data_15592 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15592 _Entry.Title ; NMR structure of the ubiquitin associated (UBA) domain of p62 (SQSTM1) in complex with ubiquitin. RDC refined ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-12 _Entry.Accession_date 2007-12-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jed Long . E. . 15592 2 Robert Layfield . . . 15592 3 Mark Searle . S. . 15592 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' . 15592 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'helical bundle' . 15592 'three helices' . 15592 'ubiquitin associated domain' . 15592 'ubiquitin binding' . 15592 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15592 RDCs 1 15592 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 227 15592 '15N chemical shifts' 53 15592 '1H chemical shifts' 339 15592 'residual dipolar couplings' 45 15592 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 4 . . 2010-05-26 2007-12-12 update BMRB 'Update entity name' 15592 3 . . 2009-02-05 2007-12-12 update BMRB 'Update the RDC table' 15592 2 . . 2008-07-07 2007-12-12 update BMRB 'complete entry citation' 15592 1 . . 2008-01-16 2007-12-12 original author 'original release' 15592 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JY8 'BMRB Entry Tracking System' 15592 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15592 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18083707 _Citation.Full_citation . _Citation.Title 'Ubiquitin recognition by the ubiquitin-associated domain of p62 involves a novel conformational switch' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 283 _Citation.Journal_issue 9 _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 5427 _Citation.Page_last 5440 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jed Long . E. . 15592 1 2 Thomas Gallagher . R. . 15592 1 3 James Cavey . R. . 15592 1 4 Paul Sheppard . W. . 15592 1 5 Stuart Ralston . H. . 15592 1 6 Robert Layfield . . . 15592 1 7 Mark Searle . S. . 15592 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'helical bundle' 15592 1 rearrangement 15592 1 'ubiquitin binding' 15592 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15592 _Assembly.ID 1 _Assembly.Name 'P62_UBA in complex with ubiquitin' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _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 P62_UBA 1 $entity A . yes native no no . . . 15592 1 2 ubiquitin 2 $ubiquitin B . no native no no . . . 15592 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 15592 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name P62_UBA _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 ; GSPPEADPRLIESLSQMLSM GFSDEGGWLTRLLQTKNYDI GAALDTIQYSKH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 1-2 are cloning artifacts. This is the UBA domain of P62, residues 387-436' _Entity.Polymer_author_seq_details P62_UBA _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 52 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11149 . "p62 UBA domain" . . . . . 92.31 53 100.00 100.00 1.58e-25 . . . . 15592 1 2 no BMRB 11443 . P62/SEQUESTOSOME-1 . . . . . 92.31 53 100.00 100.00 1.58e-25 . . . . 15592 1 3 no BMRB 15591 . P62_UBA . . . . . 100.00 52 100.00 100.00 4.66e-29 . . . . 15592 1 4 no PDB 1Q02 . "Nmr Structure Of The Uba Domain Of P62 (Sqstm1)" . . . . . 100.00 52 100.00 100.00 4.66e-29 . . . . 15592 1 5 no PDB 2JY7 . "Nmr Structure Of The Ubiquitin Associated (Uba) Domain Of P62 (Sqstm1). Rdc Refined" . . . . . 100.00 52 100.00 100.00 4.66e-29 . . . . 15592 1 6 no PDB 2JY8 . "Nmr Structure Of The Ubiquitin Associated (Uba) Domain Of P62 (Sqstm1) In Complex With Ubiquitin. Rdc Refined" . . . . . 100.00 52 100.00 100.00 4.66e-29 . . . . 15592 1 7 no PDB 2K0B . "Nmr Structure Of The Uba Domain Of P62 (Sqstm1)" . . . . . 100.00 52 100.00 100.00 4.66e-29 . . . . 15592 1 8 no PDB 2KNV . "Nmr Dimer Structure Of The Uba Domain Of P62 (Sqstm1)" . . . . . 100.00 52 100.00 100.00 4.66e-29 . . . . 15592 1 9 no PDB 2RRU . "Solution Structure Of The Uba Omain Of P62 And Its Interaction With Ubiquitin" . . . . . 92.31 53 100.00 100.00 1.58e-25 . . . . 15592 1 10 no PDB 3B0F . "Crystal Structure Of The Uba Domain Of P62 And Its Interaction With Ubiquitin" . . . . . 92.31 53 100.00 100.00 1.58e-25 . . . . 15592 1 11 no DBJ BAC26183 . "unnamed protein product [Mus musculus]" . . . . . 92.31 404 100.00 100.00 1.17e-23 . . . . 15592 1 12 no DBJ BAG35358 . "unnamed protein product [Homo sapiens]" . . . . . 96.15 440 100.00 100.00 1.79e-25 . . . . 15592 1 13 no DBJ BAG53577 . "unnamed protein product [Homo sapiens]" . . . . . 96.15 356 100.00 100.00 1.42e-25 . . . . 15592 1 14 no DBJ BAG65614 . "unnamed protein product [Homo sapiens]" . . . . . 96.15 296 100.00 100.00 7.77e-26 . . . . 15592 1 15 no DBJ BAI46491 . "sequestosome 1 [synthetic construct]" . . . . . 96.15 440 100.00 100.00 1.79e-25 . . . . 15592 1 16 no EMBL CAA69642 . "PKC-zeta-interacting protein (ZIP) [Rattus norvegicus]" . . . . . 96.15 439 100.00 100.00 2.01e-25 . . . . 15592 1 17 no EMBL CAH90955 . "hypothetical protein [Pongo abelii]" . . . . . 96.15 440 98.00 98.00 1.01e-23 . . . . 15592 1 18 no GB AAA93299 . "p60 [Homo sapiens]" . . . . . 96.15 440 100.00 100.00 1.81e-25 . . . . 15592 1 19 no GB AAB02908 . "STONE14 [Mus musculus]" . . . . . 96.15 442 100.00 100.00 2.05e-25 . . . . 15592 1 20 no GB AAB17127 . "oxidative stress-induced protein [Mus musculus]" . . . . . 96.15 442 100.00 100.00 2.05e-25 . . . . 15592 1 21 no GB AAC50535 . "phosphotyrosine independent ligand p62B for the Lck SH2 domain B-cell isoform, partial [Homo sapiens]" . . . . . 96.15 420 100.00 100.00 1.75e-25 . . . . 15592 1 22 no GB AAC52070 . "phosphotyrosine independent ligand for the Lck SH2 domain p62 [Homo sapiens]" . . . . . 96.15 440 100.00 100.00 1.79e-25 . . . . 15592 1 23 no REF NP_001125548 . "sequestosome-1 [Pongo abelii]" . . . . . 96.15 440 98.00 98.00 1.01e-23 . . . . 15592 1 24 no REF NP_001135770 . "sequestosome-1 isoform 2 [Homo sapiens]" . . . . . 96.15 356 100.00 100.00 1.42e-25 . . . . 15592 1 25 no REF NP_001135771 . "sequestosome-1 isoform 2 [Homo sapiens]" . . . . . 96.15 356 100.00 100.00 1.42e-25 . . . . 15592 1 26 no REF NP_001156515 . "sequestosome-1 [Ovis aries]" . . . . . 96.15 440 100.00 100.00 2.13e-25 . . . . 15592 1 27 no REF NP_001253287 . "sequestosome-1 [Macaca mulatta]" . . . . . 96.15 439 100.00 100.00 1.95e-25 . . . . 15592 1 28 no SP O08623 . "RecName: Full=Sequestosome-1; AltName: Full=Protein kinase C-zeta-interacting protein; Short=PKC-zeta-interacting protein; AltN" . . . . . 96.15 439 100.00 100.00 2.01e-25 . . . . 15592 1 29 no SP Q13501 . "RecName: Full=Sequestosome-1; AltName: Full=EBI3-associated protein of 60 kDa; Short=EBIAP; Short=p60; AltName: Full=Phosphotyr" . . . . . 96.15 440 100.00 100.00 1.79e-25 . . . . 15592 1 30 no SP Q5RBA5 . "RecName: Full=Sequestosome-1; AltName: Full=Ubiquitin-binding protein p62" . . . . . 96.15 440 98.00 98.00 1.01e-23 . . . . 15592 1 31 no SP Q64337 . "RecName: Full=Sequestosome-1; AltName: Full=STONE14; AltName: Full=Ubiquitin-binding protein p62" . . . . . 96.15 442 100.00 100.00 2.05e-25 . . . . 15592 1 32 no TPG DAA28341 . "TPA: sequestosome 1 [Bos taurus]" . . . . . 96.15 440 100.00 100.00 1.94e-25 . . . . 15592 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'NFkB signalling' 15592 1 'signalling scaffold' 15592 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 . GLY . 15592 1 2 . SER . 15592 1 3 . PRO . 15592 1 4 . PRO . 15592 1 5 . GLU . 15592 1 6 . ALA . 15592 1 7 . ASP . 15592 1 8 . PRO . 15592 1 9 . ARG . 15592 1 10 . LEU . 15592 1 11 . ILE . 15592 1 12 . GLU . 15592 1 13 . SER . 15592 1 14 . LEU . 15592 1 15 . SER . 15592 1 16 . GLN . 15592 1 17 . MET . 15592 1 18 . LEU . 15592 1 19 . SER . 15592 1 20 . MET . 15592 1 21 . GLY . 15592 1 22 . PHE . 15592 1 23 . SER . 15592 1 24 . ASP . 15592 1 25 . GLU . 15592 1 26 . GLY . 15592 1 27 . GLY . 15592 1 28 . TRP . 15592 1 29 . LEU . 15592 1 30 . THR . 15592 1 31 . ARG . 15592 1 32 . LEU . 15592 1 33 . LEU . 15592 1 34 . GLN . 15592 1 35 . THR . 15592 1 36 . LYS . 15592 1 37 . ASN . 15592 1 38 . TYR . 15592 1 39 . ASP . 15592 1 40 . ILE . 15592 1 41 . GLY . 15592 1 42 . ALA . 15592 1 43 . ALA . 15592 1 44 . LEU . 15592 1 45 . ASP . 15592 1 46 . THR . 15592 1 47 . ILE . 15592 1 48 . GLN . 15592 1 49 . TYR . 15592 1 50 . SER . 15592 1 51 . LYS . 15592 1 52 . HIS . 15592 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15592 1 . SER 2 2 15592 1 . PRO 3 3 15592 1 . PRO 4 4 15592 1 . GLU 5 5 15592 1 . ALA 6 6 15592 1 . ASP 7 7 15592 1 . PRO 8 8 15592 1 . ARG 9 9 15592 1 . LEU 10 10 15592 1 . ILE 11 11 15592 1 . GLU 12 12 15592 1 . SER 13 13 15592 1 . LEU 14 14 15592 1 . SER 15 15 15592 1 . GLN 16 16 15592 1 . MET 17 17 15592 1 . LEU 18 18 15592 1 . SER 19 19 15592 1 . MET 20 20 15592 1 . GLY 21 21 15592 1 . PHE 22 22 15592 1 . SER 23 23 15592 1 . ASP 24 24 15592 1 . GLU 25 25 15592 1 . GLY 26 26 15592 1 . GLY 27 27 15592 1 . TRP 28 28 15592 1 . LEU 29 29 15592 1 . THR 30 30 15592 1 . ARG 31 31 15592 1 . LEU 32 32 15592 1 . LEU 33 33 15592 1 . GLN 34 34 15592 1 . THR 35 35 15592 1 . LYS 36 36 15592 1 . ASN 37 37 15592 1 . TYR 38 38 15592 1 . ASP 39 39 15592 1 . ILE 40 40 15592 1 . GLY 41 41 15592 1 . ALA 42 42 15592 1 . ALA 43 43 15592 1 . LEU 44 44 15592 1 . ASP 45 45 15592 1 . THR 46 46 15592 1 . ILE 47 47 15592 1 . GLN 48 48 15592 1 . TYR 49 49 15592 1 . SER 50 50 15592 1 . LYS 51 51 15592 1 . HIS 52 52 15592 1 stop_ save_ save_ubiquitin _Entity.Sf_category entity _Entity.Sf_framecode ubiquitin _Entity.Entry_ID 15592 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ubiquitin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQIFVKTLTGKTITLEVESS DTIDNVKSKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-31 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17024 . ubiquitin . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 15592 2 2 no BMRB 4769 . yUb . . . . . 100.00 76 98.68 100.00 1.96e-45 . . . . 15592 2 3 no BMRB 4983 . Ubiquitin . . . . . 98.68 76 98.67 98.67 4.08e-44 . . . . 15592 2 4 no PDB 1OTR . "Solution Structure Of A Cue-Ubiquitin Complex" . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 15592 2 5 no PDB 1Q0W . "Solution Structure Of Vps27 Amino-Terminal Uim-Ubiquitin Complex" . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 15592 2 6 no PDB 1VW8 . "S. Cerevisiae 80s Ribosome Bound With Taura Syndrome Virus (tsv) Ires, 5 Degree Rotation (class Ii). This Entry Contains The La" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 15592 2 7 no PDB 1VW9 . "S. Cerevisiae 80s Ribosome Bound With Taura Syndrome Virus (tsv) Ires, 5 Degree Rotation (class Ii). This Entry Contains The Sm" . . . . . 100.00 152 100.00 100.00 9.08e-46 . . . . 15592 2 8 no PDB 1VWU . "S. Cerevisiae 80s Ribosome Bound With Taura Syndrome Virus (tsv) Ires, 2 Degree Rotation (class I). This Entry Contains The Lar" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 15592 2 9 no PDB 1VWV . "S. Cerevisiae 80s Ribosome Bound With Taura Syndrome Virus (tsv) Ires, 2 Degree Rotation (class I). This Entry Contains The Sma" . . . . . 100.00 152 100.00 100.00 9.08e-46 . . . . 15592 2 10 no PDB 1VXV . "Structures Of Yeast 80s Ribosome-trna Complexes In The Rotated And Non-rotated Conformations (class Ii - Rotated Ribosome With " . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 15592 2 11 no PDB 1VXW . "Structures Of Yeast 80s Ribosome-trna Complexes In The Rotated And Non-rotated Conformations (class Ii - Rotated Ribosome With " . . . . . 100.00 152 100.00 100.00 9.08e-46 . . . . 15592 2 12 no PDB 1VXY . "Structures Of Yeast 80s Ribosome-trna Complexes In The Rotated And Non-rotated Conformations (class I - Non-rotated Ribosome Wi" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 15592 2 13 no PDB 1VXZ . "Structures Of Yeast 80s Ribosome-trna Complexes In The Rotated And Non-rotated Conformations (class I - Non-rotated Ribosome Wi" . . . . . 100.00 152 100.00 100.00 9.08e-46 . . . . 15592 2 14 no PDB 1WR1 . "The Complex Sturcture Of Dsk2p Uba With Ubiquitin" . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 15592 2 15 no PDB 2G3Q . "Solution Structure Of Ede1 Uba-Ubiquitin Complex" . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 15592 2 16 no PDB 2JT4 . "Solution Structure Of The Sla1 Sh3-3-Ubiquitin Complex" . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 15592 2 17 no PDB 2JWZ . "Mutations In The Hydrophobic Core Of Ubiquitin Differentially Affect Its Recognition By Receptor Proteins" . . . . . 100.00 76 98.68 98.68 8.32e-45 . . . . 15592 2 18 no PDB 2L00 . "Solution Structure Of The Non-Covalent Complex Of The Znf216 A20 Domain With Ubiquitin" . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 15592 2 19 no PDB 3CMM . "Crystal Structure Of The Uba1-Ubiquitin Complex" . . . . . 100.00 76 100.00 100.00 8.47e-46 . . . . 15592 2 20 no PDB 3J60 . "Localization Of The Small Subunit Ribosomal Proteins Into A 5.5 A Cryo-em Map Of Triticum Aestivum Translating 80s Ribosome" . . . . . 100.00 155 97.37 100.00 6.54e-45 . . . . 15592 2 21 no PDB 3J80 . "Cryoem Structure Of 40s-eif1-eif1a Preinitiation Complex" . . . . . 100.00 150 100.00 100.00 2.79e-45 . . . . 15592 2 22 no PDB 3J81 . "Cryoem Structure Of A Partial Yeast 48s Preinitiation Complex" . . . . . 100.00 150 100.00 100.00 2.79e-45 . . . . 15592 2 23 no PDB 3L0W . "Structure Of Split Monoubiquitinated Pcna With Ubiquitin In Position Two" . . . . . 100.00 169 100.00 100.00 1.30e-44 . . . . 15592 2 24 no PDB 3L10 . "Structure Of Split Monoubiquitinated Pcna With Ubiquitin In Position One" . . . . . 100.00 169 100.00 100.00 1.30e-44 . . . . 15592 2 25 no PDB 3OLM . "Structure And Function Of A Ubiquitin Binding Site Within The Catalytic Domain Of A Hect Ubiquitin Ligase" . . . . . 100.00 79 100.00 100.00 5.40e-46 . . . . 15592 2 26 no PDB 3U5C . "The Structure Of The Eukaryotic Ribosome At 3.0 A Resolution. This Entry Contains Proteins Of The 40s Subunit, Ribosome A" . . . . . 100.00 152 100.00 100.00 1.67e-45 . . . . 15592 2 27 no PDB 3U5E . "The Structure Of The Eukaryotic Ribosome At 3.0 A Resolution. This Entry Contains Proteins Of The 60s Subunit, Ribosome A" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 15592 2 28 no PDB 3U5G . "The Structure Of The Eukaryotic Ribosome At 3.0 A Resolution. This Entry Contains Proteins Of The 40s Subunit, Ribosome B" . . . . . 100.00 152 100.00 100.00 1.80e-45 . . . . 15592 2 29 no PDB 3U5I . "The Structure Of The Eukaryotic Ribosome At 3.0 A Resolution. This Entry Contains Proteins Of The 60s Subunit, Ribosome B" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 15592 2 30 no PDB 4B6A . "Cryo-Em Structure Of The 60s Ribosomal Subunit In Complex With Arx1 And Rei1" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 15592 2 31 no PDB 4BYL . "Cryo-em Reconstruction Of The 80s-eif5b-met-itrnamet Eukaryotic Translation Initiation Complex" . . . . . 100.00 152 100.00 100.00 1.67e-45 . . . . 15592 2 32 no PDB 4BYN . "Cryo-em Reconstruction Of The 80s-eif5b-met-itrnamet Eukaryotic Translation Initiation Complex" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 15592 2 33 no PDB 4BYT . "Cryo-em Reconstruction Of The 80s-eif5b-met-itrnamet Eukaryotic Translation Initiation Complex" . . . . . 100.00 152 100.00 100.00 1.67e-45 . . . . 15592 2 34 no PDB 4BYU . "Cryo-em Reconstruction Of The 80s-eif5b-met-itrnamet Eukaryotic Translation Initiation Complex" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 15592 2 35 no PDB 4CUW . "Kluyveromyces Lactis 80s Ribosome In Complex With Crpv-ires" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 15592 2 36 no PDB 4HCN . "Crystal Structure Of Burkholderia Pseudomallei Effector Protein Chbp In Complex With Ubiquitin" . . . . . 100.00 98 100.00 100.00 8.40e-46 . . . . 15592 2 37 no PDB 4II3 . "Crystal Structure Of S. Pombe Ubiquitin Activating Enzyme 1 (uba1) In Complex With Ubiquitin And Atp/mg" . . . . . 100.00 96 100.00 100.00 5.66e-46 . . . . 15592 2 38 no PDB 4NNJ . "Crystal Structure Of Uba1 In Complex With Ubiquitin-amp And Thioesterified Ubiquitin" . . . . . 100.00 79 100.00 100.00 4.89e-46 . . . . 15592 2 39 no PDB 4Q5E . "Shigella Effector Kinase Ospg Bound To E2-ub Ubch7-ub Conjugate" . . . . . 98.68 76 98.67 100.00 1.37e-44 . . . . 15592 2 40 no PDB 4Q5H . "Shigella Effector Kinase Ospg Bound To Amppnp And E2-ub Ubch7-ub Conjugate" . . . . . 98.68 76 98.67 100.00 1.37e-44 . . . . 15592 2 41 no DBJ BAA02154 . "ubiquitin/ribosomal polyprotein [Oryza sativa Japonica Group]" . . . . . 100.00 129 97.37 100.00 3.22e-45 . . . . 15592 2 42 no DBJ BAA03764 . "ubiquitin [Glycine max]" . . . . . 100.00 305 97.37 100.00 1.79e-42 . . . . 15592 2 43 no DBJ BAA05085 . "Ubiquitin [Glycine max]" . . . . . 100.00 305 97.37 100.00 1.79e-42 . . . . 15592 2 44 no DBJ BAA05670 . "ubiquitin [Glycine max]" . . . . . 100.00 305 97.37 100.00 1.79e-42 . . . . 15592 2 45 no DBJ BAA76889 . "ubiquitin [Trichophyton mentagrophytes]" . . . . . 100.00 153 98.68 100.00 2.44e-44 . . . . 15592 2 46 no EMBL CAA07773 . "polyubiquitin [Fusarium sambucinum]" . . . . . 100.00 305 100.00 100.00 4.37e-43 . . . . 15592 2 47 no EMBL CAA10056 . "polyubiquitin [Vicia faba]" . . . . . 100.00 229 97.37 100.00 2.91e-43 . . . . 15592 2 48 no EMBL CAA11267 . "polyubiquitin [Nicotiana tabacum]" . . . . . 100.00 305 100.00 100.00 4.37e-43 . . . . 15592 2 49 no EMBL CAA11268 . "ubiquitin extension protein [Nicotiana tabacum]" . . . . . 100.00 156 97.37 100.00 6.73e-45 . . . . 15592 2 50 no EMBL CAA21278 . "ubiquitin [Schizosaccharomyces pombe]" . . . . . 100.00 382 100.00 100.00 2.23e-42 . . . . 15592 2 51 no GB AAA03351 . "ubiquitin/ribosomal protein S27a fusion protein [Neurospora crassa]" . . . . . 100.00 154 98.68 98.68 9.80e-45 . . . . 15592 2 52 no GB AAA19247 . "ubiquitin/ribosomal fusion protein [Solanum tuberosum]" . . . . . 100.00 156 97.37 100.00 9.42e-45 . . . . 15592 2 53 no GB AAA32904 . "ubiquitin extension protein (UBQ1) [Arabidopsis thaliana]" . . . . . 100.00 128 97.37 100.00 2.96e-45 . . . . 15592 2 54 no GB AAA32905 . "ubiquitin extension protein (UBQ2) [Arabidopsis thaliana]" . . . . . 100.00 128 97.37 100.00 2.96e-45 . . . . 15592 2 55 no GB AAA32906 . "ubiquitin extension protein (UBQ5) [Arabidopsis thaliana]" . . . . . 100.00 157 97.37 100.00 7.98e-45 . . . . 15592 2 56 no PIR G85036 . "polyubiquitin [imported] - Arabidopsis thaliana" . . . . . 100.00 305 97.37 100.00 1.79e-42 . . . . 15592 2 57 no PIR JS0657 . "ubiquitin / ribosomal protein S27a - maize" . . . . . 100.00 155 97.37 100.00 6.26e-45 . . . . 15592 2 58 no PIR S28426 . "polyubiquitin 4 - wild oat" . . . . . 100.00 305 97.37 100.00 1.77e-42 . . . . 15592 2 59 no PIR S42643 . "ubiquitin / ribosomal protein S27a - potato (fragment)" . . . . . 100.00 126 97.37 100.00 1.57e-45 . . . . 15592 2 60 no PIR S49332 . "polyubiquitin 4 - common sunflower" . . . . . 100.00 305 97.37 100.00 1.79e-42 . . . . 15592 2 61 no PRF 1101405A . "ubiquitin precursor" . . . . . 50.00 191 100.00 100.00 3.40e-16 . . . . 15592 2 62 no PRF 1207189A . ubiquitin . . . . . 100.00 76 97.37 100.00 3.68e-45 . . . . 15592 2 63 no PRF 1515347A . poly-ubiquitin . . . . . 100.00 382 97.37 100.00 8.03e-42 . . . . 15592 2 64 no PRF 1603402A . poly-ubiquitin . . . . . 100.00 381 97.37 100.00 8.23e-42 . . . . 15592 2 65 no PRF 1604470A . poly-ubiquitin . . . . . 55.26 272 97.62 100.00 2.03e-19 . . . . 15592 2 66 no REF NP_001031585 . "ubiquitin 11 [Arabidopsis thaliana]" . . . . . 100.00 229 97.37 100.00 2.91e-43 . . . . 15592 2 67 no REF NP_001031824 . "polyubiquitin 3 [Arabidopsis thaliana]" . . . . . 100.00 306 97.37 100.00 1.88e-42 . . . . 15592 2 68 no REF NP_001042915 . "Os01g0328400 [Oryza sativa Japonica Group]" . . . . . 100.00 155 97.37 100.00 6.26e-45 . . . . 15592 2 69 no REF NP_001045980 . "Os02g0161900 [Oryza sativa Japonica Group]" . . . . . 100.00 457 97.37 100.00 2.27e-41 . . . . 15592 2 70 no REF NP_001049479 . "Os03g0234200 [Oryza sativa Japonica Group]" . . . . . 100.00 129 97.37 100.00 3.22e-45 . . . . 15592 2 71 no SP B9DHA6 . "RecName: Full=Ubiquitin-60S ribosomal protein L40-1; Contains: RecName: Full=Ubiquitin; Contains: RecName: Full=60S ribosomal p" . . . . . 100.00 128 97.37 100.00 2.96e-45 . . . . 15592 2 72 no SP P05759 . "RecName: Full=Ubiquitin-40S ribosomal protein S31; Contains: RecName: Full=Ubiquitin; Contains: RecName: Full=40S ribosomal pro" . . . . . 100.00 152 100.00 100.00 9.08e-46 . . . . 15592 2 73 no SP P0C016 . "RecName: Full=Ubiquitin-40S ribosomal protein S27a; Contains: RecName: Full=Ubiquitin; Contains: RecName: Full=40S ribosomal pr" . . . . . 100.00 150 100.00 100.00 1.62e-45 . . . . 15592 2 74 no SP P0C224 . "RecName: Full=Ubiquitin-60S ribosomal protein L40; Contains: RecName: Full=Ubiquitin; Contains: RecName: Full=60S ribosomal pro" . . . . . 100.00 128 98.68 98.68 3.49e-45 . . . . 15592 2 75 no SP P0C8R3 . "RecName: Full=Ubiquitin-40S ribosomal protein S27b; Contains: RecName: Full=Ubiquitin; Contains: RecName: Full=40S ribosomal pr" . . . . . 100.00 150 100.00 100.00 1.46e-45 . . . . 15592 2 76 no TPD FAA00316 . "TPA: polyubiquitin [Eremothecium gossypii]" . . . . . 100.00 380 100.00 100.00 1.98e-42 . . . . 15592 2 77 no TPD FAA00317 . "TPA: polyubiquitin [Aspergillus nidulans FGSC A4]" . . . . . 100.00 304 98.68 100.00 1.14e-42 . . . . 15592 2 78 no TPD FAA00318 . "TPA: polyubiquitin [Saccharomyces paradoxus NRRL Y-17217]" . . . . . 100.00 380 100.00 100.00 1.98e-42 . . . . 15592 2 79 no TPD FAA00319 . "TPA: polyubiquitin [Cryptococcus neoformans var. neoformans B-3501A]" . . . . . 100.00 456 98.68 100.00 1.16e-41 . . . . 15592 2 80 no TPE CBF76581 . "TPA: Putative uncharacterized proteinUBI1 ; [Source:UniProtKB/TrEMBL;Acc:Q9UV58] [Aspergillus nidulans FGSC A4]" . . . . . 100.00 154 98.68 100.00 7.23e-45 . . . . 15592 2 81 no TPE CBF85986 . "TPA: Polyubiquitin Fragment [Source:UniProtKB/TrEMBL;Acc:A2RVC1] [Aspergillus nidulans FGSC A4]" . . . . . 100.00 305 98.68 100.00 1.19e-42 . . . . 15592 2 82 no TPG DAA08405 . "TPA: ubiquitin-ribosomal 60S subunit protein L40A fusion protein [Saccharomyces cerevisiae S288c]" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 15592 2 83 no TPG DAA09244 . "TPA: ubiquitin-ribosomal 60S subunit protein L40B fusion protein [Saccharomyces cerevisiae S288c]" . . . . . 100.00 128 100.00 100.00 4.48e-46 . . . . 15592 2 84 no TPG DAA09283 . "TPA: ubiquitin [Saccharomyces cerevisiae S288c]" . . . . . 100.00 381 100.00 100.00 2.02e-42 . . . . 15592 2 85 no TPG DAA09489 . "TPA: ubiquitin-ribosomal 40S subunit protein S31 fusion protein [Saccharomyces cerevisiae S288c]" . . . . . 100.00 152 100.00 100.00 9.08e-46 . . . . 15592 2 86 no TPG DAA39608 . "TPA: Ubiquitin fusion protein [Zea mays]" . . . . . 100.00 129 97.37 100.00 2.18e-45 . . . . 15592 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 . MET . 15592 2 2 . GLN . 15592 2 3 . ILE . 15592 2 4 . PHE . 15592 2 5 . VAL . 15592 2 6 . LYS . 15592 2 7 . THR . 15592 2 8 . LEU . 15592 2 9 . THR . 15592 2 10 . GLY . 15592 2 11 . LYS . 15592 2 12 . THR . 15592 2 13 . ILE . 15592 2 14 . THR . 15592 2 15 . LEU . 15592 2 16 . GLU . 15592 2 17 . VAL . 15592 2 18 . GLU . 15592 2 19 . SER . 15592 2 20 . SER . 15592 2 21 . ASP . 15592 2 22 . THR . 15592 2 23 . ILE . 15592 2 24 . ASP . 15592 2 25 . ASN . 15592 2 26 . VAL . 15592 2 27 . LYS . 15592 2 28 . SER . 15592 2 29 . LYS . 15592 2 30 . ILE . 15592 2 31 . GLN . 15592 2 32 . ASP . 15592 2 33 . LYS . 15592 2 34 . GLU . 15592 2 35 . GLY . 15592 2 36 . ILE . 15592 2 37 . PRO . 15592 2 38 . PRO . 15592 2 39 . ASP . 15592 2 40 . GLN . 15592 2 41 . GLN . 15592 2 42 . ARG . 15592 2 43 . LEU . 15592 2 44 . ILE . 15592 2 45 . PHE . 15592 2 46 . ALA . 15592 2 47 . GLY . 15592 2 48 . LYS . 15592 2 49 . GLN . 15592 2 50 . LEU . 15592 2 51 . GLU . 15592 2 52 . ASP . 15592 2 53 . GLY . 15592 2 54 . ARG . 15592 2 55 . THR . 15592 2 56 . LEU . 15592 2 57 . SER . 15592 2 58 . ASP . 15592 2 59 . TYR . 15592 2 60 . ASN . 15592 2 61 . ILE . 15592 2 62 . GLN . 15592 2 63 . LYS . 15592 2 64 . GLU . 15592 2 65 . SER . 15592 2 66 . THR . 15592 2 67 . LEU . 15592 2 68 . HIS . 15592 2 69 . LEU . 15592 2 70 . VAL . 15592 2 71 . LEU . 15592 2 72 . ARG . 15592 2 73 . LEU . 15592 2 74 . ARG . 15592 2 75 . GLY . 15592 2 76 . GLY . 15592 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 . MET 1 1 15592 2 . GLN 2 2 15592 2 . ILE 3 3 15592 2 . PHE 4 4 15592 2 . VAL 5 5 15592 2 . LYS 6 6 15592 2 . THR 7 7 15592 2 . LEU 8 8 15592 2 . THR 9 9 15592 2 . GLY 10 10 15592 2 . LYS 11 11 15592 2 . THR 12 12 15592 2 . ILE 13 13 15592 2 . THR 14 14 15592 2 . LEU 15 15 15592 2 . GLU 16 16 15592 2 . VAL 17 17 15592 2 . GLU 18 18 15592 2 . SER 19 19 15592 2 . SER 20 20 15592 2 . ASP 21 21 15592 2 . THR 22 22 15592 2 . ILE 23 23 15592 2 . ASP 24 24 15592 2 . ASN 25 25 15592 2 . VAL 26 26 15592 2 . LYS 27 27 15592 2 . SER 28 28 15592 2 . LYS 29 29 15592 2 . ILE 30 30 15592 2 . GLN 31 31 15592 2 . ASP 32 32 15592 2 . LYS 33 33 15592 2 . GLU 34 34 15592 2 . GLY 35 35 15592 2 . ILE 36 36 15592 2 . PRO 37 37 15592 2 . PRO 38 38 15592 2 . ASP 39 39 15592 2 . GLN 40 40 15592 2 . GLN 41 41 15592 2 . ARG 42 42 15592 2 . LEU 43 43 15592 2 . ILE 44 44 15592 2 . PHE 45 45 15592 2 . ALA 46 46 15592 2 . GLY 47 47 15592 2 . LYS 48 48 15592 2 . GLN 49 49 15592 2 . LEU 50 50 15592 2 . GLU 51 51 15592 2 . ASP 52 52 15592 2 . GLY 53 53 15592 2 . ARG 54 54 15592 2 . THR 55 55 15592 2 . LEU 56 56 15592 2 . SER 57 57 15592 2 . ASP 58 58 15592 2 . TYR 59 59 15592 2 . ASN 60 60 15592 2 . ILE 61 61 15592 2 . GLN 62 62 15592 2 . LYS 63 63 15592 2 . GLU 64 64 15592 2 . SER 65 65 15592 2 . THR 66 66 15592 2 . LEU 67 67 15592 2 . HIS 68 68 15592 2 . LEU 69 69 15592 2 . VAL 70 70 15592 2 . LEU 71 71 15592 2 . ARG 72 72 15592 2 . LEU 73 73 15592 2 . ARG 74 74 15592 2 . GLY 75 75 15592 2 . GLY 76 76 15592 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 15592 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . SQSTM1 . . . . 15592 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 15592 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 (DE3) . . . . . . . . . . . . . . pGEX-4T-1 . . . . . . 15592 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15592 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 15592 1 2 ubiquitin . . . 2 $ubiquitin . . 6 . . mM . . . . 15592 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15592 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15592 1 5 'sodium azide' 'natural abundance' . . . . . . 0.04 . . % . . . . 15592 1 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15592 1 7 H2O . . . . . . . 90 . . % . . . . 15592 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15592 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 15592 2 2 ubiquitin . . . 2 $ubiquitin . . 6 . . mM . . . . 15592 2 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15592 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15592 2 5 'sodium azide' 'natural abundance' . . . . . . 0.04 . . % . . . . 15592 2 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15592 2 7 H2O . . . . . . . 90 . . % . . . . 15592 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15592 _Sample.ID 3 _Sample.Type gel _Sample.Sub_type . _Sample.Details '5% Polyacrylamide gel' _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 entity '[U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 15592 3 2 ubiquitin . . . 2 $ubiquitin . . 6 . . mM . . . . 15592 3 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15592 3 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15592 3 5 'sodium azide' 'natural abundance' . . . . . . 0.04 . . % . . . . 15592 3 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15592 3 7 H2O . . . . . . . 90 . . % . . . . 15592 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 15592 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 15592 1 pressure 1 . atm 15592 1 temperature 298 . K 15592 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15592 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.14 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15592 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15592 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15592 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15592 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15592 2 processing 15592 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 15592 _Software.ID 3 _Software.Name CcpNMR _Software.Version 1.0.10 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 15592 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15592 3 'data analysis' 15592 3 'peak picking' 15592 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15592 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15592 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15592 4 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 15592 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15592 _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 . 600 . . . 15592 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 15592 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15592 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15592 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15592 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15592 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15592 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15592 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15592 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15592 1 9 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15592 1 10 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15592 1 11 '2D 1H-15N HSQC-IPAP' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15592 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 15592 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15592 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15592 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15592 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15592 _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' . . . 15592 1 2 '3D 1H-15N TOCSY' . . . 15592 1 3 '3D 1H-15N NOESY' . . . 15592 1 4 '2D 1H-13C HSQC' . . . 15592 1 5 '3D HNCACB' . . . 15592 1 6 '3D CBCA(CO)NH' . . . 15592 1 7 '3D HCCH-TOCSY' . . . 15592 1 8 '3D 1H-13C NOESY' . . . 15592 1 9 '3D HNCO' . . . 15592 1 10 '3D HN(CA)CO' . . . 15592 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CcpNMR . . 15592 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.874 0.000 . 1 . . . . 1 GLY HA2 . 15592 1 2 . 1 1 1 1 GLY CA C 13 43.274 0.000 . 1 . . . . 1 GLY CA . 15592 1 3 . 1 1 2 2 SER HA H 1 4.833 0.002 . 1 . . . . 2 SER HA . 15592 1 4 . 1 1 2 2 SER HB2 H 1 3.739 0.034 . 2 . . . . 2 SER HB2 . 15592 1 5 . 1 1 2 2 SER HB3 H 1 3.911 0.010 . 2 . . . . 2 SER HB3 . 15592 1 6 . 1 1 2 2 SER CA C 13 56.726 0.157 . 1 . . . . 2 SER CA . 15592 1 7 . 1 1 2 2 SER CB C 13 62.829 0.008 . 1 . . . . 2 SER CB . 15592 1 8 . 1 1 3 3 PRO HA H 1 4.754 0.010 . 1 . . . . 3 PRO HA . 15592 1 9 . 1 1 3 3 PRO HB2 H 1 1.964 0.004 . 2 . . . . 3 PRO HB2 . 15592 1 10 . 1 1 3 3 PRO HB3 H 1 2.403 0.006 . 2 . . . . 3 PRO HB3 . 15592 1 11 . 1 1 3 3 PRO HD2 H 1 3.823 0.007 . 2 . . . . 3 PRO HD2 . 15592 1 12 . 1 1 3 3 PRO HD3 H 1 3.955 0.006 . 2 . . . . 3 PRO HD3 . 15592 1 13 . 1 1 3 3 PRO HG2 H 1 2.060 0.002 . 1 . . . . 3 PRO HG2 . 15592 1 14 . 1 1 3 3 PRO CA C 13 61.662 0.116 . 1 . . . . 3 PRO CA . 15592 1 15 . 1 1 3 3 PRO CB C 13 30.795 0.424 . 1 . . . . 3 PRO CB . 15592 1 16 . 1 1 3 3 PRO CD C 13 50.858 0.292 . 1 . . . . 3 PRO CD . 15592 1 17 . 1 1 3 3 PRO CG C 13 27.245 0.222 . 1 . . . . 3 PRO CG . 15592 1 18 . 1 1 4 4 PRO HA H 1 4.429 0.008 . 1 . . . . 4 PRO HA . 15592 1 19 . 1 1 4 4 PRO HB2 H 1 1.945 0.007 . 2 . . . . 4 PRO HB2 . 15592 1 20 . 1 1 4 4 PRO HB3 H 1 2.334 0.009 . 2 . . . . 4 PRO HB3 . 15592 1 21 . 1 1 4 4 PRO HD2 H 1 3.713 0.017 . 2 . . . . 4 PRO HD2 . 15592 1 22 . 1 1 4 4 PRO HD3 H 1 3.887 0.006 . 2 . . . . 4 PRO HD3 . 15592 1 23 . 1 1 4 4 PRO HG2 H 1 2.077 0.005 . 1 . . . . 4 PRO HG2 . 15592 1 24 . 1 1 4 4 PRO C C 13 177.069 0.020 . 1 . . . . 4 PRO C . 15592 1 25 . 1 1 4 4 PRO CA C 13 63.297 0.215 . 1 . . . . 4 PRO CA . 15592 1 26 . 1 1 4 4 PRO CB C 13 31.745 0.150 . 1 . . . . 4 PRO CB . 15592 1 27 . 1 1 4 4 PRO CD C 13 50.309 0.087 . 1 . . . . 4 PRO CD . 15592 1 28 . 1 1 4 4 PRO CG C 13 27.104 0.041 . 1 . . . . 4 PRO CG . 15592 1 29 . 1 1 5 5 GLU H H 1 8.560 0.010 . 1 . . . . 5 GLU H . 15592 1 30 . 1 1 5 5 GLU HA H 1 4.219 0.010 . 1 . . . . 5 GLU HA . 15592 1 31 . 1 1 5 5 GLU HB2 H 1 1.973 0.040 . 1 . . . . 5 GLU HB2 . 15592 1 32 . 1 1 5 5 GLU HG2 H 1 2.291 0.008 . 1 . . . . 5 GLU HG2 . 15592 1 33 . 1 1 5 5 GLU C C 13 175.967 0.034 . 1 . . . . 5 GLU C . 15592 1 34 . 1 1 5 5 GLU CA C 13 56.519 0.120 . 1 . . . . 5 GLU CA . 15592 1 35 . 1 1 5 5 GLU CB C 13 29.754 0.051 . 1 . . . . 5 GLU CB . 15592 1 36 . 1 1 5 5 GLU CG C 13 36.132 0.148 . 1 . . . . 5 GLU CG . 15592 1 37 . 1 1 5 5 GLU N N 15 120.085 0.094 . 1 . . . . 5 GLU N . 15592 1 38 . 1 1 6 6 ALA H H 1 8.147 0.011 . 1 . . . . 6 ALA H . 15592 1 39 . 1 1 6 6 ALA HA H 1 4.315 0.008 . 1 . . . . 6 ALA HA . 15592 1 40 . 1 1 6 6 ALA HB1 H 1 1.333 0.011 . 1 . . . . 6 ALA HB . 15592 1 41 . 1 1 6 6 ALA HB2 H 1 1.333 0.011 . 1 . . . . 6 ALA HB . 15592 1 42 . 1 1 6 6 ALA HB3 H 1 1.333 0.011 . 1 . . . . 6 ALA HB . 15592 1 43 . 1 1 6 6 ALA C C 13 176.456 0.031 . 1 . . . . 6 ALA C . 15592 1 44 . 1 1 6 6 ALA CA C 13 51.518 0.196 . 1 . . . . 6 ALA CA . 15592 1 45 . 1 1 6 6 ALA CB C 13 19.771 0.500 . 1 . . . . 6 ALA CB . 15592 1 46 . 1 1 6 6 ALA N N 15 124.343 0.168 . 1 . . . . 6 ALA N . 15592 1 47 . 1 1 7 7 ASP H H 1 8.302 0.010 . 1 . . . . 7 ASP H . 15592 1 48 . 1 1 7 7 ASP HA H 1 4.739 0.018 . 1 . . . . 7 ASP HA . 15592 1 49 . 1 1 7 7 ASP HB2 H 1 2.592 0.023 . 1 . . . . 7 ASP HB2 . 15592 1 50 . 1 1 7 7 ASP C C 13 175.588 0.000 . 1 . . . . 7 ASP C . 15592 1 51 . 1 1 7 7 ASP CA C 13 51.948 0.258 . 1 . . . . 7 ASP CA . 15592 1 52 . 1 1 7 7 ASP CB C 13 42.093 0.185 . 1 . . . . 7 ASP CB . 15592 1 53 . 1 1 7 7 ASP N N 15 123.019 0.090 . 1 . . . . 7 ASP N . 15592 1 54 . 1 1 8 8 PRO HA H 1 4.216 0.008 . 1 . . . . 8 PRO HA . 15592 1 55 . 1 1 8 8 PRO HB2 H 1 1.975 0.019 . 2 . . . . 8 PRO HB2 . 15592 1 56 . 1 1 8 8 PRO HB3 H 1 2.388 0.012 . 2 . . . . 8 PRO HB3 . 15592 1 57 . 1 1 8 8 PRO HD2 H 1 3.711 0.005 . 2 . . . . 8 PRO HD2 . 15592 1 58 . 1 1 8 8 PRO HD3 H 1 3.839 0.014 . 2 . . . . 8 PRO HD3 . 15592 1 59 . 1 1 8 8 PRO HG2 H 1 2.072 0.008 . 1 . . . . 8 PRO HG2 . 15592 1 60 . 1 1 8 8 PRO C C 13 178.721 0.015 . 1 . . . . 8 PRO C . 15592 1 61 . 1 1 8 8 PRO CA C 13 64.935 0.366 . 1 . . . . 8 PRO CA . 15592 1 62 . 1 1 8 8 PRO CB C 13 31.855 0.228 . 1 . . . . 8 PRO CB . 15592 1 63 . 1 1 8 8 PRO CD C 13 50.275 0.058 . 1 . . . . 8 PRO CD . 15592 1 64 . 1 1 8 8 PRO CG C 13 27.159 0.012 . 1 . . . . 8 PRO CG . 15592 1 65 . 1 1 9 9 ARG H H 1 8.749 0.010 . 1 . . . . 9 ARG H . 15592 1 66 . 1 1 9 9 ARG HA H 1 4.002 0.014 . 1 . . . . 9 ARG HA . 15592 1 67 . 1 1 9 9 ARG HB2 H 1 1.101 0.009 . 2 . . . . 9 ARG HB2 . 15592 1 68 . 1 1 9 9 ARG HB3 H 1 1.390 0.009 . 2 . . . . 9 ARG HB3 . 15592 1 69 . 1 1 9 9 ARG HD2 H 1 3.139 0.006 . 2 . . . . 9 ARG HD2 . 15592 1 70 . 1 1 9 9 ARG HD3 H 1 3.290 0.003 . 2 . . . . 9 ARG HD3 . 15592 1 71 . 1 1 9 9 ARG HE H 1 7.500 0.002 . 1 . . . . 9 ARG HE . 15592 1 72 . 1 1 9 9 ARG HG2 H 1 1.635 0.013 . 1 . . . . 9 ARG HG2 . 15592 1 73 . 1 1 9 9 ARG C C 13 179.679 0.022 . 1 . . . . 9 ARG C . 15592 1 74 . 1 1 9 9 ARG CA C 13 58.060 0.310 . 1 . . . . 9 ARG CA . 15592 1 75 . 1 1 9 9 ARG CB C 13 29.697 0.191 . 1 . . . . 9 ARG CB . 15592 1 76 . 1 1 9 9 ARG CD C 13 43.448 0.109 . 1 . . . . 9 ARG CD . 15592 1 77 . 1 1 9 9 ARG CG C 13 26.405 0.049 . 1 . . . . 9 ARG CG . 15592 1 78 . 1 1 9 9 ARG N N 15 117.151 0.153 . 1 . . . . 9 ARG N . 15592 1 79 . 1 1 9 9 ARG NE N 15 124.793 0.141 . 1 . . . . 9 ARG NE . 15592 1 80 . 1 1 10 10 LEU H H 1 7.240 0.013 . 1 . . . . 10 LEU H . 15592 1 81 . 1 1 10 10 LEU HA H 1 3.875 0.014 . 1 . . . . 10 LEU HA . 15592 1 82 . 1 1 10 10 LEU HB2 H 1 1.558 0.015 . 2 . . . . 10 LEU HB2 . 15592 1 83 . 1 1 10 10 LEU HB3 H 1 2.071 0.006 . 2 . . . . 10 LEU HB3 . 15592 1 84 . 1 1 10 10 LEU HD11 H 1 1.093 0.007 . 2 . . . . 10 LEU HD1 . 15592 1 85 . 1 1 10 10 LEU HD12 H 1 1.093 0.007 . 2 . . . . 10 LEU HD1 . 15592 1 86 . 1 1 10 10 LEU HD13 H 1 1.093 0.007 . 2 . . . . 10 LEU HD1 . 15592 1 87 . 1 1 10 10 LEU HD21 H 1 1.107 0.006 . 2 . . . . 10 LEU HD2 . 15592 1 88 . 1 1 10 10 LEU HD22 H 1 1.107 0.006 . 2 . . . . 10 LEU HD2 . 15592 1 89 . 1 1 10 10 LEU HD23 H 1 1.107 0.006 . 2 . . . . 10 LEU HD2 . 15592 1 90 . 1 1 10 10 LEU HG H 1 0.768 0.008 . 1 . . . . 10 LEU HG . 15592 1 91 . 1 1 10 10 LEU C C 13 176.907 0.042 . 1 . . . . 10 LEU C . 15592 1 92 . 1 1 10 10 LEU CA C 13 57.421 0.153 . 1 . . . . 10 LEU CA . 15592 1 93 . 1 1 10 10 LEU CB C 13 40.440 0.283 . 1 . . . . 10 LEU CB . 15592 1 94 . 1 1 10 10 LEU CD1 C 13 25.312 0.225 . 2 . . . . 10 LEU CD1 . 15592 1 95 . 1 1 10 10 LEU CD2 C 13 22.978 0.243 . 2 . . . . 10 LEU CD2 . 15592 1 96 . 1 1 10 10 LEU CG C 13 26.555 0.000 . 1 . . . . 10 LEU CG . 15592 1 97 . 1 1 10 10 LEU N N 15 121.323 0.144 . 1 . . . . 10 LEU N . 15592 1 98 . 1 1 11 11 ILE H H 1 7.405 0.013 . 1 . . . . 11 ILE H . 15592 1 99 . 1 1 11 11 ILE HA H 1 3.574 0.007 . 1 . . . . 11 ILE HA . 15592 1 100 . 1 1 11 11 ILE HB H 1 1.866 0.011 . 1 . . . . 11 ILE HB . 15592 1 101 . 1 1 11 11 ILE HD11 H 1 0.785 0.009 . 1 . . . . 11 ILE HD1 . 15592 1 102 . 1 1 11 11 ILE HD12 H 1 0.785 0.009 . 1 . . . . 11 ILE HD1 . 15592 1 103 . 1 1 11 11 ILE HD13 H 1 0.785 0.009 . 1 . . . . 11 ILE HD1 . 15592 1 104 . 1 1 11 11 ILE HG12 H 1 1.245 0.006 . 2 . . . . 11 ILE HG12 . 15592 1 105 . 1 1 11 11 ILE HG13 H 1 1.488 0.008 . 2 . . . . 11 ILE HG13 . 15592 1 106 . 1 1 11 11 ILE HG21 H 1 0.904 0.007 . 1 . . . . 11 ILE HG2 . 15592 1 107 . 1 1 11 11 ILE HG22 H 1 0.904 0.007 . 1 . . . . 11 ILE HG2 . 15592 1 108 . 1 1 11 11 ILE HG23 H 1 0.904 0.007 . 1 . . . . 11 ILE HG2 . 15592 1 109 . 1 1 11 11 ILE C C 13 179.095 0.029 . 1 . . . . 11 ILE C . 15592 1 110 . 1 1 11 11 ILE CA C 13 63.935 0.113 . 1 . . . . 11 ILE CA . 15592 1 111 . 1 1 11 11 ILE CB C 13 37.093 0.174 . 1 . . . . 11 ILE CB . 15592 1 112 . 1 1 11 11 ILE CD1 C 13 11.599 0.136 . 1 . . . . 11 ILE CD1 . 15592 1 113 . 1 1 11 11 ILE CG1 C 13 27.838 0.129 . 1 . . . . 11 ILE CG1 . 15592 1 114 . 1 1 11 11 ILE CG2 C 13 16.630 0.239 . 1 . . . . 11 ILE CG2 . 15592 1 115 . 1 1 11 11 ILE N N 15 117.083 0.195 . 1 . . . . 11 ILE N . 15592 1 116 . 1 1 12 12 GLU H H 1 7.861 0.007 . 1 . . . . 12 GLU H . 15592 1 117 . 1 1 12 12 GLU HA H 1 4.094 0.011 . 1 . . . . 12 GLU HA . 15592 1 118 . 1 1 12 12 GLU HB2 H 1 2.007 0.003 . 2 . . . . 12 GLU HB2 . 15592 1 119 . 1 1 12 12 GLU HB3 H 1 2.072 0.016 . 2 . . . . 12 GLU HB3 . 15592 1 120 . 1 1 12 12 GLU HG2 H 1 2.219 0.014 . 2 . . . . 12 GLU HG2 . 15592 1 121 . 1 1 12 12 GLU HG3 H 1 2.275 0.020 . 2 . . . . 12 GLU HG3 . 15592 1 122 . 1 1 12 12 GLU C C 13 178.343 0.052 . 1 . . . . 12 GLU C . 15592 1 123 . 1 1 12 12 GLU CA C 13 59.555 0.187 . 1 . . . . 12 GLU CA . 15592 1 124 . 1 1 12 12 GLU CB C 13 29.925 0.076 . 1 . . . . 12 GLU CB . 15592 1 125 . 1 1 12 12 GLU CG C 13 35.544 0.013 . 1 . . . . 12 GLU CG . 15592 1 126 . 1 1 12 12 GLU N N 15 119.217 0.068 . 1 . . . . 12 GLU N . 15592 1 127 . 1 1 13 13 SER H H 1 7.883 0.005 . 1 . . . . 13 SER H . 15592 1 128 . 1 1 13 13 SER HA H 1 4.335 0.009 . 1 . . . . 13 SER HA . 15592 1 129 . 1 1 13 13 SER HB2 H 1 3.841 0.014 . 1 . . . . 13 SER HB2 . 15592 1 130 . 1 1 13 13 SER C C 13 176.446 0.000 . 1 . . . . 13 SER C . 15592 1 131 . 1 1 13 13 SER CA C 13 61.969 0.155 . 1 . . . . 13 SER CA . 15592 1 132 . 1 1 13 13 SER CB C 13 63.484 0.114 . 1 . . . . 13 SER CB . 15592 1 133 . 1 1 13 13 SER N N 15 115.630 0.168 . 1 . . . . 13 SER N . 15592 1 134 . 1 1 14 14 LEU H H 1 8.937 0.010 . 1 . . . . 14 LEU H . 15592 1 135 . 1 1 14 14 LEU HA H 1 3.767 0.014 . 1 . . . . 14 LEU HA . 15592 1 136 . 1 1 14 14 LEU HB2 H 1 1.428 0.007 . 2 . . . . 14 LEU HB2 . 15592 1 137 . 1 1 14 14 LEU HB3 H 1 1.728 0.015 . 2 . . . . 14 LEU HB3 . 15592 1 138 . 1 1 14 14 LEU HD11 H 1 0.635 0.010 . 2 . . . . 14 LEU HD1 . 15592 1 139 . 1 1 14 14 LEU HD12 H 1 0.635 0.010 . 2 . . . . 14 LEU HD1 . 15592 1 140 . 1 1 14 14 LEU HD13 H 1 0.635 0.010 . 2 . . . . 14 LEU HD1 . 15592 1 141 . 1 1 14 14 LEU HD21 H 1 0.750 0.017 . 2 . . . . 14 LEU HD2 . 15592 1 142 . 1 1 14 14 LEU HD22 H 1 0.750 0.017 . 2 . . . . 14 LEU HD2 . 15592 1 143 . 1 1 14 14 LEU HD23 H 1 0.750 0.017 . 2 . . . . 14 LEU HD2 . 15592 1 144 . 1 1 14 14 LEU HG H 1 1.436 0.006 . 1 . . . . 14 LEU HG . 15592 1 145 . 1 1 14 14 LEU C C 13 178.649 0.000 . 1 . . . . 14 LEU C . 15592 1 146 . 1 1 14 14 LEU CA C 13 58.005 0.376 . 1 . . . . 14 LEU CA . 15592 1 147 . 1 1 14 14 LEU CB C 13 42.370 0.234 . 1 . . . . 14 LEU CB . 15592 1 148 . 1 1 14 14 LEU CD1 C 13 23.327 0.161 . 2 . . . . 14 LEU CD1 . 15592 1 149 . 1 1 14 14 LEU CD2 C 13 23.837 0.087 . 2 . . . . 14 LEU CD2 . 15592 1 150 . 1 1 14 14 LEU CG C 13 26.611 0.023 . 1 . . . . 14 LEU CG . 15592 1 151 . 1 1 14 14 LEU N N 15 124.219 0.099 . 1 . . . . 14 LEU N . 15592 1 152 . 1 1 15 15 SER H H 1 7.986 0.005 . 1 . . . . 15 SER H . 15592 1 153 . 1 1 15 15 SER HA H 1 4.076 0.007 . 1 . . . . 15 SER HA . 15592 1 154 . 1 1 15 15 SER HB2 H 1 4.034 0.007 . 1 . . . . 15 SER HB2 . 15592 1 155 . 1 1 15 15 SER C C 13 177.978 0.000 . 1 . . . . 15 SER C . 15592 1 156 . 1 1 15 15 SER CA C 13 61.733 0.000 . 1 . . . . 15 SER CA . 15592 1 157 . 1 1 15 15 SER CB C 13 62.549 0.000 . 1 . . . . 15 SER CB . 15592 1 158 . 1 1 15 15 SER N N 15 113.092 0.099 . 1 . . . . 15 SER N . 15592 1 159 . 1 1 16 16 GLN H H 1 7.950 0.012 . 1 . . . . 16 GLN H . 15592 1 160 . 1 1 16 16 GLN HA H 1 4.107 0.010 . 1 . . . . 16 GLN HA . 15592 1 161 . 1 1 16 16 GLN HB2 H 1 1.855 0.010 . 1 . . . . 16 GLN HB2 . 15592 1 162 . 1 1 16 16 GLN HE21 H 1 6.600 0.007 . 2 . . . . 16 GLN HE21 . 15592 1 163 . 1 1 16 16 GLN HE22 H 1 7.300 0.003 . 2 . . . . 16 GLN HE22 . 15592 1 164 . 1 1 16 16 GLN HG2 H 1 2.451 0.012 . 2 . . . . 16 GLN HG2 . 15592 1 165 . 1 1 16 16 GLN HG3 H 1 2.616 0.016 . 2 . . . . 16 GLN HG3 . 15592 1 166 . 1 1 16 16 GLN C C 13 179.396 0.012 . 1 . . . . 16 GLN C . 15592 1 167 . 1 1 16 16 GLN CA C 13 59.015 0.120 . 1 . . . . 16 GLN CA . 15592 1 168 . 1 1 16 16 GLN CB C 13 27.828 0.055 . 1 . . . . 16 GLN CB . 15592 1 169 . 1 1 16 16 GLN CG C 13 33.834 0.216 . 1 . . . . 16 GLN CG . 15592 1 170 . 1 1 16 16 GLN N N 15 120.855 0.092 . 1 . . . . 16 GLN N . 15592 1 171 . 1 1 16 16 GLN NE2 N 15 109.196 0.112 . 1 . . . . 16 GLN NE2 . 15592 1 172 . 1 1 17 17 MET H H 1 8.154 0.009 . 1 . . . . 17 MET H . 15592 1 173 . 1 1 17 17 MET HA H 1 4.307 0.006 . 1 . . . . 17 MET HA . 15592 1 174 . 1 1 17 17 MET HB2 H 1 2.063 0.016 . 1 . . . . 17 MET HB2 . 15592 1 175 . 1 1 17 17 MET HE1 H 1 1.075 0.006 . 1 . . . . 17 MET HE . 15592 1 176 . 1 1 17 17 MET HE2 H 1 1.075 0.006 . 1 . . . . 17 MET HE . 15592 1 177 . 1 1 17 17 MET HE3 H 1 1.075 0.006 . 1 . . . . 17 MET HE . 15592 1 178 . 1 1 17 17 MET HG2 H 1 2.246 0.008 . 2 . . . . 17 MET HG2 . 15592 1 179 . 1 1 17 17 MET HG3 H 1 2.676 0.006 . 2 . . . . 17 MET HG3 . 15592 1 180 . 1 1 17 17 MET C C 13 179.342 0.000 . 1 . . . . 17 MET C . 15592 1 181 . 1 1 17 17 MET CA C 13 59.714 0.216 . 1 . . . . 17 MET CA . 15592 1 182 . 1 1 17 17 MET CB C 13 31.821 0.108 . 1 . . . . 17 MET CB . 15592 1 183 . 1 1 17 17 MET CE C 13 16.331 0.038 . 1 . . . . 17 MET CE . 15592 1 184 . 1 1 17 17 MET CG C 13 34.021 0.172 . 1 . . . . 17 MET CG . 15592 1 185 . 1 1 17 17 MET N N 15 118.142 0.118 . 1 . . . . 17 MET N . 15592 1 186 . 1 1 18 18 LEU H H 1 9.103 0.012 . 1 . . . . 18 LEU H . 15592 1 187 . 1 1 18 18 LEU HA H 1 4.485 0.011 . 1 . . . . 18 LEU HA . 15592 1 188 . 1 1 18 18 LEU HB2 H 1 1.577 0.007 . 2 . . . . 18 LEU HB2 . 15592 1 189 . 1 1 18 18 LEU HB3 H 1 1.851 0.005 . 2 . . . . 18 LEU HB3 . 15592 1 190 . 1 1 18 18 LEU HD11 H 1 0.787 0.013 . 2 . . . . 18 LEU HD1 . 15592 1 191 . 1 1 18 18 LEU HD12 H 1 0.787 0.013 . 2 . . . . 18 LEU HD1 . 15592 1 192 . 1 1 18 18 LEU HD13 H 1 0.787 0.013 . 2 . . . . 18 LEU HD1 . 15592 1 193 . 1 1 18 18 LEU HD21 H 1 0.799 0.006 . 2 . . . . 18 LEU HD2 . 15592 1 194 . 1 1 18 18 LEU HD22 H 1 0.799 0.006 . 2 . . . . 18 LEU HD2 . 15592 1 195 . 1 1 18 18 LEU HD23 H 1 0.799 0.006 . 2 . . . . 18 LEU HD2 . 15592 1 196 . 1 1 18 18 LEU HG H 1 1.853 0.008 . 1 . . . . 18 LEU HG . 15592 1 197 . 1 1 18 18 LEU C C 13 182.237 0.030 . 1 . . . . 18 LEU C . 15592 1 198 . 1 1 18 18 LEU CA C 13 57.769 0.307 . 1 . . . . 18 LEU CA . 15592 1 199 . 1 1 18 18 LEU CB C 13 40.405 0.327 . 1 . . . . 18 LEU CB . 15592 1 200 . 1 1 18 18 LEU CD1 C 13 23.039 0.180 . 2 . . . . 18 LEU CD1 . 15592 1 201 . 1 1 18 18 LEU CD2 C 13 24.742 0.128 . 2 . . . . 18 LEU CD2 . 15592 1 202 . 1 1 18 18 LEU CG C 13 27.291 0.235 . 1 . . . . 18 LEU CG . 15592 1 203 . 1 1 18 18 LEU N N 15 122.650 0.120 . 1 . . . . 18 LEU N . 15592 1 204 . 1 1 19 19 SER H H 1 7.977 0.010 . 1 . . . . 19 SER H . 15592 1 205 . 1 1 19 19 SER HA H 1 4.303 0.009 . 1 . . . . 19 SER HA . 15592 1 206 . 1 1 19 19 SER HB2 H 1 4.062 0.021 . 1 . . . . 19 SER HB2 . 15592 1 207 . 1 1 19 19 SER C C 13 174.984 0.000 . 1 . . . . 19 SER C . 15592 1 208 . 1 1 19 19 SER CA C 13 61.463 0.058 . 1 . . . . 19 SER CA . 15592 1 209 . 1 1 19 19 SER CB C 13 62.723 0.181 . 1 . . . . 19 SER CB . 15592 1 210 . 1 1 19 19 SER N N 15 117.017 0.179 . 1 . . . . 19 SER N . 15592 1 211 . 1 1 20 20 MET H H 1 7.248 0.018 . 1 . . . . 20 MET H . 15592 1 212 . 1 1 20 20 MET HA H 1 3.682 0.003 . 1 . . . . 20 MET HA . 15592 1 213 . 1 1 20 20 MET HB2 H 1 1.980 0.006 . 2 . . . . 20 MET HB2 . 15592 1 214 . 1 1 20 20 MET HB3 H 1 2.300 0.016 . 2 . . . . 20 MET HB3 . 15592 1 215 . 1 1 20 20 MET HE1 H 1 1.957 0.004 . 1 . . . . 20 MET HE . 15592 1 216 . 1 1 20 20 MET HE2 H 1 1.957 0.004 . 1 . . . . 20 MET HE . 15592 1 217 . 1 1 20 20 MET HE3 H 1 1.957 0.004 . 1 . . . . 20 MET HE . 15592 1 218 . 1 1 20 20 MET HG2 H 1 1.661 0.006 . 2 . . . . 20 MET HG2 . 15592 1 219 . 1 1 20 20 MET HG3 H 1 2.602 0.015 . 2 . . . . 20 MET HG3 . 15592 1 220 . 1 1 20 20 MET C C 13 175.135 0.040 . 1 . . . . 20 MET C . 15592 1 221 . 1 1 20 20 MET CA C 13 56.116 0.136 . 1 . . . . 20 MET CA . 15592 1 222 . 1 1 20 20 MET CB C 13 33.349 0.019 . 1 . . . . 20 MET CB . 15592 1 223 . 1 1 20 20 MET CE C 13 18.047 0.303 . 1 . . . . 20 MET CE . 15592 1 224 . 1 1 20 20 MET CG C 13 31.582 0.268 . 1 . . . . 20 MET CG . 15592 1 225 . 1 1 20 20 MET N N 15 118.004 0.136 . 1 . . . . 20 MET N . 15592 1 226 . 1 1 21 21 GLY H H 1 7.665 0.006 . 1 . . . . 21 GLY H . 15592 1 227 . 1 1 21 21 GLY HA2 H 1 3.616 0.000 . 2 . . . . 21 GLY HA2 . 15592 1 228 . 1 1 21 21 GLY HA3 H 1 3.649 0.002 . 2 . . . . 21 GLY HA3 . 15592 1 229 . 1 1 21 21 GLY C C 13 174.935 0.041 . 1 . . . . 21 GLY C . 15592 1 230 . 1 1 21 21 GLY CA C 13 45.080 0.033 . 1 . . . . 21 GLY CA . 15592 1 231 . 1 1 21 21 GLY N N 15 103.618 0.128 . 1 . . . . 21 GLY N . 15592 1 232 . 1 1 22 22 PHE H H 1 7.411 0.008 . 1 . . . . 22 PHE H . 15592 1 233 . 1 1 22 22 PHE HA H 1 4.585 0.009 . 1 . . . . 22 PHE HA . 15592 1 234 . 1 1 22 22 PHE HB2 H 1 2.511 0.008 . 2 . . . . 22 PHE HB2 . 15592 1 235 . 1 1 22 22 PHE HB3 H 1 3.218 0.012 . 2 . . . . 22 PHE HB3 . 15592 1 236 . 1 1 22 22 PHE HD1 H 1 7.674 0.005 . 1 . . . . 22 PHE HD . 15592 1 237 . 1 1 22 22 PHE HD2 H 1 7.674 0.005 . 1 . . . . 22 PHE HD . 15592 1 238 . 1 1 22 22 PHE HE1 H 1 7.291 0.005 . 1 . . . . 22 PHE HE . 15592 1 239 . 1 1 22 22 PHE HE2 H 1 7.291 0.005 . 1 . . . . 22 PHE HE . 15592 1 240 . 1 1 22 22 PHE HZ H 1 6.885 0.007 . 1 . . . . 22 PHE HZ . 15592 1 241 . 1 1 22 22 PHE C C 13 173.072 0.035 . 1 . . . . 22 PHE C . 15592 1 242 . 1 1 22 22 PHE CA C 13 59.168 0.166 . 1 . . . . 22 PHE CA . 15592 1 243 . 1 1 22 22 PHE CB C 13 39.718 0.475 . 1 . . . . 22 PHE CB . 15592 1 244 . 1 1 22 22 PHE CD1 C 13 131.859 0.334 . 1 . . . . 22 PHE CD . 15592 1 245 . 1 1 22 22 PHE CD2 C 13 131.859 0.334 . 1 . . . . 22 PHE CD . 15592 1 246 . 1 1 22 22 PHE CE1 C 13 131.972 0.241 . 1 . . . . 22 PHE CE . 15592 1 247 . 1 1 22 22 PHE CE2 C 13 131.972 0.241 . 1 . . . . 22 PHE CE . 15592 1 248 . 1 1 22 22 PHE CZ C 13 129.008 0.292 . 1 . . . . 22 PHE CZ . 15592 1 249 . 1 1 22 22 PHE N N 15 118.245 0.163 . 1 . . . . 22 PHE N . 15592 1 250 . 1 1 23 23 SER H H 1 8.725 0.008 . 1 . . . . 23 SER H . 15592 1 251 . 1 1 23 23 SER HA H 1 4.671 0.007 . 1 . . . . 23 SER HA . 15592 1 252 . 1 1 23 23 SER HB2 H 1 3.940 0.015 . 2 . . . . 23 SER HB2 . 15592 1 253 . 1 1 23 23 SER HB3 H 1 4.115 0.009 . 2 . . . . 23 SER HB3 . 15592 1 254 . 1 1 23 23 SER C C 13 171.971 0.039 . 1 . . . . 23 SER C . 15592 1 255 . 1 1 23 23 SER CA C 13 56.839 0.125 . 1 . . . . 23 SER CA . 15592 1 256 . 1 1 23 23 SER CB C 13 65.509 0.159 . 1 . . . . 23 SER CB . 15592 1 257 . 1 1 23 23 SER N N 15 114.241 0.112 . 1 . . . . 23 SER N . 15592 1 258 . 1 1 24 24 ASP H H 1 8.604 0.014 . 1 . . . . 24 ASP H . 15592 1 259 . 1 1 24 24 ASP HA H 1 4.987 0.014 . 1 . . . . 24 ASP HA . 15592 1 260 . 1 1 24 24 ASP HB2 H 1 1.943 0.009 . 2 . . . . 24 ASP HB2 . 15592 1 261 . 1 1 24 24 ASP HB3 H 1 2.666 0.010 . 2 . . . . 24 ASP HB3 . 15592 1 262 . 1 1 24 24 ASP C C 13 177.661 0.013 . 1 . . . . 24 ASP C . 15592 1 263 . 1 1 24 24 ASP CA C 13 52.317 0.201 . 1 . . . . 24 ASP CA . 15592 1 264 . 1 1 24 24 ASP CB C 13 41.933 0.248 . 1 . . . . 24 ASP CB . 15592 1 265 . 1 1 24 24 ASP N N 15 119.298 0.149 . 1 . . . . 24 ASP N . 15592 1 266 . 1 1 25 25 GLU H H 1 8.951 0.011 . 1 . . . . 25 GLU H . 15592 1 267 . 1 1 25 25 GLU HA H 1 4.272 0.009 . 1 . . . . 25 GLU HA . 15592 1 268 . 1 1 25 25 GLU HB2 H 1 2.178 0.007 . 1 . . . . 25 GLU HB2 . 15592 1 269 . 1 1 25 25 GLU HG2 H 1 2.440 0.011 . 2 . . . . 25 GLU HG2 . 15592 1 270 . 1 1 25 25 GLU HG3 H 1 2.488 0.015 . 2 . . . . 25 GLU HG3 . 15592 1 271 . 1 1 25 25 GLU C C 13 179.579 0.027 . 1 . . . . 25 GLU C . 15592 1 272 . 1 1 25 25 GLU CA C 13 58.673 0.281 . 1 . . . . 25 GLU CA . 15592 1 273 . 1 1 25 25 GLU CB C 13 28.853 0.392 . 1 . . . . 25 GLU CB . 15592 1 274 . 1 1 25 25 GLU CG C 13 35.678 0.048 . 1 . . . . 25 GLU CG . 15592 1 275 . 1 1 25 25 GLU N N 15 124.061 0.133 . 1 . . . . 25 GLU N . 15592 1 276 . 1 1 26 26 GLY H H 1 9.327 0.006 . 1 . . . . 26 GLY H . 15592 1 277 . 1 1 26 26 GLY HA2 H 1 3.978 0.004 . 2 . . . . 26 GLY HA2 . 15592 1 278 . 1 1 26 26 GLY HA3 H 1 4.235 0.006 . 2 . . . . 26 GLY HA3 . 15592 1 279 . 1 1 26 26 GLY C C 13 175.244 0.000 . 1 . . . . 26 GLY C . 15592 1 280 . 1 1 26 26 GLY CA C 13 46.038 0.074 . 1 . . . . 26 GLY CA . 15592 1 281 . 1 1 26 26 GLY N N 15 116.154 0.094 . 1 . . . . 26 GLY N . 15592 1 282 . 1 1 27 27 GLY H H 1 8.453 0.008 . 1 . . . . 27 GLY H . 15592 1 283 . 1 1 27 27 GLY HA2 H 1 4.070 0.010 . 2 . . . . 27 GLY HA2 . 15592 1 284 . 1 1 27 27 GLY HA3 H 1 4.142 0.012 . 2 . . . . 27 GLY HA3 . 15592 1 285 . 1 1 27 27 GLY C C 13 176.144 0.031 . 1 . . . . 27 GLY C . 15592 1 286 . 1 1 27 27 GLY CA C 13 46.241 0.147 . 1 . . . . 27 GLY CA . 15592 1 287 . 1 1 27 27 GLY N N 15 108.403 0.176 . 1 . . . . 27 GLY N . 15592 1 288 . 1 1 28 28 TRP H H 1 7.113 0.013 . 1 . . . . 28 TRP H . 15592 1 289 . 1 1 28 28 TRP HA H 1 4.191 0.013 . 1 . . . . 28 TRP HA . 15592 1 290 . 1 1 28 28 TRP HB2 H 1 3.275 0.010 . 2 . . . . 28 TRP HB2 . 15592 1 291 . 1 1 28 28 TRP HB3 H 1 3.600 0.009 . 2 . . . . 28 TRP HB3 . 15592 1 292 . 1 1 28 28 TRP HD1 H 1 8.207 0.006 . 1 . . . . 28 TRP HD1 . 15592 1 293 . 1 1 28 28 TRP HE1 H 1 10.178 0.005 . 1 . . . . 28 TRP HE1 . 15592 1 294 . 1 1 28 28 TRP HE3 H 1 7.425 0.005 . 1 . . . . 28 TRP HE3 . 15592 1 295 . 1 1 28 28 TRP HH2 H 1 7.062 0.009 . 1 . . . . 28 TRP HH2 . 15592 1 296 . 1 1 28 28 TRP HZ2 H 1 7.899 0.010 . 1 . . . . 28 TRP HZ2 . 15592 1 297 . 1 1 28 28 TRP HZ3 H 1 6.917 0.014 . 1 . . . . 28 TRP HZ3 . 15592 1 298 . 1 1 28 28 TRP C C 13 176.546 0.046 . 1 . . . . 28 TRP C . 15592 1 299 . 1 1 28 28 TRP CA C 13 59.964 0.369 . 1 . . . . 28 TRP CA . 15592 1 300 . 1 1 28 28 TRP CB C 13 27.574 0.192 . 1 . . . . 28 TRP CB . 15592 1 301 . 1 1 28 28 TRP CD1 C 13 127.447 0.136 . 1 . . . . 28 TRP CD1 . 15592 1 302 . 1 1 28 28 TRP CE3 C 13 120.393 0.246 . 1 . . . . 28 TRP CE3 . 15592 1 303 . 1 1 28 28 TRP CH2 C 13 123.011 0.310 . 1 . . . . 28 TRP CH2 . 15592 1 304 . 1 1 28 28 TRP CZ2 C 13 115.933 0.255 . 1 . . . . 28 TRP CZ2 . 15592 1 305 . 1 1 28 28 TRP CZ3 C 13 119.201 0.000 . 1 . . . . 28 TRP CZ3 . 15592 1 306 . 1 1 28 28 TRP N N 15 118.507 0.102 . 1 . . . . 28 TRP N . 15592 1 307 . 1 1 28 28 TRP NE1 N 15 132.005 0.124 . 1 . . . . 28 TRP NE1 . 15592 1 308 . 1 1 29 29 LEU H H 1 7.671 0.013 . 1 . . . . 29 LEU H . 15592 1 309 . 1 1 29 29 LEU HA H 1 3.334 0.010 . 1 . . . . 29 LEU HA . 15592 1 310 . 1 1 29 29 LEU HB2 H 1 -0.049 0.018 . 2 . . . . 29 LEU HB2 . 15592 1 311 . 1 1 29 29 LEU HB3 H 1 1.132 0.012 . 2 . . . . 29 LEU HB3 . 15592 1 312 . 1 1 29 29 LEU HD11 H 1 0.353 0.009 . 2 . . . . 29 LEU HD1 . 15592 1 313 . 1 1 29 29 LEU HD12 H 1 0.353 0.009 . 2 . . . . 29 LEU HD1 . 15592 1 314 . 1 1 29 29 LEU HD13 H 1 0.353 0.009 . 2 . . . . 29 LEU HD1 . 15592 1 315 . 1 1 29 29 LEU HD21 H 1 0.369 0.006 . 2 . . . . 29 LEU HD2 . 15592 1 316 . 1 1 29 29 LEU HD22 H 1 0.369 0.006 . 2 . . . . 29 LEU HD2 . 15592 1 317 . 1 1 29 29 LEU HD23 H 1 0.369 0.006 . 2 . . . . 29 LEU HD2 . 15592 1 318 . 1 1 29 29 LEU HG H 1 0.960 0.015 . 1 . . . . 29 LEU HG . 15592 1 319 . 1 1 29 29 LEU C C 13 178.375 0.000 . 1 . . . . 29 LEU C . 15592 1 320 . 1 1 29 29 LEU CA C 13 56.638 0.225 . 1 . . . . 29 LEU CA . 15592 1 321 . 1 1 29 29 LEU CB C 13 40.420 0.252 . 1 . . . . 29 LEU CB . 15592 1 322 . 1 1 29 29 LEU CD1 C 13 22.595 0.367 . 2 . . . . 29 LEU CD1 . 15592 1 323 . 1 1 29 29 LEU CD2 C 13 25.230 0.222 . 2 . . . . 29 LEU CD2 . 15592 1 324 . 1 1 29 29 LEU CG C 13 25.987 0.327 . 1 . . . . 29 LEU CG . 15592 1 325 . 1 1 29 29 LEU N N 15 128.905 0.189 . 1 . . . . 29 LEU N . 15592 1 326 . 1 1 30 30 THR H H 1 8.824 0.011 . 1 . . . . 30 THR H . 15592 1 327 . 1 1 30 30 THR HA H 1 3.513 0.006 . 1 . . . . 30 THR HA . 15592 1 328 . 1 1 30 30 THR HB H 1 4.177 0.007 . 1 . . . . 30 THR HB . 15592 1 329 . 1 1 30 30 THR HG21 H 1 1.108 0.009 . 1 . . . . 30 THR HG2 . 15592 1 330 . 1 1 30 30 THR HG22 H 1 1.108 0.009 . 1 . . . . 30 THR HG2 . 15592 1 331 . 1 1 30 30 THR HG23 H 1 1.108 0.009 . 1 . . . . 30 THR HG2 . 15592 1 332 . 1 1 30 30 THR C C 13 176.236 0.000 . 1 . . . . 30 THR C . 15592 1 333 . 1 1 30 30 THR CA C 13 68.798 0.118 . 1 . . . . 30 THR CA . 15592 1 334 . 1 1 30 30 THR CB C 13 67.791 0.124 . 1 . . . . 30 THR CB . 15592 1 335 . 1 1 30 30 THR CG2 C 13 21.096 0.157 . 1 . . . . 30 THR CG2 . 15592 1 336 . 1 1 30 30 THR N N 15 121.253 0.127 . 1 . . . . 30 THR N . 15592 1 337 . 1 1 31 31 ARG H H 1 7.907 0.007 . 1 . . . . 31 ARG H . 15592 1 338 . 1 1 31 31 ARG HA H 1 4.145 0.008 . 1 . . . . 31 ARG HA . 15592 1 339 . 1 1 31 31 ARG HB2 H 1 1.832 0.005 . 2 . . . . 31 ARG HB2 . 15592 1 340 . 1 1 31 31 ARG HB3 H 1 1.921 0.013 . 2 . . . . 31 ARG HB3 . 15592 1 341 . 1 1 31 31 ARG HD2 H 1 3.216 0.006 . 2 . . . . 31 ARG HD2 . 15592 1 342 . 1 1 31 31 ARG HD3 H 1 3.381 0.017 . 2 . . . . 31 ARG HD3 . 15592 1 343 . 1 1 31 31 ARG HG2 H 1 1.567 0.027 . 1 . . . . 31 ARG HG2 . 15592 1 344 . 1 1 31 31 ARG C C 13 179.124 0.010 . 1 . . . . 31 ARG C . 15592 1 345 . 1 1 31 31 ARG CA C 13 59.395 0.132 . 1 . . . . 31 ARG CA . 15592 1 346 . 1 1 31 31 ARG CB C 13 29.645 0.025 . 1 . . . . 31 ARG CB . 15592 1 347 . 1 1 31 31 ARG CD C 13 43.201 0.131 . 1 . . . . 31 ARG CD . 15592 1 348 . 1 1 31 31 ARG CG C 13 26.937 0.000 . 1 . . . . 31 ARG CG . 15592 1 349 . 1 1 31 31 ARG N N 15 117.247 0.133 . 1 . . . . 31 ARG N . 15592 1 350 . 1 1 32 32 LEU H H 1 7.884 0.008 . 1 . . . . 32 LEU H . 15592 1 351 . 1 1 32 32 LEU HA H 1 4.138 0.007 . 1 . . . . 32 LEU HA . 15592 1 352 . 1 1 32 32 LEU HB2 H 1 1.660 0.012 . 2 . . . . 32 LEU HB2 . 15592 1 353 . 1 1 32 32 LEU HB3 H 1 1.838 0.010 . 2 . . . . 32 LEU HB3 . 15592 1 354 . 1 1 32 32 LEU HD11 H 1 0.980 0.012 . 2 . . . . 32 LEU HD1 . 15592 1 355 . 1 1 32 32 LEU HD12 H 1 0.980 0.012 . 2 . . . . 32 LEU HD1 . 15592 1 356 . 1 1 32 32 LEU HD13 H 1 0.980 0.012 . 2 . . . . 32 LEU HD1 . 15592 1 357 . 1 1 32 32 LEU HD21 H 1 0.991 0.010 . 2 . . . . 32 LEU HD2 . 15592 1 358 . 1 1 32 32 LEU HD22 H 1 0.991 0.010 . 2 . . . . 32 LEU HD2 . 15592 1 359 . 1 1 32 32 LEU HD23 H 1 0.991 0.010 . 2 . . . . 32 LEU HD2 . 15592 1 360 . 1 1 32 32 LEU HG H 1 1.248 0.012 . 1 . . . . 32 LEU HG . 15592 1 361 . 1 1 32 32 LEU C C 13 179.111 0.027 . 1 . . . . 32 LEU C . 15592 1 362 . 1 1 32 32 LEU CA C 13 58.069 0.290 . 1 . . . . 32 LEU CA . 15592 1 363 . 1 1 32 32 LEU CB C 13 41.495 0.238 . 1 . . . . 32 LEU CB . 15592 1 364 . 1 1 32 32 LEU CD1 C 13 23.240 0.140 . 2 . . . . 32 LEU CD1 . 15592 1 365 . 1 1 32 32 LEU CD2 C 13 24.974 0.360 . 2 . . . . 32 LEU CD2 . 15592 1 366 . 1 1 32 32 LEU CG C 13 27.027 0.088 . 1 . . . . 32 LEU CG . 15592 1 367 . 1 1 32 32 LEU N N 15 121.930 0.142 . 1 . . . . 32 LEU N . 15592 1 368 . 1 1 33 33 LEU H H 1 8.727 0.009 . 1 . . . . 33 LEU H . 15592 1 369 . 1 1 33 33 LEU HA H 1 3.529 0.010 . 1 . . . . 33 LEU HA . 15592 1 370 . 1 1 33 33 LEU HB2 H 1 1.057 0.008 . 2 . . . . 33 LEU HB2 . 15592 1 371 . 1 1 33 33 LEU HB3 H 1 1.979 0.017 . 2 . . . . 33 LEU HB3 . 15592 1 372 . 1 1 33 33 LEU HD11 H 1 0.568 0.012 . 2 . . . . 33 LEU HD1 . 15592 1 373 . 1 1 33 33 LEU HD12 H 1 0.568 0.012 . 2 . . . . 33 LEU HD1 . 15592 1 374 . 1 1 33 33 LEU HD13 H 1 0.568 0.012 . 2 . . . . 33 LEU HD1 . 15592 1 375 . 1 1 33 33 LEU HD21 H 1 0.643 0.013 . 2 . . . . 33 LEU HD2 . 15592 1 376 . 1 1 33 33 LEU HD22 H 1 0.643 0.013 . 2 . . . . 33 LEU HD2 . 15592 1 377 . 1 1 33 33 LEU HD23 H 1 0.643 0.013 . 2 . . . . 33 LEU HD2 . 15592 1 378 . 1 1 33 33 LEU HG H 1 1.410 0.010 . 1 . . . . 33 LEU HG . 15592 1 379 . 1 1 33 33 LEU C C 13 179.444 0.000 . 1 . . . . 33 LEU C . 15592 1 380 . 1 1 33 33 LEU CA C 13 58.603 0.265 . 1 . . . . 33 LEU CA . 15592 1 381 . 1 1 33 33 LEU CB C 13 41.774 0.139 . 1 . . . . 33 LEU CB . 15592 1 382 . 1 1 33 33 LEU CD1 C 13 22.172 0.371 . 2 . . . . 33 LEU CD1 . 15592 1 383 . 1 1 33 33 LEU CD2 C 13 24.684 0.236 . 2 . . . . 33 LEU CD2 . 15592 1 384 . 1 1 33 33 LEU CG C 13 27.407 0.096 . 1 . . . . 33 LEU CG . 15592 1 385 . 1 1 33 33 LEU N N 15 118.565 0.051 . 1 . . . . 33 LEU N . 15592 1 386 . 1 1 34 34 GLN H H 1 8.106 0.006 . 1 . . . . 34 GLN H . 15592 1 387 . 1 1 34 34 GLN HA H 1 3.550 0.006 . 1 . . . . 34 GLN HA . 15592 1 388 . 1 1 34 34 GLN HB2 H 1 2.051 0.009 . 2 . . . . 34 GLN HB2 . 15592 1 389 . 1 1 34 34 GLN HB3 H 1 2.395 0.005 . 2 . . . . 34 GLN HB3 . 15592 1 390 . 1 1 34 34 GLN HE21 H 1 6.827 0.009 . 2 . . . . 34 GLN HE21 . 15592 1 391 . 1 1 34 34 GLN HE22 H 1 7.329 0.011 . 2 . . . . 34 GLN HE22 . 15592 1 392 . 1 1 34 34 GLN HG2 H 1 2.529 0.009 . 2 . . . . 34 GLN HG2 . 15592 1 393 . 1 1 34 34 GLN HG3 H 1 2.739 0.005 . 2 . . . . 34 GLN HG3 . 15592 1 394 . 1 1 34 34 GLN C C 13 179.651 0.024 . 1 . . . . 34 GLN C . 15592 1 395 . 1 1 34 34 GLN CA C 13 59.363 0.224 . 1 . . . . 34 GLN CA . 15592 1 396 . 1 1 34 34 GLN CB C 13 28.230 0.394 . 1 . . . . 34 GLN CB . 15592 1 397 . 1 1 34 34 GLN CG C 13 34.374 0.142 . 1 . . . . 34 GLN CG . 15592 1 398 . 1 1 34 34 GLN N N 15 117.861 0.082 . 1 . . . . 34 GLN N . 15592 1 399 . 1 1 34 34 GLN NE2 N 15 110.699 0.130 . 1 . . . . 34 GLN NE2 . 15592 1 400 . 1 1 35 35 THR H H 1 8.146 0.009 . 1 . . . . 35 THR H . 15592 1 401 . 1 1 35 35 THR HA H 1 4.118 0.014 . 1 . . . . 35 THR HA . 15592 1 402 . 1 1 35 35 THR HB H 1 4.381 0.012 . 1 . . . . 35 THR HB . 15592 1 403 . 1 1 35 35 THR HG21 H 1 1.345 0.004 . 1 . . . . 35 THR HG2 . 15592 1 404 . 1 1 35 35 THR HG22 H 1 1.345 0.004 . 1 . . . . 35 THR HG2 . 15592 1 405 . 1 1 35 35 THR HG23 H 1 1.345 0.004 . 1 . . . . 35 THR HG2 . 15592 1 406 . 1 1 35 35 THR C C 13 175.364 0.020 . 1 . . . . 35 THR C . 15592 1 407 . 1 1 35 35 THR CA C 13 65.658 0.193 . 1 . . . . 35 THR CA . 15592 1 408 . 1 1 35 35 THR CB C 13 69.493 0.293 . 1 . . . . 35 THR CB . 15592 1 409 . 1 1 35 35 THR CG2 C 13 21.655 0.226 . 1 . . . . 35 THR CG2 . 15592 1 410 . 1 1 35 35 THR N N 15 114.352 0.178 . 1 . . . . 35 THR N . 15592 1 411 . 1 1 36 36 LYS H H 1 7.489 0.008 . 1 . . . . 36 LYS H . 15592 1 412 . 1 1 36 36 LYS HA H 1 4.526 0.011 . 1 . . . . 36 LYS HA . 15592 1 413 . 1 1 36 36 LYS HB2 H 1 1.549 0.010 . 2 . . . . 36 LYS HB2 . 15592 1 414 . 1 1 36 36 LYS HB3 H 1 2.220 0.013 . 2 . . . . 36 LYS HB3 . 15592 1 415 . 1 1 36 36 LYS HD2 H 1 1.373 0.022 . 2 . . . . 36 LYS HD2 . 15592 1 416 . 1 1 36 36 LYS HD3 H 1 1.568 0.008 . 2 . . . . 36 LYS HD3 . 15592 1 417 . 1 1 36 36 LYS HE2 H 1 2.746 0.004 . 2 . . . . 36 LYS HE2 . 15592 1 418 . 1 1 36 36 LYS HE3 H 1 2.935 0.014 . 2 . . . . 36 LYS HE3 . 15592 1 419 . 1 1 36 36 LYS HG2 H 1 0.954 0.013 . 1 . . . . 36 LYS HG2 . 15592 1 420 . 1 1 36 36 LYS C C 13 176.413 0.032 . 1 . . . . 36 LYS C . 15592 1 421 . 1 1 36 36 LYS CA C 13 52.616 0.141 . 1 . . . . 36 LYS CA . 15592 1 422 . 1 1 36 36 LYS CB C 13 30.131 0.094 . 1 . . . . 36 LYS CB . 15592 1 423 . 1 1 36 36 LYS CD C 13 27.129 0.021 . 1 . . . . 36 LYS CD . 15592 1 424 . 1 1 36 36 LYS CE C 13 42.552 0.249 . 1 . . . . 36 LYS CE . 15592 1 425 . 1 1 36 36 LYS CG C 13 24.775 0.000 . 1 . . . . 36 LYS CG . 15592 1 426 . 1 1 36 36 LYS N N 15 117.515 0.104 . 1 . . . . 36 LYS N . 15592 1 427 . 1 1 37 37 ASN H H 1 7.761 0.010 . 1 . . . . 37 ASN H . 15592 1 428 . 1 1 37 37 ASN HA H 1 3.699 0.009 . 1 . . . . 37 ASN HA . 15592 1 429 . 1 1 37 37 ASN HB2 H 1 2.550 0.009 . 2 . . . . 37 ASN HB2 . 15592 1 430 . 1 1 37 37 ASN HB3 H 1 3.051 0.006 . 2 . . . . 37 ASN HB3 . 15592 1 431 . 1 1 37 37 ASN HD21 H 1 6.836 0.008 . 2 . . . . 37 ASN HD21 . 15592 1 432 . 1 1 37 37 ASN HD22 H 1 7.542 0.008 . 2 . . . . 37 ASN HD22 . 15592 1 433 . 1 1 37 37 ASN C C 13 174.140 0.012 . 1 . . . . 37 ASN C . 15592 1 434 . 1 1 37 37 ASN CA C 13 54.551 0.155 . 1 . . . . 37 ASN CA . 15592 1 435 . 1 1 37 37 ASN CB C 13 36.855 0.228 . 1 . . . . 37 ASN CB . 15592 1 436 . 1 1 37 37 ASN N N 15 118.722 0.118 . 1 . . . . 37 ASN N . 15592 1 437 . 1 1 37 37 ASN ND2 N 15 111.875 0.194 . 1 . . . . 37 ASN ND2 . 15592 1 438 . 1 1 38 38 TYR H H 1 8.458 0.010 . 1 . . . . 38 TYR H . 15592 1 439 . 1 1 38 38 TYR HA H 1 3.475 0.009 . 1 . . . . 38 TYR HA . 15592 1 440 . 1 1 38 38 TYR HB2 H 1 3.115 0.007 . 1 . . . . 38 TYR HB2 . 15592 1 441 . 1 1 38 38 TYR HD1 H 1 6.678 0.008 . 1 . . . . 38 TYR HD . 15592 1 442 . 1 1 38 38 TYR HD2 H 1 6.678 0.008 . 1 . . . . 38 TYR HD . 15592 1 443 . 1 1 38 38 TYR HE1 H 1 6.715 0.009 . 1 . . . . 38 TYR HE . 15592 1 444 . 1 1 38 38 TYR HE2 H 1 6.715 0.009 . 1 . . . . 38 TYR HE . 15592 1 445 . 1 1 38 38 TYR C C 13 172.979 0.035 . 1 . . . . 38 TYR C . 15592 1 446 . 1 1 38 38 TYR CA C 13 58.784 0.244 . 1 . . . . 38 TYR CA . 15592 1 447 . 1 1 38 38 TYR CB C 13 34.780 0.152 . 1 . . . . 38 TYR CB . 15592 1 448 . 1 1 38 38 TYR CD1 C 13 132.685 0.509 . 1 . . . . 38 TYR CD . 15592 1 449 . 1 1 38 38 TYR CD2 C 13 132.685 0.509 . 1 . . . . 38 TYR CD . 15592 1 450 . 1 1 38 38 TYR CE1 C 13 118.142 0.190 . 1 . . . . 38 TYR CE . 15592 1 451 . 1 1 38 38 TYR CE2 C 13 118.142 0.190 . 1 . . . . 38 TYR CE . 15592 1 452 . 1 1 38 38 TYR N N 15 107.780 0.150 . 1 . . . . 38 TYR N . 15592 1 453 . 1 1 39 39 ASP H H 1 7.084 0.013 . 1 . . . . 39 ASP H . 15592 1 454 . 1 1 39 39 ASP HA H 1 4.681 0.007 . 1 . . . . 39 ASP HA . 15592 1 455 . 1 1 39 39 ASP HB2 H 1 2.547 0.007 . 2 . . . . 39 ASP HB2 . 15592 1 456 . 1 1 39 39 ASP HB3 H 1 3.070 0.017 . 2 . . . . 39 ASP HB3 . 15592 1 457 . 1 1 39 39 ASP C C 13 175.564 0.014 . 1 . . . . 39 ASP C . 15592 1 458 . 1 1 39 39 ASP CA C 13 53.222 0.220 . 1 . . . . 39 ASP CA . 15592 1 459 . 1 1 39 39 ASP CB C 13 41.917 0.301 . 1 . . . . 39 ASP CB . 15592 1 460 . 1 1 39 39 ASP N N 15 119.860 0.075 . 1 . . . . 39 ASP N . 15592 1 461 . 1 1 40 40 ILE H H 1 8.502 0.009 . 1 . . . . 40 ILE H . 15592 1 462 . 1 1 40 40 ILE HA H 1 3.510 0.009 . 1 . . . . 40 ILE HA . 15592 1 463 . 1 1 40 40 ILE HB H 1 1.819 0.016 . 1 . . . . 40 ILE HB . 15592 1 464 . 1 1 40 40 ILE HD11 H 1 0.958 0.006 . 1 . . . . 40 ILE HD1 . 15592 1 465 . 1 1 40 40 ILE HD12 H 1 0.958 0.006 . 1 . . . . 40 ILE HD1 . 15592 1 466 . 1 1 40 40 ILE HD13 H 1 0.958 0.006 . 1 . . . . 40 ILE HD1 . 15592 1 467 . 1 1 40 40 ILE HG12 H 1 1.163 0.014 . 2 . . . . 40 ILE HG12 . 15592 1 468 . 1 1 40 40 ILE HG13 H 1 1.702 0.008 . 2 . . . . 40 ILE HG13 . 15592 1 469 . 1 1 40 40 ILE HG21 H 1 0.886 0.012 . 1 . . . . 40 ILE HG2 . 15592 1 470 . 1 1 40 40 ILE HG22 H 1 0.886 0.012 . 1 . . . . 40 ILE HG2 . 15592 1 471 . 1 1 40 40 ILE HG23 H 1 0.886 0.012 . 1 . . . . 40 ILE HG2 . 15592 1 472 . 1 1 40 40 ILE C C 13 177.537 0.020 . 1 . . . . 40 ILE C . 15592 1 473 . 1 1 40 40 ILE CA C 13 65.154 0.364 . 1 . . . . 40 ILE CA . 15592 1 474 . 1 1 40 40 ILE CB C 13 38.092 0.295 . 1 . . . . 40 ILE CB . 15592 1 475 . 1 1 40 40 ILE CD1 C 13 14.223 0.264 . 1 . . . . 40 ILE CD1 . 15592 1 476 . 1 1 40 40 ILE CG1 C 13 28.064 0.151 . 1 . . . . 40 ILE CG1 . 15592 1 477 . 1 1 40 40 ILE CG2 C 13 16.536 0.141 . 1 . . . . 40 ILE CG2 . 15592 1 478 . 1 1 40 40 ILE N N 15 127.024 0.219 . 1 . . . . 40 ILE N . 15592 1 479 . 1 1 41 41 GLY H H 1 8.330 0.006 . 1 . . . . 41 GLY H . 15592 1 480 . 1 1 41 41 GLY HA2 H 1 3.460 0.008 . 2 . . . . 41 GLY HA2 . 15592 1 481 . 1 1 41 41 GLY HA3 H 1 3.895 0.005 . 2 . . . . 41 GLY HA3 . 15592 1 482 . 1 1 41 41 GLY C C 13 174.993 0.027 . 1 . . . . 41 GLY C . 15592 1 483 . 1 1 41 41 GLY CA C 13 47.711 0.092 . 1 . . . . 41 GLY CA . 15592 1 484 . 1 1 41 41 GLY N N 15 107.981 0.093 . 1 . . . . 41 GLY N . 15592 1 485 . 1 1 42 42 ALA H H 1 8.031 0.008 . 1 . . . . 42 ALA H . 15592 1 486 . 1 1 42 42 ALA HA H 1 4.207 0.007 . 1 . . . . 42 ALA HA . 15592 1 487 . 1 1 42 42 ALA HB1 H 1 1.509 0.006 . 1 . . . . 42 ALA HB . 15592 1 488 . 1 1 42 42 ALA HB2 H 1 1.509 0.006 . 1 . . . . 42 ALA HB . 15592 1 489 . 1 1 42 42 ALA HB3 H 1 1.509 0.006 . 1 . . . . 42 ALA HB . 15592 1 490 . 1 1 42 42 ALA C C 13 181.505 0.024 . 1 . . . . 42 ALA C . 15592 1 491 . 1 1 42 42 ALA CA C 13 54.333 0.360 . 1 . . . . 42 ALA CA . 15592 1 492 . 1 1 42 42 ALA CB C 13 18.495 0.192 . 1 . . . . 42 ALA CB . 15592 1 493 . 1 1 42 42 ALA N N 15 123.653 0.082 . 1 . . . . 42 ALA N . 15592 1 494 . 1 1 43 43 ALA H H 1 8.249 0.006 . 1 . . . . 43 ALA H . 15592 1 495 . 1 1 43 43 ALA HA H 1 3.835 0.010 . 1 . . . . 43 ALA HA . 15592 1 496 . 1 1 43 43 ALA HB1 H 1 1.202 0.006 . 1 . . . . 43 ALA HB . 15592 1 497 . 1 1 43 43 ALA HB2 H 1 1.202 0.006 . 1 . . . . 43 ALA HB . 15592 1 498 . 1 1 43 43 ALA HB3 H 1 1.202 0.006 . 1 . . . . 43 ALA HB . 15592 1 499 . 1 1 43 43 ALA C C 13 179.108 0.000 . 1 . . . . 43 ALA C . 15592 1 500 . 1 1 43 43 ALA CA C 13 55.583 0.190 . 1 . . . . 43 ALA CA . 15592 1 501 . 1 1 43 43 ALA CB C 13 16.699 0.109 . 1 . . . . 43 ALA CB . 15592 1 502 . 1 1 43 43 ALA N N 15 121.737 0.106 . 1 . . . . 43 ALA N . 15592 1 503 . 1 1 44 44 LEU H H 1 8.733 0.012 . 1 . . . . 44 LEU H . 15592 1 504 . 1 1 44 44 LEU HA H 1 3.845 0.016 . 1 . . . . 44 LEU HA . 15592 1 505 . 1 1 44 44 LEU HB2 H 1 1.403 0.015 . 2 . . . . 44 LEU HB2 . 15592 1 506 . 1 1 44 44 LEU HB3 H 1 2.014 0.011 . 2 . . . . 44 LEU HB3 . 15592 1 507 . 1 1 44 44 LEU HD11 H 1 0.654 0.009 . 2 . . . . 44 LEU HD1 . 15592 1 508 . 1 1 44 44 LEU HD12 H 1 0.654 0.009 . 2 . . . . 44 LEU HD1 . 15592 1 509 . 1 1 44 44 LEU HD13 H 1 0.654 0.009 . 2 . . . . 44 LEU HD1 . 15592 1 510 . 1 1 44 44 LEU HD21 H 1 0.740 0.009 . 2 . . . . 44 LEU HD2 . 15592 1 511 . 1 1 44 44 LEU HD22 H 1 0.740 0.009 . 2 . . . . 44 LEU HD2 . 15592 1 512 . 1 1 44 44 LEU HD23 H 1 0.740 0.009 . 2 . . . . 44 LEU HD2 . 15592 1 513 . 1 1 44 44 LEU HG H 1 0.775 0.012 . 1 . . . . 44 LEU HG . 15592 1 514 . 1 1 44 44 LEU C C 13 179.526 0.000 . 1 . . . . 44 LEU C . 15592 1 515 . 1 1 44 44 LEU CA C 13 57.784 0.143 . 1 . . . . 44 LEU CA . 15592 1 516 . 1 1 44 44 LEU CB C 13 41.013 0.238 . 1 . . . . 44 LEU CB . 15592 1 517 . 1 1 44 44 LEU CD1 C 13 24.941 0.089 . 2 . . . . 44 LEU CD1 . 15592 1 518 . 1 1 44 44 LEU CD2 C 13 25.034 0.042 . 2 . . . . 44 LEU CD2 . 15592 1 519 . 1 1 44 44 LEU CG C 13 26.935 0.104 . 1 . . . . 44 LEU CG . 15592 1 520 . 1 1 44 44 LEU N N 15 118.513 0.079 . 1 . . . . 44 LEU N . 15592 1 521 . 1 1 45 45 ASP H H 1 8.215 0.008 . 1 . . . . 45 ASP H . 15592 1 522 . 1 1 45 45 ASP HA H 1 4.463 0.004 . 1 . . . . 45 ASP HA . 15592 1 523 . 1 1 45 45 ASP HB2 H 1 2.786 0.012 . 2 . . . . 45 ASP HB2 . 15592 1 524 . 1 1 45 45 ASP HB3 H 1 2.875 0.018 . 2 . . . . 45 ASP HB3 . 15592 1 525 . 1 1 45 45 ASP C C 13 177.961 0.054 . 1 . . . . 45 ASP C . 15592 1 526 . 1 1 45 45 ASP CA C 13 57.089 0.191 . 1 . . . . 45 ASP CA . 15592 1 527 . 1 1 45 45 ASP CB C 13 39.851 0.017 . 1 . . . . 45 ASP CB . 15592 1 528 . 1 1 45 45 ASP N N 15 119.693 0.121 . 1 . . . . 45 ASP N . 15592 1 529 . 1 1 46 46 THR H H 1 7.739 0.011 . 1 . . . . 46 THR H . 15592 1 530 . 1 1 46 46 THR HA H 1 4.124 0.007 . 1 . . . . 46 THR HA . 15592 1 531 . 1 1 46 46 THR HB H 1 4.354 0.012 . 1 . . . . 46 THR HB . 15592 1 532 . 1 1 46 46 THR HG21 H 1 1.313 0.011 . 1 . . . . 46 THR HG2 . 15592 1 533 . 1 1 46 46 THR HG22 H 1 1.313 0.011 . 1 . . . . 46 THR HG2 . 15592 1 534 . 1 1 46 46 THR HG23 H 1 1.313 0.011 . 1 . . . . 46 THR HG2 . 15592 1 535 . 1 1 46 46 THR C C 13 176.258 0.024 . 1 . . . . 46 THR C . 15592 1 536 . 1 1 46 46 THR CA C 13 66.229 0.147 . 1 . . . . 46 THR CA . 15592 1 537 . 1 1 46 46 THR CB C 13 69.255 0.212 . 1 . . . . 46 THR CB . 15592 1 538 . 1 1 46 46 THR CG2 C 13 21.646 0.269 . 1 . . . . 46 THR CG2 . 15592 1 539 . 1 1 46 46 THR N N 15 116.302 0.179 . 1 . . . . 46 THR N . 15592 1 540 . 1 1 47 47 ILE H H 1 8.061 0.012 . 1 . . . . 47 ILE H . 15592 1 541 . 1 1 47 47 ILE HA H 1 3.805 0.011 . 1 . . . . 47 ILE HA . 15592 1 542 . 1 1 47 47 ILE HB H 1 1.895 0.006 . 1 . . . . 47 ILE HB . 15592 1 543 . 1 1 47 47 ILE HD11 H 1 0.647 0.010 . 1 . . . . 47 ILE HD1 . 15592 1 544 . 1 1 47 47 ILE HD12 H 1 0.647 0.010 . 1 . . . . 47 ILE HD1 . 15592 1 545 . 1 1 47 47 ILE HD13 H 1 0.647 0.010 . 1 . . . . 47 ILE HD1 . 15592 1 546 . 1 1 47 47 ILE HG12 H 1 1.230 0.011 . 2 . . . . 47 ILE HG12 . 15592 1 547 . 1 1 47 47 ILE HG13 H 1 1.839 0.022 . 2 . . . . 47 ILE HG13 . 15592 1 548 . 1 1 47 47 ILE HG21 H 1 1.094 0.011 . 1 . . . . 47 ILE HG2 . 15592 1 549 . 1 1 47 47 ILE HG22 H 1 1.094 0.011 . 1 . . . . 47 ILE HG2 . 15592 1 550 . 1 1 47 47 ILE HG23 H 1 1.094 0.011 . 1 . . . . 47 ILE HG2 . 15592 1 551 . 1 1 47 47 ILE C C 13 177.292 0.016 . 1 . . . . 47 ILE C . 15592 1 552 . 1 1 47 47 ILE CA C 13 64.508 0.229 . 1 . . . . 47 ILE CA . 15592 1 553 . 1 1 47 47 ILE CB C 13 38.789 0.216 . 1 . . . . 47 ILE CB . 15592 1 554 . 1 1 47 47 ILE CD1 C 13 13.974 0.110 . 1 . . . . 47 ILE CD1 . 15592 1 555 . 1 1 47 47 ILE CG1 C 13 28.978 0.141 . 1 . . . . 47 ILE CG1 . 15592 1 556 . 1 1 47 47 ILE CG2 C 13 17.512 0.366 . 1 . . . . 47 ILE CG2 . 15592 1 557 . 1 1 47 47 ILE N N 15 122.781 0.138 . 1 . . . . 47 ILE N . 15592 1 558 . 1 1 48 48 GLN H H 1 8.064 0.008 . 1 . . . . 48 GLN H . 15592 1 559 . 1 1 48 48 GLN HA H 1 4.132 0.011 . 1 . . . . 48 GLN HA . 15592 1 560 . 1 1 48 48 GLN HB2 H 1 1.840 0.007 . 2 . . . . 48 GLN HB2 . 15592 1 561 . 1 1 48 48 GLN HB3 H 1 1.964 0.012 . 2 . . . . 48 GLN HB3 . 15592 1 562 . 1 1 48 48 GLN HE21 H 1 6.824 0.012 . 2 . . . . 48 GLN HE21 . 15592 1 563 . 1 1 48 48 GLN HE22 H 1 7.389 0.001 . 2 . . . . 48 GLN HE22 . 15592 1 564 . 1 1 48 48 GLN HG2 H 1 2.179 0.015 . 1 . . . . 48 GLN HG2 . 15592 1 565 . 1 1 48 48 GLN C C 13 176.764 0.031 . 1 . . . . 48 GLN C . 15592 1 566 . 1 1 48 48 GLN CA C 13 57.630 0.159 . 1 . . . . 48 GLN CA . 15592 1 567 . 1 1 48 48 GLN CB C 13 28.129 0.127 . 1 . . . . 48 GLN CB . 15592 1 568 . 1 1 48 48 GLN CG C 13 32.942 0.000 . 1 . . . . 48 GLN CG . 15592 1 569 . 1 1 48 48 GLN N N 15 119.090 0.071 . 1 . . . . 48 GLN N . 15592 1 570 . 1 1 48 48 GLN NE2 N 15 111.106 0.062 . 1 . . . . 48 GLN NE2 . 15592 1 571 . 1 1 49 49 TYR H H 1 7.976 0.010 . 1 . . . . 49 TYR H . 15592 1 572 . 1 1 49 49 TYR HA H 1 4.703 0.011 . 1 . . . . 49 TYR HA . 15592 1 573 . 1 1 49 49 TYR HB2 H 1 3.044 0.008 . 2 . . . . 49 TYR HB2 . 15592 1 574 . 1 1 49 49 TYR HB3 H 1 3.287 0.004 . 2 . . . . 49 TYR HB3 . 15592 1 575 . 1 1 49 49 TYR HD1 H 1 7.241 0.013 . 1 . . . . 49 TYR HD . 15592 1 576 . 1 1 49 49 TYR HD2 H 1 7.241 0.013 . 1 . . . . 49 TYR HD . 15592 1 577 . 1 1 49 49 TYR HE1 H 1 6.867 0.015 . 1 . . . . 49 TYR HE . 15592 1 578 . 1 1 49 49 TYR HE2 H 1 6.867 0.015 . 1 . . . . 49 TYR HE . 15592 1 579 . 1 1 49 49 TYR C C 13 176.283 0.000 . 1 . . . . 49 TYR C . 15592 1 580 . 1 1 49 49 TYR CA C 13 58.333 0.267 . 1 . . . . 49 TYR CA . 15592 1 581 . 1 1 49 49 TYR CB C 13 38.525 0.231 . 1 . . . . 49 TYR CB . 15592 1 582 . 1 1 49 49 TYR CD1 C 13 133.820 0.143 . 1 . . . . 49 TYR CD . 15592 1 583 . 1 1 49 49 TYR CD2 C 13 133.820 0.143 . 1 . . . . 49 TYR CD . 15592 1 584 . 1 1 49 49 TYR CE1 C 13 118.050 0.161 . 1 . . . . 49 TYR CE . 15592 1 585 . 1 1 49 49 TYR CE2 C 13 118.050 0.161 . 1 . . . . 49 TYR CE . 15592 1 586 . 1 1 49 49 TYR N N 15 118.029 0.172 . 1 . . . . 49 TYR N . 15592 1 587 . 1 1 50 50 SER H H 1 7.988 0.008 . 1 . . . . 50 SER H . 15592 1 588 . 1 1 50 50 SER HA H 1 4.468 0.029 . 1 . . . . 50 SER HA . 15592 1 589 . 1 1 50 50 SER HB2 H 1 3.956 0.015 . 1 . . . . 50 SER HB2 . 15592 1 590 . 1 1 50 50 SER C C 13 173.958 0.009 . 1 . . . . 50 SER C . 15592 1 591 . 1 1 50 50 SER CA C 13 62.940 0.142 . 1 . . . . 50 SER CA . 15592 1 592 . 1 1 50 50 SER CB C 13 63.809 0.255 . 1 . . . . 50 SER CB . 15592 1 593 . 1 1 50 50 SER N N 15 115.687 0.036 . 1 . . . . 50 SER N . 15592 1 594 . 1 1 51 51 LYS H H 1 8.137 0.011 . 1 . . . . 51 LYS H . 15592 1 595 . 1 1 51 51 LYS HA H 1 4.355 0.006 . 1 . . . . 51 LYS HA . 15592 1 596 . 1 1 51 51 LYS HB2 H 1 1.761 0.007 . 2 . . . . 51 LYS HB2 . 15592 1 597 . 1 1 51 51 LYS HB3 H 1 1.864 0.004 . 2 . . . . 51 LYS HB3 . 15592 1 598 . 1 1 51 51 LYS HD2 H 1 1.693 0.007 . 1 . . . . 51 LYS HD2 . 15592 1 599 . 1 1 51 51 LYS HE2 H 1 2.991 0.007 . 1 . . . . 51 LYS HE2 . 15592 1 600 . 1 1 51 51 LYS HG2 H 1 1.447 0.006 . 1 . . . . 51 LYS HG2 . 15592 1 601 . 1 1 51 51 LYS C C 13 175.367 0.000 . 1 . . . . 51 LYS C . 15592 1 602 . 1 1 51 51 LYS CA C 13 56.199 0.283 . 1 . . . . 51 LYS CA . 15592 1 603 . 1 1 51 51 LYS CB C 13 32.611 0.038 . 1 . . . . 51 LYS CB . 15592 1 604 . 1 1 51 51 LYS CD C 13 28.716 0.042 . 1 . . . . 51 LYS CD . 15592 1 605 . 1 1 51 51 LYS CE C 13 41.871 0.040 . 1 . . . . 51 LYS CE . 15592 1 606 . 1 1 51 51 LYS CG C 13 24.354 0.051 . 1 . . . . 51 LYS CG . 15592 1 607 . 1 1 51 51 LYS N N 15 122.927 0.067 . 1 . . . . 51 LYS N . 15592 1 608 . 1 1 52 52 HIS H H 1 7.972 0.007 . 1 . . . . 52 HIS H . 15592 1 609 . 1 1 52 52 HIS HA H 1 4.407 0.033 . 1 . . . . 52 HIS HA . 15592 1 610 . 1 1 52 52 HIS HB2 H 1 3.001 0.033 . 2 . . . . 52 HIS HB2 . 15592 1 611 . 1 1 52 52 HIS HB3 H 1 3.162 0.003 . 2 . . . . 52 HIS HB3 . 15592 1 612 . 1 1 52 52 HIS HD2 H 1 7.065 0.016 . 1 . . . . 52 HIS HD2 . 15592 1 613 . 1 1 52 52 HIS HE1 H 1 8.126 0.000 . 1 . . . . 52 HIS HE1 . 15592 1 614 . 1 1 52 52 HIS C C 13 179.261 0.000 . 1 . . . . 52 HIS C . 15592 1 615 . 1 1 52 52 HIS CA C 13 56.949 0.117 . 1 . . . . 52 HIS CA . 15592 1 616 . 1 1 52 52 HIS CB C 13 30.217 0.045 . 1 . . . . 52 HIS CB . 15592 1 617 . 1 1 52 52 HIS CD2 C 13 120.089 0.219 . 1 . . . . 52 HIS CD2 . 15592 1 618 . 1 1 52 52 HIS CE1 C 13 136.633 0.000 . 1 . . . . 52 HIS CE1 . 15592 1 619 . 1 1 52 52 HIS N N 15 125.281 0.083 . 1 . . . . 52 HIS N . 15592 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 15592 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600.13 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 11 '2D 1H-15N HSQC-IPAP' . . . 15592 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 5 5 GLU H H 1 . . 1 1 5 5 GLU N N 15 . 0.236 . . . . . . . . . . . . . . 15592 1 2 DNH . 1 1 6 6 ALA H H 1 . . 1 1 6 6 ALA N N 15 . 1.444 . . . . . . . . . . . . . . 15592 1 3 DNH . 1 1 7 7 ASP H H 1 . . 1 1 7 7 ASP N N 15 . 2.645 . . . . . . . . . . . . . . 15592 1 4 DNH . 1 1 9 9 ARG H H 1 . . 1 1 9 9 ARG N N 15 . -3.317 . . . . . . . . . . . . . . 15592 1 5 DNH . 1 1 10 10 LEU H H 1 . . 1 1 10 10 LEU N N 15 . -3.204 . . . . . . . . . . . . . . 15592 1 6 DNH . 1 1 11 11 ILE H H 1 . . 1 1 11 11 ILE N N 15 . -3.329 . . . . . . . . . . . . . . 15592 1 7 DNH . 1 1 12 12 GLU H H 1 . . 1 1 12 12 GLU N N 15 . -1.265 . . . . . . . . . . . . . . 15592 1 8 DNH . 1 1 13 13 SER H H 1 . . 1 1 13 13 SER N N 15 . -4.985 . . . . . . . . . . . . . . 15592 1 9 DNH . 1 1 14 14 LEU H H 1 . . 1 1 14 14 LEU N N 15 . -7.697 . . . . . . . . . . . . . . 15592 1 10 DNH . 1 1 15 15 SER H H 1 . . 1 1 15 15 SER N N 15 . -1.650 . . . . . . . . . . . . . . 15592 1 11 DNH . 1 1 16 16 GLN H H 1 . . 1 1 16 16 GLN N N 15 . -4.764 . . . . . . . . . . . . . . 15592 1 12 DNH . 1 1 17 17 MET H H 1 . . 1 1 17 17 MET N N 15 . -5.110 . . . . . . . . . . . . . . 15592 1 13 DNH . 1 1 18 18 LEU H H 1 . . 1 1 18 18 LEU N N 15 . -0.838 . . . . . . . . . . . . . . 15592 1 14 DNH . 1 1 19 19 SER H H 1 . . 1 1 19 19 SER N N 15 . -0.020 . . . . . . . . . . . . . . 15592 1 15 DNH . 1 1 20 20 MET H H 1 . . 1 1 20 20 MET N N 15 . -1.626 . . . . . . . . . . . . . . 15592 1 16 DNH . 1 1 21 21 GLY H H 1 . . 1 1 21 21 GLY N N 15 . -1.709 . . . . . . . . . . . . . . 15592 1 17 DNH . 1 1 22 22 PHE H H 1 . . 1 1 22 22 PHE N N 15 . 2.096 . . . . . . . . . . . . . . 15592 1 18 DNH . 1 1 23 23 SER H H 1 . . 1 1 23 23 SER N N 15 . 2.230 . . . . . . . . . . . . . . 15592 1 19 DNH . 1 1 24 24 ASP H H 1 . . 1 1 24 24 ASP N N 15 . 3.521 . . . . . . . . . . . . . . 15592 1 20 DNH . 1 1 25 25 GLU H H 1 . . 1 1 25 25 GLU N N 15 . -2.663 . . . . . . . . . . . . . . 15592 1 21 DNH . 1 1 27 27 GLY H H 1 . . 1 1 27 27 GLY N N 15 . -2.659 . . . . . . . . . . . . . . 15592 1 22 DNH . 1 1 28 28 TRP H H 1 . . 1 1 28 28 TRP N N 15 . 2.158 . . . . . . . . . . . . . . 15592 1 23 DNH . 1 1 29 29 LEU H H 1 . . 1 1 29 29 LEU N N 15 . 2.085 . . . . . . . . . . . . . . 15592 1 24 DNH . 1 1 30 30 THR H H 1 . . 1 1 30 30 THR N N 15 . 3.953 . . . . . . . . . . . . . . 15592 1 25 DNH . 1 1 31 31 ARG H H 1 . . 1 1 31 31 ARG N N 15 . 4.172 . . . . . . . . . . . . . . 15592 1 26 DNH . 1 1 32 32 LEU H H 1 . . 1 1 32 32 LEU N N 15 . 3.543 . . . . . . . . . . . . . . 15592 1 27 DNH . 1 1 33 33 LEU H H 1 . . 1 1 33 33 LEU N N 15 . 3.199 . . . . . . . . . . . . . . 15592 1 28 DNH . 1 1 34 34 GLN H H 1 . . 1 1 34 34 GLN N N 15 . 2.861 . . . . . . . . . . . . . . 15592 1 29 DNH . 1 1 35 35 THR H H 1 . . 1 1 35 35 THR N N 15 . 0.884 . . . . . . . . . . . . . . 15592 1 30 DNH . 1 1 36 36 LYS H H 1 . . 1 1 36 36 LYS N N 15 . 2.148 . . . . . . . . . . . . . . 15592 1 31 DNH . 1 1 37 37 ASN H H 1 . . 1 1 37 37 ASN N N 15 . -1.142 . . . . . . . . . . . . . . 15592 1 32 DNH . 1 1 38 38 TYR H H 1 . . 1 1 38 38 TYR N N 15 . 1.922 . . . . . . . . . . . . . . 15592 1 33 DNH . 1 1 39 39 ASP H H 1 . . 1 1 39 39 ASP N N 15 . -0.496 . . . . . . . . . . . . . . 15592 1 34 DNH . 1 1 40 40 ILE H H 1 . . 1 1 40 40 ILE N N 15 . 3.623 . . . . . . . . . . . . . . 15592 1 35 DNH . 1 1 41 41 GLY H H 1 . . 1 1 41 41 GLY N N 15 . 2.528 . . . . . . . . . . . . . . 15592 1 36 DNH . 1 1 42 42 ALA H H 1 . . 1 1 42 42 ALA N N 15 . 1.224 . . . . . . . . . . . . . . 15592 1 37 DNH . 1 1 43 43 ALA H H 1 . . 1 1 43 43 ALA N N 15 . 3.505 . . . . . . . . . . . . . . 15592 1 38 DNH . 1 1 44 44 LEU H H 1 . . 1 1 44 44 LEU N N 15 . 2.811 . . . . . . . . . . . . . . 15592 1 39 DNH . 1 1 45 45 ASP H H 1 . . 1 1 45 45 ASP N N 15 . 2.574 . . . . . . . . . . . . . . 15592 1 40 DNH . 1 1 47 47 ILE H H 1 . . 1 1 47 47 ILE N N 15 . 4.570 . . . . . . . . . . . . . . 15592 1 41 DNH . 1 1 48 48 GLN H H 1 . . 1 1 48 48 GLN N N 15 . 2.168 . . . . . . . . . . . . . . 15592 1 42 DNH . 1 1 49 49 TYR H H 1 . . 1 1 49 49 TYR N N 15 . 0.437 . . . . . . . . . . . . . . 15592 1 43 DNH . 1 1 50 50 SER H H 1 . . 1 1 50 50 SER N N 15 . 1.038 . . . . . . . . . . . . . . 15592 1 44 DNH . 1 1 51 51 LYS H H 1 . . 1 1 51 51 LYS N N 15 . 0.335 . . . . . . . . . . . . . . 15592 1 45 DNH . 1 1 52 52 HIS H H 1 . . 1 1 52 52 HIS N N 15 . 0.035 . . . . . . . . . . . . . . 15592 1 stop_ save_