data_16771 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16771 _Entry.Title ; Integrin beta3 subunit in a disulfide linked alphaIIb-beta3 cytosolic domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-10 _Entry.Accession_date 2010-03-10 _Entry.Last_release_date 2011-05-19 _Entry.Original_release_date 2011-05-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Douglas Metcalf . G. . 16771 2 Joseph Kielec . M. . 16771 3 Kathleen Valentine . G. . 16771 4 'A Joshua' Wand . . . 16771 5 Joel Bennett . S. . 16771 6 DeGrado William . F. . 16771 7 David Moore . T. . 16771 8 Kathleen Molnar . . . 16771 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16771 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID beta3 . 16771 CD61 . 16771 GPIIIa . 16771 'integrin beta3' . 16771 'platelet glycoprotein IIIa' . 16771 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16771 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 231 16771 '15N chemical shifts' 62 16771 '1H chemical shifts' 379 16771 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-05-19 2010-03-10 original author . 16771 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1KUP . 16771 PDB 1KUZ . 16771 PDB 1M8O . 16771 PDB 2K9J . 16771 PDB 2KV9 'BMRB Entry Tracking System' 16771 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16771 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21156831 _Citation.Full_citation . _Citation.Title 'NMR analysis of the alphaIIb beta3 cytoplasmic interaction suggests a mechanism for integrin regulation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 107 _Citation.Journal_issue 52 _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 22481 _Citation.Page_last 22486 _Citation.Year 2010 _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 Douglas Metcalf . G. . 16771 1 2 David Moore . T. . 16771 1 3 Yibing Wu . . . 16771 1 4 Joseph Kielec . M. . 16771 1 5 Kathleen Molnar . . . 16771 1 6 Kathleen Valentine . G. . 16771 1 7 'A. Joshua' Wand . . . 16771 1 8 Joel Bennett . S. . 16771 1 9 William DeGrado . F. . 16771 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16771 _Assembly.ID 1 _Assembly.Name alphaIIb_beta3 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11694.1 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 alphaIIb 1 $alphaIIb A . yes native no no . . . 16771 1 2 beta3 2 $beta3 B . yes native no no . . . 16771 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 4 4 SG . 2 . 2 CYS 25 25 SG . . . . . . . . . . 16771 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 4 4 HG . 4 CYS HG 16771 1 . . 2 2 CYS 25 25 HG . 25 CYS HG 16771 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_alphaIIb _Entity.Sf_category entity _Entity.Sf_framecode alphaIIb _Entity.Entry_ID 16771 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name alphaIIb _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SPECWKVGFFKRNRPPLEED DEEGE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 25 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2994.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1DPK . "Solution Structure Of The Cytoplasmic Domain Of The Integrin Alpha-Iib Subunit" . . . . . 80.00 20 100.00 100.00 1.28e-03 . . . . 16771 1 2 no PDB 1M8O . "Platelet Integrin Alfaiib-Beta3 Cytoplasmic Domain" . . . . . 80.00 20 100.00 100.00 1.28e-03 . . . . 16771 1 3 no PDB 1S4W . "Nmr Structure Of The Cytoplasmic Domain Of Integrin Aiib In Dpc Micelles" . . . . . 80.00 20 100.00 100.00 1.28e-03 . . . . 16771 1 4 no PDB 2MTP . "The Structure Of Filamin Repeat 21 Bound To Integrin" . . . . . 84.00 21 100.00 100.00 7.86e-05 . . . . 16771 1 5 no DBJ BAG37735 . "unnamed protein product [Homo sapiens]" . . . . . 84.00 1039 100.00 100.00 2.72e-05 . . . . 16771 1 6 no DBJ BAI46167 . "integrin, alpha 2b [synthetic construct]" . . . . . 84.00 1039 100.00 100.00 2.67e-05 . . . . 16771 1 7 no EMBL CAA29987 . "platelet glycoprotein IIb (648 AA) [Homo sapiens]" . . . . . 84.00 648 100.00 100.00 3.33e-05 . . . . 16771 1 8 no GB AAA52597 . "glycoprotein IIb, partial [Homo sapiens]" . . . . . 84.00 172 100.00 100.00 4.83e-05 . . . . 16771 1 9 no GB AAA53150 . "platelet Glycoprotein IIb (GPIIb), partial [Homo sapiens]" . . . . . 84.00 1039 100.00 100.00 2.52e-05 . . . . 16771 1 10 no GB AAA60114 . "platelet membrane glycoprotein IIb [Homo sapiens]" . . . . . 84.00 1039 100.00 100.00 2.64e-05 . . . . 16771 1 11 no GB AAA65936 . "glycoprotein IIb, partial [Papio cynocephalus]" . . . . . 84.00 604 100.00 100.00 3.58e-05 . . . . 16771 1 12 no GB AAI17444 . "Integrin, alpha 2b (platelet glycoprotein IIb of IIb/IIIa complex, antigen CD41) [Homo sapiens]" . . . . . 84.00 1039 100.00 100.00 2.67e-05 . . . . 16771 1 13 no REF NP_000410 . "integrin alpha-IIb preproprotein [Homo sapiens]" . . . . . 84.00 1039 100.00 100.00 2.67e-05 . . . . 16771 1 14 no REF NP_001014929 . "integrin alpha-IIb [Bos taurus]" . . . . . 52.00 937 100.00 100.00 6.05e+00 . . . . 16771 1 15 no REF NP_001075262 . "integrin alpha-IIb precursor [Equus caballus]" . . . . . 52.00 1036 100.00 100.00 7.39e+00 . . . . 16771 1 16 no REF XP_001114526 . "PREDICTED: integrin alpha-IIb [Macaca mulatta]" . . . . . 84.00 1039 100.00 100.00 2.45e-05 . . . . 16771 1 17 no REF XP_001150497 . "PREDICTED: integrin alpha-IIb isoform X2 [Pan troglodytes]" . . . . . 84.00 1108 100.00 100.00 2.21e-05 . . . . 16771 1 18 no SP P08514 . "RecName: Full=Integrin alpha-IIb; AltName: Full=GPalpha IIb; Short=GPIIb; AltName: Full=Platelet membrane glycoprotein IIb; Alt" . . . . . 84.00 1039 100.00 100.00 2.67e-05 . . . . 16771 1 19 no SP P53711 . "RecName: Full=Integrin alpha-IIb; AltName: Full=GPalpha IIb; Short=GPIIb; AltName: Full=Platelet membrane glycoprotein IIb; Alt" . . . . . 84.00 604 100.00 100.00 3.58e-05 . . . . 16771 1 20 no TPG DAA18359 . "TPA: integrin alpha 2b [Bos taurus]" . . . . . 52.00 937 100.00 100.00 6.40e+00 . . . . 16771 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 . SER . 16771 1 2 . PRO . 16771 1 3 . GLU . 16771 1 4 . CYS . 16771 1 5 . TRP . 16771 1 6 . LYS . 16771 1 7 . VAL . 16771 1 8 . GLY . 16771 1 9 . PHE . 16771 1 10 . PHE . 16771 1 11 . LYS . 16771 1 12 . ARG . 16771 1 13 . ASN . 16771 1 14 . ARG . 16771 1 15 . PRO . 16771 1 16 . PRO . 16771 1 17 . LEU . 16771 1 18 . GLU . 16771 1 19 . GLU . 16771 1 20 . ASP . 16771 1 21 . ASP . 16771 1 22 . GLU . 16771 1 23 . GLU . 16771 1 24 . GLY . 16771 1 25 . GLU . 16771 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 . SER 1 1 16771 1 . PRO 2 2 16771 1 . GLU 3 3 16771 1 . CYS 4 4 16771 1 . TRP 5 5 16771 1 . LYS 6 6 16771 1 . VAL 7 7 16771 1 . GLY 8 8 16771 1 . PHE 9 9 16771 1 . PHE 10 10 16771 1 . LYS 11 11 16771 1 . ARG 12 12 16771 1 . ASN 13 13 16771 1 . ARG 14 14 16771 1 . PRO 15 15 16771 1 . PRO 16 16 16771 1 . LEU 17 17 16771 1 . GLU 18 18 16771 1 . GLU 19 19 16771 1 . ASP 20 20 16771 1 . ASP 21 21 16771 1 . GLU 22 22 16771 1 . GLU 23 23 16771 1 . GLY 24 24 16771 1 . GLU 25 25 16771 1 stop_ save_ save_beta3 _Entity.Sf_category entity _Entity.Sf_framecode beta3 _Entity.Entry_ID 16771 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name beta3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MSPECLIWKLLITIHDRKEF AKFEEERARAKWDTANNPLY KEATSTFTNITYRGT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8699.9 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15552 . beta3_integrin . . . . . 62.67 49 100.00 100.00 1.06e-24 . . . . 16771 2 2 no BMRB 16496 . B3TMCD . . . . . 68.00 79 98.04 98.04 2.74e-28 . . . . 16771 2 3 no PDB 1M8O . "Platelet Integrin Alfaiib-Beta3 Cytoplasmic Domain" . . . . . 62.67 47 100.00 100.00 7.49e-25 . . . . 16771 2 4 no PDB 2KNC . "Platelet Integrin Alfaiib-Beta3 Transmembrane-Cytoplasmic Heterocomplex" . . . . . 68.00 79 98.04 98.04 2.74e-28 . . . . 16771 2 5 no PDB 2KV9 . "Integrin Beta3 Subunit In A Disulfide Linked Alphaiib-Beta3 Cytosolic Domain" . . . . . 100.00 75 100.00 100.00 6.50e-48 . . . . 16771 2 6 no DBJ BAE34283 . "unnamed protein product [Mus musculus]" . . . . . 66.67 787 100.00 100.00 2.19e-26 . . . . 16771 2 7 no DBJ BAJ17755 . "integrin, beta 3 [synthetic construct]" . . . . . 66.67 788 100.00 100.00 2.19e-26 . . . . 16771 2 8 no EMBL CAD29521 . "integrin beta3 subunit [Rattus norvegicus]" . . . . . 66.67 787 100.00 100.00 2.19e-26 . . . . 16771 2 9 no GB AAA35927 . "plate glycoprotein IIIa (GPIIIa) [Homo sapiens]" . . . . . 66.67 788 100.00 100.00 2.19e-26 . . . . 16771 2 10 no GB AAA52589 . "glycoprotein IIIa precursor [Homo sapiens]" . . . . . 66.67 788 100.00 100.00 2.19e-26 . . . . 16771 2 11 no GB AAA52600 . "platelet glycoprotein IIIa, partial [Homo sapiens]" . . . . . 66.67 761 100.00 100.00 2.06e-26 . . . . 16771 2 12 no GB AAA60122 . "glycoprotein IIIa [Homo sapiens]" . . . . . 66.67 788 100.00 100.00 2.19e-26 . . . . 16771 2 13 no GB AAB27096 . "beta 3 integrin, GPIIIA [rats, Peptide Partial, 723 aa]" . . . . . 66.67 723 100.00 100.00 1.87e-26 . . . . 16771 2 14 no REF NP_000203 . "integrin beta-3 precursor [Homo sapiens]" . . . . . 66.67 788 100.00 100.00 2.19e-26 . . . . 16771 2 15 no REF NP_001003162 . "integrin beta-3 precursor [Canis lupus familiaris]" . . . . . 66.67 784 100.00 100.00 2.18e-26 . . . . 16771 2 16 no REF NP_001075271 . "integrin beta-3 precursor [Equus caballus]" . . . . . 66.67 784 100.00 100.00 2.18e-26 . . . . 16771 2 17 no REF NP_001075535 . "integrin beta-3 precursor [Oryctolagus cuniculus]" . . . . . 66.67 788 100.00 100.00 2.19e-26 . . . . 16771 2 18 no REF NP_001193419 . "integrin beta-3 precursor [Bos taurus]" . . . . . 66.67 784 100.00 100.00 2.18e-26 . . . . 16771 2 19 no SP O54890 . "RecName: Full=Integrin beta-3; AltName: Full=Platelet membrane glycoprotein IIIa; Short=GPIIIa; AltName: CD_antigen=CD61; Flags" . . . . . 66.67 787 100.00 100.00 2.19e-26 . . . . 16771 2 20 no SP P05106 . "RecName: Full=Integrin beta-3; AltName: Full=Platelet membrane glycoprotein IIIa; Short=GPIIIa; AltName: CD_antigen=CD61; Flags" . . . . . 66.67 788 100.00 100.00 2.19e-26 . . . . 16771 2 21 no TPG DAA18403 . "TPA: integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61) [Bos taurus]" . . . . . 66.67 784 100.00 100.00 2.18e-26 . . . . 16771 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 1 688 MET . 16771 2 2 689 GLY . 16771 2 3 690 SER . 16771 2 4 691 SER . 16771 2 5 692 HIS . 16771 2 6 693 HIS . 16771 2 7 694 HIS . 16771 2 8 695 HIS . 16771 2 9 696 HIS . 16771 2 10 697 HIS . 16771 2 11 698 SER . 16771 2 12 699 SER . 16771 2 13 700 GLY . 16771 2 14 701 LEU . 16771 2 15 702 VAL . 16771 2 16 703 PRO . 16771 2 17 704 ARG . 16771 2 18 705 GLY . 16771 2 19 706 SER . 16771 2 20 707 HIS . 16771 2 21 708 MET . 16771 2 22 709 SER . 16771 2 23 710 PRO . 16771 2 24 711 GLU . 16771 2 25 712 CYS . 16771 2 26 713 LEU . 16771 2 27 714 ILE . 16771 2 28 715 TRP . 16771 2 29 716 LYS . 16771 2 30 717 LEU . 16771 2 31 718 LEU . 16771 2 32 719 ILE . 16771 2 33 720 THR . 16771 2 34 721 ILE . 16771 2 35 722 HIS . 16771 2 36 723 ASP . 16771 2 37 724 ARG . 16771 2 38 725 LYS . 16771 2 39 726 GLU . 16771 2 40 727 PHE . 16771 2 41 728 ALA . 16771 2 42 729 LYS . 16771 2 43 730 PHE . 16771 2 44 731 GLU . 16771 2 45 732 GLU . 16771 2 46 733 GLU . 16771 2 47 734 ARG . 16771 2 48 735 ALA . 16771 2 49 736 ARG . 16771 2 50 737 ALA . 16771 2 51 738 LYS . 16771 2 52 739 TRP . 16771 2 53 740 ASP . 16771 2 54 741 THR . 16771 2 55 742 ALA . 16771 2 56 743 ASN . 16771 2 57 744 ASN . 16771 2 58 745 PRO . 16771 2 59 746 LEU . 16771 2 60 747 TYR . 16771 2 61 748 LYS . 16771 2 62 749 GLU . 16771 2 63 750 ALA . 16771 2 64 751 THR . 16771 2 65 752 SER . 16771 2 66 753 THR . 16771 2 67 754 PHE . 16771 2 68 755 THR . 16771 2 69 756 ASN . 16771 2 70 757 ILE . 16771 2 71 758 THR . 16771 2 72 759 TYR . 16771 2 73 760 ARG . 16771 2 74 761 GLY . 16771 2 75 762 THR . 16771 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16771 2 . GLY 2 2 16771 2 . SER 3 3 16771 2 . SER 4 4 16771 2 . HIS 5 5 16771 2 . HIS 6 6 16771 2 . HIS 7 7 16771 2 . HIS 8 8 16771 2 . HIS 9 9 16771 2 . HIS 10 10 16771 2 . SER 11 11 16771 2 . SER 12 12 16771 2 . GLY 13 13 16771 2 . LEU 14 14 16771 2 . VAL 15 15 16771 2 . PRO 16 16 16771 2 . ARG 17 17 16771 2 . GLY 18 18 16771 2 . SER 19 19 16771 2 . HIS 20 20 16771 2 . MET 21 21 16771 2 . SER 22 22 16771 2 . PRO 23 23 16771 2 . GLU 24 24 16771 2 . CYS 25 25 16771 2 . LEU 26 26 16771 2 . ILE 27 27 16771 2 . TRP 28 28 16771 2 . LYS 29 29 16771 2 . LEU 30 30 16771 2 . LEU 31 31 16771 2 . ILE 32 32 16771 2 . THR 33 33 16771 2 . ILE 34 34 16771 2 . HIS 35 35 16771 2 . ASP 36 36 16771 2 . ARG 37 37 16771 2 . LYS 38 38 16771 2 . GLU 39 39 16771 2 . PHE 40 40 16771 2 . ALA 41 41 16771 2 . LYS 42 42 16771 2 . PHE 43 43 16771 2 . GLU 44 44 16771 2 . GLU 45 45 16771 2 . GLU 46 46 16771 2 . ARG 47 47 16771 2 . ALA 48 48 16771 2 . ARG 49 49 16771 2 . ALA 50 50 16771 2 . LYS 51 51 16771 2 . TRP 52 52 16771 2 . ASP 53 53 16771 2 . THR 54 54 16771 2 . ALA 55 55 16771 2 . ASN 56 56 16771 2 . ASN 57 57 16771 2 . PRO 58 58 16771 2 . LEU 59 59 16771 2 . TYR 60 60 16771 2 . LYS 61 61 16771 2 . GLU 62 62 16771 2 . ALA 63 63 16771 2 . THR 64 64 16771 2 . SER 65 65 16771 2 . THR 66 66 16771 2 . PHE 67 67 16771 2 . THR 68 68 16771 2 . ASN 69 69 16771 2 . ILE 70 70 16771 2 . THR 71 71 16771 2 . TYR 72 72 16771 2 . ARG 73 73 16771 2 . GLY 74 74 16771 2 . THR 75 75 16771 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 16771 _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 $alphaIIb . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16771 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 16771 _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 $alphaIIb . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET-16b . . . 'The alphaIIb subunit was expressed in the pET-16b vector as a C-terminal fusion with the designed protein alpha3D, a small, highly stable peptide that expresses well in E. coli and is unrelated to integrin alphaIIb. The alphaIIb fragment was subsequently cleaved from the fusion protein using thrombin.' . . 16771 1 2 2 $beta3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET-15b . . . 'The beta3 subunit was expressed as a C-terminal fusion to the pET-15b histidine tag.' . . 16771 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16771 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 16771 1 2 DPC '[U-99% 2H]' . . . . . . 100 . . mM . . . . 16771 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16771 1 4 TFA 'natural abundance' . . . . . . 25 . . mM . . . . 16771 1 5 entity_beta3 '[U-99% 13C; U-99% 15N]' . . 2 $beta3 . . 1 . . mM . . . . 16771 1 6 entity_alphaIIb 'natural abundance' . . 1 $alphaIIb . . 1 . . mM . . . . 16771 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16771 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16771 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16771 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10% 13C used to distinguish pro-chiral methyls in valine and leucine side chains.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 16771 2 2 DPC '[U-99% 2H]' . . . . . . 100 . . mM . . . . 16771 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16771 2 4 TFA 'natural abundance' . . . . . . 25 . . mM . . . . 16771 2 5 entity_beta3 '[U-10% 13C; U-99% 15N]' . . 2 $beta3 . . 1 . . mM . . . . 16771 2 6 entity_alphaIIb 'natural abundance' . . 1 $alphaIIb . . 1 . . mM . . . . 16771 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16771 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16771 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16771 _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 6.0 . pH 16771 1 pressure 1 . atm 16771 1 temperature 310 . K 16771 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16771 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16771 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16771 1 'structure solution' 16771 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16771 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16771 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16771 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16771 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16771 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16771 3 'peak picking' 16771 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16771 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16771 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16771 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 750 . . . 16771 1 2 spectrometer_2 Varian INOVA . 500 . . . 16771 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 16771 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16771 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16771 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16771 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16771 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16771 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16771 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16771 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16771 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16771 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16771 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16771 1 12 '4D (13C)HSQC-NOESY-(13C)HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16771 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16771 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.25 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 16771 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 16771 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.1 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 16771 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16771 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 16771 1 2 '3D HNCO' . . . 16771 1 3 '3D HNCACB' . . . 16771 1 4 '3D HCCH-TOCSY' . . . 16771 1 6 '3D 1H-15N NOESY' . . . 16771 1 7 '3D 1H-15N TOCSY' . . . 16771 1 8 '3D 1H-13C NOESY' . . . 16771 1 9 '2D 1H-15N HSQC' . . . 16771 1 11 '2D 1H-13C HSQC' . . . 16771 1 12 '4D (13C)HSQC-NOESY-(13C)HSQC' . . . 16771 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 16771 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 . 2 2 26 26 LEU H H 1 8.2 . . 1 . . . . 713 LEU H . 16771 1 2 . 2 2 26 26 LEU HA H 1 4.12 . . 1 . . . . 713 LEU HA . 16771 1 3 . 2 2 26 26 LEU HB2 H 1 1.86 . . 2 . . . . 713 LEU HB2 . 16771 1 4 . 2 2 26 26 LEU HB3 H 1 1.68 . . 2 . . . . 713 LEU HB3 . 16771 1 5 . 2 2 26 26 LEU HD11 H 1 0.92 . . 1 . . . . 713 LEU MD1 . 16771 1 6 . 2 2 26 26 LEU HD12 H 1 0.92 . . 1 . . . . 713 LEU MD1 . 16771 1 7 . 2 2 26 26 LEU HD13 H 1 0.92 . . 1 . . . . 713 LEU MD1 . 16771 1 8 . 2 2 26 26 LEU HD21 H 1 0.91 . . 1 . . . . 713 LEU MD2 . 16771 1 9 . 2 2 26 26 LEU HD22 H 1 0.91 . . 1 . . . . 713 LEU MD2 . 16771 1 10 . 2 2 26 26 LEU HD23 H 1 0.91 . . 1 . . . . 713 LEU MD2 . 16771 1 11 . 2 2 26 26 LEU HG H 1 1.7 . . 1 . . . . 713 LEU HG . 16771 1 12 . 2 2 26 26 LEU C C 13 173.7 . . 1 . . . . 713 LEU C . 16771 1 13 . 2 2 26 26 LEU CA C 13 58.6 . . 1 . . . . 713 LEU CA . 16771 1 14 . 2 2 26 26 LEU CB C 13 42.14 . . 1 . . . . 713 LEU CB . 16771 1 15 . 2 2 26 26 LEU CD1 C 13 25.14 . . 1 . . . . 713 LEU CD1 . 16771 1 16 . 2 2 26 26 LEU CD2 C 13 24.67 . . 1 . . . . 713 LEU CD2 . 16771 1 17 . 2 2 26 26 LEU CG C 13 27.46 . . 1 . . . . 713 LEU CG . 16771 1 18 . 2 2 26 26 LEU N N 15 122.7 . . 1 . . . . 713 LEU N . 16771 1 19 . 2 2 27 27 ILE H H 1 8.2 . . 1 . . . . 714 ILE H . 16771 1 20 . 2 2 27 27 ILE HA H 1 3.68 . . 1 . . . . 714 ILE HA . 16771 1 21 . 2 2 27 27 ILE HB H 1 1.95 . . 1 . . . . 714 ILE HB . 16771 1 22 . 2 2 27 27 ILE HD11 H 1 0.82 . . 1 . . . . 714 ILE MD . 16771 1 23 . 2 2 27 27 ILE HD12 H 1 0.82 . . 1 . . . . 714 ILE MD . 16771 1 24 . 2 2 27 27 ILE HD13 H 1 0.82 . . 1 . . . . 714 ILE MD . 16771 1 25 . 2 2 27 27 ILE HG12 H 1 1.68 . . 2 . . . . 714 ILE HG12 . 16771 1 26 . 2 2 27 27 ILE HG13 H 1 1.17 . . 2 . . . . 714 ILE HG13 . 16771 1 27 . 2 2 27 27 ILE HG21 H 1 0.86 . . 1 . . . . 714 ILE MG . 16771 1 28 . 2 2 27 27 ILE HG22 H 1 0.86 . . 1 . . . . 714 ILE MG . 16771 1 29 . 2 2 27 27 ILE HG23 H 1 0.86 . . 1 . . . . 714 ILE MG . 16771 1 30 . 2 2 27 27 ILE C C 13 174.8 . . 1 . . . . 714 ILE C . 16771 1 31 . 2 2 27 27 ILE CA C 13 64.7 . . 1 . . . . 714 ILE CA . 16771 1 32 . 2 2 27 27 ILE CB C 13 37.46 . . 1 . . . . 714 ILE CB . 16771 1 33 . 2 2 27 27 ILE CD1 C 13 12.99 . . 1 . . . . 714 ILE CD1 . 16771 1 34 . 2 2 27 27 ILE CG1 C 13 29.5 . . 1 . . . . 714 ILE CG1 . 16771 1 35 . 2 2 27 27 ILE CG2 C 13 17.95 . . 1 . . . . 714 ILE CG2 . 16771 1 36 . 2 2 27 27 ILE N N 15 117.4 . . 1 . . . . 714 ILE N . 16771 1 37 . 2 2 28 28 TRP H H 1 7.84 . . 1 . . . . 715 TRP H . 16771 1 38 . 2 2 28 28 TRP HA H 1 4.36 . . 1 . . . . 715 TRP HA . 16771 1 39 . 2 2 28 28 TRP HB2 H 1 3.46 . . 2 . . . . 715 TRP HB2 . 16771 1 40 . 2 2 28 28 TRP HB3 H 1 3.31 . . 2 . . . . 715 TRP HB3 . 16771 1 41 . 2 2 28 28 TRP HD1 H 1 7.11 . . 1 . . . . 715 TRP HD1 . 16771 1 42 . 2 2 28 28 TRP HE3 H 1 7.33 . . 1 . . . . 715 TRP HE3 . 16771 1 43 . 2 2 28 28 TRP HZ3 H 1 6.82 . . 1 . . . . 715 TRP HZ3 . 16771 1 44 . 2 2 28 28 TRP C C 13 175 . . 1 . . . . 715 TRP C . 16771 1 45 . 2 2 28 28 TRP CA C 13 60.6 . . 1 . . . . 715 TRP CA . 16771 1 46 . 2 2 28 28 TRP CB C 13 29.86 . . 1 . . . . 715 TRP CB . 16771 1 47 . 2 2 28 28 TRP CD1 C 13 126.9 . . 1 . . . . 715 TRP CD1 . 16771 1 48 . 2 2 28 28 TRP CE3 C 13 120.8 . . 1 . . . . 715 TRP CE3 . 16771 1 49 . 2 2 28 28 TRP CZ3 C 13 121.2 . . 1 . . . . 715 TRP CZ3 . 16771 1 50 . 2 2 28 28 TRP N N 15 120.2 . . 1 . . . . 715 TRP N . 16771 1 51 . 2 2 29 29 LYS H H 1 8.06 . . 1 . . . . 716 LYS H . 16771 1 52 . 2 2 29 29 LYS HA H 1 3.81 . . 1 . . . . 716 LYS HA . 16771 1 53 . 2 2 29 29 LYS HB2 H 1 1.99 . . 2 . . . . 716 LYS HB2 . 16771 1 54 . 2 2 29 29 LYS HB3 H 1 1.9 . . 2 . . . . 716 LYS HB3 . 16771 1 55 . 2 2 29 29 LYS HD2 H 1 1.64 . . 1 . . . . 716 LYS HD2 . 16771 1 56 . 2 2 29 29 LYS HD3 H 1 1.64 . . 1 . . . . 716 LYS HD3 . 16771 1 57 . 2 2 29 29 LYS HE2 H 1 2.87 . . 1 . . . . 716 LYS HE2 . 16771 1 58 . 2 2 29 29 LYS HE3 H 1 2.87 . . 1 . . . . 716 LYS HE3 . 16771 1 59 . 2 2 29 29 LYS HG2 H 1 1.51 . . 2 . . . . 716 LYS HG2 . 16771 1 60 . 2 2 29 29 LYS HG3 H 1 1.4 . . 2 . . . . 716 LYS HG3 . 16771 1 61 . 2 2 29 29 LYS C C 13 175.9 . . 1 . . . . 716 LYS C . 16771 1 62 . 2 2 29 29 LYS CA C 13 59.3 . . 1 . . . . 716 LYS CA . 16771 1 63 . 2 2 29 29 LYS CB C 13 32.44 . . 1 . . . . 716 LYS CB . 16771 1 64 . 2 2 29 29 LYS CD C 13 29.41 . . 1 . . . . 716 LYS CD . 16771 1 65 . 2 2 29 29 LYS CE C 13 42.3 . . 1 . . . . 716 LYS CE . 16771 1 66 . 2 2 29 29 LYS CG C 13 25.63 . . 1 . . . . 716 LYS CG . 16771 1 67 . 2 2 29 29 LYS N N 15 116.4 . . 1 . . . . 716 LYS N . 16771 1 68 . 2 2 30 30 LEU H H 1 8.19 . . 1 . . . . 717 LEU H . 16771 1 69 . 2 2 30 30 LEU HA H 1 3.97 . . 1 . . . . 717 LEU HA . 16771 1 70 . 2 2 30 30 LEU HB2 H 1 1.88 . . 2 . . . . 717 LEU HB2 . 16771 1 71 . 2 2 30 30 LEU HB3 H 1 1.74 . . 2 . . . . 717 LEU HB3 . 16771 1 72 . 2 2 30 30 LEU HD11 H 1 0.86 . . 1 . . . . 717 LEU MD1 . 16771 1 73 . 2 2 30 30 LEU HD12 H 1 0.86 . . 1 . . . . 717 LEU MD1 . 16771 1 74 . 2 2 30 30 LEU HD13 H 1 0.86 . . 1 . . . . 717 LEU MD1 . 16771 1 75 . 2 2 30 30 LEU HD21 H 1 0.83 . . 1 . . . . 717 LEU MD2 . 16771 1 76 . 2 2 30 30 LEU HD22 H 1 0.83 . . 1 . . . . 717 LEU MD2 . 16771 1 77 . 2 2 30 30 LEU HD23 H 1 0.83 . . 1 . . . . 717 LEU MD2 . 16771 1 78 . 2 2 30 30 LEU HG H 1 1.68 . . 1 . . . . 717 LEU HG . 16771 1 79 . 2 2 30 30 LEU C C 13 174.1 . . 1 . . . . 717 LEU C . 16771 1 80 . 2 2 30 30 LEU CA C 13 58.59 . . 1 . . . . 717 LEU CA . 16771 1 81 . 2 2 30 30 LEU CB C 13 41.87 . . 1 . . . . 717 LEU CB . 16771 1 82 . 2 2 30 30 LEU CD1 C 13 24.59 . . 1 . . . . 717 LEU CD1 . 16771 1 83 . 2 2 30 30 LEU CD2 C 13 24.92 . . 1 . . . . 717 LEU CD2 . 16771 1 84 . 2 2 30 30 LEU CG C 13 27.27 . . 1 . . . . 717 LEU CG . 16771 1 85 . 2 2 30 30 LEU N N 15 121.5 . . 1 . . . . 717 LEU N . 16771 1 86 . 2 2 31 31 LEU H H 1 8.18 . . 1 . . . . 718 LEU H . 16771 1 87 . 2 2 31 31 LEU HA H 1 3.88 . . 1 . . . . 718 LEU HA . 16771 1 88 . 2 2 31 31 LEU HB2 H 1 1.81 . . 2 . . . . 718 LEU HB2 . 16771 1 89 . 2 2 31 31 LEU HB3 H 1 1.29 . . 2 . . . . 718 LEU HB3 . 16771 1 90 . 2 2 31 31 LEU HD11 H 1 0.79 . . 1 . . . . 718 LEU MD1 . 16771 1 91 . 2 2 31 31 LEU HD12 H 1 0.79 . . 1 . . . . 718 LEU MD1 . 16771 1 92 . 2 2 31 31 LEU HD13 H 1 0.79 . . 1 . . . . 718 LEU MD1 . 16771 1 93 . 2 2 31 31 LEU HD21 H 1 0.74 . . 1 . . . . 718 LEU MD2 . 16771 1 94 . 2 2 31 31 LEU HD22 H 1 0.74 . . 1 . . . . 718 LEU MD2 . 16771 1 95 . 2 2 31 31 LEU HD23 H 1 0.74 . . 1 . . . . 718 LEU MD2 . 16771 1 96 . 2 2 31 31 LEU HG H 1 1.86 . . 1 . . . . 718 LEU HG . 16771 1 97 . 2 2 31 31 LEU C C 13 172.9 . . 1 . . . . 718 LEU C . 16771 1 98 . 2 2 31 31 LEU CA C 13 58.49 . . 1 . . . . 718 LEU CA . 16771 1 99 . 2 2 31 31 LEU CB C 13 41.37 . . 1 . . . . 718 LEU CB . 16771 1 100 . 2 2 31 31 LEU CD1 C 13 25.89 . . 1 . . . . 718 LEU CD1 . 16771 1 101 . 2 2 31 31 LEU CD2 C 13 23.12 . . 1 . . . . 718 LEU CD2 . 16771 1 102 . 2 2 31 31 LEU CG C 13 26.97 . . 1 . . . . 718 LEU CG . 16771 1 103 . 2 2 31 31 LEU N N 15 118.9 . . 1 . . . . 718 LEU N . 16771 1 104 . 2 2 32 32 ILE H H 1 8.12 . . 1 . . . . 719 ILE H . 16771 1 105 . 2 2 32 32 ILE HA H 1 3.61 . . 1 . . . . 719 ILE HA . 16771 1 106 . 2 2 32 32 ILE HB H 1 1.67 . . 1 . . . . 719 ILE HB . 16771 1 107 . 2 2 32 32 ILE HD11 H 1 0.5 . . 1 . . . . 719 ILE MD . 16771 1 108 . 2 2 32 32 ILE HD12 H 1 0.5 . . 1 . . . . 719 ILE MD . 16771 1 109 . 2 2 32 32 ILE HD13 H 1 0.5 . . 1 . . . . 719 ILE MD . 16771 1 110 . 2 2 32 32 ILE HG12 H 1 1.16 . . 2 . . . . 719 ILE HG12 . 16771 1 111 . 2 2 32 32 ILE HG13 H 1 0.92 . . 2 . . . . 719 ILE HG13 . 16771 1 112 . 2 2 32 32 ILE HG21 H 1 0.66 . . 1 . . . . 719 ILE MG . 16771 1 113 . 2 2 32 32 ILE HG22 H 1 0.66 . . 1 . . . . 719 ILE MG . 16771 1 114 . 2 2 32 32 ILE HG23 H 1 0.66 . . 1 . . . . 719 ILE MG . 16771 1 115 . 2 2 32 32 ILE C C 13 174 . . 1 . . . . 719 ILE C . 16771 1 116 . 2 2 32 32 ILE CA C 13 64.05 . . 1 . . . . 719 ILE CA . 16771 1 117 . 2 2 32 32 ILE CB C 13 37.41 . . 1 . . . . 719 ILE CB . 16771 1 118 . 2 2 32 32 ILE CD1 C 13 12.84 . . 1 . . . . 719 ILE CD1 . 16771 1 119 . 2 2 32 32 ILE CG1 C 13 28.14 . . 1 . . . . 719 ILE CG1 . 16771 1 120 . 2 2 32 32 ILE CG2 C 13 17.9 . . 1 . . . . 719 ILE CG2 . 16771 1 121 . 2 2 32 32 ILE N N 15 117.2 . . 1 . . . . 719 ILE N . 16771 1 122 . 2 2 33 33 THR H H 1 7.66 . . 1 . . . . 720 THR H . 16771 1 123 . 2 2 33 33 THR HA H 1 3.97 . . 1 . . . . 720 THR HA . 16771 1 124 . 2 2 33 33 THR HB H 1 4.37 . . 1 . . . . 720 THR HB . 16771 1 125 . 2 2 33 33 THR HG21 H 1 1.2 . . 1 . . . . 720 THR MG . 16771 1 126 . 2 2 33 33 THR HG22 H 1 1.2 . . 1 . . . . 720 THR MG . 16771 1 127 . 2 2 33 33 THR HG23 H 1 1.2 . . 1 . . . . 720 THR MG . 16771 1 128 . 2 2 33 33 THR C C 13 66.96 . . 1 . . . . 720 THR C . 16771 1 129 . 2 2 33 33 THR CA C 13 68.75 . . 1 . . . . 720 THR CA . 16771 1 130 . 2 2 33 33 THR CB C 13 21.62 . . 1 . . . . 720 THR CB . 16771 1 131 . 2 2 33 33 THR CG2 C 13 175.6 . . 1 . . . . 720 THR CG2 . 16771 1 132 . 2 2 33 33 THR N N 15 116.82 . . 1 . . . . 720 THR N . 16771 1 133 . 2 2 34 34 ILE H H 1 7.92 . . 1 . . . . 721 ILE H . 16771 1 134 . 2 2 34 34 ILE HA H 1 3.7 . . 1 . . . . 721 ILE HA . 16771 1 135 . 2 2 34 34 ILE HB H 1 1.89 . . 1 . . . . 721 ILE HB . 16771 1 136 . 2 2 34 34 ILE HD11 H 1 0.74 . . 1 . . . . 721 ILE MD . 16771 1 137 . 2 2 34 34 ILE HD12 H 1 0.74 . . 1 . . . . 721 ILE MD . 16771 1 138 . 2 2 34 34 ILE HD13 H 1 0.74 . . 1 . . . . 721 ILE MD . 16771 1 139 . 2 2 34 34 ILE HG12 H 1 1.66 . . 2 . . . . 721 ILE HG12 . 16771 1 140 . 2 2 34 34 ILE HG13 H 1 1.08 . . 2 . . . . 721 ILE HG13 . 16771 1 141 . 2 2 34 34 ILE HG21 H 1 0.78 . . 1 . . . . 721 ILE MG . 16771 1 142 . 2 2 34 34 ILE HG22 H 1 0.78 . . 1 . . . . 721 ILE MG . 16771 1 143 . 2 2 34 34 ILE HG23 H 1 0.78 . . 1 . . . . 721 ILE MG . 16771 1 144 . 2 2 34 34 ILE C C 13 175.2 . . 1 . . . . 721 ILE C . 16771 1 145 . 2 2 34 34 ILE CA C 13 64.73 . . 1 . . . . 721 ILE CA . 16771 1 146 . 2 2 34 34 ILE CB C 13 38.1 . . 1 . . . . 721 ILE CB . 16771 1 147 . 2 2 34 34 ILE CD1 C 13 13.78 . . 1 . . . . 721 ILE CD1 . 16771 1 148 . 2 2 34 34 ILE CG1 C 13 28.78 . . 1 . . . . 721 ILE CG1 . 16771 1 149 . 2 2 34 34 ILE CG2 C 13 17.92 . . 1 . . . . 721 ILE CG2 . 16771 1 150 . 2 2 34 34 ILE N N 15 119.3 . . 1 . . . . 721 ILE N . 16771 1 151 . 2 2 35 35 HIS H H 1 8.04 . . 1 . . . . 722 HIS H . 16771 1 152 . 2 2 35 35 HIS HA H 1 3.99 . . 1 . . . . 722 HIS HA . 16771 1 153 . 2 2 35 35 HIS HB2 H 1 3.28 . . 2 . . . . 722 HIS HB2 . 16771 1 154 . 2 2 35 35 HIS HB3 H 1 3.06 . . 2 . . . . 722 HIS HB3 . 16771 1 155 . 2 2 35 35 HIS HD2 H 1 7.07 . . 1 . . . . 722 HIS HD2 . 16771 1 156 . 2 2 35 35 HIS HE1 H 1 8.52 . . 1 . . . . 722 HIS HE1 . 16771 1 157 . 2 2 35 35 HIS C C 13 176.9 . . 1 . . . . 722 HIS C . 16771 1 158 . 2 2 35 35 HIS CA C 13 58.56 . . 1 . . . . 722 HIS CA . 16771 1 159 . 2 2 35 35 HIS CB C 13 28.95 . . 1 . . . . 722 HIS CB . 16771 1 160 . 2 2 35 35 HIS CD2 C 13 120.5 . . 1 . . . . 722 HIS CD2 . 16771 1 161 . 2 2 35 35 HIS CE1 C 13 137 . . 1 . . . . 722 HIS CE1 . 16771 1 162 . 2 2 35 35 HIS N N 15 117.3 . . 1 . . . . 722 HIS N . 16771 1 163 . 2 2 36 36 ASP H H 1 8.01 . . 1 . . . . 723 ASP H . 16771 1 164 . 2 2 36 36 ASP HA H 1 4.53 . . 1 . . . . 723 ASP HA . 16771 1 165 . 2 2 36 36 ASP HB2 H 1 2.77 . . 2 . . . . 723 ASP HB2 . 16771 1 166 . 2 2 36 36 ASP HB3 H 1 2.7 . . 2 . . . . 723 ASP HB3 . 16771 1 167 . 2 2 36 36 ASP C C 13 175 . . 1 . . . . 723 ASP C . 16771 1 168 . 2 2 36 36 ASP CA C 13 55.03 . . 1 . . . . 723 ASP CA . 16771 1 169 . 2 2 36 36 ASP CB C 13 41.23 . . 1 . . . . 723 ASP CB . 16771 1 170 . 2 2 36 36 ASP N N 15 117.5 . . 1 . . . . 723 ASP N . 16771 1 171 . 2 2 37 37 ARG H H 1 7.88 . . 1 . . . . 724 ARG H . 16771 1 172 . 2 2 37 37 ARG HA H 1 4.3 . . 1 . . . . 724 ARG HA . 16771 1 173 . 2 2 37 37 ARG HB2 H 1 2.21 . . 2 . . . . 724 ARG HB2 . 16771 1 174 . 2 2 37 37 ARG HB3 H 1 1.99 . . 2 . . . . 724 ARG HB3 . 16771 1 175 . 2 2 37 37 ARG HD2 H 1 3.24 . . 2 . . . . 724 ARG HD2 . 16771 1 176 . 2 2 37 37 ARG HD3 H 1 3.14 . . 2 . . . . 724 ARG HD3 . 16771 1 177 . 2 2 37 37 ARG HE H 1 7.86 . . 1 . . . . 724 ARG HE . 16771 1 178 . 2 2 37 37 ARG HG2 H 1 1.9 . . 2 . . . . 724 ARG HG2 . 16771 1 179 . 2 2 37 37 ARG HG3 H 1 1.73 . . 2 . . . . 724 ARG HG3 . 16771 1 180 . 2 2 37 37 ARG HH11 H 1 7.05 . . 1 . . . . 724 ARG HH11 . 16771 1 181 . 2 2 37 37 ARG HH12 H 1 7.05 . . 1 . . . . 724 ARG HH12 . 16771 1 182 . 2 2 37 37 ARG HH21 H 1 7.05 . . 1 . . . . 724 ARG HH21 . 16771 1 183 . 2 2 37 37 ARG HH22 H 1 7.05 . . 1 . . . . 724 ARG HH22 . 16771 1 184 . 2 2 37 37 ARG C C 13 174 . . 1 . . . . 724 ARG C . 16771 1 185 . 2 2 37 37 ARG CA C 13 56.29 . . 1 . . . . 724 ARG CA . 16771 1 186 . 2 2 37 37 ARG CB C 13 29.88 . . 1 . . . . 724 ARG CB . 16771 1 187 . 2 2 37 37 ARG CD C 13 42.86 . . 1 . . . . 724 ARG CD . 16771 1 188 . 2 2 37 37 ARG CG C 13 27.33 . . 1 . . . . 724 ARG CG . 16771 1 189 . 2 2 37 37 ARG N N 15 120.2 . . 1 . . . . 724 ARG N . 16771 1 190 . 2 2 37 37 ARG NE N 15 84.01 . . 1 . . . . 724 ARG NE . 16771 1 191 . 2 2 37 37 ARG NH1 N 15 72.53 . . 1 . . . . 724 ARG NH1 . 16771 1 192 . 2 2 37 37 ARG NH2 N 15 72.53 . . 1 . . . . 724 ARG NH2 . 16771 1 193 . 2 2 38 38 LYS H H 1 8.54 . . 1 . . . . 725 LYS H . 16771 1 194 . 2 2 38 38 LYS HA H 1 4.13 . . 1 . . . . 725 LYS HA . 16771 1 195 . 2 2 38 38 LYS HB2 H 1 1.86 . . 1 . . . . 725 LYS HB2 . 16771 1 196 . 2 2 38 38 LYS HB3 H 1 1.86 . . 1 . . . . 725 LYS HB3 . 16771 1 197 . 2 2 38 38 LYS HD2 H 1 1.67 . . 1 . . . . 725 LYS HD2 . 16771 1 198 . 2 2 38 38 LYS HD3 H 1 1.67 . . 1 . . . . 725 LYS HD3 . 16771 1 199 . 2 2 38 38 LYS HE2 H 1 2.98 . . 1 . . . . 725 LYS HE2 . 16771 1 200 . 2 2 38 38 LYS HE3 H 1 2.98 . . 1 . . . . 725 LYS HE3 . 16771 1 201 . 2 2 38 38 LYS HG2 H 1 1.46 . . 1 . . . . 725 LYS HG2 . 16771 1 202 . 2 2 38 38 LYS HG3 H 1 1.46 . . 1 . . . . 725 LYS HG3 . 16771 1 203 . 2 2 38 38 LYS C C 13 173.7 . . 1 . . . . 725 LYS C . 16771 1 204 . 2 2 38 38 LYS CA C 13 58.7 . . 1 . . . . 725 LYS CA . 16771 1 205 . 2 2 38 38 LYS CB C 13 32.09 . . 1 . . . . 725 LYS CB . 16771 1 206 . 2 2 38 38 LYS CD C 13 29.26 . . 1 . . . . 725 LYS CD . 16771 1 207 . 2 2 38 38 LYS CE C 13 42.3 . . 1 . . . . 725 LYS CE . 16771 1 208 . 2 2 38 38 LYS CG C 13 24.9 . . 1 . . . . 725 LYS CG . 16771 1 209 . 2 2 38 38 LYS N N 15 122.2 . . 1 . . . . 725 LYS N . 16771 1 210 . 2 2 39 39 GLU H H 1 8.78 . . 1 . . . . 726 GLU H . 16771 1 211 . 2 2 39 39 GLU HA H 1 4.07 . . 1 . . . . 726 GLU HA . 16771 1 212 . 2 2 39 39 GLU HB2 H 1 1.94 . . 2 . . . . 726 GLU HB2 . 16771 1 213 . 2 2 39 39 GLU HB3 H 1 1.9 . . 2 . . . . 726 GLU HB3 . 16771 1 214 . 2 2 39 39 GLU HG2 H 1 2.26 . . 1 . . . . 726 GLU HG2 . 16771 1 215 . 2 2 39 39 GLU HG3 H 1 2.26 . . 1 . . . . 726 GLU HG3 . 16771 1 216 . 2 2 39 39 GLU C C 13 174.1 . . 1 . . . . 726 GLU C . 16771 1 217 . 2 2 39 39 GLU CA C 13 59.05 . . 1 . . . . 726 GLU CA . 16771 1 218 . 2 2 39 39 GLU CB C 13 29.22 . . 1 . . . . 726 GLU CB . 16771 1 219 . 2 2 39 39 GLU CG C 13 36.48 . . 1 . . . . 726 GLU CG . 16771 1 220 . 2 2 39 39 GLU N N 15 118.8 . . 1 . . . . 726 GLU N . 16771 1 221 . 2 2 40 40 PHE H H 1 7.88 . . 1 . . . . 727 PHE H . 16771 1 222 . 2 2 40 40 PHE HA H 1 4.37 . . 1 . . . . 727 PHE HA . 16771 1 223 . 2 2 40 40 PHE HB2 H 1 3.27 . . 2 . . . . 727 PHE HB2 . 16771 1 224 . 2 2 40 40 PHE HB3 H 1 3.14 . . 2 . . . . 727 PHE HB3 . 16771 1 225 . 2 2 40 40 PHE HD1 H 1 7.2 . . 1 . . . . 727 PHE HD1 . 16771 1 226 . 2 2 40 40 PHE HD2 H 1 7.2 . . 1 . . . . 727 PHE HD2 . 16771 1 227 . 2 2 40 40 PHE C C 13 175.1 . . 1 . . . . 727 PHE C . 16771 1 228 . 2 2 40 40 PHE CA C 13 60.14 . . 1 . . . . 727 PHE CA . 16771 1 229 . 2 2 40 40 PHE CB C 13 39.42 . . 1 . . . . 727 PHE CB . 16771 1 230 . 2 2 40 40 PHE CD1 C 13 132 . . 1 . . . . 727 PHE CD1 . 16771 1 231 . 2 2 40 40 PHE CD2 C 13 132 . . 1 . . . . 727 PHE CD2 . 16771 1 232 . 2 2 40 40 PHE N N 15 118.7 . . 1 . . . . 727 PHE N . 16771 1 233 . 2 2 41 41 ALA H H 1 7.87 . . 1 . . . . 728 ALA H . 16771 1 234 . 2 2 41 41 ALA HA H 1 4.14 . . 1 . . . . 728 ALA HA . 16771 1 235 . 2 2 41 41 ALA HB1 H 1 1.47 . . 1 . . . . 728 ALA MB . 16771 1 236 . 2 2 41 41 ALA HB2 H 1 1.47 . . 1 . . . . 728 ALA MB . 16771 1 237 . 2 2 41 41 ALA HB3 H 1 1.47 . . 1 . . . . 728 ALA MB . 16771 1 238 . 2 2 41 41 ALA C C 13 172.5 . . 1 . . . . 728 ALA C . 16771 1 239 . 2 2 41 41 ALA CA C 13 54.8 . . 1 . . . . 728 ALA CA . 16771 1 240 . 2 2 41 41 ALA CB C 13 18.7 . . 1 . . . . 728 ALA CB . 16771 1 241 . 2 2 41 41 ALA N N 15 121.9 . . 1 . . . . 728 ALA N . 16771 1 242 . 2 2 42 42 LYS H H 1 7.85 . . 1 . . . . 729 LYS H . 16771 1 243 . 2 2 42 42 LYS HA H 1 4.15 . . 1 . . . . 729 LYS HA . 16771 1 244 . 2 2 42 42 LYS HB2 H 1 1.82 . . 1 . . . . 729 LYS HB2 . 16771 1 245 . 2 2 42 42 LYS HB3 H 1 1.82 . . 1 . . . . 729 LYS HB3 . 16771 1 246 . 2 2 42 42 LYS HD2 H 1 1.66 . . 1 . . . . 729 LYS HD2 . 16771 1 247 . 2 2 42 42 LYS HD3 H 1 1.66 . . 1 . . . . 729 LYS HD3 . 16771 1 248 . 2 2 42 42 LYS HE2 H 1 2.92 . . 1 . . . . 729 LYS HE2 . 16771 1 249 . 2 2 42 42 LYS HE3 H 1 2.92 . . 1 . . . . 729 LYS HE3 . 16771 1 250 . 2 2 42 42 LYS HG2 H 1 1.41 . . 2 . . . . 729 LYS HG2 . 16771 1 251 . 2 2 42 42 LYS HG3 H 1 1.36 . . 2 . . . . 729 LYS HG3 . 16771 1 252 . 2 2 42 42 LYS C C 13 174 . . 1 . . . . 729 LYS C . 16771 1 253 . 2 2 42 42 LYS CA C 13 58.14 . . 1 . . . . 729 LYS CA . 16771 1 254 . 2 2 42 42 LYS CB C 13 32.37 . . 1 . . . . 729 LYS CB . 16771 1 255 . 2 2 42 42 LYS CD C 13 29.2 . . 1 . . . . 729 LYS CD . 16771 1 256 . 2 2 42 42 LYS CE C 13 42.3 . . 1 . . . . 729 LYS CE . 16771 1 257 . 2 2 42 42 LYS CG C 13 25 . . 1 . . . . 729 LYS CG . 16771 1 258 . 2 2 42 42 LYS N N 15 117.7 . . 1 . . . . 729 LYS N . 16771 1 259 . 2 2 43 43 PHE H H 1 7.83 . . 1 . . . . 730 PHE H . 16771 1 260 . 2 2 43 43 PHE HA H 1 4.32 . . 1 . . . . 730 PHE HA . 16771 1 261 . 2 2 43 43 PHE HB2 H 1 3.15 . . 2 . . . . 730 PHE HB2 . 16771 1 262 . 2 2 43 43 PHE HB3 H 1 3.09 . . 2 . . . . 730 PHE HB3 . 16771 1 263 . 2 2 43 43 PHE HD1 H 1 7.13 . . 1 . . . . 730 PHE HD1 . 16771 1 264 . 2 2 43 43 PHE HD2 H 1 7.13 . . 1 . . . . 730 PHE HD2 . 16771 1 265 . 2 2 43 43 PHE C C 13 175.1 . . 1 . . . . 730 PHE C . 16771 1 266 . 2 2 43 43 PHE CA C 13 60.31 . . 1 . . . . 730 PHE CA . 16771 1 267 . 2 2 43 43 PHE CB C 13 39.24 . . 1 . . . . 730 PHE CB . 16771 1 268 . 2 2 43 43 PHE CD1 C 13 132.1 . . 1 . . . . 730 PHE CD1 . 16771 1 269 . 2 2 43 43 PHE CD2 C 13 132.1 . . 1 . . . . 730 PHE CD2 . 16771 1 270 . 2 2 43 43 PHE N N 15 119.7 . . 1 . . . . 730 PHE N . 16771 1 271 . 2 2 44 44 GLU H H 1 8.17 . . 1 . . . . 731 GLU H . 16771 1 272 . 2 2 44 44 GLU HA H 1 3.94 . . 1 . . . . 731 GLU HA . 16771 1 273 . 2 2 44 44 GLU HB2 H 1 2.01 . . 1 . . . . 731 GLU HB2 . 16771 1 274 . 2 2 44 44 GLU HB3 H 1 2.01 . . 1 . . . . 731 GLU HB3 . 16771 1 275 . 2 2 44 44 GLU HG2 H 1 2.25 . . 2 . . . . 731 GLU HG2 . 16771 1 276 . 2 2 44 44 GLU HG3 H 1 2.16 . . 2 . . . . 731 GLU HG3 . 16771 1 277 . 2 2 44 44 GLU C C 13 173.8 . . 1 . . . . 731 GLU C . 16771 1 278 . 2 2 44 44 GLU CA C 13 58.5 . . 1 . . . . 731 GLU CA . 16771 1 279 . 2 2 44 44 GLU CB C 13 29.5 . . 1 . . . . 731 GLU CB . 16771 1 280 . 2 2 44 44 GLU CG C 13 35.52 . . 1 . . . . 731 GLU CG . 16771 1 281 . 2 2 44 44 GLU N N 15 118.9 . . 1 . . . . 731 GLU N . 16771 1 282 . 2 2 45 45 GLU H H 1 8.06 . . 1 . . . . 732 GLU H . 16771 1 283 . 2 2 45 45 GLU HA H 1 4.03 . . 1 . . . . 732 GLU HA . 16771 1 284 . 2 2 45 45 GLU HB2 H 1 2.1 . . 1 . . . . 732 GLU HB2 . 16771 1 285 . 2 2 45 45 GLU HB3 H 1 2.1 . . 1 . . . . 732 GLU HB3 . 16771 1 286 . 2 2 45 45 GLU HG2 H 1 2.36 . . 2 . . . . 732 GLU HG2 . 16771 1 287 . 2 2 45 45 GLU HG3 H 1 2.23 . . 2 . . . . 732 GLU HG3 . 16771 1 288 . 2 2 45 45 GLU C C 13 173.7 . . 1 . . . . 732 GLU C . 16771 1 289 . 2 2 45 45 GLU CA C 13 58.87 . . 1 . . . . 732 GLU CA . 16771 1 290 . 2 2 45 45 GLU CB C 13 29.8 . . 1 . . . . 732 GLU CB . 16771 1 291 . 2 2 45 45 GLU CG C 13 36.12 . . 1 . . . . 732 GLU CG . 16771 1 292 . 2 2 45 45 GLU N N 15 120.1 . . 1 . . . . 732 GLU N . 16771 1 293 . 2 2 46 46 GLU H H 1 8.06 . . 1 . . . . 733 GLU H . 16771 1 294 . 2 2 46 46 GLU HA H 1 4.07 . . 1 . . . . 733 GLU HA . 16771 1 295 . 2 2 46 46 GLU HB2 H 1 2.01 . . 1 . . . . 733 GLU HB2 . 16771 1 296 . 2 2 46 46 GLU HB3 H 1 2.01 . . 1 . . . . 733 GLU HB3 . 16771 1 297 . 2 2 46 46 GLU HG2 H 1 2.32 . . 1 . . . . 733 GLU HG2 . 16771 1 298 . 2 2 46 46 GLU HG3 H 1 2.32 . . 1 . . . . 733 GLU HG3 . 16771 1 299 . 2 2 46 46 GLU C C 13 173.5 . . 1 . . . . 733 GLU C . 16771 1 300 . 2 2 46 46 GLU CA C 13 58.47 . . 1 . . . . 733 GLU CA . 16771 1 301 . 2 2 46 46 GLU CB C 13 29.3 . . 1 . . . . 733 GLU CB . 16771 1 302 . 2 2 46 46 GLU CG C 13 35.91 . . 1 . . . . 733 GLU CG . 16771 1 303 . 2 2 46 46 GLU N N 15 119 . . 1 . . . . 733 GLU N . 16771 1 304 . 2 2 47 47 ARG H H 1 8.04 . . 1 . . . . 734 ARG H . 16771 1 305 . 2 2 47 47 ARG HA H 1 3.91 . . 1 . . . . 734 ARG HA . 16771 1 306 . 2 2 47 47 ARG HB2 H 1 1.72 . . 2 . . . . 734 ARG HB2 . 16771 1 307 . 2 2 47 47 ARG HB3 H 1 1.59 . . 2 . . . . 734 ARG HB3 . 16771 1 308 . 2 2 47 47 ARG HD2 H 1 3.02 . . 2 . . . . 734 ARG HD2 . 16771 1 309 . 2 2 47 47 ARG HD3 H 1 2.97 . . 2 . . . . 734 ARG HD3 . 16771 1 310 . 2 2 47 47 ARG HE H 1 7.63 . . 1 . . . . 734 ARG HE . 16771 1 311 . 2 2 47 47 ARG HG2 H 1 1.48 . . 1 . . . . 734 ARG HG2 . 16771 1 312 . 2 2 47 47 ARG HG3 H 1 1.48 . . 1 . . . . 734 ARG HG3 . 16771 1 313 . 2 2 47 47 ARG HH11 H 1 6.9 . . 1 . . . . 734 ARG HH11 . 16771 1 314 . 2 2 47 47 ARG HH12 H 1 6.9 . . 1 . . . . 734 ARG HH12 . 16771 1 315 . 2 2 47 47 ARG HH21 H 1 6.9 . . 1 . . . . 734 ARG HH21 . 16771 1 316 . 2 2 47 47 ARG HH22 H 1 6.9 . . 1 . . . . 734 ARG HH22 . 16771 1 317 . 2 2 47 47 ARG C C 13 174.4 . . 1 . . . . 734 ARG C . 16771 1 318 . 2 2 47 47 ARG CA C 13 58.31 . . 1 . . . . 734 ARG CA . 16771 1 319 . 2 2 47 47 ARG CB C 13 30.23 . . 1 . . . . 734 ARG CB . 16771 1 320 . 2 2 47 47 ARG CD C 13 43.5 . . 1 . . . . 734 ARG CD . 16771 1 321 . 2 2 47 47 ARG CG C 13 27.28 . . 1 . . . . 734 ARG CG . 16771 1 322 . 2 2 47 47 ARG N N 15 119.4 . . 1 . . . . 734 ARG N . 16771 1 323 . 2 2 47 47 ARG NE N 15 84.3 . . 1 . . . . 734 ARG NE . 16771 1 324 . 2 2 47 47 ARG NH1 N 15 72.4 . . 1 . . . . 734 ARG NH1 . 16771 1 325 . 2 2 47 47 ARG NH2 N 15 72.4 . . 1 . . . . 734 ARG NH2 . 16771 1 326 . 2 2 48 48 ALA H H 1 7.78 . . 1 . . . . 735 ALA H . 16771 1 327 . 2 2 48 48 ALA HA H 1 4.13 . . 1 . . . . 735 ALA HA . 16771 1 328 . 2 2 48 48 ALA HB1 H 1 1.43 . . 1 . . . . 735 ALA MB . 16771 1 329 . 2 2 48 48 ALA HB2 H 1 1.43 . . 1 . . . . 735 ALA MB . 16771 1 330 . 2 2 48 48 ALA HB3 H 1 1.43 . . 1 . . . . 735 ALA MB . 16771 1 331 . 2 2 48 48 ALA C C 13 173.3 . . 1 . . . . 735 ALA C . 16771 1 332 . 2 2 48 48 ALA CA C 13 54.1 . . 1 . . . . 735 ALA CA . 16771 1 333 . 2 2 48 48 ALA CB C 13 18.9 . . 1 . . . . 735 ALA CB . 16771 1 334 . 2 2 48 48 ALA N N 15 121 . . 1 . . . . 735 ALA N . 16771 1 335 . 2 2 49 49 ARG H H 1 7.73 . . 1 . . . . 736 ARG H . 16771 1 336 . 2 2 49 49 ARG HA H 1 4.11 . . 1 . . . . 736 ARG HA . 16771 1 337 . 2 2 49 49 ARG HB2 H 1 1.84 . . 2 . . . . 736 ARG HB2 . 16771 1 338 . 2 2 49 49 ARG HB3 H 1 1.8 . . 2 . . . . 736 ARG HB3 . 16771 1 339 . 2 2 49 49 ARG HD2 H 1 3.16 . . 2 . . . . 736 ARG HD2 . 16771 1 340 . 2 2 49 49 ARG HD3 H 1 3.26 . . 2 . . . . 736 ARG HD3 . 16771 1 341 . 2 2 49 49 ARG HE H 1 7.44 . . 1 . . . . 736 ARG HE . 16771 1 342 . 2 2 49 49 ARG HG2 H 1 1.68 . . 2 . . . . 736 ARG HG2 . 16771 1 343 . 2 2 49 49 ARG HG3 H 1 1.61 . . 2 . . . . 736 ARG HG3 . 16771 1 344 . 2 2 49 49 ARG C C 13 175.3 . . 1 . . . . 736 ARG C . 16771 1 345 . 2 2 49 49 ARG CA C 13 57.27 . . 1 . . . . 736 ARG CA . 16771 1 346 . 2 2 49 49 ARG CB C 13 30.87 . . 1 . . . . 736 ARG CB . 16771 1 347 . 2 2 49 49 ARG CD C 13 43.65 . . 1 . . . . 736 ARG CD . 16771 1 348 . 2 2 49 49 ARG CG C 13 27.57 . . 1 . . . . 736 ARG CG . 16771 1 349 . 2 2 49 49 ARG N N 15 117 . . 1 . . . . 736 ARG N . 16771 1 350 . 2 2 49 49 ARG NE N 15 84.9 . . 1 . . . . 736 ARG NE . 16771 1 351 . 2 2 50 50 ALA H H 1 7.69 . . 1 . . . . 737 ALA H . 16771 1 352 . 2 2 50 50 ALA HA H 1 4.16 . . 1 . . . . 737 ALA HA . 16771 1 353 . 2 2 50 50 ALA HB1 H 1 1.24 . . 1 . . . . 737 ALA MB . 16771 1 354 . 2 2 50 50 ALA HB2 H 1 1.24 . . 1 . . . . 737 ALA MB . 16771 1 355 . 2 2 50 50 ALA HB3 H 1 1.24 . . 1 . . . . 737 ALA MB . 16771 1 356 . 2 2 50 50 ALA C C 13 174.5 . . 1 . . . . 737 ALA C . 16771 1 357 . 2 2 50 50 ALA CA C 13 53.1 . . 1 . . . . 737 ALA CA . 16771 1 358 . 2 2 50 50 ALA CB C 13 19.2 . . 1 . . . . 737 ALA CB . 16771 1 359 . 2 2 50 50 ALA N N 15 122.1 . . 1 . . . . 737 ALA N . 16771 1 360 . 2 2 51 51 LYS H H 1 7.86 . . 1 . . . . 738 LYS H . 16771 1 361 . 2 2 51 51 LYS HA H 1 4.21 . . 1 . . . . 738 LYS HA . 16771 1 362 . 2 2 51 51 LYS HB2 H 1 1.75 . . 2 . . . . 738 LYS HB2 . 16771 1 363 . 2 2 51 51 LYS HB3 H 1 1.71 . . 2 . . . . 738 LYS HB3 . 16771 1 364 . 2 2 51 51 LYS HD2 H 1 1.61 . . 1 . . . . 738 LYS HD2 . 16771 1 365 . 2 2 51 51 LYS HD3 H 1 1.61 . . 1 . . . . 738 LYS HD3 . 16771 1 366 . 2 2 51 51 LYS HE2 H 1 2.93 . . 1 . . . . 738 LYS HE2 . 16771 1 367 . 2 2 51 51 LYS HE3 H 1 2.93 . . 1 . . . . 738 LYS HE3 . 16771 1 368 . 2 2 51 51 LYS HG2 H 1 1.34 . . 2 . . . . 738 LYS HG2 . 16771 1 369 . 2 2 51 51 LYS HG3 H 1 1.28 . . 2 . . . . 738 LYS HG3 . 16771 1 370 . 2 2 51 51 LYS C C 13 175.5 . . 1 . . . . 738 LYS C . 16771 1 371 . 2 2 51 51 LYS CA C 13 56.4 . . 1 . . . . 738 LYS CA . 16771 1 372 . 2 2 51 51 LYS CB C 13 32.71 . . 1 . . . . 738 LYS CB . 16771 1 373 . 2 2 51 51 LYS CD C 13 29.16 . . 1 . . . . 738 LYS CD . 16771 1 374 . 2 2 51 51 LYS CE C 13 42.23 . . 1 . . . . 738 LYS CE . 16771 1 375 . 2 2 51 51 LYS CG C 13 24.83 . . 1 . . . . 738 LYS CG . 16771 1 376 . 2 2 51 51 LYS N N 15 118.1 . . 1 . . . . 738 LYS N . 16771 1 377 . 2 2 52 52 TRP H H 1 8.01 . . 1 . . . . 739 TRP H . 16771 1 378 . 2 2 52 52 TRP HA H 1 4.65 . . 1 . . . . 739 TRP HA . 16771 1 379 . 2 2 52 52 TRP HB2 H 1 3.24 . . 2 . . . . 739 TRP HB2 . 16771 1 380 . 2 2 52 52 TRP HB3 H 1 3.16 . . 2 . . . . 739 TRP HB3 . 16771 1 381 . 2 2 52 52 TRP HD1 H 1 7.2 . . 1 . . . . 739 TRP HD1 . 16771 1 382 . 2 2 52 52 TRP HE1 H 1 10.37 . . 1 . . . . 739 TRP HE1 . 16771 1 383 . 2 2 52 52 TRP HE3 H 1 7.48 . . 1 . . . . 739 TRP HE3 . 16771 1 384 . 2 2 52 52 TRP HH2 H 1 7.07 . . 1 . . . . 739 TRP HH2 . 16771 1 385 . 2 2 52 52 TRP HZ2 H 1 7.35 . . 1 . . . . 739 TRP HZ2 . 16771 1 386 . 2 2 52 52 TRP C C 13 176.2 . . 1 . . . . 739 TRP C . 16771 1 387 . 2 2 52 52 TRP CA C 13 57.2 . . 1 . . . . 739 TRP CA . 16771 1 388 . 2 2 52 52 TRP CB C 13 30 . . 1 . . . . 739 TRP CB . 16771 1 389 . 2 2 52 52 TRP CD1 C 13 127 . . 1 . . . . 739 TRP CD1 . 16771 1 390 . 2 2 52 52 TRP CE3 C 13 120.8 . . 1 . . . . 739 TRP CE3 . 16771 1 391 . 2 2 52 52 TRP CH2 C 13 124.4 . . 1 . . . . 739 TRP CH2 . 16771 1 392 . 2 2 52 52 TRP CZ2 C 13 114.5 . . 1 . . . . 739 TRP CZ2 . 16771 1 393 . 2 2 52 52 TRP N N 15 120.9 . . 1 . . . . 739 TRP N . 16771 1 394 . 2 2 52 52 TRP NE1 N 15 129.9 . . 1 . . . . 739 TRP NE1 . 16771 1 395 . 2 2 53 53 ASP H H 1 8.34 . . 1 . . . . 740 ASP H . 16771 1 396 . 2 2 53 53 ASP HA H 1 4.63 . . 1 . . . . 740 ASP HA . 16771 1 397 . 2 2 53 53 ASP HB2 H 1 2.69 . . 2 . . . . 740 ASP HB2 . 16771 1 398 . 2 2 53 53 ASP HB3 H 1 2.6 . . 2 . . . . 740 ASP HB3 . 16771 1 399 . 2 2 53 53 ASP C C 13 175.3 . . 1 . . . . 740 ASP C . 16771 1 400 . 2 2 53 53 ASP CA C 13 54.23 . . 1 . . . . 740 ASP CA . 16771 1 401 . 2 2 53 53 ASP CB C 13 41.28 . . 1 . . . . 740 ASP CB . 16771 1 402 . 2 2 53 53 ASP N N 15 121.5 . . 1 . . . . 740 ASP N . 16771 1 403 . 2 2 54 54 THR H H 1 7.99 . . 1 . . . . 741 THR H . 16771 1 404 . 2 2 54 54 THR HA H 1 4.04 . . 1 . . . . 741 THR HA . 16771 1 405 . 2 2 54 54 THR HB H 1 4.09 . . 1 . . . . 741 THR HB . 16771 1 406 . 2 2 54 54 THR HG21 H 1 1.07 . . 1 . . . . 741 THR MG . 16771 1 407 . 2 2 54 54 THR HG22 H 1 1.07 . . 1 . . . . 741 THR MG . 16771 1 408 . 2 2 54 54 THR HG23 H 1 1.07 . . 1 . . . . 741 THR MG . 16771 1 409 . 2 2 54 54 THR C C 13 176.9 . . 1 . . . . 741 THR C . 16771 1 410 . 2 2 54 54 THR CA C 13 63.3 . . 1 . . . . 741 THR CA . 16771 1 411 . 2 2 54 54 THR CB C 13 69.36 . . 1 . . . . 741 THR CB . 16771 1 412 . 2 2 54 54 THR CG2 C 13 22.26 . . 1 . . . . 741 THR CG2 . 16771 1 413 . 2 2 54 54 THR N N 15 113.92 . . 1 . . . . 741 THR N . 16771 1 414 . 2 2 55 55 ALA H H 1 8.11 . . 1 . . . . 742 ALA H . 16771 1 415 . 2 2 55 55 ALA HA H 1 4.11 . . 1 . . . . 742 ALA HA . 16771 1 416 . 2 2 55 55 ALA HB1 H 1 1.34 . . 1 . . . . 742 ALA MB . 16771 1 417 . 2 2 55 55 ALA HB2 H 1 1.34 . . 1 . . . . 742 ALA MB . 16771 1 418 . 2 2 55 55 ALA HB3 H 1 1.34 . . 1 . . . . 742 ALA MB . 16771 1 419 . 2 2 55 55 ALA C C 13 174.2 . . 1 . . . . 742 ALA C . 16771 1 420 . 2 2 55 55 ALA CA C 13 53.6 . . 1 . . . . 742 ALA CA . 16771 1 421 . 2 2 55 55 ALA CB C 13 19.2 . . 1 . . . . 742 ALA CB . 16771 1 422 . 2 2 55 55 ALA N N 15 123.3 . . 1 . . . . 742 ALA N . 16771 1 423 . 2 2 56 56 ASN H H 1 7.95 . . 1 . . . . 743 ASN H . 16771 1 424 . 2 2 56 56 ASN HA H 1 4.71 . . 1 . . . . 743 ASN HA . 16771 1 425 . 2 2 56 56 ASN HB2 H 1 2.8 . . 2 . . . . 743 ASN HB2 . 16771 1 426 . 2 2 56 56 ASN HB3 H 1 2.63 . . 2 . . . . 743 ASN HB3 . 16771 1 427 . 2 2 56 56 ASN HD21 H 1 7.76 . . 2 . . . . 743 ASN HD21 . 16771 1 428 . 2 2 56 56 ASN HD22 H 1 6.82 . . 2 . . . . 743 ASN HD22 . 16771 1 429 . 2 2 56 56 ASN C C 13 177.5 . . 1 . . . . 743 ASN C . 16771 1 430 . 2 2 56 56 ASN CA C 13 53.05 . . 1 . . . . 743 ASN CA . 16771 1 431 . 2 2 56 56 ASN CB C 13 39.34 . . 1 . . . . 743 ASN CB . 16771 1 432 . 2 2 56 56 ASN N N 15 114.8 . . 1 . . . . 743 ASN N . 16771 1 433 . 2 2 56 56 ASN ND2 N 15 114 . . 1 . . . . 743 ASN ND2 . 16771 1 434 . 2 2 57 57 ASN H H 1 7.89 . . 1 . . . . 744 ASN H . 16771 1 435 . 2 2 57 57 ASN HA H 1 4.88 . . 1 . . . . 744 ASN HA . 16771 1 436 . 2 2 57 57 ASN HB2 H 1 2.85 . . 2 . . . . 744 ASN HB2 . 16771 1 437 . 2 2 57 57 ASN HB3 H 1 2.76 . . 2 . . . . 744 ASN HB3 . 16771 1 438 . 2 2 57 57 ASN HD21 H 1 7.91 . . 2 . . . . 744 ASN HD21 . 16771 1 439 . 2 2 57 57 ASN HD22 H 1 6.44 . . 2 . . . . 744 ASN HD22 . 16771 1 440 . 2 2 57 57 ASN CA C 13 51.94 . . 1 . . . . 744 ASN CA . 16771 1 441 . 2 2 57 57 ASN CB C 13 39.72 . . 1 . . . . 744 ASN CB . 16771 1 442 . 2 2 57 57 ASN N N 15 120 . . 1 . . . . 744 ASN N . 16771 1 443 . 2 2 57 57 ASN ND2 N 15 112.7 . . 1 . . . . 744 ASN ND2 . 16771 1 444 . 2 2 58 58 PRO HA H 1 4.36 . . 1 . . . . 745 PRO HA . 16771 1 445 . 2 2 58 58 PRO HB2 H 1 2.37 . . 2 . . . . 745 PRO HB2 . 16771 1 446 . 2 2 58 58 PRO HB3 H 1 1.9 . . 2 . . . . 745 PRO HB3 . 16771 1 447 . 2 2 58 58 PRO HD2 H 1 3.83 . . 2 . . . . 745 PRO HD2 . 16771 1 448 . 2 2 58 58 PRO HD3 H 1 3.67 . . 2 . . . . 745 PRO HD3 . 16771 1 449 . 2 2 58 58 PRO HG2 H 1 2.03 . . 2 . . . . 745 PRO HG2 . 16771 1 450 . 2 2 58 58 PRO HG3 H 1 1.94 . . 2 . . . . 745 PRO HG3 . 16771 1 451 . 2 2 58 58 PRO C C 13 174 . . 1 . . . . 745 PRO C . 16771 1 452 . 2 2 58 58 PRO CA C 13 64.82 . . 1 . . . . 745 PRO CA . 16771 1 453 . 2 2 58 58 PRO CB C 13 32.48 . . 1 . . . . 745 PRO CB . 16771 1 454 . 2 2 58 58 PRO CD C 13 51.1 . . 1 . . . . 745 PRO CD . 16771 1 455 . 2 2 58 58 PRO CG C 13 27.64 . . 1 . . . . 745 PRO CG . 16771 1 456 . 2 2 59 59 LEU H H 1 8.15 . . 1 . . . . 746 LEU H . 16771 1 457 . 2 2 59 59 LEU HA H 1 4.15 . . 1 . . . . 746 LEU HA . 16771 1 458 . 2 2 59 59 LEU HB2 H 1 1.68 . . 2 . . . . 746 LEU HB2 . 16771 1 459 . 2 2 59 59 LEU HB3 H 1 1.51 . . 2 . . . . 746 LEU HB3 . 16771 1 460 . 2 2 59 59 LEU HD11 H 1 0.93 . . 1 . . . . 746 LEU MD1 . 16771 1 461 . 2 2 59 59 LEU HD12 H 1 0.93 . . 1 . . . . 746 LEU MD1 . 16771 1 462 . 2 2 59 59 LEU HD13 H 1 0.93 . . 1 . . . . 746 LEU MD1 . 16771 1 463 . 2 2 59 59 LEU HD21 H 1 0.86 . . 1 . . . . 746 LEU MD2 . 16771 1 464 . 2 2 59 59 LEU HD22 H 1 0.86 . . 1 . . . . 746 LEU MD2 . 16771 1 465 . 2 2 59 59 LEU HD23 H 1 0.86 . . 1 . . . . 746 LEU MD2 . 16771 1 466 . 2 2 59 59 LEU HG H 1 1.64 . . 1 . . . . 746 LEU HG . 16771 1 467 . 2 2 59 59 LEU C C 13 173.9 . . 1 . . . . 746 LEU C . 16771 1 468 . 2 2 59 59 LEU CA C 13 57.43 . . 1 . . . . 746 LEU CA . 16771 1 469 . 2 2 59 59 LEU CB C 13 42.01 . . 1 . . . . 746 LEU CB . 16771 1 470 . 2 2 59 59 LEU CD1 C 13 25.16 . . 1 . . . . 746 LEU CD1 . 16771 1 471 . 2 2 59 59 LEU CD2 C 13 24.44 . . 1 . . . . 746 LEU CD2 . 16771 1 472 . 2 2 59 59 LEU CG C 13 27.56 . . 1 . . . . 746 LEU CG . 16771 1 473 . 2 2 59 59 LEU N N 15 119 . . 1 . . . . 746 LEU N . 16771 1 474 . 2 2 60 60 TYR H H 1 7.75 . . 1 . . . . 747 TYR H . 16771 1 475 . 2 2 60 60 TYR HA H 1 4.23 . . 1 . . . . 747 TYR HA . 16771 1 476 . 2 2 60 60 TYR HB2 H 1 3.17 . . 2 . . . . 747 TYR HB2 . 16771 1 477 . 2 2 60 60 TYR HB3 H 1 2.97 . . 2 . . . . 747 TYR HB3 . 16771 1 478 . 2 2 60 60 TYR HD1 H 1 6.96 . . 1 . . . . 747 TYR HD1 . 16771 1 479 . 2 2 60 60 TYR HD2 H 1 6.96 . . 1 . . . . 747 TYR HD2 . 16771 1 480 . 2 2 60 60 TYR HE1 H 1 6.74 . . 1 . . . . 747 TYR HE1 . 16771 1 481 . 2 2 60 60 TYR HE2 H 1 6.74 . . 1 . . . . 747 TYR HE2 . 16771 1 482 . 2 2 60 60 TYR C C 13 174.5 . . 1 . . . . 747 TYR C . 16771 1 483 . 2 2 60 60 TYR CA C 13 60.27 . . 1 . . . . 747 TYR CA . 16771 1 484 . 2 2 60 60 TYR CB C 13 38.59 . . 1 . . . . 747 TYR CB . 16771 1 485 . 2 2 60 60 TYR CD1 C 13 132.77 . . 1 . . . . 747 TYR CD1 . 16771 1 486 . 2 2 60 60 TYR CD2 C 13 132.77 . . 1 . . . . 747 TYR CD2 . 16771 1 487 . 2 2 60 60 TYR CE1 C 13 118.49 . . 1 . . . . 747 TYR CE1 . 16771 1 488 . 2 2 60 60 TYR CE2 C 13 118.49 . . 1 . . . . 747 TYR CE2 . 16771 1 489 . 2 2 60 60 TYR N N 15 118.34 . . 1 . . . . 747 TYR N . 16771 1 490 . 2 2 61 61 LYS H H 1 7.95 . . 1 . . . . 748 LYS H . 16771 1 491 . 2 2 61 61 LYS HA H 1 4.04 . . 1 . . . . 748 LYS HA . 16771 1 492 . 2 2 61 61 LYS HB2 H 1 1.86 . . 1 . . . . 748 LYS HB2 . 16771 1 493 . 2 2 61 61 LYS HB3 H 1 1.86 . . 1 . . . . 748 LYS HB3 . 16771 1 494 . 2 2 61 61 LYS HD2 H 1 1.68 . . 1 . . . . 748 LYS HD2 . 16771 1 495 . 2 2 61 61 LYS HD3 H 1 1.68 . . 1 . . . . 748 LYS HD3 . 16771 1 496 . 2 2 61 61 LYS HE2 H 1 2.98 . . 1 . . . . 748 LYS HE2 . 16771 1 497 . 2 2 61 61 LYS HE3 H 1 2.98 . . 1 . . . . 748 LYS HE3 . 16771 1 498 . 2 2 61 61 LYS HG2 H 1 1.49 . . 2 . . . . 748 LYS HG2 . 16771 1 499 . 2 2 61 61 LYS HG3 H 1 1.42 . . 2 . . . . 748 LYS HG3 . 16771 1 500 . 2 2 61 61 LYS C C 13 173.6 . . 1 . . . . 748 LYS C . 16771 1 501 . 2 2 61 61 LYS CA C 13 58.73 . . 1 . . . . 748 LYS CA . 16771 1 502 . 2 2 61 61 LYS CB C 13 32.59 . . 1 . . . . 748 LYS CB . 16771 1 503 . 2 2 61 61 LYS CD C 13 29.41 . . 1 . . . . 748 LYS CD . 16771 1 504 . 2 2 61 61 LYS CE C 13 42.3 . . 1 . . . . 748 LYS CE . 16771 1 505 . 2 2 61 61 LYS CG C 13 25.11 . . 1 . . . . 748 LYS CG . 16771 1 506 . 2 2 61 61 LYS N N 15 120.3 . . 1 . . . . 748 LYS N . 16771 1 507 . 2 2 62 62 GLU H H 1 8.12 . . 1 . . . . 749 GLU H . 16771 1 508 . 2 2 62 62 GLU HA H 1 4.18 . . 1 . . . . 749 GLU HA . 16771 1 509 . 2 2 62 62 GLU HB2 H 1 2.08 . . 1 . . . . 749 GLU HB2 . 16771 1 510 . 2 2 62 62 GLU HB3 H 1 2.08 . . 1 . . . . 749 GLU HB3 . 16771 1 511 . 2 2 62 62 GLU HG2 H 1 2.34 . . 1 . . . . 749 GLU HG2 . 16771 1 512 . 2 2 62 62 GLU HG3 H 1 2.34 . . 1 . . . . 749 GLU HG3 . 16771 1 513 . 2 2 62 62 GLU C C 13 173.6 . . 1 . . . . 749 GLU C . 16771 1 514 . 2 2 62 62 GLU CA C 13 58.18 . . 1 . . . . 749 GLU CA . 16771 1 515 . 2 2 62 62 GLU CB C 13 29.32 . . 1 . . . . 749 GLU CB . 16771 1 516 . 2 2 62 62 GLU CG C 13 35.24 . . 1 . . . . 749 GLU CG . 16771 1 517 . 2 2 62 62 GLU N N 15 119.6 . . 1 . . . . 749 GLU N . 16771 1 518 . 2 2 63 63 ALA H H 1 8.37 . . 1 . . . . 750 ALA H . 16771 1 519 . 2 2 63 63 ALA HA H 1 4.11 . . 1 . . . . 750 ALA HA . 16771 1 520 . 2 2 63 63 ALA HB1 H 1 1.44 . . 1 . . . . 750 ALA MB . 16771 1 521 . 2 2 63 63 ALA HB2 H 1 1.44 . . 1 . . . . 750 ALA MB . 16771 1 522 . 2 2 63 63 ALA HB3 H 1 1.44 . . 1 . . . . 750 ALA MB . 16771 1 523 . 2 2 63 63 ALA C C 13 173.3 . . 1 . . . . 750 ALA C . 16771 1 524 . 2 2 63 63 ALA CA C 13 54.9 . . 1 . . . . 750 ALA CA . 16771 1 525 . 2 2 63 63 ALA CB C 13 19 . . 1 . . . . 750 ALA CB . 16771 1 526 . 2 2 63 63 ALA N N 15 122.9 . . 1 . . . . 750 ALA N . 16771 1 527 . 2 2 64 64 THR H H 1 8.04 . . 1 . . . . 751 THR H . 16771 1 528 . 2 2 64 64 THR HA H 1 4.02 . . 1 . . . . 751 THR HA . 16771 1 529 . 2 2 64 64 THR HB H 1 4.21 . . 1 . . . . 751 THR HB . 16771 1 530 . 2 2 64 64 THR HG21 H 1 1.09 . . 1 . . . . 751 THR MG . 16771 1 531 . 2 2 64 64 THR HG22 H 1 1.09 . . 1 . . . . 751 THR MG . 16771 1 532 . 2 2 64 64 THR HG23 H 1 1.09 . . 1 . . . . 751 THR MG . 16771 1 533 . 2 2 64 64 THR C C 13 175.4 . . 1 . . . . 751 THR C . 16771 1 534 . 2 2 64 64 THR CA C 13 64.85 . . 1 . . . . 751 THR CA . 16771 1 535 . 2 2 64 64 THR CB C 13 69.07 . . 1 . . . . 751 THR CB . 16771 1 536 . 2 2 64 64 THR CG2 C 13 22.18 . . 1 . . . . 751 THR CG2 . 16771 1 537 . 2 2 64 64 THR N N 15 109.72 . . 1 . . . . 751 THR N . 16771 1 538 . 2 2 65 65 SER H H 1 8 . . 1 . . . . 752 SER H . 16771 1 539 . 2 2 65 65 SER HA H 1 4.35 . . 1 . . . . 752 SER HA . 16771 1 540 . 2 2 65 65 SER HB2 H 1 3.95 . . 2 . . . . 752 SER HB2 . 16771 1 541 . 2 2 65 65 SER HB3 H 1 3.93 . . 2 . . . . 752 SER HB3 . 16771 1 542 . 2 2 65 65 SER C C 13 176.2 . . 1 . . . . 752 SER C . 16771 1 543 . 2 2 65 65 SER CA C 13 60.67 . . 1 . . . . 752 SER CA . 16771 1 544 . 2 2 65 65 SER CB C 13 63.43 . . 1 . . . . 752 SER CB . 16771 1 545 . 2 2 65 65 SER N N 15 117.55 . . 1 . . . . 752 SER N . 16771 1 546 . 2 2 66 66 THR H H 1 7.89 . . 1 . . . . 753 THR H . 16771 1 547 . 2 2 66 66 THR HA H 1 4.06 . . 1 . . . . 753 THR HA . 16771 1 548 . 2 2 66 66 THR HB H 1 4.06 . . 1 . . . . 753 THR HB . 16771 1 549 . 2 2 66 66 THR HG21 H 1 1.03 . . 1 . . . . 753 THR MG . 16771 1 550 . 2 2 66 66 THR HG22 H 1 1.03 . . 1 . . . . 753 THR MG . 16771 1 551 . 2 2 66 66 THR HG23 H 1 1.03 . . 1 . . . . 753 THR MG . 16771 1 552 . 2 2 66 66 THR C C 13 176.8 . . 1 . . . . 753 THR C . 16771 1 553 . 2 2 66 66 THR CA C 13 65.49 . . 1 . . . . 753 THR CA . 16771 1 554 . 2 2 66 66 THR CB C 13 69.17 . . 1 . . . . 753 THR CB . 16771 1 555 . 2 2 66 66 THR CG2 C 13 21.74 . . 1 . . . . 753 THR CG2 . 16771 1 556 . 2 2 66 66 THR N N 15 117.1 . . 1 . . . . 753 THR N . 16771 1 557 . 2 2 67 67 PHE H H 1 8.06 . . 1 . . . . 754 PHE H . 16771 1 558 . 2 2 67 67 PHE HA H 1 4.44 . . 1 . . . . 754 PHE HA . 16771 1 559 . 2 2 67 67 PHE HB2 H 1 3.23 . . 2 . . . . 754 PHE HB2 . 16771 1 560 . 2 2 67 67 PHE HB3 H 1 3.05 . . 2 . . . . 754 PHE HB3 . 16771 1 561 . 2 2 67 67 PHE HD1 H 1 7.19 . . 1 . . . . 754 PHE HD1 . 16771 1 562 . 2 2 67 67 PHE HD2 H 1 7.19 . . 1 . . . . 754 PHE HD2 . 16771 1 563 . 2 2 67 67 PHE C C 13 175.5 . . 1 . . . . 754 PHE C . 16771 1 564 . 2 2 67 67 PHE CA C 13 59.71 . . 1 . . . . 754 PHE CA . 16771 1 565 . 2 2 67 67 PHE CB C 13 39.45 . . 1 . . . . 754 PHE CB . 16771 1 566 . 2 2 67 67 PHE CD1 C 13 131.6 . . 1 . . . . 754 PHE CD1 . 16771 1 567 . 2 2 67 67 PHE CD2 C 13 131.6 . . 1 . . . . 754 PHE CD2 . 16771 1 568 . 2 2 67 67 PHE N N 15 119.5 . . 1 . . . . 754 PHE N . 16771 1 569 . 2 2 68 68 THR H H 1 7.91 . . 1 . . . . 755 THR H . 16771 1 570 . 2 2 68 68 THR HA H 1 4.1 . . 1 . . . . 755 THR HA . 16771 1 571 . 2 2 68 68 THR HB H 1 4.25 . . 1 . . . . 755 THR HB . 16771 1 572 . 2 2 68 68 THR HG21 H 1 1.23 . . 1 . . . . 755 THR MG . 16771 1 573 . 2 2 68 68 THR HG22 H 1 1.23 . . 1 . . . . 755 THR MG . 16771 1 574 . 2 2 68 68 THR HG23 H 1 1.23 . . 1 . . . . 755 THR MG . 16771 1 575 . 2 2 68 68 THR C C 13 177.2 . . 1 . . . . 755 THR C . 16771 1 576 . 2 2 68 68 THR CA C 13 64.27 . . 1 . . . . 755 THR CA . 16771 1 577 . 2 2 68 68 THR CB C 13 69.41 . . 1 . . . . 755 THR CB . 16771 1 578 . 2 2 68 68 THR CG2 C 13 21.99 . . 1 . . . . 755 THR CG2 . 16771 1 579 . 2 2 68 68 THR N N 15 112.7 . . 1 . . . . 755 THR N . 16771 1 580 . 2 2 69 69 ASN H H 1 8.1 . . 1 . . . . 756 ASN H . 16771 1 581 . 2 2 69 69 ASN HA H 1 4.68 . . 1 . . . . 756 ASN HA . 16771 1 582 . 2 2 69 69 ASN HB2 H 1 2.87 . . 2 . . . . 756 ASN HB2 . 16771 1 583 . 2 2 69 69 ASN HB3 H 1 2.82 . . 2 . . . . 756 ASN HB3 . 16771 1 584 . 2 2 69 69 ASN HD21 H 1 7.61 . . 2 . . . . 756 ASN HD21 . 16771 1 585 . 2 2 69 69 ASN HD22 H 1 6.82 . . 2 . . . . 756 ASN HD22 . 16771 1 586 . 2 2 69 69 ASN C C 13 176.3 . . 1 . . . . 756 ASN C . 16771 1 587 . 2 2 69 69 ASN CA C 13 54.33 . . 1 . . . . 756 ASN CA . 16771 1 588 . 2 2 69 69 ASN CB C 13 39.08 . . 1 . . . . 756 ASN CB . 16771 1 589 . 2 2 69 69 ASN N N 15 119.3 . . 1 . . . . 756 ASN N . 16771 1 590 . 2 2 69 69 ASN ND2 N 15 112.6 . . 1 . . . . 756 ASN ND2 . 16771 1 591 . 2 2 70 70 ILE H H 1 7.77 . . 1 . . . . 757 ILE H . 16771 1 592 . 2 2 70 70 ILE HA H 1 4.11 . . 1 . . . . 757 ILE HA . 16771 1 593 . 2 2 70 70 ILE HB H 1 1.9 . . 1 . . . . 757 ILE HB . 16771 1 594 . 2 2 70 70 ILE HD11 H 1 0.84 . . 1 . . . . 757 ILE MD . 16771 1 595 . 2 2 70 70 ILE HD12 H 1 0.84 . . 1 . . . . 757 ILE MD . 16771 1 596 . 2 2 70 70 ILE HD13 H 1 0.84 . . 1 . . . . 757 ILE MD . 16771 1 597 . 2 2 70 70 ILE HG12 H 1 1.57 . . 2 . . . . 757 ILE HG12 . 16771 1 598 . 2 2 70 70 ILE HG13 H 1 1.21 . . 2 . . . . 757 ILE HG13 . 16771 1 599 . 2 2 70 70 ILE HG21 H 1 0.87 . . 1 . . . . 757 ILE MG . 16771 1 600 . 2 2 70 70 ILE HG22 H 1 0.87 . . 1 . . . . 757 ILE MG . 16771 1 601 . 2 2 70 70 ILE HG23 H 1 0.87 . . 1 . . . . 757 ILE MG . 16771 1 602 . 2 2 70 70 ILE C C 13 176.2 . . 1 . . . . 757 ILE C . 16771 1 603 . 2 2 70 70 ILE CA C 13 62.39 . . 1 . . . . 757 ILE CA . 16771 1 604 . 2 2 70 70 ILE CB C 13 38.78 . . 1 . . . . 757 ILE CB . 16771 1 605 . 2 2 70 70 ILE CD1 C 13 13.88 . . 1 . . . . 757 ILE CD1 . 16771 1 606 . 2 2 70 70 ILE CG1 C 13 28 . . 1 . . . . 757 ILE CG1 . 16771 1 607 . 2 2 70 70 ILE CG2 C 13 17.94 . . 1 . . . . 757 ILE CG2 . 16771 1 608 . 2 2 70 70 ILE N N 15 118.9 . . 1 . . . . 757 ILE N . 16771 1 609 . 2 2 71 71 THR H H 1 7.86 . . 1 . . . . 758 THR H . 16771 1 610 . 2 2 71 71 THR HA H 1 4.26 . . 1 . . . . 758 THR HA . 16771 1 611 . 2 2 71 71 THR HB H 1 4.09 . . 1 . . . . 758 THR HB . 16771 1 612 . 2 2 71 71 THR HG21 H 1 1.03 . . 1 . . . . 758 THR MG . 16771 1 613 . 2 2 71 71 THR HG22 H 1 1.03 . . 1 . . . . 758 THR MG . 16771 1 614 . 2 2 71 71 THR HG23 H 1 1.03 . . 1 . . . . 758 THR MG . 16771 1 615 . 2 2 71 71 THR C C 13 177.9 . . 1 . . . . 758 THR C . 16771 1 616 . 2 2 71 71 THR CA C 13 62.21 . . 1 . . . . 758 THR CA . 16771 1 617 . 2 2 71 71 THR CB C 13 69.89 . . 1 . . . . 758 THR CB . 16771 1 618 . 2 2 71 71 THR CG2 C 13 21.74 . . 1 . . . . 758 THR CG2 . 16771 1 619 . 2 2 71 71 THR N N 15 114.76 . . 1 . . . . 758 THR N . 16771 1 620 . 2 2 72 72 TYR H H 1 7.98 . . 1 . . . . 759 TYR H . 16771 1 621 . 2 2 72 72 TYR HA H 1 4.52 . . 1 . . . . 759 TYR HA . 16771 1 622 . 2 2 72 72 TYR HB2 H 1 2.99 . . 1 . . . . 759 TYR HB2 . 16771 1 623 . 2 2 72 72 TYR HB3 H 1 2.99 . . 1 . . . . 759 TYR HB3 . 16771 1 624 . 2 2 72 72 TYR HD1 H 1 7.08 . . 1 . . . . 759 TYR HD1 . 16771 1 625 . 2 2 72 72 TYR HD2 H 1 7.08 . . 1 . . . . 759 TYR HD2 . 16771 1 626 . 2 2 72 72 TYR HE1 H 1 6.78 . . 1 . . . . 759 TYR HE1 . 16771 1 627 . 2 2 72 72 TYR HE2 H 1 6.78 . . 1 . . . . 759 TYR HE2 . 16771 1 628 . 2 2 72 72 TYR C C 13 176.5 . . 1 . . . . 759 TYR C . 16771 1 629 . 2 2 72 72 TYR CA C 13 58.48 . . 1 . . . . 759 TYR CA . 16771 1 630 . 2 2 72 72 TYR CB C 13 39.05 . . 1 . . . . 759 TYR CB . 16771 1 631 . 2 2 72 72 TYR CD1 C 13 133.26 . . 1 . . . . 759 TYR CD1 . 16771 1 632 . 2 2 72 72 TYR CD2 C 13 133.26 . . 1 . . . . 759 TYR CD2 . 16771 1 633 . 2 2 72 72 TYR CE1 C 13 118.4 . . 1 . . . . 759 TYR CE1 . 16771 1 634 . 2 2 72 72 TYR CE2 C 13 118.4 . . 1 . . . . 759 TYR CE2 . 16771 1 635 . 2 2 72 72 TYR N N 15 122.17 . . 1 . . . . 759 TYR N . 16771 1 636 . 2 2 73 73 ARG H H 1 8.07 . . 1 . . . . 760 ARG H . 16771 1 637 . 2 2 73 73 ARG HA H 1 4.29 . . 1 . . . . 760 ARG HA . 16771 1 638 . 2 2 73 73 ARG HB2 H 1 1.85 . . 2 . . . . 760 ARG HB2 . 16771 1 639 . 2 2 73 73 ARG HB3 H 1 1.71 . . 2 . . . . 760 ARG HB3 . 16771 1 640 . 2 2 73 73 ARG HD2 H 1 3.15 . . 1 . . . . 760 ARG HD2 . 16771 1 641 . 2 2 73 73 ARG HD3 H 1 3.15 . . 1 . . . . 760 ARG HD3 . 16771 1 642 . 2 2 73 73 ARG HE H 1 7.28 . . 1 . . . . 760 ARG HE . 16771 1 643 . 2 2 73 73 ARG HG2 H 1 1.57 . . 1 . . . . 760 ARG HG2 . 16771 1 644 . 2 2 73 73 ARG HG3 H 1 1.57 . . 1 . . . . 760 ARG HG3 . 16771 1 645 . 2 2 73 73 ARG HH11 H 1 6.82 . . 1 . . . . 760 ARG HH11 . 16771 1 646 . 2 2 73 73 ARG HH12 H 1 6.82 . . 1 . . . . 760 ARG HH12 . 16771 1 647 . 2 2 73 73 ARG HH21 H 1 6.82 . . 1 . . . . 760 ARG HH21 . 16771 1 648 . 2 2 73 73 ARG HH22 H 1 6.82 . . 1 . . . . 760 ARG HH22 . 16771 1 649 . 2 2 73 73 ARG C C 13 175.8 . . 1 . . . . 760 ARG C . 16771 1 650 . 2 2 73 73 ARG CA C 13 56.15 . . 1 . . . . 760 ARG CA . 16771 1 651 . 2 2 73 73 ARG CB C 13 31.18 . . 1 . . . . 760 ARG CB . 16771 1 652 . 2 2 73 73 ARG CD C 13 43.57 . . 1 . . . . 760 ARG CD . 16771 1 653 . 2 2 73 73 ARG CG C 13 27.25 . . 1 . . . . 760 ARG CG . 16771 1 654 . 2 2 73 73 ARG N N 15 122.6 . . 1 . . . . 760 ARG N . 16771 1 655 . 2 2 73 73 ARG NE N 15 85 . . 1 . . . . 760 ARG NE . 16771 1 656 . 2 2 73 73 ARG NH1 N 15 72.1 . . 1 . . . . 760 ARG NH1 . 16771 1 657 . 2 2 73 73 ARG NH2 N 15 72.1 . . 1 . . . . 760 ARG NH2 . 16771 1 658 . 2 2 74 74 GLY H H 1 7.77 . . 1 . . . . 761 GLY H . 16771 1 659 . 2 2 74 74 GLY HA2 H 1 3.91 . . 1 . . . . 761 GLY HA2 . 16771 1 660 . 2 2 74 74 GLY HA3 H 1 3.91 . . 1 . . . . 761 GLY HA3 . 16771 1 661 . 2 2 74 74 GLY C C 13 178.7 . . 1 . . . . 761 GLY C . 16771 1 662 . 2 2 74 74 GLY CA C 13 45.54 . . 1 . . . . 761 GLY CA . 16771 1 663 . 2 2 74 74 GLY N N 15 109 . . 1 . . . . 761 GLY N . 16771 1 664 . 2 2 75 75 THR H H 1 7.56 . . 1 . . . . 762 THR H . 16771 1 665 . 2 2 75 75 THR HA H 1 4.14 . . 1 . . . . 762 THR HA . 16771 1 666 . 2 2 75 75 THR HB H 1 4.23 . . 1 . . . . 762 THR HB . 16771 1 667 . 2 2 75 75 THR HG21 H 1 1.14 . . 1 . . . . 762 THR MG . 16771 1 668 . 2 2 75 75 THR HG22 H 1 1.14 . . 1 . . . . 762 THR MG . 16771 1 669 . 2 2 75 75 THR HG23 H 1 1.14 . . 1 . . . . 762 THR MG . 16771 1 670 . 2 2 75 75 THR CA C 13 63.21 . . 1 . . . . 762 THR CA . 16771 1 671 . 2 2 75 75 THR CB C 13 70.85 . . 1 . . . . 762 THR CB . 16771 1 672 . 2 2 75 75 THR CG2 C 13 22.33 . . 1 . . . . 762 THR CG2 . 16771 1 stop_ save_