 129 15488 1 . TYR 130 130 15488 1 . LEU 131 131 15488 1 . GLU 132 132 15488 1 . LYS 133 133 15488 1 . LYS 134 134 15488 1 . ASN 135 135 15488 1 . PHE 136 136 15488 1 . ILE 137 137 15488 1 . HIS 138 138 15488 1 . ARG 139 139 15488 1 . ASP 140 140 15488 1 . LEU 141 141 15488 1 . ALA 142 142 15488 1 . ALA 143 143 15488 1 . ARG 144 144 15488 1 . ASN 145 145 15488 1 . CYS 146 146 15488 1 . LEU 147 147 15488 1 . VAL 148 148 15488 1 . GLY 149 149 15488 1 . GLU 150 150 15488 1 . ASN 151 151 15488 1 . HIS 152 152 15488 1 . LEU 153 153 15488 1 . VAL 154 154 15488 1 . LYS 155 155 15488 1 . VAL 156 156 15488 1 . ALA 157 157 15488 1 . ASP 158 158 15488 1 . PHE 159 159 15488 1 . GLY 160 160 15488 1 . LEU 161 161 15488 1 . SER 162 162 15488 1 . ARG 163 163 15488 1 . LEU 164 164 15488 1 . MET 165 165 15488 1 . THR 166 166 15488 1 . GLY 167 167 15488 1 . ASP 168 168 15488 1 . THR 169 169 15488 1 . TYR 170 170 15488 1 . THR 171 171 15488 1 . ALA 172 172 15488 1 . HIS 173 173 15488 1 . ALA 174 174 15488 1 . GLY 175 175 15488 1 . ALA 176 176 15488 1 . LYS 177 177 15488 1 . PHE 178 178 15488 1 . PRO 179 179 15488 1 . ILE 180 180 15488 1 . LYS 181 181 15488 1 . TRP 182 182 15488 1 . THR 183 183 15488 1 . ALA 184 184 15488 1 . PRO 185 185 15488 1 . GLU 186 186 15488 1 . SER 187 187 15488 1 . LEU 188 188 15488 1 . ALA 189 189 15488 1 . TYR 190 190 15488 1 . ASN 191 191 15488 1 . LYS 192 192 15488 1 . PHE 193 193 15488 1 . SER 194 194 15488 1 . ILE 195 195 15488 1 . LYS 196 196 15488 1 . SER 197 197 15488 1 . ASP 198 198 15488 1 . VAL 199 199 15488 1 . TRP 200 200 15488 1 . ALA 201 201 15488 1 . PHE 202 202 15488 1 . GLY 203 203 15488 1 . VAL 204 204 15488 1 . LEU 205 205 15488 1 . LEU 206 206 15488 1 . TRP 207 207 15488 1 . GLU 208 208 15488 1 . ILE 209 209 15488 1 . ALA 210 210 15488 1 . THR 211 211 15488 1 . TYR 212 212 15488 1 . GLY 213 213 15488 1 . MET 214 214 15488 1 . SER 215 215 15488 1 . PRO 216 216 15488 1 . TYR 217 217 15488 1 . PRO 218 218 15488 1 . GLY 219 219 15488 1 . ILE 220 220 15488 1 . ASP 221 221 15488 1 . LEU 222 222 15488 1 . SER 223 223 15488 1 . GLN 224 224 15488 1 . VAL 225 225 15488 1 . TYR 226 226 15488 1 . GLU 227 227 15488 1 . LEU 228 228 15488 1 . LEU 229 229 15488 1 . GLU 230 230 15488 1 . LYS 231 231 15488 1 . ASP 232 232 15488 1 . TYR 233 233 15488 1 . ARG 234 234 15488 1 . MET 235 235 15488 1 . GLU 236 236 15488 1 . ARG 237 237 15488 1 . PRO 238 238 15488 1 . GLU 239 239 15488 1 . GLY 240 240 15488 1 . CYS 241 241 15488 1 . PRO 242 242 15488 1 . GLU 243 243 15488 1 . LYS 244 244 15488 1 . VAL 245 245 15488 1 . TYR 246 246 15488 1 . GLU 247 247 15488 1 . LEU 248 248 15488 1 . MET 249 249 15488 1 . ARG 250 250 15488 1 . ALA 251 251 15488 1 . CYS 252 252 15488 1 . TRP 253 253 15488 1 . GLN 254 254 15488 1 . TRP 255 255 15488 1 . ASN 256 256 15488 1 . PRO 257 257 15488 1 . SER 258 258 15488 1 . ASP 259 259 15488 1 . ARG 260 260 15488 1 . PRO 261 261 15488 1 . SER 262 262 15488 1 . PHE 263 263 15488 1 . ALA 264 264 15488 1 . GLU 265 265 15488 1 . ILE 266 266 15488 1 . HIS 267 267 15488 1 . GLN 268 268 15488 1 . ALA 269 269 15488 1 . PHE 270 270 15488 1 . GLU 271 271 15488 1 . THR 272 272 15488 1 . MET 273 273 15488 1 . PHE 274 274 15488 1 . GLN 275 275 15488 1 . GLU 276 276 15488 1 . SER 277 277 15488 1 stop_ save_ save_entity_STI _Entity.Sf_category entity _Entity.Sf_framecode entity_STI _Entity.Entry_ID 15488 _Entity.ID 2 _Entity.BMRB_code STI _Entity.Name 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID STI _Entity.Nonpolymer_comp_label $chem_comp_STI _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 493.603 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE BMRB 15488 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE BMRB 15488 2 STI 'Three letter code' 15488 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 STI $chem_comp_STI 15488 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 STI C1 15488 2 2 1 STI C11 15488 2 3 1 STI C12 15488 2 4 1 STI C14 15488 2 5 1 STI C15 15488 2 6 1 STI C16 15488 2 7 1 STI C17 15488 2 8 1 STI C18 15488 2 9 1 STI C19 15488 2 10 1 STI C2 15488 2 11 1 STI C20 15488 2 12 1 STI C22 15488 2 13 1 STI C23 15488 2 14 1 STI C25 15488 2 15 1 STI C26 15488 2 16 1 STI C27 15488 2 17 1 STI C28 15488 2 18 1 STI C29 15488 2 19 1 STI C4 15488 2 20 1 STI C46 15488 2 21 1 STI C49 15488 2 22 1 STI C5 15488 2 23 1 STI C50 15488 2 24 1 STI C52 15488 2 25 1 STI C53 15488 2 26 1 STI C54 15488 2 27 1 STI C6 15488 2 28 1 STI C7 15488 2 29 1 STI C9 15488 2 30 1 STI H11 15488 2 31 1 STI H111 15488 2 32 1 STI H121 15488 2 33 1 STI H131 15488 2 34 1 STI H151 15488 2 35 1 STI H171 15488 2 36 1 STI H181 15488 2 37 1 STI H201 15488 2 38 1 STI H202 15488 2 39 1 STI H203 15488 2 40 1 STI H21 15488 2 41 1 STI H211 15488 2 42 1 STI H251 15488 2 43 1 STI H261 15488 2 44 1 STI H281 15488 2 45 1 STI H291 15488 2 46 1 STI H41 15488 2 47 1 STI H461 15488 2 48 1 STI H462 15488 2 49 1 STI H491 15488 2 50 1 STI H492 15488 2 51 1 STI H501 15488 2 52 1 STI H502 15488 2 53 1 STI H521 15488 2 54 1 STI H522 15488 2 55 1 STI H531 15488 2 56 1 STI H532 15488 2 57 1 STI H541 15488 2 58 1 STI H542 15488 2 59 1 STI H543 15488 2 60 1 STI H61 15488 2 61 1 STI N10 15488 2 62 1 STI N13 15488 2 63 1 STI N21 15488 2 64 1 STI N3 15488 2 65 1 STI N48 15488 2 66 1 STI N51 15488 2 67 1 STI N8 15488 2 68 1 STI O29 15488 2 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 15488 _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 $ABL_kinase_domain_GAMDP-S229-S500 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . BCR-ABL . 'Fusion protein, present in patients suffering from Leukemia.' . . 15488 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 15488 _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 $ABL_kinase_domain_GAMDP-S229-S500 . 'recombinant technology' 'Baculovirus-infected insect cells' . . . . . . . . . . . . . . . . . . baculovirus . . Sf9 . . . . . . 15488 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_STI _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_STI _Chem_comp.Entry_ID 15488 _Chem_comp.ID STI _Chem_comp.Provenance PDB _Chem_comp.Name 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code STI _Chem_comp.PDB_code STI _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code STI _Chem_comp.Number_atoms_all 68 _Chem_comp.Number_atoms_nh 37 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms STI-571;IMATINIB _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C29 H31 N7 O' _Chem_comp.Formula_weight 493.603 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1IEP _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C SMILES 'OpenEye OEToolkits' 1.5.0 15488 STI Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15488 STI CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3 SMILES CACTVS 3.341 15488 STI CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3 SMILES_CANONICAL CACTVS 3.341 15488 STI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) InChI InChI 1.03 15488 STI KTUFNOKKBVMGRW-UHFFFAOYSA-N InChIKey InChI 1.03 15488 STI O=C(Nc3ccc(c(Nc2nc(c1cccnc1)ccn2)c3)C)c4ccc(cc4)CN5CCN(CC5)C SMILES ACDLabs 10.04 15488 STI stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15488 STI 4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide 'SYSTEMATIC NAME' ACDLabs 10.04 15488 STI stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 yes no . . . . 16.356 . 100.406 . 50.614 . 2.740 -0.022 8.889 1 . 15488 STI C11 C11 C11 C11 . C . . N 0 . . . 1 yes no . . . . 11.704 . 99.172 . 54.114 . 1.308 1.042 3.088 9 . 15488 STI C12 C12 C12 C12 . C . . N 0 . . . 1 yes no . . . . 12.723 . 99.470 . 53.173 . 2.131 0.848 4.183 8 . 15488 STI C14 C14 C14 C14 . C . . N 0 . . . 1 yes no . . . . 12.302 . 100.109 . 58.246 . -2.541 -0.230 3.106 14 . 15488 STI C15 C15 C15 C15 . C . . N 0 . . . 1 yes no . . . . 12.424 . 98.921 . 59.032 . -1.955 -0.419 1.862 19 . 15488 STI C16 C16 C16 C16 . C . . N 0 . . . 1 yes no . . . . 11.456 . 98.610 . 60.086 . -2.728 -0.327 0.714 18 . 15488 STI C17 C17 C17 C17 . C . . N 0 . . . 1 yes no . . . . 10.386 . 99.520 . 60.309 . -4.087 -0.056 0.812 17 . 15488 STI C18 C18 C18 C18 . C . . N 0 . . . 1 yes no . . . . 10.251 . 100.722 . 59.524 . -4.669 0.126 2.052 16 . 15488 STI C19 C19 C19 C19 . C . . N 0 . . . 1 yes no . . . . 11.195 . 101.040 . 58.488 . -3.901 0.040 3.198 15 . 15488 STI C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 17.356 . 101.243 . 51.215 . 4.042 -0.436 8.674 6 . 15488 STI C20 C20 C20 C20 . C . . N 0 . . . 1 no no . . . . 10.986 . 102.351 . 57.694 . -4.539 0.240 4.548 37 . 15488 STI C22 C22 C22 C22 . C . . N 0 . . . 1 no no . . . . 12.446 . 96.415 . 60.910 . -2.547 0.228 -1.591 21 . 15488 STI C23 C23 C23 C23 . C . . N 0 . . . 1 yes no . . . . 12.472 . 95.442 . 62.042 . -1.994 -0.031 -2.937 22 . 15488 STI C25 C25 C25 C25 . C . . N 0 . . . 1 yes no . . . . 13.689 . 94.696 . 62.364 . -2.413 0.734 -4.027 23 . 15488 STI C26 C26 C26 C26 . C . . N 0 . . . 1 yes no . . . . 13.682 . 93.749 . 63.449 . -1.892 0.486 -5.280 24 . 15488 STI C27 C27 C27 C27 . C . . N 0 . . . 1 yes no . . . . 12.463 . 93.546 . 64.214 . -0.957 -0.517 -5.458 25 . 15488 STI C28 C28 C28 C28 . C . . N 0 . . . 1 yes no . . . . 11.274 . 94.301 . 63.879 . -0.542 -1.283 -4.384 26 . 15488 STI C29 C29 C29 C29 . C . . N 0 . . . 1 yes no . . . . 11.272 . 95.230 . 62.817 . -1.050 -1.042 -3.124 27 . 15488 STI C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 16.138 . 101.298 . 53.339 . 3.755 -0.413 6.387 4 . 15488 STI C46 C46 C46 C46 . C . . N 0 . . . 1 no no . . . . 12.371 . 92.542 . 65.368 . -0.393 -0.781 -6.830 28 . 15488 STI C49 C49 C49 C49 . C . . N 0 . . . 1 no no . . . . 11.273 . 90.652 . 66.574 . 1.817 -0.452 -6.085 35 . 15488 STI C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 15.089 . 100.453 . 52.798 . 2.435 0.009 6.520 3 . 15488 STI C50 C50 C50 C50 . C . . N 0 . . . 1 no no . . . . 10.070 . 89.659 . 66.572 . 3.141 0.276 -6.321 34 . 15488 STI C52 C52 C52 C52 . C . . N 0 . . . 1 no no . . . . 10.031 . 89.776 . 64.067 . 2.629 0.463 -8.615 31 . 15488 STI C53 C53 C53 C53 . C . . N 0 . . . 1 no no . . . . 11.214 . 90.778 . 64.093 . 1.306 -0.264 -8.379 30 . 15488 STI C54 C54 C54 C54 . C . . N 0 . . . 1 no no . . . . 8.985 . 87.875 . 65.306 . 4.840 0.792 -7.870 33 . 15488 STI C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 15.218 . 100.012 . 51.414 . 1.914 0.207 7.802 2 . 15488 STI C7 C7 C7 C7 . C . . N 0 . . . 1 yes no . . . . 13.928 . 100.078 . 53.673 . 1.593 0.241 5.321 7 . 15488 STI C9 C9 C9 C9 . C . . N 0 . . . 1 yes no . . . . 13.053 . 100.050 . 55.907 . -0.438 0.077 4.242 11 . 15488 STI H11 H11 H11 1H1 . H . . N 0 . . . 1 no no . . . . 16.459 . 100.074 . 49.566 . 2.371 0.120 9.894 38 . 15488 STI H111 H111 H111 1H11 . H . . N 0 . . . 0 no no . . . . 10.756 . 98.704 . 53.796 . 1.692 1.508 2.193 43 . 15488 STI H121 H121 H121 1H12 . H . . N 0 . . . 0 no no . . . . 12.584 . 99.239 . 52.103 . 3.166 1.157 4.159 42 . 15488 STI H131 H131 H131 1H13 . H . . N 0 . . . 0 no no . . . . 13.506 . 101.351 . 57.305 . -2.157 -0.654 5.087 44 . 15488 STI H151 H151 H151 1H15 . H . . N 0 . . . 0 no no . . . . 13.268 . 98.241 . 58.824 . -0.899 -0.630 1.788 47 . 15488 STI H171 H171 H171 1H17 . H . . N 0 . . . 0 no no . . . . 9.652 . 99.290 . 61.100 . -4.690 0.011 -0.080 46 . 15488 STI H181 H181 H181 1H18 . H . . N 0 . . . 0 no no . . . . 9.411 . 101.410 . 59.719 . -5.725 0.336 2.126 45 . 15488 STI H201 H201 H201 1H20 . H . . N 0 . . . 0 no no . . . . 10.144 . 103.058 . 57.878 . -4.890 -0.718 4.930 66 . 15488 STI H202 H202 H202 2H20 . H . . N 0 . . . 0 no no . . . . 11.931 . 102.936 . 57.771 . -3.807 0.661 5.237 67 . 15488 STI H203 H203 H203 3H20 . H . . N 0 . . . 0 no no . . . . 10.957 . 102.079 . 56.612 . -5.383 0.924 4.453 68 . 15488 STI H21 H21 H21 1H2 . H . . N 0 . . . 1 no no . . . . 18.243 . 101.570 . 50.647 . 4.689 -0.616 9.519 41 . 15488 STI H211 H211 H211 1H21 . H . . N 0 . . . 0 no no . . . . 10.792 . 97.308 . 61.630 . -1.440 -1.173 -0.656 48 . 15488 STI H251 H251 H251 1H25 . H . . N 0 . . . 0 no no . . . . 14.616 . 94.848 . 61.786 . -3.142 1.518 -3.889 49 . 15488 STI H261 H261 H261 1H26 . H . . N 0 . . . 0 no no . . . . 14.599 . 93.186 . 63.691 . -2.216 1.077 -6.124 50 . 15488 STI H281 H281 H281 1H28 . H . . N 0 . . . 0 no no . . . . 10.340 . 94.164 . 64.450 . 0.187 -2.065 -4.530 51 . 15488 STI H291 H291 H291 1H29 . H . . N 0 . . . 0 no no . . . . 10.344 . 95.783 . 62.595 . -0.722 -1.638 -2.285 52 . 15488 STI H41 H41 H41 1H4 . H . . N 0 . . . 1 no no . . . . 16.112 . 101.672 . 54.376 . 4.171 -0.570 5.403 40 . 15488 STI H461 H461 H461 1H46 . H . . N 0 . . . 0 no no . . . . 13.328 . 91.975 . 65.438 . -1.137 -0.526 -7.585 53 . 15488 STI H462 H462 H462 2H46 . H . . N 0 . . . 0 no no . . . . 12.381 . 93.094 . 66.336 . -0.132 -1.836 -6.919 54 . 15488 STI H491 H491 H491 1H49 . H . . N 0 . . . 0 no no . . . . 12.247 . 90.113 . 66.642 . 1.478 -0.267 -5.065 64 . 15488 STI H492 H492 H492 2H49 . H . . N 0 . . . 0 no no . . . . 11.327 . 91.226 . 67.527 . 1.961 -1.522 -6.230 65 . 15488 STI H501 H501 H501 1H50 . H . . N 0 . . . 0 no no . . . . 9.096 . 90.174 . 66.741 . 3.872 -0.052 -5.582 62 . 15488 STI H502 H502 H502 2H50 . H . . N 0 . . . 0 no no . . . . 10.061 . 89.004 . 67.474 . 2.986 1.350 -6.225 63 . 15488 STI H521 H521 H521 1H52 . H . . N 0 . . . 0 no no . . . . 9.048 . 90.297 . 63.982 . 2.486 1.533 -8.470 57 . 15488 STI H522 H522 H522 2H52 . H . . N 0 . . . 0 no no . . . . 9.996 . 89.200 . 63.112 . 2.968 0.278 -9.635 58 . 15488 STI H531 H531 H531 1H53 . H . . N 0 . . . 0 no no . . . . 11.208 . 91.438 . 63.194 . 0.574 0.063 -9.118 55 . 15488 STI H532 H532 H532 2H53 . H . . N 0 . . . 0 no no . . . . 12.188 . 90.263 . 63.923 . 1.460 -1.339 -8.475 56 . 15488 STI H541 H541 H541 1H54 . H . . N 0 . . . 0 no no . . . . 9.021 . 87.201 . 66.194 . 5.623 0.464 -7.185 59 . 15488 STI H542 H542 H542 2H54 . H . . N 0 . . . 0 no no . . . . 7.994 . 88.382 . 65.233 . 5.187 0.682 -8.897 60 . 15488 STI H543 H543 H543 3H54 . H . . N 0 . . . 0 no no . . . . 8.957 . 87.284 . 64.360 . 4.603 1.838 -7.676 61 . 15488 STI H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . 14.441 . 99.369 . 50.964 . 0.893 0.532 7.941 39 . 15488 STI N10 N10 N10 N10 . N . . N 0 . . . 1 yes no . . . . 11.881 . 99.464 . 55.456 . 0.045 0.651 3.150 10 . 15488 STI N13 N13 N13 N13 . N . . N 0 . . . 1 no no . . . . 13.263 . 100.362 . 57.253 . -1.765 -0.317 4.266 13 . 15488 STI N21 N21 N21 N21 . N . . N 0 . . . 1 no no . . . . 11.516 . 97.436 . 60.923 . -2.140 -0.512 -0.541 20 . 15488 STI N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 17.220 . 101.660 . 52.543 . 4.505 -0.614 7.452 5 . 15488 STI N48 N48 N48 N48 . N . . N 0 . . . 1 no no . . . . 11.230 . 91.579 . 65.364 . 0.809 0.038 -7.032 29 . 15488 STI N51 N51 N51 N51 . N . . N 0 . . . 1 no no . . . . 10.081 . 88.858 . 65.278 . 3.638 -0.027 -7.668 32 . 15488 STI N8 N8 N8 N8 . N . . N 0 . . . 1 yes no . . . . 14.046 . 100.345 . 55.023 . 0.313 -0.122 5.314 12 . 15488 STI O29 O29 O29 O29 . O . . N 0 . . . 1 no no . . . . 13.258 . 96.231 . 60.024 . -3.368 1.110 -1.431 36 . 15488 STI stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 C6 yes N 1 . 15488 STI 2 . SING C1 C2 yes N 2 . 15488 STI 3 . SING C1 H11 no N 3 . 15488 STI 4 . SING C6 C5 yes N 4 . 15488 STI 5 . SING C6 H61 no N 5 . 15488 STI 6 . DOUB C5 C4 yes N 6 . 15488 STI 7 . SING C5 C7 yes N 7 . 15488 STI 8 . SING C4 N3 yes N 8 . 15488 STI 9 . SING C4 H41 no N 9 . 15488 STI 10 . DOUB N3 C2 yes N 10 . 15488 STI 11 . SING C2 H21 no N 11 . 15488 STI 12 . DOUB C7 C12 yes N 12 . 15488 STI 13 . SING C7 N8 yes N 13 . 15488 STI 14 . SING C12 C11 yes N 14 . 15488 STI 15 . SING C12 H121 no N 15 . 15488 STI 16 . DOUB C11 N10 yes N 16 . 15488 STI 17 . SING C11 H111 no N 17 . 15488 STI 18 . SING N10 C9 yes N 18 . 15488 STI 19 . DOUB C9 N8 yes N 19 . 15488 STI 20 . SING C9 N13 no N 20 . 15488 STI 21 . SING N13 C14 no N 21 . 15488 STI 22 . SING N13 H131 no N 22 . 15488 STI 23 . DOUB C14 C19 yes N 23 . 15488 STI 24 . SING C14 C15 yes N 24 . 15488 STI 25 . SING C19 C18 yes N 25 . 15488 STI 26 . SING C19 C20 no N 26 . 15488 STI 27 . DOUB C18 C17 yes N 27 . 15488 STI 28 . SING C18 H181 no N 28 . 15488 STI 29 . SING C17 C16 yes N 29 . 15488 STI 30 . SING C17 H171 no N 30 . 15488 STI 31 . DOUB C16 C15 yes N 31 . 15488 STI 32 . SING C16 N21 no N 32 . 15488 STI 33 . SING C15 H151 no N 33 . 15488 STI 34 . SING N21 C22 no N 34 . 15488 STI 35 . SING N21 H211 no N 35 . 15488 STI 36 . SING C22 C23 no N 36 . 15488 STI 37 . DOUB C22 O29 no N 37 . 15488 STI 38 . DOUB C23 C25 yes N 38 . 15488 STI 39 . SING C23 C29 yes N 39 . 15488 STI 40 . SING C25 C26 yes N 40 . 15488 STI 41 . SING C25 H251 no N 41 . 15488 STI 42 . DOUB C26 C27 yes N 42 . 15488 STI 43 . SING C26 H261 no N 43 . 15488 STI 44 . SING C27 C28 yes N 44 . 15488 STI 45 . SING C27 C46 no N 45 . 15488 STI 46 . DOUB C28 C29 yes N 46 . 15488 STI 47 . SING C28 H281 no N 47 . 15488 STI 48 . SING C29 H291 no N 48 . 15488 STI 49 . SING C46 N48 no N 49 . 15488 STI 50 . SING C46 H461 no N 50 . 15488 STI 51 . SING C46 H462 no N 51 . 15488 STI 52 . SING N48 C53 no N 52 . 15488 STI 53 . SING N48 C49 no N 53 . 15488 STI 54 . SING C53 C52 no N 54 . 15488 STI 55 . SING C53 H531 no N 55 . 15488 STI 56 . SING C53 H532 no N 56 . 15488 STI 57 . SING C52 N51 no N 57 . 15488 STI 58 . SING C52 H521 no N 58 . 15488 STI 59 . SING C52 H522 no N 59 . 15488 STI 60 . SING N51 C54 no N 60 . 15488 STI 61 . SING N51 C50 no N 61 . 15488 STI 62 . SING C54 H541 no N 62 . 15488 STI 63 . SING C54 H542 no N 63 . 15488 STI 64 . SING C54 H543 no N 64 . 15488 STI 65 . SING C50 C49 no N 65 . 15488 STI 66 . SING C50 H501 no N 66 . 15488 STI 67 . SING C50 H502 no N 67 . 15488 STI 68 . SING C49 H491 no N 68 . 15488 STI 69 . SING C49 H492 no N 69 . 15488 STI 70 . SING C20 H201 no N 70 . 15488 STI 71 . SING C20 H202 no N 71 . 15488 STI 72 . SING C20 H203 no N 72 . 15488 STI stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15488 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'ABL kinase domain GAMDP-S229-S500' '[U-100% 13C; U-100% 15N]' . . 1 $ABL_kinase_domain_GAMDP-S229-S500 . . 0.45 . . mM . . . . 15488 1 2 BisTris 'natural abundance' . . . . . . 20 . . mM . . . . 15488 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15488 1 4 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 15488 1 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 15488 1 6 Imatinib 'natural abundance' . . 2 $entity_STI . . 0.45 . . mM . . . . 15488 1 7 TCEP 'natural abundance' . . . . . . 3 . . mM . . . . 15488 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15488 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Identical conditions were used in the preparation of selectively labeled ABL-imatinib samples.Following 15N labeled samples were produced: Ala, Gly, Ile, Leu, Met, Phe, Thr, Trp , Tyr , Val to overcome ambiguity.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'ABL kinase domain GAMDP-S229-S500' '[U-100% 15N]' . . 1 $ABL_kinase_domain_GAMDP-S229-S500 . . 0.45 . . mM . . . . 15488 2 2 BisTris 'natural abundance' . . . . . . 20 . . mM . . . . 15488 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15488 2 4 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 15488 2 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 15488 2 6 TCEP 'natural abundance' . . . . . . 3 . . mM . . . . 15488 2 7 Imatinib 'natural abundance' . . 2 $entity_STI . . 0.45 . . mM . . . . 15488 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15488 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Both Uniformly 13C,15N and uniformly 15N labeled samples are prepared at the same conditions' 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 temperature 295.5 2.5 K 15488 1 pH 6.5 0.1 pH 15488 1 pressure 1 . atm 15488 1 'ionic strength' 100 . mM 15488 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15488 _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' . . 15488 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15488 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15488 _Software.ID 2 _Software.Name NMRView _Software.Version 5.2.2_01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15488 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15488 2 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 15488 _Software.ID 3 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 15488 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15488 3 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 15488 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; Equipped with TCI cryoprobe triple resonance, tripe-axis pulsed field gradient probes ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15488 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equipped with triple resonance, tripe-axis pulsed field gradient probes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15488 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15488 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 15488 _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 Bruker DRX . 800 ; Equipped with TCI cryoprobe triple resonance, tripe-axis pulsed field gradient probes ; . . 15488 1 2 spectrometer_2 Bruker DRX . 600 'Equipped with triple resonance, tripe-axis pulsed field gradient probes' . . 15488 1 3 spectrometer_3 Varian UnityPlus . 600 . . . 15488 1 4 spectrometer_4 Bruker Avance . 600 . . . 15488 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 15488 _Experiment_list.ID 1 _Experiment_list.Details '1H-15N HSQC of 15N-selectively labeled samples were recorded under the same sample conditions on spectrometer_3 or spectrometer_4. All the 3D experiments were recorded under the non-TROSY conditions.' 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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15488 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15488 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15488 1 4 '3D 15N-edited 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15488 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15488 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15488 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 15488 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '1H, 15N and 13C are referenced relative to the frequency of the 2H lock resonance of water' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.773 internal direct 1 other . parallel . . . . . . 15488 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.2514495 other . parallel . . . . . . 15488 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 other . parallel . . . . . . 15488 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 15488 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.04 _Assigned_chem_shift_list.Chem_shift_15N_err 0.04 _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 '3D HNCO' . . . 15488 1 3 '3D HN(CO)CA' . . . 15488 1 2 '3D HNCA' . . . 15488 1 4 '3D 15N-edited 1H-1H NOESY' . . . 15488 1 6 '2D 1H-15N HSQC' . . . 15488 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 GLY C C 13 179.98 0.040 . 1 . . . . 224 GLY C . 15488 1 2 . 1 1 1 1 GLY CA C 13 43.48 0.040 . 1 . . . . 224 GLY CA . 15488 1 3 . 1 1 2 2 ALA H H 1 8.65 0.005 . 1 . . . . 225 ALA H . 15488 1 4 . 1 1 2 2 ALA C C 13 177.88 0.040 . 1 . . . . 225 ALA C . 15488 1 5 . 1 1 2 2 ALA CA C 13 53.34 0.040 . 1 . . . . 225 ALA CA . 15488 1 6 . 1 1 2 2 ALA N N 15 123.26 0.040 . 1 . . . . 225 ALA N . 15488 1 7 . 1 1 3 3 MET H H 1 8.47 0.005 . 1 . . . . 226 MET H . 15488 1 8 . 1 1 3 3 MET C C 13 175.72 0.040 . 1 . . . . 226 MET C . 15488 1 9 . 1 1 3 3 MET CA C 13 55.09 0.040 . 1 . . . . 226 MET CA . 15488 1 10 . 1 1 3 3 MET N N 15 117.66 0.040 . 1 . . . . 226 MET N . 15488 1 11 . 1 1 4 4 ASP H H 1 8.07 0.005 . 1 . . . . 227 ASP H . 15488 1 12 . 1 1 4 4 ASP CA C 13 52.78 0.040 . 1 . . . . 227 ASP CA . 15488 1 13 . 1 1 4 4 ASP N N 15 122.57 0.040 . 1 . . . . 227 ASP N . 15488 1 14 . 1 1 5 5 PRO C C 13 176.76 0.040 . 1 . . . . 228 PRO C . 15488 1 15 . 1 1 5 5 PRO CA C 13 63.17 0.040 . 1 . . . . 228 PRO CA . 15488 1 16 . 1 1 6 6 SER H H 1 8.39 0.005 . 1 . . . . 229 SER H . 15488 1 17 . 1 1 6 6 SER CA C 13 56.55 0.040 . 1 . . . . 229 SER CA . 15488 1 18 . 1 1 6 6 SER N N 15 117.15 0.040 . 1 . . . . 229 SER N . 15488 1 19 . 1 1 7 7 PRO C C 13 176.43 0.040 . 1 . . . . 230 PRO C . 15488 1 20 . 1 1 7 7 PRO CA C 13 63.44 0.040 . 1 . . . . 230 PRO CA . 15488 1 21 . 1 1 8 8 ASN H H 1 8.29 0.005 . 1 . . . . 231 ASN H . 15488 1 22 . 1 1 8 8 ASN C C 13 174.56 0.040 . 1 . . . . 231 ASN C . 15488 1 23 . 1 1 8 8 ASN CA C 13 53.16 0.040 . 1 . . . . 231 ASN CA . 15488 1 24 . 1 1 8 8 ASN N N 15 117.94 0.040 . 1 . . . . 231 ASN N . 15488 1 25 . 1 1 9 9 TYR H H 1 7.99 0.005 . 1 . . . . 232 TYR H . 15488 1 26 . 1 1 9 9 TYR C C 13 174.99 0.040 . 1 . . . . 232 TYR C . 15488 1 27 . 1 1 9 9 TYR CA C 13 58.06 0.040 . 1 . . . . 232 TYR CA . 15488 1 28 . 1 1 9 9 TYR N N 15 120.55 0.040 . 1 . . . . 232 TYR N . 15488 1 29 . 1 1 10 10 ASP H H 1 8.17 0.005 . 1 . . . . 233 ASP H . 15488 1 30 . 1 1 10 10 ASP C C 13 177.05 0.040 . 1 . . . . 233 ASP C . 15488 1 31 . 1 1 10 10 ASP CA C 13 53.41 0.040 . 1 . . . . 233 ASP CA . 15488 1 32 . 1 1 10 10 ASP N N 15 122.94 0.040 . 1 . . . . 233 ASP N . 15488 1 33 . 1 1 11 11 LYS H H 1 8.21 0.005 . 1 . . . . 234 LYS H . 15488 1 34 . 1 1 11 11 LYS C C 13 176.47 0.040 . 1 . . . . 234 LYS C . 15488 1 35 . 1 1 11 11 LYS CA C 13 57.65 0.040 . 1 . . . . 234 LYS CA . 15488 1 36 . 1 1 11 11 LYS N N 15 119.96 0.040 . 1 . . . . 234 LYS N . 15488 1 37 . 1 1 12 12 TRP H H 1 8.12 0.005 . 1 . . . . 235 TRP H . 15488 1 38 . 1 1 12 12 TRP C C 13 176.56 0.040 . 1 . . . . 235 TRP C . 15488 1 39 . 1 1 12 12 TRP CA C 13 57.84 0.040 . 1 . . . . 235 TRP CA . 15488 1 40 . 1 1 12 12 TRP N N 15 118.82 0.040 . 1 . . . . 235 TRP N . 15488 1 41 . 1 1 13 13 GLU H H 1 7.38 0.005 . 1 . . . . 236 GLU H . 15488 1 42 . 1 1 13 13 GLU C C 13 176.68 0.040 . 1 . . . . 236 GLU C . 15488 1 43 . 1 1 13 13 GLU CA C 13 56.62 0.040 . 1 . . . . 236 GLU CA . 15488 1 44 . 1 1 13 13 GLU N N 15 119.39 0.040 . 1 . . . . 236 GLU N . 15488 1 45 . 1 1 14 14 MET H H 1 9.09 0.005 . 1 . . . . 237 MET H . 15488 1 46 . 1 1 14 14 MET C C 13 175.60 0.040 . 1 . . . . 237 MET C . 15488 1 47 . 1 1 14 14 MET CA C 13 54.68 0.040 . 1 . . . . 237 MET CA . 15488 1 48 . 1 1 14 14 MET N N 15 127.01 0.040 . 1 . . . . 237 MET N . 15488 1 49 . 1 1 15 15 GLU H H 1 8.64 0.005 . 1 . . . . 238 GLU H . 15488 1 50 . 1 1 15 15 GLU C C 13 177.86 0.040 . 1 . . . . 238 GLU C . 15488 1 51 . 1 1 15 15 GLU CA C 13 55.44 0.040 . 1 . . . . 238 GLU CA . 15488 1 52 . 1 1 15 15 GLU N N 15 121.95 0.040 . 1 . . . . 238 GLU N . 15488 1 53 . 1 1 16 16 ARG H H 1 8.99 0.005 . 1 . . . . 239 ARG H . 15488 1 54 . 1 1 16 16 ARG C C 13 178.45 0.040 . 1 . . . . 239 ARG C . 15488 1 55 . 1 1 16 16 ARG CA C 13 59.88 0.040 . 1 . . . . 239 ARG CA . 15488 1 56 . 1 1 16 16 ARG N N 15 126.79 0.040 . 1 . . . . 239 ARG N . 15488 1 57 . 1 1 17 17 THR H H 1 7.73 0.005 . 1 . . . . 240 THR H . 15488 1 58 . 1 1 17 17 THR C C 13 175.15 0.040 . 1 . . . . 240 THR C . 15488 1 59 . 1 1 17 17 THR CA C 13 63.05 0.040 . 1 . . . . 240 THR CA . 15488 1 60 . 1 1 17 17 THR N N 15 105.65 0.040 . 1 . . . . 240 THR N . 15488 1 61 . 1 1 18 18 ASP H H 1 7.97 0.005 . 1 . . . . 241 ASP H . 15488 1 62 . 1 1 18 18 ASP C C 13 175.52 0.040 . 1 . . . . 241 ASP C . 15488 1 63 . 1 1 18 18 ASP CA C 13 55.57 0.040 . 1 . . . . 241 ASP CA . 15488 1 64 . 1 1 18 18 ASP N N 15 120.59 0.040 . 1 . . . . 241 ASP N . 15488 1 65 . 1 1 19 19 ILE H H 1 7.58 0.005 . 1 . . . . 242 ILE H . 15488 1 66 . 1 1 19 19 ILE C C 13 175.82 0.040 . 1 . . . . 242 ILE C . 15488 1 67 . 1 1 19 19 ILE CA C 13 58.17 0.040 . 1 . . . . 242 ILE CA . 15488 1 68 . 1 1 19 19 ILE N N 15 119.41 0.040 . 1 . . . . 242 ILE N . 15488 1 69 . 1 1 20 20 THR H H 1 9.01 0.005 . 1 . . . . 243 THR H . 15488 1 70 . 1 1 20 20 THR C C 13 173.96 0.040 . 1 . . . . 243 THR C . 15488 1 71 . 1 1 20 20 THR CA C 13 61.45 0.040 . 1 . . . . 243 THR CA . 15488 1 72 . 1 1 20 20 THR N N 15 123.63 0.040 . 1 . . . . 243 THR N . 15488 1 73 . 1 1 21 21 MET H H 1 8.87 0.005 . 1 . . . . 244 MET H . 15488 1 74 . 1 1 21 21 MET C C 13 176.24 0.040 . 1 . . . . 244 MET C . 15488 1 75 . 1 1 21 21 MET CA C 13 55.19 0.040 . 1 . . . . 244 MET CA . 15488 1 76 . 1 1 21 21 MET N N 15 126.71 0.040 . 1 . . . . 244 MET N . 15488 1 77 . 1 1 22 22 LYS H H 1 8.84 0.005 . 1 . . . . 245 LYS H . 15488 1 78 . 1 1 22 22 LYS C C 13 175.03 0.040 . 1 . . . . 245 LYS C . 15488 1 79 . 1 1 22 22 LYS CA C 13 56.10 0.040 . 1 . . . . 245 LYS CA . 15488 1 80 . 1 1 22 22 LYS N N 15 123.72 0.040 . 1 . . . . 245 LYS N . 15488 1 81 . 1 1 23 23 HIS H H 1 7.37 0.005 . 1 . . . . 246 HIS H . 15488 1 82 . 1 1 23 23 HIS C C 13 174.42 0.040 . 1 . . . . 246 HIS C . 15488 1 83 . 1 1 23 23 HIS CA C 13 55.04 0.040 . 1 . . . . 246 HIS CA . 15488 1 84 . 1 1 23 23 HIS N N 15 113.62 0.040 . 1 . . . . 246 HIS N . 15488 1 85 . 1 1 24 24 LYS H H 1 8.87 0.005 . 1 . . . . 247 LYS H . 15488 1 86 . 1 1 24 24 LYS C C 13 177.30 0.040 . 1 . . . . 247 LYS C . 15488 1 87 . 1 1 24 24 LYS CA C 13 57.84 0.040 . 1 . . . . 247 LYS CA . 15488 1 88 . 1 1 24 24 LYS N N 15 121.94 0.040 . 1 . . . . 247 LYS N . 15488 1 89 . 1 1 25 25 LEU H H 1 9.09 0.005 . 1 . . . . 248 LEU H . 15488 1 90 . 1 1 25 25 LEU C C 13 179.37 0.040 . 1 . . . . 248 LEU C . 15488 1 91 . 1 1 25 25 LEU CA C 13 55.48 0.040 . 1 . . . . 248 LEU CA . 15488 1 92 . 1 1 25 25 LEU N N 15 127.44 0.040 . 1 . . . . 248 LEU N . 15488 1 93 . 1 1 26 26 GLY H H 1 9.48 0.005 . 1 . . . . 249 GLY H . 15488 1 94 . 1 1 26 26 GLY C C 13 176.38 0.040 . 1 . . . . 249 GLY C . 15488 1 95 . 1 1 26 26 GLY CA C 13 47.58 0.040 . 1 . . . . 249 GLY CA . 15488 1 96 . 1 1 26 26 GLY N N 15 112.07 0.040 . 1 . . . . 249 GLY N . 15488 1 97 . 1 1 27 27 GLY H H 1 8.64 0.005 . 1 . . . . 250 GLY H . 15488 1 98 . 1 1 27 27 GLY C C 13 174.79 0.040 . 1 . . . . 250 GLY C . 15488 1 99 . 1 1 27 27 GLY CA C 13 46.60 0.040 . 1 . . . . 250 GLY CA . 15488 1 100 . 1 1 27 27 GLY N N 15 107.77 0.040 . 1 . . . . 250 GLY N . 15488 1 101 . 1 1 28 28 GLY H H 1 7.55 0.005 . 1 . . . . 251 GLY H . 15488 1 102 . 1 1 28 28 GLY C C 13 177.06 0.040 . 1 . . . . 251 GLY C . 15488 1 103 . 1 1 28 28 GLY CA C 13 45.65 0.040 . 1 . . . . 251 GLY CA . 15488 1 104 . 1 1 28 28 GLY N N 15 103.76 0.040 . 1 . . . . 251 GLY N . 15488 1 105 . 1 1 29 29 GLN H H 1 7.52 0.005 . 1 . . . . 252 GLN H . 15488 1 106 . 1 1 29 29 GLN C C 13 174.49 0.040 . 1 . . . . 252 GLN C . 15488 1 107 . 1 1 29 29 GLN CA C 13 58.04 0.040 . 1 . . . . 252 GLN CA . 15488 1 108 . 1 1 29 29 GLN N N 15 119.35 0.040 . 1 . . . . 252 GLN N . 15488 1 109 . 1 1 30 30 TYR H H 1 8.24 0.005 . 1 . . . . 253 TYR H . 15488 1 110 . 1 1 30 30 TYR C C 13 175.23 0.040 . 1 . . . . 253 TYR C . 15488 1 111 . 1 1 30 30 TYR CA C 13 56.36 0.040 . 1 . . . . 253 TYR CA . 15488 1 112 . 1 1 30 30 TYR N N 15 114.53 0.040 . 1 . . . . 253 TYR N . 15488 1 113 . 1 1 31 31 GLY H H 1 7.67 0.005 . 1 . . . . 254 GLY H . 15488 1 114 . 1 1 31 31 GLY C C 13 176.09 0.040 . 1 . . . . 254 GLY C . 15488 1 115 . 1 1 31 31 GLY CA C 13 45.55 0.040 . 1 . . . . 254 GLY CA . 15488 1 116 . 1 1 31 31 GLY N N 15 107.15 0.040 . 1 . . . . 254 GLY N . 15488 1 117 . 1 1 32 32 GLU H H 1 9.04 0.005 . 1 . . . . 255 GLU H . 15488 1 118 . 1 1 32 32 GLU C C 13 174.12 0.040 . 1 . . . . 255 GLU C . 15488 1 119 . 1 1 32 32 GLU CA C 13 55.06 0.040 . 1 . . . . 255 GLU CA . 15488 1 120 . 1 1 32 32 GLU N N 15 128.50 0.040 . 1 . . . . 255 GLU N . 15488 1 121 . 1 1 33 33 VAL H H 1 7.62 0.005 . 1 . . . . 256 VAL H . 15488 1 122 . 1 1 33 33 VAL C C 13 174.43 0.040 . 1 . . . . 256 VAL C . 15488 1 123 . 1 1 33 33 VAL CA C 13 60.51 0.040 . 1 . . . . 256 VAL CA . 15488 1 124 . 1 1 33 33 VAL N N 15 121.08 0.040 . 1 . . . . 256 VAL N . 15488 1 125 . 1 1 34 34 TYR H H 1 9.41 0.005 . 1 . . . . 257 TYR H . 15488 1 126 . 1 1 34 34 TYR C C 13 175.24 0.040 . 1 . . . . 257 TYR C . 15488 1 127 . 1 1 34 34 TYR CA C 13 56.98 0.040 . 1 . . . . 257 TYR CA . 15488 1 128 . 1 1 34 34 TYR N N 15 125.98 0.040 . 1 . . . . 257 TYR N . 15488 1 129 . 1 1 35 35 GLU H H 1 8.39 0.005 . 1 . . . . 258 GLU H . 15488 1 130 . 1 1 35 35 GLU C C 13 174.66 0.040 . 1 . . . . 258 GLU C . 15488 1 131 . 1 1 35 35 GLU CA C 13 56.20 0.040 . 1 . . . . 258 GLU CA . 15488 1 132 . 1 1 35 35 GLU N N 15 122.15 0.040 . 1 . . . . 258 GLU N . 15488 1 133 . 1 1 36 36 GLY H H 1 8.78 0.005 . 1 . . . . 259 GLY H . 15488 1 134 . 1 1 36 36 GLY C C 13 172.185 0.040 . 1 . . . . 259 GLY C . 15488 1 135 . 1 1 36 36 GLY CA C 13 44.11 0.040 . 1 . . . . 259 GLY CA . 15488 1 136 . 1 1 36 36 GLY N N 15 113.21 0.040 . 1 . . . . 259 GLY N . 15488 1 137 . 1 1 37 37 VAL H H 1 8.67 0.005 . 1 . . . . 260 VAL H . 15488 1 138 . 1 1 37 37 VAL C C 13 175.28 0.040 . 1 . . . . 260 VAL C . 15488 1 139 . 1 1 37 37 VAL CA C 13 60.85 0.040 . 1 . . . . 260 VAL CA . 15488 1 140 . 1 1 37 37 VAL N N 15 117.38 0.040 . 1 . . . . 260 VAL N . 15488 1 141 . 1 1 38 38 TRP H H 1 9.68 0.005 . 1 . . . . 261 TRP H . 15488 1 142 . 1 1 38 38 TRP C C 13 177.12 0.040 . 1 . . . . 261 TRP C . 15488 1 143 . 1 1 38 38 TRP CA C 13 53.72 0.040 . 1 . . . . 261 TRP CA . 15488 1 144 . 1 1 38 38 TRP N N 15 129.29 0.040 . 1 . . . . 261 TRP N . 15488 1 145 . 1 1 39 39 LYS H H 1 8.86 0.005 . 1 . . . . 262 LYS H . 15488 1 146 . 1 1 39 39 LYS C C 13 178.50 0.040 . 1 . . . . 262 LYS C . 15488 1 147 . 1 1 39 39 LYS CA C 13 60.76 0.040 . 1 . . . . 262 LYS CA . 15488 1 148 . 1 1 39 39 LYS N N 15 128.64 0.040 . 1 . . . . 262 LYS N . 15488 1 149 . 1 1 40 40 LYS H H 1 7.84 0.005 . 1 . . . . 263 LYS H . 15488 1 150 . 1 1 40 40 LYS C C 13 175.72 0.040 . 1 . . . . 263 LYS C . 15488 1 151 . 1 1 40 40 LYS CA C 13 58.78 0.040 . 1 . . . . 263 LYS CA . 15488 1 152 . 1 1 40 40 LYS N N 15 117.43 0.040 . 1 . . . . 263 LYS N . 15488 1 153 . 1 1 41 41 TYR H H 1 5.99 0.005 . 1 . . . . 264 TYR H . 15488 1 154 . 1 1 41 41 TYR C C 13 173.92 0.040 . 1 . . . . 264 TYR C . 15488 1 155 . 1 1 41 41 TYR CA C 13 56.34 0.040 . 1 . . . . 264 TYR CA . 15488 1 156 . 1 1 41 41 TYR N N 15 111.62 0.040 . 1 . . . . 264 TYR N . 15488 1 157 . 1 1 42 42 SER H H 1 7.77 0.005 . 1 . . . . 265 SER H . 15488 1 158 . 1 1 42 42 SER C C 13 173.30 0.040 . 1 . . . . 265 SER C . 15488 1 159 . 1 1 42 42 SER CA C 13 58.88 0.040 . 1 . . . . 265 SER CA . 15488 1 160 . 1 1 42 42 SER N N 15 114.91 0.040 . 1 . . . . 265 SER N . 15488 1 161 . 1 1 43 43 LEU H H 1 7.12 0.005 . 1 . . . . 266 LEU H . 15488 1 162 . 1 1 43 43 LEU C C 13 175.93 0.040 . 1 . . . . 266 LEU C . 15488 1 163 . 1 1 43 43 LEU CA C 13 53.34 0.040 . 1 . . . . 266 LEU CA . 15488 1 164 . 1 1 43 43 LEU N N 15 119.22 0.040 . 1 . . . . 266 LEU N . 15488 1 165 . 1 1 44 44 THR H H 1 8.96 0.005 . 1 . . . . 267 THR H . 15488 1 166 . 1 1 44 44 THR C C 13 172.76 0.040 . 1 . . . . 267 THR C . 15488 1 167 . 1 1 44 44 THR CA C 13 64.23 0.040 . 1 . . . . 267 THR CA . 15488 1 168 . 1 1 44 44 THR N N 15 125.55 0.040 . 1 . . . . 267 THR N . 15488 1 169 . 1 1 45 45 VAL H H 1 8.60 0.005 . 1 . . . . 268 VAL H . 15488 1 170 . 1 1 45 45 VAL C C 13 173.00 0.040 . 1 . . . . 268 VAL C . 15488 1 171 . 1 1 45 45 VAL CA C 13 59.80 0.040 . 1 . . . . 268 VAL CA . 15488 1 172 . 1 1 45 45 VAL N N 15 118.57 0.040 . 1 . . . . 268 VAL N . 15488 1 173 . 1 1 46 46 ALA H H 1 8.44 0.005 . 1 . . . . 269 ALA H . 15488 1 174 . 1 1 46 46 ALA C C 13 175.59 0.040 . 1 . . . . 269 ALA C . 15488 1 175 . 1 1 46 46 ALA CA C 13 50.41 0.040 . 1 . . . . 269 ALA CA . 15488 1 176 . 1 1 46 46 ALA N N 15 122.83 0.040 . 1 . . . . 269 ALA N . 15488 1 177 . 1 1 47 47 VAL H H 1 8.95 0.005 . 1 . . . . 270 VAL H . 15488 1 178 . 1 1 47 47 VAL C C 13 174.85 0.040 . 1 . . . . 270 VAL C . 15488 1 179 . 1 1 47 47 VAL CA C 13 60.95 0.040 . 1 . . . . 270 VAL CA . 15488 1 180 . 1 1 47 47 VAL N N 15 119.89 0.040 . 1 . . . . 270 VAL N . 15488 1 181 . 1 1 48 48 LYS H H 1 9.69 0.005 . 1 . . . . 271 LYS H . 15488 1 182 . 1 1 48 48 LYS CA C 13 55.66 0.040 . 1 . . . . 271 LYS CA . 15488 1 183 . 1 1 48 48 LYS N N 15 111.82 0.040 . 1 . . . . 271 LYS N . 15488 1 184 . 1 1 49 49 THR H H 1 8.69 0.005 . 1 . . . . 272 THR H . 15488 1 185 . 1 1 49 49 THR C C 13 172.56 0.040 . 1 . . . . 272 THR C . 15488 1 186 . 1 1 49 49 THR CA C 13 58.97 0.040 . 1 . . . . 272 THR CA . 15488 1 187 . 1 1 49 49 THR N N 15 118.91 0.040 . 1 . . . . 272 THR N . 15488 1 188 . 1 1 50 50 LEU H H 1 8.13 0.005 . 1 . . . . 273 LEU H . 15488 1 189 . 1 1 50 50 LEU C C 13 176.07 0.040 . 1 . . . . 273 LEU C . 15488 1 190 . 1 1 50 50 LEU CA C 13 54.11 0.040 . 1 . . . . 273 LEU CA . 15488 1 191 . 1 1 50 50 LEU N N 15 123.51 0.040 . 1 . . . . 273 LEU N . 15488 1 192 . 1 1 51 51 LYS H H 1 8.47 0.005 . 1 . . . . 274 LYS H . 15488 1 193 . 1 1 51 51 LYS C C 13 176.36 0.040 . 1 . . . . 274 LYS C . 15488 1 194 . 1 1 51 51 LYS CA C 13 56.93 0.040 . 1 . . . . 274 LYS CA . 15488 1 195 . 1 1 51 51 LYS N N 15 125.66 0.040 . 1 . . . . 274 LYS N . 15488 1 196 . 1 1 52 52 GLU H H 1 8.61 0.005 . 1 . . . . 275 GLU H . 15488 1 197 . 1 1 52 52 GLU C C 13 175.79 0.040 . 1 . . . . 275 GLU C . 15488 1 198 . 1 1 52 52 GLU CA C 13 57.82 0.040 . 1 . . . . 275 GLU CA . 15488 1 199 . 1 1 52 52 GLU N N 15 120.91 0.040 . 1 . . . . 275 GLU N . 15488 1 200 . 1 1 53 53 ASP H H 1 8.44 0.005 . 1 . . . . 276 ASP H . 15488 1 201 . 1 1 53 53 ASP C C 13 176.33 0.040 . 1 . . . . 276 ASP C . 15488 1 202 . 1 1 53 53 ASP CA C 13 54.56 0.040 . 1 . . . . 276 ASP CA . 15488 1 203 . 1 1 53 53 ASP N N 15 117.08 0.040 . 1 . . . . 276 ASP N . 15488 1 204 . 1 1 54 54 THR H H 1 7.62 0.005 . 1 . . . . 277 THR H . 15488 1 205 . 1 1 54 54 THR C C 13 174.78 0.040 . 1 . . . . 277 THR C . 15488 1 206 . 1 1 54 54 THR CA C 13 62.16 0.040 . 1 . . . . 277 THR CA . 15488 1 207 . 1 1 54 54 THR N N 15 111.38 0.040 . 1 . . . . 277 THR N . 15488 1 208 . 1 1 55 55 MET H H 1 8.26 0.005 . 1 . . . . 278 MET H . 15488 1 209 . 1 1 55 55 MET C C 13 176.09 0.040 . 1 . . . . 278 MET C . 15488 1 210 . 1 1 55 55 MET CA C 13 56.03 0.040 . 1 . . . . 278 MET CA . 15488 1 211 . 1 1 55 55 MET N N 15 121.13 0.040 . 1 . . . . 278 MET N . 15488 1 212 . 1 1 56 56 GLU H H 1 8.43 0.005 . 1 . . . . 279 GLU H . 15488 1 213 . 1 1 56 56 GLU C C 13 177.25 0.040 . 1 . . . . 279 GLU C . 15488 1 214 . 1 1 56 56 GLU CA C 13 56.68 0.040 . 1 . . . . 279 GLU CA . 15488 1 215 . 1 1 56 56 GLU N N 15 120.15 0.040 . 1 . . . . 279 GLU N . 15488 1 216 . 1 1 57 57 VAL H H 1 8.22 0.005 . 1 . . . . 280 VAL H . 15488 1 217 . 1 1 57 57 VAL C C 13 177.05 0.040 . 1 . . . . 280 VAL C . 15488 1 218 . 1 1 57 57 VAL CA C 13 65.75 0.040 . 1 . . . . 280 VAL CA . 15488 1 219 . 1 1 57 57 VAL N N 15 121.81 0.040 . 1 . . . . 280 VAL N . 15488 1 220 . 1 1 58 58 GLU H H 1 8.60 0.005 . 1 . . . . 281 GLU H . 15488 1 221 . 1 1 58 58 GLU C C 13 179.61 0.040 . 1 . . . . 281 GLU C . 15488 1 222 . 1 1 58 58 GLU CA C 13 60.45 0.040 . 1 . . . . 281 GLU CA . 15488 1 223 . 1 1 58 58 GLU N N 15 119.16 0.040 . 1 . . . . 281 GLU N . 15488 1 224 . 1 1 59 59 GLU H H 1 7.92 0.005 . 1 . . . . 282 GLU H . 15488 1 225 . 1 1 59 59 GLU C C 13 173.58 0.040 . 1 . . . . 282 GLU C . 15488 1 226 . 1 1 59 59 GLU CA C 13 59.27 0.040 . 1 . . . . 282 GLU CA . 15488 1 227 . 1 1 59 59 GLU N N 15 117.85 0.040 . 1 . . . . 282 GLU N . 15488 1 228 . 1 1 60 60 PHE H H 1 8.03 0.005 . 1 . . . . 283 PHE H . 15488 1 229 . 1 1 60 60 PHE C C 13 177.27 0.040 . 1 . . . . 283 PHE C . 15488 1 230 . 1 1 60 60 PHE CA C 13 61.80 0.040 . 1 . . . . 283 PHE CA . 15488 1 231 . 1 1 60 60 PHE N N 15 124.23 0.040 . 1 . . . . 283 PHE N . 15488 1 232 . 1 1 61 61 LEU H H 1 8.51 0.005 . 1 . . . . 284 LEU H . 15488 1 233 . 1 1 61 61 LEU C C 13 180.84 0.040 . 1 . . . . 284 LEU C . 15488 1 234 . 1 1 61 61 LEU CA C 13 57.44 0.040 . 1 . . . . 284 LEU CA . 15488 1 235 . 1 1 61 61 LEU N N 15 116.63 0.040 . 1 . . . . 284 LEU N . 15488 1 236 . 1 1 62 62 LYS H H 1 8.11 0.005 . 1 . . . . 285 LYS H . 15488 1 237 . 1 1 62 62 LYS C C 13 178.33 0.040 . 1 . . . . 285 LYS C . 15488 1 238 . 1 1 62 62 LYS CA C 13 59.60 0.040 . 1 . . . . 285 LYS CA . 15488 1 239 . 1 1 62 62 LYS N N 15 121.75 0.040 . 1 . . . . 285 LYS N . 15488 1 240 . 1 1 63 63 GLU H H 1 7.77 0.005 . 1 . . . . 286 GLU H . 15488 1 241 . 1 1 63 63 GLU C C 13 177.96 0.040 . 1 . . . . 286 GLU C . 15488 1 242 . 1 1 63 63 GLU CA C 13 59.48 0.040 . 1 . . . . 286 GLU CA . 15488 1 243 . 1 1 63 63 GLU N N 15 121.75 0.040 . 1 . . . . 286 GLU N . 15488 1 244 . 1 1 64 64 ALA H H 1 7.71 0.005 . 1 . . . . 287 ALA H . 15488 1 245 . 1 1 64 64 ALA C C 13 177.64 0.040 . 1 . . . . 287 ALA C . 15488 1 246 . 1 1 64 64 ALA CA C 13 55.28 0.040 . 1 . . . . 287 ALA CA . 15488 1 247 . 1 1 64 64 ALA N N 15 119.48 0.040 . 1 . . . . 287 ALA N . 15488 1 248 . 1 1 65 65 ALA H H 1 7.55 0.005 . 1 . . . . 288 ALA H . 15488 1 249 . 1 1 65 65 ALA C C 13 181.20 0.040 . 1 . . . . 288 ALA C . 15488 1 250 . 1 1 65 65 ALA CA C 13 55.36 0.040 . 1 . . . . 288 ALA CA . 15488 1 251 . 1 1 65 65 ALA N N 15 115.74 0.040 . 1 . . . . 288 ALA N . 15488 1 252 . 1 1 66 66 VAL H H 1 7.94 0.005 . 1 . . . . 289 VAL H . 15488 1 253 . 1 1 66 66 VAL C C 13 175.64 0.040 . 1 . . . . 289 VAL C . 15488 1 254 . 1 1 66 66 VAL CA C 13 65.64 0.040 . 1 . . . . 289 VAL CA . 15488 1 255 . 1 1 66 66 VAL N N 15 118.58 0.040 . 1 . . . . 289 VAL N . 15488 1 256 . 1 1 67 67 MET H H 1 7.75 0.005 . 1 . . . . 290 MET H . 15488 1 257 . 1 1 67 67 MET C C 13 177.50 0.040 . 1 . . . . 290 MET C . 15488 1 258 . 1 1 67 67 MET CA C 13 59.33 0.040 . 1 . . . . 290 MET CA . 15488 1 259 . 1 1 67 67 MET N N 15 117.58 0.040 . 1 . . . . 290 MET N . 15488 1 260 . 1 1 68 68 LYS H H 1 7.15 0.005 . 1 . . . . 291 LYS H . 15488 1 261 . 1 1 68 68 LYS C C 13 177.51 0.040 . 1 . . . . 291 LYS C . 15488 1 262 . 1 1 68 68 LYS CA C 13 58.91 0.040 . 1 . . . . 291 LYS CA . 15488 1 263 . 1 1 68 68 LYS N N 15 116.21 0.040 . 1 . . . . 291 LYS N . 15488 1 264 . 1 1 69 69 GLU H H 1 7.31 0.005 . 1 . . . . 292 GLU H . 15488 1 265 . 1 1 69 69 GLU C C 13 176.26 0.040 . 1 . . . . 292 GLU C . 15488 1 266 . 1 1 69 69 GLU CA C 13 56.13 0.040 . 1 . . . . 292 GLU CA . 15488 1 267 . 1 1 69 69 GLU N N 15 114.86 0.040 . 1 . . . . 292 GLU N . 15488 1 268 . 1 1 70 70 ILE H H 1 7.10 0.005 . 1 . . . . 293 ILE H . 15488 1 269 . 1 1 70 70 ILE C C 13 174.66 0.040 . 1 . . . . 293 ILE C . 15488 1 270 . 1 1 70 70 ILE CA C 13 60.93 0.040 . 1 . . . . 293 ILE CA . 15488 1 271 . 1 1 70 70 ILE N N 15 117.02 0.040 . 1 . . . . 293 ILE N . 15488 1 272 . 1 1 71 71 LYS H H 1 8.22 0.005 . 1 . . . . 294 LYS H . 15488 1 273 . 1 1 71 71 LYS C C 13 172.90 0.040 . 1 . . . . 294 LYS C . 15488 1 274 . 1 1 71 71 LYS CA C 13 55.90 0.040 . 1 . . . . 294 LYS CA . 15488 1 275 . 1 1 71 71 LYS N N 15 127.09 0.040 . 1 . . . . 294 LYS N . 15488 1 276 . 1 1 72 72 HIS H H 1 8.56 0.005 . 1 . . . . 295 HIS H . 15488 1 277 . 1 1 72 72 HIS CA C 13 56.11 0.040 . 1 . . . . 295 HIS CA . 15488 1 278 . 1 1 72 72 HIS N N 15 126.29 0.040 . 1 . . . . 295 HIS N . 15488 1 279 . 1 1 73 73 PRO C C 13 176.93 0.040 . 1 . . . . 296 PRO C . 15488 1 280 . 1 1 73 73 PRO CA C 13 64.87 0.040 . 1 . . . . 296 PRO CA . 15488 1 281 . 1 1 74 74 ASN H H 1 11.17 0.005 . 1 . . . . 297 ASN H . 15488 1 282 . 1 1 74 74 ASN C C 13 173.33 0.040 . 1 . . . . 297 ASN C . 15488 1 283 . 1 1 74 74 ASN CA C 13 53.97 0.040 . 1 . . . . 297 ASN CA . 15488 1 284 . 1 1 74 74 ASN N N 15 115.89 0.040 . 1 . . . . 297 ASN N . 15488 1 285 . 1 1 75 75 LEU H H 1 7.79 0.005 . 1 . . . . 298 LEU H . 15488 1 286 . 1 1 75 75 LEU C C 13 175.94 0.040 . 1 . . . . 298 LEU C . 15488 1 287 . 1 1 75 75 LEU CA C 13 54.52 0.040 . 1 . . . . 298 LEU CA . 15488 1 288 . 1 1 75 75 LEU N N 15 121.13 0.040 . 1 . . . . 298 LEU N . 15488 1 289 . 1 1 76 76 VAL H H 1 7.67 0.005 . 1 . . . . 299 VAL H . 15488 1 290 . 1 1 76 76 VAL C C 13 172.77 0.040 . 1 . . . . 299 VAL C . 15488 1 291 . 1 1 76 76 VAL CA C 13 63.32 0.040 . 1 . . . . 299 VAL CA . 15488 1 292 . 1 1 76 76 VAL N N 15 122.51 0.040 . 1 . . . . 299 VAL N . 15488 1 293 . 1 1 77 77 GLN H H 1 9.24 0.005 . 1 . . . . 300 GLN H . 15488 1 294 . 1 1 77 77 GLN C C 13 175.75 0.040 . 1 . . . . 300 GLN C . 15488 1 295 . 1 1 77 77 GLN CA C 13 55.30 0.040 . 1 . . . . 300 GLN CA . 15488 1 296 . 1 1 77 77 GLN N N 15 126.83 0.040 . 1 . . . . 300 GLN N . 15488 1 297 . 1 1 78 78 LEU H H 1 8.32 0.005 . 1 . . . . 301 LEU H . 15488 1 298 . 1 1 78 78 LEU C C 13 175.94 0.040 . 1 . . . . 301 LEU C . 15488 1 299 . 1 1 78 78 LEU CA C 13 55.84 0.040 . 1 . . . . 301 LEU CA . 15488 1 300 . 1 1 78 78 LEU N N 15 127.52 0.040 . 1 . . . . 301 LEU N . 15488 1 301 . 1 1 79 79 LEU H H 1 9.45 0.005 . 1 . . . . 302 LEU H . 15488 1 302 . 1 1 79 79 LEU C C 13 177.00 0.040 . 1 . . . . 302 LEU C . 15488 1 303 . 1 1 79 79 LEU CA C 13 55.08 0.040 . 1 . . . . 302 LEU CA . 15488 1 304 . 1 1 79 79 LEU N N 15 125.66 0.040 . 1 . . . . 302 LEU N . 15488 1 305 . 1 1 80 80 GLY H H 1 7.82 0.005 . 1 . . . . 303 GLY H . 15488 1 306 . 1 1 80 80 GLY C C 13 178.95 0.040 . 1 . . . . 303 GLY C . 15488 1 307 . 1 1 80 80 GLY CA C 13 46.34 0.040 . 1 . . . . 303 GLY CA . 15488 1 308 . 1 1 80 80 GLY N N 15 103.80 0.040 . 1 . . . . 303 GLY N . 15488 1 309 . 1 1 81 81 VAL H H 1 8.51 0.005 . 1 . . . . 304 VAL H . 15488 1 310 . 1 1 81 81 VAL C C 13 174.23 0.040 . 1 . . . . 304 VAL C . 15488 1 311 . 1 1 81 81 VAL CA C 13 58.83 0.040 . 1 . . . . 304 VAL CA . 15488 1 312 . 1 1 81 81 VAL N N 15 109.98 0.040 . 1 . . . . 304 VAL N . 15488 1 313 . 1 1 82 82 CYS H H 1 8.89 0.005 . 1 . . . . 305 CYS H . 15488 1 314 . 1 1 82 82 CYS C C 13 176.01 0.040 . 1 . . . . 305 CYS C . 15488 1 315 . 1 1 82 82 CYS CA C 13 58.66 0.040 . 1 . . . . 305 CYS CA . 15488 1 316 . 1 1 82 82 CYS N N 15 118.42 0.040 . 1 . . . . 305 CYS N . 15488 1 317 . 1 1 83 83 THR H H 1 11.20 0.005 . 1 . . . . 306 THR H . 15488 1 318 . 1 1 83 83 THR C C 13 173.97 0.040 . 1 . . . . 306 THR C . 15488 1 319 . 1 1 83 83 THR CA C 13 60.81 0.040 . 1 . . . . 306 THR CA . 15488 1 320 . 1 1 83 83 THR N N 15 115.03 0.040 . 1 . . . . 306 THR N . 15488 1 321 . 1 1 84 84 ARG H H 1 8.28 0.005 . 1 . . . . 307 ARG H . 15488 1 322 . 1 1 84 84 ARG C C 13 176.42 0.040 . 1 . . . . 307 ARG C . 15488 1 323 . 1 1 84 84 ARG CA C 13 58.65 0.040 . 1 . . . . 307 ARG CA . 15488 1 324 . 1 1 84 84 ARG N N 15 121.95 0.040 . 1 . . . . 307 ARG N . 15488 1 325 . 1 1 85 85 GLU H H 1 7.52 0.005 . 1 . . . . 308 GLU H . 15488 1 326 . 1 1 85 85 GLU CA C 13 53.73 0.040 . 1 . . . . 308 GLU CA . 15488 1 327 . 1 1 85 85 GLU N N 15 113.93 0.040 . 1 . . . . 308 GLU N . 15488 1 328 . 1 1 87 87 PRO C C 13 175.50 0.040 . 1 . . . . 310 PRO C . 15488 1 329 . 1 1 87 87 PRO CA C 13 61.28 0.040 . 1 . . . . 310 PRO CA . 15488 1 330 . 1 1 88 88 PHE H H 1 8.34 0.005 . 1 . . . . 311 PHE H . 15488 1 331 . 1 1 88 88 PHE C C 13 176.22 0.040 . 1 . . . . 311 PHE C . 15488 1 332 . 1 1 88 88 PHE CA C 13 54.99 0.040 . 1 . . . . 311 PHE CA . 15488 1 333 . 1 1 88 88 PHE N N 15 123.14 0.040 . 1 . . . . 311 PHE N . 15488 1 334 . 1 1 89 89 TYR H H 1 9.07 0.005 . 1 . . . . 312 TYR H . 15488 1 335 . 1 1 89 89 TYR C C 13 177.54 0.040 . 1 . . . . 312 TYR C . 15488 1 336 . 1 1 89 89 TYR CA C 13 53.45 0.040 . 1 . . . . 312 TYR CA . 15488 1 337 . 1 1 89 89 TYR N N 15 117.37 0.040 . 1 . . . . 312 TYR N . 15488 1 338 . 1 1 90 90 ILE H H 1 9.12 0.005 . 1 . . . . 313 ILE H . 15488 1 339 . 1 1 90 90 ILE C C 13 174.06 0.040 . 1 . . . . 313 ILE C . 15488 1 340 . 1 1 90 90 ILE CA C 13 63.52 0.040 . 1 . . . . 313 ILE CA . 15488 1 341 . 1 1 90 90 ILE N N 15 120.03 0.040 . 1 . . . . 313 ILE N . 15488 1 342 . 1 1 91 91 ILE H H 1 8.72 0.005 . 1 . . . . 314 ILE H . 15488 1 343 . 1 1 91 91 ILE C C 13 175.97 0.040 . 1 . . . . 314 ILE C . 15488 1 344 . 1 1 91 91 ILE CA C 13 61.06 0.040 . 1 . . . . 314 ILE CA . 15488 1 345 . 1 1 91 91 ILE N N 15 126.99 0.040 . 1 . . . . 314 ILE N . 15488 1 346 . 1 1 92 92 THR H H 1 9.54 0.005 . 1 . . . . 315 THR H . 15488 1 347 . 1 1 92 92 THR C C 13 173.51 0.040 . 1 . . . . 315 THR C . 15488 1 348 . 1 1 92 92 THR CA C 13 59.80 0.040 . 1 . . . . 315 THR CA . 15488 1 349 . 1 1 92 92 THR N N 15 117.42 0.040 . 1 . . . . 315 THR N . 15488 1 350 . 1 1 93 93 GLU H H 1 7.41 0.005 . 1 . . . . 316 GLU H . 15488 1 351 . 1 1 93 93 GLU C C 13 172.82 0.040 . 1 . . . . 316 GLU C . 15488 1 352 . 1 1 93 93 GLU CA C 13 55.84 0.040 . 1 . . . . 316 GLU CA . 15488 1 353 . 1 1 93 93 GLU N N 15 115.12 0.040 . 1 . . . . 316 GLU N . 15488 1 354 . 1 1 94 94 PHE H H 1 8.81 0.005 . 1 . . . . 317 PHE H . 15488 1 355 . 1 1 94 94 PHE C C 13 175.46 0.040 . 1 . . . . 317 PHE C . 15488 1 356 . 1 1 94 94 PHE CA C 13 56.34 0.040 . 1 . . . . 317 PHE CA . 15488 1 357 . 1 1 94 94 PHE N N 15 121.29 0.040 . 1 . . . . 317 PHE N . 15488 1 358 . 1 1 95 95 MET H H 1 10.12 0.005 . 1 . . . . 318 MET H . 15488 1 359 . 1 1 95 95 MET C C 13 176.32 0.040 . 1 . . . . 318 MET C . 15488 1 360 . 1 1 95 95 MET CA C 13 53.34 0.040 . 1 . . . . 318 MET CA . 15488 1 361 . 1 1 95 95 MET N N 15 129.88 0.040 . 1 . . . . 318 MET N . 15488 1 362 . 1 1 96 96 THR H H 1 8.43 0.005 . 1 . . . . 319 THR H . 15488 1 363 . 1 1 96 96 THR C C 13 174.82 0.040 . 1 . . . . 319 THR C . 15488 1 364 . 1 1 96 96 THR CA C 13 66.38 0.040 . 1 . . . . 319 THR CA . 15488 1 365 . 1 1 96 96 THR N N 15 115.82 0.040 . 1 . . . . 319 THR N . 15488 1 366 . 1 1 97 97 TYR H H 1 7.93 0.005 . 1 . . . . 320 TYR H . 15488 1 367 . 1 1 97 97 TYR C C 13 175.82 0.040 . 1 . . . . 320 TYR C . 15488 1 368 . 1 1 97 97 TYR CA C 13 58.74 0.040 . 1 . . . . 320 TYR CA . 15488 1 369 . 1 1 97 97 TYR N N 15 115.29 0.040 . 1 . . . . 320 TYR N . 15488 1 370 . 1 1 98 98 GLY H H 1 7.47 0.005 . 1 . . . . 321 GLY H . 15488 1 371 . 1 1 98 98 GLY C C 13 172.34 0.040 . 1 . . . . 321 GLY C . 15488 1 372 . 1 1 98 98 GLY CA C 13 46.12 0.040 . 1 . . . . 321 GLY CA . 15488 1 373 . 1 1 98 98 GLY N N 15 104.98 0.040 . 1 . . . . 321 GLY N . 15488 1 374 . 1 1 99 99 ASN H H 1 8.06 0.005 . 1 . . . . 322 ASN H . 15488 1 375 . 1 1 99 99 ASN C C 13 176.03 0.040 . 1 . . . . 322 ASN C . 15488 1 376 . 1 1 99 99 ASN CA C 13 53.79 0.040 . 1 . . . . 322 ASN CA . 15488 1 377 . 1 1 99 99 ASN N N 15 117.27 0.040 . 1 . . . . 322 ASN N . 15488 1 378 . 1 1 100 100 LEU H H 1 8.57 0.005 . 1 . . . . 323 LEU H . 15488 1 379 . 1 1 100 100 LEU C C 13 176.22 0.040 . 1 . . . . 323 LEU C . 15488 1 380 . 1 1 100 100 LEU CA C 13 57.27 0.040 . 1 . . . . 323 LEU CA . 15488 1 381 . 1 1 100 100 LEU N N 15 121.18 0.040 . 1 . . . . 323 LEU N . 15488 1 382 . 1 1 101 101 LEU H H 1 7.24 0.005 . 1 . . . . 324 LEU H . 15488 1 383 . 1 1 101 101 LEU C C 13 177.60 0.040 . 1 . . . . 324 LEU C . 15488 1 384 . 1 1 101 101 LEU CA C 13 58.59 0.040 . 1 . . . . 324 LEU CA . 15488 1 385 . 1 1 101 101 LEU N N 15 119.94 0.040 . 1 . . . . 324 LEU N . 15488 1 386 . 1 1 102 102 ASP H H 1 7.99 0.005 . 1 . . . . 325 ASP H . 15488 1 387 . 1 1 102 102 ASP C C 13 176.17 0.040 . 1 . . . . 325 ASP C . 15488 1 388 . 1 1 102 102 ASP CA C 13 57.51 0.040 . 1 . . . . 325 ASP CA . 15488 1 389 . 1 1 102 102 ASP N N 15 117.04 0.040 . 1 . . . . 325 ASP N . 15488 1 390 . 1 1 103 103 TYR H H 1 8.07 0.005 . 1 . . . . 326 TYR H . 15488 1 391 . 1 1 103 103 TYR C C 13 178.55 0.040 . 1 . . . . 326 TYR C . 15488 1 392 . 1 1 103 103 TYR CA C 13 61.97 0.040 . 1 . . . . 326 TYR CA . 15488 1 393 . 1 1 103 103 TYR N N 15 119.21 0.040 . 1 . . . . 326 TYR N . 15488 1 394 . 1 1 104 104 LEU H H 1 8.72 0.005 . 1 . . . . 327 LEU H . 15488 1 395 . 1 1 104 104 LEU C C 13 178.66 0.040 . 1 . . . . 327 LEU C . 15488 1 396 . 1 1 104 104 LEU CA C 13 57.23 0.040 . 1 . . . . 327 LEU CA . 15488 1 397 . 1 1 104 104 LEU N N 15 118.36 0.040 . 1 . . . . 327 LEU N . 15488 1 398 . 1 1 105 105 ARG H H 1 7.67 0.005 . 1 . . . . 328 ARG H . 15488 1 399 . 1 1 105 105 ARG C C 13 178.45 0.040 . 1 . . . . 328 ARG C . 15488 1 400 . 1 1 105 105 ARG CA C 13 59.34 0.040 . 1 . . . . 328 ARG CA . 15488 1 401 . 1 1 105 105 ARG N N 15 115.26 0.040 . 1 . . . . 328 ARG N . 15488 1 402 . 1 1 106 106 GLU H H 1 7.39 0.005 . 1 . . . . 329 GLU H . 15488 1 403 . 1 1 106 106 GLU C C 13 177.11 0.040 . 1 . . . . 329 GLU C . 15488 1 404 . 1 1 106 106 GLU CA C 13 55.67 0.040 . 1 . . . . 329 GLU CA . 15488 1 405 . 1 1 106 106 GLU N N 15 114.45 0.040 . 1 . . . . 329 GLU N . 15488 1 406 . 1 1 107 107 CYS H H 1 7.22 0.005 . 1 . . . . 330 CYS H . 15488 1 407 . 1 1 107 107 CYS C C 13 173.06 0.040 . 1 . . . . 330 CYS C . 15488 1 408 . 1 1 107 107 CYS CA C 13 58.21 0.040 . 1 . . . . 330 CYS CA . 15488 1 409 . 1 1 107 107 CYS N N 15 116.74 0.040 . 1 . . . . 330 CYS N . 15488 1 410 . 1 1 108 108 ASN H H 1 8.54 0.005 . 1 . . . . 331 ASN H . 15488 1 411 . 1 1 108 108 ASN C C 13 176.66 0.040 . 1 . . . . 331 ASN C . 15488 1 412 . 1 1 108 108 ASN CA C 13 52.54 0.040 . 1 . . . . 331 ASN CA . 15488 1 413 . 1 1 108 108 ASN N N 15 118.14 0.040 . 1 . . . . 331 ASN N . 15488 1 414 . 1 1 109 109 ARG H H 1 8.90 0.005 . 1 . . . . 332 ARG H . 15488 1 415 . 1 1 109 109 ARG C C 13 176.66 0.040 . 1 . . . . 332 ARG C . 15488 1 416 . 1 1 109 109 ARG CA C 13 58.43 0.040 . 1 . . . . 332 ARG CA . 15488 1 417 . 1 1 109 109 ARG N N 15 127.12 0.040 . 1 . . . . 332 ARG N . 15488 1 418 . 1 1 110 110 GLN H H 1 8.01 0.005 . 1 . . . . 333 GLN H . 15488 1 419 . 1 1 110 110 GLN C C 13 177.48 0.040 . 1 . . . . 333 GLN C . 15488 1 420 . 1 1 110 110 GLN CA C 13 58.00 0.040 . 1 . . . . 333 GLN CA . 15488 1 421 . 1 1 110 110 GLN N N 15 115.99 0.040 . 1 . . . . 333 GLN N . 15488 1 422 . 1 1 111 111 GLU H H 1 7.20 0.005 . 1 . . . . 334 GLU H . 15488 1 423 . 1 1 111 111 GLU C C 13 177.06 0.040 . 1 . . . . 334 GLU C . 15488 1 424 . 1 1 111 111 GLU CA C 13 57.66 0.040 . 1 . . . . 334 GLU CA . 15488 1 425 . 1 1 111 111 GLU N N 15 118.48 0.040 . 1 . . . . 334 GLU N . 15488 1 426 . 1 1 112 112 VAL H H 1 8.43 0.005 . 1 . . . . 335 VAL H . 15488 1 427 . 1 1 112 112 VAL C C 13 173.01 0.040 . 1 . . . . 335 VAL C . 15488 1 428 . 1 1 112 112 VAL CA C 13 61.26 0.040 . 1 . . . . 335 VAL CA . 15488 1 429 . 1 1 112 112 VAL N N 15 121.89 0.040 . 1 . . . . 335 VAL N . 15488 1 430 . 1 1 113 113 ASN H H 1 6.80 0.005 . 1 . . . . 336 ASN H . 15488 1 431 . 1 1 113 113 ASN C C 13 175.14 0.040 . 1 . . . . 336 ASN C . 15488 1 432 . 1 1 113 113 ASN CA C 13 51.27 0.040 . 1 . . . . 336 ASN CA . 15488 1 433 . 1 1 113 113 ASN N N 15 119.74 0.040 . 1 . . . . 336 ASN N . 15488 1 434 . 1 1 114 114 ALA H H 1 8.38 0.005 . 1 . . . . 337 ALA H . 15488 1 435 . 1 1 114 114 ALA C C 13 179.92 0.040 . 1 . . . . 337 ALA C . 15488 1 436 . 1 1 114 114 ALA CA C 13 56.41 0.040 . 1 . . . . 337 ALA CA . 15488 1 437 . 1 1 114 114 ALA N N 15 118.94 0.040 . 1 . . . . 337 ALA N . 15488 1 438 . 1 1 115 115 VAL H H 1 7.50 0.005 . 1 . . . . 338 VAL H . 15488 1 439 . 1 1 115 115 VAL C C 13 178.25 0.040 . 1 . . . . 338 VAL C . 15488 1 440 . 1 1 115 115 VAL CA C 13 66.33 0.040 . 1 . . . . 338 VAL CA . 15488 1 441 . 1 1 115 115 VAL N N 15 116.27 0.040 . 1 . . . . 338 VAL N . 15488 1 442 . 1 1 116 116 VAL H H 1 7.43 0.005 . 1 . . . . 339 VAL H . 15488 1 443 . 1 1 116 116 VAL C C 13 178.64 0.040 . 1 . . . . 339 VAL C . 15488 1 444 . 1 1 116 116 VAL CA C 13 66.44 0.040 . 1 . . . . 339 VAL CA . 15488 1 445 . 1 1 116 116 VAL N N 15 122.29 0.040 . 1 . . . . 339 VAL N . 15488 1 446 . 1 1 117 117 LEU H H 1 8.42 0.005 . 1 . . . . 340 LEU H . 15488 1 447 . 1 1 117 117 LEU C C 13 180.31 0.040 . 1 . . . . 340 LEU C . 15488 1 448 . 1 1 117 117 LEU CA C 13 58.80 0.040 . 1 . . . . 340 LEU CA . 15488 1 449 . 1 1 117 117 LEU N N 15 119.15 0.040 . 1 . . . . 340 LEU N . 15488 1 450 . 1 1 118 118 LEU H H 1 7.79 0.005 . 1 . . . . 341 LEU H . 15488 1 451 . 1 1 118 118 LEU C C 13 180.38 0.040 . 1 . . . . 341 LEU C . 15488 1 452 . 1 1 118 118 LEU CA C 13 58.02 0.040 . 1 . . . . 341 LEU CA . 15488 1 453 . 1 1 118 118 LEU N N 15 118.89 0.040 . 1 . . . . 341 LEU N . 15488 1 454 . 1 1 119 119 TYR H H 1 8.45 0.005 . 1 . . . . 342 TYR H . 15488 1 455 . 1 1 119 119 TYR C C 13 179.09 0.040 . 1 . . . . 342 TYR C . 15488 1 456 . 1 1 119 119 TYR CA C 13 59.38 0.040 . 1 . . . . 342 TYR CA . 15488 1 457 . 1 1 119 119 TYR N N 15 124.13 0.040 . 1 . . . . 342 TYR N . 15488 1 458 . 1 1 120 120 MET H H 1 8.88 0.005 . 1 . . . . 343 MET H . 15488 1 459 . 1 1 120 120 MET C C 13 177.29 0.040 . 1 . . . . 343 MET C . 15488 1 460 . 1 1 120 120 MET CA C 13 60.91 0.040 . 1 . . . . 343 MET CA . 15488 1 461 . 1 1 120 120 MET N N 15 120.12 0.040 . 1 . . . . 343 MET N . 15488 1 462 . 1 1 121 121 ALA H H 1 7.96 0.005 . 1 . . . . 344 ALA H . 15488 1 463 . 1 1 121 121 ALA C C 13 179.57 0.040 . 1 . . . . 344 ALA C . 15488 1 464 . 1 1 121 121 ALA CA C 13 55.66 0.040 . 1 . . . . 344 ALA CA . 15488 1 465 . 1 1 121 121 ALA N N 15 119.42 0.040 . 1 . . . . 344 ALA N . 15488 1 466 . 1 1 122 122 THR H H 1 8.22 0.005 . 1 . . . . 345 THR H . 15488 1 467 . 1 1 122 122 THR C C 13 177.11 0.040 . 1 . . . . 345 THR C . 15488 1 468 . 1 1 122 122 THR CA C 13 67.85 0.040 . 1 . . . . 345 THR CA . 15488 1 469 . 1 1 122 122 THR N N 15 116.26 0.040 . 1 . . . . 345 THR N . 15488 1 470 . 1 1 123 123 GLN H H 1 7.66 0.005 . 1 . . . . 346 GLN H . 15488 1 471 . 1 1 123 123 GLN C C 13 178.03 0.040 . 1 . . . . 346 GLN C . 15488 1 472 . 1 1 123 123 GLN CA C 13 59.89 0.040 . 1 . . . . 346 GLN CA . 15488 1 473 . 1 1 123 123 GLN N N 15 122.19 0.040 . 1 . . . . 346 GLN N . 15488 1 474 . 1 1 124 124 ILE H H 1 7.75 0.005 . 1 . . . . 347 ILE H . 15488 1 475 . 1 1 124 124 ILE C C 13 178.17 0.040 . 1 . . . . 347 ILE C . 15488 1 476 . 1 1 124 124 ILE CA C 13 65.58 0.040 . 1 . . . . 347 ILE CA . 15488 1 477 . 1 1 124 124 ILE N N 15 117.63 0.040 . 1 . . . . 347 ILE N . 15488 1 478 . 1 1 125 125 SER H H 1 8.45 0.005 . 1 . . . . 348 SER H . 15488 1 479 . 1 1 125 125 SER C C 13 175.18 0.040 . 1 . . . . 348 SER C . 15488 1 480 . 1 1 125 125 SER CA C 13 62.80 0.040 . 1 . . . . 348 SER CA . 15488 1 481 . 1 1 125 125 SER N N 15 114.21 0.040 . 1 . . . . 348 SER N . 15488 1 482 . 1 1 126 126 SER H H 1 7.62 0.005 . 1 . . . . 349 SER H . 15488 1 483 . 1 1 126 126 SER C C 13 177.36 0.040 . 1 . . . . 349 SER C . 15488 1 484 . 1 1 126 126 SER CA C 13 60.91 0.040 . 1 . . . . 349 SER CA . 15488 1 485 . 1 1 126 126 SER N N 15 118.56 0.040 . 1 . . . . 349 SER N . 15488 1 486 . 1 1 127 127 ALA H H 1 7.40 0.005 . 1 . . . . 350 ALA H . 15488 1 487 . 1 1 127 127 ALA C C 13 179.13 0.040 . 1 . . . . 350 ALA C . 15488 1 488 . 1 1 127 127 ALA CA C 13 54.64 0.040 . 1 . . . . 350 ALA CA . 15488 1 489 . 1 1 127 127 ALA N N 15 122.76 0.040 . 1 . . . . 350 ALA N . 15488 1 490 . 1 1 128 128 MET H H 1 7.54 0.005 . 1 . . . . 351 MET H . 15488 1 491 . 1 1 128 128 MET C C 13 178.42 0.040 . 1 . . . . 351 MET C . 15488 1 492 . 1 1 128 128 MET CA C 13 54.77 0.040 . 1 . . . . 351 MET CA . 15488 1 493 . 1 1 128 128 MET N N 15 112.53 0.040 . 1 . . . . 351 MET N . 15488 1 494 . 1 1 129 129 GLU H H 1 8.28 0.005 . 1 . . . . 352 GLU H . 15488 1 495 . 1 1 129 129 GLU C C 13 177.98 0.040 . 1 . . . . 352 GLU C . 15488 1 496 . 1 1 129 129 GLU CA C 13 59.78 0.040 . 1 . . . . 352 GLU CA . 15488 1 497 . 1 1 129 129 GLU N N 15 122.45 0.040 . 1 . . . . 352 GLU N . 15488 1 498 . 1 1 130 130 TYR H H 1 7.38 0.005 . 1 . . . . 353 TYR H . 15488 1 499 . 1 1 130 130 TYR C C 13 177.08 0.040 . 1 . . . . 353 TYR C . 15488 1 500 . 1 1 130 130 TYR CA C 13 61.66 0.040 . 1 . . . . 353 TYR CA . 15488 1 501 . 1 1 130 130 TYR N N 15 121.36 0.040 . 1 . . . . 353 TYR N . 15488 1 502 . 1 1 131 131 LEU H H 1 7.96 0.005 . 1 . . . . 354 LEU H . 15488 1 503 . 1 1 131 131 LEU C C 13 178.59 0.040 . 1 . . . . 354 LEU C . 15488 1 504 . 1 1 131 131 LEU CA C 13 59.00 0.040 . 1 . . . . 354 LEU CA . 15488 1 505 . 1 1 131 131 LEU N N 15 118.45 0.040 . 1 . . . . 354 LEU N . 15488 1 506 . 1 1 132 132 GLU H H 1 8.77 0.005 . 1 . . . . 355 GLU H . 15488 1 507 . 1 1 132 132 GLU C C 13 180.23 0.040 . 1 . . . . 355 GLU C . 15488 1 508 . 1 1 132 132 GLU CA C 13 59.80 0.040 . 1 . . . . 355 GLU CA . 15488 1 509 . 1 1 132 132 GLU N N 15 119.58 0.040 . 1 . . . . 355 GLU N . 15488 1 510 . 1 1 133 133 LYS H H 1 8.23 0.005 . 1 . . . . 356 LYS H . 15488 1 511 . 1 1 133 133 LYS C C 13 178.07 0.040 . 1 . . . . 356 LYS C . 15488 1 512 . 1 1 133 133 LYS CA C 13 59.06 0.040 . 1 . . . . 356 LYS CA . 15488 1 513 . 1 1 133 133 LYS N N 15 121.33 0.040 . 1 . . . . 356 LYS N . 15488 1 514 . 1 1 134 134 LYS H H 1 7.46 0.005 . 1 . . . . 357 LYS H . 15488 1 515 . 1 1 134 134 LYS C C 13 174.85 0.040 . 1 . . . . 357 LYS C . 15488 1 516 . 1 1 134 134 LYS CA C 13 55.14 0.040 . 1 . . . . 357 LYS CA . 15488 1 517 . 1 1 134 134 LYS N N 15 117.35 0.040 . 1 . . . . 357 LYS N . 15488 1 518 . 1 1 135 135 ASN H H 1 7.83 0.005 . 1 . . . . 358 ASN H . 15488 1 519 . 1 1 135 135 ASN C C 13 174.52 0.040 . 1 . . . . 358 ASN C . 15488 1 520 . 1 1 135 135 ASN CA C 13 54.80 0.040 . 1 . . . . 358 ASN CA . 15488 1 521 . 1 1 135 135 ASN N N 15 113.22 0.040 . 1 . . . . 358 ASN N . 15488 1 522 . 1 1 136 136 PHE H H 1 8.16 0.005 . 1 . . . . 359 PHE H . 15488 1 523 . 1 1 136 136 PHE C C 13 174.33 0.040 . 1 . . . . 359 PHE C . 15488 1 524 . 1 1 136 136 PHE CA C 13 55.44 0.040 . 1 . . . . 359 PHE CA . 15488 1 525 . 1 1 136 136 PHE N N 15 116.92 0.040 . 1 . . . . 359 PHE N . 15488 1 526 . 1 1 137 137 ILE H H 1 8.01 0.005 . 1 . . . . 360 ILE H . 15488 1 527 . 1 1 137 137 ILE CA C 13 59.73 0.040 . 1 . . . . 360 ILE CA . 15488 1 528 . 1 1 137 137 ILE N N 15 114.41 0.040 . 1 . . . . 360 ILE N . 15488 1 529 . 1 1 138 138 HIS C C 13 176.56 0.040 . 1 . . . . 361 HIS C . 15488 1 530 . 1 1 139 139 ARG H H 1 9.84 0.005 . 1 . . . . 362 ARG H . 15488 1 531 . 1 1 139 139 ARG C C 13 176.12 0.040 . 1 . . . . 362 ARG C . 15488 1 532 . 1 1 139 139 ARG CA C 13 59.51 0.040 . 1 . . . . 362 ARG CA . 15488 1 533 . 1 1 139 139 ARG N N 15 113.24 0.040 . 1 . . . . 362 ARG N . 15488 1 534 . 1 1 140 140 ASP H H 1 10.83 0.005 . 1 . . . . 363 ASP H . 15488 1 535 . 1 1 140 140 ASP C C 13 174.03 0.040 . 1 . . . . 363 ASP C . 15488 1 536 . 1 1 140 140 ASP CA C 13 52.62 0.040 . 1 . . . . 363 ASP CA . 15488 1 537 . 1 1 140 140 ASP N N 15 126.58 0.040 . 1 . . . . 363 ASP N . 15488 1 538 . 1 1 141 141 LEU H H 1 9.42 0.005 . 1 . . . . 364 LEU H . 15488 1 539 . 1 1 141 141 LEU C C 13 175.34 0.040 . 1 . . . . 364 LEU C . 15488 1 540 . 1 1 141 141 LEU CA C 13 56.92 0.040 . 1 . . . . 364 LEU CA . 15488 1 541 . 1 1 141 141 LEU N N 15 125.06 0.040 . 1 . . . . 364 LEU N . 15488 1 542 . 1 1 142 142 ALA H H 1 6.59 0.005 . 1 . . . . 365 ALA H . 15488 1 543 . 1 1 142 142 ALA C C 13 177.61 0.040 . 1 . . . . 365 ALA C . 15488 1 544 . 1 1 142 142 ALA CA C 13 52.25 0.040 . 1 . . . . 365 ALA CA . 15488 1 545 . 1 1 142 142 ALA N N 15 120.45 0.040 . 1 . . . . 365 ALA N . 15488 1 546 . 1 1 143 143 ALA H H 1 10.31 0.005 . 1 . . . . 366 ALA H . 15488 1 547 . 1 1 143 143 ALA C C 13 178.89 0.040 . 1 . . . . 366 ALA C . 15488 1 548 . 1 1 143 143 ALA CA C 13 57.10 0.040 . 1 . . . . 366 ALA CA . 15488 1 549 . 1 1 143 143 ALA N N 15 129.22 0.040 . 1 . . . . 366 ALA N . 15488 1 550 . 1 1 144 144 ARG H H 1 9.53 0.005 . 1 . . . . 367 ARG H . 15488 1 551 . 1 1 144 144 ARG C C 13 174.83 0.040 . 1 . . . . 367 ARG C . 15488 1 552 . 1 1 144 144 ARG CA C 13 57.35 0.040 . 1 . . . . 367 ARG CA . 15488 1 553 . 1 1 144 144 ARG N N 15 113.61 0.040 . 1 . . . . 367 ARG N . 15488 1 554 . 1 1 145 145 ASN H H 1 7.28 0.005 . 1 . . . . 368 ASN H . 15488 1 555 . 1 1 145 145 ASN C C 13 172.74 0.040 . 1 . . . . 368 ASN C . 15488 1 556 . 1 1 145 145 ASN CA C 13 53.25 0.040 . 1 . . . . 368 ASN CA . 15488 1 557 . 1 1 145 145 ASN N N 15 117.28 0.040 . 1 . . . . 368 ASN N . 15488 1 558 . 1 1 146 146 CYS H H 1 7.46 0.005 . 1 . . . . 369 CYS H . 15488 1 559 . 1 1 146 146 CYS C C 13 173.86 0.040 . 1 . . . . 369 CYS C . 15488 1 560 . 1 1 146 146 CYS CA C 13 57.61 0.040 . 1 . . . . 369 CYS CA . 15488 1 561 . 1 1 146 146 CYS N N 15 112.72 0.040 . 1 . . . . 369 CYS N . 15488 1 562 . 1 1 147 147 LEU H H 1 9.26 0.005 . 1 . . . . 370 LEU H . 15488 1 563 . 1 1 147 147 LEU C C 13 174.99 0.040 . 1 . . . . 370 LEU C . 15488 1 564 . 1 1 147 147 LEU CA C 13 53.02 0.040 . 1 . . . . 370 LEU CA . 15488 1 565 . 1 1 147 147 LEU N N 15 122.19 0.040 . 1 . . . . 370 LEU N . 15488 1 566 . 1 1 148 148 VAL H H 1 8.31 0.005 . 1 . . . . 371 VAL H . 15488 1 567 . 1 1 148 148 VAL C C 13 174.85 0.040 . 1 . . . . 371 VAL C . 15488 1 568 . 1 1 148 148 VAL CA C 13 60.77 0.040 . 1 . . . . 371 VAL CA . 15488 1 569 . 1 1 148 148 VAL N N 15 118.44 0.040 . 1 . . . . 371 VAL N . 15488 1 570 . 1 1 149 149 GLY H H 1 9.19 0.005 . 1 . . . . 372 GLY H . 15488 1 571 . 1 1 149 149 GLY C C 13 172.91 0.040 . 1 . . . . 372 GLY C . 15488 1 572 . 1 1 149 149 GLY CA C 13 43.42 0.040 . 1 . . . . 372 GLY CA . 15488 1 573 . 1 1 149 149 GLY N N 15 114.78 0.040 . 1 . . . . 372 GLY N . 15488 1 574 . 1 1 150 150 GLU H H 1 8.69 0.005 . 1 . . . . 373 GLU H . 15488 1 575 . 1 1 150 150 GLU C C 13 177.70 0.040 . 1 . . . . 373 GLU C . 15488 1 576 . 1 1 150 150 GLU CA C 13 57.71 0.040 . 1 . . . . 373 GLU CA . 15488 1 577 . 1 1 150 150 GLU N N 15 118.34 0.040 . 1 . . . . 373 GLU N . 15488 1 578 . 1 1 151 151 ASN H H 1 9.10 0.005 . 1 . . . . 374 ASN H . 15488 1 579 . 1 1 151 151 ASN C C 13 175.01 0.040 . 1 . . . . 374 ASN C . 15488 1 580 . 1 1 151 151 ASN CA C 13 54.34 0.040 . 1 . . . . 374 ASN CA . 15488 1 581 . 1 1 151 151 ASN N N 15 117.39 0.040 . 1 . . . . 374 ASN N . 15488 1 582 . 1 1 152 152 HIS H H 1 8.54 0.005 . 1 . . . . 375 HIS H . 15488 1 583 . 1 1 152 152 HIS C C 13 171.98 0.040 . 1 . . . . 375 HIS C . 15488 1 584 . 1 1 152 152 HIS CA C 13 57.06 0.040 . 1 . . . . 375 HIS CA . 15488 1 585 . 1 1 152 152 HIS N N 15 109.84 0.040 . 1 . . . . 375 HIS N . 15488 1 586 . 1 1 153 153 LEU H H 1 6.72 0.005 . 1 . . . . 376 LEU H . 15488 1 587 . 1 1 153 153 LEU C C 13 175.41 0.040 . 1 . . . . 376 LEU C . 15488 1 588 . 1 1 153 153 LEU CA C 13 54.90 0.040 . 1 . . . . 376 LEU CA . 15488 1 589 . 1 1 153 153 LEU N N 15 120.67 0.040 . 1 . . . . 376 LEU N . 15488 1 590 . 1 1 154 154 VAL H H 1 8.40 0.005 . 1 . . . . 377 VAL H . 15488 1 591 . 1 1 154 154 VAL C C 13 174.51 0.040 . 1 . . . . 377 VAL C . 15488 1 592 . 1 1 154 154 VAL CA C 13 59.61 0.040 . 1 . . . . 377 VAL CA . 15488 1 593 . 1 1 154 154 VAL N N 15 124.09 0.040 . 1 . . . . 377 VAL N . 15488 1 594 . 1 1 155 155 LYS H H 1 8.60 0.005 . 1 . . . . 378 LYS H . 15488 1 595 . 1 1 155 155 LYS C C 13 175.12 0.040 . 1 . . . . 378 LYS C . 15488 1 596 . 1 1 155 155 LYS CA C 13 53.35 0.040 . 1 . . . . 378 LYS CA . 15488 1 597 . 1 1 155 155 LYS N N 15 119.76 0.040 . 1 . . . . 378 LYS N . 15488 1 598 . 1 1 156 156 VAL H H 1 8.78 0.005 . 1 . . . . 379 VAL H . 15488 1 599 . 1 1 156 156 VAL C C 13 172.55 0.040 . 1 . . . . 379 VAL C . 15488 1 600 . 1 1 156 156 VAL CA C 13 63.64 0.040 . 1 . . . . 379 VAL CA . 15488 1 601 . 1 1 156 156 VAL N N 15 123.50 0.040 . 1 . . . . 379 VAL N . 15488 1 602 . 1 1 157 157 ALA H H 1 8.29 0.005 . 1 . . . . 380 ALA H . 15488 1 603 . 1 1 157 157 ALA C C 13 174.81 0.040 . 1 . . . . 380 ALA C . 15488 1 604 . 1 1 157 157 ALA CA C 13 50.54 0.040 . 1 . . . . 380 ALA CA . 15488 1 605 . 1 1 157 157 ALA N N 15 112.01 0.040 . 1 . . . . 380 ALA N . 15488 1 606 . 1 1 158 158 ASP H H 1 7.42 0.005 . 1 . . . . 381 ASP H . 15488 1 607 . 1 1 158 158 ASP C C 13 175.14 0.040 . 1 . . . . 381 ASP C . 15488 1 608 . 1 1 158 158 ASP CA C 13 54.52 0.040 . 1 . . . . 381 ASP CA . 15488 1 609 . 1 1 158 158 ASP N N 15 115.59 0.040 . 1 . . . . 381 ASP N . 15488 1 610 . 1 1 159 159 PHE H H 1 7.79 0.005 . 1 . . . . 382 PHE H . 15488 1 611 . 1 1 159 159 PHE C C 13 177.25 0.040 . 1 . . . . 382 PHE C . 15488 1 612 . 1 1 159 159 PHE CA C 13 55.26 0.040 . 1 . . . . 382 PHE CA . 15488 1 613 . 1 1 159 159 PHE N N 15 122.41 0.040 . 1 . . . . 382 PHE N . 15488 1 614 . 1 1 160 160 GLY H H 1 8.32 0.005 . 1 . . . . 383 GLY H . 15488 1 615 . 1 1 160 160 GLY CA C 13 47.37 0.040 . 1 . . . . 383 GLY CA . 15488 1 616 . 1 1 160 160 GLY N N 15 110.28 0.040 . 1 . . . . 383 GLY N . 15488 1 617 . 1 1 161 161 LEU C C 13 178.81 0.040 . 1 . . . . 384 LEU C . 15488 1 618 . 1 1 162 162 SER H H 1 8.12 0.005 . 1 . . . . 385 SER H . 15488 1 619 . 1 1 162 162 SER CA C 13 60.21 0.040 . 1 . . . . 385 SER CA . 15488 1 620 . 1 1 162 162 SER N N 15 114.76 0.040 . 1 . . . . 385 SER N . 15488 1 621 . 1 1 164 164 LEU C C 13 177.21 0.040 . 1 . . . . 387 LEU C . 15488 1 622 . 1 1 165 165 MET H H 1 8.09 0.005 . 1 . . . . 388 MET H . 15488 1 623 . 1 1 165 165 MET C C 13 176.49 0.040 . 1 . . . . 388 MET C . 15488 1 624 . 1 1 165 165 MET CA C 13 56.33 0.040 . 1 . . . . 388 MET CA . 15488 1 625 . 1 1 165 165 MET N N 15 118.81 0.040 . 1 . . . . 388 MET N . 15488 1 626 . 1 1 166 166 THR H H 1 8.20 0.005 . 1 . . . . 389 THR H . 15488 1 627 . 1 1 166 166 THR C C 13 175.15 0.040 . 1 . . . . 389 THR C . 15488 1 628 . 1 1 166 166 THR CA C 13 61.53 0.040 . 1 . . . . 389 THR CA . 15488 1 629 . 1 1 166 166 THR N N 15 114.49 0.040 . 1 . . . . 389 THR N . 15488 1 630 . 1 1 167 167 GLY H H 1 8.52 0.005 . 1 . . . . 390 GLY H . 15488 1 631 . 1 1 167 167 GLY C C 13 174.40 0.040 . 1 . . . . 390 GLY C . 15488 1 632 . 1 1 167 167 GLY CA C 13 45.70 0.040 . 1 . . . . 390 GLY CA . 15488 1 633 . 1 1 167 167 GLY N N 15 110.73 0.040 . 1 . . . . 390 GLY N . 15488 1 634 . 1 1 168 168 ASP H H 1 8.30 0.005 . 1 . . . . 391 ASP H . 15488 1 635 . 1 1 168 168 ASP C C 13 176.64 0.040 . 1 . . . . 391 ASP C . 15488 1 636 . 1 1 168 168 ASP CA C 13 54.28 0.040 . 1 . . . . 391 ASP CA . 15488 1 637 . 1 1 168 168 ASP N N 15 119.78 0.040 . 1 . . . . 391 ASP N . 15488 1 638 . 1 1 169 169 THR H H 1 8.02 0.005 . 1 . . . . 392 THR H . 15488 1 639 . 1 1 169 169 THR CA C 13 58.07 0.040 . 1 . . . . 392 THR CA . 15488 1 640 . 1 1 169 169 THR N N 15 115.88 0.040 . 1 . . . . 392 THR N . 15488 1 641 . 1 1 170 170 TYR H H 1 8.30 0.005 . 1 . . . . 393 TYR H . 15488 1 642 . 1 1 170 170 TYR CA C 13 57.41 0.040 . 1 . . . . 393 TYR CA . 15488 1 643 . 1 1 170 170 TYR N N 15 118.75 0.040 . 1 . . . . 393 TYR N . 15488 1 644 . 1 1 173 173 HIS C C 13 175.55 0.040 . 1 . . . . 396 HIS C . 15488 1 645 . 1 1 173 173 HIS CA C 13 63.05 0.040 . 1 . . . . 396 HIS CA . 15488 1 646 . 1 1 174 174 ALA H H 1 8.50 0.005 . 1 . . . . 397 ALA H . 15488 1 647 . 1 1 174 174 ALA C C 13 177.38 0.040 . 1 . . . . 397 ALA C . 15488 1 648 . 1 1 174 174 ALA CA C 13 53.14 0.040 . 1 . . . . 397 ALA CA . 15488 1 649 . 1 1 174 174 ALA N N 15 119.16 0.040 . 1 . . . . 397 ALA N . 15488 1 650 . 1 1 175 175 GLY H H 1 8.46 0.005 . 1 . . . . 398 GLY H . 15488 1 651 . 1 1 175 175 GLY C C 13 178.71 0.040 . 1 . . . . 398 GLY C . 15488 1 652 . 1 1 175 175 GLY CA C 13 45.59 0.040 . 1 . . . . 398 GLY CA . 15488 1 653 . 1 1 175 175 GLY N N 15 105.49 0.040 . 1 . . . . 398 GLY N . 15488 1 654 . 1 1 176 176 ALA H H 1 8.03 0.005 . 1 . . . . 399 ALA H . 15488 1 655 . 1 1 176 176 ALA C C 13 178.18 0.040 . 1 . . . . 399 ALA C . 15488 1 656 . 1 1 176 176 ALA CA C 13 51.16 0.040 . 1 . . . . 399 ALA CA . 15488 1 657 . 1 1 176 176 ALA N N 15 124.26 0.040 . 1 . . . . 399 ALA N . 15488 1 658 . 1 1 177 177 LYS H H 1 8.07 0.005 . 1 . . . . 400 LYS H . 15488 1 659 . 1 1 177 177 LYS CA C 13 55.67 0.040 . 1 . . . . 400 LYS CA . 15488 1 660 . 1 1 177 177 LYS N N 15 119.18 0.040 . 1 . . . . 400 LYS N . 15488 1 661 . 1 1 180 180 ILE H H 1 8.69 0.005 . 1 . . . . 403 ILE H . 15488 1 662 . 1 1 180 180 ILE N N 15 128.57 0.040 . 1 . . . . 403 ILE N . 15488 1 663 . 1 1 181 181 LYS C C 13 175.34 0.040 . 1 . . . . 404 LYS C . 15488 1 664 . 1 1 182 182 TRP H H 1 8.46 0.005 . 1 . . . . 405 TRP H . 15488 1 665 . 1 1 182 182 TRP C C 13 175.66 0.040 . 1 . . . . 405 TRP C . 15488 1 666 . 1 1 182 182 TRP CA C 13 61.15 0.040 . 1 . . . . 405 TRP CA . 15488 1 667 . 1 1 182 182 TRP N N 15 120.15 0.040 . 1 . . . . 405 TRP N . 15488 1 668 . 1 1 183 183 THR H H 1 7.45 0.005 . 1 . . . . 406 THR H . 15488 1 669 . 1 1 183 183 THR C C 13 171.77 0.040 . 1 . . . . 406 THR C . 15488 1 670 . 1 1 183 183 THR CA C 13 64.28 0.040 . 1 . . . . 406 THR CA . 15488 1 671 . 1 1 183 183 THR N N 15 116.24 0.040 . 1 . . . . 406 THR N . 15488 1 672 . 1 1 184 184 ALA H H 1 8.47 0.005 . 1 . . . . 407 ALA H . 15488 1 673 . 1 1 184 184 ALA CA C 13 50.00 0.040 . 1 . . . . 407 ALA CA . 15488 1 674 . 1 1 184 184 ALA N N 15 128.98 0.040 . 1 . . . . 407 ALA N . 15488 1 675 . 1 1 185 185 PRO C C 13 177.28 0.040 . 1 . . . . 408 PRO C . 15488 1 676 . 1 1 185 185 PRO CA C 13 65.57 0.040 . 1 . . . . 408 PRO CA . 15488 1 677 . 1 1 186 186 GLU H H 1 9.68 0.005 . 1 . . . . 409 GLU H . 15488 1 678 . 1 1 186 186 GLU C C 13 178.25 0.040 . 1 . . . . 409 GLU C . 15488 1 679 . 1 1 186 186 GLU CA C 13 58.70 0.040 . 1 . . . . 409 GLU CA . 15488 1 680 . 1 1 186 186 GLU N N 15 116.53 0.040 . 1 . . . . 409 GLU N . 15488 1 681 . 1 1 187 187 SER H H 1 6.98 0.005 . 1 . . . . 410 SER H . 15488 1 682 . 1 1 187 187 SER C C 13 175.49 0.040 . 1 . . . . 410 SER C . 15488 1 683 . 1 1 187 187 SER CA C 13 60.57 0.040 . 1 . . . . 410 SER CA . 15488 1 684 . 1 1 187 187 SER N N 15 122.00 0.040 . 1 . . . . 410 SER N . 15488 1 685 . 1 1 188 188 LEU H H 1 7.28 0.005 . 1 . . . . 411 LEU H . 15488 1 686 . 1 1 188 188 LEU C C 13 178.47 0.040 . 1 . . . . 411 LEU C . 15488 1 687 . 1 1 188 188 LEU CA C 13 57.28 0.040 . 1 . . . . 411 LEU CA . 15488 1 688 . 1 1 188 188 LEU N N 15 120.59 0.040 . 1 . . . . 411 LEU N . 15488 1 689 . 1 1 189 189 ALA H H 1 8.04 0.005 . 1 . . . . 412 ALA H . 15488 1 690 . 1 1 189 189 ALA C C 13 179.39 0.040 . 1 . . . . 412 ALA C . 15488 1 691 . 1 1 189 189 ALA CA C 13 54.30 0.040 . 1 . . . . 412 ALA CA . 15488 1 692 . 1 1 189 189 ALA N N 15 116.79 0.040 . 1 . . . . 412 ALA N . 15488 1 693 . 1 1 190 190 TYR H H 1 6.95 0.005 . 1 . . . . 413 TYR H . 15488 1 694 . 1 1 190 190 TYR CA C 13 56.21 0.040 . 1 . . . . 413 TYR CA . 15488 1 695 . 1 1 190 190 TYR N N 15 111.02 0.040 . 1 . . . . 413 TYR N . 15488 1 696 . 1 1 191 191 ASN H H 1 7.75 0.005 . 1 . . . . 414 ASN H . 15488 1 697 . 1 1 191 191 ASN C C 13 173.90 0.040 . 1 . . . . 414 ASN C . 15488 1 698 . 1 1 191 191 ASN CA C 13 54.35 0.040 . 1 . . . . 414 ASN CA . 15488 1 699 . 1 1 191 191 ASN N N 15 117.68 0.040 . 1 . . . . 414 ASN N . 15488 1 700 . 1 1 192 192 LYS H H 1 6.91 0.005 . 1 . . . . 415 LYS H . 15488 1 701 . 1 1 192 192 LYS C C 13 174.95 0.040 . 1 . . . . 415 LYS C . 15488 1 702 . 1 1 192 192 LYS CA C 13 55.17 0.040 . 1 . . . . 415 LYS CA . 15488 1 703 . 1 1 192 192 LYS N N 15 116.60 0.040 . 1 . . . . 415 LYS N . 15488 1 704 . 1 1 193 193 PHE H H 1 8.75 0.005 . 1 . . . . 416 PHE H . 15488 1 705 . 1 1 193 193 PHE C C 13 175.05 0.040 . 1 . . . . 416 PHE C . 15488 1 706 . 1 1 193 193 PHE CA C 13 56.86 0.040 . 1 . . . . 416 PHE CA . 15488 1 707 . 1 1 193 193 PHE N N 15 123.72 0.040 . 1 . . . . 416 PHE N . 15488 1 708 . 1 1 194 194 SER H H 1 9.79 0.005 . 1 . . . . 417 SER H . 15488 1 709 . 1 1 194 194 SER C C 13 175.35 0.040 . 1 . . . . 417 SER C . 15488 1 710 . 1 1 194 194 SER CA C 13 58.15 0.040 . 1 . . . . 417 SER CA . 15488 1 711 . 1 1 194 194 SER N N 15 117.31 0.040 . 1 . . . . 417 SER N . 15488 1 712 . 1 1 195 195 ILE H H 1 9.55 0.005 . 1 . . . . 418 ILE H . 15488 1 713 . 1 1 195 195 ILE C C 13 177.72 0.040 . 1 . . . . 418 ILE C . 15488 1 714 . 1 1 195 195 ILE CA C 13 61.75 0.040 . 1 . . . . 418 ILE CA . 15488 1 715 . 1 1 195 195 ILE N N 15 122.51 0.040 . 1 . . . . 418 ILE N . 15488 1 716 . 1 1 196 196 LYS H H 1 7.88 0.005 . 1 . . . . 419 LYS H . 15488 1 717 . 1 1 196 196 LYS C C 13 172.44 0.040 . 1 . . . . 419 LYS C . 15488 1 718 . 1 1 196 196 LYS CA C 13 56.48 0.040 . 1 . . . . 419 LYS CA . 15488 1 719 . 1 1 196 196 LYS N N 15 114.84 0.040 . 1 . . . . 419 LYS N . 15488 1 720 . 1 1 197 197 SER H H 1 8.45 0.005 . 1 . . . . 420 SER H . 15488 1 721 . 1 1 197 197 SER C C 13 178.91 0.040 . 1 . . . . 420 SER C . 15488 1 722 . 1 1 197 197 SER CA C 13 62.33 0.040 . 1 . . . . 420 SER CA . 15488 1 723 . 1 1 197 197 SER N N 15 120.62 0.040 . 1 . . . . 420 SER N . 15488 1 724 . 1 1 198 198 ASP H H 1 7.77 0.005 . 1 . . . . 421 ASP H . 15488 1 725 . 1 1 198 198 ASP C C 13 178.97 0.040 . 1 . . . . 421 ASP C . 15488 1 726 . 1 1 198 198 ASP CA C 13 58.14 0.040 . 1 . . . . 421 ASP CA . 15488 1 727 . 1 1 198 198 ASP N N 15 126.98 0.040 . 1 . . . . 421 ASP N . 15488 1 728 . 1 1 199 199 VAL H H 1 8.15 0.005 . 1 . . . . 422 VAL H . 15488 1 729 . 1 1 199 199 VAL C C 13 177.50 0.040 . 1 . . . . 422 VAL C . 15488 1 730 . 1 1 199 199 VAL CA C 13 67.81 0.040 . 1 . . . . 422 VAL CA . 15488 1 731 . 1 1 199 199 VAL N N 15 122.60 0.040 . 1 . . . . 422 VAL N . 15488 1 732 . 1 1 200 200 TRP H H 1 7.39 0.005 . 1 . . . . 423 TRP H . 15488 1 733 . 1 1 200 200 TRP C C 13 179.13 0.040 . 1 . . . . 423 TRP C . 15488 1 734 . 1 1 200 200 TRP CA C 13 61.98 0.040 . 1 . . . . 423 TRP CA . 15488 1 735 . 1 1 200 200 TRP N N 15 119.47 0.040 . 1 . . . . 423 TRP N . 15488 1 736 . 1 1 201 201 ALA H H 1 8.00 0.005 . 1 . . . . 424 ALA H . 15488 1 737 . 1 1 201 201 ALA C C 13 180.42 0.040 . 1 . . . . 424 ALA C . 15488 1 738 . 1 1 201 201 ALA CA C 13 56.65 0.040 . 1 . . . . 424 ALA CA . 15488 1 739 . 1 1 201 201 ALA N N 15 121.46 0.040 . 1 . . . . 424 ALA N . 15488 1 740 . 1 1 202 202 PHE H H 1 9.46 0.005 . 1 . . . . 425 PHE H . 15488 1 741 . 1 1 202 202 PHE C C 13 176.65 0.040 . 1 . . . . 425 PHE C . 15488 1 742 . 1 1 202 202 PHE CA C 13 61.86 0.040 . 1 . . . . 425 PHE CA . 15488 1 743 . 1 1 202 202 PHE N N 15 119.52 0.040 . 1 . . . . 425 PHE N . 15488 1 744 . 1 1 203 203 GLY H H 1 8.30 0.005 . 1 . . . . 426 GLY H . 15488 1 745 . 1 1 203 203 GLY C C 13 175.43 0.040 . 1 . . . . 426 GLY C . 15488 1 746 . 1 1 203 203 GLY CA C 13 47.70 0.040 . 1 . . . . 426 GLY CA . 15488 1 747 . 1 1 203 203 GLY N N 15 106.60 0.040 . 1 . . . . 426 GLY N . 15488 1 748 . 1 1 204 204 VAL H H 1 7.81 0.005 . 1 . . . . 427 VAL H . 15488 1 749 . 1 1 204 204 VAL C C 13 177.44 0.040 . 1 . . . . 427 VAL C . 15488 1 750 . 1 1 204 204 VAL CA C 13 68.06 0.040 . 1 . . . . 427 VAL CA . 15488 1 751 . 1 1 204 204 VAL N N 15 119.57 0.040 . 1 . . . . 427 VAL N . 15488 1 752 . 1 1 205 205 LEU H H 1 9.19 0.005 . 1 . . . . 428 LEU H . 15488 1 753 . 1 1 205 205 LEU C C 13 179.04 0.040 . 1 . . . . 428 LEU C . 15488 1 754 . 1 1 205 205 LEU CA C 13 58.28 0.040 . 1 . . . . 428 LEU CA . 15488 1 755 . 1 1 205 205 LEU N N 15 124.42 0.040 . 1 . . . . 428 LEU N . 15488 1 756 . 1 1 206 206 LEU H H 1 8.81 0.005 . 1 . . . . 429 LEU H . 15488 1 757 . 1 1 206 206 LEU C C 13 178.28 0.040 . 1 . . . . 429 LEU C . 15488 1 758 . 1 1 206 206 LEU CA C 13 57.62 0.040 . 1 . . . . 429 LEU CA . 15488 1 759 . 1 1 206 206 LEU N N 15 119.32 0.040 . 1 . . . . 429 LEU N . 15488 1 760 . 1 1 207 207 TRP H H 1 7.84 0.005 . 1 . . . . 430 TRP H . 15488 1 761 . 1 1 207 207 TRP C C 13 178.93 0.040 . 1 . . . . 430 TRP C . 15488 1 762 . 1 1 207 207 TRP CA C 13 63.68 0.040 . 1 . . . . 430 TRP CA . 15488 1 763 . 1 1 207 207 TRP N N 15 122.85 0.040 . 1 . . . . 430 TRP N . 15488 1 764 . 1 1 208 208 GLU H H 1 9.15 0.005 . 1 . . . . 431 GLU H . 15488 1 765 . 1 1 208 208 GLU C C 13 178.59 0.040 . 1 . . . . 431 GLU C . 15488 1 766 . 1 1 208 208 GLU CA C 13 61.85 0.040 . 1 . . . . 431 GLU CA . 15488 1 767 . 1 1 208 208 GLU N N 15 119.92 0.040 . 1 . . . . 431 GLU N . 15488 1 768 . 1 1 209 209 ILE H H 1 8.56 0.005 . 1 . . . . 432 ILE H . 15488 1 769 . 1 1 209 209 ILE C C 13 176.93 0.040 . 1 . . . . 432 ILE C . 15488 1 770 . 1 1 209 209 ILE CA C 13 65.64 0.040 . 1 . . . . 432 ILE CA . 15488 1 771 . 1 1 209 209 ILE N N 15 117.53 0.040 . 1 . . . . 432 ILE N . 15488 1 772 . 1 1 210 210 ALA H H 1 8.06 0.005 . 1 . . . . 433 ALA H . 15488 1 773 . 1 1 210 210 ALA C C 13 178.32 0.040 . 1 . . . . 433 ALA C . 15488 1 774 . 1 1 210 210 ALA CA C 13 53.90 0.040 . 1 . . . . 433 ALA CA . 15488 1 775 . 1 1 210 210 ALA N N 15 116.94 0.040 . 1 . . . . 433 ALA N . 15488 1 776 . 1 1 211 211 THR H H 1 7.18 0.005 . 1 . . . . 434 THR H . 15488 1 777 . 1 1 211 211 THR C C 13 174.60 0.040 . 1 . . . . 434 THR C . 15488 1 778 . 1 1 211 211 THR CA C 13 60.73 0.040 . 1 . . . . 434 THR CA . 15488 1 779 . 1 1 211 211 THR N N 15 103.61 0.040 . 1 . . . . 434 THR N . 15488 1 780 . 1 1 212 212 TYR H H 1 7.81 0.005 . 1 . . . . 435 TYR H . 15488 1 781 . 1 1 212 212 TYR C C 13 175.34 0.040 . 1 . . . . 435 TYR C . 15488 1 782 . 1 1 212 212 TYR CA C 13 61.56 0.040 . 1 . . . . 435 TYR CA . 15488 1 783 . 1 1 212 212 TYR N N 15 116.52 0.040 . 1 . . . . 435 TYR N . 15488 1 784 . 1 1 213 213 GLY H H 1 9.50 0.005 . 1 . . . . 436 GLY H . 15488 1 785 . 1 1 213 213 GLY C C 13 175.79 0.040 . 1 . . . . 436 GLY C . 15488 1 786 . 1 1 213 213 GLY CA C 13 46.63 0.040 . 1 . . . . 436 GLY CA . 15488 1 787 . 1 1 213 213 GLY N N 15 103.31 0.040 . 1 . . . . 436 GLY N . 15488 1 788 . 1 1 214 214 MET H H 1 7.47 0.005 . 1 . . . . 437 MET H . 15488 1 789 . 1 1 214 214 MET C C 13 176.17 0.040 . 1 . . . . 437 MET C . 15488 1 790 . 1 1 214 214 MET CA C 13 56.80 0.040 . 1 . . . . 437 MET CA . 15488 1 791 . 1 1 214 214 MET N N 15 119.81 0.040 . 1 . . . . 437 MET N . 15488 1 792 . 1 1 215 215 SER H H 1 8.30 0.005 . 1 . . . . 438 SER H . 15488 1 793 . 1 1 215 215 SER CA C 13 56.52 0.040 . 1 . . . . 438 SER CA . 15488 1 794 . 1 1 215 215 SER N N 15 116.86 0.040 . 1 . . . . 438 SER N . 15488 1 795 . 1 1 216 216 PRO C C 13 173.73 0.040 . 1 . . . . 439 PRO C . 15488 1 796 . 1 1 216 216 PRO CA C 13 62.46 0.040 . 1 . . . . 439 PRO CA . 15488 1 797 . 1 1 217 217 TYR H H 1 6.98 0.005 . 1 . . . . 440 TYR H . 15488 1 798 . 1 1 217 217 TYR CA C 13 58.19 0.040 . 1 . . . . 440 TYR CA . 15488 1 799 . 1 1 217 217 TYR N N 15 114.16 0.040 . 1 . . . . 440 TYR N . 15488 1 800 . 1 1 218 218 PRO C C 13 179.22 0.040 . 1 . . . . 441 PRO C . 15488 1 801 . 1 1 218 218 PRO CA C 13 63.89 0.040 . 1 . . . . 441 PRO CA . 15488 1 802 . 1 1 219 219 GLY H H 1 8.81 0.005 . 1 . . . . 442 GLY H . 15488 1 803 . 1 1 219 219 GLY C C 13 173.67 0.040 . 1 . . . . 442 GLY C . 15488 1 804 . 1 1 219 219 GLY CA C 13 45.79 0.040 . 1 . . . . 442 GLY CA . 15488 1 805 . 1 1 219 219 GLY N N 15 110.84 0.040 . 1 . . . . 442 GLY N . 15488 1 806 . 1 1 220 220 ILE H H 1 7.37 0.005 . 1 . . . . 443 ILE H . 15488 1 807 . 1 1 220 220 ILE C C 13 175.47 0.040 . 1 . . . . 443 ILE C . 15488 1 808 . 1 1 220 220 ILE CA C 13 59.12 0.040 . 1 . . . . 443 ILE CA . 15488 1 809 . 1 1 220 220 ILE N N 15 119.70 0.040 . 1 . . . . 443 ILE N . 15488 1 810 . 1 1 221 221 ASP H H 1 8.56 0.005 . 1 . . . . 444 ASP H . 15488 1 811 . 1 1 221 221 ASP C C 13 177.34 0.040 . 1 . . . . 444 ASP C . 15488 1 812 . 1 1 221 221 ASP CA C 13 54.27 0.040 . 1 . . . . 444 ASP CA . 15488 1 813 . 1 1 221 221 ASP N N 15 127.34 0.040 . 1 . . . . 444 ASP N . 15488 1 814 . 1 1 222 222 LEU H H 1 8.57 0.005 . 1 . . . . 445 LEU H . 15488 1 815 . 1 1 222 222 LEU C C 13 178.46 0.040 . 1 . . . . 445 LEU C . 15488 1 816 . 1 1 222 222 LEU CA C 13 58.15 0.040 . 1 . . . . 445 LEU CA . 15488 1 817 . 1 1 222 222 LEU N N 15 125.05 0.040 . 1 . . . . 445 LEU N . 15488 1 818 . 1 1 223 223 SER H H 1 8.48 0.005 . 1 . . . . 446 SER H . 15488 1 819 . 1 1 223 223 SER C C 13 175.31 0.040 . 1 . . . . 446 SER C . 15488 1 820 . 1 1 223 223 SER CA C 13 60.65 0.040 . 1 . . . . 446 SER CA . 15488 1 821 . 1 1 223 223 SER N N 15 112.06 0.040 . 1 . . . . 446 SER N . 15488 1 822 . 1 1 224 224 GLN H H 1 7.87 0.005 . 1 . . . . 447 GLN H . 15488 1 823 . 1 1 224 224 GLN C C 13 175.82 0.040 . 1 . . . . 447 GLN C . 15488 1 824 . 1 1 224 224 GLN CA C 13 55.31 0.040 . 1 . . . . 447 GLN CA . 15488 1 825 . 1 1 224 224 GLN N N 15 119.43 0.040 . 1 . . . . 447 GLN N . 15488 1 826 . 1 1 225 225 VAL H H 1 6.83 0.005 . 1 . . . . 448 VAL H . 15488 1 827 . 1 1 225 225 VAL C C 13 175.66 0.040 . 1 . . . . 448 VAL C . 15488 1 828 . 1 1 225 225 VAL CA C 13 67.67 0.040 . 1 . . . . 448 VAL CA . 15488 1 829 . 1 1 225 225 VAL N N 15 118.50 0.040 . 1 . . . . 448 VAL N . 15488 1 830 . 1 1 226 226 TYR H H 1 8.68 0.005 . 1 . . . . 449 TYR H . 15488 1 831 . 1 1 226 226 TYR C C 13 176.21 0.040 . 1 . . . . 449 TYR C . 15488 1 832 . 1 1 226 226 TYR CA C 13 63.74 0.040 . 1 . . . . 449 TYR CA . 15488 1 833 . 1 1 226 226 TYR N N 15 119.00 0.040 . 1 . . . . 449 TYR N . 15488 1 834 . 1 1 227 227 GLU H H 1 8.24 0.005 . 1 . . . . 450 GLU H . 15488 1 835 . 1 1 227 227 GLU C C 13 179.27 0.040 . 1 . . . . 450 GLU C . 15488 1 836 . 1 1 227 227 GLU CA C 13 59.26 0.040 . 1 . . . . 450 GLU CA . 15488 1 837 . 1 1 227 227 GLU N N 15 117.03 0.040 . 1 . . . . 450 GLU N . 15488 1 838 . 1 1 228 228 LEU H H 1 7.76 0.005 . 1 . . . . 451 LEU H . 15488 1 839 . 1 1 228 228 LEU C C 13 179.63 0.040 . 1 . . . . 451 LEU C . 15488 1 840 . 1 1 228 228 LEU CA C 13 58.04 0.040 . 1 . . . . 451 LEU CA . 15488 1 841 . 1 1 228 228 LEU N N 15 118.77 0.040 . 1 . . . . 451 LEU N . 15488 1 842 . 1 1 229 229 LEU H H 1 8.47 0.005 . 1 . . . . 452 LEU H . 15488 1 843 . 1 1 229 229 LEU C C 13 172.59 0.040 . 1 . . . . 452 LEU C . 15488 1 844 . 1 1 229 229 LEU CA C 13 57.56 0.040 . 1 . . . . 452 LEU CA . 15488 1 845 . 1 1 229 229 LEU N N 15 120.02 0.040 . 1 . . . . 452 LEU N . 15488 1 846 . 1 1 230 230 GLU H H 1 8.60 0.005 . 1 . . . . 453 GLU H . 15488 1 847 . 1 1 230 230 GLU C C 13 177.32 0.040 . 1 . . . . 453 GLU C . 15488 1 848 . 1 1 230 230 GLU CA C 13 58.87 0.040 . 1 . . . . 453 GLU CA . 15488 1 849 . 1 1 230 230 GLU N N 15 122.33 0.040 . 1 . . . . 453 GLU N . 15488 1 850 . 1 1 231 231 LYS H H 1 7.19 0.005 . 1 . . . . 454 LYS H . 15488 1 851 . 1 1 231 231 LYS C C 13 175.38 0.040 . 1 . . . . 454 LYS C . 15488 1 852 . 1 1 231 231 LYS CA C 13 56.07 0.040 . 1 . . . . 454 LYS CA . 15488 1 853 . 1 1 231 231 LYS N N 15 117.81 0.040 . 1 . . . . 454 LYS N . 15488 1 854 . 1 1 232 232 ASP H H 1 7.67 0.005 . 1 . . . . 455 ASP H . 15488 1 855 . 1 1 232 232 ASP C C 13 175.21 0.040 . 1 . . . . 455 ASP C . 15488 1 856 . 1 1 232 232 ASP CA C 13 56.52 0.040 . 1 . . . . 455 ASP CA . 15488 1 857 . 1 1 232 232 ASP N N 15 112.13 0.040 . 1 . . . . 455 ASP N . 15488 1 858 . 1 1 233 233 TYR H H 1 8.07 0.005 . 1 . . . . 456 TYR H . 15488 1 859 . 1 1 233 233 TYR C C 13 176.26 0.040 . 1 . . . . 456 TYR C . 15488 1 860 . 1 1 233 233 TYR CA C 13 60.09 0.040 . 1 . . . . 456 TYR CA . 15488 1 861 . 1 1 233 233 TYR N N 15 120.60 0.040 . 1 . . . . 456 TYR N . 15488 1 862 . 1 1 234 234 ARG H H 1 6.86 0.005 . 1 . . . . 457 ARG H . 15488 1 863 . 1 1 234 234 ARG C C 13 173.88 0.040 . 1 . . . . 457 ARG C . 15488 1 864 . 1 1 234 234 ARG CA C 13 52.23 0.040 . 1 . . . . 457 ARG CA . 15488 1 865 . 1 1 234 234 ARG N N 15 124.99 0.040 . 1 . . . . 457 ARG N . 15488 1 866 . 1 1 235 235 MET H H 1 7.28 0.005 . 1 . . . . 458 MET H . 15488 1 867 . 1 1 235 235 MET C C 13 175.83 0.040 . 1 . . . . 458 MET C . 15488 1 868 . 1 1 235 235 MET CA C 13 58.13 0.040 . 1 . . . . 458 MET CA . 15488 1 869 . 1 1 235 235 MET N N 15 116.56 0.040 . 1 . . . . 458 MET N . 15488 1 870 . 1 1 236 236 GLU H H 1 8.52 0.005 . 1 . . . . 459 GLU H . 15488 1 871 . 1 1 236 236 GLU C C 13 175.38 0.040 . 1 . . . . 459 GLU C . 15488 1 872 . 1 1 236 236 GLU CA C 13 55.68 0.040 . 1 . . . . 459 GLU CA . 15488 1 873 . 1 1 236 236 GLU N N 15 120.09 0.040 . 1 . . . . 459 GLU N . 15488 1 874 . 1 1 237 237 ARG H H 1 8.27 0.005 . 1 . . . . 460 ARG H . 15488 1 875 . 1 1 237 237 ARG CA C 13 55.47 0.040 . 1 . . . . 460 ARG CA . 15488 1 876 . 1 1 237 237 ARG N N 15 124.05 0.040 . 1 . . . . 460 ARG N . 15488 1 877 . 1 1 238 238 PRO C C 13 175.96 0.040 . 1 . . . . 461 PRO C . 15488 1 878 . 1 1 238 238 PRO CA C 13 62.18 0.040 . 1 . . . . 461 PRO CA . 15488 1 879 . 1 1 239 239 GLU H H 1 8.57 0.005 . 1 . . . . 462 GLU H . 15488 1 880 . 1 1 239 239 GLU C C 13 178.05 0.040 . 1 . . . . 462 GLU C . 15488 1 881 . 1 1 239 239 GLU CA C 13 58.23 0.040 . 1 . . . . 462 GLU CA . 15488 1 882 . 1 1 239 239 GLU N N 15 123.15 0.040 . 1 . . . . 462 GLU N . 15488 1 883 . 1 1 240 240 GLY H H 1 8.82 0.005 . 1 . . . . 463 GLY H . 15488 1 884 . 1 1 240 240 GLY C C 13 173.70 0.040 . 1 . . . . 463 GLY C . 15488 1 885 . 1 1 240 240 GLY CA C 13 45.32 0.040 . 1 . . . . 463 GLY CA . 15488 1 886 . 1 1 240 240 GLY N N 15 113.14 0.040 . 1 . . . . 463 GLY N . 15488 1 887 . 1 1 241 241 CYS H H 1 7.77 0.005 . 1 . . . . 464 CYS H . 15488 1 888 . 1 1 241 241 CYS CA C 13 56.05 0.040 . 1 . . . . 464 CYS CA . 15488 1 889 . 1 1 241 241 CYS N N 15 122.50 0.040 . 1 . . . . 464 CYS N . 15488 1 890 . 1 1 242 242 PRO C C 13 177.92 0.040 . 1 . . . . 465 PRO C . 15488 1 891 . 1 1 242 242 PRO CA C 13 63.39 0.040 . 1 . . . . 465 PRO CA . 15488 1 892 . 1 1 243 243 GLU H H 1 9.45 0.005 . 1 . . . . 466 GLU H . 15488 1 893 . 1 1 243 243 GLU C C 13 179.07 0.040 . 1 . . . . 466 GLU C . 15488 1 894 . 1 1 243 243 GLU CA C 13 61.34 0.040 . 1 . . . . 466 GLU CA . 15488 1 895 . 1 1 243 243 GLU N N 15 127.65 0.040 . 1 . . . . 466 GLU N . 15488 1 896 . 1 1 244 244 LYS H H 1 9.17 0.005 . 1 . . . . 467 LYS H . 15488 1 897 . 1 1 244 244 LYS C C 13 179.34 0.040 . 1 . . . . 467 LYS C . 15488 1 898 . 1 1 244 244 LYS CA C 13 59.24 0.040 . 1 . . . . 467 LYS CA . 15488 1 899 . 1 1 244 244 LYS N N 15 116.33 0.040 . 1 . . . . 467 LYS N . 15488 1 900 . 1 1 245 245 VAL H H 1 6.88 0.005 . 1 . . . . 468 VAL H . 15488 1 901 . 1 1 245 245 VAL C C 13 177.15 0.040 . 1 . . . . 468 VAL C . 15488 1 902 . 1 1 245 245 VAL CA C 13 66.19 0.040 . 1 . . . . 468 VAL CA . 15488 1 903 . 1 1 245 245 VAL N N 15 117.26 0.040 . 1 . . . . 468 VAL N . 15488 1 904 . 1 1 246 246 TYR H H 1 7.80 0.005 . 1 . . . . 469 TYR H . 15488 1 905 . 1 1 246 246 TYR C C 13 176.60 0.040 . 1 . . . . 469 TYR C . 15488 1 906 . 1 1 246 246 TYR CA C 13 61.23 0.040 . 1 . . . . 469 TYR CA . 15488 1 907 . 1 1 246 246 TYR N N 15 120.90 0.040 . 1 . . . . 469 TYR N . 15488 1 908 . 1 1 247 247 GLU H H 1 8.41 0.005 . 1 . . . . 470 GLU H . 15488 1 909 . 1 1 247 247 GLU C C 13 179.39 0.040 . 1 . . . . 470 GLU C . 15488 1 910 . 1 1 247 247 GLU CA C 13 59.51 0.040 . 1 . . . . 470 GLU CA . 15488 1 911 . 1 1 247 247 GLU N N 15 117.42 0.040 . 1 . . . . 470 GLU N . 15488 1 912 . 1 1 248 248 LEU H H 1 6.99 0.005 . 1 . . . . 471 LEU H . 15488 1 913 . 1 1 248 248 LEU C C 13 178.81 0.040 . 1 . . . . 471 LEU C . 15488 1 914 . 1 1 248 248 LEU CA C 13 57.87 0.040 . 1 . . . . 471 LEU CA . 15488 1 915 . 1 1 248 248 LEU N N 15 120.60 0.040 . 1 . . . . 471 LEU N . 15488 1 916 . 1 1 249 249 MET H H 1 7.74 0.005 . 1 . . . . 472 MET H . 15488 1 917 . 1 1 249 249 MET C C 13 176.06 0.040 . 1 . . . . 472 MET C . 15488 1 918 . 1 1 249 249 MET CA C 13 60.67 0.040 . 1 . . . . 472 MET CA . 15488 1 919 . 1 1 249 249 MET N N 15 120.09 0.040 . 1 . . . . 472 MET N . 15488 1 920 . 1 1 250 250 ARG H H 1 7.51 0.005 . 1 . . . . 473 ARG H . 15488 1 921 . 1 1 250 250 ARG C C 13 179.76 0.040 . 1 . . . . 473 ARG C . 15488 1 922 . 1 1 250 250 ARG CA C 13 57.24 0.040 . 1 . . . . 473 ARG CA . 15488 1 923 . 1 1 250 250 ARG N N 15 111.56 0.040 . 1 . . . . 473 ARG N . 15488 1 924 . 1 1 251 251 ALA H H 1 7.52 0.005 . 1 . . . . 474 ALA H . 15488 1 925 . 1 1 251 251 ALA C C 13 179.80 0.040 . 1 . . . . 474 ALA C . 15488 1 926 . 1 1 251 251 ALA CA C 13 54.85 0.040 . 1 . . . . 474 ALA CA . 15488 1 927 . 1 1 251 251 ALA N N 15 123.69 0.040 . 1 . . . . 474 ALA N . 15488 1 928 . 1 1 252 252 CYS H H 1 7.44 0.005 . 1 . . . . 475 CYS H . 15488 1 929 . 1 1 252 252 CYS C C 13 174.20 0.040 . 1 . . . . 475 CYS C . 15488 1 930 . 1 1 252 252 CYS CA C 13 63.65 0.040 . 1 . . . . 475 CYS CA . 15488 1 931 . 1 1 252 252 CYS N N 15 115.62 0.040 . 1 . . . . 475 CYS N . 15488 1 932 . 1 1 253 253 TRP H H 1 6.72 0.005 . 1 . . . . 476 TRP H . 15488 1 933 . 1 1 253 253 TRP C C 13 176.87 0.040 . 1 . . . . 476 TRP C . 15488 1 934 . 1 1 253 253 TRP CA C 13 52.21 0.040 . 1 . . . . 476 TRP CA . 15488 1 935 . 1 1 253 253 TRP N N 15 111.83 0.040 . 1 . . . . 476 TRP N . 15488 1 936 . 1 1 254 254 GLN H H 1 6.90 0.005 . 1 . . . . 477 GLN H . 15488 1 937 . 1 1 254 254 GLN C C 13 177.00 0.040 . 1 . . . . 477 GLN C . 15488 1 938 . 1 1 254 254 GLN CA C 13 56.66 0.040 . 1 . . . . 477 GLN CA . 15488 1 939 . 1 1 254 254 GLN N N 15 118.69 0.040 . 1 . . . . 477 GLN N . 15488 1 940 . 1 1 255 255 TRP H H 1 9.54 0.005 . 1 . . . . 478 TRP H . 15488 1 941 . 1 1 255 255 TRP C C 13 176.54 0.040 . 1 . . . . 478 TRP C . 15488 1 942 . 1 1 255 255 TRP CA C 13 61.51 0.040 . 1 . . . . 478 TRP CA . 15488 1 943 . 1 1 255 255 TRP N N 15 125.09 0.040 . 1 . . . . 478 TRP N . 15488 1 944 . 1 1 256 256 ASN H H 1 8.92 0.005 . 1 . . . . 479 ASN H . 15488 1 945 . 1 1 256 256 ASN CA C 13 50.35 0.040 . 1 . . . . 479 ASN CA . 15488 1 946 . 1 1 256 256 ASN N N 15 116.03 0.040 . 1 . . . . 479 ASN N . 15488 1 947 . 1 1 257 257 PRO C C 13 178.06 0.040 . 1 . . . . 480 PRO C . 15488 1 948 . 1 1 257 257 PRO CA C 13 65.36 0.040 . 1 . . . . 480 PRO CA . 15488 1 949 . 1 1 258 258 SER H H 1 7.81 0.005 . 1 . . . . 481 SER H . 15488 1 950 . 1 1 258 258 SER C C 13 174.95 0.040 . 1 . . . . 481 SER C . 15488 1 951 . 1 1 258 258 SER CA C 13 60.57 0.040 . 1 . . . . 481 SER CA . 15488 1 952 . 1 1 258 258 SER N N 15 108.08 0.040 . 1 . . . . 481 SER N . 15488 1 953 . 1 1 259 259 ASP H H 1 7.76 0.005 . 1 . . . . 482 ASP H . 15488 1 954 . 1 1 259 259 ASP C C 13 176.12 0.040 . 1 . . . . 482 ASP C . 15488 1 955 . 1 1 259 259 ASP CA C 13 54.84 0.040 . 1 . . . . 482 ASP CA . 15488 1 956 . 1 1 259 259 ASP N N 15 118.63 0.040 . 1 . . . . 482 ASP N . 15488 1 957 . 1 1 260 260 ARG H H 1 7.30 0.005 . 1 . . . . 483 ARG H . 15488 1 958 . 1 1 260 260 ARG CA C 13 54.39 0.040 . 1 . . . . 483 ARG CA . 15488 1 959 . 1 1 260 260 ARG N N 15 120.07 0.040 . 1 . . . . 483 ARG N . 15488 1 960 . 1 1 261 261 PRO C C 13 174.15 0.040 . 1 . . . . 484 PRO C . 15488 1 961 . 1 1 261 261 PRO CA C 13 62.22 0.040 . 1 . . . . 484 PRO CA . 15488 1 962 . 1 1 262 262 SER H H 1 7.97 0.005 . 1 . . . . 485 SER H . 15488 1 963 . 1 1 262 262 SER C C 13 176.35 0.040 . 1 . . . . 485 SER C . 15488 1 964 . 1 1 262 262 SER CA C 13 56.16 0.040 . 1 . . . . 485 SER CA . 15488 1 965 . 1 1 262 262 SER N N 15 109.93 0.040 . 1 . . . . 485 SER N . 15488 1 966 . 1 1 263 263 PHE H H 1 11.30 0.005 . 1 . . . . 486 PHE H . 15488 1 967 . 1 1 263 263 PHE C C 13 179.40 0.040 . 1 . . . . 486 PHE C . 15488 1 968 . 1 1 263 263 PHE CA C 13 63.69 0.040 . 1 . . . . 486 PHE CA . 15488 1 969 . 1 1 263 263 PHE N N 15 121.78 0.040 . 1 . . . . 486 PHE N . 15488 1 970 . 1 1 264 264 ALA H H 1 8.79 0.005 . 1 . . . . 487 ALA H . 15488 1 971 . 1 1 264 264 ALA C C 13 180.85 0.040 . 1 . . . . 487 ALA C . 15488 1 972 . 1 1 264 264 ALA CA C 13 55.83 0.040 . 1 . . . . 487 ALA CA . 15488 1 973 . 1 1 264 264 ALA N N 15 123.48 0.040 . 1 . . . . 487 ALA N . 15488 1 974 . 1 1 265 265 GLU H H 1 7.85 0.005 . 1 . . . . 488 GLU H . 15488 1 975 . 1 1 265 265 GLU C C 13 180.01 0.040 . 1 . . . . 488 GLU C . 15488 1 976 . 1 1 265 265 GLU CA C 13 59.33 0.040 . 1 . . . . 488 GLU CA . 15488 1 977 . 1 1 265 265 GLU N N 15 119.29 0.040 . 1 . . . . 488 GLU N . 15488 1 978 . 1 1 266 266 ILE H H 1 8.54 0.005 . 1 . . . . 489 ILE H . 15488 1 979 . 1 1 266 266 ILE C C 13 177.00 0.040 . 1 . . . . 489 ILE C . 15488 1 980 . 1 1 266 266 ILE CA C 13 65.94 0.040 . 1 . . . . 489 ILE CA . 15488 1 981 . 1 1 266 266 ILE N N 15 122.50 0.040 . 1 . . . . 489 ILE N . 15488 1 982 . 1 1 267 267 HIS H H 1 9.27 0.005 . 1 . . . . 490 HIS H . 15488 1 983 . 1 1 267 267 HIS C C 13 176.96 0.040 . 1 . . . . 490 HIS C . 15488 1 984 . 1 1 267 267 HIS CA C 13 59.09 0.040 . 1 . . . . 490 HIS CA . 15488 1 985 . 1 1 267 267 HIS N N 15 117.64 0.040 . 1 . . . . 490 HIS N . 15488 1 986 . 1 1 268 268 GLN H H 1 7.85 0.005 . 1 . . . . 491 GLN H . 15488 1 987 . 1 1 268 268 GLN C C 13 178.28 0.040 . 1 . . . . 491 GLN C . 15488 1 988 . 1 1 268 268 GLN CA C 13 58.99 0.040 . 1 . . . . 491 GLN CA . 15488 1 989 . 1 1 268 268 GLN N N 15 117.76 0.040 . 1 . . . . 491 GLN N . 15488 1 990 . 1 1 269 269 ALA H H 1 7.97 0.005 . 1 . . . . 492 ALA H . 15488 1 991 . 1 1 269 269 ALA C C 13 181.07 0.040 . 1 . . . . 492 ALA C . 15488 1 992 . 1 1 269 269 ALA CA C 13 55.29 0.040 . 1 . . . . 492 ALA CA . 15488 1 993 . 1 1 269 269 ALA N N 15 122.34 0.040 . 1 . . . . 492 ALA N . 15488 1 994 . 1 1 270 270 PHE H H 1 8.29 0.005 . 1 . . . . 493 PHE H . 15488 1 995 . 1 1 270 270 PHE C C 13 178.17 0.040 . 1 . . . . 493 PHE C . 15488 1 996 . 1 1 270 270 PHE CA C 13 63.42 0.040 . 1 . . . . 493 PHE CA . 15488 1 997 . 1 1 270 270 PHE N N 15 117.45 0.040 . 1 . . . . 493 PHE N . 15488 1 998 . 1 1 271 271 GLU H H 1 8.62 0.005 . 1 . . . . 494 GLU H . 15488 1 999 . 1 1 271 271 GLU C C 13 179.37 0.040 . 1 . . . . 494 GLU C . 15488 1 1000 . 1 1 271 271 GLU CA C 13 60.08 0.040 . 1 . . . . 494 GLU CA . 15488 1 1001 . 1 1 271 271 GLU N N 15 118.87 0.040 . 1 . . . . 494 GLU N . 15488 1 1002 . 1 1 272 272 THR H H 1 7.94 0.005 . 1 . . . . 495 THR H . 15488 1 1003 . 1 1 272 272 THR C C 13 176.03 0.040 . 1 . . . . 495 THR C . 15488 1 1004 . 1 1 272 272 THR CA C 13 65.77 0.040 . 1 . . . . 495 THR CA . 15488 1 1005 . 1 1 272 272 THR N N 15 112.84 0.040 . 1 . . . . 495 THR N . 15488 1 1006 . 1 1 273 273 MET H H 1 7.76 0.005 . 1 . . . . 496 MET H . 15488 1 1007 . 1 1 273 273 MET C C 13 178.00 0.040 . 1 . . . . 496 MET C . 15488 1 1008 . 1 1 273 273 MET CA C 13 58.98 0.040 . 1 . . . . 496 MET CA . 15488 1 1009 . 1 1 273 273 MET N N 15 119.71 0.040 . 1 . . . . 496 MET N . 15488 1 1010 . 1 1 274 274 PHE H H 1 8.68 0.005 . 1 . . . . 497 PHE H . 15488 1 1011 . 1 1 274 274 PHE C C 13 176.98 0.040 . 1 . . . . 497 PHE C . 15488 1 1012 . 1 1 274 274 PHE CA C 13 60.05 0.040 . 1 . . . . 497 PHE CA . 15488 1 1013 . 1 1 274 274 PHE N N 15 118.94 0.040 . 1 . . . . 497 PHE N . 15488 1 1014 . 1 1 275 275 GLN H H 1 8.06 0.005 . 1 . . . . 498 GLN H . 15488 1 1015 . 1 1 275 275 GLN C C 13 176.49 0.040 . 1 . . . . 498 GLN C . 15488 1 1016 . 1 1 275 275 GLN CA C 13 57.12 0.040 . 1 . . . . 498 GLN CA . 15488 1 1017 . 1 1 275 275 GLN N N 15 118.69 0.040 . 1 . . . . 498 GLN N . 15488 1 1018 . 1 1 276 276 GLU H H 1 7.83 0.005 . 1 . . . . 499 GLU H . 15488 1 1019 . 1 1 276 276 GLU C C 13 175.76 0.040 . 1 . . . . 499 GLU C . 15488 1 1020 . 1 1 276 276 GLU CA C 13 56.54 0.040 . 1 . . . . 499 GLU CA . 15488 1 1021 . 1 1 276 276 GLU N N 15 119.26 0.040 . 1 . . . . 499 GLU N . 15488 1 1022 . 1 1 277 277 SER H H 1 7.58 0.005 . 1 . . . . 500 SER H . 15488 1 1023 . 1 1 277 277 SER CA C 13 60.82 0.040 . 1 . . . . 500 SER CA . 15488 1 1024 . 1 1 277 277 SER N N 15 121.77 0.040 . 1 . . . . 500 SER N . 15488 1 stop_ save_