data_5185 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5185 _Entry.Title ; 1H, 13C, and 15N resonance assignment of the vascular endothelial growth factor receptor-binding domain in complex with a receptor-blocking peptide ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-10-19 _Entry.Accession_date 2001-10-22 _Entry.Last_release_date 2002-05-07 _Entry.Original_release_date 2002-05-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Borlan Pan . . . 5185 2 Wayne Fairbrother . J. . 5185 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5185 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 693 5185 '13C chemical shifts' 444 5185 '15N chemical shifts' 97 5185 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 . . 2002-05-07 2001-10-19 original author . 5185 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5186 'Assignments for vascular endothelial growth factor in free form' 5185 BMRB 5198 'Assignments for v107 in complex with vascular endothelial growth factor' 5185 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5185 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21880667 _Citation.DOI . _Citation.PubMed_ID 11883783 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C, and 15N Resonance Assignment of the Vascular Endothelial Growth Factor Receptor-binding Domain in Complex with a Receptor-blocking Peptide ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 189 _Citation.Page_last 190 _Citation.Year 2002 _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 Borlan Pan . . . 5185 1 2 Wayne Fairbrother . J. . 5185 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'vascular endothelial growth factor' 5185 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_VEGF _Assembly.Sf_category assembly _Assembly.Sf_framecode system_VEGF _Assembly.Entry_ID 5185 _Assembly.ID 1 _Assembly.Name 'vascular endothelial growth factor receptor-binding domain dimer in complex with peptide v107' _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 disulfide bound' _Assembly.Molecular_mass 27936.78 _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 5185 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 'VEGF subunit 1' 1 $VEGF . . . native . . 1 . . 5185 1 2 'VEGF subunit 2' 1 $VEGF . . . native . . 1 . . 5185 1 3 'v107 subunit 1' 2 $v107 . . . native . . 2 . . 5185 1 4 'v107 subunit 2' 2 $v107 . . . native . . 2 . . 5185 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 . . CYS 16 16 SG . 1 . 1 CYS 58 58 SG . . . . . . . . . . 5185 1 2 disulfide single . 1 . . CYS 47 47 SG . 1 . 1 CYS 92 92 SG . . . . . . . . . . 5185 1 3 disulfide single . 1 . . CYS 51 51 SG . 1 . 1 CYS 94 94 SG . . . . . . . . . . 5185 1 4 disulfide single . 1 . . CYS 41 41 SG . 2 . 1 CYS 50 50 SG . . . . . . . . . . 5185 1 5 disulfide single . 2 . . CYS 16 16 SG . 2 . 1 CYS 58 58 SG . . . . . . . . . . 5185 1 6 disulfide single . 2 . . CYS 47 47 SG . 2 . 1 CYS 92 92 SG . . . . . . . . . . 5185 1 7 disulfide single . 2 . . CYS 51 51 SG . 2 . 1 CYS 94 94 SG . . . . . . . . . . 5185 1 8 disulfide single . 2 . . CYS 41 41 SG . 1 . 1 CYS 50 50 SG . . . . . . . . . . 5185 1 9 disulfide single . 3 . . CYS 5 5 SG . 3 . 2 CYS 15 15 SG . . . . . . . . . . 5185 1 10 disulfide single . 4 . . CYS 5 5 SG . 4 . 2 CYS 15 15 SG . . . . . . . . . . 5185 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'vascular endothelial growth factor receptor-binding domain dimer in complex with peptide v107' system 5185 1 VEGF abbreviation 5185 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VEGF _Entity.Sf_category entity _Entity.Sf_framecode VEGF _Entity.Entry_ID 5185 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'vascular endothelial growth factor' _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 ; HHEVVKFMDVYQRSYCHPIE TLVDIFQEYPDEIEYIFKPS CVPLMRCGGCCNDEGLECVP TEESNITMQIMRIKPHQGQH IGEMSFLQHNKCECRPKKD ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 11625.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1KAT . "Solution Structure Of A Phage-Derived Peptide Antagonist In Complex With Vascular Endothelial Growth Factor" . . . . . 100.00 19 100.00 100.00 3.53e-04 . . . . 5185 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'vascular endothelial growth factor' common 5185 1 VEGF(11-109) variant 5185 1 VEGF abbreviation 5185 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 11 HIS . 5185 1 2 12 HIS . 5185 1 3 13 GLU . 5185 1 4 14 VAL . 5185 1 5 15 VAL . 5185 1 6 16 LYS . 5185 1 7 17 PHE . 5185 1 8 18 MET . 5185 1 9 19 ASP . 5185 1 10 20 VAL . 5185 1 11 21 TYR . 5185 1 12 22 GLN . 5185 1 13 23 ARG . 5185 1 14 24 SER . 5185 1 15 25 TYR . 5185 1 16 26 CYS . 5185 1 17 27 HIS . 5185 1 18 28 PRO . 5185 1 19 29 ILE . 5185 1 20 30 GLU . 5185 1 21 31 THR . 5185 1 22 32 LEU . 5185 1 23 33 VAL . 5185 1 24 34 ASP . 5185 1 25 35 ILE . 5185 1 26 36 PHE . 5185 1 27 37 GLN . 5185 1 28 38 GLU . 5185 1 29 39 TYR . 5185 1 30 40 PRO . 5185 1 31 41 ASP . 5185 1 32 42 GLU . 5185 1 33 43 ILE . 5185 1 34 44 GLU . 5185 1 35 45 TYR . 5185 1 36 46 ILE . 5185 1 37 47 PHE . 5185 1 38 48 LYS . 5185 1 39 49 PRO . 5185 1 40 50 SER . 5185 1 41 51 CYS . 5185 1 42 52 VAL . 5185 1 43 53 PRO . 5185 1 44 54 LEU . 5185 1 45 55 MET . 5185 1 46 56 ARG . 5185 1 47 57 CYS . 5185 1 48 58 GLY . 5185 1 49 59 GLY . 5185 1 50 60 CYS . 5185 1 51 61 CYS . 5185 1 52 62 ASN . 5185 1 53 63 ASP . 5185 1 54 64 GLU . 5185 1 55 65 GLY . 5185 1 56 66 LEU . 5185 1 57 67 GLU . 5185 1 58 68 CYS . 5185 1 59 69 VAL . 5185 1 60 70 PRO . 5185 1 61 71 THR . 5185 1 62 72 GLU . 5185 1 63 73 GLU . 5185 1 64 74 SER . 5185 1 65 75 ASN . 5185 1 66 76 ILE . 5185 1 67 77 THR . 5185 1 68 78 MET . 5185 1 69 79 GLN . 5185 1 70 80 ILE . 5185 1 71 81 MET . 5185 1 72 82 ARG . 5185 1 73 83 ILE . 5185 1 74 84 LYS . 5185 1 75 85 PRO . 5185 1 76 86 HIS . 5185 1 77 87 GLN . 5185 1 78 88 GLY . 5185 1 79 89 GLN . 5185 1 80 90 HIS . 5185 1 81 91 ILE . 5185 1 82 92 GLY . 5185 1 83 93 GLU . 5185 1 84 94 MET . 5185 1 85 95 SER . 5185 1 86 96 PHE . 5185 1 87 97 LEU . 5185 1 88 98 GLN . 5185 1 89 99 HIS . 5185 1 90 100 ASN . 5185 1 91 101 LYS . 5185 1 92 102 CYS . 5185 1 93 103 GLU . 5185 1 94 104 CYS . 5185 1 95 105 ARG . 5185 1 96 106 PRO . 5185 1 97 107 LYS . 5185 1 98 108 LYS . 5185 1 99 109 ASP . 5185 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 . HIS 1 1 5185 1 . HIS 2 2 5185 1 . GLU 3 3 5185 1 . VAL 4 4 5185 1 . VAL 5 5 5185 1 . LYS 6 6 5185 1 . PHE 7 7 5185 1 . MET 8 8 5185 1 . ASP 9 9 5185 1 . VAL 10 10 5185 1 . TYR 11 11 5185 1 . GLN 12 12 5185 1 . ARG 13 13 5185 1 . SER 14 14 5185 1 . TYR 15 15 5185 1 . CYS 16 16 5185 1 . HIS 17 17 5185 1 . PRO 18 18 5185 1 . ILE 19 19 5185 1 . GLU 20 20 5185 1 . THR 21 21 5185 1 . LEU 22 22 5185 1 . VAL 23 23 5185 1 . ASP 24 24 5185 1 . ILE 25 25 5185 1 . PHE 26 26 5185 1 . GLN 27 27 5185 1 . GLU 28 28 5185 1 . TYR 29 29 5185 1 . PRO 30 30 5185 1 . ASP 31 31 5185 1 . GLU 32 32 5185 1 . ILE 33 33 5185 1 . GLU 34 34 5185 1 . TYR 35 35 5185 1 . ILE 36 36 5185 1 . PHE 37 37 5185 1 . LYS 38 38 5185 1 . PRO 39 39 5185 1 . SER 40 40 5185 1 . CYS 41 41 5185 1 . VAL 42 42 5185 1 . PRO 43 43 5185 1 . LEU 44 44 5185 1 . MET 45 45 5185 1 . ARG 46 46 5185 1 . CYS 47 47 5185 1 . GLY 48 48 5185 1 . GLY 49 49 5185 1 . CYS 50 50 5185 1 . CYS 51 51 5185 1 . ASN 52 52 5185 1 . ASP 53 53 5185 1 . GLU 54 54 5185 1 . GLY 55 55 5185 1 . LEU 56 56 5185 1 . GLU 57 57 5185 1 . CYS 58 58 5185 1 . VAL 59 59 5185 1 . PRO 60 60 5185 1 . THR 61 61 5185 1 . GLU 62 62 5185 1 . GLU 63 63 5185 1 . SER 64 64 5185 1 . ASN 65 65 5185 1 . ILE 66 66 5185 1 . THR 67 67 5185 1 . MET 68 68 5185 1 . GLN 69 69 5185 1 . ILE 70 70 5185 1 . MET 71 71 5185 1 . ARG 72 72 5185 1 . ILE 73 73 5185 1 . LYS 74 74 5185 1 . PRO 75 75 5185 1 . HIS 76 76 5185 1 . GLN 77 77 5185 1 . GLY 78 78 5185 1 . GLN 79 79 5185 1 . HIS 80 80 5185 1 . ILE 81 81 5185 1 . GLY 82 82 5185 1 . GLU 83 83 5185 1 . MET 84 84 5185 1 . SER 85 85 5185 1 . PHE 86 86 5185 1 . LEU 87 87 5185 1 . GLN 88 88 5185 1 . HIS 89 89 5185 1 . ASN 90 90 5185 1 . LYS 91 91 5185 1 . CYS 92 92 5185 1 . GLU 93 93 5185 1 . CYS 94 94 5185 1 . ARG 95 95 5185 1 . PRO 96 96 5185 1 . LYS 97 97 5185 1 . LYS 98 98 5185 1 . ASP 99 99 5185 1 stop_ save_ save_v107 _Entity.Sf_category entity _Entity.Sf_framecode v107 _Entity.Entry_ID 5185 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'v107 peptide' _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 GGNECDIARMWEWECFERL _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 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 2343.0 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . BMRB 5198 . 'v107 peptide' . . . . . 100.00 19 100.00 100.00 1.14e-02 . . . . 5185 2 . . PDB 1KAT . 'Solution Structure Of A Phage-Derived Peptide Antagonist In Complex With Vascular Endothelial Growth Factor' . . . . . 100.00 19 100.00 100.00 1.14e-02 . . . . 5185 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'v107 peptide' common 5185 2 v107 variant 5185 2 v107 abbreviation 5185 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5185 2 2 . GLY . 5185 2 3 . ASN . 5185 2 4 . GLU . 5185 2 5 . CYS . 5185 2 6 . ASP . 5185 2 7 . ILE . 5185 2 8 . ALA . 5185 2 9 . ARG . 5185 2 10 . MET . 5185 2 11 . TRP . 5185 2 12 . GLU . 5185 2 13 . TRP . 5185 2 14 . GLU . 5185 2 15 . CYS . 5185 2 16 . PHE . 5185 2 17 . GLU . 5185 2 18 . ARG . 5185 2 19 . LEU . 5185 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5185 2 . GLY 2 2 5185 2 . ASN 3 3 5185 2 . GLU 4 4 5185 2 . CYS 5 5 5185 2 . ASP 6 6 5185 2 . ILE 7 7 5185 2 . ALA 8 8 5185 2 . ARG 9 9 5185 2 . MET 10 10 5185 2 . TRP 11 11 5185 2 . GLU 12 12 5185 2 . TRP 13 13 5185 2 . GLU 14 14 5185 2 . CYS 15 15 5185 2 . PHE 16 16 5185 2 . GLU 17 17 5185 2 . ARG 18 18 5185 2 . LEU 19 19 5185 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 5185 _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 $VEGF . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5185 1 2 2 $v107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5185 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 5185 _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 $VEGF . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 5185 1 2 2 $v107 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5185 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5185 _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 'vascular endothelial growth factor' '[U-98% 13C; U-98% 15N]' . . 1 $VEGF . . 2.0 . . mM . . . . 5185 1 2 'v107 peptide' . . . 2 $v107 . . 2.25 . . mM . . . . 5185 1 3 H2O . . . . . . . 90 . . % . . . . 5185 1 4 D2O . . . . . . . 10 . . % . . . . 5185 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 5185 _Sample.ID 2 _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 'vascular endothelial growth factor' '[U-98% 13C; U-98% 15N]' . . 1 $VEGF . . 2.0 . . mM . . . . 5185 2 2 'v107 peptide' . . . 2 $v107 . . 2.25 . . mM . . . . 5185 2 3 D2O . . . . . . . 100 . . % . . . . 5185 2 stop_ save_ ####################### # Sample conditions # ####################### save_Cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond_1 _Sample_condition_list.Entry_ID 5185 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 n/a 5185 1 temperature 318 0.2 K 5185 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5185 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5185 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5185 _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_1 Bruker DRX . 600 . . . 5185 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 5185 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 5185 _Experiment_list.ID 1 _Experiment_list.Details . 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 5185 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5185 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5185 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5185 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5185 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 . 5185 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 HIS HA H 1 3.96 0.02 . 1 . . . . . . . . 5185 1 2 . 1 1 1 1 HIS HB2 H 1 3.05 0.02 . 1 . . . . . . . . 5185 1 3 . 1 1 1 1 HIS HB3 H 1 3.05 0.02 . 1 . . . . . . . . 5185 1 4 . 1 1 1 1 HIS CA C 13 56.55 0.20 . 1 . . . . . . . . 5185 1 5 . 1 1 1 1 HIS CB C 13 32.93 0.20 . 1 . . . . . . . . 5185 1 6 . 1 1 2 2 HIS HA H 1 4.67 0.02 . 1 . . . . . . . . 5185 1 7 . 1 1 2 2 HIS HB2 H 1 3.14 0.02 . 2 . . . . . . . . 5185 1 8 . 1 1 2 2 HIS HB3 H 1 3.07 0.02 . 2 . . . . . . . . 5185 1 9 . 1 1 2 2 HIS CA C 13 56.23 0.20 . 1 . . . . . . . . 5185 1 10 . 1 1 2 2 HIS CB C 13 31.29 0.20 . 1 . . . . . . . . 5185 1 11 . 1 1 3 3 GLU HA H 1 4.34 0.02 . 1 . . . . . . . . 5185 1 12 . 1 1 3 3 GLU HB2 H 1 2.03 0.02 . 2 . . . . . . . . 5185 1 13 . 1 1 3 3 GLU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5185 1 14 . 1 1 3 3 GLU HG2 H 1 2.25 0.02 . 2 . . . . . . . . 5185 1 15 . 1 1 3 3 GLU HG3 H 1 2.21 0.02 . 2 . . . . . . . . 5185 1 16 . 1 1 3 3 GLU C C 13 175.71 0.20 . 1 . . . . . . . . 5185 1 17 . 1 1 3 3 GLU CA C 13 56.55 0.20 . 1 . . . . . . . . 5185 1 18 . 1 1 3 3 GLU CB C 13 30.56 0.20 . 1 . . . . . . . . 5185 1 19 . 1 1 3 3 GLU CG C 13 36.19 0.20 . 1 . . . . . . . . 5185 1 20 . 1 1 4 4 VAL H H 1 7.99 0.02 . 1 . . . . . . . . 5185 1 21 . 1 1 4 4 VAL HA H 1 4.25 0.02 . 1 . . . . . . . . 5185 1 22 . 1 1 4 4 VAL HB H 1 1.84 0.02 . 1 . . . . . . . . 5185 1 23 . 1 1 4 4 VAL HG11 H 1 0.72 0.02 . 1 . . . . . . . . 5185 1 24 . 1 1 4 4 VAL HG12 H 1 0.72 0.02 . 1 . . . . . . . . 5185 1 25 . 1 1 4 4 VAL HG13 H 1 0.72 0.02 . 1 . . . . . . . . 5185 1 26 . 1 1 4 4 VAL HG21 H 1 0.81 0.02 . 1 . . . . . . . . 5185 1 27 . 1 1 4 4 VAL HG22 H 1 0.81 0.02 . 1 . . . . . . . . 5185 1 28 . 1 1 4 4 VAL HG23 H 1 0.81 0.02 . 1 . . . . . . . . 5185 1 29 . 1 1 4 4 VAL C C 13 175.63 0.20 . 1 . . . . . . . . 5185 1 30 . 1 1 4 4 VAL CA C 13 61.43 0.20 . 1 . . . . . . . . 5185 1 31 . 1 1 4 4 VAL CB C 13 33.50 0.20 . 1 . . . . . . . . 5185 1 32 . 1 1 4 4 VAL CG1 C 13 20.80 0.20 . 1 . . . . . . . . 5185 1 33 . 1 1 4 4 VAL CG2 C 13 21.64 0.20 . 1 . . . . . . . . 5185 1 34 . 1 1 4 4 VAL N N 15 122.83 0.10 . 1 . . . . . . . . 5185 1 35 . 1 1 5 5 VAL H H 1 8.47 0.02 . 1 . . . . . . . . 5185 1 36 . 1 1 5 5 VAL HA H 1 4.09 0.02 . 1 . . . . . . . . 5185 1 37 . 1 1 5 5 VAL HB H 1 2.02 0.02 . 1 . . . . . . . . 5185 1 38 . 1 1 5 5 VAL HG11 H 1 1.11 0.02 . 1 . . . . . . . . 5185 1 39 . 1 1 5 5 VAL HG12 H 1 1.11 0.02 . 1 . . . . . . . . 5185 1 40 . 1 1 5 5 VAL HG13 H 1 1.11 0.02 . 1 . . . . . . . . 5185 1 41 . 1 1 5 5 VAL HG21 H 1 1.08 0.02 . 1 . . . . . . . . 5185 1 42 . 1 1 5 5 VAL HG22 H 1 1.08 0.02 . 1 . . . . . . . . 5185 1 43 . 1 1 5 5 VAL HG23 H 1 1.08 0.02 . 1 . . . . . . . . 5185 1 44 . 1 1 5 5 VAL C C 13 175.82 0.20 . 1 . . . . . . . . 5185 1 45 . 1 1 5 5 VAL CA C 13 62.72 0.20 . 1 . . . . . . . . 5185 1 46 . 1 1 5 5 VAL CB C 13 31.79 0.20 . 1 . . . . . . . . 5185 1 47 . 1 1 5 5 VAL CG1 C 13 22.53 0.20 . 1 . . . . . . . . 5185 1 48 . 1 1 5 5 VAL CG2 C 13 20.95 0.20 . 1 . . . . . . . . 5185 1 49 . 1 1 5 5 VAL N N 15 128.25 0.10 . 1 . . . . . . . . 5185 1 50 . 1 1 6 6 LYS H H 1 8.79 0.02 . 1 . . . . . . . . 5185 1 51 . 1 1 6 6 LYS HA H 1 4.08 0.02 . 1 . . . . . . . . 5185 1 52 . 1 1 6 6 LYS HB2 H 1 1.98 0.02 . 1 . . . . . . . . 5185 1 53 . 1 1 6 6 LYS HB3 H 1 1.98 0.02 . 1 . . . . . . . . 5185 1 54 . 1 1 6 6 LYS HG2 H 1 1.63 0.02 . 2 . . . . . . . . 5185 1 55 . 1 1 6 6 LYS HG3 H 1 1.53 0.02 . 2 . . . . . . . . 5185 1 56 . 1 1 6 6 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 5185 1 57 . 1 1 6 6 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 5185 1 58 . 1 1 6 6 LYS HE2 H 1 3.05 0.02 . 1 . . . . . . . . 5185 1 59 . 1 1 6 6 LYS HE3 H 1 3.05 0.02 . 1 . . . . . . . . 5185 1 60 . 1 1 6 6 LYS C C 13 177.98 0.20 . 1 . . . . . . . . 5185 1 61 . 1 1 6 6 LYS CA C 13 56.63 0.20 . 1 . . . . . . . . 5185 1 62 . 1 1 6 6 LYS CB C 13 32.75 0.20 . 1 . . . . . . . . 5185 1 63 . 1 1 6 6 LYS CG C 13 25.36 0.20 . 1 . . . . . . . . 5185 1 64 . 1 1 6 6 LYS CD C 13 29.16 0.20 . 1 . . . . . . . . 5185 1 65 . 1 1 6 6 LYS CE C 13 41.92 0.20 . 1 . . . . . . . . 5185 1 66 . 1 1 6 6 LYS N N 15 127.22 0.10 . 1 . . . . . . . . 5185 1 67 . 1 1 7 7 PHE H H 1 8.69 0.02 . 1 . . . . . . . . 5185 1 68 . 1 1 7 7 PHE HA H 1 4.42 0.02 . 1 . . . . . . . . 5185 1 69 . 1 1 7 7 PHE HB2 H 1 3.11 0.02 . 1 . . . . . . . . 5185 1 70 . 1 1 7 7 PHE HB3 H 1 2.73 0.02 . 1 . . . . . . . . 5185 1 71 . 1 1 7 7 PHE HD1 H 1 7.04 0.02 . 1 . . . . . . . . 5185 1 72 . 1 1 7 7 PHE HD2 H 1 7.04 0.02 . 1 . . . . . . . . 5185 1 73 . 1 1 7 7 PHE HE1 H 1 6.86 0.02 . 1 . . . . . . . . 5185 1 74 . 1 1 7 7 PHE HE2 H 1 6.86 0.02 . 1 . . . . . . . . 5185 1 75 . 1 1 7 7 PHE HZ H 1 6.19 0.02 . 1 . . . . . . . . 5185 1 76 . 1 1 7 7 PHE C C 13 176.10 0.20 . 1 . . . . . . . . 5185 1 77 . 1 1 7 7 PHE CA C 13 61.77 0.20 . 1 . . . . . . . . 5185 1 78 . 1 1 7 7 PHE CB C 13 39.86 0.20 . 1 . . . . . . . . 5185 1 79 . 1 1 7 7 PHE CD1 C 13 131.06 0.20 . 1 . . . . . . . . 5185 1 80 . 1 1 7 7 PHE CD2 C 13 131.06 0.20 . 1 . . . . . . . . 5185 1 81 . 1 1 7 7 PHE CE1 C 13 131.26 0.20 . 1 . . . . . . . . 5185 1 82 . 1 1 7 7 PHE CE2 C 13 131.26 0.20 . 1 . . . . . . . . 5185 1 83 . 1 1 7 7 PHE CZ C 13 128.84 0.20 . 1 . . . . . . . . 5185 1 84 . 1 1 7 7 PHE N N 15 122.11 0.10 . 1 . . . . . . . . 5185 1 85 . 1 1 8 8 MET H H 1 8.91 0.02 . 1 . . . . . . . . 5185 1 86 . 1 1 8 8 MET HA H 1 4.34 0.02 . 1 . . . . . . . . 5185 1 87 . 1 1 8 8 MET HB2 H 1 2.06 0.02 . 1 . . . . . . . . 5185 1 88 . 1 1 8 8 MET HB3 H 1 2.06 0.02 . 1 . . . . . . . . 5185 1 89 . 1 1 8 8 MET HG2 H 1 2.30 0.02 . 1 . . . . . . . . 5185 1 90 . 1 1 8 8 MET HG3 H 1 2.30 0.02 . 1 . . . . . . . . 5185 1 91 . 1 1 8 8 MET HE1 H 1 2.50 0.02 . 1 . . . . . . . . 5185 1 92 . 1 1 8 8 MET HE2 H 1 2.50 0.02 . 1 . . . . . . . . 5185 1 93 . 1 1 8 8 MET HE3 H 1 2.50 0.02 . 1 . . . . . . . . 5185 1 94 . 1 1 8 8 MET C C 13 179.33 0.20 . 1 . . . . . . . . 5185 1 95 . 1 1 8 8 MET CA C 13 56.94 0.20 . 1 . . . . . . . . 5185 1 96 . 1 1 8 8 MET CB C 13 29.44 0.20 . 1 . . . . . . . . 5185 1 97 . 1 1 8 8 MET CG C 13 33.75 0.20 . 1 . . . . . . . . 5185 1 98 . 1 1 8 8 MET CE C 13 15.59 0.20 . 1 . . . . . . . . 5185 1 99 . 1 1 8 8 MET N N 15 114.31 0.10 . 1 . . . . . . . . 5185 1 100 . 1 1 9 9 ASP H H 1 7.24 0.02 . 1 . . . . . . . . 5185 1 101 . 1 1 9 9 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 5185 1 102 . 1 1 9 9 ASP HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5185 1 103 . 1 1 9 9 ASP HB3 H 1 2.67 0.02 . 2 . . . . . . . . 5185 1 104 . 1 1 9 9 ASP C C 13 177.76 0.20 . 1 . . . . . . . . 5185 1 105 . 1 1 9 9 ASP CA C 13 57.18 0.20 . 1 . . . . . . . . 5185 1 106 . 1 1 9 9 ASP CB C 13 40.64 0.20 . 1 . . . . . . . . 5185 1 107 . 1 1 9 9 ASP N N 15 118.89 0.10 . 1 . . . . . . . . 5185 1 108 . 1 1 10 10 VAL H H 1 7.81 0.02 . 1 . . . . . . . . 5185 1 109 . 1 1 10 10 VAL HA H 1 3.38 0.02 . 1 . . . . . . . . 5185 1 110 . 1 1 10 10 VAL HB H 1 2.24 0.02 . 1 . . . . . . . . 5185 1 111 . 1 1 10 10 VAL HG11 H 1 1.06 0.02 . 1 . . . . . . . . 5185 1 112 . 1 1 10 10 VAL HG12 H 1 1.06 0.02 . 1 . . . . . . . . 5185 1 113 . 1 1 10 10 VAL HG13 H 1 1.06 0.02 . 1 . . . . . . . . 5185 1 114 . 1 1 10 10 VAL HG21 H 1 1.12 0.02 . 1 . . . . . . . . 5185 1 115 . 1 1 10 10 VAL HG22 H 1 1.12 0.02 . 1 . . . . . . . . 5185 1 116 . 1 1 10 10 VAL HG23 H 1 1.12 0.02 . 1 . . . . . . . . 5185 1 117 . 1 1 10 10 VAL C C 13 177.96 0.20 . 1 . . . . . . . . 5185 1 118 . 1 1 10 10 VAL CA C 13 66.63 0.20 . 1 . . . . . . . . 5185 1 119 . 1 1 10 10 VAL CB C 13 31.86 0.20 . 1 . . . . . . . . 5185 1 120 . 1 1 10 10 VAL CG1 C 13 22.46 0.20 . 1 . . . . . . . . 5185 1 121 . 1 1 10 10 VAL CG2 C 13 23.62 0.20 . 1 . . . . . . . . 5185 1 122 . 1 1 10 10 VAL N N 15 119.77 0.10 . 1 . . . . . . . . 5185 1 123 . 1 1 11 11 TYR H H 1 8.55 0.02 . 1 . . . . . . . . 5185 1 124 . 1 1 11 11 TYR HA H 1 4.01 0.02 . 1 . . . . . . . . 5185 1 125 . 1 1 11 11 TYR HB2 H 1 2.68 0.02 . 1 . . . . . . . . 5185 1 126 . 1 1 11 11 TYR HB3 H 1 2.40 0.02 . 1 . . . . . . . . 5185 1 127 . 1 1 11 11 TYR HD1 H 1 7.09 0.02 . 1 . . . . . . . . 5185 1 128 . 1 1 11 11 TYR HD2 H 1 7.09 0.02 . 1 . . . . . . . . 5185 1 129 . 1 1 11 11 TYR HE1 H 1 7.45 0.02 . 1 . . . . . . . . 5185 1 130 . 1 1 11 11 TYR HE2 H 1 7.45 0.02 . 1 . . . . . . . . 5185 1 131 . 1 1 11 11 TYR C C 13 177.59 0.20 . 1 . . . . . . . . 5185 1 132 . 1 1 11 11 TYR CA C 13 61.06 0.20 . 1 . . . . . . . . 5185 1 133 . 1 1 11 11 TYR CB C 13 38.44 0.20 . 1 . . . . . . . . 5185 1 134 . 1 1 11 11 TYR CD1 C 13 132.56 0.20 . 1 . . . . . . . . 5185 1 135 . 1 1 11 11 TYR CD2 C 13 132.56 0.20 . 1 . . . . . . . . 5185 1 136 . 1 1 11 11 TYR CE1 C 13 118.34 0.20 . 1 . . . . . . . . 5185 1 137 . 1 1 11 11 TYR CE2 C 13 118.34 0.20 . 1 . . . . . . . . 5185 1 138 . 1 1 11 11 TYR N N 15 118.68 0.10 . 1 . . . . . . . . 5185 1 139 . 1 1 12 12 GLN H H 1 8.26 0.02 . 1 . . . . . . . . 5185 1 140 . 1 1 12 12 GLN HA H 1 3.82 0.02 . 1 . . . . . . . . 5185 1 141 . 1 1 12 12 GLN HB2 H 1 2.03 0.02 . 1 . . . . . . . . 5185 1 142 . 1 1 12 12 GLN HB3 H 1 2.29 0.02 . 1 . . . . . . . . 5185 1 143 . 1 1 12 12 GLN HG2 H 1 3.02 0.02 . 2 . . . . . . . . 5185 1 144 . 1 1 12 12 GLN HG3 H 1 2.52 0.02 . 2 . . . . . . . . 5185 1 145 . 1 1 12 12 GLN HE21 H 1 7.32 0.02 . 1 . . . . . . . . 5185 1 146 . 1 1 12 12 GLN HE22 H 1 6.81 0.02 . 1 . . . . . . . . 5185 1 147 . 1 1 12 12 GLN C C 13 178.29 0.20 . 1 . . . . . . . . 5185 1 148 . 1 1 12 12 GLN CA C 13 59.23 0.20 . 1 . . . . . . . . 5185 1 149 . 1 1 12 12 GLN CB C 13 28.17 0.20 . 1 . . . . . . . . 5185 1 150 . 1 1 12 12 GLN CG C 13 35.27 0.20 . 1 . . . . . . . . 5185 1 151 . 1 1 12 12 GLN N N 15 115.68 0.10 . 1 . . . . . . . . 5185 1 152 . 1 1 12 12 GLN NE2 N 15 110.21 0.10 . 1 . . . . . . . . 5185 1 153 . 1 1 13 13 ARG H H 1 7.76 0.02 . 1 . . . . . . . . 5185 1 154 . 1 1 13 13 ARG HA H 1 4.03 0.02 . 1 . . . . . . . . 5185 1 155 . 1 1 13 13 ARG HB2 H 1 1.84 0.02 . 1 . . . . . . . . 5185 1 156 . 1 1 13 13 ARG HB3 H 1 1.84 0.02 . 1 . . . . . . . . 5185 1 157 . 1 1 13 13 ARG HG2 H 1 1.98 0.02 . 2 . . . . . . . . 5185 1 158 . 1 1 13 13 ARG HG3 H 1 1.66 0.02 . 2 . . . . . . . . 5185 1 159 . 1 1 13 13 ARG HD2 H 1 3.24 0.02 . 2 . . . . . . . . 5185 1 160 . 1 1 13 13 ARG HD3 H 1 3.03 0.02 . 2 . . . . . . . . 5185 1 161 . 1 1 13 13 ARG C C 13 177.25 0.20 . 1 . . . . . . . . 5185 1 162 . 1 1 13 13 ARG CA C 13 57.91 0.20 . 1 . . . . . . . . 5185 1 163 . 1 1 13 13 ARG CB C 13 31.34 0.20 . 1 . . . . . . . . 5185 1 164 . 1 1 13 13 ARG CG C 13 27.85 0.20 . 1 . . . . . . . . 5185 1 165 . 1 1 13 13 ARG CD C 13 43.64 0.20 . 1 . . . . . . . . 5185 1 166 . 1 1 13 13 ARG N N 15 116.13 0.10 . 1 . . . . . . . . 5185 1 167 . 1 1 14 14 SER H H 1 7.83 0.02 . 1 . . . . . . . . 5185 1 168 . 1 1 14 14 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 5185 1 169 . 1 1 14 14 SER HB2 H 1 3.57 0.02 . 1 . . . . . . . . 5185 1 170 . 1 1 14 14 SER HB3 H 1 3.57 0.02 . 1 . . . . . . . . 5185 1 171 . 1 1 14 14 SER C C 13 172.57 0.20 . 1 . . . . . . . . 5185 1 172 . 1 1 14 14 SER CA C 13 58.54 0.20 . 1 . . . . . . . . 5185 1 173 . 1 1 14 14 SER CB C 13 64.63 0.20 . 1 . . . . . . . . 5185 1 174 . 1 1 14 14 SER N N 15 112.74 0.10 . 1 . . . . . . . . 5185 1 175 . 1 1 15 15 TYR H H 1 6.86 0.02 . 1 . . . . . . . . 5185 1 176 . 1 1 15 15 TYR HA H 1 4.19 0.02 . 1 . . . . . . . . 5185 1 177 . 1 1 15 15 TYR HB2 H 1 2.70 0.02 . 1 . . . . . . . . 5185 1 178 . 1 1 15 15 TYR HB3 H 1 2.56 0.02 . 1 . . . . . . . . 5185 1 179 . 1 1 15 15 TYR HD1 H 1 7.03 0.02 . 1 . . . . . . . . 5185 1 180 . 1 1 15 15 TYR HD2 H 1 7.03 0.02 . 1 . . . . . . . . 5185 1 181 . 1 1 15 15 TYR HE1 H 1 6.68 0.02 . 1 . . . . . . . . 5185 1 182 . 1 1 15 15 TYR HE2 H 1 6.68 0.02 . 1 . . . . . . . . 5185 1 183 . 1 1 15 15 TYR C C 13 175.23 0.20 . 1 . . . . . . . . 5185 1 184 . 1 1 15 15 TYR CA C 13 59.66 0.20 . 1 . . . . . . . . 5185 1 185 . 1 1 15 15 TYR CB C 13 38.47 0.20 . 1 . . . . . . . . 5185 1 186 . 1 1 15 15 TYR CD1 C 13 134.33 0.20 . 1 . . . . . . . . 5185 1 187 . 1 1 15 15 TYR CD2 C 13 134.33 0.20 . 1 . . . . . . . . 5185 1 188 . 1 1 15 15 TYR CE1 C 13 116.59 0.20 . 1 . . . . . . . . 5185 1 189 . 1 1 15 15 TYR CE2 C 13 116.59 0.20 . 1 . . . . . . . . 5185 1 190 . 1 1 15 15 TYR N N 15 123.40 0.10 . 1 . . . . . . . . 5185 1 191 . 1 1 16 16 CYS H H 1 7.13 0.02 . 1 . . . . . . . . 5185 1 192 . 1 1 16 16 CYS HA H 1 4.70 0.02 . 1 . . . . . . . . 5185 1 193 . 1 1 16 16 CYS HB2 H 1 2.10 0.02 . 1 . . . . . . . . 5185 1 194 . 1 1 16 16 CYS HB3 H 1 2.10 0.02 . 1 . . . . . . . . 5185 1 195 . 1 1 16 16 CYS C C 13 171.53 0.20 . 1 . . . . . . . . 5185 1 196 . 1 1 16 16 CYS CA C 13 55.68 0.20 . 1 . . . . . . . . 5185 1 197 . 1 1 16 16 CYS CB C 13 37.71 0.20 . 1 . . . . . . . . 5185 1 198 . 1 1 16 16 CYS N N 15 127.35 0.10 . 1 . . . . . . . . 5185 1 199 . 1 1 17 17 HIS H H 1 9.20 0.02 . 1 . . . . . . . . 5185 1 200 . 1 1 17 17 HIS HA H 1 4.84 0.02 . 1 . . . . . . . . 5185 1 201 . 1 1 17 17 HIS HB2 H 1 3.67 0.02 . 2 . . . . . . . . 5185 1 202 . 1 1 17 17 HIS HB3 H 1 3.36 0.02 . 2 . . . . . . . . 5185 1 203 . 1 1 17 17 HIS C C 13 170.46 0.20 . 1 . . . . . . . . 5185 1 204 . 1 1 17 17 HIS CA C 13 55.73 0.20 . 1 . . . . . . . . 5185 1 205 . 1 1 17 17 HIS CB C 13 26.36 0.20 . 1 . . . . . . . . 5185 1 206 . 1 1 17 17 HIS N N 15 124.72 0.10 . 1 . . . . . . . . 5185 1 207 . 1 1 18 18 PRO HA H 1 4.31 0.02 . 1 . . . . . . . . 5185 1 208 . 1 1 18 18 PRO HB2 H 1 1.90 0.02 . 1 . . . . . . . . 5185 1 209 . 1 1 18 18 PRO HB3 H 1 1.90 0.02 . 1 . . . . . . . . 5185 1 210 . 1 1 18 18 PRO HG2 H 1 1.99 0.02 . 2 . . . . . . . . 5185 1 211 . 1 1 18 18 PRO HG3 H 1 1.91 0.02 . 2 . . . . . . . . 5185 1 212 . 1 1 18 18 PRO HD2 H 1 3.58 0.02 . 2 . . . . . . . . 5185 1 213 . 1 1 18 18 PRO HD3 H 1 3.24 0.02 . 2 . . . . . . . . 5185 1 214 . 1 1 18 18 PRO C C 13 175.22 0.20 . 1 . . . . . . . . 5185 1 215 . 1 1 18 18 PRO CA C 13 64.59 0.20 . 1 . . . . . . . . 5185 1 216 . 1 1 18 18 PRO CB C 13 31.78 0.20 . 1 . . . . . . . . 5185 1 217 . 1 1 18 18 PRO CG C 13 26.86 0.20 . 1 . . . . . . . . 5185 1 218 . 1 1 18 18 PRO CD C 13 50.16 0.20 . 1 . . . . . . . . 5185 1 219 . 1 1 19 19 ILE H H 1 8.99 0.02 . 1 . . . . . . . . 5185 1 220 . 1 1 19 19 ILE HA H 1 4.55 0.02 . 1 . . . . . . . . 5185 1 221 . 1 1 19 19 ILE HB H 1 1.39 0.02 . 1 . . . . . . . . 5185 1 222 . 1 1 19 19 ILE HG12 H 1 1.45 0.02 . 2 . . . . . . . . 5185 1 223 . 1 1 19 19 ILE HG13 H 1 1.08 0.02 . 2 . . . . . . . . 5185 1 224 . 1 1 19 19 ILE HG21 H 1 0.62 0.02 . 1 . . . . . . . . 5185 1 225 . 1 1 19 19 ILE HG22 H 1 0.62 0.02 . 1 . . . . . . . . 5185 1 226 . 1 1 19 19 ILE HG23 H 1 0.62 0.02 . 1 . . . . . . . . 5185 1 227 . 1 1 19 19 ILE HD11 H 1 0.69 0.02 . 1 . . . . . . . . 5185 1 228 . 1 1 19 19 ILE HD12 H 1 0.69 0.02 . 1 . . . . . . . . 5185 1 229 . 1 1 19 19 ILE HD13 H 1 0.69 0.02 . 1 . . . . . . . . 5185 1 230 . 1 1 19 19 ILE C C 13 175.10 0.20 . 1 . . . . . . . . 5185 1 231 . 1 1 19 19 ILE CA C 13 59.10 0.20 . 1 . . . . . . . . 5185 1 232 . 1 1 19 19 ILE CB C 13 42.60 0.20 . 1 . . . . . . . . 5185 1 233 . 1 1 19 19 ILE CG1 C 13 27.45 0.20 . 1 . . . . . . . . 5185 1 234 . 1 1 19 19 ILE CG2 C 13 16.16 0.20 . 1 . . . . . . . . 5185 1 235 . 1 1 19 19 ILE CD1 C 13 14.24 0.20 . 1 . . . . . . . . 5185 1 236 . 1 1 19 19 ILE N N 15 124.03 0.10 . 1 . . . . . . . . 5185 1 237 . 1 1 20 20 GLU H H 1 8.60 0.02 . 1 . . . . . . . . 5185 1 238 . 1 1 20 20 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . 5185 1 239 . 1 1 20 20 GLU HB2 H 1 1.96 0.02 . 1 . . . . . . . . 5185 1 240 . 1 1 20 20 GLU HB3 H 1 1.96 0.02 . 1 . . . . . . . . 5185 1 241 . 1 1 20 20 GLU HG2 H 1 2.00 0.02 . 1 . . . . . . . . 5185 1 242 . 1 1 20 20 GLU HG3 H 1 2.00 0.02 . 1 . . . . . . . . 5185 1 243 . 1 1 20 20 GLU C C 13 175.18 0.20 . 1 . . . . . . . . 5185 1 244 . 1 1 20 20 GLU CA C 13 58.99 0.20 . 1 . . . . . . . . 5185 1 245 . 1 1 20 20 GLU CB C 13 29.48 0.20 . 1 . . . . . . . . 5185 1 246 . 1 1 20 20 GLU CG C 13 36.80 0.20 . 1 . . . . . . . . 5185 1 247 . 1 1 20 20 GLU N N 15 129.77 0.10 . 1 . . . . . . . . 5185 1 248 . 1 1 21 21 THR H H 1 9.38 0.02 . 1 . . . . . . . . 5185 1 249 . 1 1 21 21 THR HA H 1 4.29 0.02 . 1 . . . . . . . . 5185 1 250 . 1 1 21 21 THR HB H 1 3.86 0.02 . 1 . . . . . . . . 5185 1 251 . 1 1 21 21 THR HG21 H 1 1.09 0.02 . 1 . . . . . . . . 5185 1 252 . 1 1 21 21 THR HG22 H 1 1.09 0.02 . 1 . . . . . . . . 5185 1 253 . 1 1 21 21 THR HG23 H 1 1.09 0.02 . 1 . . . . . . . . 5185 1 254 . 1 1 21 21 THR C C 13 171.62 0.20 . 1 . . . . . . . . 5185 1 255 . 1 1 21 21 THR CA C 13 61.47 0.20 . 1 . . . . . . . . 5185 1 256 . 1 1 21 21 THR CB C 13 71.19 0.20 . 1 . . . . . . . . 5185 1 257 . 1 1 21 21 THR CG2 C 13 19.99 0.20 . 1 . . . . . . . . 5185 1 258 . 1 1 21 21 THR N N 15 127.14 0.10 . 1 . . . . . . . . 5185 1 259 . 1 1 22 22 LEU H H 1 8.57 0.02 . 1 . . . . . . . . 5185 1 260 . 1 1 22 22 LEU HA H 1 4.89 0.02 . 1 . . . . . . . . 5185 1 261 . 1 1 22 22 LEU HB2 H 1 1.76 0.02 . 2 . . . . . . . . 5185 1 262 . 1 1 22 22 LEU HB3 H 1 0.97 0.02 . 2 . . . . . . . . 5185 1 263 . 1 1 22 22 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 5185 1 264 . 1 1 22 22 LEU HD11 H 1 0.74 0.02 . 1 . . . . . . . . 5185 1 265 . 1 1 22 22 LEU HD12 H 1 0.74 0.02 . 1 . . . . . . . . 5185 1 266 . 1 1 22 22 LEU HD13 H 1 0.74 0.02 . 1 . . . . . . . . 5185 1 267 . 1 1 22 22 LEU HD21 H 1 0.73 0.02 . 1 . . . . . . . . 5185 1 268 . 1 1 22 22 LEU HD22 H 1 0.73 0.02 . 1 . . . . . . . . 5185 1 269 . 1 1 22 22 LEU HD23 H 1 0.73 0.02 . 1 . . . . . . . . 5185 1 270 . 1 1 22 22 LEU C C 13 176.17 0.20 . 1 . . . . . . . . 5185 1 271 . 1 1 22 22 LEU CA C 13 53.02 0.20 . 1 . . . . . . . . 5185 1 272 . 1 1 22 22 LEU CB C 13 39.59 0.20 . 1 . . . . . . . . 5185 1 273 . 1 1 22 22 LEU CG C 13 27.35 0.20 . 1 . . . . . . . . 5185 1 274 . 1 1 22 22 LEU CD1 C 13 24.75 0.20 . 1 . . . . . . . . 5185 1 275 . 1 1 22 22 LEU CD2 C 13 23.85 0.20 . 1 . . . . . . . . 5185 1 276 . 1 1 22 22 LEU N N 15 128.46 0.10 . 1 . . . . . . . . 5185 1 277 . 1 1 23 23 VAL H H 1 8.67 0.02 . 1 . . . . . . . . 5185 1 278 . 1 1 23 23 VAL HA H 1 4.13 0.02 . 1 . . . . . . . . 5185 1 279 . 1 1 23 23 VAL HB H 1 1.74 0.02 . 1 . . . . . . . . 5185 1 280 . 1 1 23 23 VAL HG11 H 1 0.86 0.02 . 1 . . . . . . . . 5185 1 281 . 1 1 23 23 VAL HG12 H 1 0.86 0.02 . 1 . . . . . . . . 5185 1 282 . 1 1 23 23 VAL HG13 H 1 0.86 0.02 . 1 . . . . . . . . 5185 1 283 . 1 1 23 23 VAL HG21 H 1 0.75 0.02 . 1 . . . . . . . . 5185 1 284 . 1 1 23 23 VAL HG22 H 1 0.75 0.02 . 1 . . . . . . . . 5185 1 285 . 1 1 23 23 VAL HG23 H 1 0.75 0.02 . 1 . . . . . . . . 5185 1 286 . 1 1 23 23 VAL C C 13 175.42 0.20 . 1 . . . . . . . . 5185 1 287 . 1 1 23 23 VAL CA C 13 61.07 0.20 . 1 . . . . . . . . 5185 1 288 . 1 1 23 23 VAL CB C 13 34.68 0.20 . 1 . . . . . . . . 5185 1 289 . 1 1 23 23 VAL CG1 C 13 21.69 0.20 . 1 . . . . . . . . 5185 1 290 . 1 1 23 23 VAL CG2 C 13 21.60 0.20 . 1 . . . . . . . . 5185 1 291 . 1 1 23 23 VAL N N 15 125.51 0.10 . 1 . . . . . . . . 5185 1 292 . 1 1 24 24 ASP H H 1 8.54 0.02 . 1 . . . . . . . . 5185 1 293 . 1 1 24 24 ASP HA H 1 4.71 0.02 . 1 . . . . . . . . 5185 1 294 . 1 1 24 24 ASP HB2 H 1 2.78 0.02 . 1 . . . . . . . . 5185 1 295 . 1 1 24 24 ASP HB3 H 1 2.65 0.02 . 1 . . . . . . . . 5185 1 296 . 1 1 24 24 ASP C C 13 177.58 0.20 . 1 . . . . . . . . 5185 1 297 . 1 1 24 24 ASP CA C 13 54.64 0.20 . 1 . . . . . . . . 5185 1 298 . 1 1 24 24 ASP CB C 13 41.99 0.20 . 1 . . . . . . . . 5185 1 299 . 1 1 24 24 ASP N N 15 127.07 0.10 . 1 . . . . . . . . 5185 1 300 . 1 1 25 25 ILE H H 1 8.62 0.02 . 1 . . . . . . . . 5185 1 301 . 1 1 25 25 ILE HA H 1 3.50 0.02 . 1 . . . . . . . . 5185 1 302 . 1 1 25 25 ILE HB H 1 1.43 0.02 . 1 . . . . . . . . 5185 1 303 . 1 1 25 25 ILE HG12 H 1 1.40 0.02 . 2 . . . . . . . . 5185 1 304 . 1 1 25 25 ILE HG13 H 1 0.81 0.02 . 2 . . . . . . . . 5185 1 305 . 1 1 25 25 ILE HG21 H 1 0.29 0.02 . 1 . . . . . . . . 5185 1 306 . 1 1 25 25 ILE HG22 H 1 0.29 0.02 . 1 . . . . . . . . 5185 1 307 . 1 1 25 25 ILE HG23 H 1 0.29 0.02 . 1 . . . . . . . . 5185 1 308 . 1 1 25 25 ILE HD11 H 1 0.70 0.02 . 1 . . . . . . . . 5185 1 309 . 1 1 25 25 ILE HD12 H 1 0.70 0.02 . 1 . . . . . . . . 5185 1 310 . 1 1 25 25 ILE HD13 H 1 0.70 0.02 . 1 . . . . . . . . 5185 1 311 . 1 1 25 25 ILE C C 13 177.94 0.20 . 1 . . . . . . . . 5185 1 312 . 1 1 25 25 ILE CA C 13 66.67 0.20 . 1 . . . . . . . . 5185 1 313 . 1 1 25 25 ILE CB C 13 37.76 0.20 . 1 . . . . . . . . 5185 1 314 . 1 1 25 25 ILE CG1 C 13 30.52 0.20 . 1 . . . . . . . . 5185 1 315 . 1 1 25 25 ILE CG2 C 13 17.04 0.20 . 1 . . . . . . . . 5185 1 316 . 1 1 25 25 ILE CD1 C 13 14.39 0.20 . 1 . . . . . . . . 5185 1 317 . 1 1 25 25 ILE N N 15 127.39 0.10 . 1 . . . . . . . . 5185 1 318 . 1 1 26 26 PHE H H 1 8.52 0.02 . 1 . . . . . . . . 5185 1 319 . 1 1 26 26 PHE HA H 1 4.52 0.02 . 1 . . . . . . . . 5185 1 320 . 1 1 26 26 PHE HB2 H 1 3.31 0.02 . 1 . . . . . . . . 5185 1 321 . 1 1 26 26 PHE HB3 H 1 3.31 0.02 . 1 . . . . . . . . 5185 1 322 . 1 1 26 26 PHE HD1 H 1 7.63 0.02 . 1 . . . . . . . . 5185 1 323 . 1 1 26 26 PHE HD2 H 1 7.63 0.02 . 1 . . . . . . . . 5185 1 324 . 1 1 26 26 PHE HE1 H 1 7.58 0.02 . 1 . . . . . . . . 5185 1 325 . 1 1 26 26 PHE HE2 H 1 7.58 0.02 . 1 . . . . . . . . 5185 1 326 . 1 1 26 26 PHE HZ H 1 7.67 0.02 . 1 . . . . . . . . 5185 1 327 . 1 1 26 26 PHE C C 13 177.16 0.20 . 1 . . . . . . . . 5185 1 328 . 1 1 26 26 PHE CA C 13 59.41 0.20 . 1 . . . . . . . . 5185 1 329 . 1 1 26 26 PHE CB C 13 38.09 0.20 . 1 . . . . . . . . 5185 1 330 . 1 1 26 26 PHE CD1 C 13 131.69 0.20 . 1 . . . . . . . . 5185 1 331 . 1 1 26 26 PHE CD2 C 13 131.69 0.20 . 1 . . . . . . . . 5185 1 332 . 1 1 26 26 PHE CE1 C 13 131.47 0.20 . 1 . . . . . . . . 5185 1 333 . 1 1 26 26 PHE CE2 C 13 131.47 0.20 . 1 . . . . . . . . 5185 1 334 . 1 1 26 26 PHE CZ C 13 130.38 0.20 . 1 . . . . . . . . 5185 1 335 . 1 1 26 26 PHE N N 15 117.21 0.10 . 1 . . . . . . . . 5185 1 336 . 1 1 27 27 GLN H H 1 7.56 0.02 . 1 . . . . . . . . 5185 1 337 . 1 1 27 27 GLN HA H 1 4.18 0.02 . 1 . . . . . . . . 5185 1 338 . 1 1 27 27 GLN HB2 H 1 2.30 0.02 . 1 . . . . . . . . 5185 1 339 . 1 1 27 27 GLN HB3 H 1 2.30 0.02 . 1 . . . . . . . . 5185 1 340 . 1 1 27 27 GLN HG2 H 1 2.48 0.02 . 1 . . . . . . . . 5185 1 341 . 1 1 27 27 GLN HG3 H 1 2.48 0.02 . 1 . . . . . . . . 5185 1 342 . 1 1 27 27 GLN HE21 H 1 7.68 0.02 . 1 . . . . . . . . 5185 1 343 . 1 1 27 27 GLN HE22 H 1 6.84 0.02 . 1 . . . . . . . . 5185 1 344 . 1 1 27 27 GLN C C 13 177.30 0.20 . 1 . . . . . . . . 5185 1 345 . 1 1 27 27 GLN CA C 13 57.84 0.20 . 1 . . . . . . . . 5185 1 346 . 1 1 27 27 GLN CB C 13 28.88 0.20 . 1 . . . . . . . . 5185 1 347 . 1 1 27 27 GLN CG C 13 34.29 0.20 . 1 . . . . . . . . 5185 1 348 . 1 1 27 27 GLN N N 15 116.11 0.10 . 1 . . . . . . . . 5185 1 349 . 1 1 27 27 GLN NE2 N 15 112.48 0.10 . 1 . . . . . . . . 5185 1 350 . 1 1 28 28 GLU H H 1 7.24 0.02 . 1 . . . . . . . . 5185 1 351 . 1 1 28 28 GLU HA H 1 4.16 0.02 . 1 . . . . . . . . 5185 1 352 . 1 1 28 28 GLU HB2 H 1 2.20 0.02 . 1 . . . . . . . . 5185 1 353 . 1 1 28 28 GLU HB3 H 1 2.20 0.02 . 1 . . . . . . . . 5185 1 354 . 1 1 28 28 GLU HG2 H 1 2.04 0.02 . 2 . . . . . . . . 5185 1 355 . 1 1 28 28 GLU HG3 H 1 1.96 0.02 . 2 . . . . . . . . 5185 1 356 . 1 1 28 28 GLU C C 13 176.11 0.20 . 1 . . . . . . . . 5185 1 357 . 1 1 28 28 GLU CA C 13 56.81 0.20 . 1 . . . . . . . . 5185 1 358 . 1 1 28 28 GLU CB C 13 31.21 0.20 . 1 . . . . . . . . 5185 1 359 . 1 1 28 28 GLU CG C 13 36.71 0.20 . 1 . . . . . . . . 5185 1 360 . 1 1 28 28 GLU N N 15 117.74 0.10 . 1 . . . . . . . . 5185 1 361 . 1 1 29 29 TYR H H 1 8.24 0.02 . 1 . . . . . . . . 5185 1 362 . 1 1 29 29 TYR HA H 1 4.93 0.02 . 1 . . . . . . . . 5185 1 363 . 1 1 29 29 TYR HB2 H 1 3.19 0.02 . 2 . . . . . . . . 5185 1 364 . 1 1 29 29 TYR HB3 H 1 2.56 0.02 . 2 . . . . . . . . 5185 1 365 . 1 1 29 29 TYR HD1 H 1 7.08 0.02 . 1 . . . . . . . . 5185 1 366 . 1 1 29 29 TYR HD2 H 1 7.08 0.02 . 1 . . . . . . . . 5185 1 367 . 1 1 29 29 TYR HE1 H 1 6.50 0.02 . 1 . . . . . . . . 5185 1 368 . 1 1 29 29 TYR HE2 H 1 6.50 0.02 . 1 . . . . . . . . 5185 1 369 . 1 1 29 29 TYR C C 13 173.46 0.20 . 1 . . . . . . . . 5185 1 370 . 1 1 29 29 TYR CA C 13 56.62 0.20 . 1 . . . . . . . . 5185 1 371 . 1 1 29 29 TYR CB C 13 38.37 0.20 . 1 . . . . . . . . 5185 1 372 . 1 1 29 29 TYR CD1 C 13 132.99 0.20 . 1 . . . . . . . . 5185 1 373 . 1 1 29 29 TYR CD2 C 13 132.99 0.20 . 1 . . . . . . . . 5185 1 374 . 1 1 29 29 TYR CE1 C 13 117.68 0.20 . 1 . . . . . . . . 5185 1 375 . 1 1 29 29 TYR CE2 C 13 117.68 0.20 . 1 . . . . . . . . 5185 1 376 . 1 1 29 29 TYR N N 15 117.84 0.10 . 1 . . . . . . . . 5185 1 377 . 1 1 30 30 PRO HA H 1 4.67 0.02 . 1 . . . . . . . . 5185 1 378 . 1 1 30 30 PRO HB2 H 1 2.34 0.02 . 2 . . . . . . . . 5185 1 379 . 1 1 30 30 PRO HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5185 1 380 . 1 1 30 30 PRO HG2 H 1 2.00 0.02 . 1 . . . . . . . . 5185 1 381 . 1 1 30 30 PRO HG3 H 1 2.00 0.02 . 1 . . . . . . . . 5185 1 382 . 1 1 30 30 PRO HD2 H 1 3.67 0.02 . 2 . . . . . . . . 5185 1 383 . 1 1 30 30 PRO HD3 H 1 3.57 0.02 . 2 . . . . . . . . 5185 1 384 . 1 1 30 30 PRO C C 13 177.77 0.20 . 1 . . . . . . . . 5185 1 385 . 1 1 30 30 PRO CA C 13 64.67 0.20 . 1 . . . . . . . . 5185 1 386 . 1 1 30 30 PRO CB C 13 31.91 0.20 . 1 . . . . . . . . 5185 1 387 . 1 1 30 30 PRO CG C 13 27.02 0.20 . 1 . . . . . . . . 5185 1 388 . 1 1 30 30 PRO CD C 13 50.51 0.20 . 1 . . . . . . . . 5185 1 389 . 1 1 31 31 ASP H H 1 8.48 0.02 . 1 . . . . . . . . 5185 1 390 . 1 1 31 31 ASP HA H 1 4.83 0.02 . 1 . . . . . . . . 5185 1 391 . 1 1 31 31 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 5185 1 392 . 1 1 31 31 ASP HB3 H 1 2.77 0.02 . 2 . . . . . . . . 5185 1 393 . 1 1 31 31 ASP C C 13 177.51 0.20 . 1 . . . . . . . . 5185 1 394 . 1 1 31 31 ASP CA C 13 54.44 0.20 . 1 . . . . . . . . 5185 1 395 . 1 1 31 31 ASP CB C 13 40.69 0.20 . 1 . . . . . . . . 5185 1 396 . 1 1 31 31 ASP N N 15 115.77 0.10 . 1 . . . . . . . . 5185 1 397 . 1 1 32 32 GLU H H 1 7.80 0.02 . 1 . . . . . . . . 5185 1 398 . 1 1 32 32 GLU HA H 1 4.88 0.02 . 1 . . . . . . . . 5185 1 399 . 1 1 32 32 GLU HB2 H 1 2.83 0.02 . 2 . . . . . . . . 5185 1 400 . 1 1 32 32 GLU HB3 H 1 2.34 0.02 . 2 . . . . . . . . 5185 1 401 . 1 1 32 32 GLU HG2 H 1 2.45 0.02 . 2 . . . . . . . . 5185 1 402 . 1 1 32 32 GLU HG3 H 1 2.38 0.02 . 2 . . . . . . . . 5185 1 403 . 1 1 32 32 GLU C C 13 176.37 0.20 . 1 . . . . . . . . 5185 1 404 . 1 1 32 32 GLU CA C 13 56.33 0.20 . 1 . . . . . . . . 5185 1 405 . 1 1 32 32 GLU CB C 13 28.69 0.20 . 1 . . . . . . . . 5185 1 406 . 1 1 32 32 GLU CG C 13 36.54 0.20 . 1 . . . . . . . . 5185 1 407 . 1 1 32 32 GLU N N 15 121.77 0.10 . 1 . . . . . . . . 5185 1 408 . 1 1 33 33 ILE H H 1 7.42 0.02 . 1 . . . . . . . . 5185 1 409 . 1 1 33 33 ILE HA H 1 4.36 0.02 . 1 . . . . . . . . 5185 1 410 . 1 1 33 33 ILE HB H 1 2.08 0.02 . 1 . . . . . . . . 5185 1 411 . 1 1 33 33 ILE HG12 H 1 1.35 0.02 . 2 . . . . . . . . 5185 1 412 . 1 1 33 33 ILE HG13 H 1 1.27 0.02 . 2 . . . . . . . . 5185 1 413 . 1 1 33 33 ILE HG21 H 1 0.97 0.02 . 1 . . . . . . . . 5185 1 414 . 1 1 33 33 ILE HG22 H 1 0.97 0.02 . 1 . . . . . . . . 5185 1 415 . 1 1 33 33 ILE HG23 H 1 0.97 0.02 . 1 . . . . . . . . 5185 1 416 . 1 1 33 33 ILE HD11 H 1 0.90 0.02 . 1 . . . . . . . . 5185 1 417 . 1 1 33 33 ILE HD12 H 1 0.90 0.02 . 1 . . . . . . . . 5185 1 418 . 1 1 33 33 ILE HD13 H 1 0.90 0.02 . 1 . . . . . . . . 5185 1 419 . 1 1 33 33 ILE C C 13 176.58 0.20 . 1 . . . . . . . . 5185 1 420 . 1 1 33 33 ILE CA C 13 62.09 0.20 . 1 . . . . . . . . 5185 1 421 . 1 1 33 33 ILE CB C 13 39.21 0.20 . 1 . . . . . . . . 5185 1 422 . 1 1 33 33 ILE CG1 C 13 26.95 0.20 . 1 . . . . . . . . 5185 1 423 . 1 1 33 33 ILE CG2 C 13 18.19 0.20 . 1 . . . . . . . . 5185 1 424 . 1 1 33 33 ILE CD1 C 13 14.39 0.20 . 1 . . . . . . . . 5185 1 425 . 1 1 33 33 ILE N N 15 114.85 0.10 . 1 . . . . . . . . 5185 1 426 . 1 1 34 34 GLU H H 1 8.46 0.02 . 1 . . . . . . . . 5185 1 427 . 1 1 34 34 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 5185 1 428 . 1 1 34 34 GLU HB2 H 1 1.77 0.02 . 1 . . . . . . . . 5185 1 429 . 1 1 34 34 GLU HB3 H 1 1.77 0.02 . 1 . . . . . . . . 5185 1 430 . 1 1 34 34 GLU HG2 H 1 2.03 0.02 . 2 . . . . . . . . 5185 1 431 . 1 1 34 34 GLU HG3 H 1 1.96 0.02 . 2 . . . . . . . . 5185 1 432 . 1 1 34 34 GLU C C 13 175.78 0.20 . 1 . . . . . . . . 5185 1 433 . 1 1 34 34 GLU CA C 13 57.50 0.20 . 1 . . . . . . . . 5185 1 434 . 1 1 34 34 GLU CB C 13 30.20 0.20 . 1 . . . . . . . . 5185 1 435 . 1 1 34 34 GLU CG C 13 36.75 0.20 . 1 . . . . . . . . 5185 1 436 . 1 1 34 34 GLU N N 15 120.57 0.10 . 1 . . . . . . . . 5185 1 437 . 1 1 35 35 TYR H H 1 7.67 0.02 . 1 . . . . . . . . 5185 1 438 . 1 1 35 35 TYR HA H 1 4.79 0.02 . 1 . . . . . . . . 5185 1 439 . 1 1 35 35 TYR HB2 H 1 2.35 0.02 . 1 . . . . . . . . 5185 1 440 . 1 1 35 35 TYR HB3 H 1 2.35 0.02 . 1 . . . . . . . . 5185 1 441 . 1 1 35 35 TYR HD1 H 1 7.03 0.02 . 1 . . . . . . . . 5185 1 442 . 1 1 35 35 TYR HD2 H 1 7.03 0.02 . 1 . . . . . . . . 5185 1 443 . 1 1 35 35 TYR HE1 H 1 6.89 0.02 . 1 . . . . . . . . 5185 1 444 . 1 1 35 35 TYR HE2 H 1 6.89 0.02 . 1 . . . . . . . . 5185 1 445 . 1 1 35 35 TYR C C 13 175.15 0.20 . 1 . . . . . . . . 5185 1 446 . 1 1 35 35 TYR CA C 13 57.07 0.20 . 1 . . . . . . . . 5185 1 447 . 1 1 35 35 TYR CB C 13 40.83 0.20 . 1 . . . . . . . . 5185 1 448 . 1 1 35 35 TYR CD1 C 13 133.28 0.20 . 1 . . . . . . . . 5185 1 449 . 1 1 35 35 TYR CD2 C 13 133.28 0.20 . 1 . . . . . . . . 5185 1 450 . 1 1 35 35 TYR CE1 C 13 118.19 0.20 . 1 . . . . . . . . 5185 1 451 . 1 1 35 35 TYR CE2 C 13 118.19 0.20 . 1 . . . . . . . . 5185 1 452 . 1 1 35 35 TYR N N 15 116.20 0.10 . 1 . . . . . . . . 5185 1 453 . 1 1 36 36 ILE H H 1 8.47 0.02 . 1 . . . . . . . . 5185 1 454 . 1 1 36 36 ILE HA H 1 4.28 0.02 . 1 . . . . . . . . 5185 1 455 . 1 1 36 36 ILE HB H 1 1.80 0.02 . 1 . . . . . . . . 5185 1 456 . 1 1 36 36 ILE HG12 H 1 1.56 0.02 . 2 . . . . . . . . 5185 1 457 . 1 1 36 36 ILE HG13 H 1 1.20 0.02 . 2 . . . . . . . . 5185 1 458 . 1 1 36 36 ILE HG21 H 1 0.99 0.02 . 1 . . . . . . . . 5185 1 459 . 1 1 36 36 ILE HG22 H 1 0.99 0.02 . 1 . . . . . . . . 5185 1 460 . 1 1 36 36 ILE HG23 H 1 0.99 0.02 . 1 . . . . . . . . 5185 1 461 . 1 1 36 36 ILE HD11 H 1 0.92 0.02 . 1 . . . . . . . . 5185 1 462 . 1 1 36 36 ILE HD12 H 1 0.92 0.02 . 1 . . . . . . . . 5185 1 463 . 1 1 36 36 ILE HD13 H 1 0.92 0.02 . 1 . . . . . . . . 5185 1 464 . 1 1 36 36 ILE C C 13 174.63 0.20 . 1 . . . . . . . . 5185 1 465 . 1 1 36 36 ILE CA C 13 60.50 0.20 . 1 . . . . . . . . 5185 1 466 . 1 1 36 36 ILE CB C 13 40.06 0.20 . 1 . . . . . . . . 5185 1 467 . 1 1 36 36 ILE CG1 C 13 27.54 0.20 . 1 . . . . . . . . 5185 1 468 . 1 1 36 36 ILE CG2 C 13 17.82 0.20 . 1 . . . . . . . . 5185 1 469 . 1 1 36 36 ILE CD1 C 13 13.74 0.20 . 1 . . . . . . . . 5185 1 470 . 1 1 36 36 ILE N N 15 118.24 0.10 . 1 . . . . . . . . 5185 1 471 . 1 1 37 37 PHE H H 1 8.16 0.02 . 1 . . . . . . . . 5185 1 472 . 1 1 37 37 PHE HA H 1 5.69 0.02 . 1 . . . . . . . . 5185 1 473 . 1 1 37 37 PHE HB2 H 1 3.09 0.02 . 1 . . . . . . . . 5185 1 474 . 1 1 37 37 PHE HB3 H 1 2.60 0.02 . 1 . . . . . . . . 5185 1 475 . 1 1 37 37 PHE HD1 H 1 7.11 0.02 . 1 . . . . . . . . 5185 1 476 . 1 1 37 37 PHE HD2 H 1 7.11 0.02 . 1 . . . . . . . . 5185 1 477 . 1 1 37 37 PHE HE1 H 1 7.14 0.02 . 1 . . . . . . . . 5185 1 478 . 1 1 37 37 PHE HE2 H 1 7.14 0.02 . 1 . . . . . . . . 5185 1 479 . 1 1 37 37 PHE HZ H 1 7.19 0.02 . 1 . . . . . . . . 5185 1 480 . 1 1 37 37 PHE C C 13 176.40 0.20 . 1 . . . . . . . . 5185 1 481 . 1 1 37 37 PHE CA C 13 56.45 0.20 . 1 . . . . . . . . 5185 1 482 . 1 1 37 37 PHE CB C 13 42.52 0.20 . 1 . . . . . . . . 5185 1 483 . 1 1 37 37 PHE CD1 C 13 131.71 0.20 . 1 . . . . . . . . 5185 1 484 . 1 1 37 37 PHE CD2 C 13 131.71 0.20 . 1 . . . . . . . . 5185 1 485 . 1 1 37 37 PHE CE1 C 13 130.78 0.20 . 1 . . . . . . . . 5185 1 486 . 1 1 37 37 PHE CE2 C 13 130.78 0.20 . 1 . . . . . . . . 5185 1 487 . 1 1 37 37 PHE CZ C 13 128.67 0.20 . 1 . . . . . . . . 5185 1 488 . 1 1 37 37 PHE N N 15 123.45 0.10 . 1 . . . . . . . . 5185 1 489 . 1 1 38 38 LYS H H 1 8.99 0.02 . 1 . . . . . . . . 5185 1 490 . 1 1 38 38 LYS HA H 1 4.78 0.02 . 1 . . . . . . . . 5185 1 491 . 1 1 38 38 LYS HB2 H 1 2.09 0.02 . 2 . . . . . . . . 5185 1 492 . 1 1 38 38 LYS HB3 H 1 1.96 0.02 . 2 . . . . . . . . 5185 1 493 . 1 1 38 38 LYS HG2 H 1 1.61 0.02 . 2 . . . . . . . . 5185 1 494 . 1 1 38 38 LYS HG3 H 1 1.52 0.02 . 2 . . . . . . . . 5185 1 495 . 1 1 38 38 LYS HD2 H 1 2.10 0.02 . 2 . . . . . . . . 5185 1 496 . 1 1 38 38 LYS HD3 H 1 1.91 0.02 . 2 . . . . . . . . 5185 1 497 . 1 1 38 38 LYS HE2 H 1 3.15 0.02 . 2 . . . . . . . . 5185 1 498 . 1 1 38 38 LYS HE3 H 1 2.89 0.02 . 2 . . . . . . . . 5185 1 499 . 1 1 38 38 LYS C C 13 175.27 0.20 . 1 . . . . . . . . 5185 1 500 . 1 1 38 38 LYS CA C 13 53.89 0.20 . 1 . . . . . . . . 5185 1 501 . 1 1 38 38 LYS CB C 13 36.21 0.20 . 1 . . . . . . . . 5185 1 502 . 1 1 38 38 LYS CG C 13 25.46 0.20 . 1 . . . . . . . . 5185 1 503 . 1 1 38 38 LYS CD C 13 28.99 0.20 . 1 . . . . . . . . 5185 1 504 . 1 1 38 38 LYS CE C 13 42.45 0.20 . 1 . . . . . . . . 5185 1 505 . 1 1 38 38 LYS N N 15 119.74 0.10 . 1 . . . . . . . . 5185 1 506 . 1 1 39 39 PRO HA H 1 5.24 0.02 . 1 . . . . . . . . 5185 1 507 . 1 1 39 39 PRO HB2 H 1 2.76 0.02 . 1 . . . . . . . . 5185 1 508 . 1 1 39 39 PRO HB3 H 1 2.76 0.02 . 1 . . . . . . . . 5185 1 509 . 1 1 39 39 PRO HG2 H 1 2.05 0.02 . 2 . . . . . . . . 5185 1 510 . 1 1 39 39 PRO HG3 H 1 1.81 0.02 . 2 . . . . . . . . 5185 1 511 . 1 1 39 39 PRO HD2 H 1 4.16 0.02 . 2 . . . . . . . . 5185 1 512 . 1 1 39 39 PRO HD3 H 1 3.29 0.02 . 2 . . . . . . . . 5185 1 513 . 1 1 39 39 PRO C C 13 174.13 0.20 . 1 . . . . . . . . 5185 1 514 . 1 1 39 39 PRO CA C 13 63.69 0.20 . 1 . . . . . . . . 5185 1 515 . 1 1 39 39 PRO CB C 13 36.05 0.20 . 1 . . . . . . . . 5185 1 516 . 1 1 39 39 PRO CG C 13 25.55 0.20 . 1 . . . . . . . . 5185 1 517 . 1 1 39 39 PRO CD C 13 49.17 0.20 . 1 . . . . . . . . 5185 1 518 . 1 1 40 40 SER H H 1 8.28 0.02 . 1 . . . . . . . . 5185 1 519 . 1 1 40 40 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 5185 1 520 . 1 1 40 40 SER HB2 H 1 4.36 0.02 . 2 . . . . . . . . 5185 1 521 . 1 1 40 40 SER HB3 H 1 4.08 0.02 . 2 . . . . . . . . 5185 1 522 . 1 1 40 40 SER C C 13 173.13 0.20 . 1 . . . . . . . . 5185 1 523 . 1 1 40 40 SER CA C 13 58.97 0.20 . 1 . . . . . . . . 5185 1 524 . 1 1 40 40 SER CB C 13 63.77 0.20 . 1 . . . . . . . . 5185 1 525 . 1 1 40 40 SER N N 15 108.19 0.10 . 1 . . . . . . . . 5185 1 526 . 1 1 41 41 CYS H H 1 8.14 0.02 . 1 . . . . . . . . 5185 1 527 . 1 1 41 41 CYS HA H 1 5.68 0.02 . 1 . . . . . . . . 5185 1 528 . 1 1 41 41 CYS HB2 H 1 3.49 0.02 . 1 . . . . . . . . 5185 1 529 . 1 1 41 41 CYS HB3 H 1 2.26 0.02 . 1 . . . . . . . . 5185 1 530 . 1 1 41 41 CYS C C 13 170.78 0.20 . 1 . . . . . . . . 5185 1 531 . 1 1 41 41 CYS CA C 13 55.80 0.20 . 1 . . . . . . . . 5185 1 532 . 1 1 41 41 CYS CB C 13 39.31 0.20 . 1 . . . . . . . . 5185 1 533 . 1 1 41 41 CYS N N 15 123.68 0.10 . 1 . . . . . . . . 5185 1 534 . 1 1 42 42 VAL H H 1 8.47 0.02 . 1 . . . . . . . . 5185 1 535 . 1 1 42 42 VAL HA H 1 4.83 0.02 . 1 . . . . . . . . 5185 1 536 . 1 1 42 42 VAL HB H 1 1.42 0.02 . 1 . . . . . . . . 5185 1 537 . 1 1 42 42 VAL HG11 H 1 0.44 0.02 . 1 . . . . . . . . 5185 1 538 . 1 1 42 42 VAL HG12 H 1 0.44 0.02 . 1 . . . . . . . . 5185 1 539 . 1 1 42 42 VAL HG13 H 1 0.44 0.02 . 1 . . . . . . . . 5185 1 540 . 1 1 42 42 VAL HG21 H 1 -0.11 0.02 . 1 . . . . . . . . 5185 1 541 . 1 1 42 42 VAL HG22 H 1 -0.11 0.02 . 1 . . . . . . . . 5185 1 542 . 1 1 42 42 VAL HG23 H 1 -0.11 0.02 . 1 . . . . . . . . 5185 1 543 . 1 1 42 42 VAL C C 13 172.74 0.20 . 1 . . . . . . . . 5185 1 544 . 1 1 42 42 VAL CA C 13 56.80 0.20 . 1 . . . . . . . . 5185 1 545 . 1 1 42 42 VAL CB C 13 34.11 0.20 . 1 . . . . . . . . 5185 1 546 . 1 1 42 42 VAL CG1 C 13 23.32 0.20 . 1 . . . . . . . . 5185 1 547 . 1 1 42 42 VAL CG2 C 13 16.21 0.20 . 1 . . . . . . . . 5185 1 548 . 1 1 42 42 VAL N N 15 110.01 0.10 . 1 . . . . . . . . 5185 1 549 . 1 1 43 43 PRO HA H 1 4.97 0.02 . 1 . . . . . . . . 5185 1 550 . 1 1 43 43 PRO HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5185 1 551 . 1 1 43 43 PRO HB3 H 1 1.61 0.02 . 2 . . . . . . . . 5185 1 552 . 1 1 43 43 PRO HG2 H 1 2.26 0.02 . 2 . . . . . . . . 5185 1 553 . 1 1 43 43 PRO HG3 H 1 1.64 0.02 . 2 . . . . . . . . 5185 1 554 . 1 1 43 43 PRO HD2 H 1 3.55 0.02 . 2 . . . . . . . . 5185 1 555 . 1 1 43 43 PRO HD3 H 1 3.42 0.02 . 2 . . . . . . . . 5185 1 556 . 1 1 43 43 PRO C C 13 175.26 0.20 . 1 . . . . . . . . 5185 1 557 . 1 1 43 43 PRO CA C 13 60.79 0.20 . 1 . . . . . . . . 5185 1 558 . 1 1 43 43 PRO CB C 13 30.31 0.20 . 1 . . . . . . . . 5185 1 559 . 1 1 43 43 PRO CG C 13 26.77 0.20 . 1 . . . . . . . . 5185 1 560 . 1 1 43 43 PRO CD C 13 49.60 0.20 . 1 . . . . . . . . 5185 1 561 . 1 1 44 44 LEU H H 1 9.00 0.02 . 1 . . . . . . . . 5185 1 562 . 1 1 44 44 LEU HA H 1 4.74 0.02 . 1 . . . . . . . . 5185 1 563 . 1 1 44 44 LEU HB2 H 1 1.34 0.02 . 1 . . . . . . . . 5185 1 564 . 1 1 44 44 LEU HB3 H 1 1.19 0.02 . 1 . . . . . . . . 5185 1 565 . 1 1 44 44 LEU HG H 1 1.17 0.02 . 1 . . . . . . . . 5185 1 566 . 1 1 44 44 LEU HD11 H 1 0.60 0.02 . 2 . . . . . . . . 5185 1 567 . 1 1 44 44 LEU HD12 H 1 0.60 0.02 . 2 . . . . . . . . 5185 1 568 . 1 1 44 44 LEU HD13 H 1 0.60 0.02 . 2 . . . . . . . . 5185 1 569 . 1 1 44 44 LEU HD21 H 1 0.58 0.02 . 2 . . . . . . . . 5185 1 570 . 1 1 44 44 LEU HD22 H 1 0.58 0.02 . 2 . . . . . . . . 5185 1 571 . 1 1 44 44 LEU HD23 H 1 0.58 0.02 . 2 . . . . . . . . 5185 1 572 . 1 1 44 44 LEU C C 13 176.44 0.20 . 1 . . . . . . . . 5185 1 573 . 1 1 44 44 LEU CA C 13 52.52 0.20 . 1 . . . . . . . . 5185 1 574 . 1 1 44 44 LEU CB C 13 47.02 0.20 . 1 . . . . . . . . 5185 1 575 . 1 1 44 44 LEU CG C 13 26.40 0.20 . 1 . . . . . . . . 5185 1 576 . 1 1 44 44 LEU CD1 C 13 25.32 0.20 . 2 . . . . . . . . 5185 1 577 . 1 1 44 44 LEU CD2 C 13 23.67 0.20 . 2 . . . . . . . . 5185 1 578 . 1 1 44 44 LEU N N 15 124.35 0.10 . 1 . . . . . . . . 5185 1 579 . 1 1 45 45 MET H H 1 8.63 0.02 . 1 . . . . . . . . 5185 1 580 . 1 1 45 45 MET HA H 1 4.78 0.02 . 1 . . . . . . . . 5185 1 581 . 1 1 45 45 MET HB2 H 1 2.57 0.02 . 2 . . . . . . . . 5185 1 582 . 1 1 45 45 MET HB3 H 1 2.66 0.02 . 2 . . . . . . . . 5185 1 583 . 1 1 45 45 MET HG2 H 1 1.78 0.02 . 1 . . . . . . . . 5185 1 584 . 1 1 45 45 MET HG3 H 1 1.78 0.02 . 1 . . . . . . . . 5185 1 585 . 1 1 45 45 MET HE1 H 1 1.93 0.02 . 1 . . . . . . . . 5185 1 586 . 1 1 45 45 MET HE2 H 1 1.93 0.02 . 1 . . . . . . . . 5185 1 587 . 1 1 45 45 MET HE3 H 1 1.93 0.02 . 1 . . . . . . . . 5185 1 588 . 1 1 45 45 MET C C 13 176.61 0.20 . 1 . . . . . . . . 5185 1 589 . 1 1 45 45 MET CA C 13 53.79 0.20 . 1 . . . . . . . . 5185 1 590 . 1 1 45 45 MET CB C 13 31.38 0.20 . 1 . . . . . . . . 5185 1 591 . 1 1 45 45 MET CG C 13 30.96 0.20 . 1 . . . . . . . . 5185 1 592 . 1 1 45 45 MET CE C 13 16.09 0.20 . 1 . . . . . . . . 5185 1 593 . 1 1 45 45 MET N N 15 121.13 0.10 . 1 . . . . . . . . 5185 1 594 . 1 1 46 46 ARG H H 1 8.65 0.02 . 1 . . . . . . . . 5185 1 595 . 1 1 46 46 ARG HA H 1 4.58 0.02 . 1 . . . . . . . . 5185 1 596 . 1 1 46 46 ARG HB2 H 1 1.75 0.02 . 1 . . . . . . . . 5185 1 597 . 1 1 46 46 ARG HB3 H 1 1.75 0.02 . 1 . . . . . . . . 5185 1 598 . 1 1 46 46 ARG HG2 H 1 1.45 0.02 . 2 . . . . . . . . 5185 1 599 . 1 1 46 46 ARG HG3 H 1 1.00 0.02 . 2 . . . . . . . . 5185 1 600 . 1 1 46 46 ARG HD2 H 1 2.60 0.02 . 2 . . . . . . . . 5185 1 601 . 1 1 46 46 ARG HD3 H 1 2.19 0.02 . 2 . . . . . . . . 5185 1 602 . 1 1 46 46 ARG C C 13 176.05 0.20 . 1 . . . . . . . . 5185 1 603 . 1 1 46 46 ARG CA C 13 51.98 0.20 . 1 . . . . . . . . 5185 1 604 . 1 1 46 46 ARG CB C 13 34.68 0.20 . 1 . . . . . . . . 5185 1 605 . 1 1 46 46 ARG CG C 13 26.91 0.20 . 1 . . . . . . . . 5185 1 606 . 1 1 46 46 ARG CD C 13 41.40 0.20 . 1 . . . . . . . . 5185 1 607 . 1 1 46 46 ARG N N 15 125.39 0.10 . 1 . . . . . . . . 5185 1 608 . 1 1 47 47 CYS H H 1 12.12 0.02 . 1 . . . . . . . . 5185 1 609 . 1 1 47 47 CYS HA H 1 4.34 0.02 . 1 . . . . . . . . 5185 1 610 . 1 1 47 47 CYS HB2 H 1 2.79 0.02 . 1 . . . . . . . . 5185 1 611 . 1 1 47 47 CYS HB3 H 1 2.79 0.02 . 1 . . . . . . . . 5185 1 612 . 1 1 47 47 CYS C C 13 175.09 0.20 . 1 . . . . . . . . 5185 1 613 . 1 1 47 47 CYS CA C 13 57.18 0.20 . 1 . . . . . . . . 5185 1 614 . 1 1 47 47 CYS CB C 13 39.52 0.20 . 1 . . . . . . . . 5185 1 615 . 1 1 47 47 CYS N N 15 125.87 0.10 . 1 . . . . . . . . 5185 1 616 . 1 1 48 48 GLY H H 1 8.41 0.02 . 1 . . . . . . . . 5185 1 617 . 1 1 48 48 GLY HA2 H 1 3.67 0.02 . 2 . . . . . . . . 5185 1 618 . 1 1 48 48 GLY HA3 H 1 4.33 0.02 . 2 . . . . . . . . 5185 1 619 . 1 1 48 48 GLY C C 13 170.24 0.20 . 1 . . . . . . . . 5185 1 620 . 1 1 48 48 GLY CA C 13 44.46 0.20 . 1 . . . . . . . . 5185 1 621 . 1 1 48 48 GLY N N 15 111.95 0.10 . 1 . . . . . . . . 5185 1 622 . 1 1 49 49 GLY H H 1 8.25 0.02 . 1 . . . . . . . . 5185 1 623 . 1 1 49 49 GLY HA2 H 1 3.48 0.02 . 2 . . . . . . . . 5185 1 624 . 1 1 49 49 GLY HA3 H 1 4.63 0.02 . 2 . . . . . . . . 5185 1 625 . 1 1 49 49 GLY C C 13 173.71 0.20 . 1 . . . . . . . . 5185 1 626 . 1 1 49 49 GLY CA C 13 44.62 0.20 . 1 . . . . . . . . 5185 1 627 . 1 1 49 49 GLY N N 15 104.01 0.10 . 1 . . . . . . . . 5185 1 628 . 1 1 50 50 CYS H H 1 8.08 0.02 . 1 . . . . . . . . 5185 1 629 . 1 1 50 50 CYS HA H 1 5.24 0.02 . 1 . . . . . . . . 5185 1 630 . 1 1 50 50 CYS HB2 H 1 3.38 0.02 . 1 . . . . . . . . 5185 1 631 . 1 1 50 50 CYS HB3 H 1 3.38 0.02 . 1 . . . . . . . . 5185 1 632 . 1 1 50 50 CYS C C 13 174.66 0.20 . 1 . . . . . . . . 5185 1 633 . 1 1 50 50 CYS CA C 13 52.48 0.20 . 1 . . . . . . . . 5185 1 634 . 1 1 50 50 CYS CB C 13 43.56 0.20 . 1 . . . . . . . . 5185 1 635 . 1 1 50 50 CYS N N 15 111.52 0.10 . 1 . . . . . . . . 5185 1 636 . 1 1 51 51 CYS H H 1 8.08 0.02 . 1 . . . . . . . . 5185 1 637 . 1 1 51 51 CYS HA H 1 4.54 0.02 . 1 . . . . . . . . 5185 1 638 . 1 1 51 51 CYS HB2 H 1 3.40 0.02 . 1 . . . . . . . . 5185 1 639 . 1 1 51 51 CYS HB3 H 1 2.73 0.02 . 1 . . . . . . . . 5185 1 640 . 1 1 51 51 CYS C C 13 174.51 0.20 . 1 . . . . . . . . 5185 1 641 . 1 1 51 51 CYS CA C 13 54.13 0.20 . 1 . . . . . . . . 5185 1 642 . 1 1 51 51 CYS CB C 13 45.06 0.20 . 1 . . . . . . . . 5185 1 643 . 1 1 51 51 CYS N N 15 117.91 0.10 . 1 . . . . . . . . 5185 1 644 . 1 1 52 52 ASN HA H 1 4.61 0.02 . 1 . . . . . . . . 5185 1 645 . 1 1 52 52 ASN HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5185 1 646 . 1 1 52 52 ASN HB3 H 1 2.31 0.02 . 2 . . . . . . . . 5185 1 647 . 1 1 52 52 ASN HD21 H 1 6.77 0.02 . 1 . . . . . . . . 5185 1 648 . 1 1 52 52 ASN HD22 H 1 6.17 0.02 . 1 . . . . . . . . 5185 1 649 . 1 1 52 52 ASN C C 13 172.98 0.20 . 1 . . . . . . . . 5185 1 650 . 1 1 52 52 ASN CA C 13 55.44 0.20 . 1 . . . . . . . . 5185 1 651 . 1 1 52 52 ASN CB C 13 38.04 0.20 . 1 . . . . . . . . 5185 1 652 . 1 1 52 52 ASN ND2 N 15 115.32 0.10 . 1 . . . . . . . . 5185 1 653 . 1 1 53 53 ASP H H 1 6.83 0.02 . 1 . . . . . . . . 5185 1 654 . 1 1 53 53 ASP HA H 1 4.83 0.02 . 1 . . . . . . . . 5185 1 655 . 1 1 53 53 ASP HB2 H 1 2.56 0.02 . 1 . . . . . . . . 5185 1 656 . 1 1 53 53 ASP HB3 H 1 2.30 0.02 . 1 . . . . . . . . 5185 1 657 . 1 1 53 53 ASP C C 13 175.53 0.20 . 1 . . . . . . . . 5185 1 658 . 1 1 53 53 ASP CA C 13 53.05 0.20 . 1 . . . . . . . . 5185 1 659 . 1 1 53 53 ASP CB C 13 47.18 0.20 . 1 . . . . . . . . 5185 1 660 . 1 1 53 53 ASP N N 15 114.00 0.10 . 1 . . . . . . . . 5185 1 661 . 1 1 54 54 GLU H H 1 8.79 0.02 . 1 . . . . . . . . 5185 1 662 . 1 1 54 54 GLU HA H 1 4.28 0.02 . 1 . . . . . . . . 5185 1 663 . 1 1 54 54 GLU HB2 H 1 2.17 0.02 . 1 . . . . . . . . 5185 1 664 . 1 1 54 54 GLU HB3 H 1 2.17 0.02 . 1 . . . . . . . . 5185 1 665 . 1 1 54 54 GLU HG2 H 1 2.41 0.02 . 2 . . . . . . . . 5185 1 666 . 1 1 54 54 GLU HG3 H 1 2.37 0.02 . 2 . . . . . . . . 5185 1 667 . 1 1 54 54 GLU C C 13 176.22 0.20 . 1 . . . . . . . . 5185 1 668 . 1 1 54 54 GLU CA C 13 58.33 0.20 . 1 . . . . . . . . 5185 1 669 . 1 1 54 54 GLU CB C 13 29.39 0.20 . 1 . . . . . . . . 5185 1 670 . 1 1 54 54 GLU CG C 13 36.26 0.20 . 1 . . . . . . . . 5185 1 671 . 1 1 54 54 GLU N N 15 123.92 0.10 . 1 . . . . . . . . 5185 1 672 . 1 1 55 55 GLY H H 1 9.12 0.02 . 1 . . . . . . . . 5185 1 673 . 1 1 55 55 GLY HA2 H 1 3.76 0.02 . 2 . . . . . . . . 5185 1 674 . 1 1 55 55 GLY HA3 H 1 4.18 0.02 . 2 . . . . . . . . 5185 1 675 . 1 1 55 55 GLY C C 13 173.45 0.20 . 1 . . . . . . . . 5185 1 676 . 1 1 55 55 GLY CA C 13 45.07 0.20 . 1 . . . . . . . . 5185 1 677 . 1 1 55 55 GLY N N 15 107.96 0.10 . 1 . . . . . . . . 5185 1 678 . 1 1 56 56 LEU H H 1 7.57 0.02 . 1 . . . . . . . . 5185 1 679 . 1 1 56 56 LEU HA H 1 4.95 0.02 . 1 . . . . . . . . 5185 1 680 . 1 1 56 56 LEU HB2 H 1 1.79 0.02 . 1 . . . . . . . . 5185 1 681 . 1 1 56 56 LEU HB3 H 1 1.26 0.02 . 1 . . . . . . . . 5185 1 682 . 1 1 56 56 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 5185 1 683 . 1 1 56 56 LEU HD11 H 1 0.89 0.02 . 1 . . . . . . . . 5185 1 684 . 1 1 56 56 LEU HD12 H 1 0.89 0.02 . 1 . . . . . . . . 5185 1 685 . 1 1 56 56 LEU HD13 H 1 0.89 0.02 . 1 . . . . . . . . 5185 1 686 . 1 1 56 56 LEU HD21 H 1 0.67 0.02 . 1 . . . . . . . . 5185 1 687 . 1 1 56 56 LEU HD22 H 1 0.67 0.02 . 1 . . . . . . . . 5185 1 688 . 1 1 56 56 LEU HD23 H 1 0.67 0.02 . 1 . . . . . . . . 5185 1 689 . 1 1 56 56 LEU C C 13 174.48 0.20 . 1 . . . . . . . . 5185 1 690 . 1 1 56 56 LEU CA C 13 53.18 0.20 . 1 . . . . . . . . 5185 1 691 . 1 1 56 56 LEU CB C 13 44.36 0.20 . 1 . . . . . . . . 5185 1 692 . 1 1 56 56 LEU CG C 13 27.56 0.20 . 1 . . . . . . . . 5185 1 693 . 1 1 56 56 LEU CD1 C 13 27.63 0.20 . 1 . . . . . . . . 5185 1 694 . 1 1 56 56 LEU CD2 C 13 23.32 0.20 . 1 . . . . . . . . 5185 1 695 . 1 1 56 56 LEU N N 15 120.67 0.10 . 1 . . . . . . . . 5185 1 696 . 1 1 57 57 GLU H H 1 9.24 0.02 . 1 . . . . . . . . 5185 1 697 . 1 1 57 57 GLU HA H 1 4.67 0.02 . 1 . . . . . . . . 5185 1 698 . 1 1 57 57 GLU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5185 1 699 . 1 1 57 57 GLU HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5185 1 700 . 1 1 57 57 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 5185 1 701 . 1 1 57 57 GLU HG3 H 1 2.15 0.02 . 2 . . . . . . . . 5185 1 702 . 1 1 57 57 GLU C C 13 173.94 0.20 . 1 . . . . . . . . 5185 1 703 . 1 1 57 57 GLU CA C 13 53.19 0.20 . 1 . . . . . . . . 5185 1 704 . 1 1 57 57 GLU CB C 13 32.81 0.20 . 1 . . . . . . . . 5185 1 705 . 1 1 57 57 GLU CG C 13 34.71 0.20 . 1 . . . . . . . . 5185 1 706 . 1 1 57 57 GLU N N 15 118.67 0.10 . 1 . . . . . . . . 5185 1 707 . 1 1 58 58 CYS H H 1 8.60 0.02 . 1 . . . . . . . . 5185 1 708 . 1 1 58 58 CYS HA H 1 4.81 0.02 . 1 . . . . . . . . 5185 1 709 . 1 1 58 58 CYS HB2 H 1 2.75 0.02 . 1 . . . . . . . . 5185 1 710 . 1 1 58 58 CYS HB3 H 1 2.49 0.02 . 1 . . . . . . . . 5185 1 711 . 1 1 58 58 CYS C C 13 173.88 0.20 . 1 . . . . . . . . 5185 1 712 . 1 1 58 58 CYS CA C 13 54.48 0.20 . 1 . . . . . . . . 5185 1 713 . 1 1 58 58 CYS CB C 13 35.76 0.20 . 1 . . . . . . . . 5185 1 714 . 1 1 58 58 CYS N N 15 122.77 0.10 . 1 . . . . . . . . 5185 1 715 . 1 1 59 59 VAL H H 1 8.94 0.02 . 1 . . . . . . . . 5185 1 716 . 1 1 59 59 VAL HA H 1 4.87 0.02 . 1 . . . . . . . . 5185 1 717 . 1 1 59 59 VAL HB H 1 2.17 0.02 . 1 . . . . . . . . 5185 1 718 . 1 1 59 59 VAL HG11 H 1 0.85 0.02 . 2 . . . . . . . . 5185 1 719 . 1 1 59 59 VAL HG12 H 1 0.85 0.02 . 2 . . . . . . . . 5185 1 720 . 1 1 59 59 VAL HG13 H 1 0.85 0.02 . 2 . . . . . . . . 5185 1 721 . 1 1 59 59 VAL HG21 H 1 0.84 0.02 . 2 . . . . . . . . 5185 1 722 . 1 1 59 59 VAL HG22 H 1 0.84 0.02 . 2 . . . . . . . . 5185 1 723 . 1 1 59 59 VAL HG23 H 1 0.84 0.02 . 2 . . . . . . . . 5185 1 724 . 1 1 59 59 VAL C C 13 172.65 0.20 . 1 . . . . . . . . 5185 1 725 . 1 1 59 59 VAL CA C 13 57.70 0.20 . 1 . . . . . . . . 5185 1 726 . 1 1 59 59 VAL CB C 13 34.08 0.20 . 1 . . . . . . . . 5185 1 727 . 1 1 59 59 VAL CG1 C 13 21.83 0.20 . 2 . . . . . . . . 5185 1 728 . 1 1 59 59 VAL CG2 C 13 18.33 0.20 . 2 . . . . . . . . 5185 1 729 . 1 1 59 59 VAL N N 15 123.99 0.10 . 1 . . . . . . . . 5185 1 730 . 1 1 60 60 PRO HA H 1 5.10 0.02 . 1 . . . . . . . . 5185 1 731 . 1 1 60 60 PRO HB2 H 1 1.49 0.02 . 2 . . . . . . . . 5185 1 732 . 1 1 60 60 PRO HB3 H 1 1.10 0.02 . 2 . . . . . . . . 5185 1 733 . 1 1 60 60 PRO HG2 H 1 1.84 0.02 . 1 . . . . . . . . 5185 1 734 . 1 1 60 60 PRO HG3 H 1 1.84 0.02 . 1 . . . . . . . . 5185 1 735 . 1 1 60 60 PRO HD2 H 1 3.68 0.02 . 2 . . . . . . . . 5185 1 736 . 1 1 60 60 PRO HD3 H 1 3.28 0.02 . 2 . . . . . . . . 5185 1 737 . 1 1 60 60 PRO C C 13 178.25 0.20 . 1 . . . . . . . . 5185 1 738 . 1 1 60 60 PRO CA C 13 62.15 0.20 . 1 . . . . . . . . 5185 1 739 . 1 1 60 60 PRO CB C 13 31.68 0.20 . 1 . . . . . . . . 5185 1 740 . 1 1 60 60 PRO CG C 13 27.15 0.20 . 1 . . . . . . . . 5185 1 741 . 1 1 60 60 PRO CD C 13 50.45 0.20 . 1 . . . . . . . . 5185 1 742 . 1 1 61 61 THR H H 1 8.45 0.02 . 1 . . . . . . . . 5185 1 743 . 1 1 61 61 THR HA H 1 4.42 0.02 . 1 . . . . . . . . 5185 1 744 . 1 1 61 61 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 5185 1 745 . 1 1 61 61 THR HG21 H 1 0.98 0.02 . 1 . . . . . . . . 5185 1 746 . 1 1 61 61 THR HG22 H 1 0.98 0.02 . 1 . . . . . . . . 5185 1 747 . 1 1 61 61 THR HG23 H 1 0.98 0.02 . 1 . . . . . . . . 5185 1 748 . 1 1 61 61 THR C C 13 175.15 0.20 . 1 . . . . . . . . 5185 1 749 . 1 1 61 61 THR CA C 13 60.81 0.20 . 1 . . . . . . . . 5185 1 750 . 1 1 61 61 THR CB C 13 68.64 0.20 . 1 . . . . . . . . 5185 1 751 . 1 1 61 61 THR CG2 C 13 22.89 0.20 . 1 . . . . . . . . 5185 1 752 . 1 1 61 61 THR N N 15 110.69 0.10 . 1 . . . . . . . . 5185 1 753 . 1 1 62 62 GLU H H 1 7.20 0.02 . 1 . . . . . . . . 5185 1 754 . 1 1 62 62 GLU HA H 1 4.61 0.02 . 1 . . . . . . . . 5185 1 755 . 1 1 62 62 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5185 1 756 . 1 1 62 62 GLU HB3 H 1 1.92 0.02 . 2 . . . . . . . . 5185 1 757 . 1 1 62 62 GLU HG2 H 1 2.37 0.02 . 2 . . . . . . . . 5185 1 758 . 1 1 62 62 GLU HG3 H 1 2.23 0.02 . 2 . . . . . . . . 5185 1 759 . 1 1 62 62 GLU C C 13 174.97 0.20 . 1 . . . . . . . . 5185 1 760 . 1 1 62 62 GLU CA C 13 56.77 0.20 . 1 . . . . . . . . 5185 1 761 . 1 1 62 62 GLU CB C 13 34.03 0.20 . 1 . . . . . . . . 5185 1 762 . 1 1 62 62 GLU CG C 13 36.59 0.20 . 1 . . . . . . . . 5185 1 763 . 1 1 62 62 GLU N N 15 120.77 0.10 . 1 . . . . . . . . 5185 1 764 . 1 1 63 63 GLU H H 1 8.82 0.02 . 1 . . . . . . . . 5185 1 765 . 1 1 63 63 GLU HA H 1 5.50 0.02 . 1 . . . . . . . . 5185 1 766 . 1 1 63 63 GLU HB2 H 1 2.31 0.02 . 2 . . . . . . . . 5185 1 767 . 1 1 63 63 GLU HB3 H 1 2.12 0.02 . 2 . . . . . . . . 5185 1 768 . 1 1 63 63 GLU HG2 H 1 2.24 0.02 . 2 . . . . . . . . 5185 1 769 . 1 1 63 63 GLU HG3 H 1 2.11 0.02 . 2 . . . . . . . . 5185 1 770 . 1 1 63 63 GLU C C 13 174.84 0.20 . 1 . . . . . . . . 5185 1 771 . 1 1 63 63 GLU CA C 13 54.88 0.20 . 1 . . . . . . . . 5185 1 772 . 1 1 63 63 GLU CB C 13 33.84 0.20 . 1 . . . . . . . . 5185 1 773 . 1 1 63 63 GLU CG C 13 36.20 0.20 . 1 . . . . . . . . 5185 1 774 . 1 1 63 63 GLU N N 15 125.71 0.10 . 1 . . . . . . . . 5185 1 775 . 1 1 64 64 SER H H 1 8.83 0.02 . 1 . . . . . . . . 5185 1 776 . 1 1 64 64 SER HA H 1 4.75 0.02 . 1 . . . . . . . . 5185 1 777 . 1 1 64 64 SER HB2 H 1 4.01 0.02 . 1 . . . . . . . . 5185 1 778 . 1 1 64 64 SER HB3 H 1 4.01 0.02 . 1 . . . . . . . . 5185 1 779 . 1 1 64 64 SER C C 13 172.47 0.20 . 1 . . . . . . . . 5185 1 780 . 1 1 64 64 SER CA C 13 57.76 0.20 . 1 . . . . . . . . 5185 1 781 . 1 1 64 64 SER CB C 13 64.95 0.20 . 1 . . . . . . . . 5185 1 782 . 1 1 64 64 SER N N 15 113.42 0.10 . 1 . . . . . . . . 5185 1 783 . 1 1 65 65 ASN H H 1 8.53 0.02 . 1 . . . . . . . . 5185 1 784 . 1 1 65 65 ASN HA H 1 5.82 0.02 . 1 . . . . . . . . 5185 1 785 . 1 1 65 65 ASN HB2 H 1 2.61 0.02 . 1 . . . . . . . . 5185 1 786 . 1 1 65 65 ASN HB3 H 1 2.61 0.02 . 1 . . . . . . . . 5185 1 787 . 1 1 65 65 ASN HD21 H 1 7.06 0.02 . 1 . . . . . . . . 5185 1 788 . 1 1 65 65 ASN HD22 H 1 6.65 0.02 . 1 . . . . . . . . 5185 1 789 . 1 1 65 65 ASN C C 13 174.83 0.20 . 1 . . . . . . . . 5185 1 790 . 1 1 65 65 ASN CA C 13 52.69 0.20 . 1 . . . . . . . . 5185 1 791 . 1 1 65 65 ASN CB C 13 41.53 0.20 . 1 . . . . . . . . 5185 1 792 . 1 1 65 65 ASN N N 15 117.80 0.10 . 1 . . . . . . . . 5185 1 793 . 1 1 65 65 ASN ND2 N 15 110.94 0.10 . 1 . . . . . . . . 5185 1 794 . 1 1 66 66 ILE H H 1 9.36 0.02 . 1 . . . . . . . . 5185 1 795 . 1 1 66 66 ILE HA H 1 4.74 0.02 . 1 . . . . . . . . 5185 1 796 . 1 1 66 66 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 5185 1 797 . 1 1 66 66 ILE HG12 H 1 1.64 0.02 . 2 . . . . . . . . 5185 1 798 . 1 1 66 66 ILE HG13 H 1 1.14 0.02 . 2 . . . . . . . . 5185 1 799 . 1 1 66 66 ILE HG21 H 1 0.93 0.02 . 1 . . . . . . . . 5185 1 800 . 1 1 66 66 ILE HG22 H 1 0.93 0.02 . 1 . . . . . . . . 5185 1 801 . 1 1 66 66 ILE HG23 H 1 0.93 0.02 . 1 . . . . . . . . 5185 1 802 . 1 1 66 66 ILE HD11 H 1 0.94 0.02 . 1 . . . . . . . . 5185 1 803 . 1 1 66 66 ILE HD12 H 1 0.94 0.02 . 1 . . . . . . . . 5185 1 804 . 1 1 66 66 ILE HD13 H 1 0.94 0.02 . 1 . . . . . . . . 5185 1 805 . 1 1 66 66 ILE C C 13 172.77 0.20 . 1 . . . . . . . . 5185 1 806 . 1 1 66 66 ILE CA C 13 59.28 0.20 . 1 . . . . . . . . 5185 1 807 . 1 1 66 66 ILE CB C 13 42.38 0.20 . 1 . . . . . . . . 5185 1 808 . 1 1 66 66 ILE CG1 C 13 29.16 0.20 . 1 . . . . . . . . 5185 1 809 . 1 1 66 66 ILE CG2 C 13 14.42 0.20 . 1 . . . . . . . . 5185 1 810 . 1 1 66 66 ILE CD1 C 13 17.35 0.20 . 1 . . . . . . . . 5185 1 811 . 1 1 66 66 ILE N N 15 122.47 0.10 . 1 . . . . . . . . 5185 1 812 . 1 1 67 67 THR H H 1 8.46 0.02 . 1 . . . . . . . . 5185 1 813 . 1 1 67 67 THR HA H 1 5.20 0.02 . 1 . . . . . . . . 5185 1 814 . 1 1 67 67 THR HB H 1 4.02 0.02 . 1 . . . . . . . . 5185 1 815 . 1 1 67 67 THR HG21 H 1 1.13 0.02 . 1 . . . . . . . . 5185 1 816 . 1 1 67 67 THR HG22 H 1 1.13 0.02 . 1 . . . . . . . . 5185 1 817 . 1 1 67 67 THR HG23 H 1 1.13 0.02 . 1 . . . . . . . . 5185 1 818 . 1 1 67 67 THR C C 13 173.31 0.20 . 1 . . . . . . . . 5185 1 819 . 1 1 67 67 THR CA C 13 61.79 0.20 . 1 . . . . . . . . 5185 1 820 . 1 1 67 67 THR CB C 13 69.35 0.20 . 1 . . . . . . . . 5185 1 821 . 1 1 67 67 THR CG2 C 13 23.34 0.20 . 1 . . . . . . . . 5185 1 822 . 1 1 67 67 THR N N 15 122.82 0.10 . 1 . . . . . . . . 5185 1 823 . 1 1 68 68 MET H H 1 9.19 0.02 . 1 . . . . . . . . 5185 1 824 . 1 1 68 68 MET HA H 1 5.07 0.02 . 1 . . . . . . . . 5185 1 825 . 1 1 68 68 MET HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5185 1 826 . 1 1 68 68 MET HB3 H 1 1.94 0.02 . 2 . . . . . . . . 5185 1 827 . 1 1 68 68 MET HG2 H 1 2.61 0.02 . 2 . . . . . . . . 5185 1 828 . 1 1 68 68 MET HG3 H 1 2.43 0.02 . 2 . . . . . . . . 5185 1 829 . 1 1 68 68 MET HE1 H 1 1.96 0.02 . 1 . . . . . . . . 5185 1 830 . 1 1 68 68 MET HE2 H 1 1.96 0.02 . 1 . . . . . . . . 5185 1 831 . 1 1 68 68 MET HE3 H 1 1.96 0.02 . 1 . . . . . . . . 5185 1 832 . 1 1 68 68 MET C C 13 174.48 0.20 . 1 . . . . . . . . 5185 1 833 . 1 1 68 68 MET CA C 13 54.33 0.20 . 1 . . . . . . . . 5185 1 834 . 1 1 68 68 MET CB C 13 37.41 0.20 . 1 . . . . . . . . 5185 1 835 . 1 1 68 68 MET CG C 13 33.95 0.20 . 1 . . . . . . . . 5185 1 836 . 1 1 68 68 MET CE C 13 19.48 0.20 . 1 . . . . . . . . 5185 1 837 . 1 1 68 68 MET N N 15 123.85 0.10 . 1 . . . . . . . . 5185 1 838 . 1 1 69 69 GLN H H 1 8.09 0.02 . 1 . . . . . . . . 5185 1 839 . 1 1 69 69 GLN HA H 1 4.83 0.02 . 1 . . . . . . . . 5185 1 840 . 1 1 69 69 GLN HB2 H 1 2.31 0.02 . 2 . . . . . . . . 5185 1 841 . 1 1 69 69 GLN HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5185 1 842 . 1 1 69 69 GLN HG2 H 1 2.56 0.02 . 2 . . . . . . . . 5185 1 843 . 1 1 69 69 GLN HG3 H 1 2.18 0.02 . 2 . . . . . . . . 5185 1 844 . 1 1 69 69 GLN HE21 H 1 7.83 0.02 . 1 . . . . . . . . 5185 1 845 . 1 1 69 69 GLN HE22 H 1 6.84 0.02 . 1 . . . . . . . . 5185 1 846 . 1 1 69 69 GLN C C 13 173.05 0.20 . 1 . . . . . . . . 5185 1 847 . 1 1 69 69 GLN CA C 13 55.82 0.20 . 1 . . . . . . . . 5185 1 848 . 1 1 69 69 GLN CB C 13 29.58 0.20 . 1 . . . . . . . . 5185 1 849 . 1 1 69 69 GLN CG C 13 34.06 0.20 . 1 . . . . . . . . 5185 1 850 . 1 1 69 69 GLN N N 15 121.08 0.10 . 1 . . . . . . . . 5185 1 851 . 1 1 69 69 GLN NE2 N 15 111.89 0.10 . 1 . . . . . . . . 5185 1 852 . 1 1 70 70 ILE H H 1 8.26 0.02 . 1 . . . . . . . . 5185 1 853 . 1 1 70 70 ILE HA H 1 4.74 0.02 . 1 . . . . . . . . 5185 1 854 . 1 1 70 70 ILE HB H 1 1.80 0.02 . 1 . . . . . . . . 5185 1 855 . 1 1 70 70 ILE HG12 H 1 1.64 0.02 . 2 . . . . . . . . 5185 1 856 . 1 1 70 70 ILE HG13 H 1 1.51 0.02 . 2 . . . . . . . . 5185 1 857 . 1 1 70 70 ILE HG21 H 1 1.08 0.02 . 1 . . . . . . . . 5185 1 858 . 1 1 70 70 ILE HG22 H 1 1.08 0.02 . 1 . . . . . . . . 5185 1 859 . 1 1 70 70 ILE HG23 H 1 1.08 0.02 . 1 . . . . . . . . 5185 1 860 . 1 1 70 70 ILE HD11 H 1 0.88 0.02 . 1 . . . . . . . . 5185 1 861 . 1 1 70 70 ILE HD12 H 1 0.88 0.02 . 1 . . . . . . . . 5185 1 862 . 1 1 70 70 ILE HD13 H 1 0.88 0.02 . 1 . . . . . . . . 5185 1 863 . 1 1 70 70 ILE C C 13 176.13 0.20 . 1 . . . . . . . . 5185 1 864 . 1 1 70 70 ILE CA C 13 57.44 0.20 . 1 . . . . . . . . 5185 1 865 . 1 1 70 70 ILE CB C 13 41.66 0.20 . 1 . . . . . . . . 5185 1 866 . 1 1 70 70 ILE CG1 C 13 26.83 0.20 . 1 . . . . . . . . 5185 1 867 . 1 1 70 70 ILE CG2 C 13 18.51 0.20 . 1 . . . . . . . . 5185 1 868 . 1 1 70 70 ILE CD1 C 13 10.90 0.20 . 1 . . . . . . . . 5185 1 869 . 1 1 70 70 ILE N N 15 119.35 0.10 . 1 . . . . . . . . 5185 1 870 . 1 1 71 71 MET H H 1 9.05 0.02 . 1 . . . . . . . . 5185 1 871 . 1 1 71 71 MET HA H 1 4.69 0.02 . 1 . . . . . . . . 5185 1 872 . 1 1 71 71 MET HB2 H 1 2.38 0.02 . 1 . . . . . . . . 5185 1 873 . 1 1 71 71 MET HB3 H 1 2.38 0.02 . 1 . . . . . . . . 5185 1 874 . 1 1 71 71 MET HG2 H 1 2.36 0.02 . 2 . . . . . . . . 5185 1 875 . 1 1 71 71 MET HG3 H 1 2.30 0.02 . 2 . . . . . . . . 5185 1 876 . 1 1 71 71 MET HE1 H 1 1.62 0.02 . 1 . . . . . . . . 5185 1 877 . 1 1 71 71 MET HE2 H 1 1.62 0.02 . 1 . . . . . . . . 5185 1 878 . 1 1 71 71 MET HE3 H 1 1.62 0.02 . 1 . . . . . . . . 5185 1 879 . 1 1 71 71 MET C C 13 173.85 0.20 . 1 . . . . . . . . 5185 1 880 . 1 1 71 71 MET CA C 13 55.79 0.20 . 1 . . . . . . . . 5185 1 881 . 1 1 71 71 MET CB C 13 34.04 0.20 . 1 . . . . . . . . 5185 1 882 . 1 1 71 71 MET CG C 13 32.23 0.20 . 1 . . . . . . . . 5185 1 883 . 1 1 71 71 MET CE C 13 16.99 0.20 . 1 . . . . . . . . 5185 1 884 . 1 1 71 71 MET N N 15 127.24 0.10 . 1 . . . . . . . . 5185 1 885 . 1 1 72 72 ARG H H 1 8.82 0.02 . 1 . . . . . . . . 5185 1 886 . 1 1 72 72 ARG HA H 1 4.82 0.02 . 1 . . . . . . . . 5185 1 887 . 1 1 72 72 ARG HB2 H 1 1.32 0.02 . 1 . . . . . . . . 5185 1 888 . 1 1 72 72 ARG HB3 H 1 1.32 0.02 . 1 . . . . . . . . 5185 1 889 . 1 1 72 72 ARG HG2 H 1 1.33 0.02 . 2 . . . . . . . . 5185 1 890 . 1 1 72 72 ARG HG3 H 1 1.21 0.02 . 2 . . . . . . . . 5185 1 891 . 1 1 72 72 ARG HD2 H 1 2.70 0.02 . 2 . . . . . . . . 5185 1 892 . 1 1 72 72 ARG HD3 H 1 2.50 0.02 . 2 . . . . . . . . 5185 1 893 . 1 1 72 72 ARG C C 13 175.54 0.20 . 1 . . . . . . . . 5185 1 894 . 1 1 72 72 ARG CA C 13 54.65 0.20 . 1 . . . . . . . . 5185 1 895 . 1 1 72 72 ARG CB C 13 32.31 0.20 . 1 . . . . . . . . 5185 1 896 . 1 1 72 72 ARG CG C 13 27.29 0.20 . 1 . . . . . . . . 5185 1 897 . 1 1 72 72 ARG CD C 13 43.59 0.20 . 1 . . . . . . . . 5185 1 898 . 1 1 72 72 ARG N N 15 127.23 0.10 . 1 . . . . . . . . 5185 1 899 . 1 1 73 73 ILE H H 1 9.25 0.02 . 1 . . . . . . . . 5185 1 900 . 1 1 73 73 ILE HA H 1 4.54 0.02 . 1 . . . . . . . . 5185 1 901 . 1 1 73 73 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 5185 1 902 . 1 1 73 73 ILE HG12 H 1 1.42 0.02 . 2 . . . . . . . . 5185 1 903 . 1 1 73 73 ILE HG13 H 1 1.01 0.02 . 2 . . . . . . . . 5185 1 904 . 1 1 73 73 ILE HG21 H 1 0.81 0.02 . 1 . . . . . . . . 5185 1 905 . 1 1 73 73 ILE HG22 H 1 0.81 0.02 . 1 . . . . . . . . 5185 1 906 . 1 1 73 73 ILE HG23 H 1 0.81 0.02 . 1 . . . . . . . . 5185 1 907 . 1 1 73 73 ILE HD11 H 1 0.86 0.02 . 1 . . . . . . . . 5185 1 908 . 1 1 73 73 ILE HD12 H 1 0.86 0.02 . 1 . . . . . . . . 5185 1 909 . 1 1 73 73 ILE HD13 H 1 0.86 0.02 . 1 . . . . . . . . 5185 1 910 . 1 1 73 73 ILE C C 13 175.15 0.20 . 1 . . . . . . . . 5185 1 911 . 1 1 73 73 ILE CA C 13 60.79 0.20 . 1 . . . . . . . . 5185 1 912 . 1 1 73 73 ILE CB C 13 40.57 0.20 . 1 . . . . . . . . 5185 1 913 . 1 1 73 73 ILE CG1 C 13 28.22 0.20 . 1 . . . . . . . . 5185 1 914 . 1 1 73 73 ILE CG2 C 13 17.26 0.20 . 1 . . . . . . . . 5185 1 915 . 1 1 73 73 ILE CD1 C 13 14.72 0.20 . 1 . . . . . . . . 5185 1 916 . 1 1 73 73 ILE N N 15 125.70 0.10 . 1 . . . . . . . . 5185 1 917 . 1 1 74 74 LYS H H 1 8.35 0.02 . 1 . . . . . . . . 5185 1 918 . 1 1 74 74 LYS HA H 1 5.03 0.02 . 1 . . . . . . . . 5185 1 919 . 1 1 74 74 LYS HB2 H 1 1.88 0.02 . 1 . . . . . . . . 5185 1 920 . 1 1 74 74 LYS HB3 H 1 1.66 0.02 . 1 . . . . . . . . 5185 1 921 . 1 1 74 74 LYS HG2 H 1 1.50 0.02 . 1 . . . . . . . . 5185 1 922 . 1 1 74 74 LYS HG3 H 1 1.50 0.02 . 1 . . . . . . . . 5185 1 923 . 1 1 74 74 LYS HD2 H 1 1.32 0.02 . 1 . . . . . . . . 5185 1 924 . 1 1 74 74 LYS HD3 H 1 1.32 0.02 . 1 . . . . . . . . 5185 1 925 . 1 1 74 74 LYS HE2 H 1 2.74 0.02 . 1 . . . . . . . . 5185 1 926 . 1 1 74 74 LYS HE3 H 1 2.74 0.02 . 1 . . . . . . . . 5185 1 927 . 1 1 74 74 LYS C C 13 174.37 0.20 . 1 . . . . . . . . 5185 1 928 . 1 1 74 74 LYS CA C 13 52.76 0.20 . 1 . . . . . . . . 5185 1 929 . 1 1 74 74 LYS CB C 13 34.24 0.20 . 1 . . . . . . . . 5185 1 930 . 1 1 74 74 LYS CG C 13 29.10 0.20 . 1 . . . . . . . . 5185 1 931 . 1 1 74 74 LYS CD C 13 25.01 0.20 . 1 . . . . . . . . 5185 1 932 . 1 1 74 74 LYS CE C 13 41.83 0.20 . 1 . . . . . . . . 5185 1 933 . 1 1 74 74 LYS N N 15 128.46 0.10 . 1 . . . . . . . . 5185 1 934 . 1 1 75 75 PRO HA H 1 4.06 0.02 . 1 . . . . . . . . 5185 1 935 . 1 1 75 75 PRO HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5185 1 936 . 1 1 75 75 PRO HB3 H 1 1.81 0.02 . 2 . . . . . . . . 5185 1 937 . 1 1 75 75 PRO HG2 H 1 2.16 0.02 . 2 . . . . . . . . 5185 1 938 . 1 1 75 75 PRO HG3 H 1 1.89 0.02 . 2 . . . . . . . . 5185 1 939 . 1 1 75 75 PRO HD2 H 1 4.02 0.02 . 2 . . . . . . . . 5185 1 940 . 1 1 75 75 PRO HD3 H 1 3.71 0.02 . 2 . . . . . . . . 5185 1 941 . 1 1 75 75 PRO C C 13 176.35 0.20 . 1 . . . . . . . . 5185 1 942 . 1 1 75 75 PRO CA C 13 64.47 0.20 . 1 . . . . . . . . 5185 1 943 . 1 1 75 75 PRO CB C 13 31.45 0.20 . 1 . . . . . . . . 5185 1 944 . 1 1 75 75 PRO CG C 13 27.52 0.20 . 1 . . . . . . . . 5185 1 945 . 1 1 75 75 PRO CD C 13 51.48 0.20 . 1 . . . . . . . . 5185 1 946 . 1 1 76 76 HIS H H 1 7.97 0.02 . 1 . . . . . . . . 5185 1 947 . 1 1 76 76 HIS HA H 1 4.30 0.02 . 1 . . . . . . . . 5185 1 948 . 1 1 76 76 HIS HB2 H 1 3.54 0.02 . 2 . . . . . . . . 5185 1 949 . 1 1 76 76 HIS HB3 H 1 3.34 0.02 . 2 . . . . . . . . 5185 1 950 . 1 1 76 76 HIS C C 13 175.05 0.20 . 1 . . . . . . . . 5185 1 951 . 1 1 76 76 HIS CA C 13 58.07 0.20 . 1 . . . . . . . . 5185 1 952 . 1 1 76 76 HIS CB C 13 28.60 0.20 . 1 . . . . . . . . 5185 1 953 . 1 1 76 76 HIS N N 15 121.02 0.10 . 1 . . . . . . . . 5185 1 954 . 1 1 77 77 GLN H H 1 8.32 0.02 . 1 . . . . . . . . 5185 1 955 . 1 1 77 77 GLN HA H 1 4.69 0.02 . 1 . . . . . . . . 5185 1 956 . 1 1 77 77 GLN HB2 H 1 2.27 0.02 . 2 . . . . . . . . 5185 1 957 . 1 1 77 77 GLN HB3 H 1 1.81 0.02 . 2 . . . . . . . . 5185 1 958 . 1 1 77 77 GLN HG2 H 1 2.39 0.02 . 2 . . . . . . . . 5185 1 959 . 1 1 77 77 GLN HG3 H 1 2.35 0.02 . 2 . . . . . . . . 5185 1 960 . 1 1 77 77 GLN HE21 H 1 7.48 0.02 . 1 . . . . . . . . 5185 1 961 . 1 1 77 77 GLN HE22 H 1 6.80 0.02 . 1 . . . . . . . . 5185 1 962 . 1 1 77 77 GLN C C 13 175.69 0.20 . 1 . . . . . . . . 5185 1 963 . 1 1 77 77 GLN CA C 13 56.28 0.20 . 1 . . . . . . . . 5185 1 964 . 1 1 77 77 GLN CB C 13 31.11 0.20 . 1 . . . . . . . . 5185 1 965 . 1 1 77 77 GLN CG C 13 34.06 0.20 . 1 . . . . . . . . 5185 1 966 . 1 1 77 77 GLN N N 15 118.62 0.10 . 1 . . . . . . . . 5185 1 967 . 1 1 77 77 GLN NE2 N 15 111.58 0.10 . 1 . . . . . . . . 5185 1 968 . 1 1 78 78 GLY H H 1 8.20 0.02 . 1 . . . . . . . . 5185 1 969 . 1 1 78 78 GLY HA2 H 1 3.99 0.02 . 2 . . . . . . . . 5185 1 970 . 1 1 78 78 GLY HA3 H 1 4.34 0.02 . 2 . . . . . . . . 5185 1 971 . 1 1 78 78 GLY C C 13 172.17 0.20 . 1 . . . . . . . . 5185 1 972 . 1 1 78 78 GLY CA C 13 45.53 0.20 . 1 . . . . . . . . 5185 1 973 . 1 1 78 78 GLY N N 15 107.89 0.10 . 1 . . . . . . . . 5185 1 974 . 1 1 79 79 GLN H H 1 8.25 0.02 . 1 . . . . . . . . 5185 1 975 . 1 1 79 79 GLN HA H 1 5.30 0.02 . 1 . . . . . . . . 5185 1 976 . 1 1 79 79 GLN HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5185 1 977 . 1 1 79 79 GLN HB3 H 1 1.94 0.02 . 2 . . . . . . . . 5185 1 978 . 1 1 79 79 GLN HG2 H 1 2.34 0.02 . 2 . . . . . . . . 5185 1 979 . 1 1 79 79 GLN HG3 H 1 2.29 0.02 . 2 . . . . . . . . 5185 1 980 . 1 1 79 79 GLN HE21 H 1 7.17 0.02 . 1 . . . . . . . . 5185 1 981 . 1 1 79 79 GLN HE22 H 1 6.43 0.02 . 1 . . . . . . . . 5185 1 982 . 1 1 79 79 GLN C C 13 174.91 0.20 . 1 . . . . . . . . 5185 1 983 . 1 1 79 79 GLN CA C 13 54.08 0.20 . 1 . . . . . . . . 5185 1 984 . 1 1 79 79 GLN CB C 13 31.70 0.20 . 1 . . . . . . . . 5185 1 985 . 1 1 79 79 GLN CG C 13 32.27 0.20 . 1 . . . . . . . . 5185 1 986 . 1 1 79 79 GLN N N 15 116.83 0.10 . 1 . . . . . . . . 5185 1 987 . 1 1 79 79 GLN NE2 N 15 108.73 0.10 . 1 . . . . . . . . 5185 1 988 . 1 1 80 80 HIS H H 1 8.35 0.02 . 1 . . . . . . . . 5185 1 989 . 1 1 80 80 HIS HA H 1 4.82 0.02 . 1 . . . . . . . . 5185 1 990 . 1 1 80 80 HIS HB2 H 1 3.11 0.02 . 1 . . . . . . . . 5185 1 991 . 1 1 80 80 HIS HB3 H 1 3.11 0.02 . 1 . . . . . . . . 5185 1 992 . 1 1 80 80 HIS C C 13 173.58 0.20 . 1 . . . . . . . . 5185 1 993 . 1 1 80 80 HIS CA C 13 56.08 0.20 . 1 . . . . . . . . 5185 1 994 . 1 1 80 80 HIS CB C 13 33.04 0.20 . 1 . . . . . . . . 5185 1 995 . 1 1 80 80 HIS N N 15 118.35 0.10 . 1 . . . . . . . . 5185 1 996 . 1 1 81 81 ILE H H 1 8.52 0.02 . 1 . . . . . . . . 5185 1 997 . 1 1 81 81 ILE HA H 1 4.42 0.02 . 1 . . . . . . . . 5185 1 998 . 1 1 81 81 ILE HB H 1 1.64 0.02 . 1 . . . . . . . . 5185 1 999 . 1 1 81 81 ILE HG12 H 1 1.51 0.02 . 2 . . . . . . . . 5185 1 1000 . 1 1 81 81 ILE HG13 H 1 0.52 0.02 . 2 . . . . . . . . 5185 1 1001 . 1 1 81 81 ILE HG21 H 1 0.72 0.02 . 1 . . . . . . . . 5185 1 1002 . 1 1 81 81 ILE HG22 H 1 0.72 0.02 . 1 . . . . . . . . 5185 1 1003 . 1 1 81 81 ILE HG23 H 1 0.72 0.02 . 1 . . . . . . . . 5185 1 1004 . 1 1 81 81 ILE HD11 H 1 0.46 0.02 . 1 . . . . . . . . 5185 1 1005 . 1 1 81 81 ILE HD12 H 1 0.46 0.02 . 1 . . . . . . . . 5185 1 1006 . 1 1 81 81 ILE HD13 H 1 0.46 0.02 . 1 . . . . . . . . 5185 1 1007 . 1 1 81 81 ILE C C 13 175.47 0.20 . 1 . . . . . . . . 5185 1 1008 . 1 1 81 81 ILE CA C 13 61.02 0.20 . 1 . . . . . . . . 5185 1 1009 . 1 1 81 81 ILE CB C 13 37.71 0.20 . 1 . . . . . . . . 5185 1 1010 . 1 1 81 81 ILE CG1 C 13 28.30 0.20 . 1 . . . . . . . . 5185 1 1011 . 1 1 81 81 ILE CG2 C 13 17.99 0.20 . 1 . . . . . . . . 5185 1 1012 . 1 1 81 81 ILE CD1 C 13 12.29 0.20 . 1 . . . . . . . . 5185 1 1013 . 1 1 81 81 ILE N N 15 124.47 0.10 . 1 . . . . . . . . 5185 1 1014 . 1 1 82 82 GLY H H 1 8.56 0.02 . 1 . . . . . . . . 5185 1 1015 . 1 1 82 82 GLY HA2 H 1 3.68 0.02 . 2 . . . . . . . . 5185 1 1016 . 1 1 82 82 GLY HA3 H 1 4.67 0.02 . 2 . . . . . . . . 5185 1 1017 . 1 1 82 82 GLY C C 13 171.67 0.20 . 1 . . . . . . . . 5185 1 1018 . 1 1 82 82 GLY CA C 13 43.88 0.20 . 1 . . . . . . . . 5185 1 1019 . 1 1 82 82 GLY N N 15 115.94 0.10 . 1 . . . . . . . . 5185 1 1020 . 1 1 83 83 GLU H H 1 8.22 0.02 . 1 . . . . . . . . 5185 1 1021 . 1 1 83 83 GLU HA H 1 4.82 0.02 . 1 . . . . . . . . 5185 1 1022 . 1 1 83 83 GLU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5185 1 1023 . 1 1 83 83 GLU HB3 H 1 1.69 0.02 . 2 . . . . . . . . 5185 1 1024 . 1 1 83 83 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 5185 1 1025 . 1 1 83 83 GLU HG3 H 1 2.03 0.02 . 2 . . . . . . . . 5185 1 1026 . 1 1 83 83 GLU C C 13 176.69 0.20 . 1 . . . . . . . . 5185 1 1027 . 1 1 83 83 GLU CA C 13 55.84 0.20 . 1 . . . . . . . . 5185 1 1028 . 1 1 83 83 GLU CB C 13 30.89 0.20 . 1 . . . . . . . . 5185 1 1029 . 1 1 83 83 GLU CG C 13 37.20 0.20 . 1 . . . . . . . . 5185 1 1030 . 1 1 83 83 GLU N N 15 118.62 0.10 . 1 . . . . . . . . 5185 1 1031 . 1 1 84 84 MET H H 1 9.07 0.02 . 1 . . . . . . . . 5185 1 1032 . 1 1 84 84 MET HA H 1 4.52 0.02 . 1 . . . . . . . . 5185 1 1033 . 1 1 84 84 MET HB2 H 1 1.63 0.02 . 1 . . . . . . . . 5185 1 1034 . 1 1 84 84 MET HB3 H 1 1.63 0.02 . 1 . . . . . . . . 5185 1 1035 . 1 1 84 84 MET HG2 H 1 2.11 0.02 . 1 . . . . . . . . 5185 1 1036 . 1 1 84 84 MET HG3 H 1 2.11 0.02 . 1 . . . . . . . . 5185 1 1037 . 1 1 84 84 MET HE1 H 1 1.02 0.02 . 1 . . . . . . . . 5185 1 1038 . 1 1 84 84 MET HE2 H 1 1.02 0.02 . 1 . . . . . . . . 5185 1 1039 . 1 1 84 84 MET HE3 H 1 1.02 0.02 . 1 . . . . . . . . 5185 1 1040 . 1 1 84 84 MET C C 13 173.66 0.20 . 1 . . . . . . . . 5185 1 1041 . 1 1 84 84 MET CA C 13 55.17 0.20 . 1 . . . . . . . . 5185 1 1042 . 1 1 84 84 MET CB C 13 37.77 0.20 . 1 . . . . . . . . 5185 1 1043 . 1 1 84 84 MET CG C 13 32.23 0.20 . 1 . . . . . . . . 5185 1 1044 . 1 1 84 84 MET CE C 13 15.69 0.20 . 1 . . . . . . . . 5185 1 1045 . 1 1 84 84 MET N N 15 123.10 0.10 . 1 . . . . . . . . 5185 1 1046 . 1 1 85 85 SER H H 1 7.92 0.02 . 1 . . . . . . . . 5185 1 1047 . 1 1 85 85 SER HA H 1 5.48 0.02 . 1 . . . . . . . . 5185 1 1048 . 1 1 85 85 SER HB2 H 1 3.71 0.02 . 2 . . . . . . . . 5185 1 1049 . 1 1 85 85 SER HB3 H 1 3.64 0.02 . 2 . . . . . . . . 5185 1 1050 . 1 1 85 85 SER C C 13 173.69 0.20 . 1 . . . . . . . . 5185 1 1051 . 1 1 85 85 SER CA C 13 56.78 0.20 . 1 . . . . . . . . 5185 1 1052 . 1 1 85 85 SER CB C 13 64.67 0.20 . 1 . . . . . . . . 5185 1 1053 . 1 1 85 85 SER N N 15 116.42 0.10 . 1 . . . . . . . . 5185 1 1054 . 1 1 86 86 PHE H H 1 9.26 0.02 . 1 . . . . . . . . 5185 1 1055 . 1 1 86 86 PHE HA H 1 4.95 0.02 . 1 . . . . . . . . 5185 1 1056 . 1 1 86 86 PHE HB2 H 1 3.08 0.02 . 1 . . . . . . . . 5185 1 1057 . 1 1 86 86 PHE HB3 H 1 2.55 0.02 . 1 . . . . . . . . 5185 1 1058 . 1 1 86 86 PHE HD1 H 1 7.23 0.02 . 1 . . . . . . . . 5185 1 1059 . 1 1 86 86 PHE HD2 H 1 7.23 0.02 . 1 . . . . . . . . 5185 1 1060 . 1 1 86 86 PHE HE1 H 1 7.06 0.02 . 1 . . . . . . . . 5185 1 1061 . 1 1 86 86 PHE HE2 H 1 7.06 0.02 . 1 . . . . . . . . 5185 1 1062 . 1 1 86 86 PHE HZ H 1 6.95 0.02 . 1 . . . . . . . . 5185 1 1063 . 1 1 86 86 PHE C C 13 174.19 0.20 . 1 . . . . . . . . 5185 1 1064 . 1 1 86 86 PHE CA C 13 56.44 0.20 . 1 . . . . . . . . 5185 1 1065 . 1 1 86 86 PHE CB C 13 45.58 0.20 . 1 . . . . . . . . 5185 1 1066 . 1 1 86 86 PHE CD1 C 13 132.56 0.20 . 1 . . . . . . . . 5185 1 1067 . 1 1 86 86 PHE CD2 C 13 132.56 0.20 . 1 . . . . . . . . 5185 1 1068 . 1 1 86 86 PHE CE1 C 13 130.41 0.20 . 1 . . . . . . . . 5185 1 1069 . 1 1 86 86 PHE CE2 C 13 130.41 0.20 . 1 . . . . . . . . 5185 1 1070 . 1 1 86 86 PHE CZ C 13 131.03 0.20 . 1 . . . . . . . . 5185 1 1071 . 1 1 86 86 PHE N N 15 122.60 0.10 . 1 . . . . . . . . 5185 1 1072 . 1 1 87 87 LEU H H 1 8.97 0.02 . 1 . . . . . . . . 5185 1 1073 . 1 1 87 87 LEU HA H 1 4.88 0.02 . 1 . . . . . . . . 5185 1 1074 . 1 1 87 87 LEU HB2 H 1 1.66 0.02 . 1 . . . . . . . . 5185 1 1075 . 1 1 87 87 LEU HB3 H 1 1.66 0.02 . 1 . . . . . . . . 5185 1 1076 . 1 1 87 87 LEU HG H 1 1.67 0.02 . 1 . . . . . . . . 5185 1 1077 . 1 1 87 87 LEU HD11 H 1 1.00 0.02 . 2 . . . . . . . . 5185 1 1078 . 1 1 87 87 LEU HD12 H 1 1.00 0.02 . 2 . . . . . . . . 5185 1 1079 . 1 1 87 87 LEU HD13 H 1 1.00 0.02 . 2 . . . . . . . . 5185 1 1080 . 1 1 87 87 LEU HD21 H 1 0.95 0.02 . 2 . . . . . . . . 5185 1 1081 . 1 1 87 87 LEU HD22 H 1 0.95 0.02 . 2 . . . . . . . . 5185 1 1082 . 1 1 87 87 LEU HD23 H 1 0.95 0.02 . 2 . . . . . . . . 5185 1 1083 . 1 1 87 87 LEU C C 13 176.81 0.20 . 1 . . . . . . . . 5185 1 1084 . 1 1 87 87 LEU CA C 13 54.92 0.20 . 1 . . . . . . . . 5185 1 1085 . 1 1 87 87 LEU CB C 13 43.95 0.20 . 1 . . . . . . . . 5185 1 1086 . 1 1 87 87 LEU CG C 13 27.00 0.20 . 1 . . . . . . . . 5185 1 1087 . 1 1 87 87 LEU CD1 C 13 24.73 0.20 . 2 . . . . . . . . 5185 1 1088 . 1 1 87 87 LEU CD2 C 13 25.07 0.20 . 2 . . . . . . . . 5185 1 1089 . 1 1 87 87 LEU N N 15 122.97 0.10 . 1 . . . . . . . . 5185 1 1090 . 1 1 88 88 GLN H H 1 9.42 0.02 . 1 . . . . . . . . 5185 1 1091 . 1 1 88 88 GLN HA H 1 4.78 0.02 . 1 . . . . . . . . 5185 1 1092 . 1 1 88 88 GLN HB2 H 1 2.17 0.02 . 2 . . . . . . . . 5185 1 1093 . 1 1 88 88 GLN HB3 H 1 2.01 0.02 . 2 . . . . . . . . 5185 1 1094 . 1 1 88 88 GLN HG2 H 1 2.36 0.02 . 2 . . . . . . . . 5185 1 1095 . 1 1 88 88 GLN HG3 H 1 2.18 0.02 . 2 . . . . . . . . 5185 1 1096 . 1 1 88 88 GLN HE21 H 1 7.54 0.02 . 1 . . . . . . . . 5185 1 1097 . 1 1 88 88 GLN HE22 H 1 6.82 0.02 . 1 . . . . . . . . 5185 1 1098 . 1 1 88 88 GLN C C 13 173.88 0.20 . 1 . . . . . . . . 5185 1 1099 . 1 1 88 88 GLN CA C 13 54.35 0.20 . 1 . . . . . . . . 5185 1 1100 . 1 1 88 88 GLN CB C 13 32.58 0.20 . 1 . . . . . . . . 5185 1 1101 . 1 1 88 88 GLN CG C 13 34.73 0.20 . 1 . . . . . . . . 5185 1 1102 . 1 1 88 88 GLN N N 15 122.58 0.10 . 1 . . . . . . . . 5185 1 1103 . 1 1 88 88 GLN NE2 N 15 110.95 0.10 . 1 . . . . . . . . 5185 1 1104 . 1 1 89 89 HIS H H 1 8.48 0.02 . 1 . . . . . . . . 5185 1 1105 . 1 1 89 89 HIS HA H 1 5.23 0.02 . 1 . . . . . . . . 5185 1 1106 . 1 1 89 89 HIS HB2 H 1 3.05 0.02 . 1 . . . . . . . . 5185 1 1107 . 1 1 89 89 HIS HB3 H 1 2.92 0.02 . 1 . . . . . . . . 5185 1 1108 . 1 1 89 89 HIS C C 13 174.29 0.20 . 1 . . . . . . . . 5185 1 1109 . 1 1 89 89 HIS CA C 13 52.52 0.20 . 1 . . . . . . . . 5185 1 1110 . 1 1 89 89 HIS CB C 13 33.68 0.20 . 1 . . . . . . . . 5185 1 1111 . 1 1 89 89 HIS N N 15 120.68 0.10 . 1 . . . . . . . . 5185 1 1112 . 1 1 90 90 ASN H H 1 8.64 0.02 . 1 . . . . . . . . 5185 1 1113 . 1 1 90 90 ASN HA H 1 4.81 0.02 . 1 . . . . . . . . 5185 1 1114 . 1 1 90 90 ASN HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5185 1 1115 . 1 1 90 90 ASN HB3 H 1 2.29 0.02 . 2 . . . . . . . . 5185 1 1116 . 1 1 90 90 ASN HD21 H 1 7.64 0.02 . 1 . . . . . . . . 5185 1 1117 . 1 1 90 90 ASN HD22 H 1 6.58 0.02 . 1 . . . . . . . . 5185 1 1118 . 1 1 90 90 ASN C C 13 174.88 0.20 . 1 . . . . . . . . 5185 1 1119 . 1 1 90 90 ASN CA C 13 53.96 0.20 . 1 . . . . . . . . 5185 1 1120 . 1 1 90 90 ASN CB C 13 40.38 0.20 . 1 . . . . . . . . 5185 1 1121 . 1 1 90 90 ASN N N 15 119.09 0.10 . 1 . . . . . . . . 5185 1 1122 . 1 1 90 90 ASN ND2 N 15 109.72 0.10 . 1 . . . . . . . . 5185 1 1123 . 1 1 91 91 LYS H H 1 7.59 0.02 . 1 . . . . . . . . 5185 1 1124 . 1 1 91 91 LYS HA H 1 4.45 0.02 . 1 . . . . . . . . 5185 1 1125 . 1 1 91 91 LYS HB2 H 1 1.80 0.02 . 2 . . . . . . . . 5185 1 1126 . 1 1 91 91 LYS HB3 H 1 1.70 0.02 . 2 . . . . . . . . 5185 1 1127 . 1 1 91 91 LYS HG2 H 1 1.42 0.02 . 1 . . . . . . . . 5185 1 1128 . 1 1 91 91 LYS HG3 H 1 1.42 0.02 . 1 . . . . . . . . 5185 1 1129 . 1 1 91 91 LYS HD2 H 1 1.72 0.02 . 2 . . . . . . . . 5185 1 1130 . 1 1 91 91 LYS HD3 H 1 1.63 0.02 . 2 . . . . . . . . 5185 1 1131 . 1 1 91 91 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 5185 1 1132 . 1 1 91 91 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 5185 1 1133 . 1 1 91 91 LYS C C 13 175.30 0.20 . 1 . . . . . . . . 5185 1 1134 . 1 1 91 91 LYS CA C 13 56.16 0.20 . 1 . . . . . . . . 5185 1 1135 . 1 1 91 91 LYS CB C 13 37.41 0.20 . 1 . . . . . . . . 5185 1 1136 . 1 1 91 91 LYS CG C 13 25.71 0.20 . 1 . . . . . . . . 5185 1 1137 . 1 1 91 91 LYS CD C 13 29.32 0.20 . 1 . . . . . . . . 5185 1 1138 . 1 1 91 91 LYS CE C 13 41.73 0.20 . 1 . . . . . . . . 5185 1 1139 . 1 1 91 91 LYS N N 15 117.61 0.10 . 1 . . . . . . . . 5185 1 1140 . 1 1 92 92 CYS H H 1 8.83 0.02 . 1 . . . . . . . . 5185 1 1141 . 1 1 92 92 CYS HA H 1 5.57 0.02 . 1 . . . . . . . . 5185 1 1142 . 1 1 92 92 CYS HB2 H 1 2.88 0.02 . 1 . . . . . . . . 5185 1 1143 . 1 1 92 92 CYS HB3 H 1 2.39 0.02 . 1 . . . . . . . . 5185 1 1144 . 1 1 92 92 CYS C C 13 173.25 0.20 . 1 . . . . . . . . 5185 1 1145 . 1 1 92 92 CYS CA C 13 54.13 0.20 . 1 . . . . . . . . 5185 1 1146 . 1 1 92 92 CYS CB C 13 48.37 0.20 . 1 . . . . . . . . 5185 1 1147 . 1 1 92 92 CYS N N 15 121.53 0.10 . 1 . . . . . . . . 5185 1 1148 . 1 1 93 93 GLU H H 1 9.39 0.02 . 1 . . . . . . . . 5185 1 1149 . 1 1 93 93 GLU HA H 1 4.62 0.02 . 1 . . . . . . . . 5185 1 1150 . 1 1 93 93 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5185 1 1151 . 1 1 93 93 GLU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 5185 1 1152 . 1 1 93 93 GLU HG2 H 1 2.24 0.02 . 2 . . . . . . . . 5185 1 1153 . 1 1 93 93 GLU HG3 H 1 2.16 0.02 . 2 . . . . . . . . 5185 1 1154 . 1 1 93 93 GLU C C 13 173.60 0.20 . 1 . . . . . . . . 5185 1 1155 . 1 1 93 93 GLU CA C 13 55.11 0.20 . 1 . . . . . . . . 5185 1 1156 . 1 1 93 93 GLU CB C 13 34.62 0.20 . 1 . . . . . . . . 5185 1 1157 . 1 1 93 93 GLU CG C 13 36.38 0.20 . 1 . . . . . . . . 5185 1 1158 . 1 1 93 93 GLU N N 15 121.41 0.10 . 1 . . . . . . . . 5185 1 1159 . 1 1 94 94 CYS H H 1 8.21 0.02 . 1 . . . . . . . . 5185 1 1160 . 1 1 94 94 CYS HA H 1 5.31 0.02 . 1 . . . . . . . . 5185 1 1161 . 1 1 94 94 CYS HB2 H 1 3.10 0.02 . 1 . . . . . . . . 5185 1 1162 . 1 1 94 94 CYS HB3 H 1 2.71 0.02 . 1 . . . . . . . . 5185 1 1163 . 1 1 94 94 CYS C C 13 174.09 0.20 . 1 . . . . . . . . 5185 1 1164 . 1 1 94 94 CYS CA C 13 57.21 0.20 . 1 . . . . . . . . 5185 1 1165 . 1 1 94 94 CYS CB C 13 46.07 0.20 . 1 . . . . . . . . 5185 1 1166 . 1 1 94 94 CYS N N 15 120.40 0.10 . 1 . . . . . . . . 5185 1 1167 . 1 1 95 95 ARG H H 1 9.18 0.02 . 1 . . . . . . . . 5185 1 1168 . 1 1 95 95 ARG HA H 1 5.00 0.02 . 1 . . . . . . . . 5185 1 1169 . 1 1 95 95 ARG HB2 H 1 1.89 0.02 . 2 . . . . . . . . 5185 1 1170 . 1 1 95 95 ARG HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5185 1 1171 . 1 1 95 95 ARG HG2 H 1 1.65 0.02 . 1 . . . . . . . . 5185 1 1172 . 1 1 95 95 ARG HG3 H 1 1.65 0.02 . 1 . . . . . . . . 5185 1 1173 . 1 1 95 95 ARG HD2 H 1 3.21 0.02 . 2 . . . . . . . . 5185 1 1174 . 1 1 95 95 ARG HD3 H 1 3.15 0.02 . 2 . . . . . . . . 5185 1 1175 . 1 1 95 95 ARG C C 13 173.49 0.20 . 1 . . . . . . . . 5185 1 1176 . 1 1 95 95 ARG CA C 13 52.83 0.20 . 1 . . . . . . . . 5185 1 1177 . 1 1 95 95 ARG CB C 13 32.82 0.20 . 1 . . . . . . . . 5185 1 1178 . 1 1 95 95 ARG CG C 13 26.91 0.20 . 1 . . . . . . . . 5185 1 1179 . 1 1 95 95 ARG CD C 13 42.98 0.20 . 1 . . . . . . . . 5185 1 1180 . 1 1 95 95 ARG N N 15 123.89 0.10 . 1 . . . . . . . . 5185 1 1181 . 1 1 96 96 PRO HA H 1 4.63 0.02 . 1 . . . . . . . . 5185 1 1182 . 1 1 96 96 PRO HB2 H 1 2.36 0.02 . 2 . . . . . . . . 5185 1 1183 . 1 1 96 96 PRO HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5185 1 1184 . 1 1 96 96 PRO HG2 H 1 2.18 0.02 . 2 . . . . . . . . 5185 1 1185 . 1 1 96 96 PRO HG3 H 1 1.93 0.02 . 2 . . . . . . . . 5185 1 1186 . 1 1 96 96 PRO HD2 H 1 3.81 0.02 . 2 . . . . . . . . 5185 1 1187 . 1 1 96 96 PRO HD3 H 1 3.66 0.02 . 2 . . . . . . . . 5185 1 1188 . 1 1 96 96 PRO C C 13 177.04 0.20 . 1 . . . . . . . . 5185 1 1189 . 1 1 96 96 PRO CA C 13 63.67 0.20 . 1 . . . . . . . . 5185 1 1190 . 1 1 96 96 PRO CB C 13 31.95 0.20 . 1 . . . . . . . . 5185 1 1191 . 1 1 96 96 PRO CG C 13 27.81 0.20 . 1 . . . . . . . . 5185 1 1192 . 1 1 96 96 PRO CD C 13 50.71 0.20 . 1 . . . . . . . . 5185 1 1193 . 1 1 97 97 LYS H H 1 8.14 0.02 . 1 . . . . . . . . 5185 1 1194 . 1 1 97 97 LYS HA H 1 4.14 0.02 . 1 . . . . . . . . 5185 1 1195 . 1 1 97 97 LYS HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5185 1 1196 . 1 1 97 97 LYS HB3 H 1 1.63 0.02 . 2 . . . . . . . . 5185 1 1197 . 1 1 97 97 LYS HG2 H 1 1.37 0.02 . 2 . . . . . . . . 5185 1 1198 . 1 1 97 97 LYS HG3 H 1 1.32 0.02 . 2 . . . . . . . . 5185 1 1199 . 1 1 97 97 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . 5185 1 1200 . 1 1 97 97 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . 5185 1 1201 . 1 1 97 97 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 5185 1 1202 . 1 1 97 97 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 5185 1 1203 . 1 1 97 97 LYS C C 13 176.36 0.20 . 1 . . . . . . . . 5185 1 1204 . 1 1 97 97 LYS CA C 13 57.11 0.20 . 1 . . . . . . . . 5185 1 1205 . 1 1 97 97 LYS CB C 13 33.55 0.20 . 1 . . . . . . . . 5185 1 1206 . 1 1 97 97 LYS CG C 13 25.68 0.20 . 1 . . . . . . . . 5185 1 1207 . 1 1 97 97 LYS CD C 13 29.36 0.20 . 1 . . . . . . . . 5185 1 1208 . 1 1 97 97 LYS CE C 13 41.91 0.20 . 1 . . . . . . . . 5185 1 1209 . 1 1 97 97 LYS N N 15 123.92 0.10 . 1 . . . . . . . . 5185 1 1210 . 1 1 98 98 LYS H H 1 8.39 0.02 . 1 . . . . . . . . 5185 1 1211 . 1 1 98 98 LYS HA H 1 4.39 0.02 . 1 . . . . . . . . 5185 1 1212 . 1 1 98 98 LYS HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5185 1 1213 . 1 1 98 98 LYS HB3 H 1 1.79 0.02 . 2 . . . . . . . . 5185 1 1214 . 1 1 98 98 LYS HG2 H 1 1.53 0.02 . 2 . . . . . . . . 5185 1 1215 . 1 1 98 98 LYS HG3 H 1 1.48 0.02 . 2 . . . . . . . . 5185 1 1216 . 1 1 98 98 LYS HD2 H 1 1.73 0.02 . 1 . . . . . . . . 5185 1 1217 . 1 1 98 98 LYS HD3 H 1 1.73 0.02 . 1 . . . . . . . . 5185 1 1218 . 1 1 98 98 LYS HE2 H 1 3.06 0.02 . 1 . . . . . . . . 5185 1 1219 . 1 1 98 98 LYS HE3 H 1 3.06 0.02 . 1 . . . . . . . . 5185 1 1220 . 1 1 98 98 LYS C C 13 175.16 0.20 . 1 . . . . . . . . 5185 1 1221 . 1 1 98 98 LYS CA C 13 56.23 0.20 . 1 . . . . . . . . 5185 1 1222 . 1 1 98 98 LYS CB C 13 33.26 0.20 . 1 . . . . . . . . 5185 1 1223 . 1 1 98 98 LYS CG C 13 24.73 0.20 . 1 . . . . . . . . 5185 1 1224 . 1 1 98 98 LYS CD C 13 28.99 0.20 . 1 . . . . . . . . 5185 1 1225 . 1 1 98 98 LYS CE C 13 42.12 0.20 . 1 . . . . . . . . 5185 1 1226 . 1 1 98 98 LYS N N 15 123.20 0.10 . 1 . . . . . . . . 5185 1 1227 . 1 1 99 99 ASP H H 1 7.83 0.02 . 1 . . . . . . . . 5185 1 1228 . 1 1 99 99 ASP HA H 1 4.39 0.02 . 1 . . . . . . . . 5185 1 1229 . 1 1 99 99 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 5185 1 1230 . 1 1 99 99 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 5185 1 1231 . 1 1 99 99 ASP C C 13 180.72 0.20 . 1 . . . . . . . . 5185 1 1232 . 1 1 99 99 ASP CA C 13 55.90 0.20 . 1 . . . . . . . . 5185 1 1233 . 1 1 99 99 ASP CB C 13 42.45 0.20 . 1 . . . . . . . . 5185 1 1234 . 1 1 99 99 ASP N N 15 127.09 0.10 . 1 . . . . . . . . 5185 1 stop_ save_