data_7061 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7061 _Entry.Title ; NMR structure of talin-PTB in complex with PIPKI ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-10 _Entry.Accession_date 2006-04-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 X. Kong . . . 7061 2 X. Wang . . . 7061 3 S. Misra . . . 7061 4 J. Qin . . . 7061 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 7061 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 441 7061 '15N chemical shifts' 123 7061 '1H chemical shifts' 740 7061 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 . . . 2008-07-17 . update BMRB 'Updating non-standard residue' 7061 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2G35 'BMRB Entry Tracking System' 7061 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7061 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16616931 _Citation.Full_citation . _Citation.Title ; Structural Basis for the Phosphorylation-regulated Focal Adhesion Targeting of Type Igamma Phosphatidylinositol Phosphate Kinase (PIPKIgamma) by Talin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 359 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 47 _Citation.Page_last 54 _Citation.Year 2006 _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 X. Kong . . . 7061 1 2 X. Wang . . . 7061 1 3 S. Misra . . . 7061 1 4 J. Qin . . . 7061 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID PIPKI 7061 1 'PTB DOMAIN' 7061 1 TALIN 7061 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Talin-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Talin-1 _Assembly.Entry_ID 7061 _Assembly.ID 1 _Assembly.Name Talin-1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 7061 1 stop_ 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 Talin-1 1 $Talin-1 . . . native . . . . . 7061 1 2 peptide 2 $SWVXSPLH . . . native . . . . . 7061 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2G35 . . . . . . 7061 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Talin-1 abbreviation 7061 1 Talin-1 system 7061 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Talin-1 _Entity.Sf_category entity _Entity.Sf_framecode Talin-1 _Entity.Entry_ID 7061 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Talin-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LKTYGVSFFLVKEKMKGKNK LVPRLLGITKECVMRVDEKT KEVIQEWSLTNIKRWAASPK SFTLDFGDYQDGYYSVQTTE GEQIAQLIAGYIDIILKKKK SKDHFG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no BMRB 15792 . talin-F2F3 . . . . . 95.28 201 100.00 100.00 1.35e-51 . . . . 7061 1 no PDB 1MIX . "Crystal Structure Of A Ferm Domain Of Talin" . . . . . 90.57 206 100.00 100.00 3.29e-49 . . . . 7061 1 no PDB 1MIZ . "Crystal Structure Of An Integrin Beta3-Talin Chimera" . . . . . 90.57 201 100.00 100.00 2.50e-49 . . . . 7061 1 no PDB 1MK7 . "Crystal Structure Of An Integrin Beta3-Talin Chimera" . . . . . 90.57 192 100.00 100.00 3.27e-49 . . . . 7061 1 no PDB 1MK9 . "Crystal Structure Of An Integrin Beta3-Talin Chimera" . . . . . 90.57 192 100.00 100.00 3.27e-49 . . . . 7061 1 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 4.55e-55 . . . . 7061 1 no PDB 2G35 . "Nmr Structure Of Talin-Ptb In Complex With Pipki" . . . . . 94.34 100 100.00 100.00 9.04e-51 . . . . 7061 1 no PDB 2H7D . "Solution Structure Of The Talin F3 Domain In Complex With A Chimeric Beta3 Integrin-Pip Kinase Peptide" . . . . . 91.51 101 98.97 98.97 5.44e-48 . . . . 7061 1 no PDB 2H7E . "Solution Structure Of The Talin F3 Domain In Complex With A Chimeric Beta3 Integrin-Pip Kinase Peptide- Minimized Average Struc" . . . . . 91.51 101 98.97 98.97 5.44e-48 . . . . 7061 1 no PDB 2K00 . "Solution Structure Of The Talin F3 In Complex With Layilin Cytodomain" . . . . . 86.79 92 100.00 100.00 1.24e-46 . . . . 7061 1 no PDB 2KGX . "Haddock Structure Of The Talin F3 Domain In Complex With Talin 1655-1822" . . . . . 85.85 91 98.90 98.90 5.49e-45 . . . . 7061 1 no PDB 3IVF . "Crystal Structure Of The Talin Head Ferm Domain" . . . . . 90.57 371 100.00 100.00 2.34e-49 . . . . 7061 1 no DBJ BAA82979 . "KIAA1027 protein [Homo sapiens]" . . . . . 100.00 2550 99.06 100.00 7.14e-57 . . . . 7061 1 no DBJ BAC30516 . "unnamed protein product [Mus musculus]" . . . . . 89.62 300 100.00 100.00 4.92e-49 . . . . 7061 1 no DBJ BAC65702 . "mKIAA1027 protein [Mus musculus]" . . . . . 100.00 2564 100.00 100.00 2.65e-57 . . . . 7061 1 no DBJ BAE27781 . "unnamed protein product [Mus musculus]" . . . . . 100.00 2541 100.00 100.00 2.74e-57 . . . . 7061 1 no DBJ BAG09941 . "talin-1 [synthetic construct]" . . . . . 100.00 2541 99.06 100.00 7.08e-57 . . . . 7061 1 no EMBL CAA39588 . "talin [Mus musculus]" . . . . . 100.00 2541 100.00 100.00 2.65e-57 . . . . 7061 1 no EMBL CAI10978 . "talin 1 [Homo sapiens]" . . . . . 100.00 2429 99.06 100.00 7.76e-57 . . . . 7061 1 no EMBL CAM17190 . "talin 1 [Mus musculus]" . . . . . 100.00 2541 100.00 100.00 2.69e-57 . . . . 7061 1 no GB AAD13152 . "talin [Homo sapiens]" . . . . . 100.00 2541 99.06 100.00 6.85e-57 . . . . 7061 1 no GB AAF23322 . "talin [Homo sapiens]" . . . . . 100.00 2541 99.06 100.00 6.85e-57 . . . . 7061 1 no GB AAF27330 . "talin [Homo sapiens]" . . . . . 100.00 2540 99.06 100.00 7.08e-57 . . . . 7061 1 no GB AAH42923 . "Talin 1 [Homo sapiens]" . . . . . 100.00 2541 99.06 100.00 7.08e-57 . . . . 7061 1 no GB AAI21760 . "Tln1 protein [Danio rerio]" . . . . . 94.34 405 99.00 99.00 5.62e-50 . . . . 7061 1 no PRF 1617167A . talin . . . . . 100.00 2541 100.00 100.00 2.65e-57 . . . . 7061 1 no REF NP_001034114 . "talin-1 [Rattus norvegicus]" . . . . . 100.00 2541 100.00 100.00 2.41e-57 . . . . 7061 1 no REF NP_006280 . "talin-1 [Homo sapiens]" . . . . . 100.00 2541 99.06 100.00 7.08e-57 . . . . 7061 1 no REF NP_035732 . "talin-1 [Mus musculus]" . . . . . 100.00 2541 100.00 100.00 2.69e-57 . . . . 7061 1 no REF NP_989854 . "talin-1 [Gallus gallus]" . . . . . 100.00 2541 100.00 100.00 1.27e-56 . . . . 7061 1 no REF XP_001084941 . "PREDICTED: talin-1 [Macaca mulatta]" . . . . . 100.00 2428 99.06 100.00 7.70e-57 . . . . 7061 1 no SP P26039 . "RecName: Full=Talin-1" . . . . . 100.00 2541 100.00 100.00 2.65e-57 . . . . 7061 1 no SP P54939 . "RecName: Full=Talin-1" . . . . . 100.00 2541 100.00 100.00 1.27e-56 . . . . 7061 1 no SP Q9Y490 . "RecName: Full=Talin-1" . . . . . 100.00 2541 99.06 100.00 7.08e-57 . . . . 7061 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Talin-1 abbreviation 7061 1 Talin-1 common 7061 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 . LEU . 7061 1 2 . LYS . 7061 1 3 . THR . 7061 1 4 . TYR . 7061 1 5 . GLY . 7061 1 6 . VAL . 7061 1 7 . SER . 7061 1 8 . PHE . 7061 1 9 . PHE . 7061 1 10 . LEU . 7061 1 11 . VAL . 7061 1 12 . LYS . 7061 1 13 . GLU . 7061 1 14 . LYS . 7061 1 15 . MET . 7061 1 16 . LYS . 7061 1 17 . GLY . 7061 1 18 . LYS . 7061 1 19 . ASN . 7061 1 20 . LYS . 7061 1 21 . LEU . 7061 1 22 . VAL . 7061 1 23 . PRO . 7061 1 24 . ARG . 7061 1 25 . LEU . 7061 1 26 . LEU . 7061 1 27 . GLY . 7061 1 28 . ILE . 7061 1 29 . THR . 7061 1 30 . LYS . 7061 1 31 . GLU . 7061 1 32 . CYS . 7061 1 33 . VAL . 7061 1 34 . MET . 7061 1 35 . ARG . 7061 1 36 . VAL . 7061 1 37 . ASP . 7061 1 38 . GLU . 7061 1 39 . LYS . 7061 1 40 . THR . 7061 1 41 . LYS . 7061 1 42 . GLU . 7061 1 43 . VAL . 7061 1 44 . ILE . 7061 1 45 . GLN . 7061 1 46 . GLU . 7061 1 47 . TRP . 7061 1 48 . SER . 7061 1 49 . LEU . 7061 1 50 . THR . 7061 1 51 . ASN . 7061 1 52 . ILE . 7061 1 53 . LYS . 7061 1 54 . ARG . 7061 1 55 . TRP . 7061 1 56 . ALA . 7061 1 57 . ALA . 7061 1 58 . SER . 7061 1 59 . PRO . 7061 1 60 . LYS . 7061 1 61 . SER . 7061 1 62 . PHE . 7061 1 63 . THR . 7061 1 64 . LEU . 7061 1 65 . ASP . 7061 1 66 . PHE . 7061 1 67 . GLY . 7061 1 68 . ASP . 7061 1 69 . TYR . 7061 1 70 . GLN . 7061 1 71 . ASP . 7061 1 72 . GLY . 7061 1 73 . TYR . 7061 1 74 . TYR . 7061 1 75 . SER . 7061 1 76 . VAL . 7061 1 77 . GLN . 7061 1 78 . THR . 7061 1 79 . THR . 7061 1 80 . GLU . 7061 1 81 . GLY . 7061 1 82 . GLU . 7061 1 83 . GLN . 7061 1 84 . ILE . 7061 1 85 . ALA . 7061 1 86 . GLN . 7061 1 87 . LEU . 7061 1 88 . ILE . 7061 1 89 . ALA . 7061 1 90 . GLY . 7061 1 91 . TYR . 7061 1 92 . ILE . 7061 1 93 . ASP . 7061 1 94 . ILE . 7061 1 95 . ILE . 7061 1 96 . LEU . 7061 1 97 . LYS . 7061 1 98 . LYS . 7061 1 99 . LYS . 7061 1 100 . LYS . 7061 1 101 . SER . 7061 1 102 . LYS . 7061 1 103 . ASP . 7061 1 104 . HIS . 7061 1 105 . PHE . 7061 1 106 . GLY . 7061 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 . LEU 1 1 7061 1 . LYS 2 2 7061 1 . THR 3 3 7061 1 . TYR 4 4 7061 1 . GLY 5 5 7061 1 . VAL 6 6 7061 1 . SER 7 7 7061 1 . PHE 8 8 7061 1 . PHE 9 9 7061 1 . LEU 10 10 7061 1 . VAL 11 11 7061 1 . LYS 12 12 7061 1 . GLU 13 13 7061 1 . LYS 14 14 7061 1 . MET 15 15 7061 1 . LYS 16 16 7061 1 . GLY 17 17 7061 1 . LYS 18 18 7061 1 . ASN 19 19 7061 1 . LYS 20 20 7061 1 . LEU 21 21 7061 1 . VAL 22 22 7061 1 . PRO 23 23 7061 1 . ARG 24 24 7061 1 . LEU 25 25 7061 1 . LEU 26 26 7061 1 . GLY 27 27 7061 1 . ILE 28 28 7061 1 . THR 29 29 7061 1 . LYS 30 30 7061 1 . GLU 31 31 7061 1 . CYS 32 32 7061 1 . VAL 33 33 7061 1 . MET 34 34 7061 1 . ARG 35 35 7061 1 . VAL 36 36 7061 1 . ASP 37 37 7061 1 . GLU 38 38 7061 1 . LYS 39 39 7061 1 . THR 40 40 7061 1 . LYS 41 41 7061 1 . GLU 42 42 7061 1 . VAL 43 43 7061 1 . ILE 44 44 7061 1 . GLN 45 45 7061 1 . GLU 46 46 7061 1 . TRP 47 47 7061 1 . SER 48 48 7061 1 . LEU 49 49 7061 1 . THR 50 50 7061 1 . ASN 51 51 7061 1 . ILE 52 52 7061 1 . LYS 53 53 7061 1 . ARG 54 54 7061 1 . TRP 55 55 7061 1 . ALA 56 56 7061 1 . ALA 57 57 7061 1 . SER 58 58 7061 1 . PRO 59 59 7061 1 . LYS 60 60 7061 1 . SER 61 61 7061 1 . PHE 62 62 7061 1 . THR 63 63 7061 1 . LEU 64 64 7061 1 . ASP 65 65 7061 1 . PHE 66 66 7061 1 . GLY 67 67 7061 1 . ASP 68 68 7061 1 . TYR 69 69 7061 1 . GLN 70 70 7061 1 . ASP 71 71 7061 1 . GLY 72 72 7061 1 . TYR 73 73 7061 1 . TYR 74 74 7061 1 . SER 75 75 7061 1 . VAL 76 76 7061 1 . GLN 77 77 7061 1 . THR 78 78 7061 1 . THR 79 79 7061 1 . GLU 80 80 7061 1 . GLY 81 81 7061 1 . GLU 82 82 7061 1 . GLN 83 83 7061 1 . ILE 84 84 7061 1 . ALA 85 85 7061 1 . GLN 86 86 7061 1 . LEU 87 87 7061 1 . ILE 88 88 7061 1 . ALA 89 89 7061 1 . GLY 90 90 7061 1 . TYR 91 91 7061 1 . ILE 92 92 7061 1 . ASP 93 93 7061 1 . ILE 94 94 7061 1 . ILE 95 95 7061 1 . LEU 96 96 7061 1 . LYS 97 97 7061 1 . LYS 98 98 7061 1 . LYS 99 99 7061 1 . LYS 100 100 7061 1 . SER 101 101 7061 1 . LYS 102 102 7061 1 . ASP 103 103 7061 1 . HIS 104 104 7061 1 . PHE 105 105 7061 1 . GLY 106 106 7061 1 stop_ save_ save_SWVXSPLH _Entity.Sf_category entity _Entity.Sf_framecode SWVXSPLH _Entity.Entry_ID 7061 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SWVXSPLH _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can SWVXSPLH _Entity.Polymer_seq_one_letter_code SWVXSPLH _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID PTR _Entity.Nonpolymer_comp_label $chem_comp_PTR _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SWVXSPLH abbreviation 7061 2 SWVXSPLH common 7061 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 . SER . 7061 2 2 . TRP . 7061 2 3 . VAL . 7061 2 4 . PTR . 7061 2 5 . SER . 7061 2 6 . PRO . 7061 2 7 . LEU . 7061 2 8 . HIS . 7061 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 . SER 1 1 7061 2 . TRP 2 2 7061 2 . VAL 3 3 7061 2 . PTR 4 4 7061 2 . SER 5 5 7061 2 . PRO 6 6 7061 2 . LEU 7 7 7061 2 . HIS 8 8 7061 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 7061 _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 $Talin-1 . 10090 . . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 7061 1 2 2 $SWVXSPLH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7061 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 7061 _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 $Talin-1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7061 1 2 2 $SWVXSPLH . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7061 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PTR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PTR _Chem_comp.Entry_ID 7061 _Chem_comp.ID PTR _Chem_comp.Provenance . _Chem_comp.Name O-PHOSPHOTYROSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code PTR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code Y _Chem_comp.Three_letter_code PTR _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID TYR _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOTYROSINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C9 H12 N O6 P' _Chem_comp.Formula_weight 261.168 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 29 12:29:47 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 7061 PTR c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7061 PTR DCWXELXMIBXGTH-QMMMGPOBSA-N InChIKey InChI 1.03 7061 PTR InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 InChI InChI 1.03 7061 PTR N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 7061 PTR N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES CACTVS 3.341 7061 PTR O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O SMILES ACDLabs 10.04 7061 PTR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7061 PTR O-phosphono-L-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 7061 PTR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 46.366 . 11.139 . -0.665 . 1.298 0.975 3.302 1 . 7061 PTR CA . CA . . C . . S 0 . . . . no no . . . . 44.969 . 11.616 . -0.749 . -0.036 0.399 3.512 2 . 7061 PTR C . C . . C . . N 0 . . . . no no . . . . 44.978 . 13.010 . -1.358 . -0.148 -0.106 4.928 3 . 7061 PTR O . O . . O . . N 0 . . . . no no . . . . 43.891 . 13.514 . -1.708 . 0.833 -0.507 5.505 4 . 7061 PTR OXT . OXT . . O . . N 0 . . . . no yes . . . . 46.088 . 13.575 . -1.497 . -1.339 -0.110 5.546 5 . 7061 PTR CB . CB . . C . . N 0 . . . . no no . . . . 44.332 . 11.618 . 0.644 . -0.250 -0.760 2.538 6 . 7061 PTR CG . CG . . C . . N 0 . . . . yes no . . . . 44.885 . 12.640 . 1.620 . -0.138 -0.254 1.123 7 . 7061 PTR CD1 . CD1 . . C . . N 0 . . . . yes no . . . . 45.913 . 12.302 . 2.506 . 1.089 -0.250 0.487 8 . 7061 PTR CD2 . CD2 . . C . . N 0 . . . . yes no . . . . 44.319 . 13.921 . 1.716 . -1.264 0.198 0.461 9 . 7061 PTR CE1 . CE1 . . C . . N 0 . . . . yes no . . . . 46.364 . 13.214 . 3.480 . 1.194 0.212 -0.810 10 . 7061 PTR CE2 . CE2 . . C . . N 0 . . . . yes no . . . . 44.753 . 14.849 . 2.683 . -1.163 0.668 -0.834 11 . 7061 PTR CZ . CZ . . C . . N 0 . . . . yes no . . . . 45.772 . 14.487 . 3.562 . 0.067 0.673 -1.474 12 . 7061 PTR OH . OH . . O . . N 0 . . . . no no . . . . 46.216 . 15.385 . 4.594 . 0.168 1.129 -2.750 13 . 7061 PTR P . P . . P . . N 0 . . . . no no . . . . 45.382 . 15.884 . 5.757 . -0.065 -0.136 -3.717 14 . 7061 PTR O1P . O1P . . O . . N 0 . . . . no no . . . . 44.096 . 16.422 . 5.355 . -1.409 -0.705 -3.467 15 . 7061 PTR O2P . O2P . . O . . N 0 . . . . no no . . . . 46.274 . 16.938 . 6.218 . 0.040 0.334 -5.253 16 . 7061 PTR O3P . O3P . . O . . N 0 . . . . no no . . . . 45.279 . 14.830 . 6.778 . 1.053 -1.253 -3.419 17 . 7061 PTR H . H . . H . . N 0 . . . . no no . . . . 46.360 . 10.204 . -0.256 . 1.963 0.235 3.473 18 . 7061 PTR HN2 . HN2 . . H . . N 0 . . . . no yes . . . . 46.972 . 11.785 . -0.159 . 1.365 1.204 2.322 19 . 7061 PTR HA . HA . . H . . N 0 . . . . no no . . . . 44.360 . 10.939 . -1.392 . -0.793 1.164 3.339 20 . 7061 PTR HXT . HXT . . H . . N 0 . . . . no yes . . . . 46.093 . 14.445 . -1.877 . -1.411 -0.435 6.454 21 . 7061 PTR HB2 . HB2 . . H . . N 0 . . . . no no . . . . 43.226 . 11.735 . 0.556 . 0.506 -1.525 2.711 22 . 7061 PTR HB3 . HB3 . . H . . N 0 . . . . no no . . . . 44.388 . 10.597 . 1.089 . -1.241 -1.187 2.694 23 . 7061 PTR HD1 . HD1 . . H . . N 0 . . . . no no . . . . 46.374 . 11.302 . 2.435 . 1.966 -0.609 1.004 24 . 7061 PTR HD2 . HD2 . . H . . N 0 . . . . no no . . . . 43.515 . 14.204 . 1.015 . -2.222 0.194 0.959 25 . 7061 PTR HE1 . HE1 . . H . . N 0 . . . . no no . . . . 47.174 . 12.933 . 4.173 . 2.154 0.216 -1.306 26 . 7061 PTR HE2 . HE2 . . H . . N 0 . . . . no no . . . . 44.298 . 15.851 . 2.751 . -2.041 1.026 -1.349 27 . 7061 PTR HO2P . HO2P . . H . . N 0 . . . . no no . . . . 45.751 . 17.250 . 6.947 . -0.105 -0.451 -5.797 28 . 7061 PTR HO3P . HO3P . . H . . N 0 . . . . no no . . . . 44.756 . 15.142 . 7.507 . 1.911 -0.843 -3.593 29 . 7061 PTR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 7061 PTR 2 . SING N H no N 2 . 7061 PTR 3 . SING N HN2 no N 3 . 7061 PTR 4 . SING CA C no N 4 . 7061 PTR 5 . SING CA CB no N 5 . 7061 PTR 6 . SING CA HA no N 6 . 7061 PTR 7 . DOUB C O no N 7 . 7061 PTR 8 . SING C OXT no N 8 . 7061 PTR 9 . SING OXT HXT no N 9 . 7061 PTR 10 . SING CB CG no N 10 . 7061 PTR 11 . SING CB HB2 no N 11 . 7061 PTR 12 . SING CB HB3 no N 12 . 7061 PTR 13 . DOUB CG CD1 yes N 13 . 7061 PTR 14 . SING CG CD2 yes N 14 . 7061 PTR 15 . SING CD1 CE1 yes N 15 . 7061 PTR 16 . SING CD1 HD1 no N 16 . 7061 PTR 17 . DOUB CD2 CE2 yes N 17 . 7061 PTR 18 . SING CD2 HD2 no N 18 . 7061 PTR 19 . DOUB CE1 CZ yes N 19 . 7061 PTR 20 . SING CE1 HE1 no N 20 . 7061 PTR 21 . SING CE2 CZ yes N 21 . 7061 PTR 22 . SING CE2 HE2 no N 22 . 7061 PTR 23 . SING CZ OH no N 23 . 7061 PTR 24 . SING OH P no N 24 . 7061 PTR 25 . DOUB P O1P no N 25 . 7061 PTR 26 . SING P O2P no N 26 . 7061 PTR 27 . SING P O3P no N 27 . 7061 PTR 28 . SING O2P HO2P no N 28 . 7061 PTR 29 . SING O3P HO3P no N 29 . 7061 PTR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7061 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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-1 '[U-13C; U-15N]' . . 1 $Talin-1 . . 1 . . mM . . . . 7061 1 2 SWVXSPLH . . . 2 $SWVXSPLH . . 1 . . mM . . . . 7061 1 3 'phosphate buffer' . . . . . . . 20 . . mM . . . . 7061 1 4 Ca2+ . . . . . . . 5 . . mM . . . . 7061 1 5 D2O . . . . . . . 10 . . % . . . . 7061 1 6 H2O . . . . . . . 90 . . % . . . . 7061 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7061 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.3 . pH 7061 1 temperature 298 . K 7061 1 stop_ save_ ############################ # Computer software used # ############################ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 7061 _Software.ID 1 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7061 1 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 7061 _Software.ID 2 _Software.Name X-PLOR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7061 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7061 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7061 _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 NMR_spectrometer VARIAN INOVA . 600 . . . 7061 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 7061 _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 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7061 1 2 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7061 1 3 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7061 1 4 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7061 1 5 'edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7061 1 6 'filtered NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7061 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7061 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7061 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7061 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7061 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7061 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 7061 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 LEU H H 1 7.3200 . . . . . . . . . . . 7061 1 2 . 1 1 1 1 LEU HA H 1 4.2700 . . . . . . . . . . . 7061 1 3 . 1 1 1 1 LEU HB2 H 1 -0.1000 . . . . . . . . . . . 7061 1 4 . 1 1 1 1 LEU HB3 H 1 0.6000 . . . . . . . . . . . 7061 1 5 . 1 1 1 1 LEU HG H 1 1.2200 . . . . . . . . . . . 7061 1 6 . 1 1 1 1 LEU HD11 H 1 0.0500 . . . . . . . . . . . 7061 1 7 . 1 1 1 1 LEU HD12 H 1 0.0500 . . . . . . . . . . . 7061 1 8 . 1 1 1 1 LEU HD13 H 1 0.0500 . . . . . . . . . . . 7061 1 9 . 1 1 1 1 LEU HD21 H 1 0.3700 . . . . . . . . . . . 7061 1 10 . 1 1 1 1 LEU HD22 H 1 0.3700 . . . . . . . . . . . 7061 1 11 . 1 1 1 1 LEU HD23 H 1 0.3700 . . . . . . . . . . . 7061 1 12 . 1 1 1 1 LEU CA C 13 56.2300 . . . . . . . . . . . 7061 1 13 . 1 1 1 1 LEU CB C 13 41.3800 . . . . . . . . . . . 7061 1 14 . 1 1 1 1 LEU CG C 13 26.0900 . . . . . . . . . . . 7061 1 15 . 1 1 1 1 LEU CD1 C 13 24.6200 . . . . . . . . . . . 7061 1 16 . 1 1 1 1 LEU CD2 C 13 21.6700 . . . . . . . . . . . 7061 1 17 . 1 1 1 1 LEU N N 15 120.4000 . . . . . . . . . . . 7061 1 18 . 1 1 2 2 LYS H H 1 8.5000 . . . . . . . . . . . 7061 1 19 . 1 1 2 2 LYS HA H 1 4.2200 . . . . . . . . . . . 7061 1 20 . 1 1 2 2 LYS HB2 H 1 1.8000 . . . . . . . . . . . 7061 1 21 . 1 1 2 2 LYS HB3 H 1 1.8800 . . . . . . . . . . . 7061 1 22 . 1 1 2 2 LYS HG2 H 1 1.4400 . . . . . . . . . . . 7061 1 23 . 1 1 2 2 LYS HG3 H 1 1.4400 . . . . . . . . . . . 7061 1 24 . 1 1 2 2 LYS HD2 H 1 1.6700 . . . . . . . . . . . 7061 1 25 . 1 1 2 2 LYS HD3 H 1 1.6700 . . . . . . . . . . . 7061 1 26 . 1 1 2 2 LYS HE2 H 1 2.9800 . . . . . . . . . . . 7061 1 27 . 1 1 2 2 LYS HE3 H 1 2.9800 . . . . . . . . . . . 7061 1 28 . 1 1 2 2 LYS CA C 13 56.7400 . . . . . . . . . . . 7061 1 29 . 1 1 2 2 LYS CB C 13 32.3900 . . . . . . . . . . . 7061 1 30 . 1 1 2 2 LYS CG C 13 24.5000 . . . . . . . . . . . 7061 1 31 . 1 1 2 2 LYS CD C 13 28.9200 . . . . . . . . . . . 7061 1 32 . 1 1 2 2 LYS CE C 13 42.1900 . . . . . . . . . . . 7061 1 33 . 1 1 2 2 LYS N N 15 120.6600 . . . . . . . . . . . 7061 1 34 . 1 1 3 3 THR H H 1 7.9200 . . . . . . . . . . . 7061 1 35 . 1 1 3 3 THR HA H 1 4.2500 . . . . . . . . . . . 7061 1 36 . 1 1 3 3 THR HB H 1 4.2300 . . . . . . . . . . . 7061 1 37 . 1 1 3 3 THR HG21 H 1 1.1200 . . . . . . . . . . . 7061 1 38 . 1 1 3 3 THR HG22 H 1 1.1200 . . . . . . . . . . . 7061 1 39 . 1 1 3 3 THR HG23 H 1 1.1200 . . . . . . . . . . . 7061 1 40 . 1 1 3 3 THR CA C 13 61.5600 . . . . . . . . . . . 7061 1 41 . 1 1 3 3 THR CB C 13 69.4000 . . . . . . . . . . . 7061 1 42 . 1 1 3 3 THR CG2 C 13 21.5500 . . . . . . . . . . . 7061 1 43 . 1 1 3 3 THR N N 15 112.5300 . . . . . . . . . . . 7061 1 44 . 1 1 4 4 TYR H H 1 7.9800 . . . . . . . . . . . 7061 1 45 . 1 1 4 4 TYR HA H 1 4.5700 . . . . . . . . . . . 7061 1 46 . 1 1 4 4 TYR HB2 H 1 3.0500 . . . . . . . . . . . 7061 1 47 . 1 1 4 4 TYR HB3 H 1 2.9600 . . . . . . . . . . . 7061 1 48 . 1 1 4 4 TYR HD1 H 1 7.1000 . . . . . . . . . . . 7061 1 49 . 1 1 4 4 TYR HD2 H 1 7.1000 . . . . . . . . . . . 7061 1 50 . 1 1 4 4 TYR HE1 H 1 6.7800 . . . . . . . . . . . 7061 1 51 . 1 1 4 4 TYR HE2 H 1 6.7800 . . . . . . . . . . . 7061 1 52 . 1 1 4 4 TYR CA C 13 57.9300 . . . . . . . . . . . 7061 1 53 . 1 1 4 4 TYR CB C 13 38.5100 . . . . . . . . . . . 7061 1 54 . 1 1 4 4 TYR CD1 C 13 132.6700 . . . . . . . . . . . 7061 1 55 . 1 1 4 4 TYR CD2 C 13 132.6700 . . . . . . . . . . . 7061 1 56 . 1 1 4 4 TYR CE1 C 13 117.8700 . . . . . . . . . . . 7061 1 57 . 1 1 4 4 TYR CE2 C 13 117.8700 . . . . . . . . . . . 7061 1 58 . 1 1 4 4 TYR N N 15 122.8800 . . . . . . . . . . . 7061 1 59 . 1 1 5 5 GLY H H 1 8.3500 . . . . . . . . . . . 7061 1 60 . 1 1 5 5 GLY HA2 H 1 3.8000 . . . . . . . . . . . 7061 1 61 . 1 1 5 5 GLY HA3 H 1 3.8000 . . . . . . . . . . . 7061 1 62 . 1 1 5 5 GLY CA C 13 45.3200 . . . . . . . . . . . 7061 1 63 . 1 1 5 5 GLY N N 15 111.4200 . . . . . . . . . . . 7061 1 64 . 1 1 6 6 VAL H H 1 7.6500 . . . . . . . . . . . 7061 1 65 . 1 1 6 6 VAL HA H 1 4.0800 . . . . . . . . . . . 7061 1 66 . 1 1 6 6 VAL HB H 1 1.5400 . . . . . . . . . . . 7061 1 67 . 1 1 6 6 VAL HG11 H 1 0.0800 . . . . . . . . . . . 7061 1 68 . 1 1 6 6 VAL HG12 H 1 0.0800 . . . . . . . . . . . 7061 1 69 . 1 1 6 6 VAL HG13 H 1 0.0800 . . . . . . . . . . . 7061 1 70 . 1 1 6 6 VAL HG21 H 1 0.3600 . . . . . . . . . . . 7061 1 71 . 1 1 6 6 VAL HG22 H 1 0.3600 . . . . . . . . . . . 7061 1 72 . 1 1 6 6 VAL HG23 H 1 0.3600 . . . . . . . . . . . 7061 1 73 . 1 1 6 6 VAL CA C 13 60.7000 . . . . . . . . . . . 7061 1 74 . 1 1 6 6 VAL CB C 13 33.3200 . . . . . . . . . . . 7061 1 75 . 1 1 6 6 VAL CG1 C 13 20.3700 . . . . . . . . . . . 7061 1 76 . 1 1 6 6 VAL CG2 C 13 20.3700 . . . . . . . . . . . 7061 1 77 . 1 1 6 6 VAL N N 15 120.8300 . . . . . . . . . . . 7061 1 78 . 1 1 7 7 SER H H 1 8.0000 . . . . . . . . . . . 7061 1 79 . 1 1 7 7 SER HA H 1 4.5600 . . . . . . . . . . . 7061 1 80 . 1 1 7 7 SER HB2 H 1 3.6500 . . . . . . . . . . . 7061 1 81 . 1 1 7 7 SER HB3 H 1 3.6500 . . . . . . . . . . . 7061 1 82 . 1 1 7 7 SER CA C 13 57.5500 . . . . . . . . . . . 7061 1 83 . 1 1 7 7 SER CB C 13 63.9400 . . . . . . . . . . . 7061 1 84 . 1 1 7 7 SER N N 15 123.3500 . . . . . . . . . . . 7061 1 85 . 1 1 8 8 PHE H H 1 8.5600 . . . . . . . . . . . 7061 1 86 . 1 1 8 8 PHE HA H 1 5.6300 . . . . . . . . . . . 7061 1 87 . 1 1 8 8 PHE HB2 H 1 2.7800 . . . . . . . . . . . 7061 1 88 . 1 1 8 8 PHE HB3 H 1 2.7800 . . . . . . . . . . . 7061 1 89 . 1 1 8 8 PHE HD1 H 1 6.7500 . . . . . . . . . . . 7061 1 90 . 1 1 8 8 PHE HD2 H 1 6.7500 . . . . . . . . . . . 7061 1 91 . 1 1 8 8 PHE HE1 H 1 7.1700 . . . . . . . . . . . 7061 1 92 . 1 1 8 8 PHE HE2 H 1 7.1700 . . . . . . . . . . . 7061 1 93 . 1 1 8 8 PHE HZ H 1 7.2700 . . . . . . . . . . . 7061 1 94 . 1 1 8 8 PHE CA C 13 57.1400 . . . . . . . . . . . 7061 1 95 . 1 1 8 8 PHE CB C 13 42.6700 . . . . . . . . . . . 7061 1 96 . 1 1 8 8 PHE CD1 C 13 131.3200 . . . . . . . . . . . 7061 1 97 . 1 1 8 8 PHE CD2 C 13 131.3200 . . . . . . . . . . . 7061 1 98 . 1 1 8 8 PHE CE1 C 13 129.4800 . . . . . . . . . . . 7061 1 99 . 1 1 8 8 PHE CE2 C 13 129.4800 . . . . . . . . . . . 7061 1 100 . 1 1 8 8 PHE CZ C 13 130.9500 . . . . . . . . . . . 7061 1 101 . 1 1 8 8 PHE N N 15 122.7500 . . . . . . . . . . . 7061 1 102 . 1 1 9 9 PHE H H 1 9.2000 . . . . . . . . . . . 7061 1 103 . 1 1 9 9 PHE HA H 1 4.6300 . . . . . . . . . . . 7061 1 104 . 1 1 9 9 PHE HB2 H 1 2.7000 . . . . . . . . . . . 7061 1 105 . 1 1 9 9 PHE HB3 H 1 3.0600 . . . . . . . . . . . 7061 1 106 . 1 1 9 9 PHE HD1 H 1 7.2000 . . . . . . . . . . . 7061 1 107 . 1 1 9 9 PHE HD2 H 1 7.2000 . . . . . . . . . . . 7061 1 108 . 1 1 9 9 PHE HE1 H 1 6.9700 . . . . . . . . . . . 7061 1 109 . 1 1 9 9 PHE HE2 H 1 6.9700 . . . . . . . . . . . 7061 1 110 . 1 1 9 9 PHE HZ H 1 7.1700 . . . . . . . . . . . 7061 1 111 . 1 1 9 9 PHE CA C 13 56.7600 . . . . . . . . . . . 7061 1 112 . 1 1 9 9 PHE CB C 13 41.7800 . . . . . . . . . . . 7061 1 113 . 1 1 9 9 PHE CD1 C 13 132.1000 . . . . . . . . . . . 7061 1 114 . 1 1 9 9 PHE CD2 C 13 132.1000 . . . . . . . . . . . 7061 1 115 . 1 1 9 9 PHE CE1 C 13 130.5400 . . . . . . . . . . . 7061 1 116 . 1 1 9 9 PHE CE2 C 13 130.5400 . . . . . . . . . . . 7061 1 117 . 1 1 9 9 PHE CZ C 13 130.9500 . . . . . . . . . . . 7061 1 118 . 1 1 9 9 PHE N N 15 120.1800 . . . . . . . . . . . 7061 1 119 . 1 1 10 10 LEU H H 1 9.4600 . . . . . . . . . . . 7061 1 120 . 1 1 10 10 LEU HA H 1 4.9400 . . . . . . . . . . . 7061 1 121 . 1 1 10 10 LEU HB2 H 1 1.4300 . . . . . . . . . . . 7061 1 122 . 1 1 10 10 LEU HB3 H 1 2.0200 . . . . . . . . . . . 7061 1 123 . 1 1 10 10 LEU HG H 1 1.5700 . . . . . . . . . . . 7061 1 124 . 1 1 10 10 LEU HD11 H 1 0.9200 . . . . . . . . . . . 7061 1 125 . 1 1 10 10 LEU HD12 H 1 0.9200 . . . . . . . . . . . 7061 1 126 . 1 1 10 10 LEU HD13 H 1 0.9200 . . . . . . . . . . . 7061 1 127 . 1 1 10 10 LEU HD21 H 1 0.9200 . . . . . . . . . . . 7061 1 128 . 1 1 10 10 LEU HD22 H 1 0.9200 . . . . . . . . . . . 7061 1 129 . 1 1 10 10 LEU HD23 H 1 0.9200 . . . . . . . . . . . 7061 1 130 . 1 1 10 10 LEU CA C 13 55.3400 . . . . . . . . . . . 7061 1 131 . 1 1 10 10 LEU CB C 13 41.3800 . . . . . . . . . . . 7061 1 132 . 1 1 10 10 LEU CG C 13 25.7000 . . . . . . . . . . . 7061 1 133 . 1 1 10 10 LEU CD1 C 13 25.2500 . . . . . . . . . . . 7061 1 134 . 1 1 10 10 LEU CD2 C 13 22.9100 . . . . . . . . . . . 7061 1 135 . 1 1 10 10 LEU N N 15 127.6100 . . . . . . . . . . . 7061 1 136 . 1 1 11 11 VAL H H 1 9.3300 . . . . . . . . . . . 7061 1 137 . 1 1 11 11 VAL HA H 1 5.1100 . . . . . . . . . . . 7061 1 138 . 1 1 11 11 VAL HB H 1 2.2100 . . . . . . . . . . . 7061 1 139 . 1 1 11 11 VAL HG11 H 1 0.9300 . . . . . . . . . . . 7061 1 140 . 1 1 11 11 VAL HG12 H 1 0.9300 . . . . . . . . . . . 7061 1 141 . 1 1 11 11 VAL HG13 H 1 0.9300 . . . . . . . . . . . 7061 1 142 . 1 1 11 11 VAL HG21 H 1 0.9300 . . . . . . . . . . . 7061 1 143 . 1 1 11 11 VAL HG22 H 1 0.9300 . . . . . . . . . . . 7061 1 144 . 1 1 11 11 VAL HG23 H 1 0.9300 . . . . . . . . . . . 7061 1 145 . 1 1 11 11 VAL CA C 13 58.7000 . . . . . . . . . . . 7061 1 146 . 1 1 11 11 VAL CB C 13 35.3400 . . . . . . . . . . . 7061 1 147 . 1 1 11 11 VAL CG1 C 13 18.4900 . . . . . . . . . . . 7061 1 148 . 1 1 11 11 VAL CG2 C 13 21.0000 . . . . . . . . . . . 7061 1 149 . 1 1 11 11 VAL N N 15 124.1000 . . . . . . . . . . . 7061 1 150 . 1 1 12 12 LYS H H 1 8.3400 . . . . . . . . . . . 7061 1 151 . 1 1 12 12 LYS HA H 1 5.2500 . . . . . . . . . . . 7061 1 152 . 1 1 12 12 LYS HB2 H 1 1.5600 . . . . . . . . . . . 7061 1 153 . 1 1 12 12 LYS HB3 H 1 1.7100 . . . . . . . . . . . 7061 1 154 . 1 1 12 12 LYS HG2 H 1 1.1900 . . . . . . . . . . . 7061 1 155 . 1 1 12 12 LYS HG3 H 1 1.1900 . . . . . . . . . . . 7061 1 156 . 1 1 12 12 LYS HD2 H 1 1.5600 . . . . . . . . . . . 7061 1 157 . 1 1 12 12 LYS HD3 H 1 1.5600 . . . . . . . . . . . 7061 1 158 . 1 1 12 12 LYS HE2 H 1 2.8600 . . . . . . . . . . . 7061 1 159 . 1 1 12 12 LYS HE3 H 1 2.8600 . . . . . . . . . . . 7061 1 160 . 1 1 12 12 LYS CA C 13 54.9500 . . . . . . . . . . . 7061 1 161 . 1 1 12 12 LYS CB C 13 36.1300 . . . . . . . . . . . 7061 1 162 . 1 1 12 12 LYS CG C 13 25.4800 . . . . . . . . . . . 7061 1 163 . 1 1 12 12 LYS CD C 13 29.4500 . . . . . . . . . . . 7061 1 164 . 1 1 12 12 LYS CE C 13 44.6000 . . . . . . . . . . . 7061 1 165 . 1 1 12 12 LYS N N 15 116.7200 . . . . . . . . . . . 7061 1 166 . 1 1 13 13 GLU H H 1 9.1900 . . . . . . . . . . . 7061 1 167 . 1 1 13 13 GLU HA H 1 4.7700 . . . . . . . . . . . 7061 1 168 . 1 1 13 13 GLU HB2 H 1 2.0800 . . . . . . . . . . . 7061 1 169 . 1 1 13 13 GLU HB3 H 1 2.1400 . . . . . . . . . . . 7061 1 170 . 1 1 13 13 GLU HG2 H 1 2.3400 . . . . . . . . . . . 7061 1 171 . 1 1 13 13 GLU HG3 H 1 2.4700 . . . . . . . . . . . 7061 1 172 . 1 1 13 13 GLU CA C 13 53.9800 . . . . . . . . . . . 7061 1 173 . 1 1 13 13 GLU CB C 13 33.0700 . . . . . . . . . . . 7061 1 174 . 1 1 13 13 GLU CG C 13 36.2700 . . . . . . . . . . . 7061 1 175 . 1 1 13 13 GLU N N 15 123.1000 . . . . . . . . . . . 7061 1 176 . 1 1 14 14 LYS H H 1 8.8400 . . . . . . . . . . . 7061 1 177 . 1 1 14 14 LYS HA H 1 4.6500 . . . . . . . . . . . 7061 1 178 . 1 1 14 14 LYS HB2 H 1 1.5900 . . . . . . . . . . . 7061 1 179 . 1 1 14 14 LYS HB3 H 1 1.8200 . . . . . . . . . . . 7061 1 180 . 1 1 14 14 LYS HG2 H 1 1.3500 . . . . . . . . . . . 7061 1 181 . 1 1 14 14 LYS HG3 H 1 1.5200 . . . . . . . . . . . 7061 1 182 . 1 1 14 14 LYS HD2 H 1 0.0300 . . . . . . . . . . . 7061 1 183 . 1 1 14 14 LYS HD3 H 1 0.9600 . . . . . . . . . . . 7061 1 184 . 1 1 14 14 LYS HE2 H 1 2.7700 . . . . . . . . . . . 7061 1 185 . 1 1 14 14 LYS HE3 H 1 2.7700 . . . . . . . . . . . 7061 1 186 . 1 1 14 14 LYS CA C 13 55.7100 . . . . . . . . . . . 7061 1 187 . 1 1 14 14 LYS CB C 13 33.0400 . . . . . . . . . . . 7061 1 188 . 1 1 14 14 LYS CG C 13 24.6100 . . . . . . . . . . . 7061 1 189 . 1 1 14 14 LYS CD C 13 29.0300 . . . . . . . . . . . 7061 1 190 . 1 1 14 14 LYS CE C 13 42.1000 . . . . . . . . . . . 7061 1 191 . 1 1 14 14 LYS N N 15 124.2300 . . . . . . . . . . . 7061 1 192 . 1 1 15 15 MET H H 1 8.9100 . . . . . . . . . . . 7061 1 193 . 1 1 15 15 MET HA H 1 4.6200 . . . . . . . . . . . 7061 1 194 . 1 1 15 15 MET HB2 H 1 2.1000 . . . . . . . . . . . 7061 1 195 . 1 1 15 15 MET HB3 H 1 1.9000 . . . . . . . . . . . 7061 1 196 . 1 1 15 15 MET HG2 H 1 2.5900 . . . . . . . . . . . 7061 1 197 . 1 1 15 15 MET HG3 H 1 2.5900 . . . . . . . . . . . 7061 1 198 . 1 1 15 15 MET HE1 H 1 1.8000 . . . . . . . . . . . 7061 1 199 . 1 1 15 15 MET HE2 H 1 1.8000 . . . . . . . . . . . 7061 1 200 . 1 1 15 15 MET HE3 H 1 1.8000 . . . . . . . . . . . 7061 1 201 . 1 1 15 15 MET CA C 13 54.7300 . . . . . . . . . . . 7061 1 202 . 1 1 15 15 MET CB C 13 34.3200 . . . . . . . . . . . 7061 1 203 . 1 1 15 15 MET CG C 13 32.1900 . . . . . . . . . . . 7061 1 204 . 1 1 15 15 MET CE C 13 16.2000 . . . . . . . . . . . 7061 1 205 . 1 1 15 15 MET N N 15 127.0900 . . . . . . . . . . . 7061 1 206 . 1 1 16 16 LYS H H 1 8.6700 . . . . . . . . . . . 7061 1 207 . 1 1 16 16 LYS HA H 1 4.1500 . . . . . . . . . . . 7061 1 208 . 1 1 16 16 LYS HB2 H 1 1.8500 . . . . . . . . . . . 7061 1 209 . 1 1 16 16 LYS HB3 H 1 1.9200 . . . . . . . . . . . 7061 1 210 . 1 1 16 16 LYS HG2 H 1 1.4400 . . . . . . . . . . . 7061 1 211 . 1 1 16 16 LYS HG3 H 1 1.5500 . . . . . . . . . . . 7061 1 212 . 1 1 16 16 LYS HD2 H 1 1.6700 . . . . . . . . . . . 7061 1 213 . 1 1 16 16 LYS HD3 H 1 1.7600 . . . . . . . . . . . 7061 1 214 . 1 1 16 16 LYS HE2 H 1 3.0100 . . . . . . . . . . . 7061 1 215 . 1 1 16 16 LYS HE3 H 1 3.0100 . . . . . . . . . . . 7061 1 216 . 1 1 16 16 LYS CA C 13 57.9300 . . . . . . . . . . . 7061 1 217 . 1 1 16 16 LYS CB C 13 32.2700 . . . . . . . . . . . 7061 1 218 . 1 1 16 16 LYS CG C 13 24.6700 . . . . . . . . . . . 7061 1 219 . 1 1 16 16 LYS CD C 13 29.1700 . . . . . . . . . . . 7061 1 220 . 1 1 16 16 LYS CE C 13 42.3900 . . . . . . . . . . . 7061 1 221 . 1 1 16 16 LYS N N 15 125.2800 . . . . . . . . . . . 7061 1 222 . 1 1 17 17 GLY H H 1 8.9300 . . . . . . . . . . . 7061 1 223 . 1 1 17 17 GLY HA2 H 1 3.7800 . . . . . . . . . . . 7061 1 224 . 1 1 17 17 GLY HA3 H 1 4.1700 . . . . . . . . . . . 7061 1 225 . 1 1 17 17 GLY CA C 13 45.4700 . . . . . . . . . . . 7061 1 226 . 1 1 17 17 GLY N N 15 113.4100 . . . . . . . . . . . 7061 1 227 . 1 1 18 18 LYS H H 1 7.7100 . . . . . . . . . . . 7061 1 228 . 1 1 18 18 LYS HA H 1 4.6400 . . . . . . . . . . . 7061 1 229 . 1 1 18 18 LYS HB2 H 1 1.9000 . . . . . . . . . . . 7061 1 230 . 1 1 18 18 LYS HB3 H 1 1.7400 . . . . . . . . . . . 7061 1 231 . 1 1 18 18 LYS HG2 H 1 1.3600 . . . . . . . . . . . 7061 1 232 . 1 1 18 18 LYS HG3 H 1 1.4300 . . . . . . . . . . . 7061 1 233 . 1 1 18 18 LYS HD2 H 1 1.6700 . . . . . . . . . . . 7061 1 234 . 1 1 18 18 LYS HD3 H 1 1.7200 . . . . . . . . . . . 7061 1 235 . 1 1 18 18 LYS HE2 H 1 2.9900 . . . . . . . . . . . 7061 1 236 . 1 1 18 18 LYS HE3 H 1 2.9900 . . . . . . . . . . . 7061 1 237 . 1 1 18 18 LYS CA C 13 54.6000 . . . . . . . . . . . 7061 1 238 . 1 1 18 18 LYS CB C 13 34.9000 . . . . . . . . . . . 7061 1 239 . 1 1 18 18 LYS CG C 13 24.6900 . . . . . . . . . . . 7061 1 240 . 1 1 18 18 LYS CD C 13 28.8100 . . . . . . . . . . . 7061 1 241 . 1 1 18 18 LYS CE C 13 42.4500 . . . . . . . . . . . 7061 1 242 . 1 1 18 18 LYS N N 15 118.9200 . . . . . . . . . . . 7061 1 243 . 1 1 19 19 ASN HA H 1 4.7000 . . . . . . . . . . . 7061 1 244 . 1 1 19 19 ASN HB2 H 1 2.8800 . . . . . . . . . . . 7061 1 245 . 1 1 19 19 ASN HB3 H 1 2.7600 . . . . . . . . . . . 7061 1 246 . 1 1 19 19 ASN HD21 H 1 6.9300 . . . . . . . . . . . 7061 1 247 . 1 1 19 19 ASN HD22 H 1 7.6400 . . . . . . . . . . . 7061 1 248 . 1 1 19 19 ASN CA C 13 53.2400 . . . . . . . . . . . 7061 1 249 . 1 1 19 19 ASN CB C 13 37.9700 . . . . . . . . . . . 7061 1 250 . 1 1 19 19 ASN ND2 N 15 113.2300 . . . . . . . . . . . 7061 1 251 . 1 1 20 20 LYS H H 1 7.4700 . . . . . . . . . . . 7061 1 252 . 1 1 20 20 LYS HA H 1 4.4800 . . . . . . . . . . . 7061 1 253 . 1 1 20 20 LYS HB2 H 1 1.7000 . . . . . . . . . . . 7061 1 254 . 1 1 20 20 LYS HB3 H 1 1.7600 . . . . . . . . . . . 7061 1 255 . 1 1 20 20 LYS HG2 H 1 1.4000 . . . . . . . . . . . 7061 1 256 . 1 1 20 20 LYS HG3 H 1 1.4000 . . . . . . . . . . . 7061 1 257 . 1 1 20 20 LYS HD2 H 1 1.7000 . . . . . . . . . . . 7061 1 258 . 1 1 20 20 LYS HD3 H 1 1.7000 . . . . . . . . . . . 7061 1 259 . 1 1 20 20 LYS HE2 H 1 2.9900 . . . . . . . . . . . 7061 1 260 . 1 1 20 20 LYS HE3 H 1 2.9900 . . . . . . . . . . . 7061 1 261 . 1 1 20 20 LYS CA C 13 55.3700 . . . . . . . . . . . 7061 1 262 . 1 1 20 20 LYS CB C 13 34.6900 . . . . . . . . . . . 7061 1 263 . 1 1 20 20 LYS CG C 13 24.5800 . . . . . . . . . . . 7061 1 264 . 1 1 20 20 LYS CD C 13 29.0200 . . . . . . . . . . . 7061 1 265 . 1 1 20 20 LYS CE C 13 42.2800 . . . . . . . . . . . 7061 1 266 . 1 1 20 20 LYS N N 15 119.6500 . . . . . . . . . . . 7061 1 267 . 1 1 21 21 LEU H H 1 8.4800 . . . . . . . . . . . 7061 1 268 . 1 1 21 21 LEU HA H 1 4.9600 . . . . . . . . . . . 7061 1 269 . 1 1 21 21 LEU HB2 H 1 1.6800 . . . . . . . . . . . 7061 1 270 . 1 1 21 21 LEU HB3 H 1 1.6800 . . . . . . . . . . . 7061 1 271 . 1 1 21 21 LEU HG H 1 1.2200 . . . . . . . . . . . 7061 1 272 . 1 1 21 21 LEU HD11 H 1 0.8600 . . . . . . . . . . . 7061 1 273 . 1 1 21 21 LEU HD12 H 1 0.8600 . . . . . . . . . . . 7061 1 274 . 1 1 21 21 LEU HD13 H 1 0.8600 . . . . . . . . . . . 7061 1 275 . 1 1 21 21 LEU HD21 H 1 0.7100 . . . . . . . . . . . 7061 1 276 . 1 1 21 21 LEU HD22 H 1 0.7100 . . . . . . . . . . . 7061 1 277 . 1 1 21 21 LEU HD23 H 1 0.7100 . . . . . . . . . . . 7061 1 278 . 1 1 21 21 LEU CA C 13 54.0300 . . . . . . . . . . . 7061 1 279 . 1 1 21 21 LEU CB C 13 43.6700 . . . . . . . . . . . 7061 1 280 . 1 1 21 21 LEU CG C 13 27.0200 . . . . . . . . . . . 7061 1 281 . 1 1 21 21 LEU CD1 C 13 25.7200 . . . . . . . . . . . 7061 1 282 . 1 1 21 21 LEU CD2 C 13 23.3800 . . . . . . . . . . . 7061 1 283 . 1 1 21 21 LEU N N 15 124.3400 . . . . . . . . . . . 7061 1 284 . 1 1 22 22 VAL H H 1 9.2900 . . . . . . . . . . . 7061 1 285 . 1 1 22 22 VAL HA H 1 4.7800 . . . . . . . . . . . 7061 1 286 . 1 1 22 22 VAL HB H 1 2.1800 . . . . . . . . . . . 7061 1 287 . 1 1 22 22 VAL HG11 H 1 1.0100 . . . . . . . . . . . 7061 1 288 . 1 1 22 22 VAL HG12 H 1 1.0100 . . . . . . . . . . . 7061 1 289 . 1 1 22 22 VAL HG13 H 1 1.0100 . . . . . . . . . . . 7061 1 290 . 1 1 22 22 VAL HG21 H 1 1.0100 . . . . . . . . . . . 7061 1 291 . 1 1 22 22 VAL HG22 H 1 1.0100 . . . . . . . . . . . 7061 1 292 . 1 1 22 22 VAL HG23 H 1 1.0100 . . . . . . . . . . . 7061 1 293 . 1 1 22 22 VAL CA C 13 58.5000 . . . . . . . . . . . 7061 1 294 . 1 1 22 22 VAL CB C 13 34.8300 . . . . . . . . . . . 7061 1 295 . 1 1 22 22 VAL CG1 C 13 19.4600 . . . . . . . . . . . 7061 1 296 . 1 1 22 22 VAL CG2 C 13 20.7100 . . . . . . . . . . . 7061 1 297 . 1 1 22 22 VAL N N 15 122.0900 . . . . . . . . . . . 7061 1 298 . 1 1 23 23 PRO HA H 1 5.0800 . . . . . . . . . . . 7061 1 299 . 1 1 23 23 PRO HB2 H 1 2.2500 . . . . . . . . . . . 7061 1 300 . 1 1 23 23 PRO HB3 H 1 1.9400 . . . . . . . . . . . 7061 1 301 . 1 1 23 23 PRO HG2 H 1 1.9200 . . . . . . . . . . . 7061 1 302 . 1 1 23 23 PRO HG3 H 1 2.2400 . . . . . . . . . . . 7061 1 303 . 1 1 23 23 PRO HD2 H 1 3.8700 . . . . . . . . . . . 7061 1 304 . 1 1 23 23 PRO HD3 H 1 3.9300 . . . . . . . . . . . 7061 1 305 . 1 1 23 23 PRO CA C 13 62.3300 . . . . . . . . . . . 7061 1 306 . 1 1 23 23 PRO CB C 13 32.4900 . . . . . . . . . . . 7061 1 307 . 1 1 23 23 PRO CG C 13 27.8900 . . . . . . . . . . . 7061 1 308 . 1 1 23 23 PRO CD C 13 50.9500 . . . . . . . . . . . 7061 1 309 . 1 1 24 24 ARG H H 1 9.1500 . . . . . . . . . . . 7061 1 310 . 1 1 24 24 ARG HA H 1 4.4900 . . . . . . . . . . . 7061 1 311 . 1 1 24 24 ARG HB2 H 1 1.7000 . . . . . . . . . . . 7061 1 312 . 1 1 24 24 ARG HB3 H 1 1.7800 . . . . . . . . . . . 7061 1 313 . 1 1 24 24 ARG HG2 H 1 1.6200 . . . . . . . . . . . 7061 1 314 . 1 1 24 24 ARG HG3 H 1 1.7700 . . . . . . . . . . . 7061 1 315 . 1 1 24 24 ARG HD2 H 1 2.9000 . . . . . . . . . . . 7061 1 316 . 1 1 24 24 ARG HD3 H 1 3.6600 . . . . . . . . . . . 7061 1 317 . 1 1 24 24 ARG HE H 1 7.2000 . . . . . . . . . . . 7061 1 318 . 1 1 24 24 ARG CA C 13 53.7500 . . . . . . . . . . . 7061 1 319 . 1 1 24 24 ARG CB C 13 34.3200 . . . . . . . . . . . 7061 1 320 . 1 1 24 24 ARG CG C 13 25.7000 . . . . . . . . . . . 7061 1 321 . 1 1 24 24 ARG CD C 13 42.5500 . . . . . . . . . . . 7061 1 322 . 1 1 24 24 ARG N N 15 123.5800 . . . . . . . . . . . 7061 1 323 . 1 1 24 24 ARG NE N 15 85.1300 . . . . . . . . . . . 7061 1 324 . 1 1 25 25 LEU H H 1 8.3600 . . . . . . . . . . . 7061 1 325 . 1 1 25 25 LEU HA H 1 5.3200 . . . . . . . . . . . 7061 1 326 . 1 1 25 25 LEU HB2 H 1 1.0900 . . . . . . . . . . . 7061 1 327 . 1 1 25 25 LEU HB3 H 1 1.6000 . . . . . . . . . . . 7061 1 328 . 1 1 25 25 LEU HG H 1 1.3300 . . . . . . . . . . . 7061 1 329 . 1 1 25 25 LEU HD11 H 1 0.3700 . . . . . . . . . . . 7061 1 330 . 1 1 25 25 LEU HD12 H 1 0.3700 . . . . . . . . . . . 7061 1 331 . 1 1 25 25 LEU HD13 H 1 0.3700 . . . . . . . . . . . 7061 1 332 . 1 1 25 25 LEU HD21 H 1 0.6900 . . . . . . . . . . . 7061 1 333 . 1 1 25 25 LEU HD22 H 1 0.6900 . . . . . . . . . . . 7061 1 334 . 1 1 25 25 LEU HD23 H 1 0.6900 . . . . . . . . . . . 7061 1 335 . 1 1 25 25 LEU CA C 13 53.7500 . . . . . . . . . . . 7061 1 336 . 1 1 25 25 LEU CB C 13 43.5700 . . . . . . . . . . . 7061 1 337 . 1 1 25 25 LEU CG C 13 26.9900 . . . . . . . . . . . 7061 1 338 . 1 1 25 25 LEU CD1 C 13 25.4000 . . . . . . . . . . . 7061 1 339 . 1 1 25 25 LEU CD2 C 13 23.1200 . . . . . . . . . . . 7061 1 340 . 1 1 25 25 LEU N N 15 121.9500 . . . . . . . . . . . 7061 1 341 . 1 1 26 26 LEU H H 1 9.7200 . . . . . . . . . . . 7061 1 342 . 1 1 26 26 LEU HA H 1 5.5700 . . . . . . . . . . . 7061 1 343 . 1 1 26 26 LEU HB2 H 1 1.5900 . . . . . . . . . . . 7061 1 344 . 1 1 26 26 LEU HB3 H 1 2.1500 . . . . . . . . . . . 7061 1 345 . 1 1 26 26 LEU HG H 1 1.6500 . . . . . . . . . . . 7061 1 346 . 1 1 26 26 LEU HD11 H 1 0.9400 . . . . . . . . . . . 7061 1 347 . 1 1 26 26 LEU HD12 H 1 0.9400 . . . . . . . . . . . 7061 1 348 . 1 1 26 26 LEU HD13 H 1 0.9400 . . . . . . . . . . . 7061 1 349 . 1 1 26 26 LEU HD21 H 1 1.2300 . . . . . . . . . . . 7061 1 350 . 1 1 26 26 LEU HD22 H 1 1.2300 . . . . . . . . . . . 7061 1 351 . 1 1 26 26 LEU HD23 H 1 1.2300 . . . . . . . . . . . 7061 1 352 . 1 1 26 26 LEU CA C 13 53.3700 . . . . . . . . . . . 7061 1 353 . 1 1 26 26 LEU CB C 13 45.4900 . . . . . . . . . . . 7061 1 354 . 1 1 26 26 LEU CG C 13 27.7700 . . . . . . . . . . . 7061 1 355 . 1 1 26 26 LEU CD1 C 13 26.4200 . . . . . . . . . . . 7061 1 356 . 1 1 26 26 LEU CD2 C 13 24.8500 . . . . . . . . . . . 7061 1 357 . 1 1 26 26 LEU N N 15 127.2000 . . . . . . . . . . . 7061 1 358 . 1 1 27 27 GLY H H 1 9.8100 . . . . . . . . . . . 7061 1 359 . 1 1 27 27 GLY HA2 H 1 2.8800 . . . . . . . . . . . 7061 1 360 . 1 1 27 27 GLY HA3 H 1 5.2500 . . . . . . . . . . . 7061 1 361 . 1 1 27 27 GLY CA C 13 44.5700 . . . . . . . . . . . 7061 1 362 . 1 1 27 27 GLY N N 15 113.6700 . . . . . . . . . . . 7061 1 363 . 1 1 28 28 ILE H H 1 8.8500 . . . . . . . . . . . 7061 1 364 . 1 1 28 28 ILE HA H 1 5.0300 . . . . . . . . . . . 7061 1 365 . 1 1 28 28 ILE HB H 1 1.9600 . . . . . . . . . . . 7061 1 366 . 1 1 28 28 ILE HG12 H 1 1.3900 . . . . . . . . . . . 7061 1 367 . 1 1 28 28 ILE HG13 H 1 1.5300 . . . . . . . . . . . 7061 1 368 . 1 1 28 28 ILE HG21 H 1 1.0500 . . . . . . . . . . . 7061 1 369 . 1 1 28 28 ILE HG22 H 1 1.0500 . . . . . . . . . . . 7061 1 370 . 1 1 28 28 ILE HG23 H 1 1.0500 . . . . . . . . . . . 7061 1 371 . 1 1 28 28 ILE HD11 H 1 0.8300 . . . . . . . . . . . 7061 1 372 . 1 1 28 28 ILE HD12 H 1 0.8300 . . . . . . . . . . . 7061 1 373 . 1 1 28 28 ILE HD13 H 1 0.8300 . . . . . . . . . . . 7061 1 374 . 1 1 28 28 ILE CA C 13 60.0700 . . . . . . . . . . . 7061 1 375 . 1 1 28 28 ILE CB C 13 40.1400 . . . . . . . . . . . 7061 1 376 . 1 1 28 28 ILE CG1 C 13 28.0800 . . . . . . . . . . . 7061 1 377 . 1 1 28 28 ILE CG2 C 13 18.6900 . . . . . . . . . . . 7061 1 378 . 1 1 28 28 ILE CD1 C 13 13.9300 . . . . . . . . . . . 7061 1 379 . 1 1 28 28 ILE N N 15 123.6000 . . . . . . . . . . . 7061 1 380 . 1 1 29 29 THR H H 1 9.2300 . . . . . . . . . . . 7061 1 381 . 1 1 29 29 THR HA H 1 4.8600 . . . . . . . . . . . 7061 1 382 . 1 1 29 29 THR HB H 1 4.5900 . . . . . . . . . . . 7061 1 383 . 1 1 29 29 THR HG21 H 1 1.0800 . . . . . . . . . . . 7061 1 384 . 1 1 29 29 THR HG22 H 1 1.0800 . . . . . . . . . . . 7061 1 385 . 1 1 29 29 THR HG23 H 1 1.0800 . . . . . . . . . . . 7061 1 386 . 1 1 29 29 THR CA C 13 58.3200 . . . . . . . . . . . 7061 1 387 . 1 1 29 29 THR CB C 13 71.8200 . . . . . . . . . . . 7061 1 388 . 1 1 29 29 THR CG2 C 13 22.4100 . . . . . . . . . . . 7061 1 389 . 1 1 29 29 THR N N 15 121.6600 . . . . . . . . . . . 7061 1 390 . 1 1 30 30 LYS H H 1 7.8700 . . . . . . . . . . . 7061 1 391 . 1 1 30 30 LYS HA H 1 4.2200 . . . . . . . . . . . 7061 1 392 . 1 1 30 30 LYS HB2 H 1 1.7000 . . . . . . . . . . . 7061 1 393 . 1 1 30 30 LYS HB3 H 1 1.7000 . . . . . . . . . . . 7061 1 394 . 1 1 30 30 LYS HG2 H 1 1.3600 . . . . . . . . . . . 7061 1 395 . 1 1 30 30 LYS HG3 H 1 1.5700 . . . . . . . . . . . 7061 1 396 . 1 1 30 30 LYS HD2 H 1 0.0300 . . . . . . . . . . . 7061 1 397 . 1 1 30 30 LYS HD3 H 1 0.9600 . . . . . . . . . . . 7061 1 398 . 1 1 30 30 LYS HE2 H 1 2.9700 . . . . . . . . . . . 7061 1 399 . 1 1 30 30 LYS HE3 H 1 2.9700 . . . . . . . . . . . 7061 1 400 . 1 1 30 30 LYS CA C 13 57.3700 . . . . . . . . . . . 7061 1 401 . 1 1 30 30 LYS CB C 13 32.1200 . . . . . . . . . . . 7061 1 402 . 1 1 30 30 LYS CG C 13 24.6400 . . . . . . . . . . . 7061 1 403 . 1 1 30 30 LYS CD C 13 28.4900 . . . . . . . . . . . 7061 1 404 . 1 1 30 30 LYS CE C 13 42.1800 . . . . . . . . . . . 7061 1 405 . 1 1 30 30 LYS N N 15 112.1900 . . . . . . . . . . . 7061 1 406 . 1 1 31 31 GLU H H 1 7.9100 . . . . . . . . . . . 7061 1 407 . 1 1 31 31 GLU HA H 1 4.5700 . . . . . . . . . . . 7061 1 408 . 1 1 31 31 GLU HB2 H 1 1.8200 . . . . . . . . . . . 7061 1 409 . 1 1 31 31 GLU HB3 H 1 1.8200 . . . . . . . . . . . 7061 1 410 . 1 1 31 31 GLU HG2 H 1 2.1500 . . . . . . . . . . . 7061 1 411 . 1 1 31 31 GLU HG3 H 1 2.1500 . . . . . . . . . . . 7061 1 412 . 1 1 31 31 GLU CA C 13 56.6500 . . . . . . . . . . . 7061 1 413 . 1 1 31 31 GLU CB C 13 33.2400 . . . . . . . . . . . 7061 1 414 . 1 1 31 31 GLU CG C 13 36.4100 . . . . . . . . . . . 7061 1 415 . 1 1 31 31 GLU N N 15 112.9500 . . . . . . . . . . . 7061 1 416 . 1 1 32 32 CYS H H 1 8.1800 . . . . . . . . . . . 7061 1 417 . 1 1 32 32 CYS HA H 1 5.4400 . . . . . . . . . . . 7061 1 418 . 1 1 32 32 CYS HB2 H 1 2.9600 . . . . . . . . . . . 7061 1 419 . 1 1 32 32 CYS HB3 H 1 2.7800 . . . . . . . . . . . 7061 1 420 . 1 1 32 32 CYS CA C 13 56.7600 . . . . . . . . . . . 7061 1 421 . 1 1 32 32 CYS CB C 13 32.4400 . . . . . . . . . . . 7061 1 422 . 1 1 32 32 CYS N N 15 119.1100 . . . . . . . . . . . 7061 1 423 . 1 1 33 33 VAL H H 1 8.9000 . . . . . . . . . . . 7061 1 424 . 1 1 33 33 VAL HA H 1 5.1200 . . . . . . . . . . . 7061 1 425 . 1 1 33 33 VAL HB H 1 2.2000 . . . . . . . . . . . 7061 1 426 . 1 1 33 33 VAL HG11 H 1 1.1800 . . . . . . . . . . . 7061 1 427 . 1 1 33 33 VAL HG12 H 1 1.1800 . . . . . . . . . . . 7061 1 428 . 1 1 33 33 VAL HG13 H 1 1.1800 . . . . . . . . . . . 7061 1 429 . 1 1 33 33 VAL HG21 H 1 1.1100 . . . . . . . . . . . 7061 1 430 . 1 1 33 33 VAL HG22 H 1 1.1100 . . . . . . . . . . . 7061 1 431 . 1 1 33 33 VAL HG23 H 1 1.1100 . . . . . . . . . . . 7061 1 432 . 1 1 33 33 VAL CA C 13 60.5500 . . . . . . . . . . . 7061 1 433 . 1 1 33 33 VAL CB C 13 34.6700 . . . . . . . . . . . 7061 1 434 . 1 1 33 33 VAL CG1 C 13 21.9000 . . . . . . . . . . . 7061 1 435 . 1 1 33 33 VAL CG2 C 13 22.1100 . . . . . . . . . . . 7061 1 436 . 1 1 33 33 VAL N N 15 117.8500 . . . . . . . . . . . 7061 1 437 . 1 1 34 34 MET H H 1 9.8100 . . . . . . . . . . . 7061 1 438 . 1 1 34 34 MET HA H 1 5.3600 . . . . . . . . . . . 7061 1 439 . 1 1 34 34 MET HB2 H 1 1.8400 . . . . . . . . . . . 7061 1 440 . 1 1 34 34 MET HB3 H 1 1.8400 . . . . . . . . . . . 7061 1 441 . 1 1 34 34 MET HG2 H 1 2.4400 . . . . . . . . . . . 7061 1 442 . 1 1 34 34 MET HG3 H 1 2.4400 . . . . . . . . . . . 7061 1 443 . 1 1 34 34 MET HE1 H 1 2.0400 . . . . . . . . . . . 7061 1 444 . 1 1 34 34 MET HE2 H 1 2.0400 . . . . . . . . . . . 7061 1 445 . 1 1 34 34 MET HE3 H 1 2.0400 . . . . . . . . . . . 7061 1 446 . 1 1 34 34 MET CA C 13 54.1100 . . . . . . . . . . . 7061 1 447 . 1 1 34 34 MET CB C 13 37.3800 . . . . . . . . . . . 7061 1 448 . 1 1 34 34 MET CG C 13 31.3500 . . . . . . . . . . . 7061 1 449 . 1 1 34 34 MET CE C 13 16.8900 . . . . . . . . . . . 7061 1 450 . 1 1 34 34 MET N N 15 122.9300 . . . . . . . . . . . 7061 1 451 . 1 1 35 35 ARG H H 1 8.8000 . . . . . . . . . . . 7061 1 452 . 1 1 35 35 ARG HA H 1 4.9900 . . . . . . . . . . . 7061 1 453 . 1 1 35 35 ARG HB2 H 1 1.5100 . . . . . . . . . . . 7061 1 454 . 1 1 35 35 ARG HB3 H 1 1.6900 . . . . . . . . . . . 7061 1 455 . 1 1 35 35 ARG HG2 H 1 1.6900 . . . . . . . . . . . 7061 1 456 . 1 1 35 35 ARG HG3 H 1 1.6900 . . . . . . . . . . . 7061 1 457 . 1 1 35 35 ARG HD2 H 1 3.0600 . . . . . . . . . . . 7061 1 458 . 1 1 35 35 ARG HD3 H 1 3.0600 . . . . . . . . . . . 7061 1 459 . 1 1 35 35 ARG HE H 1 8.8400 . . . . . . . . . . . 7061 1 460 . 1 1 35 35 ARG CA C 13 55.3200 . . . . . . . . . . . 7061 1 461 . 1 1 35 35 ARG CB C 13 33.1500 . . . . . . . . . . . 7061 1 462 . 1 1 35 35 ARG CG C 13 27.0500 . . . . . . . . . . . 7061 1 463 . 1 1 35 35 ARG CD C 13 44.5900 . . . . . . . . . . . 7061 1 464 . 1 1 35 35 ARG N N 15 123.2100 . . . . . . . . . . . 7061 1 465 . 1 1 35 35 ARG NE N 15 85.4200 . . . . . . . . . . . 7061 1 466 . 1 1 36 36 VAL H H 1 9.4200 . . . . . . . . . . . 7061 1 467 . 1 1 36 36 VAL HA H 1 4.8200 . . . . . . . . . . . 7061 1 468 . 1 1 36 36 VAL HB H 1 2.0100 . . . . . . . . . . . 7061 1 469 . 1 1 36 36 VAL HG11 H 1 0.6500 . . . . . . . . . . . 7061 1 470 . 1 1 36 36 VAL HG12 H 1 0.6500 . . . . . . . . . . . 7061 1 471 . 1 1 36 36 VAL HG13 H 1 0.6500 . . . . . . . . . . . 7061 1 472 . 1 1 36 36 VAL HG21 H 1 0.9800 . . . . . . . . . . . 7061 1 473 . 1 1 36 36 VAL HG22 H 1 0.9800 . . . . . . . . . . . 7061 1 474 . 1 1 36 36 VAL HG23 H 1 0.9800 . . . . . . . . . . . 7061 1 475 . 1 1 36 36 VAL CA C 13 60.5400 . . . . . . . . . . . 7061 1 476 . 1 1 36 36 VAL CB C 13 35.3200 . . . . . . . . . . . 7061 1 477 . 1 1 36 36 VAL CG1 C 13 20.4000 . . . . . . . . . . . 7061 1 478 . 1 1 36 36 VAL CG2 C 13 22.7300 . . . . . . . . . . . 7061 1 479 . 1 1 36 36 VAL N N 15 126.5300 . . . . . . . . . . . 7061 1 480 . 1 1 37 37 ASP H H 1 8.7100 . . . . . . . . . . . 7061 1 481 . 1 1 37 37 ASP HA H 1 4.5500 . . . . . . . . . . . 7061 1 482 . 1 1 37 37 ASP HB2 H 1 2.4600 . . . . . . . . . . . 7061 1 483 . 1 1 37 37 ASP HB3 H 1 3.0700 . . . . . . . . . . . 7061 1 484 . 1 1 37 37 ASP CA C 13 55.0200 . . . . . . . . . . . 7061 1 485 . 1 1 37 37 ASP CB C 13 43.6100 . . . . . . . . . . . 7061 1 486 . 1 1 37 37 ASP N N 15 128.0700 . . . . . . . . . . . 7061 1 487 . 1 1 38 38 GLU H H 1 9.2200 . . . . . . . . . . . 7061 1 488 . 1 1 38 38 GLU HA H 1 3.7500 . . . . . . . . . . . 7061 1 489 . 1 1 38 38 GLU HB2 H 1 1.8200 . . . . . . . . . . . 7061 1 490 . 1 1 38 38 GLU HB3 H 1 1.9100 . . . . . . . . . . . 7061 1 491 . 1 1 38 38 GLU HG2 H 1 2.1500 . . . . . . . . . . . 7061 1 492 . 1 1 38 38 GLU HG3 H 1 2.1500 . . . . . . . . . . . 7061 1 493 . 1 1 38 38 GLU CA C 13 58.8600 . . . . . . . . . . . 7061 1 494 . 1 1 38 38 GLU CB C 13 29.3600 . . . . . . . . . . . 7061 1 495 . 1 1 38 38 GLU CG C 13 34.9400 . . . . . . . . . . . 7061 1 496 . 1 1 38 38 GLU N N 15 128.8300 . . . . . . . . . . . 7061 1 497 . 1 1 39 39 LYS H H 1 8.4900 . . . . . . . . . . . 7061 1 498 . 1 1 39 39 LYS HA H 1 4.2700 . . . . . . . . . . . 7061 1 499 . 1 1 39 39 LYS HB2 H 1 1.9000 . . . . . . . . . . . 7061 1 500 . 1 1 39 39 LYS HB3 H 1 1.9900 . . . . . . . . . . . 7061 1 501 . 1 1 39 39 LYS HG2 H 1 1.3400 . . . . . . . . . . . 7061 1 502 . 1 1 39 39 LYS HG3 H 1 1.4800 . . . . . . . . . . . 7061 1 503 . 1 1 39 39 LYS HD2 H 1 1.6900 . . . . . . . . . . . 7061 1 504 . 1 1 39 39 LYS HD3 H 1 1.6900 . . . . . . . . . . . 7061 1 505 . 1 1 39 39 LYS HE2 H 1 2.9800 . . . . . . . . . . . 7061 1 506 . 1 1 39 39 LYS HE3 H 1 2.9800 . . . . . . . . . . . 7061 1 507 . 1 1 39 39 LYS CA C 13 57.7800 . . . . . . . . . . . 7061 1 508 . 1 1 39 39 LYS CB C 13 33.1300 . . . . . . . . . . . 7061 1 509 . 1 1 39 39 LYS CG C 13 24.8400 . . . . . . . . . . . 7061 1 510 . 1 1 39 39 LYS CD C 13 28.6500 . . . . . . . . . . . 7061 1 511 . 1 1 39 39 LYS CE C 13 42.1800 . . . . . . . . . . . 7061 1 512 . 1 1 39 39 LYS N N 15 118.0600 . . . . . . . . . . . 7061 1 513 . 1 1 40 40 THR H H 1 8.4400 . . . . . . . . . . . 7061 1 514 . 1 1 40 40 THR HA H 1 4.2300 . . . . . . . . . . . 7061 1 515 . 1 1 40 40 THR HB H 1 4.3400 . . . . . . . . . . . 7061 1 516 . 1 1 40 40 THR HG21 H 1 1.1600 . . . . . . . . . . . 7061 1 517 . 1 1 40 40 THR HG22 H 1 1.1600 . . . . . . . . . . . 7061 1 518 . 1 1 40 40 THR HG23 H 1 1.1600 . . . . . . . . . . . 7061 1 519 . 1 1 40 40 THR CA C 13 61.8700 . . . . . . . . . . . 7061 1 520 . 1 1 40 40 THR CB C 13 70.1000 . . . . . . . . . . . 7061 1 521 . 1 1 40 40 THR CG2 C 13 21.2400 . . . . . . . . . . . 7061 1 522 . 1 1 40 40 THR N N 15 109.0300 . . . . . . . . . . . 7061 1 523 . 1 1 41 41 LYS H H 1 7.9500 . . . . . . . . . . . 7061 1 524 . 1 1 41 41 LYS HA H 1 3.8100 . . . . . . . . . . . 7061 1 525 . 1 1 41 41 LYS HB2 H 1 1.1700 . . . . . . . . . . . 7061 1 526 . 1 1 41 41 LYS HB3 H 1 1.3500 . . . . . . . . . . . 7061 1 527 . 1 1 41 41 LYS HG2 H 1 0.9900 . . . . . . . . . . . 7061 1 528 . 1 1 41 41 LYS HG3 H 1 0.9900 . . . . . . . . . . . 7061 1 529 . 1 1 41 41 LYS HD2 H 1 0.0300 . . . . . . . . . . . 7061 1 530 . 1 1 41 41 LYS HD3 H 1 0.9600 . . . . . . . . . . . 7061 1 531 . 1 1 41 41 LYS HE2 H 1 2.6500 . . . . . . . . . . . 7061 1 532 . 1 1 41 41 LYS HE3 H 1 2.6500 . . . . . . . . . . . 7061 1 533 . 1 1 41 41 LYS CA C 13 57.0100 . . . . . . . . . . . 7061 1 534 . 1 1 41 41 LYS CB C 13 28.3900 . . . . . . . . . . . 7061 1 535 . 1 1 41 41 LYS CG C 13 25.3700 . . . . . . . . . . . 7061 1 536 . 1 1 41 41 LYS CD C 13 28.4900 . . . . . . . . . . . 7061 1 537 . 1 1 41 41 LYS CE C 13 42.3700 . . . . . . . . . . . 7061 1 538 . 1 1 41 41 LYS N N 15 115.2800 . . . . . . . . . . . 7061 1 539 . 1 1 42 42 GLU H H 1 7.5900 . . . . . . . . . . . 7061 1 540 . 1 1 42 42 GLU HA H 1 4.1500 . . . . . . . . . . . 7061 1 541 . 1 1 42 42 GLU HB2 H 1 1.8100 . . . . . . . . . . . 7061 1 542 . 1 1 42 42 GLU HB3 H 1 1.8100 . . . . . . . . . . . 7061 1 543 . 1 1 42 42 GLU HG2 H 1 2.1800 . . . . . . . . . . . 7061 1 544 . 1 1 42 42 GLU HG3 H 1 2.0400 . . . . . . . . . . . 7061 1 545 . 1 1 42 42 GLU CA C 13 56.1500 . . . . . . . . . . . 7061 1 546 . 1 1 42 42 GLU CB C 13 30.9000 . . . . . . . . . . . 7061 1 547 . 1 1 42 42 GLU CG C 13 36.1900 . . . . . . . . . . . 7061 1 548 . 1 1 42 42 GLU N N 15 118.6300 . . . . . . . . . . . 7061 1 549 . 1 1 43 43 VAL H H 1 8.8100 . . . . . . . . . . . 7061 1 550 . 1 1 43 43 VAL HA H 1 3.9000 . . . . . . . . . . . 7061 1 551 . 1 1 43 43 VAL HB H 1 2.0200 . . . . . . . . . . . 7061 1 552 . 1 1 43 43 VAL HG11 H 1 0.7500 . . . . . . . . . . . 7061 1 553 . 1 1 43 43 VAL HG12 H 1 0.7500 . . . . . . . . . . . 7061 1 554 . 1 1 43 43 VAL HG13 H 1 0.7500 . . . . . . . . . . . 7061 1 555 . 1 1 43 43 VAL HG21 H 1 1.0400 . . . . . . . . . . . 7061 1 556 . 1 1 43 43 VAL HG22 H 1 1.0400 . . . . . . . . . . . 7061 1 557 . 1 1 43 43 VAL HG23 H 1 1.0400 . . . . . . . . . . . 7061 1 558 . 1 1 43 43 VAL CA C 13 63.5500 . . . . . . . . . . . 7061 1 559 . 1 1 43 43 VAL CB C 13 31.6200 . . . . . . . . . . . 7061 1 560 . 1 1 43 43 VAL CG1 C 13 21.5100 . . . . . . . . . . . 7061 1 561 . 1 1 43 43 VAL CG2 C 13 21.8400 . . . . . . . . . . . 7061 1 562 . 1 1 43 43 VAL N N 15 125.3200 . . . . . . . . . . . 7061 1 563 . 1 1 44 44 ILE H H 1 9.0300 . . . . . . . . . . . 7061 1 564 . 1 1 44 44 ILE HA H 1 3.9600 . . . . . . . . . . . 7061 1 565 . 1 1 44 44 ILE HB H 1 1.5000 . . . . . . . . . . . 7061 1 566 . 1 1 44 44 ILE HG12 H 1 -0.2800 . . . . . . . . . . . 7061 1 567 . 1 1 44 44 ILE HG13 H 1 0.9900 . . . . . . . . . . . 7061 1 568 . 1 1 44 44 ILE HG21 H 1 0.8500 . . . . . . . . . . . 7061 1 569 . 1 1 44 44 ILE HG22 H 1 0.8500 . . . . . . . . . . . 7061 1 570 . 1 1 44 44 ILE HG23 H 1 0.8500 . . . . . . . . . . . 7061 1 571 . 1 1 44 44 ILE HD11 H 1 0.7700 . . . . . . . . . . . 7061 1 572 . 1 1 44 44 ILE HD12 H 1 0.7700 . . . . . . . . . . . 7061 1 573 . 1 1 44 44 ILE HD13 H 1 0.7700 . . . . . . . . . . . 7061 1 574 . 1 1 44 44 ILE CA C 13 62.5600 . . . . . . . . . . . 7061 1 575 . 1 1 44 44 ILE CB C 13 39.2900 . . . . . . . . . . . 7061 1 576 . 1 1 44 44 ILE CG1 C 13 26.2800 . . . . . . . . . . . 7061 1 577 . 1 1 44 44 ILE CG2 C 13 17.0700 . . . . . . . . . . . 7061 1 578 . 1 1 44 44 ILE CD1 C 13 13.4600 . . . . . . . . . . . 7061 1 579 . 1 1 44 44 ILE N N 15 129.5000 . . . . . . . . . . . 7061 1 580 . 1 1 45 45 GLN H H 1 7.4300 . . . . . . . . . . . 7061 1 581 . 1 1 45 45 GLN HA H 1 4.1300 . . . . . . . . . . . 7061 1 582 . 1 1 45 45 GLN HB2 H 1 0.9800 . . . . . . . . . . . 7061 1 583 . 1 1 45 45 GLN HB3 H 1 0.9800 . . . . . . . . . . . 7061 1 584 . 1 1 45 45 GLN HG2 H 1 1.6400 . . . . . . . . . . . 7061 1 585 . 1 1 45 45 GLN HG3 H 1 0.7700 . . . . . . . . . . . 7061 1 586 . 1 1 45 45 GLN HE21 H 1 6.6600 . . . . . . . . . . . 7061 1 587 . 1 1 45 45 GLN HE22 H 1 7.0500 . . . . . . . . . . . 7061 1 588 . 1 1 45 45 GLN CA C 13 55.2100 . . . . . . . . . . . 7061 1 589 . 1 1 45 45 GLN CB C 13 32.1700 . . . . . . . . . . . 7061 1 590 . 1 1 45 45 GLN CG C 13 32.6400 . . . . . . . . . . . 7061 1 591 . 1 1 45 45 GLN N N 15 118.0400 . . . . . . . . . . . 7061 1 592 . 1 1 45 45 GLN NE2 N 15 110.9600 . . . . . . . . . . . 7061 1 593 . 1 1 46 46 GLU H H 1 8.1300 . . . . . . . . . . . 7061 1 594 . 1 1 46 46 GLU HA H 1 4.9600 . . . . . . . . . . . 7061 1 595 . 1 1 46 46 GLU HB2 H 1 1.7500 . . . . . . . . . . . 7061 1 596 . 1 1 46 46 GLU HB3 H 1 1.7500 . . . . . . . . . . . 7061 1 597 . 1 1 46 46 GLU HG2 H 1 1.9200 . . . . . . . . . . . 7061 1 598 . 1 1 46 46 GLU HG3 H 1 1.9200 . . . . . . . . . . . 7061 1 599 . 1 1 46 46 GLU CA C 13 54.3100 . . . . . . . . . . . 7061 1 600 . 1 1 46 46 GLU CB C 13 33.8800 . . . . . . . . . . . 7061 1 601 . 1 1 46 46 GLU CG C 13 35.8500 . . . . . . . . . . . 7061 1 602 . 1 1 46 46 GLU N N 15 122.9800 . . . . . . . . . . . 7061 1 603 . 1 1 47 47 TRP H H 1 9.3200 . . . . . . . . . . . 7061 1 604 . 1 1 47 47 TRP HA H 1 4.8500 . . . . . . . . . . . 7061 1 605 . 1 1 47 47 TRP HB2 H 1 2.7500 . . . . . . . . . . . 7061 1 606 . 1 1 47 47 TRP HB3 H 1 2.7500 . . . . . . . . . . . 7061 1 607 . 1 1 47 47 TRP HD1 H 1 6.3400 . . . . . . . . . . . 7061 1 608 . 1 1 47 47 TRP HE1 H 1 9.0500 . . . . . . . . . . . 7061 1 609 . 1 1 47 47 TRP HE3 H 1 7.3800 . . . . . . . . . . . 7061 1 610 . 1 1 47 47 TRP HZ2 H 1 6.9100 . . . . . . . . . . . 7061 1 611 . 1 1 47 47 TRP HZ3 H 1 7.0300 . . . . . . . . . . . 7061 1 612 . 1 1 47 47 TRP HH2 H 1 7.0820 . . . . . . . . . . . 7061 1 613 . 1 1 47 47 TRP CA C 13 56.8300 . . . . . . . . . . . 7061 1 614 . 1 1 47 47 TRP CB C 13 33.0800 . . . . . . . . . . . 7061 1 615 . 1 1 47 47 TRP CD1 C 13 126.5500 . . . . . . . . . . . 7061 1 616 . 1 1 47 47 TRP CE3 C 13 121.4200 . . . . . . . . . . . 7061 1 617 . 1 1 47 47 TRP CZ2 C 13 114.9100 . . . . . . . . . . . 7061 1 618 . 1 1 47 47 TRP CZ3 C 13 121.7600 . . . . . . . . . . . 7061 1 619 . 1 1 47 47 TRP CH2 C 13 124.6900 . . . . . . . . . . . 7061 1 620 . 1 1 47 47 TRP N N 15 122.3000 . . . . . . . . . . . 7061 1 621 . 1 1 47 47 TRP NE1 N 15 129.1200 . . . . . . . . . . . 7061 1 622 . 1 1 48 48 SER H H 1 8.7100 . . . . . . . . . . . 7061 1 623 . 1 1 48 48 SER HA H 1 4.7300 . . . . . . . . . . . 7061 1 624 . 1 1 48 48 SER HB2 H 1 3.8900 . . . . . . . . . . . 7061 1 625 . 1 1 48 48 SER HB3 H 1 4.0100 . . . . . . . . . . . 7061 1 626 . 1 1 48 48 SER CA C 13 57.9900 . . . . . . . . . . . 7061 1 627 . 1 1 48 48 SER CB C 13 63.1300 . . . . . . . . . . . 7061 1 628 . 1 1 48 48 SER N N 15 117.5600 . . . . . . . . . . . 7061 1 629 . 1 1 49 49 LEU H H 1 8.3900 . . . . . . . . . . . 7061 1 630 . 1 1 49 49 LEU HA H 1 4.1000 . . . . . . . . . . . 7061 1 631 . 1 1 49 49 LEU HB2 H 1 1.6200 . . . . . . . . . . . 7061 1 632 . 1 1 49 49 LEU HB3 H 1 1.6200 . . . . . . . . . . . 7061 1 633 . 1 1 49 49 LEU HG H 1 1.3500 . . . . . . . . . . . 7061 1 634 . 1 1 49 49 LEU HD11 H 1 0.8600 . . . . . . . . . . . 7061 1 635 . 1 1 49 49 LEU HD12 H 1 0.8600 . . . . . . . . . . . 7061 1 636 . 1 1 49 49 LEU HD13 H 1 0.8600 . . . . . . . . . . . 7061 1 637 . 1 1 49 49 LEU HD21 H 1 0.3700 . . . . . . . . . . . 7061 1 638 . 1 1 49 49 LEU HD22 H 1 0.3700 . . . . . . . . . . . 7061 1 639 . 1 1 49 49 LEU HD23 H 1 0.3700 . . . . . . . . . . . 7061 1 640 . 1 1 49 49 LEU CA C 13 57.9000 . . . . . . . . . . . 7061 1 641 . 1 1 49 49 LEU CB C 13 41.6000 . . . . . . . . . . . 7061 1 642 . 1 1 49 49 LEU CG C 13 26.7900 . . . . . . . . . . . 7061 1 643 . 1 1 49 49 LEU CD1 C 13 23.7200 . . . . . . . . . . . 7061 1 644 . 1 1 49 49 LEU CD2 C 13 21.6700 . . . . . . . . . . . 7061 1 645 . 1 1 49 49 LEU N N 15 126.0900 . . . . . . . . . . . 7061 1 646 . 1 1 50 50 THR H H 1 7.9700 . . . . . . . . . . . 7061 1 647 . 1 1 50 50 THR HA H 1 4.0200 . . . . . . . . . . . 7061 1 648 . 1 1 50 50 THR HB H 1 4.4300 . . . . . . . . . . . 7061 1 649 . 1 1 50 50 THR HG21 H 1 1.3000 . . . . . . . . . . . 7061 1 650 . 1 1 50 50 THR HG22 H 1 1.3000 . . . . . . . . . . . 7061 1 651 . 1 1 50 50 THR HG23 H 1 1.3000 . . . . . . . . . . . 7061 1 652 . 1 1 50 50 THR CA C 13 63.8600 . . . . . . . . . . . 7061 1 653 . 1 1 50 50 THR CB C 13 68.2200 . . . . . . . . . . . 7061 1 654 . 1 1 50 50 THR CG2 C 13 21.8700 . . . . . . . . . . . 7061 1 655 . 1 1 50 50 THR N N 15 106.9800 . . . . . . . . . . . 7061 1 656 . 1 1 51 51 ASN H H 1 7.8700 . . . . . . . . . . . 7061 1 657 . 1 1 51 51 ASN HA H 1 4.9000 . . . . . . . . . . . 7061 1 658 . 1 1 51 51 ASN HB2 H 1 3.0100 . . . . . . . . . . . 7061 1 659 . 1 1 51 51 ASN HB3 H 1 2.7700 . . . . . . . . . . . 7061 1 660 . 1 1 51 51 ASN HD21 H 1 6.8500 . . . . . . . . . . . 7061 1 661 . 1 1 51 51 ASN HD22 H 1 7.6400 . . . . . . . . . . . 7061 1 662 . 1 1 51 51 ASN CA C 13 53.4600 . . . . . . . . . . . 7061 1 663 . 1 1 51 51 ASN CB C 13 39.4600 . . . . . . . . . . . 7061 1 664 . 1 1 51 51 ASN N N 15 118.9400 . . . . . . . . . . . 7061 1 665 . 1 1 51 51 ASN ND2 N 15 112.4800 . . . . . . . . . . . 7061 1 666 . 1 1 52 52 ILE H H 1 7.1200 . . . . . . . . . . . 7061 1 667 . 1 1 52 52 ILE HA H 1 3.6600 . . . . . . . . . . . 7061 1 668 . 1 1 52 52 ILE HB H 1 1.9700 . . . . . . . . . . . 7061 1 669 . 1 1 52 52 ILE HG12 H 1 1.9800 . . . . . . . . . . . 7061 1 670 . 1 1 52 52 ILE HG13 H 1 1.9800 . . . . . . . . . . . 7061 1 671 . 1 1 52 52 ILE HG21 H 1 0.9200 . . . . . . . . . . . 7061 1 672 . 1 1 52 52 ILE HG22 H 1 0.9200 . . . . . . . . . . . 7061 1 673 . 1 1 52 52 ILE HG23 H 1 0.9200 . . . . . . . . . . . 7061 1 674 . 1 1 52 52 ILE HD11 H 1 0.8000 . . . . . . . . . . . 7061 1 675 . 1 1 52 52 ILE HD12 H 1 0.8000 . . . . . . . . . . . 7061 1 676 . 1 1 52 52 ILE HD13 H 1 0.8000 . . . . . . . . . . . 7061 1 677 . 1 1 52 52 ILE CA C 13 62.9900 . . . . . . . . . . . 7061 1 678 . 1 1 52 52 ILE CB C 13 39.4200 . . . . . . . . . . . 7061 1 679 . 1 1 52 52 ILE CG1 C 13 27.2100 . . . . . . . . . . . 7061 1 680 . 1 1 52 52 ILE CG2 C 13 18.5400 . . . . . . . . . . . 7061 1 681 . 1 1 52 52 ILE CD1 C 13 13.8900 . . . . . . . . . . . 7061 1 682 . 1 1 52 52 ILE N N 15 117.8600 . . . . . . . . . . . 7061 1 683 . 1 1 53 53 LYS H H 1 9.2900 . . . . . . . . . . . 7061 1 684 . 1 1 53 53 LYS HA H 1 4.2800 . . . . . . . . . . . 7061 1 685 . 1 1 53 53 LYS HB2 H 1 0.9900 . . . . . . . . . . . 7061 1 686 . 1 1 53 53 LYS HB3 H 1 1.4500 . . . . . . . . . . . 7061 1 687 . 1 1 53 53 LYS HG2 H 1 1.3500 . . . . . . . . . . . 7061 1 688 . 1 1 53 53 LYS HG3 H 1 1.4700 . . . . . . . . . . . 7061 1 689 . 1 1 53 53 LYS HD2 H 1 1.6700 . . . . . . . . . . . 7061 1 690 . 1 1 53 53 LYS HD3 H 1 1.6700 . . . . . . . . . . . 7061 1 691 . 1 1 53 53 LYS HE2 H 1 2.9900 . . . . . . . . . . . 7061 1 692 . 1 1 53 53 LYS HE3 H 1 2.9900 . . . . . . . . . . . 7061 1 693 . 1 1 53 53 LYS CA C 13 57.7600 . . . . . . . . . . . 7061 1 694 . 1 1 53 53 LYS CB C 13 34.0100 . . . . . . . . . . . 7061 1 695 . 1 1 53 53 LYS CG C 13 24.6400 . . . . . . . . . . . 7061 1 696 . 1 1 53 53 LYS CD C 13 28.9200 . . . . . . . . . . . 7061 1 697 . 1 1 53 53 LYS CE C 13 42.1900 . . . . . . . . . . . 7061 1 698 . 1 1 53 53 LYS N N 15 129.6600 . . . . . . . . . . . 7061 1 699 . 1 1 54 54 ARG H H 1 7.8500 . . . . . . . . . . . 7061 1 700 . 1 1 54 54 ARG HA H 1 4.8100 . . . . . . . . . . . 7061 1 701 . 1 1 54 54 ARG HB2 H 1 0.7800 . . . . . . . . . . . 7061 1 702 . 1 1 54 54 ARG HB3 H 1 1.0600 . . . . . . . . . . . 7061 1 703 . 1 1 54 54 ARG HG2 H 1 1.6200 . . . . . . . . . . . 7061 1 704 . 1 1 54 54 ARG HG3 H 1 1.7700 . . . . . . . . . . . 7061 1 705 . 1 1 54 54 ARG HD2 H 1 3.2600 . . . . . . . . . . . 7061 1 706 . 1 1 54 54 ARG HD3 H 1 3.3400 . . . . . . . . . . . 7061 1 707 . 1 1 54 54 ARG HE H 1 7.4700 . . . . . . . . . . . 7061 1 708 . 1 1 54 54 ARG CA C 13 54.0900 . . . . . . . . . . . 7061 1 709 . 1 1 54 54 ARG CB C 13 32.1600 . . . . . . . . . . . 7061 1 710 . 1 1 54 54 ARG CG C 13 25.3500 . . . . . . . . . . . 7061 1 711 . 1 1 54 54 ARG CD C 13 42.8000 . . . . . . . . . . . 7061 1 712 . 1 1 54 54 ARG N N 15 113.4100 . . . . . . . . . . . 7061 1 713 . 1 1 54 54 ARG NE N 15 84.6200 . . . . . . . . . . . 7061 1 714 . 1 1 55 55 TRP H H 1 8.7600 . . . . . . . . . . . 7061 1 715 . 1 1 55 55 TRP HA H 1 5.5800 . . . . . . . . . . . 7061 1 716 . 1 1 55 55 TRP HB2 H 1 3.0100 . . . . . . . . . . . 7061 1 717 . 1 1 55 55 TRP HB3 H 1 3.2200 . . . . . . . . . . . 7061 1 718 . 1 1 55 55 TRP HD1 H 1 6.8700 . . . . . . . . . . . 7061 1 719 . 1 1 55 55 TRP HE1 H 1 10.3900 . . . . . . . . . . . 7061 1 720 . 1 1 55 55 TRP HE3 H 1 7.3800 . . . . . . . . . . . 7061 1 721 . 1 1 55 55 TRP HZ2 H 1 7.4000 . . . . . . . . . . . 7061 1 722 . 1 1 55 55 TRP HZ3 H 1 7.0300 . . . . . . . . . . . 7061 1 723 . 1 1 55 55 TRP HH2 H 1 6.9600 . . . . . . . . . . . 7061 1 724 . 1 1 55 55 TRP CA C 13 56.0300 . . . . . . . . . . . 7061 1 725 . 1 1 55 55 TRP CB C 13 32.5500 . . . . . . . . . . . 7061 1 726 . 1 1 55 55 TRP CD1 C 13 126.5500 . . . . . . . . . . . 7061 1 727 . 1 1 55 55 TRP CE3 C 13 121.4200 . . . . . . . . . . . 7061 1 728 . 1 1 55 55 TRP CZ2 C 13 114.9100 . . . . . . . . . . . 7061 1 729 . 1 1 55 55 TRP CZ3 C 13 121.7600 . . . . . . . . . . . 7061 1 730 . 1 1 55 55 TRP CH2 C 13 124.6900 . . . . . . . . . . . 7061 1 731 . 1 1 55 55 TRP N N 15 117.6700 . . . . . . . . . . . 7061 1 732 . 1 1 55 55 TRP NE1 N 15 130.0200 . . . . . . . . . . . 7061 1 733 . 1 1 56 56 ALA H H 1 8.4000 . . . . . . . . . . . 7061 1 734 . 1 1 56 56 ALA HA H 1 4.6300 . . . . . . . . . . . 7061 1 735 . 1 1 56 56 ALA HB1 H 1 0.2000 . . . . . . . . . . . 7061 1 736 . 1 1 56 56 ALA HB2 H 1 0.2000 . . . . . . . . . . . 7061 1 737 . 1 1 56 56 ALA HB3 H 1 0.2000 . . . . . . . . . . . 7061 1 738 . 1 1 56 56 ALA CA C 13 51.1900 . . . . . . . . . . . 7061 1 739 . 1 1 56 56 ALA CB C 13 21.5000 . . . . . . . . . . . 7061 1 740 . 1 1 56 56 ALA N N 15 119.8300 . . . . . . . . . . . 7061 1 741 . 1 1 57 57 ALA H H 1 9.2100 . . . . . . . . . . . 7061 1 742 . 1 1 57 57 ALA HA H 1 5.1300 . . . . . . . . . . . 7061 1 743 . 1 1 57 57 ALA HB1 H 1 1.4000 . . . . . . . . . . . 7061 1 744 . 1 1 57 57 ALA HB2 H 1 1.4000 . . . . . . . . . . . 7061 1 745 . 1 1 57 57 ALA HB3 H 1 1.4000 . . . . . . . . . . . 7061 1 746 . 1 1 57 57 ALA CA C 13 50.6600 . . . . . . . . . . . 7061 1 747 . 1 1 57 57 ALA CB C 13 21.3200 . . . . . . . . . . . 7061 1 748 . 1 1 57 57 ALA N N 15 127.0600 . . . . . . . . . . . 7061 1 749 . 1 1 58 58 SER H H 1 8.9400 . . . . . . . . . . . 7061 1 750 . 1 1 58 58 SER HA H 1 5.0600 . . . . . . . . . . . 7061 1 751 . 1 1 58 58 SER HB2 H 1 3.6900 . . . . . . . . . . . 7061 1 752 . 1 1 58 58 SER HB3 H 1 4.2800 . . . . . . . . . . . 7061 1 753 . 1 1 58 58 SER CA C 13 56.6800 . . . . . . . . . . . 7061 1 754 . 1 1 58 58 SER CB C 13 65.1000 . . . . . . . . . . . 7061 1 755 . 1 1 58 58 SER N N 15 121.8100 . . . . . . . . . . . 7061 1 756 . 1 1 59 59 PRO HA H 1 4.5500 . . . . . . . . . . . 7061 1 757 . 1 1 59 59 PRO HB2 H 1 1.8400 . . . . . . . . . . . 7061 1 758 . 1 1 59 59 PRO HB3 H 1 1.8400 . . . . . . . . . . . 7061 1 759 . 1 1 59 59 PRO HG2 H 1 1.9900 . . . . . . . . . . . 7061 1 760 . 1 1 59 59 PRO HG3 H 1 2.1300 . . . . . . . . . . . 7061 1 761 . 1 1 59 59 PRO HD2 H 1 3.7300 . . . . . . . . . . . 7061 1 762 . 1 1 59 59 PRO HD3 H 1 3.9000 . . . . . . . . . . . 7061 1 763 . 1 1 59 59 PRO CA C 13 65.1300 . . . . . . . . . . . 7061 1 764 . 1 1 59 59 PRO CB C 13 32.3200 . . . . . . . . . . . 7061 1 765 . 1 1 59 59 PRO CG C 13 27.8900 . . . . . . . . . . . 7061 1 766 . 1 1 59 59 PRO CD C 13 50.1000 . . . . . . . . . . . 7061 1 767 . 1 1 60 60 LYS H H 1 7.7700 . . . . . . . . . . . 7061 1 768 . 1 1 60 60 LYS HA H 1 4.8000 . . . . . . . . . . . 7061 1 769 . 1 1 60 60 LYS HB2 H 1 1.9500 . . . . . . . . . . . 7061 1 770 . 1 1 60 60 LYS HB3 H 1 1.9500 . . . . . . . . . . . 7061 1 771 . 1 1 60 60 LYS HG2 H 1 1.3000 . . . . . . . . . . . 7061 1 772 . 1 1 60 60 LYS HG3 H 1 1.3000 . . . . . . . . . . . 7061 1 773 . 1 1 60 60 LYS HD2 H 1 1.6200 . . . . . . . . . . . 7061 1 774 . 1 1 60 60 LYS HD3 H 1 1.6600 . . . . . . . . . . . 7061 1 775 . 1 1 60 60 LYS HE2 H 1 2.9300 . . . . . . . . . . . 7061 1 776 . 1 1 60 60 LYS HE3 H 1 2.9300 . . . . . . . . . . . 7061 1 777 . 1 1 60 60 LYS CA C 13 54.8700 . . . . . . . . . . . 7061 1 778 . 1 1 60 60 LYS CB C 13 35.2900 . . . . . . . . . . . 7061 1 779 . 1 1 60 60 LYS CG C 13 24.6000 . . . . . . . . . . . 7061 1 780 . 1 1 60 60 LYS CD C 13 29.0400 . . . . . . . . . . . 7061 1 781 . 1 1 60 60 LYS CE C 13 42.2000 . . . . . . . . . . . 7061 1 782 . 1 1 60 60 LYS N N 15 111.4700 . . . . . . . . . . . 7061 1 783 . 1 1 61 61 SER H H 1 7.7100 . . . . . . . . . . . 7061 1 784 . 1 1 61 61 SER HA H 1 5.5400 . . . . . . . . . . . 7061 1 785 . 1 1 61 61 SER HB2 H 1 3.6400 . . . . . . . . . . . 7061 1 786 . 1 1 61 61 SER HB3 H 1 3.7100 . . . . . . . . . . . 7061 1 787 . 1 1 61 61 SER CA C 13 57.4800 . . . . . . . . . . . 7061 1 788 . 1 1 61 61 SER CB C 13 67.5000 . . . . . . . . . . . 7061 1 789 . 1 1 61 61 SER N N 15 114.9300 . . . . . . . . . . . 7061 1 790 . 1 1 62 62 PHE H H 1 8.6400 . . . . . . . . . . . 7061 1 791 . 1 1 62 62 PHE HA H 1 5.0900 . . . . . . . . . . . 7061 1 792 . 1 1 62 62 PHE HB2 H 1 2.5000 . . . . . . . . . . . 7061 1 793 . 1 1 62 62 PHE HB3 H 1 2.8100 . . . . . . . . . . . 7061 1 794 . 1 1 62 62 PHE HD1 H 1 6.9300 . . . . . . . . . . . 7061 1 795 . 1 1 62 62 PHE HD2 H 1 6.7500 . . . . . . . . . . . 7061 1 796 . 1 1 62 62 PHE HE1 H 1 7.1700 . . . . . . . . . . . 7061 1 797 . 1 1 62 62 PHE HE2 H 1 7.1700 . . . . . . . . . . . 7061 1 798 . 1 1 62 62 PHE HZ H 1 7.2700 . . . . . . . . . . . 7061 1 799 . 1 1 62 62 PHE CA C 13 57.9000 . . . . . . . . . . . 7061 1 800 . 1 1 62 62 PHE CB C 13 43.3900 . . . . . . . . . . . 7061 1 801 . 1 1 62 62 PHE CD1 C 13 131.3200 . . . . . . . . . . . 7061 1 802 . 1 1 62 62 PHE CD2 C 13 131.3200 . . . . . . . . . . . 7061 1 803 . 1 1 62 62 PHE CE1 C 13 129.4800 . . . . . . . . . . . 7061 1 804 . 1 1 62 62 PHE CE2 C 13 129.4800 . . . . . . . . . . . 7061 1 805 . 1 1 62 62 PHE CZ C 13 130.9500 . . . . . . . . . . . 7061 1 806 . 1 1 62 62 PHE N N 15 119.6000 . . . . . . . . . . . 7061 1 807 . 1 1 63 63 THR H H 1 7.8900 . . . . . . . . . . . 7061 1 808 . 1 1 63 63 THR HA H 1 5.0200 . . . . . . . . . . . 7061 1 809 . 1 1 63 63 THR HB H 1 3.3000 . . . . . . . . . . . 7061 1 810 . 1 1 63 63 THR HG21 H 1 0.9700 . . . . . . . . . . . 7061 1 811 . 1 1 63 63 THR HG22 H 1 0.9700 . . . . . . . . . . . 7061 1 812 . 1 1 63 63 THR HG23 H 1 0.9700 . . . . . . . . . . . 7061 1 813 . 1 1 63 63 THR CA C 13 61.3700 . . . . . . . . . . . 7061 1 814 . 1 1 63 63 THR CB C 13 71.1200 . . . . . . . . . . . 7061 1 815 . 1 1 63 63 THR CG2 C 13 21.6400 . . . . . . . . . . . 7061 1 816 . 1 1 63 63 THR N N 15 123.0300 . . . . . . . . . . . 7061 1 817 . 1 1 64 64 LEU H H 1 9.1100 . . . . . . . . . . . 7061 1 818 . 1 1 64 64 LEU HA H 1 4.3500 . . . . . . . . . . . 7061 1 819 . 1 1 64 64 LEU HB2 H 1 0.4600 . . . . . . . . . . . 7061 1 820 . 1 1 64 64 LEU HB3 H 1 1.4600 . . . . . . . . . . . 7061 1 821 . 1 1 64 64 LEU HG H 1 0.9100 . . . . . . . . . . . 7061 1 822 . 1 1 64 64 LEU HD11 H 1 0.0500 . . . . . . . . . . . 7061 1 823 . 1 1 64 64 LEU HD12 H 1 0.0500 . . . . . . . . . . . 7061 1 824 . 1 1 64 64 LEU HD13 H 1 0.0500 . . . . . . . . . . . 7061 1 825 . 1 1 64 64 LEU HD21 H 1 0.3700 . . . . . . . . . . . 7061 1 826 . 1 1 64 64 LEU HD22 H 1 0.3700 . . . . . . . . . . . 7061 1 827 . 1 1 64 64 LEU HD23 H 1 0.3700 . . . . . . . . . . . 7061 1 828 . 1 1 64 64 LEU CA C 13 53.6200 . . . . . . . . . . . 7061 1 829 . 1 1 64 64 LEU CB C 13 46.3100 . . . . . . . . . . . 7061 1 830 . 1 1 64 64 LEU CG C 13 24.7900 . . . . . . . . . . . 7061 1 831 . 1 1 64 64 LEU CD1 C 13 24.6200 . . . . . . . . . . . 7061 1 832 . 1 1 64 64 LEU CD2 C 13 21.6700 . . . . . . . . . . . 7061 1 833 . 1 1 64 64 LEU N N 15 125.3200 . . . . . . . . . . . 7061 1 834 . 1 1 65 65 ASP H H 1 7.9400 . . . . . . . . . . . 7061 1 835 . 1 1 65 65 ASP HA H 1 4.8300 . . . . . . . . . . . 7061 1 836 . 1 1 65 65 ASP HB2 H 1 1.6600 . . . . . . . . . . . 7061 1 837 . 1 1 65 65 ASP HB3 H 1 2.3100 . . . . . . . . . . . 7061 1 838 . 1 1 65 65 ASP CA C 13 51.8700 . . . . . . . . . . . 7061 1 839 . 1 1 65 65 ASP CB C 13 42.9600 . . . . . . . . . . . 7061 1 840 . 1 1 65 65 ASP N N 15 119.9300 . . . . . . . . . . . 7061 1 841 . 1 1 66 66 PHE H H 1 9.2600 . . . . . . . . . . . 7061 1 842 . 1 1 66 66 PHE HA H 1 4.9400 . . . . . . . . . . . 7061 1 843 . 1 1 66 66 PHE HB2 H 1 2.7300 . . . . . . . . . . . 7061 1 844 . 1 1 66 66 PHE HB3 H 1 3.5400 . . . . . . . . . . . 7061 1 845 . 1 1 66 66 PHE HD1 H 1 6.7000 . . . . . . . . . . . 7061 1 846 . 1 1 66 66 PHE HD2 H 1 6.7000 . . . . . . . . . . . 7061 1 847 . 1 1 66 66 PHE HE1 H 1 6.2300 . . . . . . . . . . . 7061 1 848 . 1 1 66 66 PHE HE2 H 1 6.2300 . . . . . . . . . . . 7061 1 849 . 1 1 66 66 PHE HZ H 1 7.0900 . . . . . . . . . . . 7061 1 850 . 1 1 66 66 PHE CA C 13 57.3200 . . . . . . . . . . . 7061 1 851 . 1 1 66 66 PHE CB C 13 39.1600 . . . . . . . . . . . 7061 1 852 . 1 1 66 66 PHE CD1 C 13 129.6700 . . . . . . . . . . . 7061 1 853 . 1 1 66 66 PHE CD2 C 13 129.6700 . . . . . . . . . . . 7061 1 854 . 1 1 66 66 PHE CE1 C 13 129.6700 . . . . . . . . . . . 7061 1 855 . 1 1 66 66 PHE CE2 C 13 129.6700 . . . . . . . . . . . 7061 1 856 . 1 1 66 66 PHE CZ C 13 130.9500 . . . . . . . . . . . 7061 1 857 . 1 1 66 66 PHE N N 15 126.3800 . . . . . . . . . . . 7061 1 858 . 1 1 67 67 GLY H H 1 9.2800 . . . . . . . . . . . 7061 1 859 . 1 1 67 67 GLY HA2 H 1 3.6900 . . . . . . . . . . . 7061 1 860 . 1 1 67 67 GLY HA3 H 1 3.9300 . . . . . . . . . . . 7061 1 861 . 1 1 67 67 GLY CA C 13 46.6800 . . . . . . . . . . . 7061 1 862 . 1 1 67 67 GLY N N 15 111.5000 . . . . . . . . . . . 7061 1 863 . 1 1 68 68 ASP H H 1 8.6700 . . . . . . . . . . . 7061 1 864 . 1 1 68 68 ASP HA H 1 4.5800 . . . . . . . . . . . 7061 1 865 . 1 1 68 68 ASP HB2 H 1 2.5300 . . . . . . . . . . . 7061 1 866 . 1 1 68 68 ASP HB3 H 1 2.7100 . . . . . . . . . . . 7061 1 867 . 1 1 68 68 ASP CA C 13 54.5400 . . . . . . . . . . . 7061 1 868 . 1 1 68 68 ASP CB C 13 40.6000 . . . . . . . . . . . 7061 1 869 . 1 1 68 68 ASP N N 15 123.4400 . . . . . . . . . . . 7061 1 870 . 1 1 69 69 TYR H H 1 8.2500 . . . . . . . . . . . 7061 1 871 . 1 1 69 69 TYR HA H 1 4.2900 . . . . . . . . . . . 7061 1 872 . 1 1 69 69 TYR HB2 H 1 3.2700 . . . . . . . . . . . 7061 1 873 . 1 1 69 69 TYR HB3 H 1 3.2700 . . . . . . . . . . . 7061 1 874 . 1 1 69 69 TYR HD1 H 1 7.2900 . . . . . . . . . . . 7061 1 875 . 1 1 69 69 TYR HD2 H 1 7.2900 . . . . . . . . . . . 7061 1 876 . 1 1 69 69 TYR HE1 H 1 6.8800 . . . . . . . . . . . 7061 1 877 . 1 1 69 69 TYR HE2 H 1 6.8800 . . . . . . . . . . . 7061 1 878 . 1 1 69 69 TYR CA C 13 59.9700 . . . . . . . . . . . 7061 1 879 . 1 1 69 69 TYR CB C 13 38.6100 . . . . . . . . . . . 7061 1 880 . 1 1 69 69 TYR CD1 C 13 132.7800 . . . . . . . . . . . 7061 1 881 . 1 1 69 69 TYR CD2 C 13 132.7800 . . . . . . . . . . . 7061 1 882 . 1 1 69 69 TYR CE1 C 13 118.2100 . . . . . . . . . . . 7061 1 883 . 1 1 69 69 TYR CE2 C 13 118.2100 . . . . . . . . . . . 7061 1 884 . 1 1 69 69 TYR N N 15 120.0900 . . . . . . . . . . . 7061 1 885 . 1 1 70 70 GLN H H 1 7.7200 . . . . . . . . . . . 7061 1 886 . 1 1 70 70 GLN HA H 1 4.4200 . . . . . . . . . . . 7061 1 887 . 1 1 70 70 GLN HB2 H 1 2.0900 . . . . . . . . . . . 7061 1 888 . 1 1 70 70 GLN HB3 H 1 2.2200 . . . . . . . . . . . 7061 1 889 . 1 1 70 70 GLN HG2 H 1 2.3600 . . . . . . . . . . . 7061 1 890 . 1 1 70 70 GLN HG3 H 1 2.3600 . . . . . . . . . . . 7061 1 891 . 1 1 70 70 GLN HE21 H 1 6.8500 . . . . . . . . . . . 7061 1 892 . 1 1 70 70 GLN HE22 H 1 7.7100 . . . . . . . . . . . 7061 1 893 . 1 1 70 70 GLN CA C 13 55.6500 . . . . . . . . . . . 7061 1 894 . 1 1 70 70 GLN CB C 13 31.1300 . . . . . . . . . . . 7061 1 895 . 1 1 70 70 GLN CG C 13 33.4200 . . . . . . . . . . . 7061 1 896 . 1 1 70 70 GLN N N 15 116.3600 . . . . . . . . . . . 7061 1 897 . 1 1 70 70 GLN NE2 N 15 114.4100 . . . . . . . . . . . 7061 1 898 . 1 1 71 71 ASP H H 1 8.3800 . . . . . . . . . . . 7061 1 899 . 1 1 71 71 ASP HA H 1 4.6700 . . . . . . . . . . . 7061 1 900 . 1 1 71 71 ASP HB2 H 1 2.6100 . . . . . . . . . . . 7061 1 901 . 1 1 71 71 ASP HB3 H 1 2.7700 . . . . . . . . . . . 7061 1 902 . 1 1 71 71 ASP CA C 13 54.3600 . . . . . . . . . . . 7061 1 903 . 1 1 71 71 ASP CB C 13 40.8100 . . . . . . . . . . . 7061 1 904 . 1 1 71 71 ASP N N 15 121.5000 . . . . . . . . . . . 7061 1 905 . 1 1 72 72 GLY H H 1 8.2400 . . . . . . . . . . . 7061 1 906 . 1 1 72 72 GLY HA2 H 1 3.7300 . . . . . . . . . . . 7061 1 907 . 1 1 72 72 GLY HA3 H 1 4.1800 . . . . . . . . . . . 7061 1 908 . 1 1 72 72 GLY CA C 13 44.6900 . . . . . . . . . . . 7061 1 909 . 1 1 72 72 GLY N N 15 112.2100 . . . . . . . . . . . 7061 1 910 . 1 1 73 73 TYR H H 1 8.1700 . . . . . . . . . . . 7061 1 911 . 1 1 73 73 TYR HA H 1 5.2000 . . . . . . . . . . . 7061 1 912 . 1 1 73 73 TYR HB2 H 1 3.1400 . . . . . . . . . . . 7061 1 913 . 1 1 73 73 TYR HB3 H 1 2.8400 . . . . . . . . . . . 7061 1 914 . 1 1 73 73 TYR HD1 H 1 7.0900 . . . . . . . . . . . 7061 1 915 . 1 1 73 73 TYR HD2 H 1 7.0900 . . . . . . . . . . . 7061 1 916 . 1 1 73 73 TYR HE1 H 1 6.8200 . . . . . . . . . . . 7061 1 917 . 1 1 73 73 TYR HE2 H 1 6.8200 . . . . . . . . . . . 7061 1 918 . 1 1 73 73 TYR CA C 13 54.9300 . . . . . . . . . . . 7061 1 919 . 1 1 73 73 TYR CB C 13 38.5000 . . . . . . . . . . . 7061 1 920 . 1 1 73 73 TYR CD1 C 13 131.3100 . . . . . . . . . . . 7061 1 921 . 1 1 73 73 TYR CD2 C 13 131.3100 . . . . . . . . . . . 7061 1 922 . 1 1 73 73 TYR CE1 C 13 118.1600 . . . . . . . . . . . 7061 1 923 . 1 1 73 73 TYR CE2 C 13 118.1600 . . . . . . . . . . . 7061 1 924 . 1 1 73 73 TYR N N 15 121.3400 . . . . . . . . . . . 7061 1 925 . 1 1 74 74 TYR H H 1 8.8400 . . . . . . . . . . . 7061 1 926 . 1 1 74 74 TYR HA H 1 5.1700 . . . . . . . . . . . 7061 1 927 . 1 1 74 74 TYR HB2 H 1 3.1200 . . . . . . . . . . . 7061 1 928 . 1 1 74 74 TYR HB3 H 1 2.7800 . . . . . . . . . . . 7061 1 929 . 1 1 74 74 TYR HD1 H 1 7.1100 . . . . . . . . . . . 7061 1 930 . 1 1 74 74 TYR HD2 H 1 7.1100 . . . . . . . . . . . 7061 1 931 . 1 1 74 74 TYR HE1 H 1 6.8100 . . . . . . . . . . . 7061 1 932 . 1 1 74 74 TYR HE2 H 1 6.8100 . . . . . . . . . . . 7061 1 933 . 1 1 74 74 TYR CA C 13 57.0400 . . . . . . . . . . . 7061 1 934 . 1 1 74 74 TYR CB C 13 40.4100 . . . . . . . . . . . 7061 1 935 . 1 1 74 74 TYR CD1 C 13 132.1600 . . . . . . . . . . . 7061 1 936 . 1 1 74 74 TYR CD2 C 13 132.1600 . . . . . . . . . . . 7061 1 937 . 1 1 74 74 TYR CE1 C 13 117.9100 . . . . . . . . . . . 7061 1 938 . 1 1 74 74 TYR CE2 C 13 117.9100 . . . . . . . . . . . 7061 1 939 . 1 1 74 74 TYR N N 15 123.4900 . . . . . . . . . . . 7061 1 940 . 1 1 75 75 SER H H 1 8.3700 . . . . . . . . . . . 7061 1 941 . 1 1 75 75 SER HA H 1 5.3500 . . . . . . . . . . . 7061 1 942 . 1 1 75 75 SER HB2 H 1 3.5100 . . . . . . . . . . . 7061 1 943 . 1 1 75 75 SER HB3 H 1 3.7000 . . . . . . . . . . . 7061 1 944 . 1 1 75 75 SER CA C 13 56.1200 . . . . . . . . . . . 7061 1 945 . 1 1 75 75 SER CB C 13 65.2200 . . . . . . . . . . . 7061 1 946 . 1 1 75 75 SER N N 15 122.9200 . . . . . . . . . . . 7061 1 947 . 1 1 76 76 VAL H H 1 8.8200 . . . . . . . . . . . 7061 1 948 . 1 1 76 76 VAL HA H 1 4.9400 . . . . . . . . . . . 7061 1 949 . 1 1 76 76 VAL HB H 1 2.0100 . . . . . . . . . . . 7061 1 950 . 1 1 76 76 VAL HG11 H 1 0.8700 . . . . . . . . . . . 7061 1 951 . 1 1 76 76 VAL HG12 H 1 0.8700 . . . . . . . . . . . 7061 1 952 . 1 1 76 76 VAL HG13 H 1 0.8700 . . . . . . . . . . . 7061 1 953 . 1 1 76 76 VAL HG21 H 1 0.7000 . . . . . . . . . . . 7061 1 954 . 1 1 76 76 VAL HG22 H 1 0.7000 . . . . . . . . . . . 7061 1 955 . 1 1 76 76 VAL HG23 H 1 0.7000 . . . . . . . . . . . 7061 1 956 . 1 1 76 76 VAL CA C 13 58.1100 . . . . . . . . . . . 7061 1 957 . 1 1 76 76 VAL CB C 13 36.0500 . . . . . . . . . . . 7061 1 958 . 1 1 76 76 VAL CG1 C 13 17.8800 . . . . . . . . . . . 7061 1 959 . 1 1 76 76 VAL CG2 C 13 23.1500 . . . . . . . . . . . 7061 1 960 . 1 1 76 76 VAL N N 15 117.0800 . . . . . . . . . . . 7061 1 961 . 1 1 77 77 GLN H H 1 9.1500 . . . . . . . . . . . 7061 1 962 . 1 1 77 77 GLN HA H 1 4.8500 . . . . . . . . . . . 7061 1 963 . 1 1 77 77 GLN HB2 H 1 1.9200 . . . . . . . . . . . 7061 1 964 . 1 1 77 77 GLN HB3 H 1 2.1700 . . . . . . . . . . . 7061 1 965 . 1 1 77 77 GLN HG2 H 1 2.4300 . . . . . . . . . . . 7061 1 966 . 1 1 77 77 GLN HG3 H 1 2.4300 . . . . . . . . . . . 7061 1 967 . 1 1 77 77 GLN HE21 H 1 6.8500 . . . . . . . . . . . 7061 1 968 . 1 1 77 77 GLN HE22 H 1 7.7100 . . . . . . . . . . . 7061 1 969 . 1 1 77 77 GLN CA C 13 55.0200 . . . . . . . . . . . 7061 1 970 . 1 1 77 77 GLN CB C 13 29.7900 . . . . . . . . . . . 7061 1 971 . 1 1 77 77 GLN CG C 13 34.0800 . . . . . . . . . . . 7061 1 972 . 1 1 77 77 GLN N N 15 121.4000 . . . . . . . . . . . 7061 1 973 . 1 1 77 77 GLN NE2 N 15 114.4100 . . . . . . . . . . . 7061 1 974 . 1 1 78 78 THR H H 1 7.8500 . . . . . . . . . . . 7061 1 975 . 1 1 78 78 THR HA H 1 4.8400 . . . . . . . . . . . 7061 1 976 . 1 1 78 78 THR HB H 1 4.6800 . . . . . . . . . . . 7061 1 977 . 1 1 78 78 THR HG21 H 1 0.8400 . . . . . . . . . . . 7061 1 978 . 1 1 78 78 THR HG22 H 1 0.8400 . . . . . . . . . . . 7061 1 979 . 1 1 78 78 THR HG23 H 1 0.8400 . . . . . . . . . . . 7061 1 980 . 1 1 78 78 THR CA C 13 60.0100 . . . . . . . . . . . 7061 1 981 . 1 1 78 78 THR CB C 13 66.9600 . . . . . . . . . . . 7061 1 982 . 1 1 78 78 THR CG2 C 13 18.5000 . . . . . . . . . . . 7061 1 983 . 1 1 78 78 THR N N 15 121.1500 . . . . . . . . . . . 7061 1 984 . 1 1 79 79 THR H H 1 8.7100 . . . . . . . . . . . 7061 1 985 . 1 1 79 79 THR HA H 1 4.8500 . . . . . . . . . . . 7061 1 986 . 1 1 79 79 THR HB H 1 4.7200 . . . . . . . . . . . 7061 1 987 . 1 1 79 79 THR HG21 H 1 1.3500 . . . . . . . . . . . 7061 1 988 . 1 1 79 79 THR HG22 H 1 1.3500 . . . . . . . . . . . 7061 1 989 . 1 1 79 79 THR HG23 H 1 1.3500 . . . . . . . . . . . 7061 1 990 . 1 1 79 79 THR CA C 13 62.2900 . . . . . . . . . . . 7061 1 991 . 1 1 79 79 THR CB C 13 68.3300 . . . . . . . . . . . 7061 1 992 . 1 1 79 79 THR CG2 C 13 21.5700 . . . . . . . . . . . 7061 1 993 . 1 1 79 79 THR N N 15 118.3500 . . . . . . . . . . . 7061 1 994 . 1 1 80 80 GLU H H 1 9.1700 . . . . . . . . . . . 7061 1 995 . 1 1 80 80 GLU HA H 1 4.7900 . . . . . . . . . . . 7061 1 996 . 1 1 80 80 GLU HB2 H 1 1.7100 . . . . . . . . . . . 7061 1 997 . 1 1 80 80 GLU HB3 H 1 2.4900 . . . . . . . . . . . 7061 1 998 . 1 1 80 80 GLU HG2 H 1 2.1400 . . . . . . . . . . . 7061 1 999 . 1 1 80 80 GLU HG3 H 1 2.2700 . . . . . . . . . . . 7061 1 1000 . 1 1 80 80 GLU CA C 13 55.4500 . . . . . . . . . . . 7061 1 1001 . 1 1 80 80 GLU CB C 13 30.0700 . . . . . . . . . . . 7061 1 1002 . 1 1 80 80 GLU CG C 13 37.5600 . . . . . . . . . . . 7061 1 1003 . 1 1 80 80 GLU N N 15 124.5100 . . . . . . . . . . . 7061 1 1004 . 1 1 81 81 GLY H H 1 9.3900 . . . . . . . . . . . 7061 1 1005 . 1 1 81 81 GLY HA2 H 1 3.2400 . . . . . . . . . . . 7061 1 1006 . 1 1 81 81 GLY HA3 H 1 3.7800 . . . . . . . . . . . 7061 1 1007 . 1 1 81 81 GLY CA C 13 47.7300 . . . . . . . . . . . 7061 1 1008 . 1 1 81 81 GLY N N 15 111.2100 . . . . . . . . . . . 7061 1 1009 . 1 1 82 82 GLU H H 1 8.7600 . . . . . . . . . . . 7061 1 1010 . 1 1 82 82 GLU HA H 1 3.9900 . . . . . . . . . . . 7061 1 1011 . 1 1 82 82 GLU HB2 H 1 1.9000 . . . . . . . . . . . 7061 1 1012 . 1 1 82 82 GLU HB3 H 1 1.9000 . . . . . . . . . . . 7061 1 1013 . 1 1 82 82 GLU HG2 H 1 2.1100 . . . . . . . . . . . 7061 1 1014 . 1 1 82 82 GLU HG3 H 1 2.2500 . . . . . . . . . . . 7061 1 1015 . 1 1 82 82 GLU CA C 13 59.1700 . . . . . . . . . . . 7061 1 1016 . 1 1 82 82 GLU CB C 13 28.8300 . . . . . . . . . . . 7061 1 1017 . 1 1 82 82 GLU CG C 13 35.8800 . . . . . . . . . . . 7061 1 1018 . 1 1 82 82 GLU N N 15 119.5300 . . . . . . . . . . . 7061 1 1019 . 1 1 83 83 GLN H H 1 7.5100 . . . . . . . . . . . 7061 1 1020 . 1 1 83 83 GLN HA H 1 3.9500 . . . . . . . . . . . 7061 1 1021 . 1 1 83 83 GLN HB2 H 1 2.0700 . . . . . . . . . . . 7061 1 1022 . 1 1 83 83 GLN HB3 H 1 2.2300 . . . . . . . . . . . 7061 1 1023 . 1 1 83 83 GLN HG2 H 1 2.5600 . . . . . . . . . . . 7061 1 1024 . 1 1 83 83 GLN HG3 H 1 2.3700 . . . . . . . . . . . 7061 1 1025 . 1 1 83 83 GLN HE21 H 1 6.9800 . . . . . . . . . . . 7061 1 1026 . 1 1 83 83 GLN HE22 H 1 7.5800 . . . . . . . . . . . 7061 1 1027 . 1 1 83 83 GLN CA C 13 59.2700 . . . . . . . . . . . 7061 1 1028 . 1 1 83 83 GLN CB C 13 28.3200 . . . . . . . . . . . 7061 1 1029 . 1 1 83 83 GLN CG C 13 34.7600 . . . . . . . . . . . 7061 1 1030 . 1 1 83 83 GLN N N 15 120.0800 . . . . . . . . . . . 7061 1 1031 . 1 1 83 83 GLN NE2 N 15 112.5000 . . . . . . . . . . . 7061 1 1032 . 1 1 84 84 ILE H H 1 7.5700 . . . . . . . . . . . 7061 1 1033 . 1 1 84 84 ILE HA H 1 2.6100 . . . . . . . . . . . 7061 1 1034 . 1 1 84 84 ILE HB H 1 0.4900 . . . . . . . . . . . 7061 1 1035 . 1 1 84 84 ILE HG12 H 1 -1.2400 . . . . . . . . . . . 7061 1 1036 . 1 1 84 84 ILE HG13 H 1 0.4400 . . . . . . . . . . . 7061 1 1037 . 1 1 84 84 ILE HG21 H 1 -0.4200 . . . . . . . . . . . 7061 1 1038 . 1 1 84 84 ILE HG22 H 1 -0.4200 . . . . . . . . . . . 7061 1 1039 . 1 1 84 84 ILE HG23 H 1 -0.4200 . . . . . . . . . . . 7061 1 1040 . 1 1 84 84 ILE HD11 H 1 -0.0300 . . . . . . . . . . . 7061 1 1041 . 1 1 84 84 ILE HD12 H 1 -0.0300 . . . . . . . . . . . 7061 1 1042 . 1 1 84 84 ILE HD13 H 1 -0.0300 . . . . . . . . . . . 7061 1 1043 . 1 1 84 84 ILE CA C 13 65.2300 . . . . . . . . . . . 7061 1 1044 . 1 1 84 84 ILE CB C 13 37.6800 . . . . . . . . . . . 7061 1 1045 . 1 1 84 84 ILE CG1 C 13 25.9900 . . . . . . . . . . . 7061 1 1046 . 1 1 84 84 ILE CG2 C 13 16.6900 . . . . . . . . . . . 7061 1 1047 . 1 1 84 84 ILE CD1 C 13 13.2000 . . . . . . . . . . . 7061 1 1048 . 1 1 84 84 ILE N N 15 121.9800 . . . . . . . . . . . 7061 1 1049 . 1 1 85 85 ALA H H 1 7.9700 . . . . . . . . . . . 7061 1 1050 . 1 1 85 85 ALA HA H 1 3.2800 . . . . . . . . . . . 7061 1 1051 . 1 1 85 85 ALA HB1 H 1 1.5800 . . . . . . . . . . . 7061 1 1052 . 1 1 85 85 ALA HB2 H 1 1.5800 . . . . . . . . . . . 7061 1 1053 . 1 1 85 85 ALA HB3 H 1 1.5800 . . . . . . . . . . . 7061 1 1054 . 1 1 85 85 ALA CA C 13 54.8700 . . . . . . . . . . . 7061 1 1055 . 1 1 85 85 ALA CB C 13 18.6600 . . . . . . . . . . . 7061 1 1056 . 1 1 85 85 ALA N N 15 119.8100 . . . . . . . . . . . 7061 1 1057 . 1 1 86 86 GLN H H 1 7.6400 . . . . . . . . . . . 7061 1 1058 . 1 1 86 86 GLN HA H 1 3.9800 . . . . . . . . . . . 7061 1 1059 . 1 1 86 86 GLN HB2 H 1 2.0100 . . . . . . . . . . . 7061 1 1060 . 1 1 86 86 GLN HB3 H 1 2.0900 . . . . . . . . . . . 7061 1 1061 . 1 1 86 86 GLN HG2 H 1 2.5100 . . . . . . . . . . . 7061 1 1062 . 1 1 86 86 GLN HG3 H 1 2.4000 . . . . . . . . . . . 7061 1 1063 . 1 1 86 86 GLN HE21 H 1 6.7900 . . . . . . . . . . . 7061 1 1064 . 1 1 86 86 GLN HE22 H 1 7.5100 . . . . . . . . . . . 7061 1 1065 . 1 1 86 86 GLN CA C 13 58.4300 . . . . . . . . . . . 7061 1 1066 . 1 1 86 86 GLN CB C 13 28.4900 . . . . . . . . . . . 7061 1 1067 . 1 1 86 86 GLN CG C 13 33.8000 . . . . . . . . . . . 7061 1 1068 . 1 1 86 86 GLN N N 15 115.8600 . . . . . . . . . . . 7061 1 1069 . 1 1 86 86 GLN NE2 N 15 112.1500 . . . . . . . . . . . 7061 1 1070 . 1 1 87 87 LEU H H 1 7.4200 . . . . . . . . . . . 7061 1 1071 . 1 1 87 87 LEU HA H 1 3.7900 . . . . . . . . . . . 7061 1 1072 . 1 1 87 87 LEU HB2 H 1 1.4100 . . . . . . . . . . . 7061 1 1073 . 1 1 87 87 LEU HB3 H 1 1.6200 . . . . . . . . . . . 7061 1 1074 . 1 1 87 87 LEU HG H 1 0.8000 . . . . . . . . . . . 7061 1 1075 . 1 1 87 87 LEU HD11 H 1 1.3250 . . . . . . . . . . . 7061 1 1076 . 1 1 87 87 LEU HD12 H 1 1.3250 . . . . . . . . . . . 7061 1 1077 . 1 1 87 87 LEU HD13 H 1 1.3250 . . . . . . . . . . . 7061 1 1078 . 1 1 87 87 LEU HD21 H 1 1.3250 . . . . . . . . . . . 7061 1 1079 . 1 1 87 87 LEU HD22 H 1 1.3250 . . . . . . . . . . . 7061 1 1080 . 1 1 87 87 LEU HD23 H 1 1.3250 . . . . . . . . . . . 7061 1 1081 . 1 1 87 87 LEU CA C 13 57.2700 . . . . . . . . . . . 7061 1 1082 . 1 1 87 87 LEU CB C 13 42.4000 . . . . . . . . . . . 7061 1 1083 . 1 1 87 87 LEU CG C 13 24.5700 . . . . . . . . . . . 7061 1 1084 . 1 1 87 87 LEU CD1 C 13 25.0000 . . . . . . . . . . . 7061 1 1085 . 1 1 87 87 LEU CD2 C 13 25.0000 . . . . . . . . . . . 7061 1 1086 . 1 1 87 87 LEU N N 15 122.1800 . . . . . . . . . . . 7061 1 1087 . 1 1 88 88 ILE H H 1 7.7200 . . . . . . . . . . . 7061 1 1088 . 1 1 88 88 ILE HA H 1 3.2000 . . . . . . . . . . . 7061 1 1089 . 1 1 88 88 ILE HB H 1 1.1000 . . . . . . . . . . . 7061 1 1090 . 1 1 88 88 ILE HG12 H 1 0.6700 . . . . . . . . . . . 7061 1 1091 . 1 1 88 88 ILE HG13 H 1 1.4200 . . . . . . . . . . . 7061 1 1092 . 1 1 88 88 ILE HG21 H 1 0.0000 . . . . . . . . . . . 7061 1 1093 . 1 1 88 88 ILE HG22 H 1 0.0000 . . . . . . . . . . . 7061 1 1094 . 1 1 88 88 ILE HG23 H 1 0.0000 . . . . . . . . . . . 7061 1 1095 . 1 1 88 88 ILE HD11 H 1 0.4800 . . . . . . . . . . . 7061 1 1096 . 1 1 88 88 ILE HD12 H 1 0.4800 . . . . . . . . . . . 7061 1 1097 . 1 1 88 88 ILE HD13 H 1 0.4800 . . . . . . . . . . . 7061 1 1098 . 1 1 88 88 ILE CA C 13 65.7900 . . . . . . . . . . . 7061 1 1099 . 1 1 88 88 ILE CB C 13 37.6900 . . . . . . . . . . . 7061 1 1100 . 1 1 88 88 ILE CG1 C 13 29.4900 . . . . . . . . . . . 7061 1 1101 . 1 1 88 88 ILE CG2 C 13 16.1000 . . . . . . . . . . . 7061 1 1102 . 1 1 88 88 ILE CD1 C 13 13.9200 . . . . . . . . . . . 7061 1 1103 . 1 1 88 88 ILE N N 15 118.1700 . . . . . . . . . . . 7061 1 1104 . 1 1 89 89 ALA H H 1 8.3900 . . . . . . . . . . . 7061 1 1105 . 1 1 89 89 ALA HA H 1 3.9000 . . . . . . . . . . . 7061 1 1106 . 1 1 89 89 ALA HB1 H 1 1.6500 . . . . . . . . . . . 7061 1 1107 . 1 1 89 89 ALA HB2 H 1 1.6500 . . . . . . . . . . . 7061 1 1108 . 1 1 89 89 ALA HB3 H 1 1.6500 . . . . . . . . . . . 7061 1 1109 . 1 1 89 89 ALA CA C 13 55.3700 . . . . . . . . . . . 7061 1 1110 . 1 1 89 89 ALA CB C 13 18.7400 . . . . . . . . . . . 7061 1 1111 . 1 1 89 89 ALA N N 15 120.4600 . . . . . . . . . . . 7061 1 1112 . 1 1 90 90 GLY H H 1 7.9300 . . . . . . . . . . . 7061 1 1113 . 1 1 90 90 GLY HA2 H 1 3.8900 . . . . . . . . . . . 7061 1 1114 . 1 1 90 90 GLY HA3 H 1 3.9400 . . . . . . . . . . . 7061 1 1115 . 1 1 90 90 GLY CA C 13 46.8300 . . . . . . . . . . . 7061 1 1116 . 1 1 90 90 GLY N N 15 105.4800 . . . . . . . . . . . 7061 1 1117 . 1 1 91 91 TYR H H 1 8.0900 . . . . . . . . . . . 7061 1 1118 . 1 1 91 91 TYR HA H 1 4.8100 . . . . . . . . . . . 7061 1 1119 . 1 1 91 91 TYR HB2 H 1 2.9800 . . . . . . . . . . . 7061 1 1120 . 1 1 91 91 TYR HB3 H 1 3.0400 . . . . . . . . . . . 7061 1 1121 . 1 1 91 91 TYR HD1 H 1 6.8400 . . . . . . . . . . . 7061 1 1122 . 1 1 91 91 TYR HD2 H 1 6.8400 . . . . . . . . . . . 7061 1 1123 . 1 1 91 91 TYR HE1 H 1 6.5000 . . . . . . . . . . . 7061 1 1124 . 1 1 91 91 TYR HE2 H 1 6.5000 . . . . . . . . . . . 7061 1 1125 . 1 1 91 91 TYR CA C 13 57.9100 . . . . . . . . . . . 7061 1 1126 . 1 1 91 91 TYR CB C 13 37.0600 . . . . . . . . . . . 7061 1 1127 . 1 1 91 91 TYR CD1 C 13 131.4700 . . . . . . . . . . . 7061 1 1128 . 1 1 91 91 TYR CD2 C 13 131.4700 . . . . . . . . . . . 7061 1 1129 . 1 1 91 91 TYR CE1 C 13 116.7700 . . . . . . . . . . . 7061 1 1130 . 1 1 91 91 TYR CE2 C 13 116.7700 . . . . . . . . . . . 7061 1 1131 . 1 1 91 91 TYR N N 15 122.5100 . . . . . . . . . . . 7061 1 1132 . 1 1 92 92 ILE H H 1 8.7500 . . . . . . . . . . . 7061 1 1133 . 1 1 92 92 ILE HA H 1 3.7700 . . . . . . . . . . . 7061 1 1134 . 1 1 92 92 ILE HB H 1 2.0800 . . . . . . . . . . . 7061 1 1135 . 1 1 92 92 ILE HG12 H 1 1.9400 . . . . . . . . . . . 7061 1 1136 . 1 1 92 92 ILE HG13 H 1 1.9400 . . . . . . . . . . . 7061 1 1137 . 1 1 92 92 ILE HG21 H 1 1.1000 . . . . . . . . . . . 7061 1 1138 . 1 1 92 92 ILE HG22 H 1 1.1000 . . . . . . . . . . . 7061 1 1139 . 1 1 92 92 ILE HG23 H 1 1.1000 . . . . . . . . . . . 7061 1 1140 . 1 1 92 92 ILE HD11 H 1 0.9600 . . . . . . . . . . . 7061 1 1141 . 1 1 92 92 ILE HD12 H 1 0.9600 . . . . . . . . . . . 7061 1 1142 . 1 1 92 92 ILE HD13 H 1 0.9600 . . . . . . . . . . . 7061 1 1143 . 1 1 92 92 ILE CA C 13 65.9200 . . . . . . . . . . . 7061 1 1144 . 1 1 92 92 ILE CB C 13 37.1600 . . . . . . . . . . . 7061 1 1145 . 1 1 92 92 ILE CG1 C 13 26.2800 . . . . . . . . . . . 7061 1 1146 . 1 1 92 92 ILE CG2 C 13 17.5600 . . . . . . . . . . . 7061 1 1147 . 1 1 92 92 ILE CD1 C 13 14.4000 . . . . . . . . . . . 7061 1 1148 . 1 1 92 92 ILE N N 15 123.3400 . . . . . . . . . . . 7061 1 1149 . 1 1 93 93 ASP H H 1 8.0600 . . . . . . . . . . . 7061 1 1150 . 1 1 93 93 ASP HA H 1 4.5000 . . . . . . . . . . . 7061 1 1151 . 1 1 93 93 ASP HB2 H 1 2.7500 . . . . . . . . . . . 7061 1 1152 . 1 1 93 93 ASP HB3 H 1 2.9000 . . . . . . . . . . . 7061 1 1153 . 1 1 93 93 ASP CA C 13 57.8600 . . . . . . . . . . . 7061 1 1154 . 1 1 93 93 ASP CB C 13 41.2400 . . . . . . . . . . . 7061 1 1155 . 1 1 93 93 ASP N N 15 121.1100 . . . . . . . . . . . 7061 1 1156 . 1 1 94 94 ILE H H 1 7.4000 . . . . . . . . . . . 7061 1 1157 . 1 1 94 94 ILE HA H 1 3.7100 . . . . . . . . . . . 7061 1 1158 . 1 1 94 94 ILE HB H 1 2.1000 . . . . . . . . . . . 7061 1 1159 . 1 1 94 94 ILE HG12 H 1 1.9700 . . . . . . . . . . . 7061 1 1160 . 1 1 94 94 ILE HG13 H 1 2.0100 . . . . . . . . . . . 7061 1 1161 . 1 1 94 94 ILE HG21 H 1 0.9800 . . . . . . . . . . . 7061 1 1162 . 1 1 94 94 ILE HG22 H 1 0.9800 . . . . . . . . . . . 7061 1 1163 . 1 1 94 94 ILE HG23 H 1 0.9800 . . . . . . . . . . . 7061 1 1164 . 1 1 94 94 ILE HD11 H 1 1.2300 . . . . . . . . . . . 7061 1 1165 . 1 1 94 94 ILE HD12 H 1 1.2300 . . . . . . . . . . . 7061 1 1166 . 1 1 94 94 ILE HD13 H 1 1.2300 . . . . . . . . . . . 7061 1 1167 . 1 1 94 94 ILE CA C 13 65.1700 . . . . . . . . . . . 7061 1 1168 . 1 1 94 94 ILE CB C 13 38.1000 . . . . . . . . . . . 7061 1 1169 . 1 1 94 94 ILE CG1 C 13 28.8600 . . . . . . . . . . . 7061 1 1170 . 1 1 94 94 ILE CG2 C 13 17.3200 . . . . . . . . . . . 7061 1 1171 . 1 1 94 94 ILE CD1 C 13 13.5200 . . . . . . . . . . . 7061 1 1172 . 1 1 94 94 ILE N N 15 118.1800 . . . . . . . . . . . 7061 1 1173 . 1 1 95 95 ILE H H 1 7.4400 . . . . . . . . . . . 7061 1 1174 . 1 1 95 95 ILE HA H 1 3.6200 . . . . . . . . . . . 7061 1 1175 . 1 1 95 95 ILE HB H 1 2.0900 . . . . . . . . . . . 7061 1 1176 . 1 1 95 95 ILE HG12 H 1 -0.2800 . . . . . . . . . . . 7061 1 1177 . 1 1 95 95 ILE HG13 H 1 1.1000 . . . . . . . . . . . 7061 1 1178 . 1 1 95 95 ILE HG21 H 1 0.9000 . . . . . . . . . . . 7061 1 1179 . 1 1 95 95 ILE HG22 H 1 0.9000 . . . . . . . . . . . 7061 1 1180 . 1 1 95 95 ILE HG23 H 1 0.9000 . . . . . . . . . . . 7061 1 1181 . 1 1 95 95 ILE HD11 H 1 0.1300 . . . . . . . . . . . 7061 1 1182 . 1 1 95 95 ILE HD12 H 1 0.1300 . . . . . . . . . . . 7061 1 1183 . 1 1 95 95 ILE HD13 H 1 0.1300 . . . . . . . . . . . 7061 1 1184 . 1 1 95 95 ILE CA C 13 65.4600 . . . . . . . . . . . 7061 1 1185 . 1 1 95 95 ILE CB C 13 38.2000 . . . . . . . . . . . 7061 1 1186 . 1 1 95 95 ILE CG1 C 13 26.2800 . . . . . . . . . . . 7061 1 1187 . 1 1 95 95 ILE CG2 C 13 17.7300 . . . . . . . . . . . 7061 1 1188 . 1 1 95 95 ILE CD1 C 13 13.8900 . . . . . . . . . . . 7061 1 1189 . 1 1 95 95 ILE N N 15 121.7600 . . . . . . . . . . . 7061 1 1190 . 1 1 96 96 LEU H H 1 8.6000 . . . . . . . . . . . 7061 1 1191 . 1 1 96 96 LEU HA H 1 3.9100 . . . . . . . . . . . 7061 1 1192 . 1 1 96 96 LEU HB2 H 1 1.5300 . . . . . . . . . . . 7061 1 1193 . 1 1 96 96 LEU HB3 H 1 2.1100 . . . . . . . . . . . 7061 1 1194 . 1 1 96 96 LEU HG H 1 1.6000 . . . . . . . . . . . 7061 1 1195 . 1 1 96 96 LEU HD11 H 1 0.9100 . . . . . . . . . . . 7061 1 1196 . 1 1 96 96 LEU HD12 H 1 0.9100 . . . . . . . . . . . 7061 1 1197 . 1 1 96 96 LEU HD13 H 1 0.9100 . . . . . . . . . . . 7061 1 1198 . 1 1 96 96 LEU HD21 H 1 0.3700 . . . . . . . . . . . 7061 1 1199 . 1 1 96 96 LEU HD22 H 1 0.3700 . . . . . . . . . . . 7061 1 1200 . 1 1 96 96 LEU HD23 H 1 0.3700 . . . . . . . . . . . 7061 1 1201 . 1 1 96 96 LEU CA C 13 57.9700 . . . . . . . . . . . 7061 1 1202 . 1 1 96 96 LEU CB C 13 42.1400 . . . . . . . . . . . 7061 1 1203 . 1 1 96 96 LEU CG C 13 26.6800 . . . . . . . . . . . 7061 1 1204 . 1 1 96 96 LEU CD1 C 13 24.2100 . . . . . . . . . . . 7061 1 1205 . 1 1 96 96 LEU CD2 C 13 21.6700 . . . . . . . . . . . 7061 1 1206 . 1 1 96 96 LEU N N 15 121.3500 . . . . . . . . . . . 7061 1 1207 . 1 1 97 97 LYS H H 1 8.0400 . . . . . . . . . . . 7061 1 1208 . 1 1 97 97 LYS HA H 1 3.9900 . . . . . . . . . . . 7061 1 1209 . 1 1 97 97 LYS HB2 H 1 1.9200 . . . . . . . . . . . 7061 1 1210 . 1 1 97 97 LYS HB3 H 1 2.0200 . . . . . . . . . . . 7061 1 1211 . 1 1 97 97 LYS HG2 H 1 1.4600 . . . . . . . . . . . 7061 1 1212 . 1 1 97 97 LYS HG3 H 1 1.4600 . . . . . . . . . . . 7061 1 1213 . 1 1 97 97 LYS HD2 H 1 1.6400 . . . . . . . . . . . 7061 1 1214 . 1 1 97 97 LYS HD3 H 1 1.9200 . . . . . . . . . . . 7061 1 1215 . 1 1 97 97 LYS HE2 H 1 2.9800 . . . . . . . . . . . 7061 1 1216 . 1 1 97 97 LYS HE3 H 1 2.9800 . . . . . . . . . . . 7061 1 1217 . 1 1 97 97 LYS CA C 13 58.8700 . . . . . . . . . . . 7061 1 1218 . 1 1 97 97 LYS CB C 13 32.5100 . . . . . . . . . . . 7061 1 1219 . 1 1 97 97 LYS CG C 13 25.8500 . . . . . . . . . . . 7061 1 1220 . 1 1 97 97 LYS CD C 13 28.8500 . . . . . . . . . . . 7061 1 1221 . 1 1 97 97 LYS CE C 13 42.1900 . . . . . . . . . . . 7061 1 1222 . 1 1 97 97 LYS N N 15 118.4800 . . . . . . . . . . . 7061 1 1223 . 1 1 98 98 LYS H H 1 7.8200 . . . . . . . . . . . 7061 1 1224 . 1 1 98 98 LYS HA H 1 4.1600 . . . . . . . . . . . 7061 1 1225 . 1 1 98 98 LYS HB2 H 1 1.8300 . . . . . . . . . . . 7061 1 1226 . 1 1 98 98 LYS HB3 H 1 1.9200 . . . . . . . . . . . 7061 1 1227 . 1 1 98 98 LYS HG2 H 1 1.4600 . . . . . . . . . . . 7061 1 1228 . 1 1 98 98 LYS HG3 H 1 1.5500 . . . . . . . . . . . 7061 1 1229 . 1 1 98 98 LYS HD2 H 1 1.6700 . . . . . . . . . . . 7061 1 1230 . 1 1 98 98 LYS HD3 H 1 1.7500 . . . . . . . . . . . 7061 1 1231 . 1 1 98 98 LYS HE2 H 1 3.0200 . . . . . . . . . . . 7061 1 1232 . 1 1 98 98 LYS HE3 H 1 3.0200 . . . . . . . . . . . 7061 1 1233 . 1 1 98 98 LYS CA C 13 58.2100 . . . . . . . . . . . 7061 1 1234 . 1 1 98 98 LYS CB C 13 32.4600 . . . . . . . . . . . 7061 1 1235 . 1 1 98 98 LYS CG C 13 25.2100 . . . . . . . . . . . 7061 1 1236 . 1 1 98 98 LYS CD C 13 29.2300 . . . . . . . . . . . 7061 1 1237 . 1 1 98 98 LYS CE C 13 42.3900 . . . . . . . . . . . 7061 1 1238 . 1 1 98 98 LYS N N 15 119.8700 . . . . . . . . . . . 7061 1 1239 . 1 1 99 99 LYS H H 1 7.9500 . . . . . . . . . . . 7061 1 1240 . 1 1 99 99 LYS HA H 1 4.1600 . . . . . . . . . . . 7061 1 1241 . 1 1 99 99 LYS HB2 H 1 1.8300 . . . . . . . . . . . 7061 1 1242 . 1 1 99 99 LYS HB3 H 1 1.9200 . . . . . . . . . . . 7061 1 1243 . 1 1 99 99 LYS HG2 H 1 1.4600 . . . . . . . . . . . 7061 1 1244 . 1 1 99 99 LYS HG3 H 1 1.5500 . . . . . . . . . . . 7061 1 1245 . 1 1 99 99 LYS HD2 H 1 1.6700 . . . . . . . . . . . 7061 1 1246 . 1 1 99 99 LYS HD3 H 1 1.7500 . . . . . . . . . . . 7061 1 1247 . 1 1 99 99 LYS HE2 H 1 3.0200 . . . . . . . . . . . 7061 1 1248 . 1 1 99 99 LYS HE3 H 1 3.0200 . . . . . . . . . . . 7061 1 1249 . 1 1 99 99 LYS CA C 13 57.9000 . . . . . . . . . . . 7061 1 1250 . 1 1 99 99 LYS CB C 13 32.5900 . . . . . . . . . . . 7061 1 1251 . 1 1 99 99 LYS CG C 13 24.8400 . . . . . . . . . . . 7061 1 1252 . 1 1 99 99 LYS CD C 13 29.2300 . . . . . . . . . . . 7061 1 1253 . 1 1 99 99 LYS CE C 13 42.3900 . . . . . . . . . . . 7061 1 1254 . 1 1 99 99 LYS N N 15 120.8300 . . . . . . . . . . . 7061 1 1255 . 1 1 100 100 LYS H H 1 8.0800 . . . . . . . . . . . 7061 1 1256 . 1 1 100 100 LYS HA H 1 4.3000 . . . . . . . . . . . 7061 1 1257 . 1 1 100 100 LYS HB2 H 1 1.7900 . . . . . . . . . . . 7061 1 1258 . 1 1 100 100 LYS HB3 H 1 1.8700 . . . . . . . . . . . 7061 1 1259 . 1 1 100 100 LYS HG2 H 1 1.4400 . . . . . . . . . . . 7061 1 1260 . 1 1 100 100 LYS HG3 H 1 1.5400 . . . . . . . . . . . 7061 1 1261 . 1 1 100 100 LYS HD2 H 1 1.6700 . . . . . . . . . . . 7061 1 1262 . 1 1 100 100 LYS HD3 H 1 1.6700 . . . . . . . . . . . 7061 1 1263 . 1 1 100 100 LYS HE2 H 1 2.9800 . . . . . . . . . . . 7061 1 1264 . 1 1 100 100 LYS HE3 H 1 2.9800 . . . . . . . . . . . 7061 1 1265 . 1 1 100 100 LYS CA C 13 56.7900 . . . . . . . . . . . 7061 1 1266 . 1 1 100 100 LYS CB C 13 32.6700 . . . . . . . . . . . 7061 1 1267 . 1 1 100 100 LYS CG C 13 24.6700 . . . . . . . . . . . 7061 1 1268 . 1 1 100 100 LYS CD C 13 28.8600 . . . . . . . . . . . 7061 1 1269 . 1 1 100 100 LYS CE C 13 42.1900 . . . . . . . . . . . 7061 1 1270 . 1 1 100 100 LYS N N 15 120.1000 . . . . . . . . . . . 7061 1 1271 . 1 1 101 101 SER H H 1 8.0100 . . . . . . . . . . . 7061 1 1272 . 1 1 101 101 SER HA H 1 4.4100 . . . . . . . . . . . 7061 1 1273 . 1 1 101 101 SER HB2 H 1 3.9400 . . . . . . . . . . . 7061 1 1274 . 1 1 101 101 SER HB3 H 1 3.9400 . . . . . . . . . . . 7061 1 1275 . 1 1 101 101 SER CA C 13 58.7200 . . . . . . . . . . . 7061 1 1276 . 1 1 101 101 SER CB C 13 63.6500 . . . . . . . . . . . 7061 1 1277 . 1 1 101 101 SER N N 15 116.1500 . . . . . . . . . . . 7061 1 1278 . 1 1 102 102 LYS H H 1 8.1700 . . . . . . . . . . . 7061 1 1279 . 1 1 102 102 LYS HA H 1 4.3000 . . . . . . . . . . . 7061 1 1280 . 1 1 102 102 LYS HB2 H 1 1.7900 . . . . . . . . . . . 7061 1 1281 . 1 1 102 102 LYS HB3 H 1 1.8700 . . . . . . . . . . . 7061 1 1282 . 1 1 102 102 LYS HG2 H 1 1.4400 . . . . . . . . . . . 7061 1 1283 . 1 1 102 102 LYS HG3 H 1 1.5400 . . . . . . . . . . . 7061 1 1284 . 1 1 102 102 LYS HD2 H 1 1.6700 . . . . . . . . . . . 7061 1 1285 . 1 1 102 102 LYS HD3 H 1 1.6700 . . . . . . . . . . . 7061 1 1286 . 1 1 102 102 LYS HE2 H 1 2.9800 . . . . . . . . . . . 7061 1 1287 . 1 1 102 102 LYS HE3 H 1 2.9800 . . . . . . . . . . . 7061 1 1288 . 1 1 102 102 LYS CA C 13 56.4900 . . . . . . . . . . . 7061 1 1289 . 1 1 102 102 LYS CB C 13 32.6900 . . . . . . . . . . . 7061 1 1290 . 1 1 102 102 LYS CG C 13 24.3600 . . . . . . . . . . . 7061 1 1291 . 1 1 102 102 LYS CD C 13 28.9000 . . . . . . . . . . . 7061 1 1292 . 1 1 102 102 LYS CE C 13 42.1900 . . . . . . . . . . . 7061 1 1293 . 1 1 102 102 LYS N N 15 122.5900 . . . . . . . . . . . 7061 1 1294 . 1 1 103 103 ASP H H 1 8.1500 . . . . . . . . . . . 7061 1 1295 . 1 1 103 103 ASP HA H 1 4.5100 . . . . . . . . . . . 7061 1 1296 . 1 1 103 103 ASP HB2 H 1 2.5400 . . . . . . . . . . . 7061 1 1297 . 1 1 103 103 ASP HB3 H 1 2.5400 . . . . . . . . . . . 7061 1 1298 . 1 1 103 103 ASP CA C 13 54.4000 . . . . . . . . . . . 7061 1 1299 . 1 1 103 103 ASP CB C 13 41.1300 . . . . . . . . . . . 7061 1 1300 . 1 1 103 103 ASP N N 15 120.5300 . . . . . . . . . . . 7061 1 1301 . 1 1 104 104 HIS H H 1 8.0000 . . . . . . . . . . . 7061 1 1302 . 1 1 104 104 HIS HA H 1 4.5900 . . . . . . . . . . . 7061 1 1303 . 1 1 104 104 HIS HB2 H 1 3.1200 . . . . . . . . . . . 7061 1 1304 . 1 1 104 104 HIS HB3 H 1 3.1200 . . . . . . . . . . . 7061 1 1305 . 1 1 104 104 HIS HD2 H 1 7.9800 . . . . . . . . . . . 7061 1 1306 . 1 1 104 104 HIS HE1 H 1 7.3300 . . . . . . . . . . . 7061 1 1307 . 1 1 104 104 HIS CA C 13 55.2800 . . . . . . . . . . . 7061 1 1308 . 1 1 104 104 HIS CB C 13 29.7200 . . . . . . . . . . . 7061 1 1309 . 1 1 104 104 HIS CD2 C 13 119.1000 . . . . . . . . . . . 7061 1 1310 . 1 1 104 104 HIS CE1 C 13 136.6900 . . . . . . . . . . . 7061 1 1311 . 1 1 104 104 HIS N N 15 118.3000 . . . . . . . . . . . 7061 1 1312 . 1 1 105 105 PHE H H 1 7.8700 . . . . . . . . . . . 7061 1 1313 . 1 1 105 105 PHE HA H 1 4.4300 . . . . . . . . . . . 7061 1 1314 . 1 1 105 105 PHE HB2 H 1 2.9800 . . . . . . . . . . . 7061 1 1315 . 1 1 105 105 PHE HB3 H 1 3.1800 . . . . . . . . . . . 7061 1 1316 . 1 1 105 105 PHE HD1 H 1 6.7500 . . . . . . . . . . . 7061 1 1317 . 1 1 105 105 PHE HD2 H 1 6.7500 . . . . . . . . . . . 7061 1 1318 . 1 1 105 105 PHE HE1 H 1 7.1700 . . . . . . . . . . . 7061 1 1319 . 1 1 105 105 PHE HE2 H 1 7.1700 . . . . . . . . . . . 7061 1 1320 . 1 1 105 105 PHE HZ H 1 7.2700 . . . . . . . . . . . 7061 1 1321 . 1 1 105 105 PHE CA C 13 59.0600 . . . . . . . . . . . 7061 1 1322 . 1 1 105 105 PHE CB C 13 39.9800 . . . . . . . . . . . 7061 1 1323 . 1 1 105 105 PHE CD1 C 13 131.3200 . . . . . . . . . . . 7061 1 1324 . 1 1 105 105 PHE CD2 C 13 131.3200 . . . . . . . . . . . 7061 1 1325 . 1 1 105 105 PHE CE1 C 13 129.4800 . . . . . . . . . . . 7061 1 1326 . 1 1 105 105 PHE CE2 C 13 129.4800 . . . . . . . . . . . 7061 1 1327 . 1 1 105 105 PHE CZ C 13 130.9500 . . . . . . . . . . . 7061 1 1328 . 1 1 105 105 PHE N N 15 126.7400 . . . . . . . . . . . 7061 1 1329 . 1 1 106 106 GLY H H 1 8.1400 . . . . . . . . . . . 7061 1 1330 . 1 1 106 106 GLY HA2 H 1 3.6700 . . . . . . . . . . . 7061 1 1331 . 1 1 106 106 GLY HA3 H 1 4.1900 . . . . . . . . . . . 7061 1 1332 . 1 1 106 106 GLY CA C 13 43.3900 . . . . . . . . . . . 7061 1 1333 . 1 1 106 106 GLY N N 15 107.7200 . . . . . . . . . . . 7061 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 7061 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 7061 2 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 . 2 2 1 1 SER H H 1 8.3700 . . . . . . . . . . . 7061 2 2 . 2 2 1 1 SER HA H 1 5.3500 . . . . . . . . . . . 7061 2 3 . 2 2 1 1 SER HB2 H 1 3.5100 . . . . . . . . . . . 7061 2 4 . 2 2 1 1 SER HB3 H 1 3.7000 . . . . . . . . . . . 7061 2 5 . 2 2 1 1 SER CA C 13 56.1200 . . . . . . . . . . . 7061 2 6 . 2 2 1 1 SER CB C 13 65.2200 . . . . . . . . . . . 7061 2 7 . 2 2 1 1 SER N N 15 122.9200 . . . . . . . . . . . 7061 2 8 . 2 2 2 2 TRP H H 1 9.0000 . . . . . . . . . . . 7061 2 9 . 2 2 2 2 TRP HA H 1 4.0000 . . . . . . . . . . . 7061 2 10 . 2 2 2 2 TRP HB2 H 1 3.2800 . . . . . . . . . . . 7061 2 11 . 2 2 2 2 TRP HB3 H 1 3.1800 . . . . . . . . . . . 7061 2 12 . 2 2 2 2 TRP HD1 H 1 7.2600 . . . . . . . . . . . 7061 2 13 . 2 2 2 2 TRP HE1 H 1 10.1200 . . . . . . . . . . . 7061 2 14 . 2 2 2 2 TRP HE3 H 1 7.1100 . . . . . . . . . . . 7061 2 15 . 2 2 2 2 TRP HZ2 H 1 7.4000 . . . . . . . . . . . 7061 2 16 . 2 2 2 2 TRP HZ3 H 1 7.5700 . . . . . . . . . . . 7061 2 17 . 2 2 2 2 TRP HH2 H 1 7.2200 . . . . . . . . . . . 7061 2 18 . 2 2 2 2 TRP CA C 13 56.8300 . . . . . . . . . . . 7061 2 19 . 2 2 2 2 TRP CB C 13 33.0800 . . . . . . . . . . . 7061 2 20 . 2 2 2 2 TRP CD1 C 13 126.5500 . . . . . . . . . . . 7061 2 21 . 2 2 2 2 TRP CE3 C 13 121.4200 . . . . . . . . . . . 7061 2 22 . 2 2 2 2 TRP CZ2 C 13 114.9100 . . . . . . . . . . . 7061 2 23 . 2 2 2 2 TRP CZ3 C 13 121.7600 . . . . . . . . . . . 7061 2 24 . 2 2 2 2 TRP CH2 C 13 124.6900 . . . . . . . . . . . 7061 2 25 . 2 2 2 2 TRP N N 15 122.3000 . . . . . . . . . . . 7061 2 26 . 2 2 2 2 TRP NE1 N 15 129.1200 . . . . . . . . . . . 7061 2 27 . 2 2 3 3 VAL H H 1 9.2600 . . . . . . . . . . . 7061 2 28 . 2 2 3 3 VAL HA H 1 3.8800 . . . . . . . . . . . 7061 2 29 . 2 2 3 3 VAL HB H 1 1.8700 . . . . . . . . . . . 7061 2 30 . 2 2 3 3 VAL HG11 H 1 0.7700 . . . . . . . . . . . 7061 2 31 . 2 2 3 3 VAL HG12 H 1 0.7700 . . . . . . . . . . . 7061 2 32 . 2 2 3 3 VAL HG13 H 1 0.7700 . . . . . . . . . . . 7061 2 33 . 2 2 3 3 VAL HG21 H 1 0.5200 . . . . . . . . . . . 7061 2 34 . 2 2 3 3 VAL HG22 H 1 0.5200 . . . . . . . . . . . 7061 2 35 . 2 2 3 3 VAL HG23 H 1 0.5200 . . . . . . . . . . . 7061 2 36 . 2 2 3 3 VAL CA C 13 58.1100 . . . . . . . . . . . 7061 2 37 . 2 2 3 3 VAL CB C 13 36.0500 . . . . . . . . . . . 7061 2 38 . 2 2 3 3 VAL CG1 C 13 17.8800 . . . . . . . . . . . 7061 2 39 . 2 2 3 3 VAL CG2 C 13 23.1500 . . . . . . . . . . . 7061 2 40 . 2 2 3 3 VAL N N 15 117.0800 . . . . . . . . . . . 7061 2 41 . 2 2 4 4 PTR H H 1 8.5800 . . . . . . . . . . . 7061 2 42 . 2 2 4 4 PTR HA H 1 5.1700 . . . . . . . . . . . 7061 2 43 . 2 2 4 4 PTR HB2 H 1 3.1200 . . . . . . . . . . . 7061 2 44 . 2 2 4 4 PTR HB3 H 1 2.7800 . . . . . . . . . . . 7061 2 45 . 2 2 4 4 PTR HD1 H 1 6.0900 . . . . . . . . . . . 7061 2 46 . 2 2 4 4 PTR HD2 H 1 6.0900 . . . . . . . . . . . 7061 2 47 . 2 2 4 4 PTR HE1 H 1 5.8600 . . . . . . . . . . . 7061 2 48 . 2 2 4 4 PTR HE2 H 1 5.8600 . . . . . . . . . . . 7061 2 49 . 2 2 4 4 PTR CA C 13 57.0400 . . . . . . . . . . . 7061 2 50 . 2 2 4 4 PTR CB C 13 40.4100 . . . . . . . . . . . 7061 2 51 . 2 2 4 4 PTR CD1 C 13 132.1600 . . . . . . . . . . . 7061 2 52 . 2 2 4 4 PTR CD2 C 13 132.1600 . . . . . . . . . . . 7061 2 53 . 2 2 4 4 PTR CE1 C 13 117.9100 . . . . . . . . . . . 7061 2 54 . 2 2 4 4 PTR CE2 C 13 117.9100 . . . . . . . . . . . 7061 2 55 . 2 2 4 4 PTR N N 15 123.4900 . . . . . . . . . . . 7061 2 56 . 2 2 5 5 SER H H 1 7.8600 . . . . . . . . . . . 7061 2 57 . 2 2 5 5 SER HA H 1 3.6000 . . . . . . . . . . . 7061 2 58 . 2 2 5 5 SER HB2 H 1 3.6000 . . . . . . . . . . . 7061 2 59 . 2 2 5 5 SER HB3 H 1 3.6000 . . . . . . . . . . . 7061 2 60 . 2 2 5 5 SER CA C 13 56.1200 . . . . . . . . . . . 7061 2 61 . 2 2 5 5 SER CB C 13 65.2200 . . . . . . . . . . . 7061 2 62 . 2 2 5 5 SER N N 15 122.9200 . . . . . . . . . . . 7061 2 63 . 2 2 6 6 PRO HA H 1 4.3500 . . . . . . . . . . . 7061 2 64 . 2 2 6 6 PRO HB2 H 1 1.8400 . . . . . . . . . . . 7061 2 65 . 2 2 6 6 PRO HB3 H 1 1.9500 . . . . . . . . . . . 7061 2 66 . 2 2 6 6 PRO HG2 H 1 2.2800 . . . . . . . . . . . 7061 2 67 . 2 2 6 6 PRO HG3 H 1 2.2800 . . . . . . . . . . . 7061 2 68 . 2 2 6 6 PRO HD2 H 1 3.5200 . . . . . . . . . . . 7061 2 69 . 2 2 6 6 PRO HD3 H 1 3.6300 . . . . . . . . . . . 7061 2 70 . 2 2 6 6 PRO CA C 13 65.1300 . . . . . . . . . . . 7061 2 71 . 2 2 6 6 PRO CB C 13 32.3200 . . . . . . . . . . . 7061 2 72 . 2 2 6 6 PRO CG C 13 27.8900 . . . . . . . . . . . 7061 2 73 . 2 2 6 6 PRO CD C 13 50.1000 . . . . . . . . . . . 7061 2 74 . 2 2 7 7 LEU H H 1 8.3100 . . . . . . . . . . . 7061 2 75 . 2 2 7 7 LEU HA H 1 4.1800 . . . . . . . . . . . 7061 2 76 . 2 2 7 7 LEU HB2 H 1 1.5300 . . . . . . . . . . . 7061 2 77 . 2 2 7 7 LEU HB3 H 1 1.4300 . . . . . . . . . . . 7061 2 78 . 2 2 7 7 LEU HG H 1 1.4300 . . . . . . . . . . . 7061 2 79 . 2 2 7 7 LEU HD11 H 1 0.8500 . . . . . . . . . . . 7061 2 80 . 2 2 7 7 LEU HD12 H 1 0.8500 . . . . . . . . . . . 7061 2 81 . 2 2 7 7 LEU HD13 H 1 0.8500 . . . . . . . . . . . 7061 2 82 . 2 2 7 7 LEU HD21 H 1 0.7900 . . . . . . . . . . . 7061 2 83 . 2 2 7 7 LEU HD22 H 1 0.7900 . . . . . . . . . . . 7061 2 84 . 2 2 7 7 LEU HD23 H 1 0.7900 . . . . . . . . . . . 7061 2 85 . 2 2 7 7 LEU CA C 13 57.9700 . . . . . . . . . . . 7061 2 86 . 2 2 7 7 LEU CB C 13 42.1400 . . . . . . . . . . . 7061 2 87 . 2 2 7 7 LEU CG C 13 26.6800 . . . . . . . . . . . 7061 2 88 . 2 2 7 7 LEU CD1 C 13 24.2100 . . . . . . . . . . . 7061 2 89 . 2 2 7 7 LEU CD2 C 13 21.6700 . . . . . . . . . . . 7061 2 90 . 2 2 7 7 LEU N N 15 121.3500 . . . . . . . . . . . 7061 2 91 . 2 2 8 8 HIS H H 1 8.2100 . . . . . . . . . . . 7061 2 92 . 2 2 8 8 HIS HA H 1 4.6100 . . . . . . . . . . . 7061 2 93 . 2 2 8 8 HIS HB2 H 1 3.0800 . . . . . . . . . . . 7061 2 94 . 2 2 8 8 HIS HB3 H 1 3.2000 . . . . . . . . . . . 7061 2 95 . 2 2 8 8 HIS HD2 H 1 7.4600 . . . . . . . . . . . 7061 2 96 . 2 2 8 8 HIS HE1 H 1 7.1200 . . . . . . . . . . . 7061 2 97 . 2 2 8 8 HIS CA C 13 55.2800 . . . . . . . . . . . 7061 2 98 . 2 2 8 8 HIS CB C 13 29.7200 . . . . . . . . . . . 7061 2 99 . 2 2 8 8 HIS CD2 C 13 119.1000 . . . . . . . . . . . 7061 2 100 . 2 2 8 8 HIS CE1 C 13 136.6900 . . . . . . . . . . . 7061 2 101 . 2 2 8 8 HIS N N 15 118.3000 . . . . . . . . . . . 7061 2 stop_ save_