data_17271 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17271 _Entry.Title ; Co-ordinates and 1H, 13C and 15N chemical shift assignments for the complex of GPS2 53-90 and SMRT 167-207 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-01 _Entry.Accession_date 2010-11-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'GPS2/SMRT complex' _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 Jasmeen Oberoi . . . 17271 2 Ji-Chun Yang . . . 17271 3 David Neuhaus . . . 17271 4 John Schwabe . W.R. . 17271 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 17271 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID co-repressor . 17271 GPS2 . 17271 SMRT . 17271 TBL1 . 17271 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17271 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 232 17271 '15N chemical shifts' 90 17271 '1H chemical shifts' 578 17271 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-02-04 2010-11-01 update BMRB 'update entry citation' 17271 1 . . 2011-01-18 2010-11-01 original author 'original release' 17271 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L5G 'BMRB Entry Tracking System' 17271 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17271 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21240272 _Citation.Full_citation . _Citation.Title 'Structural basis for the assembly of the SMRT/NCoR core transcriptional repression machinery.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 18 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 177 _Citation.Page_last 184 _Citation.Year 2011 _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 Jasmeen Oberoi . . . 17271 1 2 Louise Fairall . . . 17271 1 3 Peter Watson . J. . 17271 1 4 Ji-Chun Yang . . . 17271 1 5 Zsolt Czimmerer . . . 17271 1 6 Thorsten Kampmann . . . 17271 1 7 Benjamin Goult . T. . 17271 1 8 Jacquie Greenwood . A. . 17271 1 9 John Gooch . T. . 17271 1 10 Bettina Kallenberger . C. . 17271 1 11 Laszlo Nagy . . . 17271 1 12 David Neuhaus . . . 17271 1 13 John Schwabe . W.R. . 17271 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17271 _Assembly.ID 1 _Assembly.Name 'complex of GPS2 53-90 and SMRT 167-207' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 GPS2_53-90 1 $GPS2_53-90 A . yes native no no . . . 17271 1 2 SMRT_167-207 2 $SMRT_167-207 B . yes native no no . . . 17271 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GPS2_53-90 _Entity.Sf_category entity _Entity.Sf_framecode GPS2_53-90 _Entity.Entry_ID 17271 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GPS2_53-90 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KKEMEERMSLEETKEQILKL EEKLLALQEEKHQLFLQL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 38 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4692.534 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L5G . "Co-Ordinates And 1h, 13c And 15n Chemical Shift Assignments For The Complex Of Gps2 53-90 And Smrt 167-207" . . . . . 100.00 38 100.00 100.00 1.11e-12 . . . . 17271 1 2 no DBJ BAG63313 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 303 100.00 100.00 4.07e-13 . . . . 17271 1 3 no EMBL CAB59255 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 327 100.00 100.00 5.20e-13 . . . . 17271 1 4 no EMBL CAG46524 . "GPS2 [Homo sapiens]" . . . . . 100.00 327 100.00 100.00 5.20e-13 . . . . 17271 1 5 no EMBL CAG46550 . "GPS2 [Homo sapiens]" . . . . . 100.00 327 100.00 100.00 5.20e-13 . . . . 17271 1 6 no GB AAB60432 . "Gps2 [Homo sapiens]" . . . . . 100.00 327 100.00 100.00 5.20e-13 . . . . 17271 1 7 no GB AAH13652 . "G protein pathway suppressor 2 [Homo sapiens]" . . . . . 100.00 327 100.00 100.00 5.20e-13 . . . . 17271 1 8 no GB AAI03902 . "G protein pathway suppressor 2 [Homo sapiens]" . . . . . 100.00 327 100.00 100.00 5.20e-13 . . . . 17271 1 9 no GB AAI03903 . "GPS2 protein [Homo sapiens]" . . . . . 100.00 129 100.00 100.00 9.24e-13 . . . . 17271 1 10 no GB AAI03904 . "G protein pathway suppressor 2 [Homo sapiens]" . . . . . 100.00 327 100.00 100.00 5.20e-13 . . . . 17271 1 11 no REF NP_001069242 . "G protein pathway suppressor 2 [Bos taurus]" . . . . . 100.00 327 97.37 100.00 1.41e-12 . . . . 17271 1 12 no REF NP_004480 . "G protein pathway suppressor 2 [Homo sapiens]" . . . . . 100.00 327 100.00 100.00 5.20e-13 . . . . 17271 1 13 no REF XP_001365129 . "PREDICTED: G protein pathway suppressor 2 isoform X1 [Monodelphis domestica]" . . . . . 100.00 325 97.37 100.00 1.57e-12 . . . . 17271 1 14 no REF XP_002718857 . "PREDICTED: G protein pathway suppressor 2 isoform X2 [Oryctolagus cuniculus]" . . . . . 100.00 327 97.37 100.00 1.44e-12 . . . . 17271 1 15 no REF XP_002748019 . "PREDICTED: G protein pathway suppressor 2 isoform X2 [Callithrix jacchus]" . . . . . 100.00 327 97.37 100.00 1.38e-12 . . . . 17271 1 16 no SP Q13227 . "RecName: Full=G protein pathway suppressor 2; Short=GPS-2" . . . . . 100.00 327 100.00 100.00 5.20e-13 . . . . 17271 1 17 no TPG DAA18863 . "TPA: G protein pathway suppressor 2 [Bos taurus]" . . . . . 100.00 327 97.37 100.00 1.41e-12 . . . . 17271 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 . LYS . 17271 1 2 . LYS . 17271 1 3 . GLU . 17271 1 4 . MET . 17271 1 5 . GLU . 17271 1 6 . GLU . 17271 1 7 . ARG . 17271 1 8 . MET . 17271 1 9 . SER . 17271 1 10 . LEU . 17271 1 11 . GLU . 17271 1 12 . GLU . 17271 1 13 . THR . 17271 1 14 . LYS . 17271 1 15 . GLU . 17271 1 16 . GLN . 17271 1 17 . ILE . 17271 1 18 . LEU . 17271 1 19 . LYS . 17271 1 20 . LEU . 17271 1 21 . GLU . 17271 1 22 . GLU . 17271 1 23 . LYS . 17271 1 24 . LEU . 17271 1 25 . LEU . 17271 1 26 . ALA . 17271 1 27 . LEU . 17271 1 28 . GLN . 17271 1 29 . GLU . 17271 1 30 . GLU . 17271 1 31 . LYS . 17271 1 32 . HIS . 17271 1 33 . GLN . 17271 1 34 . LEU . 17271 1 35 . PHE . 17271 1 36 . LEU . 17271 1 37 . GLN . 17271 1 38 . LEU . 17271 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 . LYS 1 1 17271 1 . LYS 2 2 17271 1 . GLU 3 3 17271 1 . MET 4 4 17271 1 . GLU 5 5 17271 1 . GLU 6 6 17271 1 . ARG 7 7 17271 1 . MET 8 8 17271 1 . SER 9 9 17271 1 . LEU 10 10 17271 1 . GLU 11 11 17271 1 . GLU 12 12 17271 1 . THR 13 13 17271 1 . LYS 14 14 17271 1 . GLU 15 15 17271 1 . GLN 16 16 17271 1 . ILE 17 17 17271 1 . LEU 18 18 17271 1 . LYS 19 19 17271 1 . LEU 20 20 17271 1 . GLU 21 21 17271 1 . GLU 22 22 17271 1 . LYS 23 23 17271 1 . LEU 24 24 17271 1 . LEU 25 25 17271 1 . ALA 26 26 17271 1 . LEU 27 27 17271 1 . GLN 28 28 17271 1 . GLU 29 29 17271 1 . GLU 30 30 17271 1 . LYS 31 31 17271 1 . HIS 32 32 17271 1 . GLN 33 33 17271 1 . LEU 34 34 17271 1 . PHE 35 35 17271 1 . LEU 36 36 17271 1 . GLN 37 37 17271 1 . LEU 38 38 17271 1 stop_ save_ save_SMRT_167-207 _Entity.Sf_category entity _Entity.Sf_framecode SMRT_167-207 _Entity.Entry_ID 17271 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SMRT_167-207 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GLSKEELIQNMDRVDREITM VEQQISKLKKKQQQLEEEAA KP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 42 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4948.712 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 2L5G . "Co-Ordinates And 1h, 13c And 15n Chemical Shift Assignments For The Complex Of Gps2 53-90 And Smrt 167-207" . . . . . 100.00 42 100.00 100.00 1.09e-18 . . . . 17271 2 2 no DBJ BAD92326 . "nuclear receptor co-repressor 2 variant [Homo sapiens]" . . . . . 97.62 1469 100.00 100.00 5.85e-16 . . . . 17271 2 3 no DBJ BAG72661 . "nuclear receptor co-repressor 2 [synthetic construct]" . . . . . 97.62 2450 100.00 100.00 2.62e-16 . . . . 17271 2 4 no EMBL CAJ82276 . "nuclear receptor co-repressor 2 [Xenopus (Silurana) tropicalis]" . . . . . 97.62 481 97.56 97.56 9.10e-15 . . . . 17271 2 5 no GB AAD20944 . "silencing mediator of retinoic acid and thyroid hormone receptor alpha [Mus musculus]" . . . . . 97.62 2473 100.00 100.00 2.89e-16 . . . . 17271 2 6 no GB AAD20946 . "silencing mediator of retinoic acid and thyroid hormone receptor alpha [Homo sapiens]" . . . . . 97.62 2517 100.00 100.00 2.76e-16 . . . . 17271 2 7 no GB AAD22973 . "silencing mediator of retinoic acid and thyroid hormone receptor extended isoform [Homo sapiens]" . . . . . 97.62 2507 100.00 100.00 2.68e-16 . . . . 17271 2 8 no GB AAI29557 . "Unknown (protein for IMAGE:8463635) [Xenopus laevis]" . . . . . 97.62 507 97.56 97.56 8.74e-15 . . . . 17271 2 9 no GB AAI56550 . "Nuclear receptor co-repressor 2, partial [synthetic construct]" . . . . . 97.62 2507 100.00 100.00 3.07e-16 . . . . 17271 2 10 no REF NP_001007033 . "nuclear receptor corepressor 2 [Danio rerio]" . . . . . 97.62 2315 97.56 100.00 9.58e-16 . . . . 17271 2 11 no REF NP_001038041 . "nuclear receptor corepressor 2 [Sus scrofa]" . . . . . 97.62 2471 100.00 100.00 2.95e-16 . . . . 17271 2 12 no REF NP_001070729 . "nuclear receptor corepressor 2 isoform 2 [Homo sapiens]" . . . . . 97.62 2458 100.00 100.00 2.67e-16 . . . . 17271 2 13 no REF NP_001084492 . "nuclear receptor corepressor 2 [Xenopus laevis]" . . . . . 97.62 2457 97.56 97.56 6.53e-15 . . . . 17271 2 14 no REF NP_001101804 . "nuclear receptor corepressor 2 [Rattus norvegicus]" . . . . . 97.62 2472 100.00 100.00 3.18e-16 . . . . 17271 2 15 no SP Q9WU42 . "RecName: Full=Nuclear receptor corepressor 2; Short=N-CoR2; AltName: Full=Silencing mediator of retinoic acid and thyroid hormo" . . . . . 97.62 2472 100.00 100.00 3.00e-16 . . . . 17271 2 16 no SP Q9Y618 . "RecName: Full=Nuclear receptor corepressor 2; Short=N-CoR2; AltName: Full=CTG repeat protein 26; AltName: Full=SMAP270; AltName" . . . . . 97.62 2525 100.00 100.00 2.79e-16 . . . . 17271 2 17 no TPG DAA20733 . "TPA: nuclear receptor co-repressor 2-like [Bos taurus]" . . . . . 97.62 2766 100.00 100.00 1.78e-13 . . . . 17271 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 . GLY . 17271 2 2 . LEU . 17271 2 3 . SER . 17271 2 4 . LYS . 17271 2 5 . GLU . 17271 2 6 . GLU . 17271 2 7 . LEU . 17271 2 8 . ILE . 17271 2 9 . GLN . 17271 2 10 . ASN . 17271 2 11 . MET . 17271 2 12 . ASP . 17271 2 13 . ARG . 17271 2 14 . VAL . 17271 2 15 . ASP . 17271 2 16 . ARG . 17271 2 17 . GLU . 17271 2 18 . ILE . 17271 2 19 . THR . 17271 2 20 . MET . 17271 2 21 . VAL . 17271 2 22 . GLU . 17271 2 23 . GLN . 17271 2 24 . GLN . 17271 2 25 . ILE . 17271 2 26 . SER . 17271 2 27 . LYS . 17271 2 28 . LEU . 17271 2 29 . LYS . 17271 2 30 . LYS . 17271 2 31 . LYS . 17271 2 32 . GLN . 17271 2 33 . GLN . 17271 2 34 . GLN . 17271 2 35 . LEU . 17271 2 36 . GLU . 17271 2 37 . GLU . 17271 2 38 . GLU . 17271 2 39 . ALA . 17271 2 40 . ALA . 17271 2 41 . LYS . 17271 2 42 . PRO . 17271 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17271 2 . LEU 2 2 17271 2 . SER 3 3 17271 2 . LYS 4 4 17271 2 . GLU 5 5 17271 2 . GLU 6 6 17271 2 . LEU 7 7 17271 2 . ILE 8 8 17271 2 . GLN 9 9 17271 2 . ASN 10 10 17271 2 . MET 11 11 17271 2 . ASP 12 12 17271 2 . ARG 13 13 17271 2 . VAL 14 14 17271 2 . ASP 15 15 17271 2 . ARG 16 16 17271 2 . GLU 17 17 17271 2 . ILE 18 18 17271 2 . THR 19 19 17271 2 . MET 20 20 17271 2 . VAL 21 21 17271 2 . GLU 22 22 17271 2 . GLN 23 23 17271 2 . GLN 24 24 17271 2 . ILE 25 25 17271 2 . SER 26 26 17271 2 . LYS 27 27 17271 2 . LEU 28 28 17271 2 . LYS 29 29 17271 2 . LYS 30 30 17271 2 . LYS 31 31 17271 2 . GLN 32 32 17271 2 . GLN 33 33 17271 2 . GLN 34 34 17271 2 . LEU 35 35 17271 2 . GLU 36 36 17271 2 . GLU 37 37 17271 2 . GLU 38 38 17271 2 . ALA 39 39 17271 2 . ALA 40 40 17271 2 . LYS 41 41 17271 2 . PRO 42 42 17271 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 17271 _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 $GPS2_53-90 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17271 1 2 2 $SMRT_167-207 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17271 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 17271 _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 $GPS2_53-90 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pET13a . . . . . . 17271 1 2 2 $SMRT_167-207 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pET41 . . . . . . 17271 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17271 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM deuterated Tris pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GPS2_53-90 '[U-98% 13C; U-98% 15N]' . . 1 $GPS2_53-90 . . 0.4 . . mM . . . . 17271 1 2 SMRT_167-207 '[U-98% 13C; U-98% 15N]' . . 2 $SMRT_167-207 . . 0.4 . . mM . . . . 17271 1 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 17271 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17271 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17271 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17271 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM deuterated Tris pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SMRT_167-207 '[U-98% 13C; U-98% 15N]' . . 1 $GPS2_53-90 . . 0.4 . . mM . . . . 17271 2 2 GPS2_53-90 'natural abundance' . . 2 $SMRT_167-207 . . 0.4 . . mM . . . . 17271 2 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 17271 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17271 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17271 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17271 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM deuterated Tris pH 6.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GPS2_53-90 '[U-98% 13C; U-98% 15N]' . . 1 $GPS2_53-90 . . 0.4 . . mM . . . . 17271 3 2 SMRT_167-207 'natural abundance' . . 2 $SMRT_167-207 . . 0.4 . . mM . . . . 17271 3 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 17271 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17271 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17271 3 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 17271 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 17271 1 pH 6.5 . pH 17271 1 pressure 1 . atm 17271 1 temperature 285 . K 17271 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17271 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.19 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17271 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17271 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17271 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17271 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17271 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 17271 _Software.ID 3 _Software.Name Analysis _Software.Version 1.0.15 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17271 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17271 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 17271 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 17271 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 17271 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17271 _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 Avance . 800 . . . 17271 1 2 spectrometer_2 Bruker DMX . 600 . . . 17271 1 3 spectrometer_3 Bruker DRX . 500 . . . 17271 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 17271 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 3 '2D 1H-13C HSQC CT aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 4 '2D 1H-13C HSQC CT aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 6 '2D 1H-1H NOESY (filtered to remove 15N-coupled signals in F1 and F2)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 12 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 13 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 16 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 18 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 19 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 20 '2D 1H-1H NOESY filtered to retain only interchain cross-peaks' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 21 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 22 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 23 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 24 '2D 1H-1H NOESY filtered to retain only interchain cross-peaks' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 1 25 '3D HNHAHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17271 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 17271 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17271 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17271 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17271 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_GPS2_assignments _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode GPS2_assignments _Assigned_chem_shift_list.Entry_ID 17271 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17271 1 2 '2D 1H-13C HSQC' . . . 17271 1 3 '2D 1H-13C HSQC CT aliphatic' . . . 17271 1 4 '2D 1H-13C HSQC CT aromatic' . . . 17271 1 7 '3D HNCACB' . . . 17271 1 8 '3D CBCA(CO)NH' . . . 17271 1 10 '3D HBHA(CO)NH' . . . 17271 1 11 '3D HCCH-COSY' . . . 17271 1 12 '3D CCH-TOCSY' . . . 17271 1 13 '3D C(CO)NH' . . . 17271 1 25 '3D HNHAHB' . . . 17271 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 LYS HA H 1 4.240 0.01 . 1 . . . . 1 LYS HA . 17271 1 2 . 1 1 1 1 LYS HB2 H 1 1.714 0.01 . 2 . . . . 1 LYS HB2 . 17271 1 3 . 1 1 1 1 LYS HB3 H 1 1.674 0.01 . 2 . . . . 1 LYS HB3 . 17271 1 4 . 1 1 1 1 LYS HD2 H 1 1.573 0.01 . 1 . . . . 1 LYS HD2 . 17271 1 5 . 1 1 1 1 LYS HD3 H 1 1.573 0.01 . 1 . . . . 1 LYS HD3 . 17271 1 6 . 1 1 1 1 LYS HE2 H 1 2.881 0.01 . 1 . . . . 1 LYS HE2 . 17271 1 7 . 1 1 1 1 LYS HE3 H 1 2.881 0.01 . 1 . . . . 1 LYS HE3 . 17271 1 8 . 1 1 1 1 LYS HG2 H 1 1.321 0.01 . 1 . . . . 1 LYS HG2 . 17271 1 9 . 1 1 1 1 LYS HG3 H 1 1.321 0.01 . 1 . . . . 1 LYS HG3 . 17271 1 10 . 1 1 1 1 LYS CA C 13 56.874 0.2 . 1 . . . . 1 LYS CA . 17271 1 11 . 1 1 1 1 LYS CB C 13 33.499 0.2 . 1 . . . . 1 LYS CB . 17271 1 12 . 1 1 1 1 LYS CD C 13 29.579 0.2 . 1 . . . . 1 LYS CD . 17271 1 13 . 1 1 1 1 LYS CE C 13 42.457 0.2 . 1 . . . . 1 LYS CE . 17271 1 14 . 1 1 1 1 LYS CG C 13 25.019 0.2 . 1 . . . . 1 LYS CG . 17271 1 15 . 1 1 2 2 LYS H H 1 8.548 0.01 . 1 . . . . 2 LYS H . 17271 1 16 . 1 1 2 2 LYS HA H 1 4.161 0.01 . 1 . . . . 2 LYS HA . 17271 1 17 . 1 1 2 2 LYS HB2 H 1 1.690 0.01 . 2 . . . . 2 LYS HB2 . 17271 1 18 . 1 1 2 2 LYS HB3 H 1 1.681 0.01 . 2 . . . . 2 LYS HB3 . 17271 1 19 . 1 1 2 2 LYS HD2 H 1 1.569 0.01 . 1 . . . . 2 LYS HD2 . 17271 1 20 . 1 1 2 2 LYS HD3 H 1 1.569 0.01 . 1 . . . . 2 LYS HD3 . 17271 1 21 . 1 1 2 2 LYS HE2 H 1 2.891 0.01 . 1 . . . . 2 LYS HE2 . 17271 1 22 . 1 1 2 2 LYS HE3 H 1 2.891 0.01 . 1 . . . . 2 LYS HE3 . 17271 1 23 . 1 1 2 2 LYS HG2 H 1 1.312 0.01 . 1 . . . . 2 LYS HG2 . 17271 1 24 . 1 1 2 2 LYS HG3 H 1 1.325 0.01 . 1 . . . . 2 LYS HG3 . 17271 1 25 . 1 1 2 2 LYS CA C 13 57.124 0.2 . 1 . . . . 2 LYS CA . 17271 1 26 . 1 1 2 2 LYS CB C 13 33.352 0.2 . 1 . . . . 2 LYS CB . 17271 1 27 . 1 1 2 2 LYS CD C 13 29.515 0.2 . 1 . . . . 2 LYS CD . 17271 1 28 . 1 1 2 2 LYS CE C 13 42.504 0.2 . 1 . . . . 2 LYS CE . 17271 1 29 . 1 1 2 2 LYS CG C 13 25.068 0.2 . 1 . . . . 2 LYS CG . 17271 1 30 . 1 1 2 2 LYS N N 15 124.329 0.2 . 1 . . . . 2 LYS N . 17271 1 31 . 1 1 3 3 GLU H H 1 8.628 0.01 . 1 . . . . 3 GLU H . 17271 1 32 . 1 1 3 3 GLU HA H 1 4.141 0.01 . 1 . . . . 3 GLU HA . 17271 1 33 . 1 1 3 3 GLU HB2 H 1 1.853 0.01 . 2 . . . . 3 GLU HB2 . 17271 1 34 . 1 1 3 3 GLU HB3 H 1 1.954 0.01 . 2 . . . . 3 GLU HB3 . 17271 1 35 . 1 1 3 3 GLU HG2 H 1 2.185 0.01 . 1 . . . . 3 GLU HG2 . 17271 1 36 . 1 1 3 3 GLU HG3 H 1 2.185 0.01 . 1 . . . . 3 GLU HG3 . 17271 1 37 . 1 1 3 3 GLU CA C 13 57.446 0.2 . 1 . . . . 3 GLU CA . 17271 1 38 . 1 1 3 3 GLU N N 15 121.759 0.2 . 1 . . . . 3 GLU N . 17271 1 39 . 1 1 4 4 MET H H 1 8.280 0.01 . 1 . . . . 4 MET H . 17271 1 40 . 1 1 4 4 MET HA H 1 4.308 0.01 . 1 . . . . 4 MET HA . 17271 1 41 . 1 1 4 4 MET HB2 H 1 1.929 0.01 . 2 . . . . 4 MET HB2 . 17271 1 42 . 1 1 4 4 MET HB3 H 1 1.993 0.01 . 2 . . . . 4 MET HB3 . 17271 1 43 . 1 1 4 4 MET HG2 H 1 2.427 0.01 . 2 . . . . 4 MET HG2 . 17271 1 44 . 1 1 4 4 MET HG3 H 1 2.501 0.01 . 2 . . . . 4 MET HG3 . 17271 1 45 . 1 1 4 4 MET CA C 13 56.172 0.2 . 1 . . . . 4 MET CA . 17271 1 46 . 1 1 4 4 MET CB C 13 32.993 0.2 . 1 . . . . 4 MET CB . 17271 1 47 . 1 1 4 4 MET CG C 13 32.385 0.2 . 1 . . . . 4 MET CG . 17271 1 48 . 1 1 4 4 MET N N 15 120.126 0.2 . 1 . . . . 4 MET N . 17271 1 49 . 1 1 5 5 GLU H H 1 8.305 0.01 . 1 . . . . 5 GLU H . 17271 1 50 . 1 1 5 5 GLU HA H 1 4.110 0.01 . 1 . . . . 5 GLU HA . 17271 1 51 . 1 1 5 5 GLU HB2 H 1 1.881 0.01 . 2 . . . . 5 GLU HB2 . 17271 1 52 . 1 1 5 5 GLU HB3 H 1 1.953 0.01 . 2 . . . . 5 GLU HB3 . 17271 1 53 . 1 1 5 5 GLU HG2 H 1 2.152 0.01 . 1 . . . . 5 GLU HG2 . 17271 1 54 . 1 1 5 5 GLU HG3 H 1 2.152 0.01 . 1 . . . . 5 GLU HG3 . 17271 1 55 . 1 1 5 5 GLU CA C 13 57.409 0.2 . 1 . . . . 5 GLU CA . 17271 1 56 . 1 1 5 5 GLU CB C 13 30.574 0.2 . 1 . . . . 5 GLU CB . 17271 1 57 . 1 1 5 5 GLU N N 15 121.625 0.2 . 1 . . . . 5 GLU N . 17271 1 58 . 1 1 6 6 GLU H H 1 8.395 0.01 . 1 . . . . 6 GLU H . 17271 1 59 . 1 1 6 6 GLU HA H 1 4.106 0.01 . 1 . . . . 6 GLU HA . 17271 1 60 . 1 1 6 6 GLU HB2 H 1 1.867 0.01 . 2 . . . . 6 GLU HB2 . 17271 1 61 . 1 1 6 6 GLU HB3 H 1 1.940 0.01 . 2 . . . . 6 GLU HB3 . 17271 1 62 . 1 1 6 6 GLU HG2 H 1 2.151 0.01 . 2 . . . . 6 GLU HG2 . 17271 1 63 . 1 1 6 6 GLU HG3 H 1 2.203 0.01 . 2 . . . . 6 GLU HG3 . 17271 1 64 . 1 1 6 6 GLU CA C 13 57.331 0.2 . 1 . . . . 6 GLU CA . 17271 1 65 . 1 1 6 6 GLU CB C 13 30.344 0.2 . 1 . . . . 6 GLU CB . 17271 1 66 . 1 1 6 6 GLU N N 15 121.342 0.2 . 1 . . . . 6 GLU N . 17271 1 67 . 1 1 7 7 ARG H H 1 8.258 0.01 . 1 . . . . 7 ARG H . 17271 1 68 . 1 1 7 7 ARG HA H 1 4.226 0.01 . 1 . . . . 7 ARG HA . 17271 1 69 . 1 1 7 7 ARG HB2 H 1 1.676 0.01 . 2 . . . . 7 ARG HB2 . 17271 1 70 . 1 1 7 7 ARG HB3 H 1 1.762 0.01 . 2 . . . . 7 ARG HB3 . 17271 1 71 . 1 1 7 7 ARG HD2 H 1 3.085 0.01 . 1 . . . . 7 ARG HD2 . 17271 1 72 . 1 1 7 7 ARG HD3 H 1 3.086 0.01 . 1 . . . . 7 ARG HD3 . 17271 1 73 . 1 1 7 7 ARG HE H 1 7.183 0.01 . 1 . . . . 7 ARG HE . 17271 1 74 . 1 1 7 7 ARG HG2 H 1 1.514 0.01 . 1 . . . . 7 ARG HG2 . 17271 1 75 . 1 1 7 7 ARG HG3 H 1 1.514 0.01 . 1 . . . . 7 ARG HG3 . 17271 1 76 . 1 1 7 7 ARG CA C 13 56.622 0.2 . 1 . . . . 7 ARG CA . 17271 1 77 . 1 1 7 7 ARG CB C 13 31.008 0.2 . 1 . . . . 7 ARG CB . 17271 1 78 . 1 1 7 7 ARG CD C 13 43.755 0.2 . 1 . . . . 7 ARG CD . 17271 1 79 . 1 1 7 7 ARG CG C 13 27.158 0.2 . 1 . . . . 7 ARG CG . 17271 1 80 . 1 1 7 7 ARG N N 15 121.883 0.2 . 1 . . . . 7 ARG N . 17271 1 81 . 1 1 7 7 ARG NE N 15 88.150 0.2 . 1 . . . . 7 ARG NE . 17271 1 82 . 1 1 8 8 MET H H 1 8.035 0.01 . 1 . . . . 8 MET H . 17271 1 83 . 1 1 8 8 MET HA H 1 4.413 0.01 . 1 . . . . 8 MET HA . 17271 1 84 . 1 1 8 8 MET HB2 H 1 1.856 0.01 . 2 . . . . 8 MET HB2 . 17271 1 85 . 1 1 8 8 MET HB3 H 1 1.943 0.01 . 2 . . . . 8 MET HB3 . 17271 1 86 . 1 1 8 8 MET HG2 H 1 2.438 0.01 . 1 . . . . 8 MET HG2 . 17271 1 87 . 1 1 8 8 MET HG3 H 1 2.476 0.01 . 1 . . . . 8 MET HG3 . 17271 1 88 . 1 1 8 8 MET CA C 13 56.447 0.2 . 1 . . . . 8 MET CA . 17271 1 89 . 1 1 8 8 MET CB C 13 35.092 0.2 . 1 . . . . 8 MET CB . 17271 1 90 . 1 1 8 8 MET CG C 13 32.261 0.2 . 1 . . . . 8 MET CG . 17271 1 91 . 1 1 8 8 MET N N 15 121.939 0.2 . 1 . . . . 8 MET N . 17271 1 92 . 1 1 9 9 SER H H 1 8.741 0.01 . 1 . . . . 9 SER H . 17271 1 93 . 1 1 9 9 SER HA H 1 4.434 0.01 . 1 . . . . 9 SER HA . 17271 1 94 . 1 1 9 9 SER HB2 H 1 3.927 0.01 . 2 . . . . 9 SER HB2 . 17271 1 95 . 1 1 9 9 SER HB3 H 1 4.247 0.01 . 2 . . . . 9 SER HB3 . 17271 1 96 . 1 1 9 9 SER CA C 13 57.900 0.2 . 1 . . . . 9 SER CA . 17271 1 97 . 1 1 9 9 SER CB C 13 65.709 0.2 . 1 . . . . 9 SER CB . 17271 1 98 . 1 1 9 9 SER N N 15 117.544 0.2 . 1 . . . . 9 SER N . 17271 1 99 . 1 1 10 10 LEU H H 1 9.193 0.01 . 1 . . . . 10 LEU H . 17271 1 100 . 1 1 10 10 LEU HA H 1 3.917 0.01 . 1 . . . . 10 LEU HA . 17271 1 101 . 1 1 10 10 LEU HB2 H 1 1.517 0.01 . 2 . . . . 10 LEU HB2 . 17271 1 102 . 1 1 10 10 LEU HB3 H 1 1.819 0.01 . 2 . . . . 10 LEU HB3 . 17271 1 103 . 1 1 10 10 LEU HD11 H 1 0.878 0.01 . 2 . . . . 10 LEU HD11 . 17271 1 104 . 1 1 10 10 LEU HD12 H 1 0.878 0.01 . 2 . . . . 10 LEU HD12 . 17271 1 105 . 1 1 10 10 LEU HD13 H 1 0.878 0.01 . 2 . . . . 10 LEU HD13 . 17271 1 106 . 1 1 10 10 LEU HD21 H 1 0.959 0.01 . 2 . . . . 10 LEU HD21 . 17271 1 107 . 1 1 10 10 LEU HD22 H 1 0.959 0.01 . 2 . . . . 10 LEU HD22 . 17271 1 108 . 1 1 10 10 LEU HD23 H 1 0.959 0.01 . 2 . . . . 10 LEU HD23 . 17271 1 109 . 1 1 10 10 LEU CA C 13 59.182 0.2 . 1 . . . . 10 LEU CA . 17271 1 110 . 1 1 10 10 LEU CB C 13 41.696 0.2 . 1 . . . . 10 LEU CB . 17271 1 111 . 1 1 10 10 LEU CD1 C 13 26.289 0.2 . 2 . . . . 10 LEU CD1 . 17271 1 112 . 1 1 10 10 LEU CD2 C 13 24.574 0.2 . 2 . . . . 10 LEU CD2 . 17271 1 113 . 1 1 10 10 LEU N N 15 125.516 0.2 . 1 . . . . 10 LEU N . 17271 1 114 . 1 1 11 11 GLU H H 1 8.767 0.01 . 1 . . . . 11 GLU H . 17271 1 115 . 1 1 11 11 GLU HA H 1 3.836 0.01 . 1 . . . . 11 GLU HA . 17271 1 116 . 1 1 11 11 GLU HB2 H 1 1.942 0.01 . 1 . . . . 11 GLU HB2 . 17271 1 117 . 1 1 11 11 GLU HB3 H 1 1.946 0.01 . 1 . . . . 11 GLU HB3 . 17271 1 118 . 1 1 11 11 GLU HG2 H 1 2.253 0.01 . 2 . . . . 11 GLU HG2 . 17271 1 119 . 1 1 11 11 GLU HG3 H 1 2.335 0.01 . 2 . . . . 11 GLU HG3 . 17271 1 120 . 1 1 11 11 GLU CA C 13 60.707 0.2 . 1 . . . . 11 GLU CA . 17271 1 121 . 1 1 11 11 GLU CB C 13 29.144 0.2 . 1 . . . . 11 GLU CB . 17271 1 122 . 1 1 11 11 GLU N N 15 118.542 0.2 . 1 . . . . 11 GLU N . 17271 1 123 . 1 1 12 12 GLU H H 1 7.981 0.01 . 1 . . . . 12 GLU H . 17271 1 124 . 1 1 12 12 GLU HA H 1 3.970 0.01 . 1 . . . . 12 GLU HA . 17271 1 125 . 1 1 12 12 GLU HB2 H 1 1.932 0.01 . 2 . . . . 12 GLU HB2 . 17271 1 126 . 1 1 12 12 GLU HB3 H 1 2.091 0.01 . 2 . . . . 12 GLU HB3 . 17271 1 127 . 1 1 12 12 GLU HG2 H 1 2.248 0.01 . 1 . . . . 12 GLU HG2 . 17271 1 128 . 1 1 12 12 GLU HG3 H 1 2.248 0.01 . 1 . . . . 12 GLU HG3 . 17271 1 129 . 1 1 12 12 GLU CA C 13 59.446 0.2 . 1 . . . . 12 GLU CA . 17271 1 130 . 1 1 12 12 GLU CB C 13 30.150 0.2 . 1 . . . . 12 GLU CB . 17271 1 131 . 1 1 12 12 GLU N N 15 119.559 0.2 . 1 . . . . 12 GLU N . 17271 1 132 . 1 1 13 13 THR H H 1 8.170 0.01 . 1 . . . . 13 THR H . 17271 1 133 . 1 1 13 13 THR HA H 1 3.701 0.01 . 1 . . . . 13 THR HA . 17271 1 134 . 1 1 13 13 THR HB H 1 4.226 0.01 . 1 . . . . 13 THR HB . 17271 1 135 . 1 1 13 13 THR HG21 H 1 1.074 0.01 . 1 . . . . 13 THR HG21 . 17271 1 136 . 1 1 13 13 THR HG22 H 1 1.074 0.01 . 1 . . . . 13 THR HG22 . 17271 1 137 . 1 1 13 13 THR HG23 H 1 1.074 0.01 . 1 . . . . 13 THR HG23 . 17271 1 138 . 1 1 13 13 THR CA C 13 68.240 0.2 . 1 . . . . 13 THR CA . 17271 1 139 . 1 1 13 13 THR CB C 13 68.672 0.2 . 1 . . . . 13 THR CB . 17271 1 140 . 1 1 13 13 THR CG2 C 13 22.274 0.2 . 1 . . . . 13 THR CG2 . 17271 1 141 . 1 1 13 13 THR N N 15 117.621 0.2 . 1 . . . . 13 THR N . 17271 1 142 . 1 1 14 14 LYS H H 1 8.001 0.01 . 1 . . . . 14 LYS H . 17271 1 143 . 1 1 14 14 LYS HA H 1 3.719 0.01 . 1 . . . . 14 LYS HA . 17271 1 144 . 1 1 14 14 LYS HB2 H 1 1.773 0.01 . 1 . . . . 14 LYS HB2 . 17271 1 145 . 1 1 14 14 LYS HB3 H 1 1.773 0.01 . 1 . . . . 14 LYS HB3 . 17271 1 146 . 1 1 14 14 LYS HD2 H 1 1.538 0.01 . 1 . . . . 14 LYS HD2 . 17271 1 147 . 1 1 14 14 LYS HD3 H 1 1.538 0.01 . 1 . . . . 14 LYS HD3 . 17271 1 148 . 1 1 14 14 LYS HE2 H 1 2.692 0.01 . 2 . . . . 14 LYS HE2 . 17271 1 149 . 1 1 14 14 LYS HE3 H 1 2.769 0.01 . 2 . . . . 14 LYS HE3 . 17271 1 150 . 1 1 14 14 LYS HG2 H 1 1.202 0.01 . 2 . . . . 14 LYS HG2 . 17271 1 151 . 1 1 14 14 LYS HG3 H 1 1.501 0.01 . 2 . . . . 14 LYS HG3 . 17271 1 152 . 1 1 14 14 LYS CA C 13 60.996 0.2 . 1 . . . . 14 LYS CA . 17271 1 153 . 1 1 14 14 LYS CB C 13 32.742 0.2 . 1 . . . . 14 LYS CB . 17271 1 154 . 1 1 14 14 LYS CD C 13 30.263 0.2 . 1 . . . . 14 LYS CD . 17271 1 155 . 1 1 14 14 LYS CE C 13 42.418 0.2 . 1 . . . . 14 LYS CE . 17271 1 156 . 1 1 14 14 LYS CG C 13 26.360 0.2 . 1 . . . . 14 LYS CG . 17271 1 157 . 1 1 14 14 LYS N N 15 119.569 0.2 . 1 . . . . 14 LYS N . 17271 1 158 . 1 1 15 15 GLU H H 1 7.845 0.01 . 1 . . . . 15 GLU H . 17271 1 159 . 1 1 15 15 GLU HA H 1 3.962 0.01 . 1 . . . . 15 GLU HA . 17271 1 160 . 1 1 15 15 GLU HB2 H 1 2.050 0.01 . 1 . . . . 15 GLU HB2 . 17271 1 161 . 1 1 15 15 GLU HB3 H 1 2.050 0.01 . 1 . . . . 15 GLU HB3 . 17271 1 162 . 1 1 15 15 GLU HG2 H 1 2.184 0.01 . 2 . . . . 15 GLU HG2 . 17271 1 163 . 1 1 15 15 GLU HG3 H 1 2.321 0.01 . 2 . . . . 15 GLU HG3 . 17271 1 164 . 1 1 15 15 GLU CA C 13 59.720 0.2 . 1 . . . . 15 GLU CA . 17271 1 165 . 1 1 15 15 GLU CB C 13 29.733 0.2 . 1 . . . . 15 GLU CB . 17271 1 166 . 1 1 15 15 GLU N N 15 119.342 0.2 . 1 . . . . 15 GLU N . 17271 1 167 . 1 1 16 16 GLN H H 1 8.151 0.01 . 1 . . . . 16 GLN H . 17271 1 168 . 1 1 16 16 GLN HA H 1 3.980 0.01 . 1 . . . . 16 GLN HA . 17271 1 169 . 1 1 16 16 GLN HB2 H 1 2.032 0.01 . 2 . . . . 16 GLN HB2 . 17271 1 170 . 1 1 16 16 GLN HB3 H 1 2.121 0.01 . 2 . . . . 16 GLN HB3 . 17271 1 171 . 1 1 16 16 GLN HE21 H 1 7.398 0.01 . 1 . . . . 16 GLN HE21 . 17271 1 172 . 1 1 16 16 GLN HE22 H 1 6.764 0.01 . 1 . . . . 16 GLN HE22 . 17271 1 173 . 1 1 16 16 GLN HG2 H 1 2.402 0.01 . 1 . . . . 16 GLN HG2 . 17271 1 174 . 1 1 16 16 GLN HG3 H 1 2.402 0.01 . 1 . . . . 16 GLN HG3 . 17271 1 175 . 1 1 16 16 GLN CA C 13 59.334 0.2 . 1 . . . . 16 GLN CA . 17271 1 176 . 1 1 16 16 GLN CB C 13 28.586 0.2 . 1 . . . . 16 GLN CB . 17271 1 177 . 1 1 16 16 GLN N N 15 118.963 0.2 . 1 . . . . 16 GLN N . 17271 1 178 . 1 1 16 16 GLN NE2 N 15 111.155 0.2 . 1 . . . . 16 GLN NE2 . 17271 1 179 . 1 1 17 17 ILE H H 1 8.145 0.01 . 1 . . . . 17 ILE H . 17271 1 180 . 1 1 17 17 ILE HA H 1 3.389 0.01 . 1 . . . . 17 ILE HA . 17271 1 181 . 1 1 17 17 ILE HB H 1 1.792 0.01 . 1 . . . . 17 ILE HB . 17271 1 182 . 1 1 17 17 ILE HD11 H 1 0.691 0.01 . 1 . . . . 17 ILE HD11 . 17271 1 183 . 1 1 17 17 ILE HD12 H 1 0.691 0.01 . 1 . . . . 17 ILE HD12 . 17271 1 184 . 1 1 17 17 ILE HD13 H 1 0.691 0.01 . 1 . . . . 17 ILE HD13 . 17271 1 185 . 1 1 17 17 ILE HG21 H 1 0.789 0.01 . 1 . . . . 17 ILE HG21 . 17271 1 186 . 1 1 17 17 ILE HG22 H 1 0.789 0.01 . 1 . . . . 17 ILE HG22 . 17271 1 187 . 1 1 17 17 ILE HG23 H 1 0.789 0.01 . 1 . . . . 17 ILE HG23 . 17271 1 188 . 1 1 17 17 ILE CA C 13 67.356 0.2 . 1 . . . . 17 ILE CA . 17271 1 189 . 1 1 17 17 ILE CB C 13 38.621 0.2 . 1 . . . . 17 ILE CB . 17271 1 190 . 1 1 17 17 ILE CD1 C 13 14.871 0.2 . 1 . . . . 17 ILE CD1 . 17271 1 191 . 1 1 17 17 ILE CG2 C 13 18.103 0.2 . 1 . . . . 17 ILE CG2 . 17271 1 192 . 1 1 17 17 ILE N N 15 119.893 0.2 . 1 . . . . 17 ILE N . 17271 1 193 . 1 1 18 18 LEU H H 1 7.594 0.01 . 1 . . . . 18 LEU H . 17271 1 194 . 1 1 18 18 LEU HA H 1 4.053 0.01 . 1 . . . . 18 LEU HA . 17271 1 195 . 1 1 18 18 LEU HB2 H 1 1.584 0.01 . 2 . . . . 18 LEU HB2 . 17271 1 196 . 1 1 18 18 LEU HB3 H 1 1.775 0.01 . 2 . . . . 18 LEU HB3 . 17271 1 197 . 1 1 18 18 LEU HD11 H 1 0.809 0.01 . 2 . . . . 18 LEU HD11 . 17271 1 198 . 1 1 18 18 LEU HD12 H 1 0.809 0.01 . 2 . . . . 18 LEU HD12 . 17271 1 199 . 1 1 18 18 LEU HD13 H 1 0.809 0.01 . 2 . . . . 18 LEU HD13 . 17271 1 200 . 1 1 18 18 LEU HD21 H 1 0.833 0.01 . 2 . . . . 18 LEU HD21 . 17271 1 201 . 1 1 18 18 LEU HD22 H 1 0.833 0.01 . 2 . . . . 18 LEU HD22 . 17271 1 202 . 1 1 18 18 LEU HD23 H 1 0.833 0.01 . 2 . . . . 18 LEU HD23 . 17271 1 203 . 1 1 18 18 LEU CA C 13 58.853 0.2 . 1 . . . . 18 LEU CA . 17271 1 204 . 1 1 18 18 LEU CB C 13 41.991 0.2 . 1 . . . . 18 LEU CB . 17271 1 205 . 1 1 18 18 LEU CD1 C 13 24.263 0.2 . 2 . . . . 18 LEU CD1 . 17271 1 206 . 1 1 18 18 LEU CD2 C 13 25.451 0.2 . 2 . . . . 18 LEU CD2 . 17271 1 207 . 1 1 18 18 LEU N N 15 118.906 0.2 . 1 . . . . 18 LEU N . 17271 1 208 . 1 1 19 19 LYS H H 1 7.780 0.01 . 1 . . . . 19 LYS H . 17271 1 209 . 1 1 19 19 LYS HA H 1 4.015 0.01 . 1 . . . . 19 LYS HA . 17271 1 210 . 1 1 19 19 LYS HB2 H 1 1.774 0.01 . 2 . . . . 19 LYS HB2 . 17271 1 211 . 1 1 19 19 LYS HB3 H 1 1.881 0.01 . 2 . . . . 19 LYS HB3 . 17271 1 212 . 1 1 19 19 LYS HD2 H 1 1.572 0.01 . 1 . . . . 19 LYS HD2 . 17271 1 213 . 1 1 19 19 LYS HD3 H 1 1.572 0.01 . 1 . . . . 19 LYS HD3 . 17271 1 214 . 1 1 19 19 LYS HE2 H 1 2.876 0.01 . 1 . . . . 19 LYS HE2 . 17271 1 215 . 1 1 19 19 LYS HE3 H 1 2.878 0.01 . 1 . . . . 19 LYS HE3 . 17271 1 216 . 1 1 19 19 LYS HG2 H 1 1.436 0.01 . 1 . . . . 19 LYS HG2 . 17271 1 217 . 1 1 19 19 LYS HG3 H 1 1.436 0.01 . 1 . . . . 19 LYS HG3 . 17271 1 218 . 1 1 19 19 LYS CA C 13 59.359 0.2 . 1 . . . . 19 LYS CA . 17271 1 219 . 1 1 19 19 LYS CB C 13 32.528 0.2 . 1 . . . . 19 LYS CB . 17271 1 220 . 1 1 19 19 LYS N N 15 118.001 0.2 . 1 . . . . 19 LYS N . 17271 1 221 . 1 1 20 20 LEU H H 1 8.154 0.01 . 1 . . . . 20 LEU H . 17271 1 222 . 1 1 20 20 LEU HA H 1 4.060 0.01 . 1 . . . . 20 LEU HA . 17271 1 223 . 1 1 20 20 LEU HB2 H 1 1.250 0.01 . 2 . . . . 20 LEU HB2 . 17271 1 224 . 1 1 20 20 LEU HB3 H 1 1.883 0.01 . 2 . . . . 20 LEU HB3 . 17271 1 225 . 1 1 20 20 LEU HD11 H 1 0.771 0.01 . 2 . . . . 20 LEU HD11 . 17271 1 226 . 1 1 20 20 LEU HD12 H 1 0.771 0.01 . 2 . . . . 20 LEU HD12 . 17271 1 227 . 1 1 20 20 LEU HD13 H 1 0.771 0.01 . 2 . . . . 20 LEU HD13 . 17271 1 228 . 1 1 20 20 LEU HD21 H 1 0.836 0.01 . 2 . . . . 20 LEU HD21 . 17271 1 229 . 1 1 20 20 LEU HD22 H 1 0.836 0.01 . 2 . . . . 20 LEU HD22 . 17271 1 230 . 1 1 20 20 LEU HD23 H 1 0.836 0.01 . 2 . . . . 20 LEU HD23 . 17271 1 231 . 1 1 20 20 LEU HG H 1 1.786 0.01 . 1 . . . . 20 LEU HG . 17271 1 232 . 1 1 20 20 LEU CA C 13 58.194 0.2 . 1 . . . . 20 LEU CA . 17271 1 233 . 1 1 20 20 LEU CB C 13 42.587 0.2 . 1 . . . . 20 LEU CB . 17271 1 234 . 1 1 20 20 LEU CD1 C 13 27.474 0.2 . 2 . . . . 20 LEU CD1 . 17271 1 235 . 1 1 20 20 LEU CD2 C 13 23.073 0.2 . 2 . . . . 20 LEU CD2 . 17271 1 236 . 1 1 20 20 LEU N N 15 121.782 0.2 . 1 . . . . 20 LEU N . 17271 1 237 . 1 1 21 21 GLU H H 1 8.915 0.01 . 1 . . . . 21 GLU H . 17271 1 238 . 1 1 21 21 GLU HA H 1 3.873 0.01 . 1 . . . . 21 GLU HA . 17271 1 239 . 1 1 21 21 GLU HB2 H 1 1.878 0.01 . 2 . . . . 21 GLU HB2 . 17271 1 240 . 1 1 21 21 GLU HB3 H 1 2.221 0.01 . 2 . . . . 21 GLU HB3 . 17271 1 241 . 1 1 21 21 GLU HG2 H 1 2.140 0.01 . 2 . . . . 21 GLU HG2 . 17271 1 242 . 1 1 21 21 GLU HG3 H 1 2.525 0.01 . 2 . . . . 21 GLU HG3 . 17271 1 243 . 1 1 21 21 GLU CA C 13 60.413 0.2 . 1 . . . . 21 GLU CA . 17271 1 244 . 1 1 21 21 GLU CB C 13 29.191 0.2 . 1 . . . . 21 GLU CB . 17271 1 245 . 1 1 21 21 GLU N N 15 120.513 0.2 . 1 . . . . 21 GLU N . 17271 1 246 . 1 1 22 22 GLU H H 1 7.859 0.01 . 1 . . . . 22 GLU H . 17271 1 247 . 1 1 22 22 GLU HA H 1 3.995 0.01 . 1 . . . . 22 GLU HA . 17271 1 248 . 1 1 22 22 GLU HB2 H 1 2.041 0.01 . 2 . . . . 22 GLU HB2 . 17271 1 249 . 1 1 22 22 GLU HB3 H 1 2.164 0.01 . 2 . . . . 22 GLU HB3 . 17271 1 250 . 1 1 22 22 GLU HG2 H 1 2.438 0.01 . 1 . . . . 22 GLU HG2 . 17271 1 251 . 1 1 22 22 GLU HG3 H 1 2.438 0.01 . 1 . . . . 22 GLU HG3 . 17271 1 252 . 1 1 22 22 GLU CA C 13 59.992 0.2 . 1 . . . . 22 GLU CA . 17271 1 253 . 1 1 22 22 GLU CB C 13 29.819 0.2 . 1 . . . . 22 GLU CB . 17271 1 254 . 1 1 22 22 GLU N N 15 119.993 0.2 . 1 . . . . 22 GLU N . 17271 1 255 . 1 1 23 23 LYS H H 1 7.727 0.01 . 1 . . . . 23 LYS H . 17271 1 256 . 1 1 23 23 LYS HA H 1 4.121 0.01 . 1 . . . . 23 LYS HA . 17271 1 257 . 1 1 23 23 LYS HB2 H 1 1.905 0.01 . 2 . . . . 23 LYS HB2 . 17271 1 258 . 1 1 23 23 LYS HB3 H 1 2.091 0.01 . 2 . . . . 23 LYS HB3 . 17271 1 259 . 1 1 23 23 LYS HE2 H 1 2.829 0.01 . 1 . . . . 23 LYS HE2 . 17271 1 260 . 1 1 23 23 LYS HE3 H 1 2.829 0.01 . 1 . . . . 23 LYS HE3 . 17271 1 261 . 1 1 23 23 LYS CA C 13 59.468 0.2 . 1 . . . . 23 LYS CA . 17271 1 262 . 1 1 23 23 LYS CB C 13 32.323 0.2 . 1 . . . . 23 LYS CB . 17271 1 263 . 1 1 23 23 LYS N N 15 122.634 0.2 . 1 . . . . 23 LYS N . 17271 1 264 . 1 1 24 24 LEU H H 1 8.761 0.01 . 1 . . . . 24 LEU H . 17271 1 265 . 1 1 24 24 LEU HA H 1 3.960 0.01 . 1 . . . . 24 LEU HA . 17271 1 266 . 1 1 24 24 LEU HB2 H 1 1.526 0.01 . 2 . . . . 24 LEU HB2 . 17271 1 267 . 1 1 24 24 LEU HB3 H 1 1.951 0.01 . 2 . . . . 24 LEU HB3 . 17271 1 268 . 1 1 24 24 LEU HD11 H 1 0.871 0.01 . 2 . . . . 24 LEU HD11 . 17271 1 269 . 1 1 24 24 LEU HD12 H 1 0.871 0.01 . 2 . . . . 24 LEU HD12 . 17271 1 270 . 1 1 24 24 LEU HD13 H 1 0.871 0.01 . 2 . . . . 24 LEU HD13 . 17271 1 271 . 1 1 24 24 LEU HD21 H 1 0.943 0.01 . 2 . . . . 24 LEU HD21 . 17271 1 272 . 1 1 24 24 LEU HD22 H 1 0.943 0.01 . 2 . . . . 24 LEU HD22 . 17271 1 273 . 1 1 24 24 LEU HD23 H 1 0.943 0.01 . 2 . . . . 24 LEU HD23 . 17271 1 274 . 1 1 24 24 LEU CA C 13 58.611 0.2 . 1 . . . . 24 LEU CA . 17271 1 275 . 1 1 24 24 LEU CB C 13 41.981 0.2 . 1 . . . . 24 LEU CB . 17271 1 276 . 1 1 24 24 LEU CD1 C 13 26.638 0.2 . 2 . . . . 24 LEU CD1 . 17271 1 277 . 1 1 24 24 LEU CD2 C 13 25.193 0.2 . 2 . . . . 24 LEU CD2 . 17271 1 278 . 1 1 24 24 LEU N N 15 120.216 0.2 . 1 . . . . 24 LEU N . 17271 1 279 . 1 1 25 25 LEU H H 1 7.632 0.01 . 1 . . . . 25 LEU H . 17271 1 280 . 1 1 25 25 LEU HA H 1 4.061 0.01 . 1 . . . . 25 LEU HA . 17271 1 281 . 1 1 25 25 LEU HB2 H 1 1.560 0.01 . 2 . . . . 25 LEU HB2 . 17271 1 282 . 1 1 25 25 LEU HB3 H 1 1.760 0.01 . 2 . . . . 25 LEU HB3 . 17271 1 283 . 1 1 25 25 LEU HD11 H 1 0.803 0.01 . 2 . . . . 25 LEU HD11 . 17271 1 284 . 1 1 25 25 LEU HD12 H 1 0.803 0.01 . 2 . . . . 25 LEU HD12 . 17271 1 285 . 1 1 25 25 LEU HD13 H 1 0.803 0.01 . 2 . . . . 25 LEU HD13 . 17271 1 286 . 1 1 25 25 LEU HD21 H 1 0.852 0.01 . 2 . . . . 25 LEU HD21 . 17271 1 287 . 1 1 25 25 LEU HD22 H 1 0.852 0.01 . 2 . . . . 25 LEU HD22 . 17271 1 288 . 1 1 25 25 LEU HD23 H 1 0.852 0.01 . 2 . . . . 25 LEU HD23 . 17271 1 289 . 1 1 25 25 LEU CA C 13 58.454 0.2 . 1 . . . . 25 LEU CA . 17271 1 290 . 1 1 25 25 LEU CB C 13 42.076 0.2 . 1 . . . . 25 LEU CB . 17271 1 291 . 1 1 25 25 LEU CD1 C 13 24.095 0.2 . 2 . . . . 25 LEU CD1 . 17271 1 292 . 1 1 25 25 LEU CD2 C 13 25.264 0.2 . 2 . . . . 25 LEU CD2 . 17271 1 293 . 1 1 25 25 LEU N N 15 117.901 0.2 . 1 . . . . 25 LEU N . 17271 1 294 . 1 1 26 26 ALA H H 1 7.637 0.01 . 1 . . . . 26 ALA H . 17271 1 295 . 1 1 26 26 ALA HA H 1 4.138 0.01 . 1 . . . . 26 ALA HA . 17271 1 296 . 1 1 26 26 ALA HB1 H 1 1.500 0.01 . 1 . . . . 26 ALA HB1 . 17271 1 297 . 1 1 26 26 ALA HB2 H 1 1.500 0.01 . 1 . . . . 26 ALA HB2 . 17271 1 298 . 1 1 26 26 ALA HB3 H 1 1.500 0.01 . 1 . . . . 26 ALA HB3 . 17271 1 299 . 1 1 26 26 ALA CA C 13 55.585 0.2 . 1 . . . . 26 ALA CA . 17271 1 300 . 1 1 26 26 ALA CB C 13 18.080 0.2 . 1 . . . . 26 ALA CB . 17271 1 301 . 1 1 26 26 ALA N N 15 121.976 0.2 . 1 . . . . 26 ALA N . 17271 1 302 . 1 1 27 27 LEU H H 1 8.645 0.01 . 1 . . . . 27 LEU H . 17271 1 303 . 1 1 27 27 LEU HA H 1 4.136 0.01 . 1 . . . . 27 LEU HA . 17271 1 304 . 1 1 27 27 LEU HB2 H 1 1.293 0.01 . 2 . . . . 27 LEU HB2 . 17271 1 305 . 1 1 27 27 LEU HB3 H 1 2.048 0.01 . 2 . . . . 27 LEU HB3 . 17271 1 306 . 1 1 27 27 LEU HD11 H 1 0.757 0.01 . 2 . . . . 27 LEU HD11 . 17271 1 307 . 1 1 27 27 LEU HD12 H 1 0.757 0.01 . 2 . . . . 27 LEU HD12 . 17271 1 308 . 1 1 27 27 LEU HD13 H 1 0.757 0.01 . 2 . . . . 27 LEU HD13 . 17271 1 309 . 1 1 27 27 LEU HD21 H 1 0.934 0.01 . 2 . . . . 27 LEU HD21 . 17271 1 310 . 1 1 27 27 LEU HD22 H 1 0.934 0.01 . 2 . . . . 27 LEU HD22 . 17271 1 311 . 1 1 27 27 LEU HD23 H 1 0.934 0.01 . 2 . . . . 27 LEU HD23 . 17271 1 312 . 1 1 27 27 LEU CA C 13 58.227 0.2 . 1 . . . . 27 LEU CA . 17271 1 313 . 1 1 27 27 LEU CB C 13 43.400 0.2 . 1 . . . . 27 LEU CB . 17271 1 314 . 1 1 27 27 LEU CD1 C 13 27.238 0.2 . 2 . . . . 27 LEU CD1 . 17271 1 315 . 1 1 27 27 LEU CD2 C 13 23.400 0.2 . 2 . . . . 27 LEU CD2 . 17271 1 316 . 1 1 27 27 LEU N N 15 122.132 0.2 . 1 . . . . 27 LEU N . 17271 1 317 . 1 1 28 28 GLN H H 1 8.608 0.01 . 1 . . . . 28 GLN H . 17271 1 318 . 1 1 28 28 GLN HA H 1 3.894 0.01 . 1 . . . . 28 GLN HA . 17271 1 319 . 1 1 28 28 GLN HB2 H 1 1.877 0.01 . 2 . . . . 28 GLN HB2 . 17271 1 320 . 1 1 28 28 GLN HB3 H 1 2.280 0.01 . 2 . . . . 28 GLN HB3 . 17271 1 321 . 1 1 28 28 GLN HE21 H 1 7.094 0.01 . 1 . . . . 28 GLN HE21 . 17271 1 322 . 1 1 28 28 GLN HE22 H 1 6.701 0.01 . 1 . . . . 28 GLN HE22 . 17271 1 323 . 1 1 28 28 GLN HG2 H 1 2.342 0.01 . 2 . . . . 28 GLN HG2 . 17271 1 324 . 1 1 28 28 GLN HG3 H 1 2.543 0.01 . 2 . . . . 28 GLN HG3 . 17271 1 325 . 1 1 28 28 GLN CA C 13 59.638 0.2 . 1 . . . . 28 GLN CA . 17271 1 326 . 1 1 28 28 GLN CB C 13 27.807 0.2 . 1 . . . . 28 GLN CB . 17271 1 327 . 1 1 28 28 GLN N N 15 118.226 0.2 . 1 . . . . 28 GLN N . 17271 1 328 . 1 1 28 28 GLN NE2 N 15 109.497 0.2 . 1 . . . . 28 GLN NE2 . 17271 1 329 . 1 1 29 29 GLU H H 1 8.073 0.01 . 1 . . . . 29 GLU H . 17271 1 330 . 1 1 29 29 GLU HA H 1 4.348 0.01 . 1 . . . . 29 GLU HA . 17271 1 331 . 1 1 29 29 GLU HB2 H 1 2.023 0.01 . 2 . . . . 29 GLU HB2 . 17271 1 332 . 1 1 29 29 GLU HB3 H 1 2.121 0.01 . 2 . . . . 29 GLU HB3 . 17271 1 333 . 1 1 29 29 GLU CA C 13 59.160 0.2 . 1 . . . . 29 GLU CA . 17271 1 334 . 1 1 29 29 GLU CB C 13 28.901 0.2 . 1 . . . . 29 GLU CB . 17271 1 335 . 1 1 29 29 GLU N N 15 121.832 0.2 . 1 . . . . 29 GLU N . 17271 1 336 . 1 1 30 30 GLU H H 1 8.207 0.01 . 1 . . . . 30 GLU H . 17271 1 337 . 1 1 30 30 GLU HA H 1 3.922 0.01 . 1 . . . . 30 GLU HA . 17271 1 338 . 1 1 30 30 GLU HB2 H 1 2.082 0.01 . 2 . . . . 30 GLU HB2 . 17271 1 339 . 1 1 30 30 GLU HB3 H 1 2.237 0.01 . 2 . . . . 30 GLU HB3 . 17271 1 340 . 1 1 30 30 GLU HG2 H 1 2.004 0.01 . 2 . . . . 30 GLU HG2 . 17271 1 341 . 1 1 30 30 GLU HG3 H 1 2.318 0.01 . 2 . . . . 30 GLU HG3 . 17271 1 342 . 1 1 30 30 GLU CA C 13 60.206 0.2 . 1 . . . . 30 GLU CA . 17271 1 343 . 1 1 30 30 GLU CB C 13 29.574 0.2 . 1 . . . . 30 GLU CB . 17271 1 344 . 1 1 30 30 GLU N N 15 123.110 0.2 . 1 . . . . 30 GLU N . 17271 1 345 . 1 1 31 31 LYS H H 1 8.641 0.01 . 1 . . . . 31 LYS H . 17271 1 346 . 1 1 31 31 LYS HA H 1 3.798 0.01 . 1 . . . . 31 LYS HA . 17271 1 347 . 1 1 31 31 LYS HB2 H 1 1.826 0.01 . 2 . . . . 31 LYS HB2 . 17271 1 348 . 1 1 31 31 LYS HB3 H 1 2.036 0.01 . 2 . . . . 31 LYS HB3 . 17271 1 349 . 1 1 31 31 LYS HD2 H 1 1.523 0.01 . 2 . . . . 31 LYS HD2 . 17271 1 350 . 1 1 31 31 LYS HD3 H 1 1.603 0.01 . 2 . . . . 31 LYS HD3 . 17271 1 351 . 1 1 31 31 LYS HE2 H 1 2.838 0.01 . 1 . . . . 31 LYS HE2 . 17271 1 352 . 1 1 31 31 LYS HE3 H 1 2.838 0.01 . 1 . . . . 31 LYS HE3 . 17271 1 353 . 1 1 31 31 LYS CA C 13 60.500 0.2 . 1 . . . . 31 LYS CA . 17271 1 354 . 1 1 31 31 LYS CB C 13 32.765 0.2 . 1 . . . . 31 LYS CB . 17271 1 355 . 1 1 31 31 LYS N N 15 118.723 0.2 . 1 . . . . 31 LYS N . 17271 1 356 . 1 1 32 32 HIS H H 1 8.056 0.01 . 1 . . . . 32 HIS H . 17271 1 357 . 1 1 32 32 HIS HA H 1 4.474 0.01 . 1 . . . . 32 HIS HA . 17271 1 358 . 1 1 32 32 HIS HB2 H 1 3.225 0.01 . 2 . . . . 32 HIS HB2 . 17271 1 359 . 1 1 32 32 HIS HB3 H 1 3.492 0.01 . 2 . . . . 32 HIS HB3 . 17271 1 360 . 1 1 32 32 HIS HD2 H 1 7.259 0.01 . 1 . . . . 32 HIS HD2 . 17271 1 361 . 1 1 32 32 HIS HE1 H 1 8.534 0.01 . 1 . . . . 32 HIS HE1 . 17271 1 362 . 1 1 32 32 HIS CA C 13 59.269 0.2 . 1 . . . . 32 HIS CA . 17271 1 363 . 1 1 32 32 HIS CB C 13 28.806 0.2 . 1 . . . . 32 HIS CB . 17271 1 364 . 1 1 32 32 HIS CD2 C 13 120.298 0.2 . 1 . . . . 32 HIS CD2 . 17271 1 365 . 1 1 32 32 HIS CE1 C 13 136.752 0.2 . 1 . . . . 32 HIS CE1 . 17271 1 366 . 1 1 32 32 HIS N N 15 117.559 0.2 . 1 . . . . 32 HIS N . 17271 1 367 . 1 1 33 33 GLN H H 1 8.329 0.01 . 1 . . . . 33 GLN H . 17271 1 368 . 1 1 33 33 GLN HA H 1 3.766 0.01 . 1 . . . . 33 GLN HA . 17271 1 369 . 1 1 33 33 GLN HB2 H 1 2.103 0.01 . 1 . . . . 33 GLN HB2 . 17271 1 370 . 1 1 33 33 GLN HB3 H 1 2.101 0.01 . 1 . . . . 33 GLN HB3 . 17271 1 371 . 1 1 33 33 GLN HE21 H 1 7.839 0.01 . 1 . . . . 33 GLN HE21 . 17271 1 372 . 1 1 33 33 GLN HE22 H 1 6.782 0.01 . 1 . . . . 33 GLN HE22 . 17271 1 373 . 1 1 33 33 GLN HG2 H 1 2.500 0.01 . 1 . . . . 33 GLN HG2 . 17271 1 374 . 1 1 33 33 GLN HG3 H 1 2.504 0.01 . 1 . . . . 33 GLN HG3 . 17271 1 375 . 1 1 33 33 GLN CA C 13 58.899 0.2 . 1 . . . . 33 GLN CA . 17271 1 376 . 1 1 33 33 GLN CB C 13 28.219 0.2 . 1 . . . . 33 GLN CB . 17271 1 377 . 1 1 33 33 GLN N N 15 115.859 0.2 . 1 . . . . 33 GLN N . 17271 1 378 . 1 1 33 33 GLN NE2 N 15 113.065 0.2 . 1 . . . . 33 GLN NE2 . 17271 1 379 . 1 1 34 34 LEU H H 1 7.833 0.01 . 1 . . . . 34 LEU H . 17271 1 380 . 1 1 34 34 LEU HA H 1 3.976 0.01 . 1 . . . . 34 LEU HA . 17271 1 381 . 1 1 34 34 LEU HB2 H 1 1.179 0.01 . 1 . . . . 34 LEU HB2 . 17271 1 382 . 1 1 34 34 LEU HB3 H 1 1.179 0.01 . 1 . . . . 34 LEU HB3 . 17271 1 383 . 1 1 34 34 LEU HD11 H 1 0.713 0.01 . 2 . . . . 34 LEU HD11 . 17271 1 384 . 1 1 34 34 LEU HD12 H 1 0.713 0.01 . 2 . . . . 34 LEU HD12 . 17271 1 385 . 1 1 34 34 LEU HD13 H 1 0.713 0.01 . 2 . . . . 34 LEU HD13 . 17271 1 386 . 1 1 34 34 LEU HD21 H 1 0.767 0.01 . 2 . . . . 34 LEU HD21 . 17271 1 387 . 1 1 34 34 LEU HD22 H 1 0.767 0.01 . 2 . . . . 34 LEU HD22 . 17271 1 388 . 1 1 34 34 LEU HD23 H 1 0.767 0.01 . 2 . . . . 34 LEU HD23 . 17271 1 389 . 1 1 34 34 LEU CA C 13 58.562 0.2 . 1 . . . . 34 LEU CA . 17271 1 390 . 1 1 34 34 LEU CB C 13 42.865 0.2 . 1 . . . . 34 LEU CB . 17271 1 391 . 1 1 34 34 LEU CD1 C 13 26.814 0.2 . 2 . . . . 34 LEU CD1 . 17271 1 392 . 1 1 34 34 LEU CD2 C 13 23.498 0.2 . 2 . . . . 34 LEU CD2 . 17271 1 393 . 1 1 34 34 LEU N N 15 120.472 0.2 . 1 . . . . 34 LEU N . 17271 1 394 . 1 1 35 35 PHE H H 1 8.385 0.01 . 1 . . . . 35 PHE H . 17271 1 395 . 1 1 35 35 PHE HA H 1 3.946 0.01 . 1 . . . . 35 PHE HA . 17271 1 396 . 1 1 35 35 PHE HB2 H 1 3.182 0.01 . 1 . . . . 35 PHE HB2 . 17271 1 397 . 1 1 35 35 PHE HB3 H 1 3.185 0.01 . 1 . . . . 35 PHE HB3 . 17271 1 398 . 1 1 35 35 PHE HD1 H 1 7.035 0.01 . 3 . . . . 35 PHE HD1 . 17271 1 399 . 1 1 35 35 PHE HD2 H 1 7.035 0.01 . 3 . . . . 35 PHE HD2 . 17271 1 400 . 1 1 35 35 PHE HE1 H 1 7.240 0.01 . 3 . . . . 35 PHE HE1 . 17271 1 401 . 1 1 35 35 PHE HE2 H 1 7.240 0.01 . 3 . . . . 35 PHE HE2 . 17271 1 402 . 1 1 35 35 PHE HZ H 1 7.194 0.01 . 1 . . . . 35 PHE HZ . 17271 1 403 . 1 1 35 35 PHE CA C 13 61.575 0.2 . 1 . . . . 35 PHE CA . 17271 1 404 . 1 1 35 35 PHE CB C 13 39.498 0.2 . 1 . . . . 35 PHE CB . 17271 1 405 . 1 1 35 35 PHE CD1 C 13 132.035 0.2 . 3 . . . . 35 PHE CD1 . 17271 1 406 . 1 1 35 35 PHE CD2 C 13 132.035 0.2 . 3 . . . . 35 PHE CD2 . 17271 1 407 . 1 1 35 35 PHE CE1 C 13 132.203 0.2 . 3 . . . . 35 PHE CE1 . 17271 1 408 . 1 1 35 35 PHE CE2 C 13 132.203 0.2 . 3 . . . . 35 PHE CE2 . 17271 1 409 . 1 1 35 35 PHE CZ C 13 130.578 0.2 . 1 . . . . 35 PHE CZ . 17271 1 410 . 1 1 35 35 PHE N N 15 119.765 0.2 . 1 . . . . 35 PHE N . 17271 1 411 . 1 1 36 36 LEU H H 1 7.686 0.01 . 1 . . . . 36 LEU H . 17271 1 412 . 1 1 36 36 LEU HA H 1 3.796 0.01 . 1 . . . . 36 LEU HA . 17271 1 413 . 1 1 36 36 LEU HB2 H 1 1.379 0.01 . 2 . . . . 36 LEU HB2 . 17271 1 414 . 1 1 36 36 LEU HB3 H 1 1.653 0.01 . 2 . . . . 36 LEU HB3 . 17271 1 415 . 1 1 36 36 LEU HD11 H 1 0.638 0.01 . 2 . . . . 36 LEU HD11 . 17271 1 416 . 1 1 36 36 LEU HD12 H 1 0.638 0.01 . 2 . . . . 36 LEU HD12 . 17271 1 417 . 1 1 36 36 LEU HD13 H 1 0.638 0.01 . 2 . . . . 36 LEU HD13 . 17271 1 418 . 1 1 36 36 LEU HD21 H 1 0.777 0.01 . 2 . . . . 36 LEU HD21 . 17271 1 419 . 1 1 36 36 LEU HD22 H 1 0.777 0.01 . 2 . . . . 36 LEU HD22 . 17271 1 420 . 1 1 36 36 LEU HD23 H 1 0.777 0.01 . 2 . . . . 36 LEU HD23 . 17271 1 421 . 1 1 36 36 LEU CA C 13 56.780 0.2 . 1 . . . . 36 LEU CA . 17271 1 422 . 1 1 36 36 LEU CB C 13 42.667 0.2 . 1 . . . . 36 LEU CB . 17271 1 423 . 1 1 36 36 LEU CD1 C 13 25.660 0.2 . 2 . . . . 36 LEU CD1 . 17271 1 424 . 1 1 36 36 LEU CD2 C 13 22.599 0.2 . 2 . . . . 36 LEU CD2 . 17271 1 425 . 1 1 36 36 LEU N N 15 116.132 0.2 . 1 . . . . 36 LEU N . 17271 1 426 . 1 1 37 37 GLN H H 1 7.561 0.01 . 1 . . . . 37 GLN H . 17271 1 427 . 1 1 37 37 GLN HA H 1 4.118 0.01 . 1 . . . . 37 GLN HA . 17271 1 428 . 1 1 37 37 GLN HB2 H 1 2.087 0.01 . 2 . . . . 37 GLN HB2 . 17271 1 429 . 1 1 37 37 GLN HB3 H 1 2.249 0.01 . 2 . . . . 37 GLN HB3 . 17271 1 430 . 1 1 37 37 GLN HE21 H 1 7.068 0.01 . 1 . . . . 37 GLN HE21 . 17271 1 431 . 1 1 37 37 GLN HE22 H 1 6.781 0.01 . 1 . . . . 37 GLN HE22 . 17271 1 432 . 1 1 37 37 GLN CA C 13 56.431 0.2 . 1 . . . . 37 GLN CA . 17271 1 433 . 1 1 37 37 GLN CB C 13 31.176 0.2 . 1 . . . . 37 GLN CB . 17271 1 434 . 1 1 37 37 GLN N N 15 116.696 0.2 . 1 . . . . 37 GLN N . 17271 1 435 . 1 1 37 37 GLN NE2 N 15 111.677 0.2 . 1 . . . . 37 GLN NE2 . 17271 1 436 . 1 1 38 38 LEU H H 1 7.066 0.01 . 1 . . . . 38 LEU H . 17271 1 437 . 1 1 38 38 LEU HA H 1 3.783 0.01 . 1 . . . . 38 LEU HA . 17271 1 438 . 1 1 38 38 LEU HB2 H 1 1.291 0.01 . 2 . . . . 38 LEU HB2 . 17271 1 439 . 1 1 38 38 LEU HB3 H 1 1.419 0.01 . 2 . . . . 38 LEU HB3 . 17271 1 440 . 1 1 38 38 LEU HD11 H 1 0.730 0.01 . 2 . . . . 38 LEU HD11 . 17271 1 441 . 1 1 38 38 LEU HD12 H 1 0.730 0.01 . 2 . . . . 38 LEU HD12 . 17271 1 442 . 1 1 38 38 LEU HD13 H 1 0.730 0.01 . 2 . . . . 38 LEU HD13 . 17271 1 443 . 1 1 38 38 LEU HD21 H 1 0.734 0.01 . 2 . . . . 38 LEU HD21 . 17271 1 444 . 1 1 38 38 LEU HD22 H 1 0.734 0.01 . 2 . . . . 38 LEU HD22 . 17271 1 445 . 1 1 38 38 LEU HD23 H 1 0.734 0.01 . 2 . . . . 38 LEU HD23 . 17271 1 446 . 1 1 38 38 LEU HG H 1 1.538 0.01 . 1 . . . . 38 LEU HG . 17271 1 447 . 1 1 38 38 LEU CA C 13 57.829 0.2 . 1 . . . . 38 LEU CA . 17271 1 448 . 1 1 38 38 LEU CB C 13 43.205 0.2 . 1 . . . . 38 LEU CB . 17271 1 449 . 1 1 38 38 LEU CD1 C 13 26.239 0.2 . 2 . . . . 38 LEU CD1 . 17271 1 450 . 1 1 38 38 LEU CD2 C 13 24.419 0.2 . 2 . . . . 38 LEU CD2 . 17271 1 451 . 1 1 38 38 LEU N N 15 125.892 0.2 . 1 . . . . 38 LEU N . 17271 1 452 . 2 2 1 1 GLY HA2 H 1 3.748 0.01 . 1 . . . . 1 GLY HA2 . 17271 1 453 . 2 2 1 1 GLY HA3 H 1 3.750 0.01 . 1 . . . . 1 GLY HA3 . 17271 1 454 . 2 2 1 1 GLY CA C 13 43.499 0.2 . 1 . . . . 1 GLY CA . 17271 1 455 . 2 2 2 2 LEU H H 1 8.563 0.01 . 1 . . . . 2 LEU H . 17271 1 456 . 2 2 2 2 LEU HA H 1 4.373 0.01 . 1 . . . . 2 LEU HA . 17271 1 457 . 2 2 2 2 LEU HB2 H 1 1.396 0.01 . 2 . . . . 2 LEU HB2 . 17271 1 458 . 2 2 2 2 LEU HB3 H 1 1.464 0.01 . 2 . . . . 2 LEU HB3 . 17271 1 459 . 2 2 2 2 LEU HD11 H 1 0.712 0.01 . 2 . . . . 2 LEU HD11 . 17271 1 460 . 2 2 2 2 LEU HD12 H 1 0.712 0.01 . 2 . . . . 2 LEU HD12 . 17271 1 461 . 2 2 2 2 LEU HD13 H 1 0.712 0.01 . 2 . . . . 2 LEU HD13 . 17271 1 462 . 2 2 2 2 LEU HD21 H 1 0.726 0.01 . 2 . . . . 2 LEU HD21 . 17271 1 463 . 2 2 2 2 LEU HD22 H 1 0.726 0.01 . 2 . . . . 2 LEU HD22 . 17271 1 464 . 2 2 2 2 LEU HD23 H 1 0.726 0.01 . 2 . . . . 2 LEU HD23 . 17271 1 465 . 2 2 2 2 LEU CA C 13 55.261 0.2 . 1 . . . . 2 LEU CA . 17271 1 466 . 2 2 2 2 LEU CB C 13 43.465 0.2 . 1 . . . . 2 LEU CB . 17271 1 467 . 2 2 2 2 LEU CD1 C 13 23.558 0.2 . 2 . . . . 2 LEU CD1 . 17271 1 468 . 2 2 2 2 LEU CD2 C 13 25.867 0.2 . 2 . . . . 2 LEU CD2 . 17271 1 469 . 2 2 2 2 LEU N N 15 121.505 0.2 . 1 . . . . 2 LEU N . 17271 1 470 . 2 2 3 3 SER H H 1 8.944 0.01 . 1 . . . . 3 SER H . 17271 1 471 . 2 2 3 3 SER HA H 1 4.361 0.01 . 1 . . . . 3 SER HA . 17271 1 472 . 2 2 3 3 SER HB2 H 1 3.970 0.01 . 2 . . . . 3 SER HB2 . 17271 1 473 . 2 2 3 3 SER HB3 H 1 4.260 0.01 . 2 . . . . 3 SER HB3 . 17271 1 474 . 2 2 3 3 SER CA C 13 57.703 0.2 . 1 . . . . 3 SER CA . 17271 1 475 . 2 2 3 3 SER CB C 13 65.418 0.2 . 1 . . . . 3 SER CB . 17271 1 476 . 2 2 3 3 SER N N 15 118.554 0.2 . 1 . . . . 3 SER N . 17271 1 477 . 2 2 4 4 LYS H H 1 8.819 0.01 . 1 . . . . 4 LYS H . 17271 1 478 . 2 2 4 4 LYS HA H 1 3.869 0.01 . 1 . . . . 4 LYS HA . 17271 1 479 . 2 2 4 4 LYS HB2 H 1 1.717 0.01 . 2 . . . . 4 LYS HB2 . 17271 1 480 . 2 2 4 4 LYS HB3 H 1 1.842 0.01 . 2 . . . . 4 LYS HB3 . 17271 1 481 . 2 2 4 4 LYS HD2 H 1 1.616 0.01 . 1 . . . . 4 LYS HD2 . 17271 1 482 . 2 2 4 4 LYS HD3 H 1 1.616 0.01 . 1 . . . . 4 LYS HD3 . 17271 1 483 . 2 2 4 4 LYS HE2 H 1 2.897 0.01 . 1 . . . . 4 LYS HE2 . 17271 1 484 . 2 2 4 4 LYS HE3 H 1 2.897 0.01 . 1 . . . . 4 LYS HE3 . 17271 1 485 . 2 2 4 4 LYS HG2 H 1 1.375 0.01 . 2 . . . . 4 LYS HG2 . 17271 1 486 . 2 2 4 4 LYS HG3 H 1 1.442 0.01 . 2 . . . . 4 LYS HG3 . 17271 1 487 . 2 2 4 4 LYS CA C 13 60.329 0.2 . 1 . . . . 4 LYS CA . 17271 1 488 . 2 2 4 4 LYS CB C 13 32.025 0.2 . 1 . . . . 4 LYS CB . 17271 1 489 . 2 2 4 4 LYS CG C 13 25.221 0.2 . 1 . . . . 4 LYS CG . 17271 1 490 . 2 2 4 4 LYS N N 15 121.597 0.2 . 1 . . . . 4 LYS N . 17271 1 491 . 2 2 5 5 GLU H H 1 8.552 0.01 . 1 . . . . 5 GLU H . 17271 1 492 . 2 2 5 5 GLU HA H 1 3.855 0.01 . 1 . . . . 5 GLU HA . 17271 1 493 . 2 2 5 5 GLU HB2 H 1 1.823 0.01 . 2 . . . . 5 GLU HB2 . 17271 1 494 . 2 2 5 5 GLU HB3 H 1 1.971 0.01 . 2 . . . . 5 GLU HB3 . 17271 1 495 . 2 2 5 5 GLU CA C 13 60.828 0.2 . 1 . . . . 5 GLU CA . 17271 1 496 . 2 2 5 5 GLU CB C 13 29.307 0.2 . 1 . . . . 5 GLU CB . 17271 1 497 . 2 2 5 5 GLU N N 15 116.111 0.2 . 1 . . . . 5 GLU N . 17271 1 498 . 2 2 6 6 GLU H H 1 7.734 0.01 . 1 . . . . 6 GLU H . 17271 1 499 . 2 2 6 6 GLU HA H 1 3.962 0.01 . 1 . . . . 6 GLU HA . 17271 1 500 . 2 2 6 6 GLU HB2 H 1 1.886 0.01 . 2 . . . . 6 GLU HB2 . 17271 1 501 . 2 2 6 6 GLU HB3 H 1 2.198 0.01 . 2 . . . . 6 GLU HB3 . 17271 1 502 . 2 2 6 6 GLU CA C 13 59.298 0.2 . 1 . . . . 6 GLU CA . 17271 1 503 . 2 2 6 6 GLU CB C 13 30.789 0.2 . 1 . . . . 6 GLU CB . 17271 1 504 . 2 2 6 6 GLU N N 15 119.762 0.2 . 1 . . . . 6 GLU N . 17271 1 505 . 2 2 7 7 LEU H H 1 8.575 0.01 . 1 . . . . 7 LEU H . 17271 1 506 . 2 2 7 7 LEU HA H 1 3.870 0.01 . 1 . . . . 7 LEU HA . 17271 1 507 . 2 2 7 7 LEU HB2 H 1 1.302 0.01 . 2 . . . . 7 LEU HB2 . 17271 1 508 . 2 2 7 7 LEU HB3 H 1 1.949 0.01 . 2 . . . . 7 LEU HB3 . 17271 1 509 . 2 2 7 7 LEU HD11 H 1 0.689 0.01 . 2 . . . . 7 LEU HD11 . 17271 1 510 . 2 2 7 7 LEU HD12 H 1 0.689 0.01 . 2 . . . . 7 LEU HD12 . 17271 1 511 . 2 2 7 7 LEU HD13 H 1 0.689 0.01 . 2 . . . . 7 LEU HD13 . 17271 1 512 . 2 2 7 7 LEU HD21 H 1 0.759 0.01 . 2 . . . . 7 LEU HD21 . 17271 1 513 . 2 2 7 7 LEU HD22 H 1 0.759 0.01 . 2 . . . . 7 LEU HD22 . 17271 1 514 . 2 2 7 7 LEU HD23 H 1 0.759 0.01 . 2 . . . . 7 LEU HD23 . 17271 1 515 . 2 2 7 7 LEU CA C 13 59.386 0.2 . 1 . . . . 7 LEU CA . 17271 1 516 . 2 2 7 7 LEU CB C 13 42.421 0.2 . 1 . . . . 7 LEU CB . 17271 1 517 . 2 2 7 7 LEU CD1 C 13 26.417 0.2 . 2 . . . . 7 LEU CD1 . 17271 1 518 . 2 2 7 7 LEU CD2 C 13 25.222 0.2 . 2 . . . . 7 LEU CD2 . 17271 1 519 . 2 2 7 7 LEU N N 15 123.723 0.2 . 1 . . . . 7 LEU N . 17271 1 520 . 2 2 8 8 ILE H H 1 8.129 0.01 . 1 . . . . 8 ILE H . 17271 1 521 . 2 2 8 8 ILE HA H 1 3.588 0.01 . 1 . . . . 8 ILE HA . 17271 1 522 . 2 2 8 8 ILE HB H 1 1.823 0.01 . 1 . . . . 8 ILE HB . 17271 1 523 . 2 2 8 8 ILE HD11 H 1 0.747 0.01 . 1 . . . . 8 ILE HD11 . 17271 1 524 . 2 2 8 8 ILE HD12 H 1 0.747 0.01 . 1 . . . . 8 ILE HD12 . 17271 1 525 . 2 2 8 8 ILE HD13 H 1 0.747 0.01 . 1 . . . . 8 ILE HD13 . 17271 1 526 . 2 2 8 8 ILE HG12 H 1 1.146 0.01 . 2 . . . . 8 ILE HG12 . 17271 1 527 . 2 2 8 8 ILE HG13 H 1 1.625 0.01 . 2 . . . . 8 ILE HG13 . 17271 1 528 . 2 2 8 8 ILE HG21 H 1 0.835 0.01 . 1 . . . . 8 ILE HG21 . 17271 1 529 . 2 2 8 8 ILE HG22 H 1 0.835 0.01 . 1 . . . . 8 ILE HG22 . 17271 1 530 . 2 2 8 8 ILE HG23 H 1 0.835 0.01 . 1 . . . . 8 ILE HG23 . 17271 1 531 . 2 2 8 8 ILE CA C 13 65.353 0.2 . 1 . . . . 8 ILE CA . 17271 1 532 . 2 2 8 8 ILE CB C 13 38.100 0.2 . 1 . . . . 8 ILE CB . 17271 1 533 . 2 2 8 8 ILE CD1 C 13 13.149 0.2 . 1 . . . . 8 ILE CD1 . 17271 1 534 . 2 2 8 8 ILE CG1 C 13 29.627 0.2 . 1 . . . . 8 ILE CG1 . 17271 1 535 . 2 2 8 8 ILE CG2 C 13 17.458 0.2 . 1 . . . . 8 ILE CG2 . 17271 1 536 . 2 2 8 8 ILE N N 15 119.504 0.2 . 1 . . . . 8 ILE N . 17271 1 537 . 2 2 9 9 GLN H H 1 7.881 0.01 . 1 . . . . 9 GLN H . 17271 1 538 . 2 2 9 9 GLN HA H 1 4.092 0.01 . 1 . . . . 9 GLN HA . 17271 1 539 . 2 2 9 9 GLN HB2 H 1 2.055 0.01 . 2 . . . . 9 GLN HB2 . 17271 1 540 . 2 2 9 9 GLN HB3 H 1 2.146 0.01 . 2 . . . . 9 GLN HB3 . 17271 1 541 . 2 2 9 9 GLN HE21 H 1 7.443 0.01 . 1 . . . . 9 GLN HE21 . 17271 1 542 . 2 2 9 9 GLN HE22 H 1 6.758 0.01 . 1 . . . . 9 GLN HE22 . 17271 1 543 . 2 2 9 9 GLN HG2 H 1 2.358 0.01 . 2 . . . . 9 GLN HG2 . 17271 1 544 . 2 2 9 9 GLN HG3 H 1 2.489 0.01 . 2 . . . . 9 GLN HG3 . 17271 1 545 . 2 2 9 9 GLN CA C 13 59.483 0.2 . 1 . . . . 9 GLN CA . 17271 1 546 . 2 2 9 9 GLN CB C 13 28.662 0.2 . 1 . . . . 9 GLN CB . 17271 1 547 . 2 2 9 9 GLN N N 15 118.754 0.2 . 1 . . . . 9 GLN N . 17271 1 548 . 2 2 9 9 GLN NE2 N 15 111.146 0.2 . 1 . . . . 9 GLN NE2 . 17271 1 549 . 2 2 10 10 ASN H H 1 8.301 0.01 . 1 . . . . 10 ASN H . 17271 1 550 . 2 2 10 10 ASN HA H 1 4.436 0.01 . 1 . . . . 10 ASN HA . 17271 1 551 . 2 2 10 10 ASN HB2 H 1 2.584 0.01 . 2 . . . . 10 ASN HB2 . 17271 1 552 . 2 2 10 10 ASN HB3 H 1 2.874 0.01 . 2 . . . . 10 ASN HB3 . 17271 1 553 . 2 2 10 10 ASN HD21 H 1 7.431 0.01 . 1 . . . . 10 ASN HD21 . 17271 1 554 . 2 2 10 10 ASN HD22 H 1 7.180 0.01 . 1 . . . . 10 ASN HD22 . 17271 1 555 . 2 2 10 10 ASN CA C 13 56.957 0.2 . 1 . . . . 10 ASN CA . 17271 1 556 . 2 2 10 10 ASN CB C 13 39.757 0.2 . 1 . . . . 10 ASN CB . 17271 1 557 . 2 2 10 10 ASN N N 15 119.030 0.2 . 1 . . . . 10 ASN N . 17271 1 558 . 2 2 10 10 ASN ND2 N 15 113.404 0.2 . 1 . . . . 10 ASN ND2 . 17271 1 559 . 2 2 11 11 MET H H 1 8.728 0.01 . 1 . . . . 11 MET H . 17271 1 560 . 2 2 11 11 MET HA H 1 3.807 0.01 . 1 . . . . 11 MET HA . 17271 1 561 . 2 2 11 11 MET HB2 H 1 2.116 0.01 . 2 . . . . 11 MET HB2 . 17271 1 562 . 2 2 11 11 MET HB3 H 1 2.249 0.01 . 2 . . . . 11 MET HB3 . 17271 1 563 . 2 2 11 11 MET HE1 H 1 2.000 0.01 . 1 . . . . 11 MET HE1 . 17271 1 564 . 2 2 11 11 MET HE2 H 1 2.000 0.01 . 1 . . . . 11 MET HE2 . 17271 1 565 . 2 2 11 11 MET HE3 H 1 2.000 0.01 . 1 . . . . 11 MET HE3 . 17271 1 566 . 2 2 11 11 MET HG2 H 1 2.345 0.01 . 2 . . . . 11 MET HG2 . 17271 1 567 . 2 2 11 11 MET HG3 H 1 2.678 0.01 . 2 . . . . 11 MET HG3 . 17271 1 568 . 2 2 11 11 MET CA C 13 60.399 0.2 . 1 . . . . 11 MET CA . 17271 1 569 . 2 2 11 11 MET CB C 13 32.923 0.2 . 1 . . . . 11 MET CB . 17271 1 570 . 2 2 11 11 MET CG C 13 34.102 0.2 . 1 . . . . 11 MET CG . 17271 1 571 . 2 2 11 11 MET N N 15 121.627 0.2 . 1 . . . . 11 MET N . 17271 1 572 . 2 2 12 12 ASP H H 1 8.202 0.01 . 1 . . . . 12 ASP H . 17271 1 573 . 2 2 12 12 ASP HA H 1 4.320 0.01 . 1 . . . . 12 ASP HA . 17271 1 574 . 2 2 12 12 ASP HB2 H 1 2.606 0.01 . 2 . . . . 12 ASP HB2 . 17271 1 575 . 2 2 12 12 ASP HB3 H 1 2.737 0.01 . 2 . . . . 12 ASP HB3 . 17271 1 576 . 2 2 12 12 ASP CA C 13 57.842 0.2 . 1 . . . . 12 ASP CA . 17271 1 577 . 2 2 12 12 ASP CB C 13 40.850 0.2 . 1 . . . . 12 ASP CB . 17271 1 578 . 2 2 12 12 ASP N N 15 118.897 0.2 . 1 . . . . 12 ASP N . 17271 1 579 . 2 2 13 13 ARG H H 1 7.720 0.01 . 1 . . . . 13 ARG H . 17271 1 580 . 2 2 13 13 ARG HA H 1 3.879 0.01 . 1 . . . . 13 ARG HA . 17271 1 581 . 2 2 13 13 ARG HB2 H 1 1.822 0.01 . 2 . . . . 13 ARG HB2 . 17271 1 582 . 2 2 13 13 ARG HB3 H 1 2.157 0.01 . 2 . . . . 13 ARG HB3 . 17271 1 583 . 2 2 13 13 ARG HD2 H 1 3.057 0.01 . 2 . . . . 13 ARG HD2 . 17271 1 584 . 2 2 13 13 ARG HD3 H 1 3.243 0.01 . 2 . . . . 13 ARG HD3 . 17271 1 585 . 2 2 13 13 ARG HE H 1 7.003 0.01 . 1 . . . . 13 ARG HE . 17271 1 586 . 2 2 13 13 ARG HG2 H 1 1.474 0.01 . 2 . . . . 13 ARG HG2 . 17271 1 587 . 2 2 13 13 ARG HG3 H 1 1.599 0.01 . 2 . . . . 13 ARG HG3 . 17271 1 588 . 2 2 13 13 ARG CA C 13 60.188 0.2 . 1 . . . . 13 ARG CA . 17271 1 589 . 2 2 13 13 ARG CB C 13 29.597 0.2 . 1 . . . . 13 ARG CB . 17271 1 590 . 2 2 13 13 ARG CD C 13 43.052 0.2 . 1 . . . . 13 ARG CD . 17271 1 591 . 2 2 13 13 ARG N N 15 120.285 0.2 . 1 . . . . 13 ARG N . 17271 1 592 . 2 2 13 13 ARG NE N 15 117.780 0.2 . 1 . . . . 13 ARG NE . 17271 1 593 . 2 2 14 14 VAL H H 1 8.278 0.01 . 1 . . . . 14 VAL H . 17271 1 594 . 2 2 14 14 VAL HA H 1 3.520 0.01 . 1 . . . . 14 VAL HA . 17271 1 595 . 2 2 14 14 VAL HB H 1 1.981 0.01 . 1 . . . . 14 VAL HB . 17271 1 596 . 2 2 14 14 VAL HG11 H 1 0.889 0.01 . 2 . . . . 14 VAL HG11 . 17271 1 597 . 2 2 14 14 VAL HG12 H 1 0.889 0.01 . 2 . . . . 14 VAL HG12 . 17271 1 598 . 2 2 14 14 VAL HG13 H 1 0.889 0.01 . 2 . . . . 14 VAL HG13 . 17271 1 599 . 2 2 14 14 VAL HG21 H 1 0.936 0.01 . 2 . . . . 14 VAL HG21 . 17271 1 600 . 2 2 14 14 VAL HG22 H 1 0.936 0.01 . 2 . . . . 14 VAL HG22 . 17271 1 601 . 2 2 14 14 VAL HG23 H 1 0.936 0.01 . 2 . . . . 14 VAL HG23 . 17271 1 602 . 2 2 14 14 VAL CA C 13 67.219 0.2 . 1 . . . . 14 VAL CA . 17271 1 603 . 2 2 14 14 VAL CB C 13 31.812 0.2 . 1 . . . . 14 VAL CB . 17271 1 604 . 2 2 14 14 VAL CG1 C 13 23.965 0.2 . 2 . . . . 14 VAL CG1 . 17271 1 605 . 2 2 14 14 VAL CG2 C 13 23.316 0.2 . 2 . . . . 14 VAL CG2 . 17271 1 606 . 2 2 14 14 VAL N N 15 120.666 0.2 . 1 . . . . 14 VAL N . 17271 1 607 . 2 2 15 15 ASP H H 1 8.525 0.01 . 1 . . . . 15 ASP H . 17271 1 608 . 2 2 15 15 ASP HA H 1 4.422 0.01 . 1 . . . . 15 ASP HA . 17271 1 609 . 2 2 15 15 ASP HB2 H 1 2.526 0.01 . 2 . . . . 15 ASP HB2 . 17271 1 610 . 2 2 15 15 ASP HB3 H 1 2.807 0.01 . 2 . . . . 15 ASP HB3 . 17271 1 611 . 2 2 15 15 ASP CA C 13 58.280 0.2 . 1 . . . . 15 ASP CA . 17271 1 612 . 2 2 15 15 ASP CB C 13 40.577 0.2 . 1 . . . . 15 ASP CB . 17271 1 613 . 2 2 15 15 ASP N N 15 120.196 0.2 . 1 . . . . 15 ASP N . 17271 1 614 . 2 2 16 16 ARG H H 1 7.899 0.01 . 1 . . . . 16 ARG H . 17271 1 615 . 2 2 16 16 ARG HA H 1 4.024 0.01 . 1 . . . . 16 ARG HA . 17271 1 616 . 2 2 16 16 ARG HB2 H 1 2.015 0.01 . 2 . . . . 16 ARG HB2 . 17271 1 617 . 2 2 16 16 ARG HB3 H 1 2.320 0.01 . 2 . . . . 16 ARG HB3 . 17271 1 618 . 2 2 16 16 ARG HD2 H 1 3.064 0.01 . 2 . . . . 16 ARG HD2 . 17271 1 619 . 2 2 16 16 ARG HD3 H 1 3.192 0.01 . 2 . . . . 16 ARG HD3 . 17271 1 620 . 2 2 16 16 ARG HE H 1 7.376 0.01 . 1 . . . . 16 ARG HE . 17271 1 621 . 2 2 16 16 ARG CA C 13 60.116 0.2 . 1 . . . . 16 ARG CA . 17271 1 622 . 2 2 16 16 ARG CB C 13 30.374 0.2 . 1 . . . . 16 ARG CB . 17271 1 623 . 2 2 16 16 ARG CD C 13 43.898 0.2 . 1 . . . . 16 ARG CD . 17271 1 624 . 2 2 16 16 ARG N N 15 119.614 0.2 . 1 . . . . 16 ARG N . 17271 1 625 . 2 2 17 17 GLU H H 1 8.080 0.01 . 1 . . . . 17 GLU H . 17271 1 626 . 2 2 17 17 GLU HA H 1 3.990 0.01 . 1 . . . . 17 GLU HA . 17271 1 627 . 2 2 17 17 GLU HB2 H 1 2.080 0.01 . 2 . . . . 17 GLU HB2 . 17271 1 628 . 2 2 17 17 GLU HB3 H 1 2.183 0.01 . 2 . . . . 17 GLU HB3 . 17271 1 629 . 2 2 17 17 GLU HG2 H 1 2.186 0.01 . 2 . . . . 17 GLU HG2 . 17271 1 630 . 2 2 17 17 GLU HG3 H 1 2.391 0.01 . 2 . . . . 17 GLU HG3 . 17271 1 631 . 2 2 17 17 GLU CA C 13 60.040 0.2 . 1 . . . . 17 GLU CA . 17271 1 632 . 2 2 17 17 GLU CB C 13 29.872 0.2 . 1 . . . . 17 GLU CB . 17271 1 633 . 2 2 17 17 GLU CG C 13 36.959 0.2 . 1 . . . . 17 GLU CG . 17271 1 634 . 2 2 17 17 GLU N N 15 121.832 0.2 . 1 . . . . 17 GLU N . 17271 1 635 . 2 2 18 18 ILE H H 1 8.966 0.01 . 1 . . . . 18 ILE H . 17271 1 636 . 2 2 18 18 ILE HA H 1 3.356 0.01 . 1 . . . . 18 ILE HA . 17271 1 637 . 2 2 18 18 ILE HB H 1 2.030 0.01 . 1 . . . . 18 ILE HB . 17271 1 638 . 2 2 18 18 ILE HD11 H 1 0.736 0.01 . 1 . . . . 18 ILE HD11 . 17271 1 639 . 2 2 18 18 ILE HD12 H 1 0.736 0.01 . 1 . . . . 18 ILE HD12 . 17271 1 640 . 2 2 18 18 ILE HD13 H 1 0.736 0.01 . 1 . . . . 18 ILE HD13 . 17271 1 641 . 2 2 18 18 ILE HG21 H 1 0.763 0.01 . 1 . . . . 18 ILE HG21 . 17271 1 642 . 2 2 18 18 ILE HG22 H 1 0.763 0.01 . 1 . . . . 18 ILE HG22 . 17271 1 643 . 2 2 18 18 ILE HG23 H 1 0.763 0.01 . 1 . . . . 18 ILE HG23 . 17271 1 644 . 2 2 18 18 ILE CA C 13 67.131 0.2 . 1 . . . . 18 ILE CA . 17271 1 645 . 2 2 18 18 ILE CB C 13 38.266 0.2 . 1 . . . . 18 ILE CB . 17271 1 646 . 2 2 18 18 ILE CD1 C 13 14.073 0.2 . 1 . . . . 18 ILE CD1 . 17271 1 647 . 2 2 18 18 ILE CG2 C 13 16.981 0.2 . 1 . . . . 18 ILE CG2 . 17271 1 648 . 2 2 18 18 ILE N N 15 121.141 0.2 . 1 . . . . 18 ILE N . 17271 1 649 . 2 2 19 19 THR H H 1 7.973 0.01 . 1 . . . . 19 THR H . 17271 1 650 . 2 2 19 19 THR HA H 1 3.945 0.01 . 1 . . . . 19 THR HA . 17271 1 651 . 2 2 19 19 THR HB H 1 4.136 0.01 . 1 . . . . 19 THR HB . 17271 1 652 . 2 2 19 19 THR HG21 H 1 1.169 0.01 . 1 . . . . 19 THR HG21 . 17271 1 653 . 2 2 19 19 THR HG22 H 1 1.169 0.01 . 1 . . . . 19 THR HG22 . 17271 1 654 . 2 2 19 19 THR HG23 H 1 1.169 0.01 . 1 . . . . 19 THR HG23 . 17271 1 655 . 2 2 19 19 THR CA C 13 67.114 0.2 . 1 . . . . 19 THR CA . 17271 1 656 . 2 2 19 19 THR CB C 13 69.116 0.2 . 1 . . . . 19 THR CB . 17271 1 657 . 2 2 19 19 THR CG2 C 13 22.138 0.2 . 1 . . . . 19 THR CG2 . 17271 1 658 . 2 2 19 19 THR N N 15 115.431 0.2 . 1 . . . . 19 THR N . 17271 1 659 . 2 2 20 20 MET H H 1 7.679 0.01 . 1 . . . . 20 MET H . 17271 1 660 . 2 2 20 20 MET HA H 1 4.110 0.01 . 1 . . . . 20 MET HA . 17271 1 661 . 2 2 20 20 MET HB2 H 1 2.154 0.01 . 1 . . . . 20 MET HB2 . 17271 1 662 . 2 2 20 20 MET HB3 H 1 2.154 0.01 . 1 . . . . 20 MET HB3 . 17271 1 663 . 2 2 20 20 MET HG2 H 1 2.474 0.01 . 2 . . . . 20 MET HG2 . 17271 1 664 . 2 2 20 20 MET HG3 H 1 2.636 0.01 . 2 . . . . 20 MET HG3 . 17271 1 665 . 2 2 20 20 MET CA C 13 59.417 0.2 . 1 . . . . 20 MET CA . 17271 1 666 . 2 2 20 20 MET CB C 13 32.773 0.2 . 1 . . . . 20 MET CB . 17271 1 667 . 2 2 20 20 MET CG C 13 32.289 0.2 . 1 . . . . 20 MET CG . 17271 1 668 . 2 2 20 20 MET N N 15 119.663 0.2 . 1 . . . . 20 MET N . 17271 1 669 . 2 2 21 21 VAL H H 1 8.442 0.01 . 1 . . . . 21 VAL H . 17271 1 670 . 2 2 21 21 VAL HA H 1 3.726 0.01 . 1 . . . . 21 VAL HA . 17271 1 671 . 2 2 21 21 VAL HB H 1 2.101 0.01 . 1 . . . . 21 VAL HB . 17271 1 672 . 2 2 21 21 VAL HG11 H 1 0.955 0.01 . 2 . . . . 21 VAL HG11 . 17271 1 673 . 2 2 21 21 VAL HG12 H 1 0.955 0.01 . 2 . . . . 21 VAL HG12 . 17271 1 674 . 2 2 21 21 VAL HG13 H 1 0.955 0.01 . 2 . . . . 21 VAL HG13 . 17271 1 675 . 2 2 21 21 VAL HG21 H 1 0.976 0.01 . 2 . . . . 21 VAL HG21 . 17271 1 676 . 2 2 21 21 VAL HG22 H 1 0.976 0.01 . 2 . . . . 21 VAL HG22 . 17271 1 677 . 2 2 21 21 VAL HG23 H 1 0.976 0.01 . 2 . . . . 21 VAL HG23 . 17271 1 678 . 2 2 21 21 VAL CA C 13 67.284 0.2 . 1 . . . . 21 VAL CA . 17271 1 679 . 2 2 21 21 VAL CB C 13 31.740 0.2 . 1 . . . . 21 VAL CB . 17271 1 680 . 2 2 21 21 VAL CG1 C 13 24.192 0.2 . 2 . . . . 21 VAL CG1 . 17271 1 681 . 2 2 21 21 VAL CG2 C 13 24.425 0.2 . 2 . . . . 21 VAL CG2 . 17271 1 682 . 2 2 21 21 VAL N N 15 122.123 0.2 . 1 . . . . 21 VAL N . 17271 1 683 . 2 2 22 22 GLU H H 1 8.991 0.01 . 1 . . . . 22 GLU H . 17271 1 684 . 2 2 22 22 GLU HA H 1 3.861 0.01 . 1 . . . . 22 GLU HA . 17271 1 685 . 2 2 22 22 GLU HB2 H 1 1.841 0.01 . 2 . . . . 22 GLU HB2 . 17271 1 686 . 2 2 22 22 GLU HB3 H 1 2.283 0.01 . 2 . . . . 22 GLU HB3 . 17271 1 687 . 2 2 22 22 GLU HG2 H 1 2.076 0.01 . 2 . . . . 22 GLU HG2 . 17271 1 688 . 2 2 22 22 GLU HG3 H 1 2.568 0.01 . 2 . . . . 22 GLU HG3 . 17271 1 689 . 2 2 22 22 GLU CA C 13 60.826 0.2 . 1 . . . . 22 GLU CA . 17271 1 690 . 2 2 22 22 GLU CB C 13 29.833 0.2 . 1 . . . . 22 GLU CB . 17271 1 691 . 2 2 22 22 GLU CG C 13 38.195 0.2 . 1 . . . . 22 GLU CG . 17271 1 692 . 2 2 22 22 GLU N N 15 119.441 0.2 . 1 . . . . 22 GLU N . 17271 1 693 . 2 2 23 23 GLN H H 1 8.136 0.01 . 1 . . . . 23 GLN H . 17271 1 694 . 2 2 23 23 GLN HA H 1 4.053 0.01 . 1 . . . . 23 GLN HA . 17271 1 695 . 2 2 23 23 GLN HB2 H 1 2.060 0.01 . 2 . . . . 23 GLN HB2 . 17271 1 696 . 2 2 23 23 GLN HB3 H 1 2.242 0.01 . 2 . . . . 23 GLN HB3 . 17271 1 697 . 2 2 23 23 GLN HE21 H 1 7.426 0.01 . 1 . . . . 23 GLN HE21 . 17271 1 698 . 2 2 23 23 GLN HE22 H 1 6.779 0.01 . 1 . . . . 23 GLN HE22 . 17271 1 699 . 2 2 23 23 GLN HG2 H 1 2.366 0.01 . 2 . . . . 23 GLN HG2 . 17271 1 700 . 2 2 23 23 GLN HG3 H 1 2.602 0.01 . 2 . . . . 23 GLN HG3 . 17271 1 701 . 2 2 23 23 GLN CA C 13 59.363 0.2 . 1 . . . . 23 GLN CA . 17271 1 702 . 2 2 23 23 GLN CB C 13 28.540 0.2 . 1 . . . . 23 GLN CB . 17271 1 703 . 2 2 23 23 GLN N N 15 118.797 0.2 . 1 . . . . 23 GLN N . 17271 1 704 . 2 2 23 23 GLN NE2 N 15 111.425 0.2 . 1 . . . . 23 GLN NE2 . 17271 1 705 . 2 2 24 24 GLN H H 1 8.046 0.01 . 1 . . . . 24 GLN H . 17271 1 706 . 2 2 24 24 GLN HA H 1 4.054 0.01 . 1 . . . . 24 GLN HA . 17271 1 707 . 2 2 24 24 GLN HE21 H 1 7.106 0.01 . 1 . . . . 24 GLN HE21 . 17271 1 708 . 2 2 24 24 GLN HE22 H 1 6.720 0.01 . 1 . . . . 24 GLN HE22 . 17271 1 709 . 2 2 24 24 GLN HG2 H 1 2.342 0.01 . 2 . . . . 24 GLN HG2 . 17271 1 710 . 2 2 24 24 GLN HG3 H 1 2.499 0.01 . 2 . . . . 24 GLN HG3 . 17271 1 711 . 2 2 24 24 GLN CA C 13 59.468 0.2 . 1 . . . . 24 GLN CA . 17271 1 712 . 2 2 24 24 GLN CB C 13 29.360 0.2 . 1 . . . . 24 GLN CB . 17271 1 713 . 2 2 24 24 GLN CG C 13 34.598 0.2 . 1 . . . . 24 GLN CG . 17271 1 714 . 2 2 24 24 GLN N N 15 121.123 0.2 . 1 . . . . 24 GLN N . 17271 1 715 . 2 2 24 24 GLN NE2 N 15 109.416 0.2 . 1 . . . . 24 GLN NE2 . 17271 1 716 . 2 2 25 25 ILE H H 1 8.762 0.01 . 1 . . . . 25 ILE H . 17271 1 717 . 2 2 25 25 ILE HA H 1 3.395 0.01 . 1 . . . . 25 ILE HA . 17271 1 718 . 2 2 25 25 ILE HB H 1 1.846 0.01 . 1 . . . . 25 ILE HB . 17271 1 719 . 2 2 25 25 ILE HD11 H 1 0.719 0.01 . 1 . . . . 25 ILE HD11 . 17271 1 720 . 2 2 25 25 ILE HD12 H 1 0.719 0.01 . 1 . . . . 25 ILE HD12 . 17271 1 721 . 2 2 25 25 ILE HD13 H 1 0.719 0.01 . 1 . . . . 25 ILE HD13 . 17271 1 722 . 2 2 25 25 ILE HG21 H 1 0.846 0.01 . 1 . . . . 25 ILE HG21 . 17271 1 723 . 2 2 25 25 ILE HG22 H 1 0.846 0.01 . 1 . . . . 25 ILE HG22 . 17271 1 724 . 2 2 25 25 ILE HG23 H 1 0.846 0.01 . 1 . . . . 25 ILE HG23 . 17271 1 725 . 2 2 25 25 ILE CA C 13 67.319 0.2 . 1 . . . . 25 ILE CA . 17271 1 726 . 2 2 25 25 ILE CB C 13 38.651 0.2 . 1 . . . . 25 ILE CB . 17271 1 727 . 2 2 25 25 ILE CD1 C 13 15.044 0.2 . 1 . . . . 25 ILE CD1 . 17271 1 728 . 2 2 25 25 ILE CG2 C 13 18.192 0.2 . 1 . . . . 25 ILE CG2 . 17271 1 729 . 2 2 25 25 ILE N N 15 120.189 0.2 . 1 . . . . 25 ILE N . 17271 1 730 . 2 2 26 26 SER H H 1 8.033 0.01 . 1 . . . . 26 SER H . 17271 1 731 . 2 2 26 26 SER HA H 1 4.024 0.01 . 1 . . . . 26 SER HA . 17271 1 732 . 2 2 26 26 SER HB2 H 1 3.891 0.01 . 2 . . . . 26 SER HB2 . 17271 1 733 . 2 2 26 26 SER HB3 H 1 3.906 0.01 . 2 . . . . 26 SER HB3 . 17271 1 734 . 2 2 26 26 SER CA C 13 62.260 0.2 . 1 . . . . 26 SER CA . 17271 1 735 . 2 2 26 26 SER CB C 13 63.000 0.2 . 1 . . . . 26 SER CB . 17271 1 736 . 2 2 26 26 SER N N 15 113.771 0.2 . 1 . . . . 26 SER N . 17271 1 737 . 2 2 27 27 LYS H H 1 7.764 0.01 . 1 . . . . 27 LYS H . 17271 1 738 . 2 2 27 27 LYS HA H 1 3.942 0.01 . 1 . . . . 27 LYS HA . 17271 1 739 . 2 2 27 27 LYS HB2 H 1 1.858 0.01 . 1 . . . . 27 LYS HB2 . 17271 1 740 . 2 2 27 27 LYS HB3 H 1 1.858 0.01 . 1 . . . . 27 LYS HB3 . 17271 1 741 . 2 2 27 27 LYS HE2 H 1 2.874 0.01 . 1 . . . . 27 LYS HE2 . 17271 1 742 . 2 2 27 27 LYS HE3 H 1 2.874 0.01 . 1 . . . . 27 LYS HE3 . 17271 1 743 . 2 2 27 27 LYS CA C 13 60.212 0.2 . 1 . . . . 27 LYS CA . 17271 1 744 . 2 2 27 27 LYS CB C 13 32.952 0.2 . 1 . . . . 27 LYS CB . 17271 1 745 . 2 2 27 27 LYS N N 15 120.484 0.2 . 1 . . . . 27 LYS N . 17271 1 746 . 2 2 28 28 LEU H H 1 8.081 0.01 . 1 . . . . 28 LEU H . 17271 1 747 . 2 2 28 28 LEU HA H 1 4.018 0.01 . 1 . . . . 28 LEU HA . 17271 1 748 . 2 2 28 28 LEU HD11 H 1 0.783 0.01 . 2 . . . . 28 LEU HD11 . 17271 1 749 . 2 2 28 28 LEU HD12 H 1 0.783 0.01 . 2 . . . . 28 LEU HD12 . 17271 1 750 . 2 2 28 28 LEU HD13 H 1 0.783 0.01 . 2 . . . . 28 LEU HD13 . 17271 1 751 . 2 2 28 28 LEU HD21 H 1 0.824 0.01 . 2 . . . . 28 LEU HD21 . 17271 1 752 . 2 2 28 28 LEU HD22 H 1 0.824 0.01 . 2 . . . . 28 LEU HD22 . 17271 1 753 . 2 2 28 28 LEU HD23 H 1 0.824 0.01 . 2 . . . . 28 LEU HD23 . 17271 1 754 . 2 2 28 28 LEU CA C 13 58.338 0.2 . 1 . . . . 28 LEU CA . 17271 1 755 . 2 2 28 28 LEU CB C 13 42.655 0.2 . 1 . . . . 28 LEU CB . 17271 1 756 . 2 2 28 28 LEU CD1 C 13 27.380 0.2 . 2 . . . . 28 LEU CD1 . 17271 1 757 . 2 2 28 28 LEU CD2 C 13 23.567 0.2 . 2 . . . . 28 LEU CD2 . 17271 1 758 . 2 2 28 28 LEU N N 15 120.941 0.2 . 1 . . . . 28 LEU N . 17271 1 759 . 2 2 29 29 LYS H H 1 8.910 0.01 . 1 . . . . 29 LYS H . 17271 1 760 . 2 2 29 29 LYS HA H 1 3.891 0.01 . 1 . . . . 29 LYS HA . 17271 1 761 . 2 2 29 29 LYS HB2 H 1 1.720 0.01 . 2 . . . . 29 LYS HB2 . 17271 1 762 . 2 2 29 29 LYS HB3 H 1 1.905 0.01 . 2 . . . . 29 LYS HB3 . 17271 1 763 . 2 2 29 29 LYS HD2 H 1 1.566 0.01 . 1 . . . . 29 LYS HD2 . 17271 1 764 . 2 2 29 29 LYS HD3 H 1 1.566 0.01 . 1 . . . . 29 LYS HD3 . 17271 1 765 . 2 2 29 29 LYS HE2 H 1 2.737 0.01 . 1 . . . . 29 LYS HE2 . 17271 1 766 . 2 2 29 29 LYS HE3 H 1 2.737 0.01 . 1 . . . . 29 LYS HE3 . 17271 1 767 . 2 2 29 29 LYS CA C 13 60.457 0.2 . 1 . . . . 29 LYS CA . 17271 1 768 . 2 2 29 29 LYS CB C 13 32.542 0.2 . 1 . . . . 29 LYS CB . 17271 1 769 . 2 2 29 29 LYS N N 15 120.373 0.2 . 1 . . . . 29 LYS N . 17271 1 770 . 2 2 30 30 LYS H H 1 7.552 0.01 . 1 . . . . 30 LYS H . 17271 1 771 . 2 2 30 30 LYS HA H 1 4.084 0.01 . 1 . . . . 30 LYS HA . 17271 1 772 . 2 2 30 30 LYS HB2 H 1 1.870 0.01 . 1 . . . . 30 LYS HB2 . 17271 1 773 . 2 2 30 30 LYS HB3 H 1 1.870 0.01 . 1 . . . . 30 LYS HB3 . 17271 1 774 . 2 2 30 30 LYS CA C 13 59.528 0.2 . 1 . . . . 30 LYS CA . 17271 1 775 . 2 2 30 30 LYS CB C 13 32.164 0.2 . 1 . . . . 30 LYS CB . 17271 1 776 . 2 2 30 30 LYS N N 15 120.142 0.2 . 1 . . . . 30 LYS N . 17271 1 777 . 2 2 31 31 LYS H H 1 7.555 0.01 . 1 . . . . 31 LYS H . 17271 1 778 . 2 2 31 31 LYS HA H 1 4.093 0.01 . 1 . . . . 31 LYS HA . 17271 1 779 . 2 2 31 31 LYS HB2 H 1 1.893 0.01 . 2 . . . . 31 LYS HB2 . 17271 1 780 . 2 2 31 31 LYS HB3 H 1 2.016 0.01 . 2 . . . . 31 LYS HB3 . 17271 1 781 . 2 2 31 31 LYS HD2 H 1 1.648 0.01 . 1 . . . . 31 LYS HD2 . 17271 1 782 . 2 2 31 31 LYS HD3 H 1 1.648 0.01 . 1 . . . . 31 LYS HD3 . 17271 1 783 . 2 2 31 31 LYS HE2 H 1 2.868 0.01 . 1 . . . . 31 LYS HE2 . 17271 1 784 . 2 2 31 31 LYS HE3 H 1 2.865 0.01 . 1 . . . . 31 LYS HE3 . 17271 1 785 . 2 2 31 31 LYS HG2 H 1 1.438 0.01 . 1 . . . . 31 LYS HG2 . 17271 1 786 . 2 2 31 31 LYS HG3 H 1 1.438 0.01 . 1 . . . . 31 LYS HG3 . 17271 1 787 . 2 2 31 31 LYS CA C 13 59.210 0.2 . 1 . . . . 31 LYS CA . 17271 1 788 . 2 2 31 31 LYS CB C 13 31.810 0.2 . 1 . . . . 31 LYS CB . 17271 1 789 . 2 2 31 31 LYS CE C 13 42.157 0.2 . 1 . . . . 31 LYS CE . 17271 1 790 . 2 2 31 31 LYS N N 15 121.179 0.2 . 1 . . . . 31 LYS N . 17271 1 791 . 2 2 32 32 GLN H H 1 8.874 0.01 . 1 . . . . 32 GLN H . 17271 1 792 . 2 2 32 32 GLN HA H 1 3.615 0.01 . 1 . . . . 32 GLN HA . 17271 1 793 . 2 2 32 32 GLN HB2 H 1 2.069 0.01 . 1 . . . . 32 GLN HB2 . 17271 1 794 . 2 2 32 32 GLN HB3 H 1 2.069 0.01 . 1 . . . . 32 GLN HB3 . 17271 1 795 . 2 2 32 32 GLN HE21 H 1 7.674 0.01 . 1 . . . . 32 GLN HE21 . 17271 1 796 . 2 2 32 32 GLN HE22 H 1 6.390 0.01 . 1 . . . . 32 GLN HE22 . 17271 1 797 . 2 2 32 32 GLN CA C 13 59.318 0.2 . 1 . . . . 32 GLN CA . 17271 1 798 . 2 2 32 32 GLN CB C 13 28.211 0.2 . 1 . . . . 32 GLN CB . 17271 1 799 . 2 2 32 32 GLN N N 15 119.471 0.2 . 1 . . . . 32 GLN N . 17271 1 800 . 2 2 32 32 GLN NE2 N 15 108.410 0.2 . 1 . . . . 32 GLN NE2 . 17271 1 801 . 2 2 33 33 GLN H H 1 7.746 0.01 . 1 . . . . 33 GLN H . 17271 1 802 . 2 2 33 33 GLN HA H 1 4.015 0.01 . 1 . . . . 33 GLN HA . 17271 1 803 . 2 2 33 33 GLN HB2 H 1 2.104 0.01 . 1 . . . . 33 GLN HB2 . 17271 1 804 . 2 2 33 33 GLN HB3 H 1 2.104 0.01 . 1 . . . . 33 GLN HB3 . 17271 1 805 . 2 2 33 33 GLN HE21 H 1 7.617 0.01 . 1 . . . . 33 GLN HE21 . 17271 1 806 . 2 2 33 33 GLN HE22 H 1 6.735 0.01 . 1 . . . . 33 GLN HE22 . 17271 1 807 . 2 2 33 33 GLN CB C 13 28.434 0.2 . 1 . . . . 33 GLN CB . 17271 1 808 . 2 2 33 33 GLN N N 15 117.254 0.2 . 1 . . . . 33 GLN N . 17271 1 809 . 2 2 33 33 GLN NE2 N 15 111.930 0.2 . 1 . . . . 33 GLN NE2 . 17271 1 810 . 2 2 34 34 GLN H H 1 7.749 0.01 . 1 . . . . 34 GLN H . 17271 1 811 . 2 2 34 34 GLN HA H 1 4.001 0.01 . 1 . . . . 34 GLN HA . 17271 1 812 . 2 2 34 34 GLN HB2 H 1 2.166 0.01 . 1 . . . . 34 GLN HB2 . 17271 1 813 . 2 2 34 34 GLN HB3 H 1 2.166 0.01 . 1 . . . . 34 GLN HB3 . 17271 1 814 . 2 2 34 34 GLN HE21 H 1 7.620 0.01 . 1 . . . . 34 GLN HE21 . 17271 1 815 . 2 2 34 34 GLN HE22 H 1 6.766 0.01 . 1 . . . . 34 GLN HE22 . 17271 1 816 . 2 2 34 34 GLN CA C 13 59.501 0.2 . 1 . . . . 34 GLN CA . 17271 1 817 . 2 2 34 34 GLN CB C 13 28.465 0.2 . 1 . . . . 34 GLN CB . 17271 1 818 . 2 2 34 34 GLN N N 15 118.996 0.2 . 1 . . . . 34 GLN N . 17271 1 819 . 2 2 34 34 GLN NE2 N 15 111.847 0.2 . 1 . . . . 34 GLN NE2 . 17271 1 820 . 2 2 35 35 LEU H H 1 8.370 0.01 . 1 . . . . 35 LEU H . 17271 1 821 . 2 2 35 35 LEU HA H 1 4.015 0.01 . 1 . . . . 35 LEU HA . 17271 1 822 . 2 2 35 35 LEU HB2 H 1 1.346 0.01 . 2 . . . . 35 LEU HB2 . 17271 1 823 . 2 2 35 35 LEU HB3 H 1 1.999 0.01 . 2 . . . . 35 LEU HB3 . 17271 1 824 . 2 2 35 35 LEU HD11 H 1 0.667 0.01 . 2 . . . . 35 LEU HD11 . 17271 1 825 . 2 2 35 35 LEU HD12 H 1 0.667 0.01 . 2 . . . . 35 LEU HD12 . 17271 1 826 . 2 2 35 35 LEU HD13 H 1 0.667 0.01 . 2 . . . . 35 LEU HD13 . 17271 1 827 . 2 2 35 35 LEU HD21 H 1 0.821 0.01 . 2 . . . . 35 LEU HD21 . 17271 1 828 . 2 2 35 35 LEU HD22 H 1 0.821 0.01 . 2 . . . . 35 LEU HD22 . 17271 1 829 . 2 2 35 35 LEU HD23 H 1 0.821 0.01 . 2 . . . . 35 LEU HD23 . 17271 1 830 . 2 2 35 35 LEU CA C 13 58.067 0.2 . 1 . . . . 35 LEU CA . 17271 1 831 . 2 2 35 35 LEU CB C 13 43.134 0.2 . 1 . . . . 35 LEU CB . 17271 1 832 . 2 2 35 35 LEU CD1 C 13 26.219 0.2 . 2 . . . . 35 LEU CD1 . 17271 1 833 . 2 2 35 35 LEU CD2 C 13 22.868 0.2 . 2 . . . . 35 LEU CD2 . 17271 1 834 . 2 2 35 35 LEU N N 15 119.707 0.2 . 1 . . . . 35 LEU N . 17271 1 835 . 2 2 36 36 GLU H H 1 8.566 0.01 . 1 . . . . 36 GLU H . 17271 1 836 . 2 2 36 36 GLU HA H 1 3.902 0.01 . 1 . . . . 36 GLU HA . 17271 1 837 . 2 2 36 36 GLU HB2 H 1 1.879 0.01 . 2 . . . . 36 GLU HB2 . 17271 1 838 . 2 2 36 36 GLU HB3 H 1 2.182 0.01 . 2 . . . . 36 GLU HB3 . 17271 1 839 . 2 2 36 36 GLU HG2 H 1 2.148 0.01 . 2 . . . . 36 GLU HG2 . 17271 1 840 . 2 2 36 36 GLU HG3 H 1 2.521 0.01 . 2 . . . . 36 GLU HG3 . 17271 1 841 . 2 2 36 36 GLU CA C 13 59.711 0.2 . 1 . . . . 36 GLU CA . 17271 1 842 . 2 2 36 36 GLU CB C 13 29.795 0.2 . 1 . . . . 36 GLU CB . 17271 1 843 . 2 2 36 36 GLU CG C 13 38.143 0.2 . 1 . . . . 36 GLU CG . 17271 1 844 . 2 2 36 36 GLU N N 15 120.297 0.2 . 1 . . . . 36 GLU N . 17271 1 845 . 2 2 37 37 GLU H H 1 8.073 0.01 . 1 . . . . 37 GLU H . 17271 1 846 . 2 2 37 37 GLU HA H 1 3.999 0.01 . 1 . . . . 37 GLU HA . 17271 1 847 . 2 2 37 37 GLU HB2 H 1 2.006 0.01 . 2 . . . . 37 GLU HB2 . 17271 1 848 . 2 2 37 37 GLU HB3 H 1 2.128 0.01 . 2 . . . . 37 GLU HB3 . 17271 1 849 . 2 2 37 37 GLU CA C 13 59.373 0.2 . 1 . . . . 37 GLU CA . 17271 1 850 . 2 2 37 37 GLU CB C 13 29.705 0.2 . 1 . . . . 37 GLU CB . 17271 1 851 . 2 2 37 37 GLU N N 15 120.008 0.2 . 1 . . . . 37 GLU N . 17271 1 852 . 2 2 38 38 GLU H H 1 7.963 0.01 . 1 . . . . 38 GLU H . 17271 1 853 . 2 2 38 38 GLU HA H 1 3.996 0.01 . 1 . . . . 38 GLU HA . 17271 1 854 . 2 2 38 38 GLU HB2 H 1 2.011 0.01 . 1 . . . . 38 GLU HB2 . 17271 1 855 . 2 2 38 38 GLU HB3 H 1 2.011 0.01 . 1 . . . . 38 GLU HB3 . 17271 1 856 . 2 2 38 38 GLU CA C 13 58.664 0.2 . 1 . . . . 38 GLU CA . 17271 1 857 . 2 2 38 38 GLU CB C 13 30.091 0.2 . 1 . . . . 38 GLU CB . 17271 1 858 . 2 2 38 38 GLU N N 15 118.833 0.2 . 1 . . . . 38 GLU N . 17271 1 859 . 2 2 39 39 ALA H H 1 7.643 0.01 . 1 . . . . 39 ALA H . 17271 1 860 . 2 2 39 39 ALA HA H 1 4.162 0.01 . 1 . . . . 39 ALA HA . 17271 1 861 . 2 2 39 39 ALA HB1 H 1 1.369 0.01 . 1 . . . . 39 ALA HB1 . 17271 1 862 . 2 2 39 39 ALA HB2 H 1 1.369 0.01 . 1 . . . . 39 ALA HB2 . 17271 1 863 . 2 2 39 39 ALA HB3 H 1 1.369 0.01 . 1 . . . . 39 ALA HB3 . 17271 1 864 . 2 2 39 39 ALA CA C 13 53.501 0.2 . 1 . . . . 39 ALA CA . 17271 1 865 . 2 2 39 39 ALA CB C 13 18.990 0.2 . 1 . . . . 39 ALA CB . 17271 1 866 . 2 2 39 39 ALA N N 15 120.844 0.2 . 1 . . . . 39 ALA N . 17271 1 867 . 2 2 40 40 ALA H H 1 7.540 0.01 . 1 . . . . 40 ALA H . 17271 1 868 . 2 2 40 40 ALA HA H 1 4.204 0.01 . 1 . . . . 40 ALA HA . 17271 1 869 . 2 2 40 40 ALA HB1 H 1 1.330 0.01 . 1 . . . . 40 ALA HB1 . 17271 1 870 . 2 2 40 40 ALA HB2 H 1 1.330 0.01 . 1 . . . . 40 ALA HB2 . 17271 1 871 . 2 2 40 40 ALA HB3 H 1 1.330 0.01 . 1 . . . . 40 ALA HB3 . 17271 1 872 . 2 2 40 40 ALA CA C 13 52.671 0.2 . 1 . . . . 40 ALA CA . 17271 1 873 . 2 2 40 40 ALA CB C 13 19.386 0.2 . 1 . . . . 40 ALA CB . 17271 1 874 . 2 2 40 40 ALA N N 15 120.375 0.2 . 1 . . . . 40 ALA N . 17271 1 875 . 2 2 41 41 LYS H H 1 7.739 0.01 . 1 . . . . 41 LYS H . 17271 1 876 . 2 2 41 41 LYS HA H 1 4.468 0.01 . 1 . . . . 41 LYS HA . 17271 1 877 . 2 2 41 41 LYS HB2 H 1 1.696 0.01 . 2 . . . . 41 LYS HB2 . 17271 1 878 . 2 2 41 41 LYS HB3 H 1 1.791 0.01 . 2 . . . . 41 LYS HB3 . 17271 1 879 . 2 2 41 41 LYS HD2 H 1 1.612 0.01 . 1 . . . . 41 LYS HD2 . 17271 1 880 . 2 2 41 41 LYS HD3 H 1 1.612 0.01 . 1 . . . . 41 LYS HD3 . 17271 1 881 . 2 2 41 41 LYS HE2 H 1 2.901 0.01 . 1 . . . . 41 LYS HE2 . 17271 1 882 . 2 2 41 41 LYS HE3 H 1 2.901 0.01 . 1 . . . . 41 LYS HE3 . 17271 1 883 . 2 2 41 41 LYS HG2 H 1 1.400 0.01 . 2 . . . . 41 LYS HG2 . 17271 1 884 . 2 2 41 41 LYS HG3 H 1 1.489 0.01 . 2 . . . . 41 LYS HG3 . 17271 1 885 . 2 2 41 41 LYS CA C 13 54.481 0.2 . 1 . . . . 41 LYS CA . 17271 1 886 . 2 2 41 41 LYS CB C 13 32.594 0.2 . 1 . . . . 41 LYS CB . 17271 1 887 . 2 2 41 41 LYS CD C 13 29.614 0.2 . 1 . . . . 41 LYS CD . 17271 1 888 . 2 2 41 41 LYS CG C 13 24.929 0.2 . 1 . . . . 41 LYS CG . 17271 1 889 . 2 2 41 41 LYS N N 15 121.833 0.2 . 1 . . . . 41 LYS N . 17271 1 890 . 2 2 42 42 PRO HA H 1 4.145 0.01 . 1 . . . . 42 PRO HA . 17271 1 891 . 2 2 42 42 PRO HB2 H 1 1.786 0.01 . 2 . . . . 42 PRO HB2 . 17271 1 892 . 2 2 42 42 PRO HB3 H 1 2.128 0.01 . 2 . . . . 42 PRO HB3 . 17271 1 893 . 2 2 42 42 PRO HD2 H 1 3.532 0.01 . 2 . . . . 42 PRO HD2 . 17271 1 894 . 2 2 42 42 PRO HD3 H 1 3.696 0.01 . 2 . . . . 42 PRO HD3 . 17271 1 895 . 2 2 42 42 PRO HG2 H 1 1.880 0.01 . 1 . . . . 42 PRO HG2 . 17271 1 896 . 2 2 42 42 PRO HG3 H 1 1.880 0.01 . 1 . . . . 42 PRO HG3 . 17271 1 897 . 2 2 42 42 PRO CA C 13 65.039 0.2 . 1 . . . . 42 PRO CA . 17271 1 898 . 2 2 42 42 PRO CB C 13 32.379 0.2 . 1 . . . . 42 PRO CB . 17271 1 899 . 2 2 42 42 PRO CD C 13 50.641 0.2 . 1 . . . . 42 PRO CD . 17271 1 900 . 2 2 42 42 PRO CG C 13 27.598 0.2 . 1 . . . . 42 PRO CG . 17271 1 stop_ save_