data_25343 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25343 _Entry.Title ; Talin-F3 / RIAM N-terminal Peptide complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-13 _Entry.Accession_date 2014-11-13 _Entry.Last_release_date 2014-12-15 _Entry.Original_release_date 2014-12-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Jun Yang . . . 25343 2 Liang Zhu . . . 25343 3 Hao Zhang . . . 25343 4 Jamila Hirbawi . . . 25343 5 Koichi Fukuda . . . 25343 6 Pallavi Dwivedi . . . 25343 7 Jianmin Liu . . . 25343 8 Tatiana Byzova . . . 25343 9 Edward Plow . F. . 25343 10 Jinhua Wu . . . 25343 11 Jun Qin . . . 25343 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 1 'not applicable' 'not applicable' . 25343 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RIAM . 25343 Talin . 25343 Integrin . 25343 NMR . 25343 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25343 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 751 25343 '15N chemical shifts' 90 25343 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-12-15 2014-11-13 original author . 25343 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MWN 'BMRB Entry Tracking System' 25343 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25343 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Conformational activation of talin by RIAM triggers integrin-mediated cell adhesion' _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Jun Yang . . . 25343 1 2 Liang Zhu . . . 25343 1 3 Hao Zhang . . . 25343 1 4 Jamila Hirbawi . . . 25343 1 5 Koichi Fukuda . . . 25343 1 6 Pallavi Dwivedi . . . 25343 1 7 Jianmin Liu . . . 25343 1 8 Tatiana Byzova . . . 25343 1 9 Edward Plow . . . 25343 1 10 Jinhua Wu . . . 25343 1 11 Jun Qin . . . 25343 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25343 _Assembly.ID 1 _Assembly.Name 'Talin-F3 / RIAM N-terminal Peptide complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RIAM-N_peptide 1 $RIAM-N_peptide A . yes native no no . . . 25343 1 2 Talin-F3 2 $Talin-F3 B . yes native no no . . . 25343 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RIAM-N_peptide _Entity.Sf_category entity _Entity.Sf_framecode RIAM-N_peptide _Entity.Entry_ID 25343 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RIAM-N_peptide _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 ; DIDQMFSTLLGEMDLLTQSL GVDT ; _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 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2642.966 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MWN . "Talin-f3 / Riam N-terminal Peptide Complex" . . . . . 100.00 24 100.00 100.00 1.28e-05 . . . . 25343 1 2 no PDB 3ZDL . "Vinculin Head (1-258) In Complex With A Riam Fragment" . . . . . 100.00 32 100.00 100.00 9.93e-06 . . . . 25343 1 3 no PDB 4W8P . "Crystal Structure Of Riam Tbs1 In Complex With Talin R7r8 Domains" . . . . . 79.17 21 100.00 100.00 2.26e-02 . . . . 25343 1 4 no DBJ BAA91384 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 288 100.00 100.00 7.80e-05 . . . . 25343 1 5 no DBJ BAC30983 . "unnamed protein product [Mus musculus]" . . . . . 100.00 282 100.00 100.00 4.17e-05 . . . . 25343 1 6 no DBJ BAC41256 . "proline-rich protein 73 [Homo sapiens]" . . . . . 100.00 666 100.00 100.00 2.92e-06 . . . . 25343 1 7 no DBJ BAE36853 . "unnamed protein product [Mus musculus]" . . . . . 100.00 201 100.00 100.00 9.69e-06 . . . . 25343 1 8 no DBJ BAG64612 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 635 100.00 100.00 2.85e-06 . . . . 25343 1 9 no EMBL CAM24322 . "amyloid beta (A4) precursor protein-binding, family B, member 1 interacting protein [Mus musculus]" . . . . . 100.00 670 100.00 100.00 2.92e-06 . . . . 25343 1 10 no GB AAH23110 . "Amyloid beta (A4) precursor protein-binding, family B, member 1 interacting protein [Mus musculus]" . . . . . 100.00 668 100.00 100.00 2.92e-06 . . . . 25343 1 11 no GB AAH35636 . "APBB1IP protein [Homo sapiens]" . . . . . 100.00 172 100.00 100.00 4.64e-06 . . . . 25343 1 12 no GB AAH54516 . "Amyloid beta (A4) precursor protein-binding, family B, member 1 interacting protein [Homo sapiens]" . . . . . 100.00 666 100.00 100.00 2.92e-06 . . . . 25343 1 13 no GB AAN75525 . "Rap1-interacting adaptor molecule [Homo sapiens]" . . . . . 100.00 665 100.00 100.00 2.91e-06 . . . . 25343 1 14 no GB AIC60178 . "APBB1IP, partial [synthetic construct]" . . . . . 100.00 172 100.00 100.00 4.64e-06 . . . . 25343 1 15 no REF NP_001094047 . "amyloid beta A4 precursor protein-binding family B member 1-interacting protein [Rattus norvegicus]" . . . . . 100.00 664 100.00 100.00 2.91e-06 . . . . 25343 1 16 no REF NP_061916 . "amyloid beta A4 precursor protein-binding family B member 1-interacting protein [Homo sapiens]" . . . . . 100.00 666 100.00 100.00 2.92e-06 . . . . 25343 1 17 no REF NP_062329 . "amyloid beta A4 precursor protein-binding family B member 1-interacting protein [Mus musculus]" . . . . . 100.00 670 100.00 100.00 2.92e-06 . . . . 25343 1 18 no REF XP_001101993 . "PREDICTED: amyloid beta A4 precursor protein-binding family B member 1-interacting protein [Macaca mulatta]" . . . . . 100.00 662 100.00 100.00 2.91e-06 . . . . 25343 1 19 no REF XP_003269424 . "PREDICTED: amyloid beta A4 precursor protein-binding family B member 1-interacting protein [Nomascus leucogenys]" . . . . . 100.00 667 100.00 100.00 2.92e-06 . . . . 25343 1 20 no SP Q7Z5R6 . "RecName: Full=Amyloid beta A4 precursor protein-binding family B member 1-interacting protein; AltName: Full=APBB1-interacting " . . . . . 100.00 666 100.00 100.00 2.92e-06 . . . . 25343 1 21 no SP Q8R5A3 . "RecName: Full=Amyloid beta A4 precursor protein-binding family B member 1-interacting protein; AltName: Full=APBB1-interacting " . . . . . 100.00 670 100.00 100.00 2.92e-06 . . . . 25343 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 1 ASP . 25343 1 2 2 ILE . 25343 1 3 3 ASP . 25343 1 4 4 GLN . 25343 1 5 5 MET . 25343 1 6 6 PHE . 25343 1 7 7 SER . 25343 1 8 8 THR . 25343 1 9 9 LEU . 25343 1 10 10 LEU . 25343 1 11 11 GLY . 25343 1 12 12 GLU . 25343 1 13 13 MET . 25343 1 14 14 ASP . 25343 1 15 15 LEU . 25343 1 16 16 LEU . 25343 1 17 17 THR . 25343 1 18 18 GLN . 25343 1 19 19 SER . 25343 1 20 20 LEU . 25343 1 21 21 GLY . 25343 1 22 22 VAL . 25343 1 23 23 ASP . 25343 1 24 24 THR . 25343 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 . ASP 1 1 25343 1 . ILE 2 2 25343 1 . ASP 3 3 25343 1 . GLN 4 4 25343 1 . MET 5 5 25343 1 . PHE 6 6 25343 1 . SER 7 7 25343 1 . THR 8 8 25343 1 . LEU 9 9 25343 1 . LEU 10 10 25343 1 . GLY 11 11 25343 1 . GLU 12 12 25343 1 . MET 13 13 25343 1 . ASP 14 14 25343 1 . LEU 15 15 25343 1 . LEU 16 16 25343 1 . THR 17 17 25343 1 . GLN 18 18 25343 1 . SER 19 19 25343 1 . LEU 20 20 25343 1 . GLY 21 21 25343 1 . VAL 22 22 25343 1 . ASP 23 23 25343 1 . THR 24 24 25343 1 stop_ save_ save_Talin-F3 _Entity.Sf_category entity _Entity.Sf_framecode Talin-F3 _Entity.Entry_ID 25343 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Talin-F3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; YGVSFFLVKEKMKGKNKLVP RLLGITKECVMRVDEKTKEV IQEWSLTNIKRWAASPKSFT LDFGDYQDGYYSVQTTEGEQ IAQLIAGYIDIIL ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10696.451 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 15792 . talin-F2F3 . . . . . 100.00 201 100.00 100.00 1.00e-59 . . . . 25343 2 2 no BMRB 16932 . F2F3 . . . . . 100.00 216 100.00 100.00 1.93e-59 . . . . 25343 2 3 no PDB 1MIX . "Crystal Structure Of A Ferm Domain Of Talin" . . . . . 100.00 206 100.00 100.00 1.66e-59 . . . . 25343 2 4 no PDB 1MIZ . "Crystal Structure Of An Integrin Beta3-Talin Chimera" . . . . . 100.00 201 100.00 100.00 1.15e-59 . . . . 25343 2 5 no PDB 1MK7 . "Crystal Structure Of An Integrin Beta3-Talin Chimera" . . . . . 100.00 192 100.00 100.00 1.19e-59 . . . . 25343 2 6 no PDB 1MK9 . "Crystal Structure Of An Integrin Beta3-Talin Chimera" . . . . . 100.00 192 100.00 100.00 1.19e-59 . . . . 25343 2 7 no PDB 1Y19 . "Structural Basis For Phosphatidylinositol Phosphate Kinase Type I-Gamma Binding To Talin At Focal Adhesions" . . . . . 100.00 202 100.00 100.00 9.97e-60 . . . . 25343 2 8 no PDB 2G35 . "Nmr Structure Of Talin-Ptb In Complex With Pipki" . . . . . 100.00 100 100.00 100.00 1.20e-60 . . . . 25343 2 9 no PDB 2H7D . "Solution Structure Of The Talin F3 Domain In Complex With A Chimeric Beta3 Integrin-Pip Kinase Peptide" . . . . . 98.92 101 98.91 98.91 2.46e-58 . . . . 25343 2 10 no PDB 2H7E . "Solution Structure Of The Talin F3 Domain In Complex With A Chimeric Beta3 Integrin-Pip Kinase Peptide- Minimized Average Struc" . . . . . 98.92 101 98.91 98.91 2.46e-58 . . . . 25343 2 11 no PDB 2K00 . "Solution Structure Of The Talin F3 In Complex With Layilin Cytodomain" . . . . . 98.92 92 100.00 100.00 1.60e-59 . . . . 25343 2 12 no PDB 2KGX . "Haddock Structure Of The Talin F3 Domain In Complex With Talin 1655-1822" . . . . . 96.77 91 98.89 98.89 6.66e-57 . . . . 25343 2 13 no PDB 2MWN . "Talin-f3 / Riam N-terminal Peptide Complex" . . . . . 100.00 93 100.00 100.00 2.03e-60 . . . . 25343 2 14 no PDB 3IVF . "Crystal Structure Of The Talin Head Ferm Domain" . . . . . 100.00 371 100.00 100.00 9.86e-58 . . . . 25343 2 15 no PDB 4F7G . "Crystal Structure Of Talin Autoinhibition Complex" . . . . . 100.00 222 100.00 100.00 5.94e-60 . . . . 25343 2 16 no DBJ BAA82979 . "KIAA1027 protein [Homo sapiens]" . . . . . 100.00 2550 98.92 100.00 1.38e-55 . . . . 25343 2 17 no DBJ BAC30516 . "unnamed protein product [Mus musculus]" . . . . . 98.92 300 100.00 100.00 3.01e-58 . . . . 25343 2 18 no DBJ BAC65702 . "mKIAA1027 protein [Mus musculus]" . . . . . 100.00 2564 100.00 100.00 3.47e-56 . . . . 25343 2 19 no DBJ BAE27781 . "unnamed protein product [Mus musculus]" . . . . . 100.00 2541 100.00 100.00 3.62e-56 . . . . 25343 2 20 no DBJ BAG09941 . "talin-1 [synthetic construct]" . . . . . 100.00 2541 98.92 100.00 1.17e-55 . . . . 25343 2 21 no EMBL CAA39588 . "talin [Mus musculus]" . . . . . 100.00 2541 100.00 100.00 3.45e-56 . . . . 25343 2 22 no EMBL CDQ87146 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 734 98.92 100.00 3.42e-55 . . . . 25343 2 23 no GB AAD13152 . "talin [Homo sapiens]" . . . . . 100.00 2541 98.92 100.00 1.10e-55 . . . . 25343 2 24 no GB AAF23322 . "talin [Homo sapiens]" . . . . . 100.00 2541 98.92 100.00 1.10e-55 . . . . 25343 2 25 no GB AAF27330 . "talin [Homo sapiens]" . . . . . 100.00 2540 98.92 100.00 1.17e-55 . . . . 25343 2 26 no GB AAH42923 . "Talin 1 [Homo sapiens]" . . . . . 100.00 2541 98.92 100.00 1.43e-55 . . . . 25343 2 27 no GB AAI21760 . "Tln1 protein [Danio rerio]" . . . . . 100.00 405 98.92 98.92 4.63e-56 . . . . 25343 2 28 no PRF 1617167A . talin . . . . . 100.00 2541 100.00 100.00 3.45e-56 . . . . 25343 2 29 no REF NP_001034114 . "talin-1 [Rattus norvegicus]" . . . . . 100.00 2541 100.00 100.00 3.45e-56 . . . . 25343 2 30 no REF NP_001192357 . "talin-1 [Bos taurus]" . . . . . 100.00 2541 98.92 100.00 1.10e-55 . . . . 25343 2 31 no REF NP_006280 . "talin-1 [Homo sapiens]" . . . . . 100.00 2541 98.92 100.00 1.17e-55 . . . . 25343 2 32 no REF NP_035732 . "talin-1 [Mus musculus]" . . . . . 100.00 2541 100.00 100.00 3.45e-56 . . . . 25343 2 33 no REF NP_989854 . "talin-1 [Gallus gallus]" . . . . . 100.00 2541 100.00 100.00 1.17e-55 . . . . 25343 2 34 no SP P26039 . "RecName: Full=Talin-1 [Mus musculus]" . . . . . 100.00 2541 100.00 100.00 3.45e-56 . . . . 25343 2 35 no SP P54939 . "RecName: Full=Talin-1 [Gallus gallus]" . . . . . 100.00 2541 100.00 100.00 1.17e-55 . . . . 25343 2 36 no SP Q9Y490 . "RecName: Full=Talin-1 [Homo sapiens]" . . . . . 100.00 2541 98.92 100.00 1.17e-55 . . . . 25343 2 37 no TPG DAA26829 . "TPA: talin 1 [Bos taurus]" . . . . . 100.00 2541 98.92 100.00 1.17e-55 . . . . 25343 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 1 308 TYR . 25343 2 2 309 GLY . 25343 2 3 310 VAL . 25343 2 4 311 SER . 25343 2 5 312 PHE . 25343 2 6 313 PHE . 25343 2 7 314 LEU . 25343 2 8 315 VAL . 25343 2 9 316 LYS . 25343 2 10 317 GLU . 25343 2 11 318 LYS . 25343 2 12 319 MET . 25343 2 13 320 LYS . 25343 2 14 321 GLY . 25343 2 15 322 LYS . 25343 2 16 323 ASN . 25343 2 17 324 LYS . 25343 2 18 325 LEU . 25343 2 19 326 VAL . 25343 2 20 327 PRO . 25343 2 21 328 ARG . 25343 2 22 329 LEU . 25343 2 23 330 LEU . 25343 2 24 331 GLY . 25343 2 25 332 ILE . 25343 2 26 333 THR . 25343 2 27 334 LYS . 25343 2 28 335 GLU . 25343 2 29 336 CYS . 25343 2 30 337 VAL . 25343 2 31 338 MET . 25343 2 32 339 ARG . 25343 2 33 340 VAL . 25343 2 34 341 ASP . 25343 2 35 342 GLU . 25343 2 36 343 LYS . 25343 2 37 344 THR . 25343 2 38 345 LYS . 25343 2 39 346 GLU . 25343 2 40 347 VAL . 25343 2 41 348 ILE . 25343 2 42 349 GLN . 25343 2 43 350 GLU . 25343 2 44 351 TRP . 25343 2 45 352 SER . 25343 2 46 353 LEU . 25343 2 47 354 THR . 25343 2 48 355 ASN . 25343 2 49 356 ILE . 25343 2 50 357 LYS . 25343 2 51 358 ARG . 25343 2 52 359 TRP . 25343 2 53 360 ALA . 25343 2 54 361 ALA . 25343 2 55 362 SER . 25343 2 56 363 PRO . 25343 2 57 364 LYS . 25343 2 58 365 SER . 25343 2 59 366 PHE . 25343 2 60 367 THR . 25343 2 61 368 LEU . 25343 2 62 369 ASP . 25343 2 63 370 PHE . 25343 2 64 371 GLY . 25343 2 65 372 ASP . 25343 2 66 373 TYR . 25343 2 67 374 GLN . 25343 2 68 375 ASP . 25343 2 69 376 GLY . 25343 2 70 377 TYR . 25343 2 71 378 TYR . 25343 2 72 379 SER . 25343 2 73 380 VAL . 25343 2 74 381 GLN . 25343 2 75 382 THR . 25343 2 76 383 THR . 25343 2 77 384 GLU . 25343 2 78 385 GLY . 25343 2 79 386 GLU . 25343 2 80 387 GLN . 25343 2 81 388 ILE . 25343 2 82 389 ALA . 25343 2 83 390 GLN . 25343 2 84 391 LEU . 25343 2 85 392 ILE . 25343 2 86 393 ALA . 25343 2 87 394 GLY . 25343 2 88 395 TYR . 25343 2 89 396 ILE . 25343 2 90 397 ASP . 25343 2 91 398 ILE . 25343 2 92 399 ILE . 25343 2 93 400 LEU . 25343 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 . TYR 1 1 25343 2 . GLY 2 2 25343 2 . VAL 3 3 25343 2 . SER 4 4 25343 2 . PHE 5 5 25343 2 . PHE 6 6 25343 2 . LEU 7 7 25343 2 . VAL 8 8 25343 2 . LYS 9 9 25343 2 . GLU 10 10 25343 2 . LYS 11 11 25343 2 . MET 12 12 25343 2 . LYS 13 13 25343 2 . GLY 14 14 25343 2 . LYS 15 15 25343 2 . ASN 16 16 25343 2 . LYS 17 17 25343 2 . LEU 18 18 25343 2 . VAL 19 19 25343 2 . PRO 20 20 25343 2 . ARG 21 21 25343 2 . LEU 22 22 25343 2 . LEU 23 23 25343 2 . GLY 24 24 25343 2 . ILE 25 25 25343 2 . THR 26 26 25343 2 . LYS 27 27 25343 2 . GLU 28 28 25343 2 . CYS 29 29 25343 2 . VAL 30 30 25343 2 . MET 31 31 25343 2 . ARG 32 32 25343 2 . VAL 33 33 25343 2 . ASP 34 34 25343 2 . GLU 35 35 25343 2 . LYS 36 36 25343 2 . THR 37 37 25343 2 . LYS 38 38 25343 2 . GLU 39 39 25343 2 . VAL 40 40 25343 2 . ILE 41 41 25343 2 . GLN 42 42 25343 2 . GLU 43 43 25343 2 . TRP 44 44 25343 2 . SER 45 45 25343 2 . LEU 46 46 25343 2 . THR 47 47 25343 2 . ASN 48 48 25343 2 . ILE 49 49 25343 2 . LYS 50 50 25343 2 . ARG 51 51 25343 2 . TRP 52 52 25343 2 . ALA 53 53 25343 2 . ALA 54 54 25343 2 . SER 55 55 25343 2 . PRO 56 56 25343 2 . LYS 57 57 25343 2 . SER 58 58 25343 2 . PHE 59 59 25343 2 . THR 60 60 25343 2 . LEU 61 61 25343 2 . ASP 62 62 25343 2 . PHE 63 63 25343 2 . GLY 64 64 25343 2 . ASP 65 65 25343 2 . TYR 66 66 25343 2 . GLN 67 67 25343 2 . ASP 68 68 25343 2 . GLY 69 69 25343 2 . TYR 70 70 25343 2 . TYR 71 71 25343 2 . SER 72 72 25343 2 . VAL 73 73 25343 2 . GLN 74 74 25343 2 . THR 75 75 25343 2 . THR 76 76 25343 2 . GLU 77 77 25343 2 . GLY 78 78 25343 2 . GLU 79 79 25343 2 . GLN 80 80 25343 2 . ILE 81 81 25343 2 . ALA 82 82 25343 2 . GLN 83 83 25343 2 . LEU 84 84 25343 2 . ILE 85 85 25343 2 . ALA 86 86 25343 2 . GLY 87 87 25343 2 . TYR 88 88 25343 2 . ILE 89 89 25343 2 . ASP 90 90 25343 2 . ILE 91 91 25343 2 . ILE 92 92 25343 2 . LEU 93 93 25343 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 25343 _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 $RIAM-N_peptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25343 1 2 2 $Talin-F3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25343 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 25343 _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 $RIAM-N_peptide . 'chemical synthesis' na . . . . . . . . . . . . . . . . . . na . . na . . . . . . 25343 1 2 2 $Talin-F3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . plasmid . . pET30Xa/LIC . . . . . . 25343 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25343 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Talin-F3 [U-15N] . . 2 $Talin-F3 . . 0.5 . . mM . . . . 25343 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25343 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25343 1 4 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 25343 1 5 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 25343 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25343 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25343 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25343 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RIAM-N peptide' 'natural abundance' . . 1 $RIAM-N_peptide . . 1.5 . . mM . . . . 25343 2 2 Talin-F3 '[U-15N; U-2H]' . . 2 $Talin-F3 . . 0.5 . . mM . . . . 25343 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25343 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25343 2 5 'sodium azide' 'natural abundance' . . . . . . 2 . . mM . . . . 25343 2 6 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 25343 2 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25343 2 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25343 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25343 _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 temperature 273 . K 25343 1 pH 6.8 . pH 25343 1 pressure 1 . atm 25343 1 'ionic strength' 50 . mM 25343 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25343 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25343 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25343 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 25343 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 25343 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25343 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25343 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25343 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25343 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25343 _Software.ID 4 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25343 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25343 4 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 25343 _Software.ID 5 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . 25343 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID evaluation 25343 5 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 25343 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25343 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25343 _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 . . . 25343 1 2 spectrometer_2 Bruker Avance . 900 . . . 25343 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 25343 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25343 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25343 1 3 '2D 1H-1H TOCSY (N/C-filtered)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25343 1 4 '2D 1H-1H NOESY (N/C-filtered)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25343 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 25343 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25343 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25343 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25343 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 25343 _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 '3D 1H-15N NOESY' . . . 25343 1 3 '2D 1H-1H TOCSY (N/C-filtered)' . . . 25343 1 4 '2D 1H-1H NOESY (N/C-filtered)' . . . 25343 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 ASP HA H 1 4.150 0.03 . 1 . . . . 7 ASP HA . 25343 1 2 . 1 1 1 1 ASP HB2 H 1 2.745 0.03 . 1 . . . . 7 ASP HB2 . 25343 1 3 . 1 1 1 1 ASP HB3 H 1 2.590 0.03 . 1 . . . . 7 ASP HB3 . 25343 1 4 . 1 1 2 2 ILE HA H 1 4.065 0.03 . 1 . . . . 8 ILE HA . 25343 1 5 . 1 1 2 2 ILE HB H 1 1.760 0.03 . 1 . . . . 8 ILE HB . 25343 1 6 . 1 1 2 2 ILE HG12 H 1 1.348 0.03 . 1 . . . . 8 ILE HG12 . 25343 1 7 . 1 1 2 2 ILE HG13 H 1 1.076 0.03 . 1 . . . . 8 ILE HG13 . 25343 1 8 . 1 1 2 2 ILE HG21 H 1 0.808 0.03 . 1 . . . . 8 ILE HG2 . 25343 1 9 . 1 1 2 2 ILE HG22 H 1 0.808 0.03 . 1 . . . . 8 ILE HG2 . 25343 1 10 . 1 1 2 2 ILE HG23 H 1 0.808 0.03 . 1 . . . . 8 ILE HG2 . 25343 1 11 . 1 1 2 2 ILE HD11 H 1 0.755 0.03 . 1 . . . . 8 ILE HD1 . 25343 1 12 . 1 1 2 2 ILE HD12 H 1 0.755 0.03 . 1 . . . . 8 ILE HD1 . 25343 1 13 . 1 1 2 2 ILE HD13 H 1 0.755 0.03 . 1 . . . . 8 ILE HD1 . 25343 1 14 . 1 1 3 3 ASP H H 1 8.333 0.03 . 1 . . . . 9 ASP H . 25343 1 15 . 1 1 3 3 ASP HA H 1 4.450 0.03 . 1 . . . . 9 ASP HA . 25343 1 16 . 1 1 3 3 ASP HB2 H 1 2.598 0.03 . 1 . . . . 9 ASP HB2 . 25343 1 17 . 1 1 3 3 ASP HB3 H 1 2.523 0.03 . 1 . . . . 9 ASP HB3 . 25343 1 18 . 1 1 4 4 GLN H H 1 8.245 0.03 . 1 . . . . 10 GLN H . 25343 1 19 . 1 1 4 4 GLN HA H 1 4.126 0.03 . 1 . . . . 10 GLN HA . 25343 1 20 . 1 1 4 4 GLN HB2 H 1 1.960 0.03 . 1 . . . . 10 GLN HB2 . 25343 1 21 . 1 1 4 4 GLN HB3 H 1 1.854 0.03 . 1 . . . . 10 GLN HB3 . 25343 1 22 . 1 1 4 4 GLN HG2 H 1 2.220 0.03 . 1 . . . . 10 GLN HG2 . 25343 1 23 . 1 1 4 4 GLN HE21 H 1 7.460 0.03 . 1 . . . . 10 GLN HE21 . 25343 1 24 . 1 1 4 4 GLN HE22 H 1 6.780 0.03 . 1 . . . . 10 GLN HE22 . 25343 1 25 . 1 1 5 5 MET H H 1 8.282 0.03 . 1 . . . . 11 MET H . 25343 1 26 . 1 1 5 5 MET HA H 1 4.217 0.03 . 1 . . . . 11 MET HA . 25343 1 27 . 1 1 5 5 MET HB2 H 1 1.830 0.03 . 1 . . . . 11 MET HB2 . 25343 1 28 . 1 1 5 5 MET HG2 H 1 2.351 0.03 . 1 . . . . 11 MET HG2 . 25343 1 29 . 1 1 5 5 MET HG3 H 1 2.275 0.03 . 1 . . . . 11 MET HG3 . 25343 1 30 . 1 1 5 5 MET HE1 H 1 1.920 0.03 . 1 . . . . 11 MET HE . 25343 1 31 . 1 1 5 5 MET HE2 H 1 1.920 0.03 . 1 . . . . 11 MET HE . 25343 1 32 . 1 1 5 5 MET HE3 H 1 1.920 0.03 . 1 . . . . 11 MET HE . 25343 1 33 . 1 1 6 6 PHE H H 1 8.110 0.03 . 1 . . . . 12 PHE H . 25343 1 34 . 1 1 6 6 PHE HA H 1 4.490 0.03 . 1 . . . . 12 PHE HA . 25343 1 35 . 1 1 6 6 PHE HB2 H 1 3.083 0.03 . 1 . . . . 12 PHE HB2 . 25343 1 36 . 1 1 6 6 PHE HB3 H 1 2.917 0.03 . 1 . . . . 12 PHE HB3 . 25343 1 37 . 1 1 6 6 PHE HD1 H 1 7.128 0.03 . 3 . . . . 12 PHE HD1 . 25343 1 38 . 1 1 6 6 PHE HD2 H 1 7.128 0.03 . 3 . . . . 12 PHE HD2 . 25343 1 39 . 1 1 6 6 PHE HE1 H 1 7.190 0.03 . 3 . . . . 12 PHE HE1 . 25343 1 40 . 1 1 6 6 PHE HE2 H 1 7.190 0.03 . 3 . . . . 12 PHE HE2 . 25343 1 41 . 1 1 7 7 SER H H 1 8.115 0.03 . 1 . . . . 13 SER H . 25343 1 42 . 1 1 7 7 SER HA H 1 4.299 0.03 . 1 . . . . 13 SER HA . 25343 1 43 . 1 1 7 7 SER HB2 H 1 3.804 0.03 . 1 . . . . 13 SER HB2 . 25343 1 44 . 1 1 7 7 SER HB3 H 1 3.720 0.03 . 1 . . . . 13 SER HB3 . 25343 1 45 . 1 1 8 8 THR H H 1 8.048 0.03 . 1 . . . . 14 THR H . 25343 1 46 . 1 1 8 8 THR HA H 1 4.179 0.03 . 1 . . . . 14 THR HA . 25343 1 47 . 1 1 8 8 THR HB H 1 4.165 0.03 . 1 . . . . 14 THR HB . 25343 1 48 . 1 1 8 8 THR HG21 H 1 1.120 0.03 . 1 . . . . 14 THR HG2 . 25343 1 49 . 1 1 8 8 THR HG22 H 1 1.120 0.03 . 1 . . . . 14 THR HG2 . 25343 1 50 . 1 1 8 8 THR HG23 H 1 1.120 0.03 . 1 . . . . 14 THR HG2 . 25343 1 51 . 1 1 9 9 LEU H H 1 7.900 0.03 . 1 . . . . 15 LEU H . 25343 1 52 . 1 1 9 9 LEU HA H 1 4.123 0.03 . 1 . . . . 15 LEU HA . 25343 1 53 . 1 1 9 9 LEU HB2 H 1 1.575 0.03 . 1 . . . . 15 LEU HB2 . 25343 1 54 . 1 1 9 9 LEU HB3 H 1 1.492 0.03 . 1 . . . . 15 LEU HB3 . 25343 1 55 . 1 1 9 9 LEU HD11 H 1 0.740 0.03 . 1 . . . . 15 LEU HD1 . 25343 1 56 . 1 1 9 9 LEU HD12 H 1 0.740 0.03 . 1 . . . . 15 LEU HD1 . 25343 1 57 . 1 1 9 9 LEU HD13 H 1 0.740 0.03 . 1 . . . . 15 LEU HD1 . 25343 1 58 . 1 1 9 9 LEU HD21 H 1 0.799 0.03 . 1 . . . . 15 LEU HD2 . 25343 1 59 . 1 1 9 9 LEU HD22 H 1 0.799 0.03 . 1 . . . . 15 LEU HD2 . 25343 1 60 . 1 1 9 9 LEU HD23 H 1 0.799 0.03 . 1 . . . . 15 LEU HD2 . 25343 1 61 . 1 1 10 10 LEU H H 1 8.048 0.03 . 1 . . . . 16 LEU H . 25343 1 62 . 1 1 10 10 LEU HA H 1 4.213 0.03 . 1 . . . . 16 LEU HA . 25343 1 63 . 1 1 10 10 LEU HB2 H 1 1.658 0.03 . 1 . . . . 16 LEU HB2 . 25343 1 64 . 1 1 10 10 LEU HB3 H 1 1.524 0.03 . 1 . . . . 16 LEU HB3 . 25343 1 65 . 1 1 10 10 LEU HD11 H 1 0.770 0.03 . 1 . . . . 16 LEU HD1 . 25343 1 66 . 1 1 10 10 LEU HD12 H 1 0.770 0.03 . 1 . . . . 16 LEU HD1 . 25343 1 67 . 1 1 10 10 LEU HD13 H 1 0.770 0.03 . 1 . . . . 16 LEU HD1 . 25343 1 68 . 1 1 10 10 LEU HD21 H 1 0.770 0.03 . 1 . . . . 16 LEU HD2 . 25343 1 69 . 1 1 10 10 LEU HD22 H 1 0.770 0.03 . 1 . . . . 16 LEU HD2 . 25343 1 70 . 1 1 10 10 LEU HD23 H 1 0.770 0.03 . 1 . . . . 16 LEU HD2 . 25343 1 71 . 1 1 11 11 GLY H H 1 8.208 0.03 . 1 . . . . 17 GLY H . 25343 1 72 . 1 1 11 11 GLY HA2 H 1 3.775 0.03 . 1 . . . . 17 GLY HA2 . 25343 1 73 . 1 1 12 12 GLU H H 1 8.149 0.03 . 1 . . . . 18 GLU H . 25343 1 74 . 1 1 12 12 GLU HA H 1 4.123 0.03 . 1 . . . . 18 GLU HA . 25343 1 75 . 1 1 12 12 GLU HB2 H 1 1.962 0.03 . 1 . . . . 18 GLU HB2 . 25343 1 76 . 1 1 12 12 GLU HB3 H 1 1.862 0.03 . 1 . . . . 18 GLU HB3 . 25343 1 77 . 1 1 12 12 GLU HG2 H 1 2.170 0.03 . 1 . . . . 18 GLU HG2 . 25343 1 78 . 1 1 12 12 GLU HG3 H 1 2.140 0.03 . 1 . . . . 18 GLU HG3 . 25343 1 79 . 1 1 13 13 MET H H 1 8.256 0.03 . 1 . . . . 19 MET H . 25343 1 80 . 1 1 13 13 MET HA H 1 4.286 0.03 . 1 . . . . 19 MET HA . 25343 1 81 . 1 1 13 13 MET HB2 H 1 1.948 0.03 . 1 . . . . 19 MET HB2 . 25343 1 82 . 1 1 13 13 MET HG2 H 1 2.495 0.03 . 1 . . . . 19 MET HG2 . 25343 1 83 . 1 1 13 13 MET HG3 H 1 2.410 0.03 . 1 . . . . 19 MET HG3 . 25343 1 84 . 1 1 13 13 MET HE1 H 1 1.950 0.03 . 1 . . . . 19 MET HE . 25343 1 85 . 1 1 13 13 MET HE2 H 1 1.950 0.03 . 1 . . . . 19 MET HE . 25343 1 86 . 1 1 13 13 MET HE3 H 1 1.950 0.03 . 1 . . . . 19 MET HE . 25343 1 87 . 1 1 14 14 ASP H H 1 8.166 0.03 . 1 . . . . 20 ASP H . 25343 1 88 . 1 1 14 14 ASP HA H 1 4.443 0.03 . 1 . . . . 20 ASP HA . 25343 1 89 . 1 1 14 14 ASP HB2 H 1 2.615 0.03 . 1 . . . . 20 ASP HB2 . 25343 1 90 . 1 1 14 14 ASP HB3 H 1 2.521 0.03 . 1 . . . . 20 ASP HB3 . 25343 1 91 . 1 1 15 15 LEU H H 1 8.000 0.03 . 1 . . . . 21 LEU H . 25343 1 92 . 1 1 15 15 LEU HA H 1 4.123 0.03 . 1 . . . . 21 LEU HA . 25343 1 93 . 1 1 15 15 LEU HB2 H 1 1.575 0.03 . 1 . . . . 21 LEU HB2 . 25343 1 94 . 1 1 15 15 LEU HB3 H 1 1.500 0.03 . 1 . . . . 21 LEU HB3 . 25343 1 95 . 1 1 15 15 LEU HD11 H 1 0.800 0.03 . 1 . . . . 21 LEU HD1 . 25343 1 96 . 1 1 15 15 LEU HD12 H 1 0.800 0.03 . 1 . . . . 21 LEU HD1 . 25343 1 97 . 1 1 15 15 LEU HD13 H 1 0.800 0.03 . 1 . . . . 21 LEU HD1 . 25343 1 98 . 1 1 15 15 LEU HD21 H 1 0.740 0.03 . 1 . . . . 21 LEU HD2 . 25343 1 99 . 1 1 15 15 LEU HD22 H 1 0.740 0.03 . 1 . . . . 21 LEU HD2 . 25343 1 100 . 1 1 15 15 LEU HD23 H 1 0.740 0.03 . 1 . . . . 21 LEU HD2 . 25343 1 101 . 1 1 16 16 LEU HD11 H 1 0.773 0.03 . 1 . . . . 22 LEU HD1 . 25343 1 102 . 1 1 16 16 LEU HD12 H 1 0.773 0.03 . 1 . . . . 22 LEU HD1 . 25343 1 103 . 1 1 16 16 LEU HD13 H 1 0.773 0.03 . 1 . . . . 22 LEU HD1 . 25343 1 104 . 1 1 16 16 LEU HD21 H 1 0.773 0.03 . 1 . . . . 22 LEU HD2 . 25343 1 105 . 1 1 16 16 LEU HD22 H 1 0.773 0.03 . 1 . . . . 22 LEU HD2 . 25343 1 106 . 1 1 16 16 LEU HD23 H 1 0.773 0.03 . 1 . . . . 22 LEU HD2 . 25343 1 107 . 1 1 17 17 THR H H 1 7.902 0.03 . 1 . . . . 23 THR H . 25343 1 108 . 1 1 17 17 THR HA H 1 4.122 0.03 . 1 . . . . 23 THR HA . 25343 1 109 . 1 1 17 17 THR HB H 1 4.128 0.03 . 1 . . . . 23 THR HB . 25343 1 110 . 1 1 17 17 THR HG21 H 1 1.100 0.03 . 1 . . . . 23 THR HG2 . 25343 1 111 . 1 1 17 17 THR HG22 H 1 1.100 0.03 . 1 . . . . 23 THR HG2 . 25343 1 112 . 1 1 17 17 THR HG23 H 1 1.100 0.03 . 1 . . . . 23 THR HG2 . 25343 1 113 . 1 1 18 18 GLN H H 1 8.105 0.03 . 1 . . . . 24 GLN H . 25343 1 114 . 1 1 18 18 GLN HA H 1 4.220 0.03 . 1 . . . . 24 GLN HA . 25343 1 115 . 1 1 18 18 GLN HB2 H 1 2.023 0.03 . 1 . . . . 24 GLN HB2 . 25343 1 116 . 1 1 18 18 GLN HB3 H 1 1.910 0.03 . 1 . . . . 24 GLN HB3 . 25343 1 117 . 1 1 18 18 GLN HG2 H 1 2.280 0.03 . 1 . . . . 24 GLN HG2 . 25343 1 118 . 1 1 18 18 GLN HE21 H 1 7.445 0.03 . 1 . . . . 24 GLN HE21 . 25343 1 119 . 1 1 18 18 GLN HE22 H 1 6.755 0.03 . 1 . . . . 24 GLN HE22 . 25343 1 120 . 1 1 19 19 SER H H 1 8.210 0.03 . 1 . . . . 25 SER H . 25343 1 121 . 1 1 19 19 SER HA H 1 4.335 0.03 . 1 . . . . 25 SER HA . 25343 1 122 . 1 1 19 19 SER HB2 H 1 3.775 0.03 . 1 . . . . 25 SER HB2 . 25343 1 123 . 1 1 20 20 LEU H H 1 8.150 0.03 . 1 . . . . 26 LEU H . 25343 1 124 . 1 1 20 20 LEU HA H 1 4.118 0.03 . 1 . . . . 26 LEU HA . 25343 1 125 . 1 1 20 20 LEU HB2 H 1 1.586 0.03 . 1 . . . . 26 LEU HB2 . 25343 1 126 . 1 1 20 20 LEU HB3 H 1 1.499 0.03 . 1 . . . . 26 LEU HB3 . 25343 1 127 . 1 1 20 20 LEU HD11 H 1 0.805 0.03 . 1 . . . . 26 LEU HD1 . 25343 1 128 . 1 1 20 20 LEU HD12 H 1 0.805 0.03 . 1 . . . . 26 LEU HD1 . 25343 1 129 . 1 1 20 20 LEU HD13 H 1 0.805 0.03 . 1 . . . . 26 LEU HD1 . 25343 1 130 . 1 1 20 20 LEU HD21 H 1 0.751 0.03 . 1 . . . . 26 LEU HD2 . 25343 1 131 . 1 1 20 20 LEU HD22 H 1 0.751 0.03 . 1 . . . . 26 LEU HD2 . 25343 1 132 . 1 1 20 20 LEU HD23 H 1 0.751 0.03 . 1 . . . . 26 LEU HD2 . 25343 1 133 . 1 1 21 21 GLY H H 1 8.266 0.03 . 1 . . . . 27 GLY H . 25343 1 134 . 1 1 21 21 GLY HA2 H 1 3.868 0.03 . 1 . . . . 27 GLY HA2 . 25343 1 135 . 1 1 21 21 GLY HA3 H 1 3.832 0.03 . 1 . . . . 27 GLY HA3 . 25343 1 136 . 1 1 22 22 VAL H H 1 7.853 0.03 . 1 . . . . 28 VAL H . 25343 1 137 . 1 1 22 22 VAL HA H 1 4.098 0.03 . 1 . . . . 28 VAL HA . 25343 1 138 . 1 1 22 22 VAL HB H 1 2.010 0.03 . 1 . . . . 28 VAL HB . 25343 1 139 . 1 1 22 22 VAL HG11 H 1 0.830 0.03 . 1 . . . . 28 VAL HG1 . 25343 1 140 . 1 1 22 22 VAL HG12 H 1 0.830 0.03 . 1 . . . . 28 VAL HG1 . 25343 1 141 . 1 1 22 22 VAL HG13 H 1 0.830 0.03 . 1 . . . . 28 VAL HG1 . 25343 1 142 . 1 1 22 22 VAL HG21 H 1 0.795 0.03 . 1 . . . . 28 VAL HG2 . 25343 1 143 . 1 1 22 22 VAL HG22 H 1 0.795 0.03 . 1 . . . . 28 VAL HG2 . 25343 1 144 . 1 1 22 22 VAL HG23 H 1 0.795 0.03 . 1 . . . . 28 VAL HG2 . 25343 1 145 . 1 1 23 23 ASP H H 1 8.400 0.03 . 1 . . . . 29 ASP H . 25343 1 146 . 1 1 23 23 ASP HA H 1 4.604 0.03 . 1 . . . . 29 ASP HA . 25343 1 147 . 1 1 23 23 ASP HB2 H 1 2.651 0.03 . 1 . . . . 29 ASP HB2 . 25343 1 148 . 1 1 23 23 ASP HB3 H 1 2.500 0.03 . 1 . . . . 29 ASP HB3 . 25343 1 149 . 1 1 24 24 THR H H 1 7.632 0.03 . 1 . . . . 30 THR H . 25343 1 150 . 1 1 24 24 THR HA H 1 4.015 0.03 . 1 . . . . 30 THR HA . 25343 1 151 . 1 1 24 24 THR HB H 1 4.111 0.03 . 1 . . . . 30 THR HB . 25343 1 152 . 1 1 24 24 THR HG21 H 1 1.046 0.03 . 1 . . . . 30 THR HG2 . 25343 1 153 . 1 1 24 24 THR HG22 H 1 1.046 0.03 . 1 . . . . 30 THR HG2 . 25343 1 154 . 1 1 24 24 THR HG23 H 1 1.046 0.03 . 1 . . . . 30 THR HG2 . 25343 1 155 . 2 2 3 3 VAL H H 1 6.942 0.03 . 1 . . . B 310 VAL H . 25343 1 156 . 2 2 3 3 VAL HA H 1 3.490 0.03 . 1 . . . B 310 VAL HA . 25343 1 157 . 2 2 3 3 VAL HB H 1 1.625 0.03 . 1 . . . B 310 VAL HB . 25343 1 158 . 2 2 3 3 VAL HG11 H 1 -0.254 0.03 . 1 . . . B 310 VAL HG11 . 25343 1 159 . 2 2 3 3 VAL HG12 H 1 -0.254 0.03 . 1 . . . B 310 VAL HG12 . 25343 1 160 . 2 2 3 3 VAL HG13 H 1 -0.254 0.03 . 1 . . . B 310 VAL HG13 . 25343 1 161 . 2 2 3 3 VAL HG21 H 1 0.476 0.03 . 1 . . . B 310 VAL HG21 . 25343 1 162 . 2 2 3 3 VAL HG22 H 1 0.476 0.03 . 1 . . . B 310 VAL HG22 . 25343 1 163 . 2 2 3 3 VAL HG23 H 1 0.476 0.03 . 1 . . . B 310 VAL HG23 . 25343 1 164 . 2 2 3 3 VAL N N 15 121.600 0.25 . 1 . . . B 310 VAL N . 25343 1 165 . 2 2 4 4 SER H H 1 7.380 0.03 . 1 . . . B 311 SER H . 25343 1 166 . 2 2 4 4 SER HA H 1 4.328 0.03 . 1 . . . B 311 SER HA . 25343 1 167 . 2 2 4 4 SER HB2 H 1 3.670 0.03 . 1 . . . B 311 SER HB2 . 25343 1 168 . 2 2 4 4 SER HB3 H 1 3.596 0.03 . 1 . . . B 311 SER HB3 . 25343 1 169 . 2 2 4 4 SER N N 15 121.970 0.25 . 1 . . . B 311 SER N . 25343 1 170 . 2 2 5 5 PHE H H 1 8.599 0.03 . 1 . . . B 312 PHE H . 25343 1 171 . 2 2 5 5 PHE HA H 1 5.351 0.03 . 1 . . . B 312 PHE HA . 25343 1 172 . 2 2 5 5 PHE HB2 H 1 2.714 0.03 . 1 . . . B 312 PHE HB2 . 25343 1 173 . 2 2 5 5 PHE HB3 H 1 2.642 0.03 . 1 . . . B 312 PHE HB3 . 25343 1 174 . 2 2 5 5 PHE HD1 H 1 6.993 0.03 . 3 . . . B 312 PHE HD1 . 25343 1 175 . 2 2 5 5 PHE HD2 H 1 6.993 0.03 . 3 . . . B 312 PHE HD2 . 25343 1 176 . 2 2 5 5 PHE HE1 H 1 6.824 0.03 . 3 . . . B 312 PHE HE1 . 25343 1 177 . 2 2 5 5 PHE HE2 H 1 6.824 0.03 . 3 . . . B 312 PHE HE2 . 25343 1 178 . 2 2 5 5 PHE N N 15 123.080 0.25 . 1 . . . B 312 PHE N . 25343 1 179 . 2 2 6 6 PHE H H 1 9.097 0.03 . 1 . . . B 313 PHE H . 25343 1 180 . 2 2 6 6 PHE HA H 1 4.451 0.03 . 1 . . . B 313 PHE HA . 25343 1 181 . 2 2 6 6 PHE HB2 H 1 2.943 0.03 . 1 . . . B 313 PHE HB2 . 25343 1 182 . 2 2 6 6 PHE HB3 H 1 2.496 0.03 . 1 . . . B 313 PHE HB3 . 25343 1 183 . 2 2 6 6 PHE HD1 H 1 7.051 0.03 . 3 . . . B 313 PHE HD1 . 25343 1 184 . 2 2 6 6 PHE HD2 H 1 7.051 0.03 . 3 . . . B 313 PHE HD2 . 25343 1 185 . 2 2 6 6 PHE HE1 H 1 6.829 0.03 . 3 . . . B 313 PHE HE1 . 25343 1 186 . 2 2 6 6 PHE HE2 H 1 6.829 0.03 . 3 . . . B 313 PHE HE2 . 25343 1 187 . 2 2 6 6 PHE N N 15 119.100 0.25 . 1 . . . B 313 PHE N . 25343 1 188 . 2 2 7 7 LEU H H 1 9.360 0.03 . 1 . . . B 314 LEU H . 25343 1 189 . 2 2 7 7 LEU HA H 1 4.906 0.03 . 1 . . . B 314 LEU HA . 25343 1 190 . 2 2 7 7 LEU HB2 H 1 1.905 0.03 . 1 . . . B 314 LEU HB2 . 25343 1 191 . 2 2 7 7 LEU HB3 H 1 1.355 0.03 . 1 . . . B 314 LEU HB3 . 25343 1 192 . 2 2 7 7 LEU HG H 1 1.387 0.03 . 1 . . . B 314 LEU HG . 25343 1 193 . 2 2 7 7 LEU HD11 H 1 0.812 0.03 . 1 . . . B 314 LEU HD11 . 25343 1 194 . 2 2 7 7 LEU HD12 H 1 0.812 0.03 . 1 . . . B 314 LEU HD12 . 25343 1 195 . 2 2 7 7 LEU HD13 H 1 0.812 0.03 . 1 . . . B 314 LEU HD13 . 25343 1 196 . 2 2 7 7 LEU HD21 H 1 0.812 0.03 . 1 . . . B 314 LEU HD21 . 25343 1 197 . 2 2 7 7 LEU HD22 H 1 0.812 0.03 . 1 . . . B 314 LEU HD22 . 25343 1 198 . 2 2 7 7 LEU HD23 H 1 0.812 0.03 . 1 . . . B 314 LEU HD23 . 25343 1 199 . 2 2 7 7 LEU N N 15 127.010 0.25 . 1 . . . B 314 LEU N . 25343 1 200 . 2 2 8 8 VAL H H 1 9.217 0.03 . 1 . . . B 315 VAL H . 25343 1 201 . 2 2 8 8 VAL HA H 1 4.994 0.03 . 1 . . . B 315 VAL HA . 25343 1 202 . 2 2 8 8 VAL HB H 1 2.081 0.03 . 1 . . . B 315 VAL HB . 25343 1 203 . 2 2 8 8 VAL HG11 H 1 0.828 0.03 . 1 . . . B 315 VAL HG11 . 25343 1 204 . 2 2 8 8 VAL HG12 H 1 0.828 0.03 . 1 . . . B 315 VAL HG12 . 25343 1 205 . 2 2 8 8 VAL HG13 H 1 0.828 0.03 . 1 . . . B 315 VAL HG13 . 25343 1 206 . 2 2 8 8 VAL HG21 H 1 0.828 0.03 . 1 . . . B 315 VAL HG21 . 25343 1 207 . 2 2 8 8 VAL HG22 H 1 0.828 0.03 . 1 . . . B 315 VAL HG22 . 25343 1 208 . 2 2 8 8 VAL HG23 H 1 0.828 0.03 . 1 . . . B 315 VAL HG23 . 25343 1 209 . 2 2 8 8 VAL N N 15 123.470 0.25 . 1 . . . B 315 VAL N . 25343 1 210 . 2 2 9 9 LYS H H 1 8.300 0.03 . 1 . . . B 316 LYS H . 25343 1 211 . 2 2 9 9 LYS HA H 1 5.097 0.03 . 1 . . . B 316 LYS HA . 25343 1 212 . 2 2 9 9 LYS HB2 H 1 1.442 0.03 . 1 . . . B 316 LYS HB2 . 25343 1 213 . 2 2 9 9 LYS HB3 H 1 1.442 0.03 . 1 . . . B 316 LYS HB3 . 25343 1 214 . 2 2 9 9 LYS HG2 H 1 1.075 0.03 . 1 . . . B 316 LYS HG2 . 25343 1 215 . 2 2 9 9 LYS HG3 H 1 1.075 0.03 . 1 . . . B 316 LYS HG3 . 25343 1 216 . 2 2 9 9 LYS N N 15 116.380 0.25 . 1 . . . B 316 LYS N . 25343 1 217 . 2 2 10 10 GLU H H 1 9.133 0.03 . 1 . . . B 317 GLU H . 25343 1 218 . 2 2 10 10 GLU HA H 1 4.555 0.03 . 1 . . . B 317 GLU HA . 25343 1 219 . 2 2 10 10 GLU HB2 H 1 2.001 0.03 . 1 . . . B 317 GLU HB2 . 25343 1 220 . 2 2 10 10 GLU HB3 H 1 2.001 0.03 . 1 . . . B 317 GLU HB3 . 25343 1 221 . 2 2 10 10 GLU HG2 H 1 2.248 0.03 . 1 . . . B 317 GLU HG2 . 25343 1 222 . 2 2 10 10 GLU HG3 H 1 2.248 0.03 . 1 . . . B 317 GLU HG3 . 25343 1 223 . 2 2 10 10 GLU N N 15 123.400 0.25 . 1 . . . B 317 GLU N . 25343 1 224 . 2 2 11 11 LYS H H 1 8.785 0.03 . 1 . . . B 318 LYS H . 25343 1 225 . 2 2 11 11 LYS HA H 1 4.550 0.03 . 1 . . . B 318 LYS HA . 25343 1 226 . 2 2 11 11 LYS HB2 H 1 1.522 0.03 . 1 . . . B 318 LYS HB2 . 25343 1 227 . 2 2 11 11 LYS HB3 H 1 1.522 0.03 . 1 . . . B 318 LYS HB3 . 25343 1 228 . 2 2 11 11 LYS HG2 H 1 1.603 0.03 . 1 . . . B 318 LYS HG2 . 25343 1 229 . 2 2 11 11 LYS HG3 H 1 1.291 0.03 . 1 . . . B 318 LYS HG3 . 25343 1 230 . 2 2 11 11 LYS HD2 H 1 0.892 0.03 . 1 . . . B 318 LYS HD2 . 25343 1 231 . 2 2 11 11 LYS HD3 H 1 0.612 0.03 . 1 . . . B 318 LYS HD3 . 25343 1 232 . 2 2 11 11 LYS HE2 H 1 2.871 0.03 . 1 . . . B 318 LYS HE2 . 25343 1 233 . 2 2 11 11 LYS HE3 H 1 2.871 0.03 . 1 . . . B 318 LYS HE3 . 25343 1 234 . 2 2 11 11 LYS N N 15 124.110 0.25 . 1 . . . B 318 LYS N . 25343 1 235 . 2 2 12 12 MET H H 1 8.837 0.03 . 1 . . . B 319 MET H . 25343 1 236 . 2 2 12 12 MET HA H 1 4.491 0.03 . 1 . . . B 319 MET HA . 25343 1 237 . 2 2 12 12 MET HB2 H 1 2.001 0.03 . 1 . . . B 319 MET HB2 . 25343 1 238 . 2 2 12 12 MET HB3 H 1 2.001 0.03 . 1 . . . B 319 MET HB3 . 25343 1 239 . 2 2 12 12 MET HG2 H 1 2.448 0.03 . 1 . . . B 319 MET HG2 . 25343 1 240 . 2 2 12 12 MET HG3 H 1 2.448 0.03 . 1 . . . B 319 MET HG3 . 25343 1 241 . 2 2 12 12 MET HE1 H 1 1.793 0.03 . 1 . . . B 319 MET HE1 . 25343 1 242 . 2 2 12 12 MET HE2 H 1 1.793 0.03 . 1 . . . B 319 MET HE2 . 25343 1 243 . 2 2 12 12 MET HE3 H 1 1.793 0.03 . 1 . . . B 319 MET HE3 . 25343 1 244 . 2 2 12 12 MET N N 15 127.070 0.25 . 1 . . . B 319 MET N . 25343 1 245 . 2 2 13 13 LYS H H 1 8.550 0.03 . 1 . . . B 320 LYS H . 25343 1 246 . 2 2 13 13 LYS HA H 1 4.028 0.03 . 1 . . . B 320 LYS HA . 25343 1 247 . 2 2 13 13 LYS HB2 H 1 1.754 0.03 . 1 . . . B 320 LYS HB2 . 25343 1 248 . 2 2 13 13 LYS HB3 H 1 1.658 0.03 . 1 . . . B 320 LYS HB3 . 25343 1 249 . 2 2 13 13 LYS HG2 H 1 1.402 0.03 . 1 . . . B 320 LYS HG2 . 25343 1 250 . 2 2 13 13 LYS HG3 H 1 1.307 0.03 . 1 . . . B 320 LYS HG3 . 25343 1 251 . 2 2 13 13 LYS HD2 H 1 1.442 0.03 . 1 . . . B 320 LYS HD2 . 25343 1 252 . 2 2 13 13 LYS HD3 H 1 1.442 0.03 . 1 . . . B 320 LYS HD3 . 25343 1 253 . 2 2 13 13 LYS HE2 H 1 2.911 0.03 . 1 . . . B 320 LYS HE2 . 25343 1 254 . 2 2 13 13 LYS HE3 H 1 2.911 0.03 . 1 . . . B 320 LYS HE3 . 25343 1 255 . 2 2 13 13 LYS N N 15 124.970 0.25 . 1 . . . B 320 LYS N . 25343 1 256 . 2 2 14 14 GLY H H 1 8.745 0.03 . 1 . . . B 321 GLY H . 25343 1 257 . 2 2 14 14 GLY HA2 H 1 3.637 0.03 . 1 . . . B 321 GLY HA2 . 25343 1 258 . 2 2 14 14 GLY HA3 H 1 4.020 0.03 . 1 . . . B 321 GLY HA3 . 25343 1 259 . 2 2 14 14 GLY N N 15 112.880 0.25 . 1 . . . B 321 GLY N . 25343 1 260 . 2 2 15 15 LYS H H 1 7.616 0.03 . 1 . . . B 322 LYS H . 25343 1 261 . 2 2 15 15 LYS HA H 1 4.531 0.03 . 1 . . . B 322 LYS HA . 25343 1 262 . 2 2 15 15 LYS HB2 H 1 1.993 0.03 . 1 . . . B 322 LYS HB2 . 25343 1 263 . 2 2 15 15 LYS HB3 H 1 1.786 0.03 . 1 . . . B 322 LYS HB3 . 25343 1 264 . 2 2 15 15 LYS HG2 H 1 1.291 0.03 . 1 . . . B 322 LYS HG2 . 25343 1 265 . 2 2 15 15 LYS HG3 H 1 1.291 0.03 . 1 . . . B 322 LYS HG3 . 25343 1 266 . 2 2 15 15 LYS HD2 H 1 1.610 0.03 . 1 . . . B 322 LYS HD2 . 25343 1 267 . 2 2 15 15 LYS HD3 H 1 1.610 0.03 . 1 . . . B 322 LYS HD3 . 25343 1 268 . 2 2 15 15 LYS HE2 H 1 2.879 0.03 . 1 . . . B 322 LYS HE2 . 25343 1 269 . 2 2 15 15 LYS HE3 H 1 2.879 0.03 . 1 . . . B 322 LYS HE3 . 25343 1 270 . 2 2 15 15 LYS N N 15 118.460 0.25 . 1 . . . B 322 LYS N . 25343 1 271 . 2 2 16 16 ASN HA H 1 4.602 0.03 . 1 . . . B 323 ASN HA . 25343 1 272 . 2 2 16 16 ASN HB2 H 1 2.767 0.03 . 1 . . . B 323 ASN HB2 . 25343 1 273 . 2 2 16 16 ASN HB3 H 1 2.631 0.03 . 1 . . . B 323 ASN HB3 . 25343 1 274 . 2 2 17 17 LYS H H 1 7.353 0.03 . 1 . . . B 324 LYS H . 25343 1 275 . 2 2 17 17 LYS HA H 1 4.355 0.03 . 1 . . . B 324 LYS HA . 25343 1 276 . 2 2 17 17 LYS HB2 H 1 1.602 0.03 . 1 . . . B 324 LYS HB2 . 25343 1 277 . 2 2 17 17 LYS HB3 H 1 1.602 0.03 . 1 . . . B 324 LYS HB3 . 25343 1 278 . 2 2 17 17 LYS HG2 H 1 1.307 0.03 . 1 . . . B 324 LYS HG2 . 25343 1 279 . 2 2 17 17 LYS HG3 H 1 1.307 0.03 . 1 . . . B 324 LYS HG3 . 25343 1 280 . 2 2 17 17 LYS HD2 H 1 1.786 0.03 . 1 . . . B 324 LYS HD2 . 25343 1 281 . 2 2 17 17 LYS HD3 H 1 1.786 0.03 . 1 . . . B 324 LYS HD3 . 25343 1 282 . 2 2 17 17 LYS HE2 H 1 2.879 0.03 . 1 . . . B 324 LYS HE2 . 25343 1 283 . 2 2 17 17 LYS HE3 H 1 2.879 0.03 . 1 . . . B 324 LYS HE3 . 25343 1 284 . 2 2 17 17 LYS N N 15 119.380 0.25 . 1 . . . B 324 LYS N . 25343 1 285 . 2 2 18 18 LEU H H 1 8.392 0.03 . 1 . . . B 325 LEU H . 25343 1 286 . 2 2 18 18 LEU HA H 1 4.858 0.03 . 1 . . . B 325 LEU HA . 25343 1 287 . 2 2 18 18 LEU HB2 H 1 1.570 0.03 . 1 . . . B 325 LEU HB2 . 25343 1 288 . 2 2 18 18 LEU HB3 H 1 1.570 0.03 . 1 . . . B 325 LEU HB3 . 25343 1 289 . 2 2 18 18 LEU HD11 H 1 0.732 0.03 . 1 . . . B 325 LEU HD11 . 25343 1 290 . 2 2 18 18 LEU HD12 H 1 0.732 0.03 . 1 . . . B 325 LEU HD12 . 25343 1 291 . 2 2 18 18 LEU HD13 H 1 0.732 0.03 . 1 . . . B 325 LEU HD13 . 25343 1 292 . 2 2 18 18 LEU HD21 H 1 0.636 0.03 . 1 . . . B 325 LEU HD21 . 25343 1 293 . 2 2 18 18 LEU HD22 H 1 0.636 0.03 . 1 . . . B 325 LEU HD22 . 25343 1 294 . 2 2 18 18 LEU HD23 H 1 0.636 0.03 . 1 . . . B 325 LEU HD23 . 25343 1 295 . 2 2 18 18 LEU N N 15 124.200 0.25 . 1 . . . B 325 LEU N . 25343 1 296 . 2 2 19 19 VAL H H 1 9.203 0.03 . 1 . . . B 326 VAL H . 25343 1 297 . 2 2 19 19 VAL HA H 1 4.850 0.03 . 1 . . . B 326 VAL HA . 25343 1 298 . 2 2 19 19 VAL HB H 1 2.025 0.03 . 1 . . . B 326 VAL HB . 25343 1 299 . 2 2 19 19 VAL HG11 H 1 0.900 0.03 . 1 . . . B 326 VAL HG11 . 25343 1 300 . 2 2 19 19 VAL HG12 H 1 0.900 0.03 . 1 . . . B 326 VAL HG12 . 25343 1 301 . 2 2 19 19 VAL HG13 H 1 0.900 0.03 . 1 . . . B 326 VAL HG13 . 25343 1 302 . 2 2 19 19 VAL HG21 H 1 0.900 0.03 . 1 . . . B 326 VAL HG21 . 25343 1 303 . 2 2 19 19 VAL HG22 H 1 0.900 0.03 . 1 . . . B 326 VAL HG22 . 25343 1 304 . 2 2 19 19 VAL HG23 H 1 0.900 0.03 . 1 . . . B 326 VAL HG23 . 25343 1 305 . 2 2 19 19 VAL N N 15 122.170 0.25 . 1 . . . B 326 VAL N . 25343 1 306 . 2 2 20 20 PRO HA H 1 4.978 0.03 . 1 . . . B 327 PRO HA . 25343 1 307 . 2 2 20 20 PRO HB2 H 1 2.105 0.03 . 1 . . . B 327 PRO HB2 . 25343 1 308 . 2 2 21 21 ARG H H 1 9.116 0.03 . 1 . . . B 328 ARG H . 25343 1 309 . 2 2 21 21 ARG HA H 1 4.323 0.03 . 1 . . . B 328 ARG HA . 25343 1 310 . 2 2 21 21 ARG HB2 H 1 1.762 0.03 . 1 . . . B 328 ARG HB2 . 25343 1 311 . 2 2 21 21 ARG HB3 H 1 1.762 0.03 . 1 . . . B 328 ARG HB3 . 25343 1 312 . 2 2 21 21 ARG HG2 H 1 1.801 0.03 . 1 . . . B 328 ARG HG2 . 25343 1 313 . 2 2 21 21 ARG HG3 H 1 1.634 0.03 . 1 . . . B 328 ARG HG3 . 25343 1 314 . 2 2 21 21 ARG N N 15 122.640 0.25 . 1 . . . B 328 ARG N . 25343 1 315 . 2 2 22 22 LEU H H 1 8.218 0.03 . 1 . . . B 329 LEU H . 25343 1 316 . 2 2 22 22 LEU HA H 1 4.906 0.03 . 1 . . . B 329 LEU HA . 25343 1 317 . 2 2 22 22 LEU HD11 H 1 0.413 0.03 . 1 . . . B 329 LEU HD11 . 25343 1 318 . 2 2 22 22 LEU HD12 H 1 0.413 0.03 . 1 . . . B 329 LEU HD12 . 25343 1 319 . 2 2 22 22 LEU HD13 H 1 0.413 0.03 . 1 . . . B 329 LEU HD13 . 25343 1 320 . 2 2 22 22 LEU HD21 H 1 0.684 0.03 . 1 . . . B 329 LEU HD21 . 25343 1 321 . 2 2 22 22 LEU HD22 H 1 0.684 0.03 . 1 . . . B 329 LEU HD22 . 25343 1 322 . 2 2 22 22 LEU HD23 H 1 0.684 0.03 . 1 . . . B 329 LEU HD23 . 25343 1 323 . 2 2 22 22 LEU N N 15 123.510 0.25 . 1 . . . B 329 LEU N . 25343 1 324 . 2 2 23 23 LEU H H 1 9.676 0.03 . 1 . . . B 330 LEU H . 25343 1 325 . 2 2 23 23 LEU HA H 1 5.369 0.03 . 1 . . . B 330 LEU HA . 25343 1 326 . 2 2 23 23 LEU HB2 H 1 1.355 0.03 . 1 . . . B 330 LEU HB2 . 25343 1 327 . 2 2 23 23 LEU HB3 H 1 2.129 0.03 . 1 . . . B 330 LEU HB3 . 25343 1 328 . 2 2 23 23 LEU HG H 1 1.099 0.03 . 1 . . . B 330 LEU HG . 25343 1 329 . 2 2 23 23 LEU HD11 H 1 0.828 0.03 . 1 . . . B 330 LEU HD11 . 25343 1 330 . 2 2 23 23 LEU HD12 H 1 0.828 0.03 . 1 . . . B 330 LEU HD12 . 25343 1 331 . 2 2 23 23 LEU HD13 H 1 0.828 0.03 . 1 . . . B 330 LEU HD13 . 25343 1 332 . 2 2 23 23 LEU HD21 H 1 0.828 0.03 . 1 . . . B 330 LEU HD21 . 25343 1 333 . 2 2 23 23 LEU HD22 H 1 0.828 0.03 . 1 . . . B 330 LEU HD22 . 25343 1 334 . 2 2 23 23 LEU HD23 H 1 0.828 0.03 . 1 . . . B 330 LEU HD23 . 25343 1 335 . 2 2 23 23 LEU N N 15 127.920 0.25 . 1 . . . B 330 LEU N . 25343 1 336 . 2 2 24 24 GLY H H 1 9.661 0.03 . 1 . . . B 331 GLY H . 25343 1 337 . 2 2 24 24 GLY N N 15 114.270 0.25 . 1 . . . B 331 GLY N . 25343 1 338 . 2 2 25 25 ILE H H 1 8.636 0.03 . 1 . . . B 332 ILE H . 25343 1 339 . 2 2 25 25 ILE HA H 1 5.009 0.03 . 1 . . . B 332 ILE HA . 25343 1 340 . 2 2 25 25 ILE HB H 1 1.817 0.03 . 1 . . . B 332 ILE HB . 25343 1 341 . 2 2 25 25 ILE HG12 H 1 1.331 0.03 . 1 . . . B 332 ILE HG12 . 25343 1 342 . 2 2 25 25 ILE HG13 H 1 1.331 0.03 . 1 . . . B 332 ILE HG13 . 25343 1 343 . 2 2 25 25 ILE HG21 H 1 0.884 0.03 . 1 . . . B 332 ILE HG21 . 25343 1 344 . 2 2 25 25 ILE HG22 H 1 0.884 0.03 . 1 . . . B 332 ILE HG22 . 25343 1 345 . 2 2 25 25 ILE HG23 H 1 0.884 0.03 . 1 . . . B 332 ILE HG23 . 25343 1 346 . 2 2 25 25 ILE HD11 H 1 0.692 0.03 . 1 . . . B 332 ILE HD11 . 25343 1 347 . 2 2 25 25 ILE HD12 H 1 0.692 0.03 . 1 . . . B 332 ILE HD12 . 25343 1 348 . 2 2 25 25 ILE HD13 H 1 0.692 0.03 . 1 . . . B 332 ILE HD13 . 25343 1 349 . 2 2 25 25 ILE N N 15 123.490 0.25 . 1 . . . B 332 ILE N . 25343 1 350 . 2 2 26 26 THR H H 1 8.963 0.03 . 1 . . . B 333 THR H . 25343 1 351 . 2 2 26 26 THR HA H 1 4.780 0.03 . 1 . . . B 333 THR HA . 25343 1 352 . 2 2 26 26 THR HB H 1 4.602 0.03 . 1 . . . B 333 THR HB . 25343 1 353 . 2 2 26 26 THR HG21 H 1 1.051 0.03 . 1 . . . B 333 THR HG21 . 25343 1 354 . 2 2 26 26 THR HG22 H 1 1.051 0.03 . 1 . . . B 333 THR HG22 . 25343 1 355 . 2 2 26 26 THR HG23 H 1 1.051 0.03 . 1 . . . B 333 THR HG23 . 25343 1 356 . 2 2 26 26 THR N N 15 121.650 0.25 . 1 . . . B 333 THR N . 25343 1 357 . 2 2 27 27 LYS H H 1 7.514 0.03 . 1 . . . B 334 LYS H . 25343 1 358 . 2 2 27 27 LYS HA H 1 4.395 0.03 . 1 . . . B 334 LYS HA . 25343 1 359 . 2 2 27 27 LYS HB2 H 1 1.394 0.03 . 1 . . . B 334 LYS HB2 . 25343 1 360 . 2 2 27 27 LYS HB3 H 1 1.394 0.03 . 1 . . . B 334 LYS HB3 . 25343 1 361 . 2 2 27 27 LYS HE2 H 1 2.767 0.03 . 1 . . . B 334 LYS HE2 . 25343 1 362 . 2 2 27 27 LYS HE3 H 1 2.767 0.03 . 1 . . . B 334 LYS HE3 . 25343 1 363 . 2 2 27 27 LYS N N 15 112.800 0.25 . 1 . . . B 334 LYS N . 25343 1 364 . 2 2 28 28 GLU H H 1 7.850 0.03 . 1 . . . B 335 GLU H . 25343 1 365 . 2 2 28 28 GLU HA H 1 4.610 0.03 . 1 . . . B 335 GLU HA . 25343 1 366 . 2 2 28 28 GLU HB2 H 1 1.697 0.03 . 1 . . . B 335 GLU HB2 . 25343 1 367 . 2 2 28 28 GLU HB3 H 1 1.697 0.03 . 1 . . . B 335 GLU HB3 . 25343 1 368 . 2 2 28 28 GLU HG2 H 1 1.977 0.03 . 1 . . . B 335 GLU HG2 . 25343 1 369 . 2 2 28 28 GLU HG3 H 1 1.977 0.03 . 1 . . . B 335 GLU HG3 . 25343 1 370 . 2 2 28 28 GLU N N 15 111.860 0.25 . 1 . . . B 335 GLU N . 25343 1 371 . 2 2 29 29 CYS H H 1 7.983 0.03 . 1 . . . B 336 CYS H . 25343 1 372 . 2 2 29 29 CYS HA H 1 5.337 0.03 . 1 . . . B 336 CYS HA . 25343 1 373 . 2 2 29 29 CYS HB2 H 1 2.807 0.03 . 1 . . . B 336 CYS HB2 . 25343 1 374 . 2 2 29 29 CYS HB3 H 1 2.671 0.03 . 1 . . . B 336 CYS HB3 . 25343 1 375 . 2 2 29 29 CYS N N 15 119.090 0.25 . 1 . . . B 336 CYS N . 25343 1 376 . 2 2 30 30 VAL H H 1 8.672 0.03 . 1 . . . B 337 VAL H . 25343 1 377 . 2 2 30 30 VAL HA H 1 5.001 0.03 . 1 . . . B 337 VAL HA . 25343 1 378 . 2 2 30 30 VAL HB H 1 2.041 0.03 . 1 . . . B 337 VAL HB . 25343 1 379 . 2 2 30 30 VAL HG11 H 1 1.011 0.03 . 1 . . . B 337 VAL HG11 . 25343 1 380 . 2 2 30 30 VAL HG12 H 1 1.011 0.03 . 1 . . . B 337 VAL HG12 . 25343 1 381 . 2 2 30 30 VAL HG13 H 1 1.011 0.03 . 1 . . . B 337 VAL HG13 . 25343 1 382 . 2 2 30 30 VAL HG21 H 1 0.740 0.03 . 1 . . . B 337 VAL HG21 . 25343 1 383 . 2 2 30 30 VAL HG22 H 1 0.740 0.03 . 1 . . . B 337 VAL HG22 . 25343 1 384 . 2 2 30 30 VAL HG23 H 1 0.740 0.03 . 1 . . . B 337 VAL HG23 . 25343 1 385 . 2 2 30 30 VAL N N 15 118.050 0.25 . 1 . . . B 337 VAL N . 25343 1 386 . 2 2 31 31 MET H H 1 9.695 0.03 . 1 . . . B 338 MET H . 25343 1 387 . 2 2 31 31 MET HA H 1 5.322 0.03 . 1 . . . B 338 MET HA . 25343 1 388 . 2 2 31 31 MET HB2 H 1 1.953 0.03 . 1 . . . B 338 MET HB2 . 25343 1 389 . 2 2 31 31 MET HB3 H 1 1.698 0.03 . 1 . . . B 338 MET HB3 . 25343 1 390 . 2 2 31 31 MET HG2 H 1 2.248 0.03 . 1 . . . B 338 MET HG2 . 25343 1 391 . 2 2 31 31 MET HG3 H 1 2.248 0.03 . 1 . . . B 338 MET HG3 . 25343 1 392 . 2 2 31 31 MET N N 15 122.190 0.25 . 1 . . . B 338 MET N . 25343 1 393 . 2 2 32 32 ARG H H 1 8.625 0.03 . 1 . . . B 339 ARG H . 25343 1 394 . 2 2 32 32 ARG HA H 1 4.874 0.03 . 1 . . . B 339 ARG HA . 25343 1 395 . 2 2 32 32 ARG HB2 H 1 1.522 0.03 . 1 . . . B 339 ARG HB2 . 25343 1 396 . 2 2 32 32 ARG HB3 H 1 1.522 0.03 . 1 . . . B 339 ARG HB3 . 25343 1 397 . 2 2 32 32 ARG HG2 H 1 1.642 0.03 . 1 . . . B 339 ARG HG2 . 25343 1 398 . 2 2 32 32 ARG HG3 H 1 1.642 0.03 . 1 . . . B 339 ARG HG3 . 25343 1 399 . 2 2 32 32 ARG N N 15 121.800 0.25 . 1 . . . B 339 ARG N . 25343 1 400 . 2 2 33 33 VAL H H 1 9.405 0.03 . 1 . . . B 340 VAL H . 25343 1 401 . 2 2 33 33 VAL HB H 1 1.929 0.03 . 1 . . . B 340 VAL HB . 25343 1 402 . 2 2 33 33 VAL HG11 H 1 0.684 0.03 . 1 . . . B 340 VAL HG11 . 25343 1 403 . 2 2 33 33 VAL HG12 H 1 0.684 0.03 . 1 . . . B 340 VAL HG12 . 25343 1 404 . 2 2 33 33 VAL HG13 H 1 0.684 0.03 . 1 . . . B 340 VAL HG13 . 25343 1 405 . 2 2 33 33 VAL HG21 H 1 0.852 0.03 . 1 . . . B 340 VAL HG21 . 25343 1 406 . 2 2 33 33 VAL HG22 H 1 0.852 0.03 . 1 . . . B 340 VAL HG22 . 25343 1 407 . 2 2 33 33 VAL HG23 H 1 0.852 0.03 . 1 . . . B 340 VAL HG23 . 25343 1 408 . 2 2 33 33 VAL N N 15 126.160 0.25 . 1 . . . B 340 VAL N . 25343 1 409 . 2 2 34 34 ASP H H 1 8.602 0.03 . 1 . . . B 341 ASP H . 25343 1 410 . 2 2 34 34 ASP HA H 1 4.379 0.03 . 1 . . . B 341 ASP HA . 25343 1 411 . 2 2 34 34 ASP HB2 H 1 2.344 0.03 . 1 . . . B 341 ASP HB2 . 25343 1 412 . 2 2 34 34 ASP HB3 H 1 3.022 0.03 . 1 . . . B 341 ASP HB3 . 25343 1 413 . 2 2 34 34 ASP N N 15 128.290 0.25 . 1 . . . B 341 ASP N . 25343 1 414 . 2 2 35 35 GLU H H 1 9.343 0.03 . 1 . . . B 342 GLU H . 25343 1 415 . 2 2 35 35 GLU HA H 1 3.717 0.03 . 1 . . . B 342 GLU HA . 25343 1 416 . 2 2 35 35 GLU HB2 H 1 1.801 0.03 . 1 . . . B 342 GLU HB2 . 25343 1 417 . 2 2 35 35 GLU HB3 H 1 1.801 0.03 . 1 . . . B 342 GLU HB3 . 25343 1 418 . 2 2 35 35 GLU HG2 H 1 2.057 0.03 . 1 . . . B 342 GLU HG2 . 25343 1 419 . 2 2 35 35 GLU HG3 H 1 1.929 0.03 . 1 . . . B 342 GLU HG3 . 25343 1 420 . 2 2 35 35 GLU N N 15 128.450 0.25 . 1 . . . B 342 GLU N . 25343 1 421 . 2 2 36 36 LYS H H 1 8.664 0.03 . 1 . . . B 343 LYS H . 25343 1 422 . 2 2 36 36 LYS HA H 1 4.323 0.03 . 1 . . . B 343 LYS HA . 25343 1 423 . 2 2 36 36 LYS HB2 H 1 1.890 0.03 . 1 . . . B 343 LYS HB2 . 25343 1 424 . 2 2 36 36 LYS HB3 H 1 1.890 0.03 . 1 . . . B 343 LYS HB3 . 25343 1 425 . 2 2 36 36 LYS HG2 H 1 1.250 0.03 . 1 . . . B 343 LYS HG2 . 25343 1 426 . 2 2 36 36 LYS HG3 H 1 1.410 0.03 . 1 . . . B 343 LYS HG3 . 25343 1 427 . 2 2 36 36 LYS HD2 H 1 1.610 0.03 . 1 . . . B 343 LYS HD2 . 25343 1 428 . 2 2 36 36 LYS HD3 H 1 1.610 0.03 . 1 . . . B 343 LYS HD3 . 25343 1 429 . 2 2 36 36 LYS N N 15 119.400 0.25 . 1 . . . B 343 LYS N . 25343 1 430 . 2 2 37 37 THR H H 1 8.658 0.03 . 1 . . . B 344 THR H . 25343 1 431 . 2 2 37 37 THR HA H 1 4.068 0.03 . 1 . . . B 344 THR HA . 25343 1 432 . 2 2 37 37 THR HB H 1 4.355 0.03 . 1 . . . B 344 THR HB . 25343 1 433 . 2 2 37 37 THR HG21 H 1 1.131 0.03 . 1 . . . B 344 THR HG21 . 25343 1 434 . 2 2 37 37 THR HG22 H 1 1.131 0.03 . 1 . . . B 344 THR HG22 . 25343 1 435 . 2 2 37 37 THR HG23 H 1 1.131 0.03 . 1 . . . B 344 THR HG23 . 25343 1 436 . 2 2 37 37 THR N N 15 109.700 0.25 . 1 . . . B 344 THR N . 25343 1 437 . 2 2 38 38 LYS H H 1 7.711 0.03 . 1 . . . B 345 LYS H . 25343 1 438 . 2 2 38 38 LYS HA H 1 3.733 0.03 . 1 . . . B 345 LYS HA . 25343 1 439 . 2 2 38 38 LYS HB2 H 1 1.929 0.03 . 1 . . . B 345 LYS HB2 . 25343 1 440 . 2 2 38 38 LYS HB3 H 1 1.929 0.03 . 1 . . . B 345 LYS HB3 . 25343 1 441 . 2 2 38 38 LYS N N 15 117.000 0.25 . 1 . . . B 345 LYS N . 25343 1 442 . 2 2 39 39 GLU H H 1 7.383 0.03 . 1 . . . B 346 GLU H . 25343 1 443 . 2 2 39 39 GLU HA H 1 4.068 0.03 . 1 . . . B 346 GLU HA . 25343 1 444 . 2 2 39 39 GLU HB2 H 1 1.730 0.03 . 1 . . . B 346 GLU HB2 . 25343 1 445 . 2 2 39 39 GLU HB3 H 1 1.650 0.03 . 1 . . . B 346 GLU HB3 . 25343 1 446 . 2 2 39 39 GLU HG2 H 1 2.097 0.03 . 1 . . . B 346 GLU HG2 . 25343 1 447 . 2 2 39 39 GLU HG3 H 1 1.961 0.03 . 1 . . . B 346 GLU HG3 . 25343 1 448 . 2 2 39 39 GLU N N 15 116.230 0.25 . 1 . . . B 346 GLU N . 25343 1 449 . 2 2 40 40 VAL H H 1 8.745 0.03 . 1 . . . B 347 VAL H . 25343 1 450 . 2 2 40 40 VAL HA H 1 3.844 0.03 . 1 . . . B 347 VAL HA . 25343 1 451 . 2 2 40 40 VAL HB H 1 1.937 0.03 . 1 . . . B 347 VAL HB . 25343 1 452 . 2 2 40 40 VAL HG11 H 1 0.684 0.03 . 1 . . . B 347 VAL HG11 . 25343 1 453 . 2 2 40 40 VAL HG12 H 1 0.684 0.03 . 1 . . . B 347 VAL HG12 . 25343 1 454 . 2 2 40 40 VAL HG13 H 1 0.684 0.03 . 1 . . . B 347 VAL HG13 . 25343 1 455 . 2 2 40 40 VAL HG21 H 1 0.876 0.03 . 1 . . . B 347 VAL HG21 . 25343 1 456 . 2 2 40 40 VAL HG22 H 1 0.876 0.03 . 1 . . . B 347 VAL HG22 . 25343 1 457 . 2 2 40 40 VAL HG23 H 1 0.876 0.03 . 1 . . . B 347 VAL HG23 . 25343 1 458 . 2 2 40 40 VAL N N 15 124.260 0.25 . 1 . . . B 347 VAL N . 25343 1 459 . 2 2 41 41 ILE H H 1 8.855 0.03 . 1 . . . B 348 ILE H . 25343 1 460 . 2 2 41 41 ILE HA H 1 3.916 0.03 . 1 . . . B 348 ILE HA . 25343 1 461 . 2 2 41 41 ILE HB H 1 1.331 0.03 . 1 . . . B 348 ILE HB . 25343 1 462 . 2 2 41 41 ILE N N 15 128.200 0.25 . 1 . . . B 348 ILE N . 25343 1 463 . 2 2 42 42 GLN H H 1 7.291 0.03 . 1 . . . B 349 GLN H . 25343 1 464 . 2 2 42 42 GLN HB2 H 1 0.684 0.03 . 1 . . . B 349 GLN HB2 . 25343 1 465 . 2 2 42 42 GLN HB3 H 1 0.892 0.03 . 1 . . . B 349 GLN HB3 . 25343 1 466 . 2 2 42 42 GLN HG2 H 1 1.490 0.03 . 1 . . . B 349 GLN HG2 . 25343 1 467 . 2 2 42 42 GLN HG3 H 1 1.490 0.03 . 1 . . . B 349 GLN HG3 . 25343 1 468 . 2 2 42 42 GLN N N 15 118.280 0.25 . 1 . . . B 349 GLN N . 25343 1 469 . 2 2 43 43 GLU H H 1 8.076 0.03 . 1 . . . B 350 GLU H . 25343 1 470 . 2 2 43 43 GLU HA H 1 4.834 0.03 . 1 . . . B 350 GLU HA . 25343 1 471 . 2 2 43 43 GLU HB2 H 1 1.610 0.03 . 1 . . . B 350 GLU HB2 . 25343 1 472 . 2 2 43 43 GLU HB3 H 1 1.610 0.03 . 1 . . . B 350 GLU HB3 . 25343 1 473 . 2 2 43 43 GLU HG2 H 1 1.817 0.03 . 1 . . . B 350 GLU HG2 . 25343 1 474 . 2 2 43 43 GLU HG3 H 1 1.817 0.03 . 1 . . . B 350 GLU HG3 . 25343 1 475 . 2 2 43 43 GLU N N 15 123.100 0.25 . 1 . . . B 350 GLU N . 25343 1 476 . 2 2 44 44 TRP H H 1 9.254 0.03 . 1 . . . B 351 TRP H . 25343 1 477 . 2 2 44 44 TRP HA H 1 4.786 0.03 . 1 . . . B 351 TRP HA . 25343 1 478 . 2 2 44 44 TRP HB2 H 1 2.815 0.03 . 1 . . . B 351 TRP HB2 . 25343 1 479 . 2 2 44 44 TRP HB3 H 1 2.651 0.03 . 1 . . . B 351 TRP HB3 . 25343 1 480 . 2 2 44 44 TRP HD1 H 1 6.391 0.03 . 1 . . . B 351 TRP HD1 . 25343 1 481 . 2 2 44 44 TRP HE1 H 1 8.973 0.03 . 1 . . . B 351 TRP HE1 . 25343 1 482 . 2 2 44 44 TRP HE3 H 1 7.014 0.03 . 1 . . . B 351 TRP HE3 . 25343 1 483 . 2 2 44 44 TRP HZ2 H 1 6.755 0.03 . 1 . . . B 351 TRP HZ2 . 25343 1 484 . 2 2 44 44 TRP HZ3 H 1 6.586 0.03 . 1 . . . B 351 TRP HZ3 . 25343 1 485 . 2 2 44 44 TRP HH2 H 1 6.523 0.03 . 1 . . . B 351 TRP HH2 . 25343 1 486 . 2 2 44 44 TRP N N 15 122.210 0.25 . 1 . . . B 351 TRP N . 25343 1 487 . 2 2 44 44 TRP NE1 N 15 128.900 0.25 . 1 . . . B 351 TRP NE1 . 25343 1 488 . 2 2 45 45 SER H H 1 8.701 0.03 . 1 . . . B 352 SER H . 25343 1 489 . 2 2 45 45 SER HA H 1 4.602 0.03 . 1 . . . B 352 SER HA . 25343 1 490 . 2 2 45 45 SER HB2 H 1 3.836 0.03 . 1 . . . B 352 SER HB2 . 25343 1 491 . 2 2 45 45 SER HB3 H 1 3.836 0.03 . 1 . . . B 352 SER HB3 . 25343 1 492 . 2 2 45 45 SER N N 15 117.200 0.25 . 1 . . . B 352 SER N . 25343 1 493 . 2 2 46 46 LEU H H 1 8.106 0.03 . 1 . . . B 353 LEU H . 25343 1 494 . 2 2 46 46 LEU HA H 1 3.900 0.03 . 1 . . . B 353 LEU HA . 25343 1 495 . 2 2 46 46 LEU HB2 H 1 1.331 0.03 . 1 . . . B 353 LEU HB2 . 25343 1 496 . 2 2 46 46 LEU HB3 H 1 1.331 0.03 . 1 . . . B 353 LEU HB3 . 25343 1 497 . 2 2 46 46 LEU HD11 H 1 0.740 0.03 . 1 . . . B 353 LEU HD11 . 25343 1 498 . 2 2 46 46 LEU HD12 H 1 0.740 0.03 . 1 . . . B 353 LEU HD12 . 25343 1 499 . 2 2 46 46 LEU HD13 H 1 0.740 0.03 . 1 . . . B 353 LEU HD13 . 25343 1 500 . 2 2 46 46 LEU HD21 H 1 0.740 0.03 . 1 . . . B 353 LEU HD21 . 25343 1 501 . 2 2 46 46 LEU HD22 H 1 0.740 0.03 . 1 . . . B 353 LEU HD22 . 25343 1 502 . 2 2 46 46 LEU HD23 H 1 0.740 0.03 . 1 . . . B 353 LEU HD23 . 25343 1 503 . 2 2 46 46 LEU N N 15 126.580 0.25 . 1 . . . B 353 LEU N . 25343 1 504 . 2 2 47 47 THR H H 1 7.723 0.03 . 1 . . . B 354 THR H . 25343 1 505 . 2 2 47 47 THR HA H 1 3.932 0.03 . 1 . . . B 354 THR HA . 25343 1 506 . 2 2 47 47 THR HB H 1 4.243 0.03 . 1 . . . B 354 THR HB . 25343 1 507 . 2 2 47 47 THR HG21 H 1 1.187 0.03 . 1 . . . B 354 THR HG21 . 25343 1 508 . 2 2 47 47 THR HG22 H 1 1.187 0.03 . 1 . . . B 354 THR HG22 . 25343 1 509 . 2 2 47 47 THR HG23 H 1 1.187 0.03 . 1 . . . B 354 THR HG23 . 25343 1 510 . 2 2 47 47 THR N N 15 105.810 0.25 . 1 . . . B 354 THR N . 25343 1 511 . 2 2 48 48 ASN H H 1 7.641 0.03 . 1 . . . B 355 ASN H . 25343 1 512 . 2 2 48 48 ASN HA H 1 4.754 0.03 . 1 . . . B 355 ASN HA . 25343 1 513 . 2 2 48 48 ASN HB2 H 1 2.967 0.03 . 1 . . . B 355 ASN HB2 . 25343 1 514 . 2 2 48 48 ASN HB3 H 1 2.639 0.03 . 1 . . . B 355 ASN HB3 . 25343 1 515 . 2 2 48 48 ASN N N 15 118.030 0.25 . 1 . . . B 355 ASN N . 25343 1 516 . 2 2 49 49 ILE H H 1 7.230 0.03 . 1 . . . B 356 ILE H . 25343 1 517 . 2 2 49 49 ILE HA H 1 3.557 0.03 . 1 . . . B 356 ILE HA . 25343 1 518 . 2 2 49 49 ILE HB H 1 1.865 0.03 . 1 . . . B 356 ILE HB . 25343 1 519 . 2 2 49 49 ILE HG12 H 1 1.626 0.03 . 1 . . . B 356 ILE HG12 . 25343 1 520 . 2 2 49 49 ILE HG13 H 1 1.323 0.03 . 1 . . . B 356 ILE HG13 . 25343 1 521 . 2 2 49 49 ILE HG21 H 1 0.732 0.03 . 1 . . . B 356 ILE HG21 . 25343 1 522 . 2 2 49 49 ILE HG22 H 1 0.732 0.03 . 1 . . . B 356 ILE HG22 . 25343 1 523 . 2 2 49 49 ILE HG23 H 1 0.732 0.03 . 1 . . . B 356 ILE HG23 . 25343 1 524 . 2 2 49 49 ILE HD11 H 1 0.924 0.03 . 1 . . . B 356 ILE HD11 . 25343 1 525 . 2 2 49 49 ILE HD12 H 1 0.924 0.03 . 1 . . . B 356 ILE HD12 . 25343 1 526 . 2 2 49 49 ILE HD13 H 1 0.924 0.03 . 1 . . . B 356 ILE HD13 . 25343 1 527 . 2 2 49 49 ILE N N 15 119.450 0.25 . 1 . . . B 356 ILE N . 25343 1 528 . 2 2 50 50 LYS H H 1 8.894 0.03 . 1 . . . B 357 LYS H . 25343 1 529 . 2 2 50 50 LYS HA H 1 4.267 0.03 . 1 . . . B 357 LYS HA . 25343 1 530 . 2 2 50 50 LYS HB2 H 1 1.490 0.03 . 1 . . . B 357 LYS HB2 . 25343 1 531 . 2 2 50 50 LYS HB3 H 1 1.490 0.03 . 1 . . . B 357 LYS HB3 . 25343 1 532 . 2 2 50 50 LYS N N 15 127.890 0.25 . 1 . . . B 357 LYS N . 25343 1 533 . 2 2 51 51 ARG H H 1 7.798 0.03 . 1 . . . B 358 ARG H . 25343 1 534 . 2 2 51 51 ARG HA H 1 4.100 0.03 . 1 . . . B 358 ARG HA . 25343 1 535 . 2 2 51 51 ARG HB2 H 1 1.618 0.03 . 1 . . . B 358 ARG HB2 . 25343 1 536 . 2 2 51 51 ARG HB3 H 1 1.410 0.03 . 1 . . . B 358 ARG HB3 . 25343 1 537 . 2 2 51 51 ARG HG2 H 1 1.155 0.03 . 1 . . . B 358 ARG HG2 . 25343 1 538 . 2 2 51 51 ARG HG3 H 1 1.155 0.03 . 1 . . . B 358 ARG HG3 . 25343 1 539 . 2 2 51 51 ARG HD2 H 1 2.855 0.03 . 1 . . . B 358 ARG HD2 . 25343 1 540 . 2 2 51 51 ARG HD3 H 1 2.496 0.03 . 1 . . . B 358 ARG HD3 . 25343 1 541 . 2 2 51 51 ARG N N 15 114.690 0.25 . 1 . . . B 358 ARG N . 25343 1 542 . 2 2 52 52 TRP H H 1 7.266 0.03 . 1 . . . B 359 TRP H . 25343 1 543 . 2 2 52 52 TRP HA H 1 5.073 0.03 . 1 . . . B 359 TRP HA . 25343 1 544 . 2 2 52 52 TRP HB2 H 1 2.863 0.03 . 1 . . . B 359 TRP HB2 . 25343 1 545 . 2 2 52 52 TRP HB3 H 1 3.078 0.03 . 1 . . . B 359 TRP HB3 . 25343 1 546 . 2 2 52 52 TRP HD1 H 1 6.697 0.03 . 1 . . . B 359 TRP HD1 . 25343 1 547 . 2 2 52 52 TRP HE1 H 1 10.170 0.03 . 1 . . . B 359 TRP HE1 . 25343 1 548 . 2 2 52 52 TRP HE3 H 1 6.903 0.03 . 1 . . . B 359 TRP HE3 . 25343 1 549 . 2 2 52 52 TRP HZ2 H 1 7.294 0.03 . 1 . . . B 359 TRP HZ2 . 25343 1 550 . 2 2 52 52 TRP HZ3 H 1 6.787 0.03 . 1 . . . B 359 TRP HZ3 . 25343 1 551 . 2 2 52 52 TRP HH2 H 1 7.040 0.03 . 1 . . . B 359 TRP HH2 . 25343 1 552 . 2 2 52 52 TRP N N 15 117.630 0.25 . 1 . . . B 359 TRP N . 25343 1 553 . 2 2 52 52 TRP NE1 N 15 129.400 0.25 . 1 . . . B 359 TRP NE1 . 25343 1 554 . 2 2 53 53 ALA H H 1 8.264 0.03 . 1 . . . B 360 ALA H . 25343 1 555 . 2 2 53 53 ALA HA H 1 4.355 0.03 . 1 . . . B 360 ALA HA . 25343 1 556 . 2 2 53 53 ALA HB1 H 1 0.988 0.03 . 1 . . . B 360 ALA HB1 . 25343 1 557 . 2 2 53 53 ALA HB2 H 1 0.988 0.03 . 1 . . . B 360 ALA HB2 . 25343 1 558 . 2 2 53 53 ALA HB3 H 1 0.988 0.03 . 1 . . . B 360 ALA HB3 . 25343 1 559 . 2 2 53 53 ALA N N 15 120.240 0.25 . 1 . . . B 360 ALA N . 25343 1 560 . 2 2 54 54 ALA H H 1 8.921 0.03 . 1 . . . B 361 ALA H . 25343 1 561 . 2 2 54 54 ALA HA H 1 5.057 0.03 . 1 . . . B 361 ALA HA . 25343 1 562 . 2 2 54 54 ALA HB1 H 1 1.339 0.03 . 1 . . . B 361 ALA HB1 . 25343 1 563 . 2 2 54 54 ALA HB2 H 1 1.339 0.03 . 1 . . . B 361 ALA HB2 . 25343 1 564 . 2 2 54 54 ALA HB3 H 1 1.339 0.03 . 1 . . . B 361 ALA HB3 . 25343 1 565 . 2 2 54 54 ALA N N 15 124.560 0.25 . 1 . . . B 361 ALA N . 25343 1 566 . 2 2 55 55 SER H H 1 8.842 0.03 . 1 . . . B 362 SER H . 25343 1 567 . 2 2 55 55 SER HA H 1 4.962 0.03 . 1 . . . B 362 SER HA . 25343 1 568 . 2 2 55 55 SER HB2 H 1 3.844 0.03 . 1 . . . B 362 SER HB2 . 25343 1 569 . 2 2 55 55 SER HB3 H 1 4.228 0.03 . 1 . . . B 362 SER HB3 . 25343 1 570 . 2 2 55 55 SER N N 15 120.460 0.25 . 1 . . . B 362 SER N . 25343 1 571 . 2 2 56 56 PRO HA H 1 4.443 0.03 . 1 . . . B 363 PRO HA . 25343 1 572 . 2 2 56 56 PRO HB2 H 1 1.746 0.03 . 1 . . . B 363 PRO HB2 . 25343 1 573 . 2 2 56 56 PRO HB3 H 1 1.746 0.03 . 1 . . . B 363 PRO HB3 . 25343 1 574 . 2 2 56 56 PRO HD2 H 1 3.605 0.03 . 1 . . . B 363 PRO HD2 . 25343 1 575 . 2 2 56 56 PRO HD3 H 1 3.605 0.03 . 1 . . . B 363 PRO HD3 . 25343 1 576 . 2 2 57 57 LYS H H 1 7.669 0.03 . 1 . . . B 364 LYS H . 25343 1 577 . 2 2 57 57 LYS HB2 H 1 1.881 0.03 . 1 . . . B 364 LYS HB2 . 25343 1 578 . 2 2 57 57 LYS HB3 H 1 1.881 0.03 . 1 . . . B 364 LYS HB3 . 25343 1 579 . 2 2 57 57 LYS HG2 H 1 1.211 0.03 . 1 . . . B 364 LYS HG2 . 25343 1 580 . 2 2 57 57 LYS HG3 H 1 1.211 0.03 . 1 . . . B 364 LYS HG3 . 25343 1 581 . 2 2 57 57 LYS HD2 H 1 1.530 0.03 . 1 . . . B 364 LYS HD2 . 25343 1 582 . 2 2 57 57 LYS HD3 H 1 1.530 0.03 . 1 . . . B 364 LYS HD3 . 25343 1 583 . 2 2 57 57 LYS N N 15 111.080 0.25 . 1 . . . B 364 LYS N . 25343 1 584 . 2 2 58 58 SER H H 1 7.662 0.03 . 1 . . . B 365 SER H . 25343 1 585 . 2 2 58 58 SER HA H 1 5.480 0.03 . 1 . . . B 365 SER HA . 25343 1 586 . 2 2 58 58 SER HB2 H 1 3.637 0.03 . 1 . . . B 365 SER HB2 . 25343 1 587 . 2 2 58 58 SER HB3 H 1 3.637 0.03 . 1 . . . B 365 SER HB3 . 25343 1 588 . 2 2 58 58 SER N N 15 114.900 0.25 . 1 . . . B 365 SER N . 25343 1 589 . 2 2 59 59 PHE H H 1 8.537 0.03 . 1 . . . B 366 PHE H . 25343 1 590 . 2 2 59 59 PHE HA H 1 4.970 0.03 . 1 . . . B 366 PHE HA . 25343 1 591 . 2 2 59 59 PHE HD1 H 1 6.861 0.03 . 3 . . . B 366 PHE HD1 . 25343 1 592 . 2 2 59 59 PHE HD2 H 1 6.861 0.03 . 3 . . . B 366 PHE HD2 . 25343 1 593 . 2 2 59 59 PHE N N 15 119.360 0.25 . 1 . . . B 366 PHE N . 25343 1 594 . 2 2 60 60 THR H H 1 7.869 0.03 . 1 . . . B 367 THR H . 25343 1 595 . 2 2 60 60 THR HG21 H 1 0.980 0.03 . 1 . . . B 367 THR HG21 . 25343 1 596 . 2 2 60 60 THR HG22 H 1 0.980 0.03 . 1 . . . B 367 THR HG22 . 25343 1 597 . 2 2 60 60 THR HG23 H 1 0.980 0.03 . 1 . . . B 367 THR HG23 . 25343 1 598 . 2 2 60 60 THR N N 15 122.790 0.25 . 1 . . . B 367 THR N . 25343 1 599 . 2 2 61 61 LEU H H 1 8.904 0.03 . 1 . . . B 368 LEU H . 25343 1 600 . 2 2 61 61 LEU HA H 1 4.235 0.03 . 1 . . . B 368 LEU HA . 25343 1 601 . 2 2 61 61 LEU HB2 H 1 1.394 0.03 . 1 . . . B 368 LEU HB2 . 25343 1 602 . 2 2 61 61 LEU HB3 H 1 1.394 0.03 . 1 . . . B 368 LEU HB3 . 25343 1 603 . 2 2 61 61 LEU HD11 H 1 0.684 0.03 . 1 . . . B 368 LEU HD11 . 25343 1 604 . 2 2 61 61 LEU HD12 H 1 0.684 0.03 . 1 . . . B 368 LEU HD12 . 25343 1 605 . 2 2 61 61 LEU HD13 H 1 0.684 0.03 . 1 . . . B 368 LEU HD13 . 25343 1 606 . 2 2 61 61 LEU HD21 H 1 0.732 0.03 . 1 . . . B 368 LEU HD21 . 25343 1 607 . 2 2 61 61 LEU HD22 H 1 0.732 0.03 . 1 . . . B 368 LEU HD22 . 25343 1 608 . 2 2 61 61 LEU HD23 H 1 0.732 0.03 . 1 . . . B 368 LEU HD23 . 25343 1 609 . 2 2 61 61 LEU N N 15 124.200 0.25 . 1 . . . B 368 LEU N . 25343 1 610 . 2 2 62 62 ASP H H 1 7.824 0.03 . 1 . . . B 369 ASP H . 25343 1 611 . 2 2 62 62 ASP HA H 1 4.954 0.03 . 1 . . . B 369 ASP HA . 25343 1 612 . 2 2 62 62 ASP HB2 H 1 2.743 0.03 . 1 . . . B 369 ASP HB2 . 25343 1 613 . 2 2 62 62 ASP HB3 H 1 2.879 0.03 . 1 . . . B 369 ASP HB3 . 25343 1 614 . 2 2 62 62 ASP N N 15 120.040 0.25 . 1 . . . B 369 ASP N . 25343 1 615 . 2 2 63 63 PHE H H 1 8.921 0.03 . 1 . . . B 370 PHE H . 25343 1 616 . 2 2 63 63 PHE HB2 H 1 2.863 0.03 . 1 . . . B 370 PHE HB2 . 25343 1 617 . 2 2 63 63 PHE HB3 H 1 3.358 0.03 . 1 . . . B 370 PHE HB3 . 25343 1 618 . 2 2 63 63 PHE N N 15 124.450 0.25 . 1 . . . B 370 PHE N . 25343 1 619 . 2 2 64 64 GLY H H 1 8.941 0.03 . 1 . . . B 371 GLY H . 25343 1 620 . 2 2 64 64 GLY HA2 H 1 3.932 0.03 . 1 . . . B 371 GLY HA2 . 25343 1 621 . 2 2 64 64 GLY HA3 H 1 3.693 0.03 . 1 . . . B 371 GLY HA3 . 25343 1 622 . 2 2 64 64 GLY N N 15 110.400 0.25 . 1 . . . B 371 GLY N . 25343 1 623 . 2 2 65 65 ASP H H 1 8.378 0.03 . 1 . . . B 372 ASP H . 25343 1 624 . 2 2 65 65 ASP HA H 1 4.483 0.03 . 1 . . . B 372 ASP HA . 25343 1 625 . 2 2 65 65 ASP HB2 H 1 2.440 0.03 . 1 . . . B 372 ASP HB2 . 25343 1 626 . 2 2 65 65 ASP HB3 H 1 2.599 0.03 . 1 . . . B 372 ASP HB3 . 25343 1 627 . 2 2 65 65 ASP N N 15 121.810 0.25 . 1 . . . B 372 ASP N . 25343 1 628 . 2 2 66 66 TYR H H 1 8.016 0.03 . 1 . . . B 373 TYR H . 25343 1 629 . 2 2 66 66 TYR HA H 1 4.323 0.03 . 1 . . . B 373 TYR HA . 25343 1 630 . 2 2 66 66 TYR HB2 H 1 3.054 0.03 . 1 . . . B 373 TYR HB2 . 25343 1 631 . 2 2 66 66 TYR HB3 H 1 3.054 0.03 . 1 . . . B 373 TYR HB3 . 25343 1 632 . 2 2 66 66 TYR HD1 H 1 7.061 0.03 . 3 . . . B 373 TYR HD1 . 25343 1 633 . 2 2 66 66 TYR HD2 H 1 7.061 0.03 . 3 . . . B 373 TYR HD2 . 25343 1 634 . 2 2 66 66 TYR HE1 H 1 6.734 0.03 . 3 . . . B 373 TYR HE1 . 25343 1 635 . 2 2 66 66 TYR HE2 H 1 6.734 0.03 . 3 . . . B 373 TYR HE2 . 25343 1 636 . 2 2 66 66 TYR N N 15 120.250 0.25 . 1 . . . B 373 TYR N . 25343 1 637 . 2 2 67 67 GLN H H 1 8.027 0.03 . 1 . . . B 374 GLN H . 25343 1 638 . 2 2 67 67 GLN HA H 1 4.084 0.03 . 1 . . . B 374 GLN HA . 25343 1 639 . 2 2 67 67 GLN HB2 H 1 1.905 0.03 . 1 . . . B 374 GLN HB2 . 25343 1 640 . 2 2 67 67 GLN HB3 H 1 1.905 0.03 . 1 . . . B 374 GLN HB3 . 25343 1 641 . 2 2 67 67 GLN HG2 H 1 2.089 0.03 . 1 . . . B 374 GLN HG2 . 25343 1 642 . 2 2 67 67 GLN HG3 H 1 2.089 0.03 . 1 . . . B 374 GLN HG3 . 25343 1 643 . 2 2 67 67 GLN N N 15 118.770 0.25 . 1 . . . B 374 GLN N . 25343 1 644 . 2 2 68 68 ASP H H 1 8.223 0.03 . 1 . . . B 375 ASP H . 25343 1 645 . 2 2 68 68 ASP HA H 1 4.555 0.03 . 1 . . . B 375 ASP HA . 25343 1 646 . 2 2 68 68 ASP HB2 H 1 2.537 0.03 . 1 . . . B 375 ASP HB2 . 25343 1 647 . 2 2 68 68 ASP HB3 H 1 2.697 0.03 . 1 . . . B 375 ASP HB3 . 25343 1 648 . 2 2 68 68 ASP N N 15 119.630 0.25 . 1 . . . B 375 ASP N . 25343 1 649 . 2 2 69 69 GLY H H 1 8.012 0.03 . 1 . . . B 376 GLY H . 25343 1 650 . 2 2 69 69 GLY HA2 H 1 3.836 0.03 . 1 . . . B 376 GLY HA2 . 25343 1 651 . 2 2 69 69 GLY HA3 H 1 3.725 0.03 . 1 . . . B 376 GLY HA3 . 25343 1 652 . 2 2 69 69 GLY N N 15 109.560 0.25 . 1 . . . B 376 GLY N . 25343 1 653 . 2 2 70 70 TYR H H 1 7.822 0.03 . 1 . . . B 377 TYR H . 25343 1 654 . 2 2 70 70 TYR HB2 H 1 2.871 0.03 . 1 . . . B 377 TYR HB2 . 25343 1 655 . 2 2 70 70 TYR HB3 H 1 2.743 0.03 . 1 . . . B 377 TYR HB3 . 25343 1 656 . 2 2 70 70 TYR HD1 H 1 6.892 0.03 . 3 . . . B 377 TYR HD1 . 25343 1 657 . 2 2 70 70 TYR HD2 H 1 6.892 0.03 . 3 . . . B 377 TYR HD2 . 25343 1 658 . 2 2 70 70 TYR HE1 H 1 6.602 0.03 . 3 . . . B 377 TYR HE1 . 25343 1 659 . 2 2 70 70 TYR HE2 H 1 6.602 0.03 . 3 . . . B 377 TYR HE2 . 25343 1 660 . 2 2 70 70 TYR N N 15 120.090 0.25 . 1 . . . B 377 TYR N . 25343 1 661 . 2 2 71 71 TYR H H 1 8.636 0.03 . 1 . . . B 378 TYR H . 25343 1 662 . 2 2 71 71 TYR HB2 H 1 2.951 0.03 . 1 . . . B 378 TYR HB2 . 25343 1 663 . 2 2 71 71 TYR HB3 H 1 2.560 0.03 . 1 . . . B 378 TYR HB3 . 25343 1 664 . 2 2 71 71 TYR HD1 H 1 6.993 0.03 . 3 . . . B 378 TYR HD1 . 25343 1 665 . 2 2 71 71 TYR HD2 H 1 6.993 0.03 . 3 . . . B 378 TYR HD2 . 25343 1 666 . 2 2 71 71 TYR HE1 H 1 6.681 0.03 . 3 . . . B 378 TYR HE1 . 25343 1 667 . 2 2 71 71 TYR HE2 H 1 6.681 0.03 . 3 . . . B 378 TYR HE2 . 25343 1 668 . 2 2 71 71 TYR N N 15 125.010 0.25 . 1 . . . B 378 TYR N . 25343 1 669 . 2 2 72 72 SER H H 1 8.205 0.03 . 1 . . . B 379 SER H . 25343 1 670 . 2 2 72 72 SER HA H 1 5.209 0.03 . 1 . . . B 379 SER HA . 25343 1 671 . 2 2 72 72 SER HB2 H 1 3.503 0.03 . 1 . . . B 379 SER HB2 . 25343 1 672 . 2 2 72 72 SER HB3 H 1 3.342 0.03 . 1 . . . B 379 SER HB3 . 25343 1 673 . 2 2 72 72 SER N N 15 121.900 0.25 . 1 . . . B 379 SER N . 25343 1 674 . 2 2 73 73 VAL H H 1 8.759 0.03 . 1 . . . B 380 VAL H . 25343 1 675 . 2 2 73 73 VAL HA H 1 4.978 0.03 . 1 . . . B 380 VAL HA . 25343 1 676 . 2 2 73 73 VAL HB H 1 1.881 0.03 . 1 . . . B 380 VAL HB . 25343 1 677 . 2 2 73 73 VAL HG11 H 1 0.764 0.03 . 1 . . . B 380 VAL HG11 . 25343 1 678 . 2 2 73 73 VAL HG12 H 1 0.764 0.03 . 1 . . . B 380 VAL HG12 . 25343 1 679 . 2 2 73 73 VAL HG13 H 1 0.764 0.03 . 1 . . . B 380 VAL HG13 . 25343 1 680 . 2 2 73 73 VAL HG21 H 1 0.588 0.03 . 1 . . . B 380 VAL HG21 . 25343 1 681 . 2 2 73 73 VAL HG22 H 1 0.588 0.03 . 1 . . . B 380 VAL HG22 . 25343 1 682 . 2 2 73 73 VAL HG23 H 1 0.588 0.03 . 1 . . . B 380 VAL HG23 . 25343 1 683 . 2 2 73 73 VAL N N 15 116.950 0.25 . 1 . . . B 380 VAL N . 25343 1 684 . 2 2 74 74 GLN H H 1 9.046 0.03 . 1 . . . B 381 GLN H . 25343 1 685 . 2 2 74 74 GLN HA H 1 4.778 0.03 . 1 . . . B 381 GLN HA . 25343 1 686 . 2 2 74 74 GLN HB2 H 1 1.849 0.03 . 1 . . . B 381 GLN HB2 . 25343 1 687 . 2 2 74 74 GLN HB3 H 1 2.089 0.03 . 1 . . . B 381 GLN HB3 . 25343 1 688 . 2 2 74 74 GLN HG2 H 1 2.352 0.03 . 1 . . . B 381 GLN HG2 . 25343 1 689 . 2 2 74 74 GLN HG3 H 1 2.161 0.03 . 1 . . . B 381 GLN HG3 . 25343 1 690 . 2 2 74 74 GLN N N 15 120.840 0.25 . 1 . . . B 381 GLN N . 25343 1 691 . 2 2 75 75 THR H H 1 7.731 0.03 . 1 . . . B 382 THR H . 25343 1 692 . 2 2 75 75 THR HG21 H 1 0.748 0.03 . 1 . . . B 382 THR HG21 . 25343 1 693 . 2 2 75 75 THR HG22 H 1 0.748 0.03 . 1 . . . B 382 THR HG22 . 25343 1 694 . 2 2 75 75 THR HG23 H 1 0.748 0.03 . 1 . . . B 382 THR HG23 . 25343 1 695 . 2 2 75 75 THR N N 15 120.570 0.25 . 1 . . . B 382 THR N . 25343 1 696 . 2 2 76 76 THR H H 1 8.672 0.03 . 1 . . . B 383 THR H . 25343 1 697 . 2 2 76 76 THR HG21 H 1 1.219 0.03 . 1 . . . B 383 THR HG21 . 25343 1 698 . 2 2 76 76 THR HG22 H 1 1.219 0.03 . 1 . . . B 383 THR HG22 . 25343 1 699 . 2 2 76 76 THR HG23 H 1 1.219 0.03 . 1 . . . B 383 THR HG23 . 25343 1 700 . 2 2 76 76 THR N N 15 118.170 0.25 . 1 . . . B 383 THR N . 25343 1 701 . 2 2 77 77 GLU H H 1 9.073 0.03 . 1 . . . B 384 GLU H . 25343 1 702 . 2 2 77 77 GLU HB2 H 1 2.033 0.03 . 1 . . . B 384 GLU HB2 . 25343 1 703 . 2 2 77 77 GLU HB3 H 1 2.121 0.03 . 1 . . . B 384 GLU HB3 . 25343 1 704 . 2 2 77 77 GLU HG2 H 1 2.352 0.03 . 1 . . . B 384 GLU HG2 . 25343 1 705 . 2 2 77 77 GLU HG3 H 1 2.352 0.03 . 1 . . . B 384 GLU HG3 . 25343 1 706 . 2 2 77 77 GLU N N 15 124.260 0.25 . 1 . . . B 384 GLU N . 25343 1 707 . 2 2 78 78 GLY H H 1 9.188 0.03 . 1 . . . B 385 GLY H . 25343 1 708 . 2 2 78 78 GLY HA2 H 1 3.757 0.03 . 1 . . . B 385 GLY HA2 . 25343 1 709 . 2 2 78 78 GLY HA3 H 1 3.174 0.03 . 1 . . . B 385 GLY HA3 . 25343 1 710 . 2 2 78 78 GLY N N 15 110.610 0.25 . 1 . . . B 385 GLY N . 25343 1 711 . 2 2 79 79 GLU H H 1 8.721 0.03 . 1 . . . B 386 GLU H . 25343 1 712 . 2 2 79 79 GLU HA H 1 3.828 0.03 . 1 . . . B 386 GLU HA . 25343 1 713 . 2 2 79 79 GLU HB2 H 1 1.770 0.03 . 1 . . . B 386 GLU HB2 . 25343 1 714 . 2 2 79 79 GLU HB3 H 1 1.770 0.03 . 1 . . . B 386 GLU HB3 . 25343 1 715 . 2 2 79 79 GLU HG2 H 1 2.001 0.03 . 1 . . . B 386 GLU HG2 . 25343 1 716 . 2 2 79 79 GLU HG3 H 1 2.105 0.03 . 1 . . . B 386 GLU HG3 . 25343 1 717 . 2 2 79 79 GLU N N 15 119.560 0.25 . 1 . . . B 386 GLU N . 25343 1 718 . 2 2 80 80 GLN H H 1 7.432 0.03 . 1 . . . B 387 GLN H . 25343 1 719 . 2 2 80 80 GLN HA H 1 3.828 0.03 . 1 . . . B 387 GLN HA . 25343 1 720 . 2 2 80 80 GLN HB2 H 1 1.961 0.03 . 1 . . . B 387 GLN HB2 . 25343 1 721 . 2 2 80 80 GLN HB3 H 1 2.121 0.03 . 1 . . . B 387 GLN HB3 . 25343 1 722 . 2 2 80 80 GLN HG2 H 1 2.416 0.03 . 1 . . . B 387 GLN HG2 . 25343 1 723 . 2 2 80 80 GLN HG3 H 1 2.248 0.03 . 1 . . . B 387 GLN HG3 . 25343 1 724 . 2 2 80 80 GLN N N 15 119.700 0.25 . 1 . . . B 387 GLN N . 25343 1 725 . 2 2 81 81 ILE H H 1 7.409 0.03 . 1 . . . B 388 ILE H . 25343 1 726 . 2 2 81 81 ILE HA H 1 2.512 0.03 . 1 . . . B 388 ILE HA . 25343 1 727 . 2 2 81 81 ILE HB H 1 0.389 0.03 . 1 . . . B 388 ILE HB . 25343 1 728 . 2 2 81 81 ILE HG21 H 1 -0.553 0.03 . 1 . . . B 388 ILE HG21 . 25343 1 729 . 2 2 81 81 ILE HG22 H 1 -0.553 0.03 . 1 . . . B 388 ILE HG22 . 25343 1 730 . 2 2 81 81 ILE HG23 H 1 -0.553 0.03 . 1 . . . B 388 ILE HG23 . 25343 1 731 . 2 2 81 81 ILE HD11 H 1 -0.178 0.03 . 1 . . . B 388 ILE HD11 . 25343 1 732 . 2 2 81 81 ILE HD12 H 1 -0.178 0.03 . 1 . . . B 388 ILE HD12 . 25343 1 733 . 2 2 81 81 ILE HD13 H 1 -0.178 0.03 . 1 . . . B 388 ILE HD13 . 25343 1 734 . 2 2 81 81 ILE N N 15 121.390 0.25 . 1 . . . B 388 ILE N . 25343 1 735 . 2 2 82 82 ALA H H 1 8.072 0.03 . 1 . . . B 389 ALA H . 25343 1 736 . 2 2 82 82 ALA HA H 1 3.342 0.03 . 1 . . . B 389 ALA HA . 25343 1 737 . 2 2 82 82 ALA HB1 H 1 1.450 0.03 . 1 . . . B 389 ALA HB1 . 25343 1 738 . 2 2 82 82 ALA HB2 H 1 1.450 0.03 . 1 . . . B 389 ALA HB2 . 25343 1 739 . 2 2 82 82 ALA HB3 H 1 1.450 0.03 . 1 . . . B 389 ALA HB3 . 25343 1 740 . 2 2 82 82 ALA N N 15 119.370 0.25 . 1 . . . B 389 ALA N . 25343 1 741 . 2 2 83 83 GLN H H 1 7.512 0.03 . 1 . . . B 390 GLN H . 25343 1 742 . 2 2 83 83 GLN HA H 1 3.820 0.03 . 1 . . . B 390 GLN HA . 25343 1 743 . 2 2 83 83 GLN HB2 H 1 1.921 0.03 . 1 . . . B 390 GLN HB2 . 25343 1 744 . 2 2 83 83 GLN HB3 H 1 1.921 0.03 . 1 . . . B 390 GLN HB3 . 25343 1 745 . 2 2 83 83 GLN HG2 H 1 2.384 0.03 . 1 . . . B 390 GLN HG2 . 25343 1 746 . 2 2 83 83 GLN HG3 H 1 2.256 0.03 . 1 . . . B 390 GLN HG3 . 25343 1 747 . 2 2 83 83 GLN N N 15 115.170 0.25 . 1 . . . B 390 GLN N . 25343 1 748 . 2 2 84 84 LEU H H 1 7.195 0.03 . 1 . . . B 391 LEU H . 25343 1 749 . 2 2 84 84 LEU HA H 1 3.629 0.03 . 1 . . . B 391 LEU HA . 25343 1 750 . 2 2 84 84 LEU HB2 H 1 1.307 0.03 . 1 . . . B 391 LEU HB2 . 25343 1 751 . 2 2 84 84 LEU HB3 H 1 1.482 0.03 . 1 . . . B 391 LEU HB3 . 25343 1 752 . 2 2 84 84 LEU HG H 1 1.227 0.03 . 1 . . . B 391 LEU HG . 25343 1 753 . 2 2 84 84 LEU HD11 H 1 0.708 0.03 . 1 . . . B 391 LEU HD11 . 25343 1 754 . 2 2 84 84 LEU HD12 H 1 0.708 0.03 . 1 . . . B 391 LEU HD12 . 25343 1 755 . 2 2 84 84 LEU HD13 H 1 0.708 0.03 . 1 . . . B 391 LEU HD13 . 25343 1 756 . 2 2 84 84 LEU HD21 H 1 0.708 0.03 . 1 . . . B 391 LEU HD21 . 25343 1 757 . 2 2 84 84 LEU HD22 H 1 0.708 0.03 . 1 . . . B 391 LEU HD22 . 25343 1 758 . 2 2 84 84 LEU HD23 H 1 0.708 0.03 . 1 . . . B 391 LEU HD23 . 25343 1 759 . 2 2 84 84 LEU N N 15 121.180 0.25 . 1 . . . B 391 LEU N . 25343 1 760 . 2 2 85 85 ILE H H 1 7.664 0.03 . 1 . . . B 392 ILE H . 25343 1 761 . 2 2 85 85 ILE HA H 1 3.094 0.03 . 1 . . . B 392 ILE HA . 25343 1 762 . 2 2 85 85 ILE HB H 1 1.043 0.03 . 1 . . . B 392 ILE HB . 25343 1 763 . 2 2 85 85 ILE HG21 H 1 -0.146 0.03 . 1 . . . B 392 ILE HG21 . 25343 1 764 . 2 2 85 85 ILE HG22 H 1 -0.146 0.03 . 1 . . . B 392 ILE HG22 . 25343 1 765 . 2 2 85 85 ILE HG23 H 1 -0.146 0.03 . 1 . . . B 392 ILE HG23 . 25343 1 766 . 2 2 85 85 ILE HD11 H 1 0.461 0.03 . 1 . . . B 392 ILE HD11 . 25343 1 767 . 2 2 85 85 ILE HD12 H 1 0.461 0.03 . 1 . . . B 392 ILE HD12 . 25343 1 768 . 2 2 85 85 ILE HD13 H 1 0.461 0.03 . 1 . . . B 392 ILE HD13 . 25343 1 769 . 2 2 85 85 ILE N N 15 117.670 0.25 . 1 . . . B 392 ILE N . 25343 1 770 . 2 2 86 86 ALA H H 1 8.270 0.03 . 1 . . . B 393 ALA H . 25343 1 771 . 2 2 86 86 ALA HA H 1 3.637 0.03 . 1 . . . B 393 ALA HA . 25343 1 772 . 2 2 86 86 ALA HB1 H 1 1.442 0.03 . 1 . . . B 393 ALA HB1 . 25343 1 773 . 2 2 86 86 ALA HB2 H 1 1.442 0.03 . 1 . . . B 393 ALA HB2 . 25343 1 774 . 2 2 86 86 ALA HB3 H 1 1.442 0.03 . 1 . . . B 393 ALA HB3 . 25343 1 775 . 2 2 86 86 ALA N N 15 120.450 0.25 . 1 . . . B 393 ALA N . 25343 1 776 . 2 2 87 87 GLY H H 1 7.447 0.03 . 1 . . . B 394 GLY H . 25343 1 777 . 2 2 87 87 GLY HA2 H 1 3.773 0.03 . 1 . . . B 394 GLY HA2 . 25343 1 778 . 2 2 87 87 GLY HA3 H 1 3.773 0.03 . 1 . . . B 394 GLY HA3 . 25343 1 779 . 2 2 87 87 GLY N N 15 103.770 0.25 . 1 . . . B 394 GLY N . 25343 1 780 . 2 2 88 88 TYR H H 1 7.524 0.03 . 1 . . . B 395 TYR H . 25343 1 781 . 2 2 88 88 TYR HA H 1 4.650 0.03 . 1 . . . B 395 TYR HA . 25343 1 782 . 2 2 88 88 TYR HB2 H 1 2.951 0.03 . 1 . . . B 395 TYR HB2 . 25343 1 783 . 2 2 88 88 TYR HB3 H 1 2.775 0.03 . 1 . . . B 395 TYR HB3 . 25343 1 784 . 2 2 88 88 TYR HD1 H 1 6.692 0.03 . 3 . . . B 395 TYR HD1 . 25343 1 785 . 2 2 88 88 TYR HD2 H 1 6.692 0.03 . 3 . . . B 395 TYR HD2 . 25343 1 786 . 2 2 88 88 TYR HE1 H 1 6.391 0.03 . 3 . . . B 395 TYR HE1 . 25343 1 787 . 2 2 88 88 TYR HE2 H 1 6.391 0.03 . 3 . . . B 395 TYR HE2 . 25343 1 788 . 2 2 88 88 TYR N N 15 121.450 0.25 . 1 . . . B 395 TYR N . 25343 1 789 . 2 2 89 89 ILE H H 1 8.723 0.03 . 1 . . . B 396 ILE H . 25343 1 790 . 2 2 89 89 ILE HA H 1 3.661 0.03 . 1 . . . B 396 ILE HA . 25343 1 791 . 2 2 89 89 ILE HB H 1 1.817 0.03 . 1 . . . B 396 ILE HB . 25343 1 792 . 2 2 89 89 ILE HG12 H 1 1.458 0.03 . 1 . . . B 396 ILE HG12 . 25343 1 793 . 2 2 89 89 ILE HG13 H 1 1.458 0.03 . 1 . . . B 396 ILE HG13 . 25343 1 794 . 2 2 89 89 ILE HG21 H 1 0.932 0.03 . 1 . . . B 396 ILE HG21 . 25343 1 795 . 2 2 89 89 ILE HG22 H 1 0.932 0.03 . 1 . . . B 396 ILE HG22 . 25343 1 796 . 2 2 89 89 ILE HG23 H 1 0.932 0.03 . 1 . . . B 396 ILE HG23 . 25343 1 797 . 2 2 89 89 ILE HD11 H 1 0.596 0.03 . 1 . . . B 396 ILE HD11 . 25343 1 798 . 2 2 89 89 ILE HD12 H 1 0.596 0.03 . 1 . . . B 396 ILE HD12 . 25343 1 799 . 2 2 89 89 ILE HD13 H 1 0.596 0.03 . 1 . . . B 396 ILE HD13 . 25343 1 800 . 2 2 89 89 ILE N N 15 123.060 0.25 . 1 . . . B 396 ILE N . 25343 1 801 . 2 2 90 90 ASP H H 1 7.873 0.03 . 1 . . . B 397 ASP H . 25343 1 802 . 2 2 90 90 ASP HA H 1 4.339 0.03 . 1 . . . B 397 ASP HA . 25343 1 803 . 2 2 90 90 ASP HB2 H 1 2.560 0.03 . 1 . . . B 397 ASP HB2 . 25343 1 804 . 2 2 90 90 ASP HB3 H 1 2.775 0.03 . 1 . . . B 397 ASP HB3 . 25343 1 805 . 2 2 90 90 ASP N N 15 119.980 0.25 . 1 . . . B 397 ASP N . 25343 1 806 . 2 2 91 91 ILE H H 1 7.147 0.03 . 1 . . . B 398 ILE H . 25343 1 807 . 2 2 91 91 ILE HA H 1 3.645 0.03 . 1 . . . B 398 ILE HA . 25343 1 808 . 2 2 91 91 ILE HB H 1 1.937 0.03 . 1 . . . B 398 ILE HB . 25343 1 809 . 2 2 91 91 ILE HG12 H 1 1.786 0.03 . 1 . . . B 398 ILE HG12 . 25343 1 810 . 2 2 91 91 ILE HG13 H 1 1.123 0.03 . 1 . . . B 398 ILE HG13 . 25343 1 811 . 2 2 91 91 ILE HG21 H 1 0.860 0.03 . 1 . . . B 398 ILE HG21 . 25343 1 812 . 2 2 91 91 ILE HG22 H 1 0.860 0.03 . 1 . . . B 398 ILE HG22 . 25343 1 813 . 2 2 91 91 ILE HG23 H 1 0.860 0.03 . 1 . . . B 398 ILE HG23 . 25343 1 814 . 2 2 91 91 ILE HD11 H 1 0.860 0.03 . 1 . . . B 398 ILE HD11 . 25343 1 815 . 2 2 91 91 ILE HD12 H 1 0.860 0.03 . 1 . . . B 398 ILE HD12 . 25343 1 816 . 2 2 91 91 ILE HD13 H 1 0.860 0.03 . 1 . . . B 398 ILE HD13 . 25343 1 817 . 2 2 91 91 ILE N N 15 116.470 0.25 . 1 . . . B 398 ILE N . 25343 1 818 . 2 2 92 92 ILE H H 1 7.449 0.03 . 1 . . . B 399 ILE H . 25343 1 819 . 2 2 92 92 ILE HA H 1 3.637 0.03 . 1 . . . B 399 ILE HA . 25343 1 820 . 2 2 92 92 ILE HB H 1 1.953 0.03 . 1 . . . B 399 ILE HB . 25343 1 821 . 2 2 92 92 ILE HG12 H 1 1.107 0.03 . 1 . . . B 399 ILE HG12 . 25343 1 822 . 2 2 92 92 ILE HG13 H 1 1.746 0.03 . 1 . . . B 399 ILE HG13 . 25343 1 823 . 2 2 92 92 ILE HG21 H 1 0.828 0.03 . 1 . . . B 399 ILE HG21 . 25343 1 824 . 2 2 92 92 ILE HG22 H 1 0.828 0.03 . 1 . . . B 399 ILE HG22 . 25343 1 825 . 2 2 92 92 ILE HG23 H 1 0.828 0.03 . 1 . . . B 399 ILE HG23 . 25343 1 826 . 2 2 92 92 ILE HD11 H 1 0.828 0.03 . 1 . . . B 399 ILE HD11 . 25343 1 827 . 2 2 92 92 ILE HD12 H 1 0.828 0.03 . 1 . . . B 399 ILE HD12 . 25343 1 828 . 2 2 92 92 ILE HD13 H 1 0.828 0.03 . 1 . . . B 399 ILE HD13 . 25343 1 829 . 2 2 92 92 ILE N N 15 121.160 0.25 . 1 . . . B 399 ILE N . 25343 1 830 . 2 2 93 93 LEU H H 1 8.378 0.03 . 1 . . . B 400 LEU H . 25343 1 831 . 2 2 93 93 LEU HA H 1 4.050 0.03 . 1 . . . B 400 LEU HA . 25343 1 832 . 2 2 93 93 LEU HB2 H 1 1.801 0.03 . 1 . . . B 400 LEU HB2 . 25343 1 833 . 2 2 93 93 LEU HB3 H 1 1.801 0.03 . 1 . . . B 400 LEU HB3 . 25343 1 834 . 2 2 93 93 LEU HG H 1 1.450 0.03 . 1 . . . B 400 LEU HG . 25343 1 835 . 2 2 93 93 LEU HD11 H 1 0.828 0.03 . 1 . . . B 400 LEU HD11 . 25343 1 836 . 2 2 93 93 LEU HD12 H 1 0.828 0.03 . 1 . . . B 400 LEU HD12 . 25343 1 837 . 2 2 93 93 LEU HD13 H 1 0.828 0.03 . 1 . . . B 400 LEU HD13 . 25343 1 838 . 2 2 93 93 LEU HD21 H 1 0.828 0.03 . 1 . . . B 400 LEU HD21 . 25343 1 839 . 2 2 93 93 LEU HD22 H 1 0.828 0.03 . 1 . . . B 400 LEU HD22 . 25343 1 840 . 2 2 93 93 LEU HD23 H 1 0.828 0.03 . 1 . . . B 400 LEU HD23 . 25343 1 841 . 2 2 93 93 LEU N N 15 119.680 0.25 . 1 . . . B 400 LEU N . 25343 1 stop_ save_