data_19043 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19043 _Entry.Title ; Protein A binding by an engineered Affibody molecule ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-19 _Entry.Accession_date 2013-02-19 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Torleif Hard . . . 19043 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19043 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Affibody molecule' . 19043 'binding protein' . 19043 'protein A' . 19043 'protein engineering' . 19043 'Z domain' . 19043 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19043 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 507 19043 '15N chemical shifts' 135 19043 '1H chemical shifts' 835 19043 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 2 . . 2013-10-29 2013-02-19 update BMRB 'update entry citation' 19043 1 . . 2013-08-14 2013-02-19 original author 'original release' 19043 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1H0T . 19043 PDB 2M5A 'BMRB Entry Tracking System' 19043 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19043 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23924760 _Citation.Full_citation . _Citation.Title 'High-affinity binding to staphylococcal protein A by an engineered dimeric Affibody molecule.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Eng. Des. Sel.' _Citation.Journal_name_full 'Protein engineering, design & selection : PEDS' _Citation.Journal_volume 26 _Citation.Journal_issue 10 _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 635 _Citation.Page_last 644 _Citation.Year 2013 _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 Malin Lindborg . . . 19043 1 2 Anatoly Dubnovitsky . . . 19043 1 3 Kenneth Olesen . . . 19043 1 4 Tomas Bjorkman . . . 19043 1 5 Lars Abrahmsen . . . 19043 1 6 Joachim Feldwisch . . . 19043 1 7 Torleif Hard . . . 19043 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19043 _Assembly.ID 1 _Assembly.Name 'Protein A binding by an engineered Affibody molecule' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Z_domain 1 $Z_domain A . yes native no no . . . 19043 1 2 ZpA963 2 $ZpA963 B . yes native no no . . . 19043 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Z_domain _Entity.Sf_category entity _Entity.Sf_framecode Z_domain _Entity.Entry_ID 19043 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Z_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VDNKFNKEQQNAFYEILHLP NLNEEQRNAFIQSLKDDPSQ SANLLAEAKKLNDAQAPK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6648.390 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4023 . "staphylococcal protein A Z domain" . . . . . 100.00 71 100.00 100.00 5.97e-31 . . . . 19043 1 2 no PDB 1H0T . "An Affibody In Complex With A Target Protein: Structure And Coupled Folding" . . . . . 100.00 58 100.00 100.00 5.22e-31 . . . . 19043 1 3 no PDB 1LP1 . "Protein Z In Complex With An In Vitro Selected Affibody" . . . . . 100.00 58 100.00 100.00 5.22e-31 . . . . 19043 1 4 no PDB 1Q2N . "Refined Solution Nmr Structure Of The Z Domain Of Staphylococcal Protein A" . . . . . 100.00 58 100.00 100.00 5.22e-31 . . . . 19043 1 5 no PDB 2M5A . "Protein A Binding By An Engineered Affibody Molecule" . . . . . 100.00 58 100.00 100.00 5.22e-31 . . . . 19043 1 6 no PDB 2SPZ . "Staphylococcal Protein A, Z-Domain, Nmr, 10 Structures" . . . . . 100.00 58 100.00 100.00 5.22e-31 . . . . 19043 1 7 no PDB 4GWP . "Structure Of The Mediator Head Module From S. Cerevisiae" . . . . . 100.00 407 98.28 98.28 1.28e-28 . . . . 19043 1 8 no PDB 4GWQ . "Structure Of The Mediator Head Module From S. Cerevisiae In Complex With The Carboxy-Terminal Domain (Ctd) Of Rna Polymerase Ii" . . . . . 100.00 407 98.28 98.28 1.28e-28 . . . . 19043 1 9 no DBJ BAC76617 . "protein A doublet [Cloning vector pscFvCA-E8VHd]" . . . . . 100.00 68 100.00 100.00 5.24e-31 . . . . 19043 1 10 no DBJ BAC76619 . "protein A doublet [Cloning vector pFCAH9-E8d]" . . . . . 100.00 126 100.00 100.00 3.57e-30 . . . . 19043 1 11 no DBJ BAL27690 . "FLAG-TEV cut site-protein A tag [Cloning vector pCtFLATAki-kanMX6]" . . . . . 100.00 86 100.00 100.00 7.75e-31 . . . . 19043 1 12 no DBJ BAL27694 . "Spac323.08-FLATA [Targeting vector pCtFLATAki-Pspac323.08-SalI-spac323.08(+)-kanMX6T]" . . . . . 100.00 298 100.00 100.00 7.18e-30 . . . . 19043 1 13 no DBJ BAL27697 . "HA-TEV cut site-protein A tag [Schizosaccharomyces pombe expression vector pFOX1-CHATA]" . . . . . 100.00 87 100.00 100.00 1.02e-30 . . . . 19043 1 14 no EMBL CAA49867 . "staphylococcal protein A [synthetic construct]" . . . . . 98.28 88 98.25 98.25 7.69e-30 . . . . 19043 1 15 no EMBL CAA65431 . "protein A [synthetic construct]" . . . . . 100.00 318 98.28 100.00 5.61e-28 . . . . 19043 1 16 no GB AAA72944 . "bifunctional fusion protein, partial [synthetic construct]" . . . . . 98.28 308 98.25 98.25 6.24e-30 . . . . 19043 1 17 no GB AAA73085 . "protein A signal fusion protein [unidentified cloning vector]" . . . . . 100.00 241 100.00 100.00 8.02e-30 . . . . 19043 1 18 no GB AAB00807 . "ZZ:beta-Gal' IgG-binding fusion protein [Cloning vector pKP497]" . . . . . 100.00 215 100.00 100.00 8.95e-30 . . . . 19043 1 19 no GB AAR10383 . "C-terminal TAP tag [synthetic construct]" . . . . . 100.00 194 100.00 100.00 2.16e-30 . . . . 19043 1 20 no GB AAR10384 . "N-terminal TAP tag [synthetic construct]" . . . . . 100.00 199 100.00 100.00 1.80e-30 . . . . 19043 1 21 no REF WP_052996913 . "hypothetical protein, partial [Staphylococcus aureus]" . . . . . 60.34 242 97.14 97.14 3.78e-12 . . . . 19043 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 . VAL . 19043 1 2 . ASP . 19043 1 3 . ASN . 19043 1 4 . LYS . 19043 1 5 . PHE . 19043 1 6 . ASN . 19043 1 7 . LYS . 19043 1 8 . GLU . 19043 1 9 . GLN . 19043 1 10 . GLN . 19043 1 11 . ASN . 19043 1 12 . ALA . 19043 1 13 . PHE . 19043 1 14 . TYR . 19043 1 15 . GLU . 19043 1 16 . ILE . 19043 1 17 . LEU . 19043 1 18 . HIS . 19043 1 19 . LEU . 19043 1 20 . PRO . 19043 1 21 . ASN . 19043 1 22 . LEU . 19043 1 23 . ASN . 19043 1 24 . GLU . 19043 1 25 . GLU . 19043 1 26 . GLN . 19043 1 27 . ARG . 19043 1 28 . ASN . 19043 1 29 . ALA . 19043 1 30 . PHE . 19043 1 31 . ILE . 19043 1 32 . GLN . 19043 1 33 . SER . 19043 1 34 . LEU . 19043 1 35 . LYS . 19043 1 36 . ASP . 19043 1 37 . ASP . 19043 1 38 . PRO . 19043 1 39 . SER . 19043 1 40 . GLN . 19043 1 41 . SER . 19043 1 42 . ALA . 19043 1 43 . ASN . 19043 1 44 . LEU . 19043 1 45 . LEU . 19043 1 46 . ALA . 19043 1 47 . GLU . 19043 1 48 . ALA . 19043 1 49 . LYS . 19043 1 50 . LYS . 19043 1 51 . LEU . 19043 1 52 . ASN . 19043 1 53 . ASP . 19043 1 54 . ALA . 19043 1 55 . GLN . 19043 1 56 . ALA . 19043 1 57 . PRO . 19043 1 58 . LYS . 19043 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 . VAL 1 1 19043 1 . ASP 2 2 19043 1 . ASN 3 3 19043 1 . LYS 4 4 19043 1 . PHE 5 5 19043 1 . ASN 6 6 19043 1 . LYS 7 7 19043 1 . GLU 8 8 19043 1 . GLN 9 9 19043 1 . GLN 10 10 19043 1 . ASN 11 11 19043 1 . ALA 12 12 19043 1 . PHE 13 13 19043 1 . TYR 14 14 19043 1 . GLU 15 15 19043 1 . ILE 16 16 19043 1 . LEU 17 17 19043 1 . HIS 18 18 19043 1 . LEU 19 19 19043 1 . PRO 20 20 19043 1 . ASN 21 21 19043 1 . LEU 22 22 19043 1 . ASN 23 23 19043 1 . GLU 24 24 19043 1 . GLU 25 25 19043 1 . GLN 26 26 19043 1 . ARG 27 27 19043 1 . ASN 28 28 19043 1 . ALA 29 29 19043 1 . PHE 30 30 19043 1 . ILE 31 31 19043 1 . GLN 32 32 19043 1 . SER 33 33 19043 1 . LEU 34 34 19043 1 . LYS 35 35 19043 1 . ASP 36 36 19043 1 . ASP 37 37 19043 1 . PRO 38 38 19043 1 . SER 39 39 19043 1 . GLN 40 40 19043 1 . SER 41 41 19043 1 . ALA 42 42 19043 1 . ASN 43 43 19043 1 . LEU 44 44 19043 1 . LEU 45 45 19043 1 . ALA 46 46 19043 1 . GLU 47 47 19043 1 . ALA 48 48 19043 1 . LYS 49 49 19043 1 . LYS 50 50 19043 1 . LEU 51 51 19043 1 . ASN 52 52 19043 1 . ASP 53 53 19043 1 . ALA 54 54 19043 1 . GLN 55 55 19043 1 . ALA 56 56 19043 1 . PRO 57 57 19043 1 . LYS 58 58 19043 1 stop_ save_ save_ZpA963 _Entity.Sf_category entity _Entity.Sf_framecode ZpA963 _Entity.Entry_ID 19043 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZpA963 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VDNKFNKETQEASWEIFTLP NLNGRQVAAFISSLLDDPSQ SANLLAEAKKLNDAQAPK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6394.143 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2013-12-02 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2M5A . "Protein A Binding By An Engineered Affibody Molecule" . . . . . 100.00 58 100.00 100.00 3.54e-32 . . . . 19043 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 1 101 VAL . 19043 2 2 102 ASP . 19043 2 3 103 ASN . 19043 2 4 104 LYS . 19043 2 5 105 PHE . 19043 2 6 106 ASN . 19043 2 7 107 LYS . 19043 2 8 108 GLU . 19043 2 9 109 THR . 19043 2 10 110 GLN . 19043 2 11 111 GLU . 19043 2 12 112 ALA . 19043 2 13 113 SER . 19043 2 14 114 TRP . 19043 2 15 115 GLU . 19043 2 16 116 ILE . 19043 2 17 117 PHE . 19043 2 18 118 THR . 19043 2 19 119 LEU . 19043 2 20 120 PRO . 19043 2 21 121 ASN . 19043 2 22 122 LEU . 19043 2 23 123 ASN . 19043 2 24 124 GLY . 19043 2 25 125 ARG . 19043 2 26 126 GLN . 19043 2 27 127 VAL . 19043 2 28 128 ALA . 19043 2 29 129 ALA . 19043 2 30 130 PHE . 19043 2 31 131 ILE . 19043 2 32 132 SER . 19043 2 33 133 SER . 19043 2 34 134 LEU . 19043 2 35 135 LEU . 19043 2 36 136 ASP . 19043 2 37 137 ASP . 19043 2 38 138 PRO . 19043 2 39 139 SER . 19043 2 40 140 GLN . 19043 2 41 141 SER . 19043 2 42 142 ALA . 19043 2 43 143 ASN . 19043 2 44 144 LEU . 19043 2 45 145 LEU . 19043 2 46 146 ALA . 19043 2 47 147 GLU . 19043 2 48 148 ALA . 19043 2 49 149 LYS . 19043 2 50 150 LYS . 19043 2 51 151 LEU . 19043 2 52 152 ASN . 19043 2 53 153 ASP . 19043 2 54 154 ALA . 19043 2 55 155 GLN . 19043 2 56 156 ALA . 19043 2 57 157 PRO . 19043 2 58 158 LYS . 19043 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 . VAL 1 1 19043 2 . ASP 2 2 19043 2 . ASN 3 3 19043 2 . LYS 4 4 19043 2 . PHE 5 5 19043 2 . ASN 6 6 19043 2 . LYS 7 7 19043 2 . GLU 8 8 19043 2 . THR 9 9 19043 2 . GLN 10 10 19043 2 . GLU 11 11 19043 2 . ALA 12 12 19043 2 . SER 13 13 19043 2 . TRP 14 14 19043 2 . GLU 15 15 19043 2 . ILE 16 16 19043 2 . PHE 17 17 19043 2 . THR 18 18 19043 2 . LEU 19 19 19043 2 . PRO 20 20 19043 2 . ASN 21 21 19043 2 . LEU 22 22 19043 2 . ASN 23 23 19043 2 . GLY 24 24 19043 2 . ARG 25 25 19043 2 . GLN 26 26 19043 2 . VAL 27 27 19043 2 . ALA 28 28 19043 2 . ALA 29 29 19043 2 . PHE 30 30 19043 2 . ILE 31 31 19043 2 . SER 32 32 19043 2 . SER 33 33 19043 2 . LEU 34 34 19043 2 . LEU 35 35 19043 2 . ASP 36 36 19043 2 . ASP 37 37 19043 2 . PRO 38 38 19043 2 . SER 39 39 19043 2 . GLN 40 40 19043 2 . SER 41 41 19043 2 . ALA 42 42 19043 2 . ASN 43 43 19043 2 . LEU 44 44 19043 2 . LEU 45 45 19043 2 . ALA 46 46 19043 2 . GLU 47 47 19043 2 . ALA 48 48 19043 2 . LYS 49 49 19043 2 . LYS 50 50 19043 2 . LEU 51 51 19043 2 . ASN 52 52 19043 2 . ASP 53 53 19043 2 . ALA 54 54 19043 2 . GLN 55 55 19043 2 . ALA 56 56 19043 2 . PRO 57 57 19043 2 . LYS 58 58 19043 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 19043 _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 $Z_domain . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 19043 1 2 2 $ZpA963 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19043 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 19043 _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 $Z_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . . . . . 'In-house standard expression vector with T7 promoter' . . 19043 1 2 2 $ZpA963 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . . . . . 'In-house standard expression vector with T7 promoter' . . 19043 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19043 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N labeled Z domain with 25% molar excess ZpA963' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Z domain' '[U-99% 13C; U-99% 15N]' . . 1 $Z_domain . . . 0.5 1.0 mM . . . . 19043 1 2 ZpA963 'natural abundance' . . 2 $ZpA963 . . . 0.625 1.25 mM . . . . 19043 1 3 NaCl 'natural abundance' . . . . . . 75 . . mM . . . . 19043 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19043 1 5 azide 'natural abundance' . . . . . . 0.1 . . % . . . . 19043 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19043 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N labeled Z domain with 25% molar excess ZpA963' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ZpA963 '[U-99% 13C; U-99% 15N]' . . 1 $Z_domain . . . 0.5 1.0 mM . . . . 19043 2 2 'Z domain' 'natural abundance' . . 2 $ZpA963 . . . 0.625 1.25 mM . . . . 19043 2 3 NaCl 'natural abundance' . . . . . . 75 . . mM . . . . 19043 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19043 2 5 azide 'natural abundance' . . . . . . 0.1 . . % . . . . 19043 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19043 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Buffer: 75 mM NaCl, 20 mM sodium phosphate, 0.1 % azide, and 7.5 % D2O at pH 5.6 (uncorrected reading).' 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 'ionic strength' 0.095 . M 19043 1 pH 5.6 . pH 19043 1 pressure 1 . atm 19043 1 temperature 273 . K 19043 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 19043 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19043 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19043 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19043 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19043 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19043 2 stop_ save_ save_CcPNMR _Software.Sf_category software _Software.Sf_framecode CcPNMR _Software.Entry_ID 19043 _Software.ID 3 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19043 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19043 3 'data analysis' 19043 3 'peak picking' 19043 3 stop_ save_ save_DANGLE _Software.Sf_category software _Software.Sf_framecode DANGLE _Software.Entry_ID 19043 _Software.ID 4 _Software.Name DANGLE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cheung MS, Maguire ML, Stevens TJ & Broadhurst RW (2010) J Magn Reson 202, 223-233.' . . 19043 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19043 4 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19043 _Software.ID 5 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19043 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19043 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19043 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19043 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19043 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 900 . . . 19043 1 2 spectrometer_2 Varian INOVA . 800 . . . 19043 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 19043 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 5 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 10 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 11 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 15 '2D F1(13C,15N)-filtered, F2(13C)-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 16 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 17 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 18 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 19 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 20 '3D HN(CO)CACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 21 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 22 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 23 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 24 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 25 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 26 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 27 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 28 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 29 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 30 '2D F1(13C,15N)-filtered, F2(13C)-edited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19043 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19043 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19043 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19043 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19043 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19043 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 9 '2D 1H-15N HSQC' . . . 19043 1 10 '2D 1H-13C HSQC aliphatic' . . . 19043 1 12 '3D 1H-15N NOESY' . . . 19043 1 13 '3D 1H-13C NOESY aliphatic' . . . 19043 1 14 '3D 1H-13C NOESY aromatic' . . . 19043 1 24 '2D 1H-15N HSQC' . . . 19043 1 25 '2D 1H-13C HSQC aliphatic' . . . 19043 1 27 '3D 1H-15N NOESY' . . . 19043 1 28 '3D 1H-13C NOESY aliphatic' . . . 19043 1 29 '3D 1H-13C NOESY aromatic' . . . 19043 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 VAL HA H 1 3.788 0.013 . 1 . . . A 1 VAL HA . 19043 1 2 . 1 1 1 1 VAL HB H 1 2.201 0.007 . 1 . . . A 1 VAL HB . 19043 1 3 . 1 1 1 1 VAL HG11 H 1 1.027 0.000 . 2 . . . A 1 VAL HG11 . 19043 1 4 . 1 1 1 1 VAL HG12 H 1 1.027 0.000 . 2 . . . A 1 VAL HG12 . 19043 1 5 . 1 1 1 1 VAL HG13 H 1 1.027 0.000 . 2 . . . A 1 VAL HG13 . 19043 1 6 . 1 1 1 1 VAL HG21 H 1 1.029 0.000 . 2 . . . A 1 VAL HG21 . 19043 1 7 . 1 1 1 1 VAL HG22 H 1 1.029 0.000 . 2 . . . A 1 VAL HG22 . 19043 1 8 . 1 1 1 1 VAL HG23 H 1 1.029 0.000 . 2 . . . A 1 VAL HG23 . 19043 1 9 . 1 1 1 1 VAL C C 13 172.115 0.000 . 1 . . . A 1 VAL C . 19043 1 10 . 1 1 1 1 VAL CA C 13 61.313 0.073 . 1 . . . A 1 VAL CA . 19043 1 11 . 1 1 1 1 VAL CB C 13 32.842 0.023 . 1 . . . A 1 VAL CB . 19043 1 12 . 1 1 1 1 VAL CG1 C 13 19.826 0.000 . 2 . . . A 1 VAL CG1 . 19043 1 13 . 1 1 1 1 VAL CG2 C 13 20.501 0.000 . 2 . . . A 1 VAL CG2 . 19043 1 14 . 1 1 2 2 ASP H H 1 8.762 0.011 . 1 . . . A 2 ASP H . 19043 1 15 . 1 1 2 2 ASP C C 13 175.535 0.000 . 1 . . . A 2 ASP C . 19043 1 16 . 1 1 2 2 ASP CA C 13 54.307 0.039 . 1 . . . A 2 ASP CA . 19043 1 17 . 1 1 2 2 ASP CB C 13 41.470 0.000 . 1 . . . A 2 ASP CB . 19043 1 18 . 1 1 2 2 ASP N N 15 125.357 0.026 . 1 . . . A 2 ASP N . 19043 1 19 . 1 1 3 3 ASN H H 1 8.548 0.002 . 1 . . . A 3 ASN H . 19043 1 20 . 1 1 3 3 ASN HA H 1 4.700 0.005 . 1 . . . A 3 ASN HA . 19043 1 21 . 1 1 3 3 ASN HB2 H 1 2.782 0.002 . 1 . . . A 3 ASN HB2 . 19043 1 22 . 1 1 3 3 ASN HB3 H 1 2.782 0.002 . 1 . . . A 3 ASN HB3 . 19043 1 23 . 1 1 3 3 ASN HD21 H 1 7.595 0.003 . 1 . . . A 3 ASN HD21 . 19043 1 24 . 1 1 3 3 ASN HD22 H 1 6.904 0.003 . 1 . . . A 3 ASN HD22 . 19043 1 25 . 1 1 3 3 ASN C C 13 175.246 0.000 . 1 . . . A 3 ASN C . 19043 1 26 . 1 1 3 3 ASN CA C 13 53.289 0.016 . 1 . . . A 3 ASN CA . 19043 1 27 . 1 1 3 3 ASN CB C 13 39.086 0.029 . 1 . . . A 3 ASN CB . 19043 1 28 . 1 1 3 3 ASN N N 15 120.441 0.014 . 1 . . . A 3 ASN N . 19043 1 29 . 1 1 3 3 ASN ND2 N 15 112.697 0.012 . 1 . . . A 3 ASN ND2 . 19043 1 30 . 1 1 4 4 LYS H H 1 8.337 0.004 . 1 . . . A 4 LYS H . 19043 1 31 . 1 1 4 4 LYS HA H 1 4.215 0.004 . 1 . . . A 4 LYS HA . 19043 1 32 . 1 1 4 4 LYS HB2 H 1 1.658 0.004 . 1 . . . A 4 LYS HB2 . 19043 1 33 . 1 1 4 4 LYS HB3 H 1 1.658 0.004 . 1 . . . A 4 LYS HB3 . 19043 1 34 . 1 1 4 4 LYS HG2 H 1 1.240 0.011 . 2 . . . A 4 LYS HG2 . 19043 1 35 . 1 1 4 4 LYS HG3 H 1 1.234 0.012 . 2 . . . A 4 LYS HG3 . 19043 1 36 . 1 1 4 4 LYS HD2 H 1 1.603 0.004 . 1 . . . A 4 LYS HD2 . 19043 1 37 . 1 1 4 4 LYS HD3 H 1 1.604 0.004 . 1 . . . A 4 LYS HD3 . 19043 1 38 . 1 1 4 4 LYS HE2 H 1 2.944 0.003 . 1 . . . A 4 LYS HE2 . 19043 1 39 . 1 1 4 4 LYS HE3 H 1 2.944 0.003 . 1 . . . A 4 LYS HE3 . 19043 1 40 . 1 1 4 4 LYS C C 13 176.404 0.000 . 1 . . . A 4 LYS C . 19043 1 41 . 1 1 4 4 LYS CA C 13 56.853 0.039 . 1 . . . A 4 LYS CA . 19043 1 42 . 1 1 4 4 LYS CB C 13 32.780 0.052 . 1 . . . A 4 LYS CB . 19043 1 43 . 1 1 4 4 LYS CG C 13 24.579 0.029 . 1 . . . A 4 LYS CG . 19043 1 44 . 1 1 4 4 LYS CD C 13 28.956 0.037 . 1 . . . A 4 LYS CD . 19043 1 45 . 1 1 4 4 LYS CE C 13 42.066 0.028 . 1 . . . A 4 LYS CE . 19043 1 46 . 1 1 4 4 LYS N N 15 121.461 0.021 . 1 . . . A 4 LYS N . 19043 1 47 . 1 1 5 5 PHE H H 1 8.277 0.002 . 1 . . . A 5 PHE H . 19043 1 48 . 1 1 5 5 PHE HB2 H 1 3.306 0.008 . 2 . . . A 5 PHE HB2 . 19043 1 49 . 1 1 5 5 PHE HB3 H 1 3.152 0.009 . 2 . . . A 5 PHE HB3 . 19043 1 50 . 1 1 5 5 PHE HD1 H 1 7.304 0.010 . 3 . . . A 5 PHE HD1 . 19043 1 51 . 1 1 5 5 PHE HD2 H 1 7.304 0.010 . 3 . . . A 5 PHE HD2 . 19043 1 52 . 1 1 5 5 PHE HE1 H 1 7.186 0.004 . 3 . . . A 5 PHE HE1 . 19043 1 53 . 1 1 5 5 PHE HE2 H 1 7.186 0.004 . 3 . . . A 5 PHE HE2 . 19043 1 54 . 1 1 5 5 PHE C C 13 175.433 0.000 . 1 . . . A 5 PHE C . 19043 1 55 . 1 1 5 5 PHE CA C 13 57.792 0.007 . 1 . . . A 5 PHE CA . 19043 1 56 . 1 1 5 5 PHE CB C 13 40.067 0.040 . 1 . . . A 5 PHE CB . 19043 1 57 . 1 1 5 5 PHE CD1 C 13 131.987 0.063 . 3 . . . A 5 PHE CD1 . 19043 1 58 . 1 1 5 5 PHE CD2 C 13 131.987 0.063 . 3 . . . A 5 PHE CD2 . 19043 1 59 . 1 1 5 5 PHE CE1 C 13 129.704 0.066 . 3 . . . A 5 PHE CE1 . 19043 1 60 . 1 1 5 5 PHE CE2 C 13 129.704 0.066 . 3 . . . A 5 PHE CE2 . 19043 1 61 . 1 1 5 5 PHE N N 15 119.538 0.020 . 1 . . . A 5 PHE N . 19043 1 62 . 1 1 6 6 ASN H H 1 8.443 0.005 . 1 . . . A 6 ASN H . 19043 1 63 . 1 1 6 6 ASN HA H 1 4.817 0.016 . 1 . . . A 6 ASN HA . 19043 1 64 . 1 1 6 6 ASN HB2 H 1 3.098 0.005 . 2 . . . A 6 ASN HB2 . 19043 1 65 . 1 1 6 6 ASN HB3 H 1 3.005 0.003 . 2 . . . A 6 ASN HB3 . 19043 1 66 . 1 1 6 6 ASN HD21 H 1 7.651 0.006 . 1 . . . A 6 ASN HD21 . 19043 1 67 . 1 1 6 6 ASN HD22 H 1 7.021 0.003 . 1 . . . A 6 ASN HD22 . 19043 1 68 . 1 1 6 6 ASN C C 13 175.884 0.000 . 1 . . . A 6 ASN C . 19043 1 69 . 1 1 6 6 ASN CA C 13 52.785 0.008 . 1 . . . A 6 ASN CA . 19043 1 70 . 1 1 6 6 ASN CB C 13 39.371 0.048 . 1 . . . A 6 ASN CB . 19043 1 71 . 1 1 6 6 ASN N N 15 121.168 0.027 . 1 . . . A 6 ASN N . 19043 1 72 . 1 1 6 6 ASN ND2 N 15 111.989 0.019 . 1 . . . A 6 ASN ND2 . 19043 1 73 . 1 1 7 7 LYS H H 1 8.460 0.008 . 1 . . . A 7 LYS H . 19043 1 74 . 1 1 7 7 LYS HA H 1 3.945 0.003 . 1 . . . A 7 LYS HA . 19043 1 75 . 1 1 7 7 LYS HB2 H 1 1.841 0.005 . 2 . . . A 7 LYS HB2 . 19043 1 76 . 1 1 7 7 LYS HB3 H 1 1.830 0.008 . 2 . . . A 7 LYS HB3 . 19043 1 77 . 1 1 7 7 LYS HG2 H 1 1.472 0.003 . 1 . . . A 7 LYS HG2 . 19043 1 78 . 1 1 7 7 LYS HG3 H 1 1.472 0.005 . 1 . . . A 7 LYS HG3 . 19043 1 79 . 1 1 7 7 LYS HD2 H 1 1.681 0.012 . 1 . . . A 7 LYS HD2 . 19043 1 80 . 1 1 7 7 LYS HD3 H 1 1.681 0.012 . 1 . . . A 7 LYS HD3 . 19043 1 81 . 1 1 7 7 LYS HE2 H 1 2.996 0.006 . 1 . . . A 7 LYS HE2 . 19043 1 82 . 1 1 7 7 LYS HE3 H 1 2.996 0.006 . 1 . . . A 7 LYS HE3 . 19043 1 83 . 1 1 7 7 LYS C C 13 178.196 0.000 . 1 . . . A 7 LYS C . 19043 1 84 . 1 1 7 7 LYS CA C 13 58.901 0.065 . 1 . . . A 7 LYS CA . 19043 1 85 . 1 1 7 7 LYS CB C 13 32.125 0.032 . 1 . . . A 7 LYS CB . 19043 1 86 . 1 1 7 7 LYS CG C 13 24.661 0.025 . 1 . . . A 7 LYS CG . 19043 1 87 . 1 1 7 7 LYS CD C 13 28.913 0.091 . 1 . . . A 7 LYS CD . 19043 1 88 . 1 1 7 7 LYS CE C 13 42.089 0.044 . 1 . . . A 7 LYS CE . 19043 1 89 . 1 1 7 7 LYS N N 15 121.688 0.027 . 1 . . . A 7 LYS N . 19043 1 90 . 1 1 8 8 GLU H H 1 8.386 0.006 . 1 . . . A 8 GLU H . 19043 1 91 . 1 1 8 8 GLU HA H 1 4.081 0.004 . 1 . . . A 8 GLU HA . 19043 1 92 . 1 1 8 8 GLU HB2 H 1 2.177 0.003 . 2 . . . A 8 GLU HB2 . 19043 1 93 . 1 1 8 8 GLU HB3 H 1 2.065 0.004 . 2 . . . A 8 GLU HB3 . 19043 1 94 . 1 1 8 8 GLU HG2 H 1 2.332 0.006 . 1 . . . A 8 GLU HG2 . 19043 1 95 . 1 1 8 8 GLU HG3 H 1 2.331 0.006 . 1 . . . A 8 GLU HG3 . 19043 1 96 . 1 1 8 8 GLU C C 13 179.894 0.000 . 1 . . . A 8 GLU C . 19043 1 97 . 1 1 8 8 GLU CA C 13 59.839 0.016 . 1 . . . A 8 GLU CA . 19043 1 98 . 1 1 8 8 GLU CB C 13 28.941 0.043 . 1 . . . A 8 GLU CB . 19043 1 99 . 1 1 8 8 GLU CG C 13 36.845 0.015 . 1 . . . A 8 GLU CG . 19043 1 100 . 1 1 8 8 GLU N N 15 119.926 0.031 . 1 . . . A 8 GLU N . 19043 1 101 . 1 1 9 9 GLN H H 1 8.307 0.007 . 1 . . . A 9 GLN H . 19043 1 102 . 1 1 9 9 GLN HA H 1 4.097 0.004 . 1 . . . A 9 GLN HA . 19043 1 103 . 1 1 9 9 GLN HB2 H 1 2.442 0.007 . 2 . . . A 9 GLN HB2 . 19043 1 104 . 1 1 9 9 GLN HB3 H 1 2.340 0.004 . 2 . . . A 9 GLN HB3 . 19043 1 105 . 1 1 9 9 GLN HG2 H 1 2.631 0.008 . 2 . . . A 9 GLN HG2 . 19043 1 106 . 1 1 9 9 GLN HG3 H 1 2.530 0.003 . 2 . . . A 9 GLN HG3 . 19043 1 107 . 1 1 9 9 GLN HE21 H 1 7.339 0.012 . 1 . . . A 9 GLN HE21 . 19043 1 108 . 1 1 9 9 GLN HE22 H 1 7.339 0.011 . 1 . . . A 9 GLN HE22 . 19043 1 109 . 1 1 9 9 GLN C C 13 177.324 0.000 . 1 . . . A 9 GLN C . 19043 1 110 . 1 1 9 9 GLN CA C 13 59.383 0.036 . 1 . . . A 9 GLN CA . 19043 1 111 . 1 1 9 9 GLN CB C 13 28.869 0.034 . 1 . . . A 9 GLN CB . 19043 1 112 . 1 1 9 9 GLN CG C 13 34.477 0.051 . 1 . . . A 9 GLN CG . 19043 1 113 . 1 1 9 9 GLN N N 15 121.401 0.022 . 1 . . . A 9 GLN N . 19043 1 114 . 1 1 9 9 GLN NE2 N 15 112.586 0.054 . 1 . . . A 9 GLN NE2 . 19043 1 115 . 1 1 10 10 GLN H H 1 8.040 0.005 . 1 . . . A 10 GLN H . 19043 1 116 . 1 1 10 10 GLN HA H 1 3.222 0.010 . 1 . . . A 10 GLN HA . 19043 1 117 . 1 1 10 10 GLN HB2 H 1 1.756 0.007 . 2 . . . A 10 GLN HB2 . 19043 1 118 . 1 1 10 10 GLN HB3 H 1 1.236 0.009 . 2 . . . A 10 GLN HB3 . 19043 1 119 . 1 1 10 10 GLN HG2 H 1 1.255 0.010 . 2 . . . A 10 GLN HG2 . 19043 1 120 . 1 1 10 10 GLN HG3 H 1 -0.132 0.008 . 2 . . . A 10 GLN HG3 . 19043 1 121 . 1 1 10 10 GLN HE22 H 1 6.612 0.001 . 1 . . . A 10 GLN HE22 . 19043 1 122 . 1 1 10 10 GLN C C 13 176.888 0.000 . 1 . . . A 10 GLN C . 19043 1 123 . 1 1 10 10 GLN CA C 13 58.949 0.047 . 1 . . . A 10 GLN CA . 19043 1 124 . 1 1 10 10 GLN CB C 13 28.841 0.026 . 1 . . . A 10 GLN CB . 19043 1 125 . 1 1 10 10 GLN CG C 13 33.182 0.026 . 1 . . . A 10 GLN CG . 19043 1 126 . 1 1 10 10 GLN N N 15 120.060 0.010 . 1 . . . A 10 GLN N . 19043 1 127 . 1 1 10 10 GLN NE2 N 15 110.217 0.031 . 1 . . . A 10 GLN NE2 . 19043 1 128 . 1 1 11 11 ASN H H 1 8.366 0.006 . 1 . . . A 11 ASN H . 19043 1 129 . 1 1 11 11 ASN HA H 1 4.350 0.005 . 1 . . . A 11 ASN HA . 19043 1 130 . 1 1 11 11 ASN HB2 H 1 2.792 0.005 . 2 . . . A 11 ASN HB2 . 19043 1 131 . 1 1 11 11 ASN HB3 H 1 2.792 0.005 . 2 . . . A 11 ASN HB3 . 19043 1 132 . 1 1 11 11 ASN HD21 H 1 7.703 0.005 . 1 . . . A 11 ASN HD21 . 19043 1 133 . 1 1 11 11 ASN HD22 H 1 6.984 0.005 . 1 . . . A 11 ASN HD22 . 19043 1 134 . 1 1 11 11 ASN C C 13 177.828 0.000 . 1 . . . A 11 ASN C . 19043 1 135 . 1 1 11 11 ASN CA C 13 56.257 0.069 . 1 . . . A 11 ASN CA . 19043 1 136 . 1 1 11 11 ASN CB C 13 38.210 0.048 . 1 . . . A 11 ASN CB . 19043 1 137 . 1 1 11 11 ASN N N 15 116.214 0.020 . 1 . . . A 11 ASN N . 19043 1 138 . 1 1 11 11 ASN ND2 N 15 112.528 0.015 . 1 . . . A 11 ASN ND2 . 19043 1 139 . 1 1 12 12 ALA H H 1 7.915 0.005 . 1 . . . A 12 ALA H . 19043 1 140 . 1 1 12 12 ALA HA H 1 4.009 0.003 . 1 . . . A 12 ALA HA . 19043 1 141 . 1 1 12 12 ALA HB1 H 1 1.483 0.007 . 1 . . . A 12 ALA HB1 . 19043 1 142 . 1 1 12 12 ALA HB2 H 1 1.483 0.007 . 1 . . . A 12 ALA HB2 . 19043 1 143 . 1 1 12 12 ALA HB3 H 1 1.483 0.007 . 1 . . . A 12 ALA HB3 . 19043 1 144 . 1 1 12 12 ALA C C 13 177.850 0.000 . 1 . . . A 12 ALA C . 19043 1 145 . 1 1 12 12 ALA CA C 13 55.293 0.040 . 1 . . . A 12 ALA CA . 19043 1 146 . 1 1 12 12 ALA CB C 13 18.321 0.032 . 1 . . . A 12 ALA CB . 19043 1 147 . 1 1 12 12 ALA N N 15 121.429 0.030 . 1 . . . A 12 ALA N . 19043 1 148 . 1 1 13 13 PHE H H 1 8.097 0.009 . 1 . . . A 13 PHE H . 19043 1 149 . 1 1 13 13 PHE HA H 1 3.573 0.006 . 1 . . . A 13 PHE HA . 19043 1 150 . 1 1 13 13 PHE HB2 H 1 3.009 0.007 . 2 . . . A 13 PHE HB2 . 19043 1 151 . 1 1 13 13 PHE HB3 H 1 2.608 0.007 . 2 . . . A 13 PHE HB3 . 19043 1 152 . 1 1 13 13 PHE HD1 H 1 6.373 0.005 . 3 . . . A 13 PHE HD1 . 19043 1 153 . 1 1 13 13 PHE HD2 H 1 6.373 0.005 . 3 . . . A 13 PHE HD2 . 19043 1 154 . 1 1 13 13 PHE HE1 H 1 7.090 0.007 . 3 . . . A 13 PHE HE1 . 19043 1 155 . 1 1 13 13 PHE HE2 H 1 7.090 0.007 . 3 . . . A 13 PHE HE2 . 19043 1 156 . 1 1 13 13 PHE HZ H 1 7.046 0.003 . 1 . . . A 13 PHE HZ . 19043 1 157 . 1 1 13 13 PHE C C 13 175.832 0.000 . 1 . . . A 13 PHE C . 19043 1 158 . 1 1 13 13 PHE CA C 13 61.855 0.039 . 1 . . . A 13 PHE CA . 19043 1 159 . 1 1 13 13 PHE CB C 13 38.917 0.047 . 1 . . . A 13 PHE CB . 19043 1 160 . 1 1 13 13 PHE CD1 C 13 132.129 0.033 . 3 . . . A 13 PHE CD1 . 19043 1 161 . 1 1 13 13 PHE CD2 C 13 132.129 0.033 . 3 . . . A 13 PHE CD2 . 19043 1 162 . 1 1 13 13 PHE CE1 C 13 130.503 0.069 . 3 . . . A 13 PHE CE1 . 19043 1 163 . 1 1 13 13 PHE CE2 C 13 130.503 0.069 . 3 . . . A 13 PHE CE2 . 19043 1 164 . 1 1 13 13 PHE CZ C 13 129.262 0.049 . 1 . . . A 13 PHE CZ . 19043 1 165 . 1 1 13 13 PHE N N 15 118.052 0.021 . 1 . . . A 13 PHE N . 19043 1 166 . 1 1 14 14 TYR H H 1 8.040 0.006 . 1 . . . A 14 TYR H . 19043 1 167 . 1 1 14 14 TYR HA H 1 3.985 0.009 . 1 . . . A 14 TYR HA . 19043 1 168 . 1 1 14 14 TYR HB2 H 1 2.959 0.008 . 1 . . . A 14 TYR HB2 . 19043 1 169 . 1 1 14 14 TYR HB3 H 1 2.959 0.008 . 1 . . . A 14 TYR HB3 . 19043 1 170 . 1 1 14 14 TYR HD1 H 1 6.995 0.004 . 3 . . . A 14 TYR HD1 . 19043 1 171 . 1 1 14 14 TYR HD2 H 1 6.995 0.004 . 3 . . . A 14 TYR HD2 . 19043 1 172 . 1 1 14 14 TYR HE1 H 1 6.643 0.004 . 3 . . . A 14 TYR HE1 . 19043 1 173 . 1 1 14 14 TYR HE2 H 1 6.643 0.004 . 3 . . . A 14 TYR HE2 . 19043 1 174 . 1 1 14 14 TYR C C 13 178.860 0.000 . 1 . . . A 14 TYR C . 19043 1 175 . 1 1 14 14 TYR CA C 13 59.795 0.032 . 1 . . . A 14 TYR CA . 19043 1 176 . 1 1 14 14 TYR CB C 13 36.980 0.053 . 1 . . . A 14 TYR CB . 19043 1 177 . 1 1 14 14 TYR CD1 C 13 131.993 0.045 . 3 . . . A 14 TYR CD1 . 19043 1 178 . 1 1 14 14 TYR CD2 C 13 131.993 0.045 . 3 . . . A 14 TYR CD2 . 19043 1 179 . 1 1 14 14 TYR CE1 C 13 117.524 0.083 . 3 . . . A 14 TYR CE1 . 19043 1 180 . 1 1 14 14 TYR CE2 C 13 117.524 0.083 . 3 . . . A 14 TYR CE2 . 19043 1 181 . 1 1 14 14 TYR N N 15 116.000 0.027 . 1 . . . A 14 TYR N . 19043 1 182 . 1 1 15 15 GLU H H 1 8.244 0.008 . 1 . . . A 15 GLU H . 19043 1 183 . 1 1 15 15 GLU HA H 1 3.971 0.006 . 1 . . . A 15 GLU HA . 19043 1 184 . 1 1 15 15 GLU HB2 H 1 2.069 0.009 . 2 . . . A 15 GLU HB2 . 19043 1 185 . 1 1 15 15 GLU HB3 H 1 1.905 0.007 . 2 . . . A 15 GLU HB3 . 19043 1 186 . 1 1 15 15 GLU HG2 H 1 2.331 0.006 . 1 . . . A 15 GLU HG2 . 19043 1 187 . 1 1 15 15 GLU HG3 H 1 2.331 0.006 . 1 . . . A 15 GLU HG3 . 19043 1 188 . 1 1 15 15 GLU C C 13 180.184 0.000 . 1 . . . A 15 GLU C . 19043 1 189 . 1 1 15 15 GLU CA C 13 60.607 0.037 . 1 . . . A 15 GLU CA . 19043 1 190 . 1 1 15 15 GLU CB C 13 29.722 0.032 . 1 . . . A 15 GLU CB . 19043 1 191 . 1 1 15 15 GLU CG C 13 36.766 0.132 . 1 . . . A 15 GLU CG . 19043 1 192 . 1 1 15 15 GLU N N 15 118.737 0.026 . 1 . . . A 15 GLU N . 19043 1 193 . 1 1 16 16 ILE H H 1 8.336 0.008 . 1 . . . A 16 ILE H . 19043 1 194 . 1 1 16 16 ILE HA H 1 3.353 0.004 . 1 . . . A 16 ILE HA . 19043 1 195 . 1 1 16 16 ILE HB H 1 1.741 0.008 . 1 . . . A 16 ILE HB . 19043 1 196 . 1 1 16 16 ILE HG12 H 1 1.759 0.005 . 1 . . . A 16 ILE HG12 . 19043 1 197 . 1 1 16 16 ILE HG13 H 1 1.758 0.005 . 1 . . . A 16 ILE HG13 . 19043 1 198 . 1 1 16 16 ILE HG21 H 1 0.685 0.008 . 1 . . . A 16 ILE HG21 . 19043 1 199 . 1 1 16 16 ILE HG22 H 1 0.685 0.008 . 1 . . . A 16 ILE HG22 . 19043 1 200 . 1 1 16 16 ILE HG23 H 1 0.685 0.008 . 1 . . . A 16 ILE HG23 . 19043 1 201 . 1 1 16 16 ILE HD11 H 1 0.535 0.006 . 1 . . . A 16 ILE HD11 . 19043 1 202 . 1 1 16 16 ILE HD12 H 1 0.535 0.006 . 1 . . . A 16 ILE HD12 . 19043 1 203 . 1 1 16 16 ILE HD13 H 1 0.535 0.006 . 1 . . . A 16 ILE HD13 . 19043 1 204 . 1 1 16 16 ILE C C 13 177.760 0.000 . 1 . . . A 16 ILE C . 19043 1 205 . 1 1 16 16 ILE CA C 13 65.654 0.032 . 1 . . . A 16 ILE CA . 19043 1 206 . 1 1 16 16 ILE CB C 13 37.403 0.032 . 1 . . . A 16 ILE CB . 19043 1 207 . 1 1 16 16 ILE CG1 C 13 30.658 0.047 . 1 . . . A 16 ILE CG1 . 19043 1 208 . 1 1 16 16 ILE CG2 C 13 17.393 0.037 . 1 . . . A 16 ILE CG2 . 19043 1 209 . 1 1 16 16 ILE CD1 C 13 13.032 0.030 . 1 . . . A 16 ILE CD1 . 19043 1 210 . 1 1 16 16 ILE N N 15 119.695 0.036 . 1 . . . A 16 ILE N . 19043 1 211 . 1 1 17 17 LEU H H 1 7.738 0.008 . 1 . . . A 17 LEU H . 19043 1 212 . 1 1 17 17 LEU HA H 1 3.553 0.009 . 1 . . . A 17 LEU HA . 19043 1 213 . 1 1 17 17 LEU HB2 H 1 1.301 0.016 . 2 . . . A 17 LEU HB2 . 19043 1 214 . 1 1 17 17 LEU HB3 H 1 1.145 0.013 . 2 . . . A 17 LEU HB3 . 19043 1 215 . 1 1 17 17 LEU HG H 1 1.265 0.019 . 1 . . . A 17 LEU HG . 19043 1 216 . 1 1 17 17 LEU HD11 H 1 0.480 0.026 . 2 . . . A 17 LEU HD11 . 19043 1 217 . 1 1 17 17 LEU HD12 H 1 0.480 0.026 . 2 . . . A 17 LEU HD12 . 19043 1 218 . 1 1 17 17 LEU HD13 H 1 0.480 0.026 . 2 . . . A 17 LEU HD13 . 19043 1 219 . 1 1 17 17 LEU HD21 H 1 0.426 0.015 . 2 . . . A 17 LEU HD21 . 19043 1 220 . 1 1 17 17 LEU HD22 H 1 0.426 0.015 . 2 . . . A 17 LEU HD22 . 19043 1 221 . 1 1 17 17 LEU HD23 H 1 0.426 0.015 . 2 . . . A 17 LEU HD23 . 19043 1 222 . 1 1 17 17 LEU C C 13 176.565 0.000 . 1 . . . A 17 LEU C . 19043 1 223 . 1 1 17 17 LEU CA C 13 57.559 0.017 . 1 . . . A 17 LEU CA . 19043 1 224 . 1 1 17 17 LEU CB C 13 41.838 0.054 . 1 . . . A 17 LEU CB . 19043 1 225 . 1 1 17 17 LEU CG C 13 26.284 0.005 . 1 . . . A 17 LEU CG . 19043 1 226 . 1 1 17 17 LEU CD1 C 13 23.792 0.034 . 2 . . . A 17 LEU CD1 . 19043 1 227 . 1 1 17 17 LEU CD2 C 13 24.762 0.344 . 2 . . . A 17 LEU CD2 . 19043 1 228 . 1 1 17 17 LEU N N 15 117.709 0.038 . 1 . . . A 17 LEU N . 19043 1 229 . 1 1 18 18 HIS H H 1 7.150 0.014 . 1 . . . A 18 HIS H . 19043 1 230 . 1 1 18 18 HIS HA H 1 4.497 0.009 . 1 . . . A 18 HIS HA . 19043 1 231 . 1 1 18 18 HIS HB2 H 1 3.302 0.014 . 2 . . . A 18 HIS HB2 . 19043 1 232 . 1 1 18 18 HIS HB3 H 1 2.946 0.015 . 2 . . . A 18 HIS HB3 . 19043 1 233 . 1 1 18 18 HIS HD2 H 1 7.110 0.008 . 1 . . . A 18 HIS HD2 . 19043 1 234 . 1 1 18 18 HIS HE1 H 1 8.063 0.004 . 1 . . . A 18 HIS HE1 . 19043 1 235 . 1 1 18 18 HIS C C 13 175.243 0.000 . 1 . . . A 18 HIS C . 19043 1 236 . 1 1 18 18 HIS CA C 13 56.056 0.085 . 1 . . . A 18 HIS CA . 19043 1 237 . 1 1 18 18 HIS CB C 13 30.648 0.008 . 1 . . . A 18 HIS CB . 19043 1 238 . 1 1 18 18 HIS CD2 C 13 120.322 0.150 . 1 . . . A 18 HIS CD2 . 19043 1 239 . 1 1 18 18 HIS CE1 C 13 135.853 0.047 . 1 . . . A 18 HIS CE1 . 19043 1 240 . 1 1 18 18 HIS N N 15 110.934 0.039 . 1 . . . A 18 HIS N . 19043 1 241 . 1 1 19 19 LEU H H 1 7.249 0.011 . 1 . . . A 19 LEU H . 19043 1 242 . 1 1 19 19 LEU HA H 1 4.418 0.003 . 1 . . . A 19 LEU HA . 19043 1 243 . 1 1 19 19 LEU HB2 H 1 1.725 0.006 . 2 . . . A 19 LEU HB2 . 19043 1 244 . 1 1 19 19 LEU HB3 H 1 1.309 0.004 . 2 . . . A 19 LEU HB3 . 19043 1 245 . 1 1 19 19 LEU HG H 1 2.204 0.004 . 1 . . . A 19 LEU HG . 19043 1 246 . 1 1 19 19 LEU HD11 H 1 0.811 0.008 . 2 . . . A 19 LEU HD11 . 19043 1 247 . 1 1 19 19 LEU HD12 H 1 0.811 0.008 . 2 . . . A 19 LEU HD12 . 19043 1 248 . 1 1 19 19 LEU HD13 H 1 0.811 0.008 . 2 . . . A 19 LEU HD13 . 19043 1 249 . 1 1 19 19 LEU HD21 H 1 0.638 0.006 . 2 . . . A 19 LEU HD21 . 19043 1 250 . 1 1 19 19 LEU HD22 H 1 0.638 0.006 . 2 . . . A 19 LEU HD22 . 19043 1 251 . 1 1 19 19 LEU HD23 H 1 0.638 0.006 . 2 . . . A 19 LEU HD23 . 19043 1 252 . 1 1 19 19 LEU CA C 13 53.476 0.056 . 1 . . . A 19 LEU CA . 19043 1 253 . 1 1 19 19 LEU CB C 13 40.322 0.050 . 1 . . . A 19 LEU CB . 19043 1 254 . 1 1 19 19 LEU CG C 13 25.110 0.023 . 1 . . . A 19 LEU CG . 19043 1 255 . 1 1 19 19 LEU CD1 C 13 23.330 0.020 . 2 . . . A 19 LEU CD1 . 19043 1 256 . 1 1 19 19 LEU CD2 C 13 27.340 0.015 . 2 . . . A 19 LEU CD2 . 19043 1 257 . 1 1 19 19 LEU N N 15 123.586 0.044 . 1 . . . A 19 LEU N . 19043 1 258 . 1 1 20 20 PRO HA H 1 4.431 0.006 . 1 . . . A 20 PRO HA . 19043 1 259 . 1 1 20 20 PRO HB2 H 1 2.261 0.002 . 2 . . . A 20 PRO HB2 . 19043 1 260 . 1 1 20 20 PRO HB3 H 1 1.970 0.003 . 2 . . . A 20 PRO HB3 . 19043 1 261 . 1 1 20 20 PRO HG2 H 1 2.127 0.010 . 2 . . . A 20 PRO HG2 . 19043 1 262 . 1 1 20 20 PRO HG3 H 1 1.993 0.008 . 2 . . . A 20 PRO HG3 . 19043 1 263 . 1 1 20 20 PRO HD2 H 1 4.034 0.005 . 2 . . . A 20 PRO HD2 . 19043 1 264 . 1 1 20 20 PRO HD3 H 1 3.789 0.007 . 2 . . . A 20 PRO HD3 . 19043 1 265 . 1 1 20 20 PRO C C 13 178.092 0.000 . 1 . . . A 20 PRO C . 19043 1 266 . 1 1 20 20 PRO CA C 13 64.897 0.048 . 1 . . . A 20 PRO CA . 19043 1 267 . 1 1 20 20 PRO CB C 13 32.572 0.012 . 1 . . . A 20 PRO CB . 19043 1 268 . 1 1 20 20 PRO CG C 13 27.033 0.133 . 1 . . . A 20 PRO CG . 19043 1 269 . 1 1 20 20 PRO CD C 13 51.529 0.077 . 1 . . . A 20 PRO CD . 19043 1 270 . 1 1 21 21 ASN H H 1 8.871 0.005 . 1 . . . A 21 ASN H . 19043 1 271 . 1 1 21 21 ASN HA H 1 5.009 0.006 . 1 . . . A 21 ASN HA . 19043 1 272 . 1 1 21 21 ASN HB2 H 1 2.881 0.004 . 1 . . . A 21 ASN HB2 . 19043 1 273 . 1 1 21 21 ASN HB3 H 1 2.881 0.004 . 1 . . . A 21 ASN HB3 . 19043 1 274 . 1 1 21 21 ASN HD21 H 1 7.433 0.007 . 1 . . . A 21 ASN HD21 . 19043 1 275 . 1 1 21 21 ASN HD22 H 1 6.974 0.007 . 1 . . . A 21 ASN HD22 . 19043 1 276 . 1 1 21 21 ASN C C 13 176.397 0.000 . 1 . . . A 21 ASN C . 19043 1 277 . 1 1 21 21 ASN CA C 13 52.629 0.021 . 1 . . . A 21 ASN CA . 19043 1 278 . 1 1 21 21 ASN CB C 13 38.810 0.014 . 1 . . . A 21 ASN CB . 19043 1 279 . 1 1 21 21 ASN N N 15 113.952 0.022 . 1 . . . A 21 ASN N . 19043 1 280 . 1 1 21 21 ASN ND2 N 15 114.834 0.040 . 1 . . . A 21 ASN ND2 . 19043 1 281 . 1 1 22 22 LEU H H 1 6.563 0.002 . 1 . . . A 22 LEU H . 19043 1 282 . 1 1 22 22 LEU HA H 1 4.401 0.005 . 1 . . . A 22 LEU HA . 19043 1 283 . 1 1 22 22 LEU HB2 H 1 1.781 0.009 . 2 . . . A 22 LEU HB2 . 19043 1 284 . 1 1 22 22 LEU HB3 H 1 1.592 0.007 . 2 . . . A 22 LEU HB3 . 19043 1 285 . 1 1 22 22 LEU HG H 1 1.673 0.014 . 1 . . . A 22 LEU HG . 19043 1 286 . 1 1 22 22 LEU HD11 H 1 0.960 0.008 . 2 . . . A 22 LEU HD11 . 19043 1 287 . 1 1 22 22 LEU HD12 H 1 0.960 0.008 . 2 . . . A 22 LEU HD12 . 19043 1 288 . 1 1 22 22 LEU HD13 H 1 0.960 0.008 . 2 . . . A 22 LEU HD13 . 19043 1 289 . 1 1 22 22 LEU HD21 H 1 0.870 0.006 . 2 . . . A 22 LEU HD21 . 19043 1 290 . 1 1 22 22 LEU HD22 H 1 0.870 0.006 . 2 . . . A 22 LEU HD22 . 19043 1 291 . 1 1 22 22 LEU HD23 H 1 0.870 0.006 . 2 . . . A 22 LEU HD23 . 19043 1 292 . 1 1 22 22 LEU C C 13 176.879 0.000 . 1 . . . A 22 LEU C . 19043 1 293 . 1 1 22 22 LEU CA C 13 54.457 0.028 . 1 . . . A 22 LEU CA . 19043 1 294 . 1 1 22 22 LEU CB C 13 42.520 0.009 . 1 . . . A 22 LEU CB . 19043 1 295 . 1 1 22 22 LEU CG C 13 27.079 0.036 . 1 . . . A 22 LEU CG . 19043 1 296 . 1 1 22 22 LEU CD1 C 13 26.568 0.085 . 2 . . . A 22 LEU CD1 . 19043 1 297 . 1 1 22 22 LEU CD2 C 13 22.396 0.010 . 2 . . . A 22 LEU CD2 . 19043 1 298 . 1 1 22 22 LEU N N 15 117.526 0.015 . 1 . . . A 22 LEU N . 19043 1 299 . 1 1 23 23 ASN H H 1 8.612 0.005 . 1 . . . A 23 ASN H . 19043 1 300 . 1 1 23 23 ASN HA H 1 4.868 0.006 . 1 . . . A 23 ASN HA . 19043 1 301 . 1 1 23 23 ASN HB2 H 1 3.222 0.003 . 2 . . . A 23 ASN HB2 . 19043 1 302 . 1 1 23 23 ASN HB3 H 1 2.814 0.005 . 2 . . . A 23 ASN HB3 . 19043 1 303 . 1 1 23 23 ASN HD21 H 1 7.480 0.002 . 1 . . . A 23 ASN HD21 . 19043 1 304 . 1 1 23 23 ASN HD22 H 1 7.004 0.006 . 1 . . . A 23 ASN HD22 . 19043 1 305 . 1 1 23 23 ASN C C 13 175.507 0.000 . 1 . . . A 23 ASN C . 19043 1 306 . 1 1 23 23 ASN CA C 13 51.416 0.005 . 1 . . . A 23 ASN CA . 19043 1 307 . 1 1 23 23 ASN CB C 13 38.712 0.022 . 1 . . . A 23 ASN CB . 19043 1 308 . 1 1 23 23 ASN N N 15 120.219 0.026 . 1 . . . A 23 ASN N . 19043 1 309 . 1 1 23 23 ASN ND2 N 15 111.600 0.032 . 1 . . . A 23 ASN ND2 . 19043 1 310 . 1 1 24 24 GLU H H 1 8.735 0.004 . 1 . . . A 24 GLU H . 19043 1 311 . 1 1 24 24 GLU HA H 1 3.874 0.004 . 1 . . . A 24 GLU HA . 19043 1 312 . 1 1 24 24 GLU HB2 H 1 2.043 0.010 . 2 . . . A 24 GLU HB2 . 19043 1 313 . 1 1 24 24 GLU HB3 H 1 2.023 0.007 . 2 . . . A 24 GLU HB3 . 19043 1 314 . 1 1 24 24 GLU HG2 H 1 2.350 0.007 . 2 . . . A 24 GLU HG2 . 19043 1 315 . 1 1 24 24 GLU HG3 H 1 2.289 0.009 . 2 . . . A 24 GLU HG3 . 19043 1 316 . 1 1 24 24 GLU C C 13 177.799 0.000 . 1 . . . A 24 GLU C . 19043 1 317 . 1 1 24 24 GLU CA C 13 60.191 0.035 . 1 . . . A 24 GLU CA . 19043 1 318 . 1 1 24 24 GLU CB C 13 29.365 0.060 . 1 . . . A 24 GLU CB . 19043 1 319 . 1 1 24 24 GLU CG C 13 36.440 0.034 . 1 . . . A 24 GLU CG . 19043 1 320 . 1 1 24 24 GLU N N 15 118.801 0.013 . 1 . . . A 24 GLU N . 19043 1 321 . 1 1 25 25 GLU H H 1 8.229 0.006 . 1 . . . A 25 GLU H . 19043 1 322 . 1 1 25 25 GLU HA H 1 3.978 0.005 . 1 . . . A 25 GLU HA . 19043 1 323 . 1 1 25 25 GLU HB2 H 1 2.044 0.008 . 1 . . . A 25 GLU HB2 . 19043 1 324 . 1 1 25 25 GLU HB3 H 1 2.042 0.011 . 1 . . . A 25 GLU HB3 . 19043 1 325 . 1 1 25 25 GLU HG2 H 1 2.262 0.008 . 1 . . . A 25 GLU HG2 . 19043 1 326 . 1 1 25 25 GLU HG3 H 1 2.262 0.007 . 1 . . . A 25 GLU HG3 . 19043 1 327 . 1 1 25 25 GLU C C 13 180.078 0.000 . 1 . . . A 25 GLU C . 19043 1 328 . 1 1 25 25 GLU CA C 13 59.891 0.076 . 1 . . . A 25 GLU CA . 19043 1 329 . 1 1 25 25 GLU CB C 13 29.131 0.042 . 1 . . . A 25 GLU CB . 19043 1 330 . 1 1 25 25 GLU CG C 13 36.596 0.045 . 1 . . . A 25 GLU CG . 19043 1 331 . 1 1 25 25 GLU N N 15 119.198 0.029 . 1 . . . A 25 GLU N . 19043 1 332 . 1 1 26 26 GLN H H 1 8.425 0.004 . 1 . . . A 26 GLN H . 19043 1 333 . 1 1 26 26 GLN HA H 1 3.940 0.007 . 1 . . . A 26 GLN HA . 19043 1 334 . 1 1 26 26 GLN HB2 H 1 2.459 0.009 . 1 . . . A 26 GLN HB2 . 19043 1 335 . 1 1 26 26 GLN HB3 H 1 2.457 0.008 . 1 . . . A 26 GLN HB3 . 19043 1 336 . 1 1 26 26 GLN HG2 H 1 2.755 0.002 . 2 . . . A 26 GLN HG2 . 19043 1 337 . 1 1 26 26 GLN HG3 H 1 2.345 0.003 . 2 . . . A 26 GLN HG3 . 19043 1 338 . 1 1 26 26 GLN HE21 H 1 8.309 0.004 . 1 . . . A 26 GLN HE21 . 19043 1 339 . 1 1 26 26 GLN HE22 H 1 7.668 0.009 . 1 . . . A 26 GLN HE22 . 19043 1 340 . 1 1 26 26 GLN C C 13 178.154 0.000 . 1 . . . A 26 GLN C . 19043 1 341 . 1 1 26 26 GLN CA C 13 57.893 0.027 . 1 . . . A 26 GLN CA . 19043 1 342 . 1 1 26 26 GLN CB C 13 28.902 0.033 . 1 . . . A 26 GLN CB . 19043 1 343 . 1 1 26 26 GLN CG C 13 33.847 0.043 . 1 . . . A 26 GLN CG . 19043 1 344 . 1 1 26 26 GLN N N 15 119.646 0.012 . 1 . . . A 26 GLN N . 19043 1 345 . 1 1 26 26 GLN NE2 N 15 112.878 0.025 . 1 . . . A 26 GLN NE2 . 19043 1 346 . 1 1 27 27 ARG H H 1 8.548 0.010 . 1 . . . A 27 ARG H . 19043 1 347 . 1 1 27 27 ARG HA H 1 3.786 0.004 . 1 . . . A 27 ARG HA . 19043 1 348 . 1 1 27 27 ARG HB2 H 1 1.851 0.004 . 1 . . . A 27 ARG HB2 . 19043 1 349 . 1 1 27 27 ARG HB3 H 1 1.850 0.005 . 1 . . . A 27 ARG HB3 . 19043 1 350 . 1 1 27 27 ARG HG2 H 1 1.672 0.005 . 2 . . . A 27 ARG HG2 . 19043 1 351 . 1 1 27 27 ARG HG3 H 1 1.363 0.005 . 2 . . . A 27 ARG HG3 . 19043 1 352 . 1 1 27 27 ARG HD2 H 1 3.271 0.005 . 2 . . . A 27 ARG HD2 . 19043 1 353 . 1 1 27 27 ARG HD3 H 1 3.086 0.007 . 2 . . . A 27 ARG HD3 . 19043 1 354 . 1 1 27 27 ARG HE H 1 7.493 0.014 . 1 . . . A 27 ARG HE . 19043 1 355 . 1 1 27 27 ARG C C 13 177.863 0.000 . 1 . . . A 27 ARG C . 19043 1 356 . 1 1 27 27 ARG CA C 13 60.630 0.033 . 1 . . . A 27 ARG CA . 19043 1 357 . 1 1 27 27 ARG CB C 13 29.644 0.083 . 1 . . . A 27 ARG CB . 19043 1 358 . 1 1 27 27 ARG CG C 13 26.172 0.094 . 1 . . . A 27 ARG CG . 19043 1 359 . 1 1 27 27 ARG CD C 13 42.807 0.069 . 1 . . . A 27 ARG CD . 19043 1 360 . 1 1 27 27 ARG N N 15 119.454 0.032 . 1 . . . A 27 ARG N . 19043 1 361 . 1 1 27 27 ARG NE N 15 108.029 0.062 . 1 . . . A 27 ARG NE . 19043 1 362 . 1 1 28 28 ASN H H 1 8.569 0.005 . 1 . . . A 28 ASN H . 19043 1 363 . 1 1 28 28 ASN HA H 1 4.332 0.006 . 1 . . . A 28 ASN HA . 19043 1 364 . 1 1 28 28 ASN HB2 H 1 2.880 0.007 . 2 . . . A 28 ASN HB2 . 19043 1 365 . 1 1 28 28 ASN HB3 H 1 2.724 0.007 . 2 . . . A 28 ASN HB3 . 19043 1 366 . 1 1 28 28 ASN HD21 H 1 7.360 0.007 . 1 . . . A 28 ASN HD21 . 19043 1 367 . 1 1 28 28 ASN HD22 H 1 6.756 0.013 . 1 . . . A 28 ASN HD22 . 19043 1 368 . 1 1 28 28 ASN C C 13 177.234 0.000 . 1 . . . A 28 ASN C . 19043 1 369 . 1 1 28 28 ASN CA C 13 56.038 0.042 . 1 . . . A 28 ASN CA . 19043 1 370 . 1 1 28 28 ASN CB C 13 37.685 0.097 . 1 . . . A 28 ASN CB . 19043 1 371 . 1 1 28 28 ASN N N 15 116.833 0.013 . 1 . . . A 28 ASN N . 19043 1 372 . 1 1 28 28 ASN ND2 N 15 108.932 0.032 . 1 . . . A 28 ASN ND2 . 19043 1 373 . 1 1 29 29 ALA H H 1 7.793 0.003 . 1 . . . A 29 ALA H . 19043 1 374 . 1 1 29 29 ALA HA H 1 4.054 0.003 . 1 . . . A 29 ALA HA . 19043 1 375 . 1 1 29 29 ALA HB1 H 1 1.309 0.004 . 1 . . . A 29 ALA HB1 . 19043 1 376 . 1 1 29 29 ALA HB2 H 1 1.309 0.004 . 1 . . . A 29 ALA HB2 . 19043 1 377 . 1 1 29 29 ALA HB3 H 1 1.309 0.004 . 1 . . . A 29 ALA HB3 . 19043 1 378 . 1 1 29 29 ALA C C 13 181.045 0.000 . 1 . . . A 29 ALA C . 19043 1 379 . 1 1 29 29 ALA CA C 13 55.250 0.053 . 1 . . . A 29 ALA CA . 19043 1 380 . 1 1 29 29 ALA CB C 13 17.820 0.037 . 1 . . . A 29 ALA CB . 19043 1 381 . 1 1 29 29 ALA N N 15 122.687 0.018 . 1 . . . A 29 ALA N . 19043 1 382 . 1 1 30 30 PHE H H 1 8.017 0.009 . 1 . . . A 30 PHE H . 19043 1 383 . 1 1 30 30 PHE HA H 1 4.378 0.005 . 1 . . . A 30 PHE HA . 19043 1 384 . 1 1 30 30 PHE HB2 H 1 3.109 0.006 . 2 . . . A 30 PHE HB2 . 19043 1 385 . 1 1 30 30 PHE HB3 H 1 3.035 0.005 . 2 . . . A 30 PHE HB3 . 19043 1 386 . 1 1 30 30 PHE HD1 H 1 7.266 0.006 . 3 . . . A 30 PHE HD1 . 19043 1 387 . 1 1 30 30 PHE HD2 H 1 7.266 0.006 . 3 . . . A 30 PHE HD2 . 19043 1 388 . 1 1 30 30 PHE HE1 H 1 7.084 0.004 . 3 . . . A 30 PHE HE1 . 19043 1 389 . 1 1 30 30 PHE HE2 H 1 7.084 0.004 . 3 . . . A 30 PHE HE2 . 19043 1 390 . 1 1 30 30 PHE HZ H 1 7.291 0.005 . 1 . . . A 30 PHE HZ . 19043 1 391 . 1 1 30 30 PHE C C 13 177.887 0.000 . 1 . . . A 30 PHE C . 19043 1 392 . 1 1 30 30 PHE CA C 13 62.619 0.048 . 1 . . . A 30 PHE CA . 19043 1 393 . 1 1 30 30 PHE CB C 13 39.459 0.050 . 1 . . . A 30 PHE CB . 19043 1 394 . 1 1 30 30 PHE CD1 C 13 131.838 0.027 . 3 . . . A 30 PHE CD1 . 19043 1 395 . 1 1 30 30 PHE CD2 C 13 131.838 0.027 . 3 . . . A 30 PHE CD2 . 19043 1 396 . 1 1 30 30 PHE CE1 C 13 129.461 0.049 . 3 . . . A 30 PHE CE1 . 19043 1 397 . 1 1 30 30 PHE CE2 C 13 129.461 0.049 . 3 . . . A 30 PHE CE2 . 19043 1 398 . 1 1 30 30 PHE CZ C 13 131.195 0.077 . 1 . . . A 30 PHE CZ . 19043 1 399 . 1 1 30 30 PHE N N 15 116.979 0.032 . 1 . . . A 30 PHE N . 19043 1 400 . 1 1 31 31 ILE H H 1 8.372 0.007 . 1 . . . A 31 ILE H . 19043 1 401 . 1 1 31 31 ILE HA H 1 3.778 0.007 . 1 . . . A 31 ILE HA . 19043 1 402 . 1 1 31 31 ILE HB H 1 2.194 0.004 . 1 . . . A 31 ILE HB . 19043 1 403 . 1 1 31 31 ILE HG12 H 1 1.842 0.010 . 1 . . . A 31 ILE HG12 . 19043 1 404 . 1 1 31 31 ILE HG13 H 1 1.842 0.010 . 1 . . . A 31 ILE HG13 . 19043 1 405 . 1 1 31 31 ILE HG21 H 1 1.198 0.008 . 1 . . . A 31 ILE HG21 . 19043 1 406 . 1 1 31 31 ILE HG22 H 1 1.198 0.008 . 1 . . . A 31 ILE HG22 . 19043 1 407 . 1 1 31 31 ILE HG23 H 1 1.198 0.008 . 1 . . . A 31 ILE HG23 . 19043 1 408 . 1 1 31 31 ILE HD11 H 1 0.758 0.009 . 1 . . . A 31 ILE HD11 . 19043 1 409 . 1 1 31 31 ILE HD12 H 1 0.758 0.009 . 1 . . . A 31 ILE HD12 . 19043 1 410 . 1 1 31 31 ILE HD13 H 1 0.758 0.009 . 1 . . . A 31 ILE HD13 . 19043 1 411 . 1 1 31 31 ILE C C 13 177.084 0.000 . 1 . . . A 31 ILE C . 19043 1 412 . 1 1 31 31 ILE CA C 13 65.645 0.036 . 1 . . . A 31 ILE CA . 19043 1 413 . 1 1 31 31 ILE CB C 13 37.115 0.055 . 1 . . . A 31 ILE CB . 19043 1 414 . 1 1 31 31 ILE CG1 C 13 28.762 0.012 . 1 . . . A 31 ILE CG1 . 19043 1 415 . 1 1 31 31 ILE CG2 C 13 18.029 0.029 . 1 . . . A 31 ILE CG2 . 19043 1 416 . 1 1 31 31 ILE CD1 C 13 12.457 0.024 . 1 . . . A 31 ILE CD1 . 19043 1 417 . 1 1 31 31 ILE N N 15 119.553 0.014 . 1 . . . A 31 ILE N . 19043 1 418 . 1 1 32 32 GLN H H 1 8.389 0.006 . 1 . . . A 32 GLN H . 19043 1 419 . 1 1 32 32 GLN HA H 1 3.806 0.009 . 1 . . . A 32 GLN HA . 19043 1 420 . 1 1 32 32 GLN HB2 H 1 2.184 0.008 . 2 . . . A 32 GLN HB2 . 19043 1 421 . 1 1 32 32 GLN HB3 H 1 1.958 0.007 . 2 . . . A 32 GLN HB3 . 19043 1 422 . 1 1 32 32 GLN HG2 H 1 2.184 0.009 . 2 . . . A 32 GLN HG2 . 19043 1 423 . 1 1 32 32 GLN HG3 H 1 2.126 0.009 . 2 . . . A 32 GLN HG3 . 19043 1 424 . 1 1 32 32 GLN HE21 H 1 7.789 0.004 . 1 . . . A 32 GLN HE21 . 19043 1 425 . 1 1 32 32 GLN HE22 H 1 6.671 0.006 . 1 . . . A 32 GLN HE22 . 19043 1 426 . 1 1 32 32 GLN C C 13 177.836 0.000 . 1 . . . A 32 GLN C . 19043 1 427 . 1 1 32 32 GLN CA C 13 58.768 0.036 . 1 . . . A 32 GLN CA . 19043 1 428 . 1 1 32 32 GLN CB C 13 27.978 0.054 . 1 . . . A 32 GLN CB . 19043 1 429 . 1 1 32 32 GLN CG C 13 32.937 0.032 . 1 . . . A 32 GLN CG . 19043 1 430 . 1 1 32 32 GLN N N 15 119.108 0.030 . 1 . . . A 32 GLN N . 19043 1 431 . 1 1 32 32 GLN NE2 N 15 111.642 0.017 . 1 . . . A 32 GLN NE2 . 19043 1 432 . 1 1 33 33 SER H H 1 8.078 0.005 . 1 . . . A 33 SER H . 19043 1 433 . 1 1 33 33 SER HA H 1 4.212 0.004 . 1 . . . A 33 SER HA . 19043 1 434 . 1 1 33 33 SER HB2 H 1 4.022 0.008 . 1 . . . A 33 SER HB2 . 19043 1 435 . 1 1 33 33 SER HB3 H 1 4.023 0.008 . 1 . . . A 33 SER HB3 . 19043 1 436 . 1 1 33 33 SER C C 13 175.469 0.000 . 1 . . . A 33 SER C . 19043 1 437 . 1 1 33 33 SER CA C 13 62.403 0.035 . 1 . . . A 33 SER CA . 19043 1 438 . 1 1 33 33 SER CB C 13 63.794 0.036 . 1 . . . A 33 SER CB . 19043 1 439 . 1 1 33 33 SER N N 15 114.437 0.034 . 1 . . . A 33 SER N . 19043 1 440 . 1 1 34 34 LEU H H 1 8.495 0.005 . 1 . . . A 34 LEU H . 19043 1 441 . 1 1 34 34 LEU HA H 1 3.910 0.011 . 1 . . . A 34 LEU HA . 19043 1 442 . 1 1 34 34 LEU HB2 H 1 2.098 0.008 . 2 . . . A 34 LEU HB2 . 19043 1 443 . 1 1 34 34 LEU HB3 H 1 1.901 0.005 . 2 . . . A 34 LEU HB3 . 19043 1 444 . 1 1 34 34 LEU HG H 1 2.001 0.011 . 1 . . . A 34 LEU HG . 19043 1 445 . 1 1 34 34 LEU HD11 H 1 1.033 0.012 . 2 . . . A 34 LEU HD11 . 19043 1 446 . 1 1 34 34 LEU HD12 H 1 1.033 0.012 . 2 . . . A 34 LEU HD12 . 19043 1 447 . 1 1 34 34 LEU HD13 H 1 1.033 0.012 . 2 . . . A 34 LEU HD13 . 19043 1 448 . 1 1 34 34 LEU HD21 H 1 1.002 0.011 . 2 . . . A 34 LEU HD21 . 19043 1 449 . 1 1 34 34 LEU HD22 H 1 1.002 0.011 . 2 . . . A 34 LEU HD22 . 19043 1 450 . 1 1 34 34 LEU HD23 H 1 1.002 0.011 . 2 . . . A 34 LEU HD23 . 19043 1 451 . 1 1 34 34 LEU C C 13 177.506 0.000 . 1 . . . A 34 LEU C . 19043 1 452 . 1 1 34 34 LEU CA C 13 57.428 0.156 . 1 . . . A 34 LEU CA . 19043 1 453 . 1 1 34 34 LEU CB C 13 42.812 0.026 . 1 . . . A 34 LEU CB . 19043 1 454 . 1 1 34 34 LEU CG C 13 27.271 0.040 . 1 . . . A 34 LEU CG . 19043 1 455 . 1 1 34 34 LEU CD1 C 13 25.279 0.033 . 2 . . . A 34 LEU CD1 . 19043 1 456 . 1 1 34 34 LEU CD2 C 13 25.964 0.042 . 2 . . . A 34 LEU CD2 . 19043 1 457 . 1 1 34 34 LEU N N 15 122.967 0.035 . 1 . . . A 34 LEU N . 19043 1 458 . 1 1 35 35 LYS H H 1 7.815 0.009 . 1 . . . A 35 LYS H . 19043 1 459 . 1 1 35 35 LYS HA H 1 3.813 0.006 . 1 . . . A 35 LYS HA . 19043 1 460 . 1 1 35 35 LYS HB2 H 1 1.971 0.007 . 2 . . . A 35 LYS HB2 . 19043 1 461 . 1 1 35 35 LYS HB3 H 1 1.504 0.008 . 2 . . . A 35 LYS HB3 . 19043 1 462 . 1 1 35 35 LYS HG2 H 1 1.045 0.008 . 2 . . . A 35 LYS HG2 . 19043 1 463 . 1 1 35 35 LYS HG3 H 1 0.777 0.006 . 2 . . . A 35 LYS HG3 . 19043 1 464 . 1 1 35 35 LYS HD2 H 1 1.376 0.007 . 2 . . . A 35 LYS HD2 . 19043 1 465 . 1 1 35 35 LYS HD3 H 1 0.457 0.008 . 2 . . . A 35 LYS HD3 . 19043 1 466 . 1 1 35 35 LYS HE2 H 1 2.822 0.005 . 2 . . . A 35 LYS HE2 . 19043 1 467 . 1 1 35 35 LYS HE3 H 1 2.385 0.006 . 2 . . . A 35 LYS HE3 . 19043 1 468 . 1 1 35 35 LYS C C 13 177.628 0.000 . 1 . . . A 35 LYS C . 19043 1 469 . 1 1 35 35 LYS CA C 13 56.877 0.070 . 1 . . . A 35 LYS CA . 19043 1 470 . 1 1 35 35 LYS CB C 13 32.019 0.029 . 1 . . . A 35 LYS CB . 19043 1 471 . 1 1 35 35 LYS CG C 13 23.761 0.044 . 1 . . . A 35 LYS CG . 19043 1 472 . 1 1 35 35 LYS CD C 13 27.182 0.096 . 1 . . . A 35 LYS CD . 19043 1 473 . 1 1 35 35 LYS CE C 13 43.246 0.090 . 1 . . . A 35 LYS CE . 19043 1 474 . 1 1 35 35 LYS N N 15 115.859 0.022 . 1 . . . A 35 LYS N . 19043 1 475 . 1 1 36 36 ASP H H 1 7.943 0.004 . 1 . . . A 36 ASP H . 19043 1 476 . 1 1 36 36 ASP HA H 1 4.514 0.004 . 1 . . . A 36 ASP HA . 19043 1 477 . 1 1 36 36 ASP HB2 H 1 2.751 0.008 . 2 . . . A 36 ASP HB2 . 19043 1 478 . 1 1 36 36 ASP HB3 H 1 2.649 0.008 . 2 . . . A 36 ASP HB3 . 19043 1 479 . 1 1 36 36 ASP C C 13 177.324 0.000 . 1 . . . A 36 ASP C . 19043 1 480 . 1 1 36 36 ASP CA C 13 56.686 0.023 . 1 . . . A 36 ASP CA . 19043 1 481 . 1 1 36 36 ASP CB C 13 40.671 0.077 . 1 . . . A 36 ASP CB . 19043 1 482 . 1 1 36 36 ASP N N 15 116.741 0.025 . 1 . . . A 36 ASP N . 19043 1 483 . 1 1 37 37 ASP H H 1 8.125 0.010 . 1 . . . A 37 ASP H . 19043 1 484 . 1 1 37 37 ASP HA H 1 5.041 0.003 . 1 . . . A 37 ASP HA . 19043 1 485 . 1 1 37 37 ASP HB2 H 1 3.063 0.002 . 2 . . . A 37 ASP HB2 . 19043 1 486 . 1 1 37 37 ASP HB3 H 1 2.500 0.004 . 2 . . . A 37 ASP HB3 . 19043 1 487 . 1 1 37 37 ASP CA C 13 51.946 0.067 . 1 . . . A 37 ASP CA . 19043 1 488 . 1 1 37 37 ASP CB C 13 40.523 0.024 . 1 . . . A 37 ASP CB . 19043 1 489 . 1 1 37 37 ASP N N 15 116.686 0.050 . 1 . . . A 37 ASP N . 19043 1 490 . 1 1 38 38 PRO HA H 1 4.583 0.007 . 1 . . . A 38 PRO HA . 19043 1 491 . 1 1 38 38 PRO HB2 H 1 2.518 0.005 . 2 . . . A 38 PRO HB2 . 19043 1 492 . 1 1 38 38 PRO HB3 H 1 2.045 0.005 . 2 . . . A 38 PRO HB3 . 19043 1 493 . 1 1 38 38 PRO HG2 H 1 2.180 0.002 . 2 . . . A 38 PRO HG2 . 19043 1 494 . 1 1 38 38 PRO HG3 H 1 2.043 0.004 . 2 . . . A 38 PRO HG3 . 19043 1 495 . 1 1 38 38 PRO HD2 H 1 3.832 0.006 . 2 . . . A 38 PRO HD2 . 19043 1 496 . 1 1 38 38 PRO HD3 H 1 3.589 0.005 . 2 . . . A 38 PRO HD3 . 19043 1 497 . 1 1 38 38 PRO C C 13 179.200 0.000 . 1 . . . A 38 PRO C . 19043 1 498 . 1 1 38 38 PRO CA C 13 64.537 0.033 . 1 . . . A 38 PRO CA . 19043 1 499 . 1 1 38 38 PRO CB C 13 31.886 0.036 . 1 . . . A 38 PRO CB . 19043 1 500 . 1 1 38 38 PRO CG C 13 27.308 0.026 . 1 . . . A 38 PRO CG . 19043 1 501 . 1 1 38 38 PRO CD C 13 50.133 0.076 . 1 . . . A 38 PRO CD . 19043 1 502 . 1 1 39 39 SER H H 1 8.315 0.005 . 1 . . . A 39 SER H . 19043 1 503 . 1 1 39 39 SER HA H 1 4.178 0.004 . 1 . . . A 39 SER HA . 19043 1 504 . 1 1 39 39 SER HB2 H 1 3.984 0.007 . 1 . . . A 39 SER HB2 . 19043 1 505 . 1 1 39 39 SER HB3 H 1 3.984 0.007 . 1 . . . A 39 SER HB3 . 19043 1 506 . 1 1 39 39 SER C C 13 176.151 0.000 . 1 . . . A 39 SER C . 19043 1 507 . 1 1 39 39 SER CA C 13 61.197 0.048 . 1 . . . A 39 SER CA . 19043 1 508 . 1 1 39 39 SER CB C 13 62.729 0.133 . 1 . . . A 39 SER CB . 19043 1 509 . 1 1 39 39 SER N N 15 114.963 0.025 . 1 . . . A 39 SER N . 19043 1 510 . 1 1 40 40 GLN H H 1 7.820 0.005 . 1 . . . A 40 GLN H . 19043 1 511 . 1 1 40 40 GLN HA H 1 4.660 0.004 . 1 . . . A 40 GLN HA . 19043 1 512 . 1 1 40 40 GLN HB2 H 1 2.671 0.004 . 2 . . . A 40 GLN HB2 . 19043 1 513 . 1 1 40 40 GLN HB3 H 1 2.009 0.007 . 2 . . . A 40 GLN HB3 . 19043 1 514 . 1 1 40 40 GLN HG2 H 1 2.462 0.006 . 2 . . . A 40 GLN HG2 . 19043 1 515 . 1 1 40 40 GLN HG3 H 1 2.299 0.007 . 2 . . . A 40 GLN HG3 . 19043 1 516 . 1 1 40 40 GLN HE21 H 1 7.629 0.006 . 1 . . . A 40 GLN HE21 . 19043 1 517 . 1 1 40 40 GLN HE22 H 1 6.874 0.002 . 1 . . . A 40 GLN HE22 . 19043 1 518 . 1 1 40 40 GLN C C 13 176.192 0.000 . 1 . . . A 40 GLN C . 19043 1 519 . 1 1 40 40 GLN CA C 13 54.981 0.005 . 1 . . . A 40 GLN CA . 19043 1 520 . 1 1 40 40 GLN CB C 13 28.168 0.039 . 1 . . . A 40 GLN CB . 19043 1 521 . 1 1 40 40 GLN CG C 13 33.721 0.012 . 1 . . . A 40 GLN CG . 19043 1 522 . 1 1 40 40 GLN N N 15 120.058 0.023 . 1 . . . A 40 GLN N . 19043 1 523 . 1 1 40 40 GLN NE2 N 15 114.227 0.008 . 1 . . . A 40 GLN NE2 . 19043 1 524 . 1 1 41 41 SER H H 1 7.666 0.007 . 1 . . . A 41 SER H . 19043 1 525 . 1 1 41 41 SER HA H 1 3.845 0.005 . 1 . . . A 41 SER HA . 19043 1 526 . 1 1 41 41 SER HB2 H 1 3.883 0.006 . 1 . . . A 41 SER HB2 . 19043 1 527 . 1 1 41 41 SER HB3 H 1 3.883 0.005 . 1 . . . A 41 SER HB3 . 19043 1 528 . 1 1 41 41 SER C C 13 174.181 0.000 . 1 . . . A 41 SER C . 19043 1 529 . 1 1 41 41 SER CA C 13 63.957 0.062 . 1 . . . A 41 SER CA . 19043 1 530 . 1 1 41 41 SER CB C 13 63.191 0.060 . 1 . . . A 41 SER CB . 19043 1 531 . 1 1 41 41 SER N N 15 115.553 0.033 . 1 . . . A 41 SER N . 19043 1 532 . 1 1 42 42 ALA H H 1 8.556 0.002 . 1 . . . A 42 ALA H . 19043 1 533 . 1 1 42 42 ALA HA H 1 4.123 0.005 . 1 . . . A 42 ALA HA . 19043 1 534 . 1 1 42 42 ALA HB1 H 1 1.417 0.004 . 1 . . . A 42 ALA HB1 . 19043 1 535 . 1 1 42 42 ALA HB2 H 1 1.417 0.004 . 1 . . . A 42 ALA HB2 . 19043 1 536 . 1 1 42 42 ALA HB3 H 1 1.417 0.004 . 1 . . . A 42 ALA HB3 . 19043 1 537 . 1 1 42 42 ALA C C 13 180.996 0.000 . 1 . . . A 42 ALA C . 19043 1 538 . 1 1 42 42 ALA CA C 13 55.563 0.030 . 1 . . . A 42 ALA CA . 19043 1 539 . 1 1 42 42 ALA CB C 13 18.056 0.075 . 1 . . . A 42 ALA CB . 19043 1 540 . 1 1 42 42 ALA N N 15 122.360 0.049 . 1 . . . A 42 ALA N . 19043 1 541 . 1 1 43 43 ASN H H 1 7.950 0.007 . 1 . . . A 43 ASN H . 19043 1 542 . 1 1 43 43 ASN HA H 1 4.519 0.003 . 1 . . . A 43 ASN HA . 19043 1 543 . 1 1 43 43 ASN HB2 H 1 2.899 0.003 . 1 . . . A 43 ASN HB2 . 19043 1 544 . 1 1 43 43 ASN HB3 H 1 2.898 0.005 . 1 . . . A 43 ASN HB3 . 19043 1 545 . 1 1 43 43 ASN HD21 H 1 7.792 0.002 . 1 . . . A 43 ASN HD21 . 19043 1 546 . 1 1 43 43 ASN HD22 H 1 7.007 0.002 . 1 . . . A 43 ASN HD22 . 19043 1 547 . 1 1 43 43 ASN C C 13 177.972 0.000 . 1 . . . A 43 ASN C . 19043 1 548 . 1 1 43 43 ASN CA C 13 55.854 0.035 . 1 . . . A 43 ASN CA . 19043 1 549 . 1 1 43 43 ASN CB C 13 38.149 0.061 . 1 . . . A 43 ASN CB . 19043 1 550 . 1 1 43 43 ASN N N 15 118.974 0.018 . 1 . . . A 43 ASN N . 19043 1 551 . 1 1 43 43 ASN ND2 N 15 112.923 0.014 . 1 . . . A 43 ASN ND2 . 19043 1 552 . 1 1 44 44 LEU H H 1 8.789 0.003 . 1 . . . A 44 LEU H . 19043 1 553 . 1 1 44 44 LEU HA H 1 4.189 0.004 . 1 . . . A 44 LEU HA . 19043 1 554 . 1 1 44 44 LEU HB2 H 1 1.907 0.006 . 2 . . . A 44 LEU HB2 . 19043 1 555 . 1 1 44 44 LEU HB3 H 1 1.317 0.007 . 2 . . . A 44 LEU HB3 . 19043 1 556 . 1 1 44 44 LEU HG H 1 1.906 0.003 . 1 . . . A 44 LEU HG . 19043 1 557 . 1 1 44 44 LEU HD11 H 1 1.134 0.003 . 2 . . . A 44 LEU HD11 . 19043 1 558 . 1 1 44 44 LEU HD12 H 1 1.134 0.003 . 2 . . . A 44 LEU HD12 . 19043 1 559 . 1 1 44 44 LEU HD13 H 1 1.134 0.003 . 2 . . . A 44 LEU HD13 . 19043 1 560 . 1 1 44 44 LEU HD21 H 1 0.846 0.006 . 2 . . . A 44 LEU HD21 . 19043 1 561 . 1 1 44 44 LEU HD22 H 1 0.846 0.006 . 2 . . . A 44 LEU HD22 . 19043 1 562 . 1 1 44 44 LEU HD23 H 1 0.846 0.006 . 2 . . . A 44 LEU HD23 . 19043 1 563 . 1 1 44 44 LEU C C 13 178.332 0.000 . 1 . . . A 44 LEU C . 19043 1 564 . 1 1 44 44 LEU CA C 13 57.834 0.040 . 1 . . . A 44 LEU CA . 19043 1 565 . 1 1 44 44 LEU CB C 13 42.351 0.017 . 1 . . . A 44 LEU CB . 19043 1 566 . 1 1 44 44 LEU CG C 13 27.180 0.051 . 1 . . . A 44 LEU CG . 19043 1 567 . 1 1 44 44 LEU CD1 C 13 23.389 0.027 . 2 . . . A 44 LEU CD1 . 19043 1 568 . 1 1 44 44 LEU CD2 C 13 26.261 0.050 . 2 . . . A 44 LEU CD2 . 19043 1 569 . 1 1 44 44 LEU N N 15 122.070 0.019 . 1 . . . A 44 LEU N . 19043 1 570 . 1 1 45 45 LEU H H 1 8.283 0.005 . 1 . . . A 45 LEU H . 19043 1 571 . 1 1 45 45 LEU HA H 1 3.805 0.003 . 1 . . . A 45 LEU HA . 19043 1 572 . 1 1 45 45 LEU HB2 H 1 1.425 0.007 . 2 . . . A 45 LEU HB2 . 19043 1 573 . 1 1 45 45 LEU HB3 H 1 1.932 0.006 . 2 . . . A 45 LEU HB3 . 19043 1 574 . 1 1 45 45 LEU HG H 1 1.502 0.009 . 1 . . . A 45 LEU HG . 19043 1 575 . 1 1 45 45 LEU HD11 H 1 0.885 0.006 . 2 . . . A 45 LEU HD11 . 19043 1 576 . 1 1 45 45 LEU HD12 H 1 0.885 0.006 . 2 . . . A 45 LEU HD12 . 19043 1 577 . 1 1 45 45 LEU HD13 H 1 0.885 0.006 . 2 . . . A 45 LEU HD13 . 19043 1 578 . 1 1 45 45 LEU HD21 H 1 0.874 0.007 . 2 . . . A 45 LEU HD21 . 19043 1 579 . 1 1 45 45 LEU HD22 H 1 0.874 0.007 . 2 . . . A 45 LEU HD22 . 19043 1 580 . 1 1 45 45 LEU HD23 H 1 0.874 0.007 . 2 . . . A 45 LEU HD23 . 19043 1 581 . 1 1 45 45 LEU C C 13 177.832 0.000 . 1 . . . A 45 LEU C . 19043 1 582 . 1 1 45 45 LEU CA C 13 57.885 0.050 . 1 . . . A 45 LEU CA . 19043 1 583 . 1 1 45 45 LEU CB C 13 41.806 0.033 . 1 . . . A 45 LEU CB . 19043 1 584 . 1 1 45 45 LEU CG C 13 26.886 0.073 . 1 . . . A 45 LEU CG . 19043 1 585 . 1 1 45 45 LEU CD1 C 13 23.618 0.022 . 2 . . . A 45 LEU CD1 . 19043 1 586 . 1 1 45 45 LEU CD2 C 13 25.447 0.071 . 2 . . . A 45 LEU CD2 . 19043 1 587 . 1 1 45 45 LEU N N 15 118.621 0.019 . 1 . . . A 45 LEU N . 19043 1 588 . 1 1 46 46 ALA H H 1 7.640 0.003 . 1 . . . A 46 ALA H . 19043 1 589 . 1 1 46 46 ALA HA H 1 4.010 0.005 . 1 . . . A 46 ALA HA . 19043 1 590 . 1 1 46 46 ALA HB1 H 1 1.524 0.006 . 1 . . . A 46 ALA HB1 . 19043 1 591 . 1 1 46 46 ALA HB2 H 1 1.524 0.006 . 1 . . . A 46 ALA HB2 . 19043 1 592 . 1 1 46 46 ALA HB3 H 1 1.524 0.006 . 1 . . . A 46 ALA HB3 . 19043 1 593 . 1 1 46 46 ALA C C 13 181.250 0.000 . 1 . . . A 46 ALA C . 19043 1 594 . 1 1 46 46 ALA CA C 13 55.296 0.045 . 1 . . . A 46 ALA CA . 19043 1 595 . 1 1 46 46 ALA CB C 13 17.951 0.087 . 1 . . . A 46 ALA CB . 19043 1 596 . 1 1 46 46 ALA N N 15 119.525 0.023 . 1 . . . A 46 ALA N . 19043 1 597 . 1 1 47 47 GLU H H 1 8.139 0.003 . 1 . . . A 47 GLU H . 19043 1 598 . 1 1 47 47 GLU HA H 1 4.030 0.003 . 1 . . . A 47 GLU HA . 19043 1 599 . 1 1 47 47 GLU HB2 H 1 2.280 0.003 . 1 . . . A 47 GLU HB2 . 19043 1 600 . 1 1 47 47 GLU HB3 H 1 2.280 0.003 . 1 . . . A 47 GLU HB3 . 19043 1 601 . 1 1 47 47 GLU HG2 H 1 2.485 0.006 . 1 . . . A 47 GLU HG2 . 19043 1 602 . 1 1 47 47 GLU HG3 H 1 2.486 0.004 . 1 . . . A 47 GLU HG3 . 19043 1 603 . 1 1 47 47 GLU C C 13 178.895 0.000 . 1 . . . A 47 GLU C . 19043 1 604 . 1 1 47 47 GLU CA C 13 59.166 0.032 . 1 . . . A 47 GLU CA . 19043 1 605 . 1 1 47 47 GLU CB C 13 29.538 0.023 . 1 . . . A 47 GLU CB . 19043 1 606 . 1 1 47 47 GLU CG C 13 35.846 0.027 . 1 . . . A 47 GLU CG . 19043 1 607 . 1 1 47 47 GLU N N 15 119.572 0.023 . 1 . . . A 47 GLU N . 19043 1 608 . 1 1 48 48 ALA H H 1 8.468 0.005 . 1 . . . A 48 ALA H . 19043 1 609 . 1 1 48 48 ALA HA H 1 3.527 0.002 . 1 . . . A 48 ALA HA . 19043 1 610 . 1 1 48 48 ALA HB1 H 1 0.421 0.006 . 1 . . . A 48 ALA HB1 . 19043 1 611 . 1 1 48 48 ALA HB2 H 1 0.421 0.006 . 1 . . . A 48 ALA HB2 . 19043 1 612 . 1 1 48 48 ALA HB3 H 1 0.421 0.006 . 1 . . . A 48 ALA HB3 . 19043 1 613 . 1 1 48 48 ALA C C 13 179.636 0.000 . 1 . . . A 48 ALA C . 19043 1 614 . 1 1 48 48 ALA CA C 13 55.516 0.044 . 1 . . . A 48 ALA CA . 19043 1 615 . 1 1 48 48 ALA CB C 13 17.245 0.041 . 1 . . . A 48 ALA CB . 19043 1 616 . 1 1 48 48 ALA N N 15 123.953 0.020 . 1 . . . A 48 ALA N . 19043 1 617 . 1 1 49 49 LYS H H 1 8.459 0.004 . 1 . . . A 49 LYS H . 19043 1 618 . 1 1 49 49 LYS HA H 1 3.739 0.006 . 1 . . . A 49 LYS HA . 19043 1 619 . 1 1 49 49 LYS HB2 H 1 1.925 0.008 . 2 . . . A 49 LYS HB2 . 19043 1 620 . 1 1 49 49 LYS HB3 H 1 1.728 0.003 . 2 . . . A 49 LYS HB3 . 19043 1 621 . 1 1 49 49 LYS HG2 H 1 1.635 0.005 . 2 . . . A 49 LYS HG2 . 19043 1 622 . 1 1 49 49 LYS HG3 H 1 1.295 0.005 . 2 . . . A 49 LYS HG3 . 19043 1 623 . 1 1 49 49 LYS HD2 H 1 1.650 0.007 . 2 . . . A 49 LYS HD2 . 19043 1 624 . 1 1 49 49 LYS HD3 H 1 1.568 0.006 . 2 . . . A 49 LYS HD3 . 19043 1 625 . 1 1 49 49 LYS HE2 H 1 2.905 0.004 . 2 . . . A 49 LYS HE2 . 19043 1 626 . 1 1 49 49 LYS HE3 H 1 2.805 0.006 . 2 . . . A 49 LYS HE3 . 19043 1 627 . 1 1 49 49 LYS C C 13 178.761 0.000 . 1 . . . A 49 LYS C . 19043 1 628 . 1 1 49 49 LYS CA C 13 60.392 0.055 . 1 . . . A 49 LYS CA . 19043 1 629 . 1 1 49 49 LYS CB C 13 32.089 0.067 . 1 . . . A 49 LYS CB . 19043 1 630 . 1 1 49 49 LYS CG C 13 26.629 0.044 . 1 . . . A 49 LYS CG . 19043 1 631 . 1 1 49 49 LYS CD C 13 29.304 0.043 . 1 . . . A 49 LYS CD . 19043 1 632 . 1 1 49 49 LYS CE C 13 41.807 0.069 . 1 . . . A 49 LYS CE . 19043 1 633 . 1 1 49 49 LYS N N 15 117.926 0.019 . 1 . . . A 49 LYS N . 19043 1 634 . 1 1 50 50 LYS H H 1 7.702 0.004 . 1 . . . A 50 LYS H . 19043 1 635 . 1 1 50 50 LYS HA H 1 4.088 0.007 . 1 . . . A 50 LYS HA . 19043 1 636 . 1 1 50 50 LYS HB2 H 1 1.936 0.005 . 2 . . . A 50 LYS HB2 . 19043 1 637 . 1 1 50 50 LYS HB3 H 1 1.938 0.006 . 2 . . . A 50 LYS HB3 . 19043 1 638 . 1 1 50 50 LYS HG2 H 1 1.604 0.003 . 2 . . . A 50 LYS HG2 . 19043 1 639 . 1 1 50 50 LYS HG3 H 1 1.399 0.005 . 2 . . . A 50 LYS HG3 . 19043 1 640 . 1 1 50 50 LYS HD2 H 1 1.712 0.008 . 1 . . . A 50 LYS HD2 . 19043 1 641 . 1 1 50 50 LYS HD3 H 1 1.711 0.005 . 1 . . . A 50 LYS HD3 . 19043 1 642 . 1 1 50 50 LYS HE2 H 1 2.948 0.001 . 1 . . . A 50 LYS HE2 . 19043 1 643 . 1 1 50 50 LYS HE3 H 1 2.948 0.001 . 1 . . . A 50 LYS HE3 . 19043 1 644 . 1 1 50 50 LYS C C 13 179.859 0.000 . 1 . . . A 50 LYS C . 19043 1 645 . 1 1 50 50 LYS CA C 13 59.735 0.093 . 1 . . . A 50 LYS CA . 19043 1 646 . 1 1 50 50 LYS CB C 13 32.462 0.055 . 1 . . . A 50 LYS CB . 19043 1 647 . 1 1 50 50 LYS CG C 13 25.044 0.016 . 1 . . . A 50 LYS CG . 19043 1 648 . 1 1 50 50 LYS CD C 13 29.537 0.002 . 1 . . . A 50 LYS CD . 19043 1 649 . 1 1 50 50 LYS CE C 13 41.955 0.036 . 1 . . . A 50 LYS CE . 19043 1 650 . 1 1 50 50 LYS N N 15 120.194 0.026 . 1 . . . A 50 LYS N . 19043 1 651 . 1 1 51 51 LEU H H 1 8.023 0.003 . 1 . . . A 51 LEU H . 19043 1 652 . 1 1 51 51 LEU HA H 1 4.127 0.002 . 1 . . . A 51 LEU HA . 19043 1 653 . 1 1 51 51 LEU HB2 H 1 1.721 0.010 . 2 . . . A 51 LEU HB2 . 19043 1 654 . 1 1 51 51 LEU HB3 H 1 1.657 0.012 . 2 . . . A 51 LEU HB3 . 19043 1 655 . 1 1 51 51 LEU HG H 1 1.593 0.002 . 1 . . . A 51 LEU HG . 19043 1 656 . 1 1 51 51 LEU HD11 H 1 0.979 0.007 . 2 . . . A 51 LEU HD11 . 19043 1 657 . 1 1 51 51 LEU HD12 H 1 0.979 0.007 . 2 . . . A 51 LEU HD12 . 19043 1 658 . 1 1 51 51 LEU HD13 H 1 0.979 0.007 . 2 . . . A 51 LEU HD13 . 19043 1 659 . 1 1 51 51 LEU HD21 H 1 0.979 0.006 . 2 . . . A 51 LEU HD21 . 19043 1 660 . 1 1 51 51 LEU HD22 H 1 0.979 0.006 . 2 . . . A 51 LEU HD22 . 19043 1 661 . 1 1 51 51 LEU HD23 H 1 0.979 0.006 . 2 . . . A 51 LEU HD23 . 19043 1 662 . 1 1 51 51 LEU C C 13 178.123 0.000 . 1 . . . A 51 LEU C . 19043 1 663 . 1 1 51 51 LEU CA C 13 57.597 0.027 . 1 . . . A 51 LEU CA . 19043 1 664 . 1 1 51 51 LEU CB C 13 42.352 0.029 . 1 . . . A 51 LEU CB . 19043 1 665 . 1 1 51 51 LEU CG C 13 26.885 0.028 . 1 . . . A 51 LEU CG . 19043 1 666 . 1 1 51 51 LEU CD1 C 13 24.325 0.064 . 2 . . . A 51 LEU CD1 . 19043 1 667 . 1 1 51 51 LEU CD2 C 13 24.314 0.079 . 2 . . . A 51 LEU CD2 . 19043 1 668 . 1 1 51 51 LEU N N 15 122.126 0.016 . 1 . . . A 51 LEU N . 19043 1 669 . 1 1 52 52 ASN H H 1 8.537 0.005 . 1 . . . A 52 ASN H . 19043 1 670 . 1 1 52 52 ASN HA H 1 3.935 0.005 . 1 . . . A 52 ASN HA . 19043 1 671 . 1 1 52 52 ASN HB2 H 1 3.056 0.007 . 2 . . . A 52 ASN HB2 . 19043 1 672 . 1 1 52 52 ASN HB3 H 1 2.371 0.004 . 2 . . . A 52 ASN HB3 . 19043 1 673 . 1 1 52 52 ASN HD21 H 1 7.930 0.004 . 1 . . . A 52 ASN HD21 . 19043 1 674 . 1 1 52 52 ASN HD22 H 1 6.849 0.004 . 1 . . . A 52 ASN HD22 . 19043 1 675 . 1 1 52 52 ASN C C 13 177.668 0.000 . 1 . . . A 52 ASN C . 19043 1 676 . 1 1 52 52 ASN CA C 13 57.917 0.052 . 1 . . . A 52 ASN CA . 19043 1 677 . 1 1 52 52 ASN CB C 13 41.936 0.082 . 1 . . . A 52 ASN CB . 19043 1 678 . 1 1 52 52 ASN N N 15 116.675 0.011 . 1 . . . A 52 ASN N . 19043 1 679 . 1 1 52 52 ASN ND2 N 15 116.162 0.062 . 1 . . . A 52 ASN ND2 . 19043 1 680 . 1 1 53 53 ASP H H 1 8.220 0.004 . 1 . . . A 53 ASP H . 19043 1 681 . 1 1 53 53 ASP HA H 1 4.444 0.004 . 1 . . . A 53 ASP HA . 19043 1 682 . 1 1 53 53 ASP HB2 H 1 2.745 0.006 . 2 . . . A 53 ASP HB2 . 19043 1 683 . 1 1 53 53 ASP HB3 H 1 2.692 0.004 . 2 . . . A 53 ASP HB3 . 19043 1 684 . 1 1 53 53 ASP C C 13 178.936 0.000 . 1 . . . A 53 ASP C . 19043 1 685 . 1 1 53 53 ASP CA C 13 56.933 0.045 . 1 . . . A 53 ASP CA . 19043 1 686 . 1 1 53 53 ASP CB C 13 40.095 0.044 . 1 . . . A 53 ASP CB . 19043 1 687 . 1 1 53 53 ASP N N 15 118.725 0.029 . 1 . . . A 53 ASP N . 19043 1 688 . 1 1 54 54 ALA H H 1 8.037 0.004 . 1 . . . A 54 ALA H . 19043 1 689 . 1 1 54 54 ALA HA H 1 4.232 0.003 . 1 . . . A 54 ALA HA . 19043 1 690 . 1 1 54 54 ALA HB1 H 1 1.583 0.004 . 1 . . . A 54 ALA HB1 . 19043 1 691 . 1 1 54 54 ALA HB2 H 1 1.583 0.004 . 1 . . . A 54 ALA HB2 . 19043 1 692 . 1 1 54 54 ALA HB3 H 1 1.583 0.004 . 1 . . . A 54 ALA HB3 . 19043 1 693 . 1 1 54 54 ALA C C 13 179.354 0.000 . 1 . . . A 54 ALA C . 19043 1 694 . 1 1 54 54 ALA CA C 13 54.341 0.029 . 1 . . . A 54 ALA CA . 19043 1 695 . 1 1 54 54 ALA CB C 13 18.605 0.056 . 1 . . . A 54 ALA CB . 19043 1 696 . 1 1 54 54 ALA N N 15 122.872 0.024 . 1 . . . A 54 ALA N . 19043 1 697 . 1 1 55 55 GLN H H 1 7.512 0.003 . 1 . . . A 55 GLN H . 19043 1 698 . 1 1 55 55 GLN HA H 1 4.378 0.003 . 1 . . . A 55 GLN HA . 19043 1 699 . 1 1 55 55 GLN HB2 H 1 2.475 0.013 . 2 . . . A 55 GLN HB2 . 19043 1 700 . 1 1 55 55 GLN HB3 H 1 1.771 0.005 . 2 . . . A 55 GLN HB3 . 19043 1 701 . 1 1 55 55 GLN HG2 H 1 2.622 0.004 . 2 . . . A 55 GLN HG2 . 19043 1 702 . 1 1 55 55 GLN HG3 H 1 2.310 0.015 . 2 . . . A 55 GLN HG3 . 19043 1 703 . 1 1 55 55 GLN HE21 H 1 8.862 0.003 . 1 . . . A 55 GLN HE21 . 19043 1 704 . 1 1 55 55 GLN HE22 H 1 7.248 0.007 . 1 . . . A 55 GLN HE22 . 19043 1 705 . 1 1 55 55 GLN C C 13 174.116 0.000 . 1 . . . A 55 GLN C . 19043 1 706 . 1 1 55 55 GLN CA C 13 54.954 0.029 . 1 . . . A 55 GLN CA . 19043 1 707 . 1 1 55 55 GLN CB C 13 28.224 0.027 . 1 . . . A 55 GLN CB . 19043 1 708 . 1 1 55 55 GLN CG C 13 35.848 0.105 . 1 . . . A 55 GLN CG . 19043 1 709 . 1 1 55 55 GLN N N 15 115.052 0.020 . 1 . . . A 55 GLN N . 19043 1 710 . 1 1 55 55 GLN NE2 N 15 111.264 0.014 . 1 . . . A 55 GLN NE2 . 19043 1 711 . 1 1 56 56 ALA H H 1 7.100 0.002 . 1 . . . A 56 ALA H . 19043 1 712 . 1 1 56 56 ALA HA H 1 4.348 0.004 . 1 . . . A 56 ALA HA . 19043 1 713 . 1 1 56 56 ALA HB1 H 1 1.428 0.004 . 1 . . . A 56 ALA HB1 . 19043 1 714 . 1 1 56 56 ALA HB2 H 1 1.428 0.004 . 1 . . . A 56 ALA HB2 . 19043 1 715 . 1 1 56 56 ALA HB3 H 1 1.428 0.004 . 1 . . . A 56 ALA HB3 . 19043 1 716 . 1 1 56 56 ALA CA C 13 51.037 0.024 . 1 . . . A 56 ALA CA . 19043 1 717 . 1 1 56 56 ALA CB C 13 17.979 0.049 . 1 . . . A 56 ALA CB . 19043 1 718 . 1 1 56 56 ALA N N 15 124.556 0.028 . 1 . . . A 56 ALA N . 19043 1 719 . 1 1 57 57 PRO HA H 1 4.412 0.004 . 1 . . . A 57 PRO HA . 19043 1 720 . 1 1 57 57 PRO HB2 H 1 2.299 0.005 . 2 . . . A 57 PRO HB2 . 19043 1 721 . 1 1 57 57 PRO HB3 H 1 1.954 0.003 . 2 . . . A 57 PRO HB3 . 19043 1 722 . 1 1 57 57 PRO HG2 H 1 2.067 0.016 . 2 . . . A 57 PRO HG2 . 19043 1 723 . 1 1 57 57 PRO HG3 H 1 2.066 0.016 . 2 . . . A 57 PRO HG3 . 19043 1 724 . 1 1 57 57 PRO HD2 H 1 3.784 0.004 . 2 . . . A 57 PRO HD2 . 19043 1 725 . 1 1 57 57 PRO HD3 H 1 3.619 0.002 . 2 . . . A 57 PRO HD3 . 19043 1 726 . 1 1 57 57 PRO C C 13 176.151 0.000 . 1 . . . A 57 PRO C . 19043 1 727 . 1 1 57 57 PRO CA C 13 63.283 0.038 . 1 . . . A 57 PRO CA . 19043 1 728 . 1 1 57 57 PRO CB C 13 31.993 0.063 . 1 . . . A 57 PRO CB . 19043 1 729 . 1 1 57 57 PRO CG C 13 27.510 0.022 . 1 . . . A 57 PRO CG . 19043 1 730 . 1 1 57 57 PRO CD C 13 50.587 0.032 . 1 . . . A 57 PRO CD . 19043 1 731 . 1 1 58 58 LYS H H 1 8.067 0.002 . 1 . . . A 58 LYS H . 19043 1 732 . 1 1 58 58 LYS HA H 1 4.172 0.002 . 1 . . . A 58 LYS HA . 19043 1 733 . 1 1 58 58 LYS HB2 H 1 1.848 0.003 . 2 . . . A 58 LYS HB2 . 19043 1 734 . 1 1 58 58 LYS HB3 H 1 1.693 0.002 . 2 . . . A 58 LYS HB3 . 19043 1 735 . 1 1 58 58 LYS HG2 H 1 1.432 0.006 . 1 . . . A 58 LYS HG2 . 19043 1 736 . 1 1 58 58 LYS HG3 H 1 1.432 0.005 . 1 . . . A 58 LYS HG3 . 19043 1 737 . 1 1 58 58 LYS HD2 H 1 1.678 0.000 . 1 . . . A 58 LYS HD2 . 19043 1 738 . 1 1 58 58 LYS HD3 H 1 1.678 0.000 . 1 . . . A 58 LYS HD3 . 19043 1 739 . 1 1 58 58 LYS HE2 H 1 3.022 0.004 . 1 . . . A 58 LYS HE2 . 19043 1 740 . 1 1 58 58 LYS HE3 H 1 3.022 0.004 . 1 . . . A 58 LYS HE3 . 19043 1 741 . 1 1 58 58 LYS CA C 13 57.460 0.051 . 1 . . . A 58 LYS CA . 19043 1 742 . 1 1 58 58 LYS CB C 13 33.821 0.015 . 1 . . . A 58 LYS CB . 19043 1 743 . 1 1 58 58 LYS CG C 13 24.676 0.010 . 1 . . . A 58 LYS CG . 19043 1 744 . 1 1 58 58 LYS CD C 13 28.898 0.000 . 1 . . . A 58 LYS CD . 19043 1 745 . 1 1 58 58 LYS CE C 13 42.433 0.007 . 1 . . . A 58 LYS CE . 19043 1 746 . 1 1 58 58 LYS N N 15 127.500 0.009 . 1 . . . A 58 LYS N . 19043 1 747 . 2 2 1 1 VAL HA H 1 4.081 0.002 . 1 . . . B 101 VAL HA . 19043 1 748 . 2 2 1 1 VAL HB H 1 2.085 0.007 . 1 . . . B 101 VAL HB . 19043 1 749 . 2 2 1 1 VAL HG11 H 1 0.903 0.006 . 2 . . . B 101 VAL HG11 . 19043 1 750 . 2 2 1 1 VAL HG12 H 1 0.903 0.006 . 2 . . . B 101 VAL HG12 . 19043 1 751 . 2 2 1 1 VAL HG13 H 1 0.903 0.006 . 2 . . . B 101 VAL HG13 . 19043 1 752 . 2 2 1 1 VAL HG21 H 1 0.903 0.005 . 2 . . . B 101 VAL HG21 . 19043 1 753 . 2 2 1 1 VAL HG22 H 1 0.903 0.005 . 2 . . . B 101 VAL HG22 . 19043 1 754 . 2 2 1 1 VAL HG23 H 1 0.903 0.005 . 2 . . . B 101 VAL HG23 . 19043 1 755 . 2 2 1 1 VAL C C 13 175.633 0.000 . 1 . . . B 101 VAL C . 19043 1 756 . 2 2 1 1 VAL CA C 13 62.525 0.012 . 1 . . . B 101 VAL CA . 19043 1 757 . 2 2 1 1 VAL CB C 13 32.930 0.119 . 1 . . . B 101 VAL CB . 19043 1 758 . 2 2 1 1 VAL CG1 C 13 20.200 0.000 . 2 . . . B 101 VAL CG1 . 19043 1 759 . 2 2 1 1 VAL CG2 C 13 21.379 0.036 . 2 . . . B 101 VAL CG2 . 19043 1 760 . 2 2 2 2 ASP H H 1 8.354 0.003 . 1 . . . B 102 ASP H . 19043 1 761 . 2 2 2 2 ASP HA H 1 4.602 0.003 . 1 . . . B 102 ASP HA . 19043 1 762 . 2 2 2 2 ASP HB2 H 1 2.718 0.004 . 2 . . . B 102 ASP HB2 . 19043 1 763 . 2 2 2 2 ASP HB3 H 1 2.646 0.002 . 2 . . . B 102 ASP HB3 . 19043 1 764 . 2 2 2 2 ASP C C 13 175.949 0.000 . 1 . . . B 102 ASP C . 19043 1 765 . 2 2 2 2 ASP CA C 13 54.201 0.010 . 1 . . . B 102 ASP CA . 19043 1 766 . 2 2 2 2 ASP CB C 13 41.242 0.016 . 1 . . . B 102 ASP CB . 19043 1 767 . 2 2 2 2 ASP N N 15 122.905 0.030 . 1 . . . B 102 ASP N . 19043 1 768 . 2 2 3 3 ASN H H 1 8.289 0.005 . 1 . . . B 103 ASN H . 19043 1 769 . 2 2 3 3 ASN HA H 1 4.618 0.004 . 1 . . . B 103 ASN HA . 19043 1 770 . 2 2 3 3 ASN HB2 H 1 2.790 0.003 . 1 . . . B 103 ASN HB2 . 19043 1 771 . 2 2 3 3 ASN HB3 H 1 2.790 0.003 . 1 . . . B 103 ASN HB3 . 19043 1 772 . 2 2 3 3 ASN HD21 H 1 7.599 0.004 . 1 . . . B 103 ASN HD21 . 19043 1 773 . 2 2 3 3 ASN HD22 H 1 6.906 0.003 . 1 . . . B 103 ASN HD22 . 19043 1 774 . 2 2 3 3 ASN C C 13 175.441 0.000 . 1 . . . B 103 ASN C . 19043 1 775 . 2 2 3 3 ASN CA C 13 53.599 0.071 . 1 . . . B 103 ASN CA . 19043 1 776 . 2 2 3 3 ASN CB C 13 38.820 0.015 . 1 . . . B 103 ASN CB . 19043 1 777 . 2 2 3 3 ASN N N 15 119.534 0.031 . 1 . . . B 103 ASN N . 19043 1 778 . 2 2 3 3 ASN ND2 N 15 112.439 0.038 . 1 . . . B 103 ASN ND2 . 19043 1 779 . 2 2 4 4 LYS H H 1 8.261 0.004 . 1 . . . B 104 LYS H . 19043 1 780 . 2 2 4 4 LYS HA H 1 4.119 0.003 . 1 . . . B 104 LYS HA . 19043 1 781 . 2 2 4 4 LYS HB2 H 1 1.636 0.006 . 1 . . . B 104 LYS HB2 . 19043 1 782 . 2 2 4 4 LYS HB3 H 1 1.636 0.006 . 1 . . . B 104 LYS HB3 . 19043 1 783 . 2 2 4 4 LYS HG2 H 1 1.202 0.009 . 2 . . . B 104 LYS HG2 . 19043 1 784 . 2 2 4 4 LYS HG3 H 1 1.182 0.008 . 2 . . . B 104 LYS HG3 . 19043 1 785 . 2 2 4 4 LYS HD2 H 1 1.574 0.003 . 1 . . . B 104 LYS HD2 . 19043 1 786 . 2 2 4 4 LYS HD3 H 1 1.574 0.003 . 1 . . . B 104 LYS HD3 . 19043 1 787 . 2 2 4 4 LYS HE2 H 1 2.916 0.002 . 1 . . . B 104 LYS HE2 . 19043 1 788 . 2 2 4 4 LYS HE3 H 1 2.917 0.002 . 1 . . . B 104 LYS HE3 . 19043 1 789 . 2 2 4 4 LYS C C 13 176.318 0.000 . 1 . . . B 104 LYS C . 19043 1 790 . 2 2 4 4 LYS CA C 13 57.232 0.060 . 1 . . . B 104 LYS CA . 19043 1 791 . 2 2 4 4 LYS CB C 13 32.786 0.049 . 1 . . . B 104 LYS CB . 19043 1 792 . 2 2 4 4 LYS CG C 13 24.525 0.026 . 1 . . . B 104 LYS CG . 19043 1 793 . 2 2 4 4 LYS CD C 13 29.158 0.069 . 1 . . . B 104 LYS CD . 19043 1 794 . 2 2 4 4 LYS CE C 13 42.040 0.010 . 1 . . . B 104 LYS CE . 19043 1 795 . 2 2 4 4 LYS N N 15 121.159 0.025 . 1 . . . B 104 LYS N . 19043 1 796 . 2 2 5 5 PHE H H 1 8.175 0.004 . 1 . . . B 105 PHE H . 19043 1 797 . 2 2 5 5 PHE HA H 1 4.678 0.004 . 1 . . . B 105 PHE HA . 19043 1 798 . 2 2 5 5 PHE HB2 H 1 3.176 0.008 . 2 . . . B 105 PHE HB2 . 19043 1 799 . 2 2 5 5 PHE HB3 H 1 2.917 0.004 . 2 . . . B 105 PHE HB3 . 19043 1 800 . 2 2 5 5 PHE HD1 H 1 7.168 0.005 . 3 . . . B 105 PHE HD1 . 19043 1 801 . 2 2 5 5 PHE HD2 H 1 7.168 0.005 . 3 . . . B 105 PHE HD2 . 19043 1 802 . 2 2 5 5 PHE HE1 H 1 7.106 0.006 . 3 . . . B 105 PHE HE1 . 19043 1 803 . 2 2 5 5 PHE HE2 H 1 7.106 0.006 . 3 . . . B 105 PHE HE2 . 19043 1 804 . 2 2 5 5 PHE C C 13 176.510 0.000 . 1 . . . B 105 PHE C . 19043 1 805 . 2 2 5 5 PHE CA C 13 57.161 0.005 . 1 . . . B 105 PHE CA . 19043 1 806 . 2 2 5 5 PHE CB C 13 39.182 0.071 . 1 . . . B 105 PHE CB . 19043 1 807 . 2 2 5 5 PHE CD1 C 13 132.800 0.047 . 3 . . . B 105 PHE CD1 . 19043 1 808 . 2 2 5 5 PHE CD2 C 13 132.800 0.047 . 3 . . . B 105 PHE CD2 . 19043 1 809 . 2 2 5 5 PHE CE1 C 13 130.641 0.028 . 3 . . . B 105 PHE CE1 . 19043 1 810 . 2 2 5 5 PHE CE2 C 13 130.641 0.028 . 3 . . . B 105 PHE CE2 . 19043 1 811 . 2 2 5 5 PHE N N 15 119.693 0.063 . 1 . . . B 105 PHE N . 19043 1 812 . 2 2 6 6 ASN H H 1 8.244 0.003 . 1 . . . B 106 ASN H . 19043 1 813 . 2 2 6 6 ASN HA H 1 4.610 0.002 . 1 . . . B 106 ASN HA . 19043 1 814 . 2 2 6 6 ASN HB2 H 1 3.116 0.008 . 2 . . . B 106 ASN HB2 . 19043 1 815 . 2 2 6 6 ASN HB3 H 1 2.924 0.004 . 2 . . . B 106 ASN HB3 . 19043 1 816 . 2 2 6 6 ASN HD21 H 1 7.647 0.004 . 1 . . . B 106 ASN HD21 . 19043 1 817 . 2 2 6 6 ASN HD22 H 1 7.054 0.007 . 1 . . . B 106 ASN HD22 . 19043 1 818 . 2 2 6 6 ASN C C 13 175.659 0.000 . 1 . . . B 106 ASN C . 19043 1 819 . 2 2 6 6 ASN CA C 13 53.475 0.063 . 1 . . . B 106 ASN CA . 19043 1 820 . 2 2 6 6 ASN CB C 13 39.059 0.049 . 1 . . . B 106 ASN CB . 19043 1 821 . 2 2 6 6 ASN N N 15 121.430 0.013 . 1 . . . B 106 ASN N . 19043 1 822 . 2 2 6 6 ASN ND2 N 15 112.651 0.015 . 1 . . . B 106 ASN ND2 . 19043 1 823 . 2 2 7 7 LYS H H 1 8.540 0.004 . 1 . . . B 107 LYS H . 19043 1 824 . 2 2 7 7 LYS HA H 1 3.927 0.002 . 1 . . . B 107 LYS HA . 19043 1 825 . 2 2 7 7 LYS HB2 H 1 1.870 0.002 . 2 . . . B 107 LYS HB2 . 19043 1 826 . 2 2 7 7 LYS HB3 H 1 1.793 0.001 . 2 . . . B 107 LYS HB3 . 19043 1 827 . 2 2 7 7 LYS HG2 H 1 1.432 0.004 . 2 . . . B 107 LYS HG2 . 19043 1 828 . 2 2 7 7 LYS HG3 H 1 1.354 0.003 . 2 . . . B 107 LYS HG3 . 19043 1 829 . 2 2 7 7 LYS HD2 H 1 1.643 0.005 . 1 . . . B 107 LYS HD2 . 19043 1 830 . 2 2 7 7 LYS HD3 H 1 1.643 0.005 . 1 . . . B 107 LYS HD3 . 19043 1 831 . 2 2 7 7 LYS HE2 H 1 2.954 0.007 . 1 . . . B 107 LYS HE2 . 19043 1 832 . 2 2 7 7 LYS HE3 H 1 2.952 0.008 . 1 . . . B 107 LYS HE3 . 19043 1 833 . 2 2 7 7 LYS C C 13 178.071 0.000 . 1 . . . B 107 LYS C . 19043 1 834 . 2 2 7 7 LYS CA C 13 59.671 0.053 . 1 . . . B 107 LYS CA . 19043 1 835 . 2 2 7 7 LYS CB C 13 32.550 0.025 . 1 . . . B 107 LYS CB . 19043 1 836 . 2 2 7 7 LYS CG C 13 24.534 0.027 . 1 . . . B 107 LYS CG . 19043 1 837 . 2 2 7 7 LYS CD C 13 29.315 0.013 . 1 . . . B 107 LYS CD . 19043 1 838 . 2 2 7 7 LYS CE C 13 42.022 0.019 . 1 . . . B 107 LYS CE . 19043 1 839 . 2 2 7 7 LYS N N 15 121.780 0.016 . 1 . . . B 107 LYS N . 19043 1 840 . 2 2 8 8 GLU H H 1 8.679 0.002 . 1 . . . B 108 GLU H . 19043 1 841 . 2 2 8 8 GLU HA H 1 4.139 0.006 . 1 . . . B 108 GLU HA . 19043 1 842 . 2 2 8 8 GLU HB2 H 1 2.161 0.010 . 2 . . . B 108 GLU HB2 . 19043 1 843 . 2 2 8 8 GLU HB3 H 1 2.062 0.010 . 2 . . . B 108 GLU HB3 . 19043 1 844 . 2 2 8 8 GLU HG2 H 1 2.406 0.009 . 2 . . . B 108 GLU HG2 . 19043 1 845 . 2 2 8 8 GLU HG3 H 1 2.352 0.008 . 2 . . . B 108 GLU HG3 . 19043 1 846 . 2 2 8 8 GLU C C 13 179.648 0.000 . 1 . . . B 108 GLU C . 19043 1 847 . 2 2 8 8 GLU CA C 13 59.962 0.054 . 1 . . . B 108 GLU CA . 19043 1 848 . 2 2 8 8 GLU CB C 13 28.860 0.071 . 1 . . . B 108 GLU CB . 19043 1 849 . 2 2 8 8 GLU CG C 13 36.884 0.118 . 1 . . . B 108 GLU CG . 19043 1 850 . 2 2 8 8 GLU N N 15 119.045 0.011 . 1 . . . B 108 GLU N . 19043 1 851 . 2 2 9 9 THR H H 1 8.246 0.004 . 1 . . . B 109 THR H . 19043 1 852 . 2 2 9 9 THR HA H 1 4.006 0.004 . 1 . . . B 109 THR HA . 19043 1 853 . 2 2 9 9 THR HB H 1 4.106 0.004 . 1 . . . B 109 THR HB . 19043 1 854 . 2 2 9 9 THR HG21 H 1 1.123 0.005 . 1 . . . B 109 THR HG21 . 19043 1 855 . 2 2 9 9 THR HG22 H 1 1.123 0.005 . 1 . . . B 109 THR HG22 . 19043 1 856 . 2 2 9 9 THR HG23 H 1 1.123 0.005 . 1 . . . B 109 THR HG23 . 19043 1 857 . 2 2 9 9 THR C C 13 177.306 0.000 . 1 . . . B 109 THR C . 19043 1 858 . 2 2 9 9 THR CA C 13 66.247 0.035 . 1 . . . B 109 THR CA . 19043 1 859 . 2 2 9 9 THR CB C 13 68.359 0.067 . 1 . . . B 109 THR CB . 19043 1 860 . 2 2 9 9 THR CG2 C 13 22.625 0.040 . 1 . . . B 109 THR CG2 . 19043 1 861 . 2 2 9 9 THR N N 15 116.761 0.017 . 1 . . . B 109 THR N . 19043 1 862 . 2 2 10 10 GLN H H 1 8.387 0.004 . 1 . . . B 110 GLN H . 19043 1 863 . 2 2 10 10 GLN HA H 1 3.979 0.006 . 1 . . . B 110 GLN HA . 19043 1 864 . 2 2 10 10 GLN HB2 H 1 2.155 0.006 . 1 . . . B 110 GLN HB2 . 19043 1 865 . 2 2 10 10 GLN HB3 H 1 2.157 0.005 . 1 . . . B 110 GLN HB3 . 19043 1 866 . 2 2 10 10 GLN HG2 H 1 2.159 0.006 . 1 . . . B 110 GLN HG2 . 19043 1 867 . 2 2 10 10 GLN HG3 H 1 2.159 0.004 . 1 . . . B 110 GLN HG3 . 19043 1 868 . 2 2 10 10 GLN HE21 H 1 6.775 0.003 . 1 . . . B 110 GLN HE21 . 19043 1 869 . 2 2 10 10 GLN HE22 H 1 6.486 0.004 . 1 . . . B 110 GLN HE22 . 19043 1 870 . 2 2 10 10 GLN C C 13 178.561 0.000 . 1 . . . B 110 GLN C . 19043 1 871 . 2 2 10 10 GLN CA C 13 59.997 0.060 . 1 . . . B 110 GLN CA . 19043 1 872 . 2 2 10 10 GLN CB C 13 28.820 0.140 . 1 . . . B 110 GLN CB . 19043 1 873 . 2 2 10 10 GLN CG C 13 34.286 0.024 . 1 . . . B 110 GLN CG . 19043 1 874 . 2 2 10 10 GLN N N 15 123.460 0.043 . 1 . . . B 110 GLN N . 19043 1 875 . 2 2 10 10 GLN NE2 N 15 110.502 0.030 . 1 . . . B 110 GLN NE2 . 19043 1 876 . 2 2 11 11 GLU H H 1 8.546 0.002 . 1 . . . B 111 GLU H . 19043 1 877 . 2 2 11 11 GLU HA H 1 4.342 0.002 . 1 . . . B 111 GLU HA . 19043 1 878 . 2 2 11 11 GLU HB2 H 1 2.163 0.006 . 1 . . . B 111 GLU HB2 . 19043 1 879 . 2 2 11 11 GLU HB3 H 1 2.163 0.006 . 1 . . . B 111 GLU HB3 . 19043 1 880 . 2 2 11 11 GLU HG2 H 1 2.572 0.002 . 2 . . . B 111 GLU HG2 . 19043 1 881 . 2 2 11 11 GLU HG3 H 1 2.370 0.010 . 2 . . . B 111 GLU HG3 . 19043 1 882 . 2 2 11 11 GLU C C 13 179.414 0.000 . 1 . . . B 111 GLU C . 19043 1 883 . 2 2 11 11 GLU CA C 13 59.626 0.075 . 1 . . . B 111 GLU CA . 19043 1 884 . 2 2 11 11 GLU CB C 13 29.199 0.124 . 1 . . . B 111 GLU CB . 19043 1 885 . 2 2 11 11 GLU CG C 13 36.740 0.122 . 1 . . . B 111 GLU CG . 19043 1 886 . 2 2 11 11 GLU N N 15 120.438 0.016 . 1 . . . B 111 GLU N . 19043 1 887 . 2 2 12 12 ALA H H 1 8.404 0.008 . 1 . . . B 112 ALA H . 19043 1 888 . 2 2 12 12 ALA HA H 1 4.269 0.007 . 1 . . . B 112 ALA HA . 19043 1 889 . 2 2 12 12 ALA HB1 H 1 1.525 0.007 . 1 . . . B 112 ALA HB1 . 19043 1 890 . 2 2 12 12 ALA HB2 H 1 1.525 0.007 . 1 . . . B 112 ALA HB2 . 19043 1 891 . 2 2 12 12 ALA HB3 H 1 1.525 0.007 . 1 . . . B 112 ALA HB3 . 19043 1 892 . 2 2 12 12 ALA C C 13 179.487 0.000 . 1 . . . B 112 ALA C . 19043 1 893 . 2 2 12 12 ALA CA C 13 55.419 0.047 . 1 . . . B 112 ALA CA . 19043 1 894 . 2 2 12 12 ALA CB C 13 18.339 0.087 . 1 . . . B 112 ALA CB . 19043 1 895 . 2 2 12 12 ALA N N 15 122.570 0.065 . 1 . . . B 112 ALA N . 19043 1 896 . 2 2 13 13 SER H H 1 8.230 0.004 . 1 . . . B 113 SER H . 19043 1 897 . 2 2 13 13 SER HA H 1 4.050 0.005 . 1 . . . B 113 SER HA . 19043 1 898 . 2 2 13 13 SER HB2 H 1 4.353 0.008 . 2 . . . B 113 SER HB2 . 19043 1 899 . 2 2 13 13 SER HB3 H 1 4.125 0.010 . 2 . . . B 113 SER HB3 . 19043 1 900 . 2 2 13 13 SER C C 13 175.434 0.000 . 1 . . . B 113 SER C . 19043 1 901 . 2 2 13 13 SER CA C 13 63.182 0.070 . 1 . . . B 113 SER CA . 19043 1 902 . 2 2 13 13 SER CB C 13 62.770 0.107 . 1 . . . B 113 SER CB . 19043 1 903 . 2 2 13 13 SER N N 15 112.712 0.014 . 1 . . . B 113 SER N . 19043 1 904 . 2 2 14 14 TRP H H 1 7.884 0.004 . 1 . . . B 114 TRP H . 19043 1 905 . 2 2 14 14 TRP HA H 1 4.251 0.006 . 1 . . . B 114 TRP HA . 19043 1 906 . 2 2 14 14 TRP HB2 H 1 3.500 0.009 . 2 . . . B 114 TRP HB2 . 19043 1 907 . 2 2 14 14 TRP HB3 H 1 3.406 0.004 . 2 . . . B 114 TRP HB3 . 19043 1 908 . 2 2 14 14 TRP HD1 H 1 7.212 0.004 . 1 . . . B 114 TRP HD1 . 19043 1 909 . 2 2 14 14 TRP HE1 H 1 9.864 0.004 . 1 . . . B 114 TRP HE1 . 19043 1 910 . 2 2 14 14 TRP HE3 H 1 6.193 0.006 . 1 . . . B 114 TRP HE3 . 19043 1 911 . 2 2 14 14 TRP HZ2 H 1 7.246 0.006 . 1 . . . B 114 TRP HZ2 . 19043 1 912 . 2 2 14 14 TRP HZ3 H 1 5.786 0.007 . 1 . . . B 114 TRP HZ3 . 19043 1 913 . 2 2 14 14 TRP HH2 H 1 6.681 0.006 . 1 . . . B 114 TRP HH2 . 19043 1 914 . 2 2 14 14 TRP C C 13 177.041 0.000 . 1 . . . B 114 TRP C . 19043 1 915 . 2 2 14 14 TRP CA C 13 58.733 0.053 . 1 . . . B 114 TRP CA . 19043 1 916 . 2 2 14 14 TRP CB C 13 30.368 0.020 . 1 . . . B 114 TRP CB . 19043 1 917 . 2 2 14 14 TRP CD1 C 13 128.178 0.059 . 1 . . . B 114 TRP CD1 . 19043 1 918 . 2 2 14 14 TRP CE3 C 13 121.677 0.040 . 1 . . . B 114 TRP CE3 . 19043 1 919 . 2 2 14 14 TRP CZ2 C 13 115.966 0.032 . 1 . . . B 114 TRP CZ2 . 19043 1 920 . 2 2 14 14 TRP CZ3 C 13 123.521 0.054 . 1 . . . B 114 TRP CZ3 . 19043 1 921 . 2 2 14 14 TRP CH2 C 13 123.803 0.043 . 1 . . . B 114 TRP CH2 . 19043 1 922 . 2 2 14 14 TRP N N 15 123.584 0.020 . 1 . . . B 114 TRP N . 19043 1 923 . 2 2 14 14 TRP NE1 N 15 128.590 0.012 . 1 . . . B 114 TRP NE1 . 19043 1 924 . 2 2 15 15 GLU H H 1 8.137 0.003 . 1 . . . B 115 GLU H . 19043 1 925 . 2 2 15 15 GLU HA H 1 3.568 0.004 . 1 . . . B 115 GLU HA . 19043 1 926 . 2 2 15 15 GLU HB2 H 1 2.146 0.005 . 2 . . . B 115 GLU HB2 . 19043 1 927 . 2 2 15 15 GLU HB3 H 1 2.012 0.006 . 2 . . . B 115 GLU HB3 . 19043 1 928 . 2 2 15 15 GLU HG2 H 1 2.344 0.005 . 2 . . . B 115 GLU HG2 . 19043 1 929 . 2 2 15 15 GLU HG3 H 1 2.139 0.004 . 2 . . . B 115 GLU HG3 . 19043 1 930 . 2 2 15 15 GLU C C 13 178.408 0.000 . 1 . . . B 115 GLU C . 19043 1 931 . 2 2 15 15 GLU CA C 13 59.818 0.040 . 1 . . . B 115 GLU CA . 19043 1 932 . 2 2 15 15 GLU CB C 13 29.024 0.067 . 1 . . . B 115 GLU CB . 19043 1 933 . 2 2 15 15 GLU CG C 13 36.270 0.050 . 1 . . . B 115 GLU CG . 19043 1 934 . 2 2 15 15 GLU N N 15 119.876 0.014 . 1 . . . B 115 GLU N . 19043 1 935 . 2 2 16 16 ILE H H 1 7.693 0.004 . 1 . . . B 116 ILE H . 19043 1 936 . 2 2 16 16 ILE HA H 1 3.383 0.010 . 1 . . . B 116 ILE HA . 19043 1 937 . 2 2 16 16 ILE HB H 1 1.829 0.006 . 1 . . . B 116 ILE HB . 19043 1 938 . 2 2 16 16 ILE HG12 H 1 2.012 0.008 . 2 . . . B 116 ILE HG12 . 19043 1 939 . 2 2 16 16 ILE HG13 H 1 0.451 0.013 . 2 . . . B 116 ILE HG13 . 19043 1 940 . 2 2 16 16 ILE HG21 H 1 0.805 0.008 . 1 . . . B 116 ILE HG21 . 19043 1 941 . 2 2 16 16 ILE HG22 H 1 0.805 0.008 . 1 . . . B 116 ILE HG22 . 19043 1 942 . 2 2 16 16 ILE HG23 H 1 0.805 0.008 . 1 . . . B 116 ILE HG23 . 19043 1 943 . 2 2 16 16 ILE HD11 H 1 0.603 0.005 . 1 . . . B 116 ILE HD11 . 19043 1 944 . 2 2 16 16 ILE HD12 H 1 0.603 0.005 . 1 . . . B 116 ILE HD12 . 19043 1 945 . 2 2 16 16 ILE HD13 H 1 0.603 0.005 . 1 . . . B 116 ILE HD13 . 19043 1 946 . 2 2 16 16 ILE C C 13 176.424 0.000 . 1 . . . B 116 ILE C . 19043 1 947 . 2 2 16 16 ILE CA C 13 64.987 0.022 . 1 . . . B 116 ILE CA . 19043 1 948 . 2 2 16 16 ILE CB C 13 38.242 0.025 . 1 . . . B 116 ILE CB . 19043 1 949 . 2 2 16 16 ILE CG1 C 13 30.173 0.019 . 1 . . . B 116 ILE CG1 . 19043 1 950 . 2 2 16 16 ILE CG2 C 13 17.367 0.044 . 1 . . . B 116 ILE CG2 . 19043 1 951 . 2 2 16 16 ILE CD1 C 13 13.386 0.029 . 1 . . . B 116 ILE CD1 . 19043 1 952 . 2 2 16 16 ILE N N 15 116.061 0.024 . 1 . . . B 116 ILE N . 19043 1 953 . 2 2 17 17 PHE H H 1 8.029 0.006 . 1 . . . B 117 PHE H . 19043 1 954 . 2 2 17 17 PHE HA H 1 3.536 0.008 . 1 . . . B 117 PHE HA . 19043 1 955 . 2 2 17 17 PHE HB2 H 1 2.692 0.005 . 2 . . . B 117 PHE HB2 . 19043 1 956 . 2 2 17 17 PHE HB3 H 1 2.234 0.008 . 2 . . . B 117 PHE HB3 . 19043 1 957 . 2 2 17 17 PHE HD1 H 1 6.155 0.009 . 3 . . . B 117 PHE HD1 . 19043 1 958 . 2 2 17 17 PHE HD2 H 1 6.155 0.009 . 3 . . . B 117 PHE HD2 . 19043 1 959 . 2 2 17 17 PHE HE1 H 1 6.997 0.009 . 3 . . . B 117 PHE HE1 . 19043 1 960 . 2 2 17 17 PHE HE2 H 1 6.997 0.009 . 3 . . . B 117 PHE HE2 . 19043 1 961 . 2 2 17 17 PHE HZ H 1 6.803 0.008 . 1 . . . B 117 PHE HZ . 19043 1 962 . 2 2 17 17 PHE C C 13 175.655 0.000 . 1 . . . B 117 PHE C . 19043 1 963 . 2 2 17 17 PHE CA C 13 61.739 0.050 . 1 . . . B 117 PHE CA . 19043 1 964 . 2 2 17 17 PHE CB C 13 39.907 0.042 . 1 . . . B 117 PHE CB . 19043 1 965 . 2 2 17 17 PHE CD1 C 13 133.847 0.059 . 3 . . . B 117 PHE CD1 . 19043 1 966 . 2 2 17 17 PHE CD2 C 13 133.847 0.059 . 3 . . . B 117 PHE CD2 . 19043 1 967 . 2 2 17 17 PHE CE1 C 13 131.203 0.038 . 3 . . . B 117 PHE CE1 . 19043 1 968 . 2 2 17 17 PHE CE2 C 13 131.203 0.038 . 3 . . . B 117 PHE CE2 . 19043 1 969 . 2 2 17 17 PHE CZ C 13 129.156 0.027 . 1 . . . B 117 PHE CZ . 19043 1 970 . 2 2 17 17 PHE N N 15 117.129 0.035 . 1 . . . B 117 PHE N . 19043 1 971 . 2 2 18 18 THR H H 1 7.216 0.014 . 1 . . . B 118 THR H . 19043 1 972 . 2 2 18 18 THR HA H 1 3.322 0.008 . 1 . . . B 118 THR HA . 19043 1 973 . 2 2 18 18 THR HB H 1 3.922 0.006 . 1 . . . B 118 THR HB . 19043 1 974 . 2 2 18 18 THR HG21 H 1 -0.062 0.007 . 1 . . . B 118 THR HG21 . 19043 1 975 . 2 2 18 18 THR HG22 H 1 -0.062 0.007 . 1 . . . B 118 THR HG22 . 19043 1 976 . 2 2 18 18 THR HG23 H 1 -0.062 0.007 . 1 . . . B 118 THR HG23 . 19043 1 977 . 2 2 18 18 THR C C 13 174.751 0.000 . 1 . . . B 118 THR C . 19043 1 978 . 2 2 18 18 THR CA C 13 61.342 0.031 . 1 . . . B 118 THR CA . 19043 1 979 . 2 2 18 18 THR CB C 13 69.894 0.040 . 1 . . . B 118 THR CB . 19043 1 980 . 2 2 18 18 THR CG2 C 13 21.333 0.019 . 1 . . . B 118 THR CG2 . 19043 1 981 . 2 2 18 18 THR N N 15 102.492 0.033 . 1 . . . B 118 THR N . 19043 1 982 . 2 2 19 19 LEU H H 1 7.278 0.007 . 1 . . . B 119 LEU H . 19043 1 983 . 2 2 19 19 LEU HA H 1 4.216 0.004 . 1 . . . B 119 LEU HA . 19043 1 984 . 2 2 19 19 LEU HB2 H 1 1.692 0.007 . 2 . . . B 119 LEU HB2 . 19043 1 985 . 2 2 19 19 LEU HB3 H 1 1.136 0.005 . 2 . . . B 119 LEU HB3 . 19043 1 986 . 2 2 19 19 LEU HG H 1 2.157 0.006 . 1 . . . B 119 LEU HG . 19043 1 987 . 2 2 19 19 LEU HD11 H 1 0.760 0.009 . 2 . . . B 119 LEU HD11 . 19043 1 988 . 2 2 19 19 LEU HD12 H 1 0.760 0.009 . 2 . . . B 119 LEU HD12 . 19043 1 989 . 2 2 19 19 LEU HD13 H 1 0.760 0.009 . 2 . . . B 119 LEU HD13 . 19043 1 990 . 2 2 19 19 LEU HD21 H 1 0.682 0.009 . 2 . . . B 119 LEU HD21 . 19043 1 991 . 2 2 19 19 LEU HD22 H 1 0.682 0.009 . 2 . . . B 119 LEU HD22 . 19043 1 992 . 2 2 19 19 LEU HD23 H 1 0.682 0.009 . 2 . . . B 119 LEU HD23 . 19043 1 993 . 2 2 19 19 LEU CA C 13 53.895 0.051 . 1 . . . B 119 LEU CA . 19043 1 994 . 2 2 19 19 LEU CB C 13 39.176 0.128 . 1 . . . B 119 LEU CB . 19043 1 995 . 2 2 19 19 LEU CG C 13 25.731 0.097 . 1 . . . B 119 LEU CG . 19043 1 996 . 2 2 19 19 LEU CD1 C 13 23.711 0.085 . 2 . . . B 119 LEU CD1 . 19043 1 997 . 2 2 19 19 LEU CD2 C 13 27.661 0.026 . 2 . . . B 119 LEU CD2 . 19043 1 998 . 2 2 19 19 LEU N N 15 127.557 0.024 . 1 . . . B 119 LEU N . 19043 1 999 . 2 2 20 20 PRO HA H 1 4.172 0.010 . 1 . . . B 120 PRO HA . 19043 1 1000 . 2 2 20 20 PRO HB2 H 1 2.255 0.003 . 2 . . . B 120 PRO HB2 . 19043 1 1001 . 2 2 20 20 PRO HB3 H 1 1.929 0.009 . 2 . . . B 120 PRO HB3 . 19043 1 1002 . 2 2 20 20 PRO HG2 H 1 2.131 0.013 . 2 . . . B 120 PRO HG2 . 19043 1 1003 . 2 2 20 20 PRO HG3 H 1 1.959 0.009 . 2 . . . B 120 PRO HG3 . 19043 1 1004 . 2 2 20 20 PRO HD2 H 1 3.843 0.010 . 2 . . . B 120 PRO HD2 . 19043 1 1005 . 2 2 20 20 PRO HD3 H 1 3.620 0.007 . 2 . . . B 120 PRO HD3 . 19043 1 1006 . 2 2 20 20 PRO C C 13 177.864 0.000 . 1 . . . B 120 PRO C . 19043 1 1007 . 2 2 20 20 PRO CA C 13 65.144 0.056 . 1 . . . B 120 PRO CA . 19043 1 1008 . 2 2 20 20 PRO CB C 13 32.297 0.065 . 1 . . . B 120 PRO CB . 19043 1 1009 . 2 2 20 20 PRO CG C 13 27.629 0.137 . 1 . . . B 120 PRO CG . 19043 1 1010 . 2 2 20 20 PRO CD C 13 51.289 0.065 . 1 . . . B 120 PRO CD . 19043 1 1011 . 2 2 21 21 ASN H H 1 8.886 0.004 . 1 . . . B 121 ASN H . 19043 1 1012 . 2 2 21 21 ASN HA H 1 4.965 0.006 . 1 . . . B 121 ASN HA . 19043 1 1013 . 2 2 21 21 ASN HB2 H 1 2.894 0.007 . 2 . . . B 121 ASN HB2 . 19043 1 1014 . 2 2 21 21 ASN HB3 H 1 2.774 0.010 . 2 . . . B 121 ASN HB3 . 19043 1 1015 . 2 2 21 21 ASN HD21 H 1 7.353 0.009 . 1 . . . B 121 ASN HD21 . 19043 1 1016 . 2 2 21 21 ASN HD22 H 1 6.956 0.004 . 1 . . . B 121 ASN HD22 . 19043 1 1017 . 2 2 21 21 ASN C C 13 175.486 0.000 . 1 . . . B 121 ASN C . 19043 1 1018 . 2 2 21 21 ASN CA C 13 52.268 0.005 . 1 . . . B 121 ASN CA . 19043 1 1019 . 2 2 21 21 ASN CB C 13 38.740 0.018 . 1 . . . B 121 ASN CB . 19043 1 1020 . 2 2 21 21 ASN N N 15 113.599 0.019 . 1 . . . B 121 ASN N . 19043 1 1021 . 2 2 21 21 ASN ND2 N 15 114.763 0.056 . 1 . . . B 121 ASN ND2 . 19043 1 1022 . 2 2 22 22 LEU H H 1 6.663 0.003 . 1 . . . B 122 LEU H . 19043 1 1023 . 2 2 22 22 LEU HA H 1 4.575 0.003 . 1 . . . B 122 LEU HA . 19043 1 1024 . 2 2 22 22 LEU HB2 H 1 1.498 0.007 . 1 . . . B 122 LEU HB2 . 19043 1 1025 . 2 2 22 22 LEU HB3 H 1 1.498 0.007 . 1 . . . B 122 LEU HB3 . 19043 1 1026 . 2 2 22 22 LEU HG H 1 1.650 0.008 . 1 . . . B 122 LEU HG . 19043 1 1027 . 2 2 22 22 LEU HD11 H 1 0.912 0.010 . 2 . . . B 122 LEU HD11 . 19043 1 1028 . 2 2 22 22 LEU HD12 H 1 0.912 0.010 . 2 . . . B 122 LEU HD12 . 19043 1 1029 . 2 2 22 22 LEU HD13 H 1 0.912 0.010 . 2 . . . B 122 LEU HD13 . 19043 1 1030 . 2 2 22 22 LEU HD21 H 1 0.750 0.005 . 2 . . . B 122 LEU HD21 . 19043 1 1031 . 2 2 22 22 LEU HD22 H 1 0.750 0.005 . 2 . . . B 122 LEU HD22 . 19043 1 1032 . 2 2 22 22 LEU HD23 H 1 0.750 0.005 . 2 . . . B 122 LEU HD23 . 19043 1 1033 . 2 2 22 22 LEU C C 13 175.916 0.000 . 1 . . . B 122 LEU C . 19043 1 1034 . 2 2 22 22 LEU CA C 13 53.482 0.085 . 1 . . . B 122 LEU CA . 19043 1 1035 . 2 2 22 22 LEU CB C 13 44.054 0.040 . 1 . . . B 122 LEU CB . 19043 1 1036 . 2 2 22 22 LEU CG C 13 27.441 0.026 . 1 . . . B 122 LEU CG . 19043 1 1037 . 2 2 22 22 LEU CD1 C 13 26.811 0.059 . 2 . . . B 122 LEU CD1 . 19043 1 1038 . 2 2 22 22 LEU CD2 C 13 22.626 0.058 . 2 . . . B 122 LEU CD2 . 19043 1 1039 . 2 2 22 22 LEU N N 15 118.780 0.022 . 1 . . . B 122 LEU N . 19043 1 1040 . 2 2 23 23 ASN H H 1 8.242 0.005 . 1 . . . B 123 ASN H . 19043 1 1041 . 2 2 23 23 ASN HA H 1 4.918 0.006 . 1 . . . B 123 ASN HA . 19043 1 1042 . 2 2 23 23 ASN HB2 H 1 3.309 0.003 . 2 . . . B 123 ASN HB2 . 19043 1 1043 . 2 2 23 23 ASN HB3 H 1 2.824 0.005 . 2 . . . B 123 ASN HB3 . 19043 1 1044 . 2 2 23 23 ASN HD21 H 1 7.432 0.004 . 1 . . . B 123 ASN HD21 . 19043 1 1045 . 2 2 23 23 ASN HD22 H 1 6.698 0.007 . 1 . . . B 123 ASN HD22 . 19043 1 1046 . 2 2 23 23 ASN C C 13 175.988 0.000 . 1 . . . B 123 ASN C . 19043 1 1047 . 2 2 23 23 ASN CA C 13 50.718 0.028 . 1 . . . B 123 ASN CA . 19043 1 1048 . 2 2 23 23 ASN CB C 13 39.752 0.059 . 1 . . . B 123 ASN CB . 19043 1 1049 . 2 2 23 23 ASN N N 15 117.712 0.021 . 1 . . . B 123 ASN N . 19043 1 1050 . 2 2 23 23 ASN ND2 N 15 110.333 0.018 . 1 . . . B 123 ASN ND2 . 19043 1 1051 . 2 2 24 24 GLY H H 1 9.535 0.005 . 1 . . . B 124 GLY H . 19043 1 1052 . 2 2 24 24 GLY HA2 H 1 4.182 0.005 . 2 . . . B 124 GLY HA2 . 19043 1 1053 . 2 2 24 24 GLY HA3 H 1 3.557 0.008 . 2 . . . B 124 GLY HA3 . 19043 1 1054 . 2 2 24 24 GLY C C 13 175.187 0.000 . 1 . . . B 124 GLY C . 19043 1 1055 . 2 2 24 24 GLY CA C 13 48.874 0.044 . 1 . . . B 124 GLY CA . 19043 1 1056 . 2 2 24 24 GLY N N 15 108.706 0.058 . 1 . . . B 124 GLY N . 19043 1 1057 . 2 2 25 25 ARG H H 1 8.604 0.004 . 1 . . . B 125 ARG H . 19043 1 1058 . 2 2 25 25 ARG HA H 1 3.863 0.007 . 1 . . . B 125 ARG HA . 19043 1 1059 . 2 2 25 25 ARG HB2 H 1 1.798 0.003 . 1 . . . B 125 ARG HB2 . 19043 1 1060 . 2 2 25 25 ARG HB3 H 1 1.799 0.004 . 1 . . . B 125 ARG HB3 . 19043 1 1061 . 2 2 25 25 ARG HG2 H 1 1.668 0.006 . 2 . . . B 125 ARG HG2 . 19043 1 1062 . 2 2 25 25 ARG HG3 H 1 1.540 0.006 . 2 . . . B 125 ARG HG3 . 19043 1 1063 . 2 2 25 25 ARG HD2 H 1 3.156 0.003 . 1 . . . B 125 ARG HD2 . 19043 1 1064 . 2 2 25 25 ARG HD3 H 1 3.156 0.003 . 1 . . . B 125 ARG HD3 . 19043 1 1065 . 2 2 25 25 ARG HE H 1 7.271 0.010 . 1 . . . B 125 ARG HE . 19043 1 1066 . 2 2 25 25 ARG C C 13 179.564 0.000 . 1 . . . B 125 ARG C . 19043 1 1067 . 2 2 25 25 ARG CA C 13 59.683 0.052 . 1 . . . B 125 ARG CA . 19043 1 1068 . 2 2 25 25 ARG CB C 13 29.491 0.032 . 1 . . . B 125 ARG CB . 19043 1 1069 . 2 2 25 25 ARG CG C 13 27.483 0.022 . 1 . . . B 125 ARG CG . 19043 1 1070 . 2 2 25 25 ARG CD C 13 43.256 0.021 . 1 . . . B 125 ARG CD . 19043 1 1071 . 2 2 25 25 ARG N N 15 123.822 0.023 . 1 . . . B 125 ARG N . 19043 1 1072 . 2 2 25 25 ARG NE N 15 111.135 0.000 . 1 . . . B 125 ARG NE . 19043 1 1073 . 2 2 26 26 GLN H H 1 8.307 0.004 . 1 . . . B 126 GLN H . 19043 1 1074 . 2 2 26 26 GLN HA H 1 3.996 0.005 . 1 . . . B 126 GLN HA . 19043 1 1075 . 2 2 26 26 GLN HB2 H 1 2.486 0.006 . 1 . . . B 126 GLN HB2 . 19043 1 1076 . 2 2 26 26 GLN HB3 H 1 2.486 0.007 . 1 . . . B 126 GLN HB3 . 19043 1 1077 . 2 2 26 26 GLN HG2 H 1 2.797 0.003 . 2 . . . B 126 GLN HG2 . 19043 1 1078 . 2 2 26 26 GLN HG3 H 1 2.255 0.005 . 2 . . . B 126 GLN HG3 . 19043 1 1079 . 2 2 26 26 GLN HE21 H 1 8.064 0.005 . 1 . . . B 126 GLN HE21 . 19043 1 1080 . 2 2 26 26 GLN HE22 H 1 7.567 0.011 . 1 . . . B 126 GLN HE22 . 19043 1 1081 . 2 2 26 26 GLN C C 13 179.175 0.000 . 1 . . . B 126 GLN C . 19043 1 1082 . 2 2 26 26 GLN CA C 13 58.637 0.055 . 1 . . . B 126 GLN CA . 19043 1 1083 . 2 2 26 26 GLN CB C 13 29.277 0.076 . 1 . . . B 126 GLN CB . 19043 1 1084 . 2 2 26 26 GLN CG C 13 34.654 0.051 . 1 . . . B 126 GLN CG . 19043 1 1085 . 2 2 26 26 GLN N N 15 118.374 0.016 . 1 . . . B 126 GLN N . 19043 1 1086 . 2 2 26 26 GLN NE2 N 15 112.726 0.032 . 1 . . . B 126 GLN NE2 . 19043 1 1087 . 2 2 27 27 VAL H H 1 8.601 0.003 . 1 . . . B 127 VAL H . 19043 1 1088 . 2 2 27 27 VAL HA H 1 3.931 0.006 . 1 . . . B 127 VAL HA . 19043 1 1089 . 2 2 27 27 VAL HB H 1 2.123 0.007 . 1 . . . B 127 VAL HB . 19043 1 1090 . 2 2 27 27 VAL HG11 H 1 1.040 0.007 . 2 . . . B 127 VAL HG11 . 19043 1 1091 . 2 2 27 27 VAL HG12 H 1 1.040 0.007 . 2 . . . B 127 VAL HG12 . 19043 1 1092 . 2 2 27 27 VAL HG13 H 1 1.040 0.007 . 2 . . . B 127 VAL HG13 . 19043 1 1093 . 2 2 27 27 VAL HG21 H 1 1.025 0.006 . 2 . . . B 127 VAL HG21 . 19043 1 1094 . 2 2 27 27 VAL HG22 H 1 1.025 0.006 . 2 . . . B 127 VAL HG22 . 19043 1 1095 . 2 2 27 27 VAL HG23 H 1 1.025 0.006 . 2 . . . B 127 VAL HG23 . 19043 1 1096 . 2 2 27 27 VAL C C 13 177.766 0.000 . 1 . . . B 127 VAL C . 19043 1 1097 . 2 2 27 27 VAL CA C 13 66.528 0.065 . 1 . . . B 127 VAL CA . 19043 1 1098 . 2 2 27 27 VAL CB C 13 31.584 0.107 . 1 . . . B 127 VAL CB . 19043 1 1099 . 2 2 27 27 VAL CG1 C 13 21.885 0.037 . 2 . . . B 127 VAL CG1 . 19043 1 1100 . 2 2 27 27 VAL CG2 C 13 24.231 0.101 . 2 . . . B 127 VAL CG2 . 19043 1 1101 . 2 2 27 27 VAL N N 15 113.893 0.017 . 1 . . . B 127 VAL N . 19043 1 1102 . 2 2 28 28 ALA H H 1 8.476 0.003 . 1 . . . B 128 ALA H . 19043 1 1103 . 2 2 28 28 ALA HA H 1 4.040 0.008 . 1 . . . B 128 ALA HA . 19043 1 1104 . 2 2 28 28 ALA HB1 H 1 1.514 0.006 . 1 . . . B 128 ALA HB1 . 19043 1 1105 . 2 2 28 28 ALA HB2 H 1 1.514 0.006 . 1 . . . B 128 ALA HB2 . 19043 1 1106 . 2 2 28 28 ALA HB3 H 1 1.514 0.006 . 1 . . . B 128 ALA HB3 . 19043 1 1107 . 2 2 28 28 ALA C C 13 179.001 0.000 . 1 . . . B 128 ALA C . 19043 1 1108 . 2 2 28 28 ALA CA C 13 55.819 0.098 . 1 . . . B 128 ALA CA . 19043 1 1109 . 2 2 28 28 ALA CB C 13 18.686 0.048 . 1 . . . B 128 ALA CB . 19043 1 1110 . 2 2 28 28 ALA N N 15 121.924 0.058 . 1 . . . B 128 ALA N . 19043 1 1111 . 2 2 29 29 ALA H H 1 7.536 0.005 . 1 . . . B 129 ALA H . 19043 1 1112 . 2 2 29 29 ALA HA H 1 4.077 0.002 . 1 . . . B 129 ALA HA . 19043 1 1113 . 2 2 29 29 ALA HB1 H 1 1.324 0.005 . 1 . . . B 129 ALA HB1 . 19043 1 1114 . 2 2 29 29 ALA HB2 H 1 1.324 0.005 . 1 . . . B 129 ALA HB2 . 19043 1 1115 . 2 2 29 29 ALA HB3 H 1 1.324 0.005 . 1 . . . B 129 ALA HB3 . 19043 1 1116 . 2 2 29 29 ALA C C 13 181.054 0.000 . 1 . . . B 129 ALA C . 19043 1 1117 . 2 2 29 29 ALA CA C 13 55.269 0.039 . 1 . . . B 129 ALA CA . 19043 1 1118 . 2 2 29 29 ALA CB C 13 17.949 0.031 . 1 . . . B 129 ALA CB . 19043 1 1119 . 2 2 29 29 ALA N N 15 120.052 0.021 . 1 . . . B 129 ALA N . 19043 1 1120 . 2 2 30 30 PHE H H 1 7.710 0.006 . 1 . . . B 130 PHE H . 19043 1 1121 . 2 2 30 30 PHE HA H 1 4.445 0.005 . 1 . . . B 130 PHE HA . 19043 1 1122 . 2 2 30 30 PHE HB2 H 1 3.092 0.012 . 2 . . . B 130 PHE HB2 . 19043 1 1123 . 2 2 30 30 PHE HB3 H 1 3.067 0.011 . 2 . . . B 130 PHE HB3 . 19043 1 1124 . 2 2 30 30 PHE HD1 H 1 7.272 0.004 . 3 . . . B 130 PHE HD1 . 19043 1 1125 . 2 2 30 30 PHE HD2 H 1 7.272 0.004 . 3 . . . B 130 PHE HD2 . 19043 1 1126 . 2 2 30 30 PHE HE1 H 1 7.159 0.008 . 3 . . . B 130 PHE HE1 . 19043 1 1127 . 2 2 30 30 PHE HE2 H 1 7.159 0.008 . 3 . . . B 130 PHE HE2 . 19043 1 1128 . 2 2 30 30 PHE C C 13 178.304 0.000 . 1 . . . B 130 PHE C . 19043 1 1129 . 2 2 30 30 PHE CA C 13 61.947 0.070 . 1 . . . B 130 PHE CA . 19043 1 1130 . 2 2 30 30 PHE CB C 13 40.569 0.087 . 1 . . . B 130 PHE CB . 19043 1 1131 . 2 2 30 30 PHE CD1 C 13 132.701 0.122 . 3 . . . B 130 PHE CD1 . 19043 1 1132 . 2 2 30 30 PHE CD2 C 13 132.701 0.122 . 3 . . . B 130 PHE CD2 . 19043 1 1133 . 2 2 30 30 PHE CE1 C 13 130.706 0.042 . 3 . . . B 130 PHE CE1 . 19043 1 1134 . 2 2 30 30 PHE CE2 C 13 130.706 0.042 . 3 . . . B 130 PHE CE2 . 19043 1 1135 . 2 2 30 30 PHE N N 15 116.205 0.009 . 1 . . . B 130 PHE N . 19043 1 1136 . 2 2 31 31 ILE H H 1 8.758 0.007 . 1 . . . B 131 ILE H . 19043 1 1137 . 2 2 31 31 ILE HA H 1 3.708 0.003 . 1 . . . B 131 ILE HA . 19043 1 1138 . 2 2 31 31 ILE HB H 1 2.046 0.009 . 1 . . . B 131 ILE HB . 19043 1 1139 . 2 2 31 31 ILE HG12 H 1 1.359 0.006 . 2 . . . B 131 ILE HG12 . 19043 1 1140 . 2 2 31 31 ILE HG13 H 1 2.050 0.003 . 2 . . . B 131 ILE HG13 . 19043 1 1141 . 2 2 31 31 ILE HG21 H 1 1.001 0.009 . 1 . . . B 131 ILE HG21 . 19043 1 1142 . 2 2 31 31 ILE HG22 H 1 1.001 0.009 . 1 . . . B 131 ILE HG22 . 19043 1 1143 . 2 2 31 31 ILE HG23 H 1 1.001 0.009 . 1 . . . B 131 ILE HG23 . 19043 1 1144 . 2 2 31 31 ILE HD11 H 1 1.241 0.008 . 1 . . . B 131 ILE HD11 . 19043 1 1145 . 2 2 31 31 ILE HD12 H 1 1.241 0.008 . 1 . . . B 131 ILE HD12 . 19043 1 1146 . 2 2 31 31 ILE HD13 H 1 1.241 0.008 . 1 . . . B 131 ILE HD13 . 19043 1 1147 . 2 2 31 31 ILE C C 13 177.096 0.000 . 1 . . . B 131 ILE C . 19043 1 1148 . 2 2 31 31 ILE CA C 13 65.214 0.057 . 1 . . . B 131 ILE CA . 19043 1 1149 . 2 2 31 31 ILE CB C 13 37.569 0.021 . 1 . . . B 131 ILE CB . 19043 1 1150 . 2 2 31 31 ILE CG1 C 13 30.848 0.071 . 1 . . . B 131 ILE CG1 . 19043 1 1151 . 2 2 31 31 ILE CG2 C 13 17.654 0.022 . 1 . . . B 131 ILE CG2 . 19043 1 1152 . 2 2 31 31 ILE CD1 C 13 14.594 0.022 . 1 . . . B 131 ILE CD1 . 19043 1 1153 . 2 2 31 31 ILE N N 15 118.872 0.031 . 1 . . . B 131 ILE N . 19043 1 1154 . 2 2 32 32 SER H H 1 8.711 0.009 . 1 . . . B 132 SER H . 19043 1 1155 . 2 2 32 32 SER HA H 1 4.115 0.014 . 1 . . . B 132 SER HA . 19043 1 1156 . 2 2 32 32 SER HB2 H 1 4.112 0.004 . 2 . . . B 132 SER HB2 . 19043 1 1157 . 2 2 32 32 SER HB3 H 1 4.044 0.008 . 2 . . . B 132 SER HB3 . 19043 1 1158 . 2 2 32 32 SER C C 13 177.978 0.000 . 1 . . . B 132 SER C . 19043 1 1159 . 2 2 32 32 SER CA C 13 62.864 0.101 . 1 . . . B 132 SER CA . 19043 1 1160 . 2 2 32 32 SER CB C 13 62.588 0.035 . 1 . . . B 132 SER CB . 19043 1 1161 . 2 2 32 32 SER N N 15 115.599 0.014 . 1 . . . B 132 SER N . 19043 1 1162 . 2 2 33 33 SER H H 1 7.651 0.005 . 1 . . . B 133 SER H . 19043 1 1163 . 2 2 33 33 SER HA H 1 4.252 0.001 . 1 . . . B 133 SER HA . 19043 1 1164 . 2 2 33 33 SER HB2 H 1 4.129 0.011 . 2 . . . B 133 SER HB2 . 19043 1 1165 . 2 2 33 33 SER HB3 H 1 3.966 0.007 . 2 . . . B 133 SER HB3 . 19043 1 1166 . 2 2 33 33 SER C C 13 175.874 0.000 . 1 . . . B 133 SER C . 19043 1 1167 . 2 2 33 33 SER CA C 13 62.343 0.108 . 1 . . . B 133 SER CA . 19043 1 1168 . 2 2 33 33 SER CB C 13 63.057 0.101 . 1 . . . B 133 SER CB . 19043 1 1169 . 2 2 33 33 SER N N 15 116.208 0.014 . 1 . . . B 133 SER N . 19043 1 1170 . 2 2 34 34 LEU H H 1 8.079 0.006 . 1 . . . B 134 LEU H . 19043 1 1171 . 2 2 34 34 LEU HA H 1 3.721 0.005 . 1 . . . B 134 LEU HA . 19043 1 1172 . 2 2 34 34 LEU HB2 H 1 2.096 0.004 . 2 . . . B 134 LEU HB2 . 19043 1 1173 . 2 2 34 34 LEU HB3 H 1 1.555 0.009 . 2 . . . B 134 LEU HB3 . 19043 1 1174 . 2 2 34 34 LEU HG H 1 1.558 0.009 . 1 . . . B 134 LEU HG . 19043 1 1175 . 2 2 34 34 LEU HD11 H 1 0.918 0.005 . 2 . . . B 134 LEU HD11 . 19043 1 1176 . 2 2 34 34 LEU HD12 H 1 0.918 0.005 . 2 . . . B 134 LEU HD12 . 19043 1 1177 . 2 2 34 34 LEU HD13 H 1 0.918 0.005 . 2 . . . B 134 LEU HD13 . 19043 1 1178 . 2 2 34 34 LEU HD21 H 1 0.903 0.008 . 2 . . . B 134 LEU HD21 . 19043 1 1179 . 2 2 34 34 LEU HD22 H 1 0.903 0.008 . 2 . . . B 134 LEU HD22 . 19043 1 1180 . 2 2 34 34 LEU HD23 H 1 0.903 0.008 . 2 . . . B 134 LEU HD23 . 19043 1 1181 . 2 2 34 34 LEU C C 13 177.132 0.000 . 1 . . . B 134 LEU C . 19043 1 1182 . 2 2 34 34 LEU CA C 13 58.307 0.045 . 1 . . . B 134 LEU CA . 19043 1 1183 . 2 2 34 34 LEU CB C 13 42.177 0.042 . 1 . . . B 134 LEU CB . 19043 1 1184 . 2 2 34 34 LEU CG C 13 27.771 0.142 . 1 . . . B 134 LEU CG . 19043 1 1185 . 2 2 34 34 LEU CD1 C 13 26.369 0.046 . 2 . . . B 134 LEU CD1 . 19043 1 1186 . 2 2 34 34 LEU CD2 C 13 25.528 0.065 . 2 . . . B 134 LEU CD2 . 19043 1 1187 . 2 2 34 34 LEU N N 15 126.264 0.026 . 1 . . . B 134 LEU N . 19043 1 1188 . 2 2 35 35 LEU H H 1 8.272 0.003 . 1 . . . B 135 LEU H . 19043 1 1189 . 2 2 35 35 LEU HA H 1 3.890 0.003 . 1 . . . B 135 LEU HA . 19043 1 1190 . 2 2 35 35 LEU HB2 H 1 1.781 0.006 . 2 . . . B 135 LEU HB2 . 19043 1 1191 . 2 2 35 35 LEU HB3 H 1 1.393 0.004 . 2 . . . B 135 LEU HB3 . 19043 1 1192 . 2 2 35 35 LEU HG H 1 1.861 0.007 . 1 . . . B 135 LEU HG . 19043 1 1193 . 2 2 35 35 LEU HD11 H 1 0.730 0.006 . 2 . . . B 135 LEU HD11 . 19043 1 1194 . 2 2 35 35 LEU HD12 H 1 0.730 0.006 . 2 . . . B 135 LEU HD12 . 19043 1 1195 . 2 2 35 35 LEU HD13 H 1 0.730 0.006 . 2 . . . B 135 LEU HD13 . 19043 1 1196 . 2 2 35 35 LEU HD21 H 1 0.536 0.007 . 2 . . . B 135 LEU HD21 . 19043 1 1197 . 2 2 35 35 LEU HD22 H 1 0.536 0.007 . 2 . . . B 135 LEU HD22 . 19043 1 1198 . 2 2 35 35 LEU HD23 H 1 0.536 0.007 . 2 . . . B 135 LEU HD23 . 19043 1 1199 . 2 2 35 35 LEU C C 13 179.621 0.000 . 1 . . . B 135 LEU C . 19043 1 1200 . 2 2 35 35 LEU CA C 13 57.070 0.056 . 1 . . . B 135 LEU CA . 19043 1 1201 . 2 2 35 35 LEU CB C 13 40.880 0.026 . 1 . . . B 135 LEU CB . 19043 1 1202 . 2 2 35 35 LEU CG C 13 26.924 0.053 . 1 . . . B 135 LEU CG . 19043 1 1203 . 2 2 35 35 LEU CD1 C 13 25.198 0.028 . 2 . . . B 135 LEU CD1 . 19043 1 1204 . 2 2 35 35 LEU CD2 C 13 21.928 0.019 . 2 . . . B 135 LEU CD2 . 19043 1 1205 . 2 2 35 35 LEU N N 15 115.408 0.030 . 1 . . . B 135 LEU N . 19043 1 1206 . 2 2 36 36 ASP H H 1 7.511 0.004 . 1 . . . B 136 ASP H . 19043 1 1207 . 2 2 36 36 ASP HA H 1 4.493 0.004 . 1 . . . B 136 ASP HA . 19043 1 1208 . 2 2 36 36 ASP HB2 H 1 2.814 0.001 . 2 . . . B 136 ASP HB2 . 19043 1 1209 . 2 2 36 36 ASP HB3 H 1 2.698 0.003 . 2 . . . B 136 ASP HB3 . 19043 1 1210 . 2 2 36 36 ASP C C 13 176.779 0.000 . 1 . . . B 136 ASP C . 19043 1 1211 . 2 2 36 36 ASP CA C 13 56.486 0.070 . 1 . . . B 136 ASP CA . 19043 1 1212 . 2 2 36 36 ASP CB C 13 41.827 0.053 . 1 . . . B 136 ASP CB . 19043 1 1213 . 2 2 36 36 ASP N N 15 117.270 0.020 . 1 . . . B 136 ASP N . 19043 1 1214 . 2 2 37 37 ASP H H 1 7.394 0.003 . 1 . . . B 137 ASP H . 19043 1 1215 . 2 2 37 37 ASP HA H 1 4.871 0.004 . 1 . . . B 137 ASP HA . 19043 1 1216 . 2 2 37 37 ASP HB2 H 1 2.971 0.003 . 2 . . . B 137 ASP HB2 . 19043 1 1217 . 2 2 37 37 ASP HB3 H 1 2.560 0.002 . 2 . . . B 137 ASP HB3 . 19043 1 1218 . 2 2 37 37 ASP CA C 13 51.687 0.000 . 1 . . . B 137 ASP CA . 19043 1 1219 . 2 2 37 37 ASP CB C 13 40.551 0.070 . 1 . . . B 137 ASP CB . 19043 1 1220 . 2 2 37 37 ASP N N 15 112.911 0.019 . 1 . . . B 137 ASP N . 19043 1 1221 . 2 2 38 38 PRO HA H 1 4.516 0.005 . 1 . . . B 138 PRO HA . 19043 1 1222 . 2 2 38 38 PRO HB2 H 1 2.452 0.003 . 2 . . . B 138 PRO HB2 . 19043 1 1223 . 2 2 38 38 PRO HB3 H 1 1.936 0.005 . 2 . . . B 138 PRO HB3 . 19043 1 1224 . 2 2 38 38 PRO HG2 H 1 2.101 0.011 . 2 . . . B 138 PRO HG2 . 19043 1 1225 . 2 2 38 38 PRO HG3 H 1 2.049 0.012 . 2 . . . B 138 PRO HG3 . 19043 1 1226 . 2 2 38 38 PRO HD2 H 1 3.779 0.006 . 2 . . . B 138 PRO HD2 . 19043 1 1227 . 2 2 38 38 PRO HD3 H 1 3.654 0.004 . 2 . . . B 138 PRO HD3 . 19043 1 1228 . 2 2 38 38 PRO C C 13 178.961 0.000 . 1 . . . B 138 PRO C . 19043 1 1229 . 2 2 38 38 PRO CA C 13 64.397 0.037 . 1 . . . B 138 PRO CA . 19043 1 1230 . 2 2 38 38 PRO CB C 13 32.393 0.038 . 1 . . . B 138 PRO CB . 19043 1 1231 . 2 2 38 38 PRO CG C 13 27.340 0.081 . 1 . . . B 138 PRO CG . 19043 1 1232 . 2 2 38 38 PRO CD C 13 50.496 0.031 . 1 . . . B 138 PRO CD . 19043 1 1233 . 2 2 39 39 SER H H 1 8.091 0.005 . 1 . . . B 139 SER H . 19043 1 1234 . 2 2 39 39 SER HA H 1 4.341 0.003 . 1 . . . B 139 SER HA . 19043 1 1235 . 2 2 39 39 SER HB2 H 1 4.044 0.004 . 2 . . . B 139 SER HB2 . 19043 1 1236 . 2 2 39 39 SER HB3 H 1 3.961 0.006 . 2 . . . B 139 SER HB3 . 19043 1 1237 . 2 2 39 39 SER C C 13 176.233 0.000 . 1 . . . B 139 SER C . 19043 1 1238 . 2 2 39 39 SER CA C 13 61.241 0.051 . 1 . . . B 139 SER CA . 19043 1 1239 . 2 2 39 39 SER CB C 13 62.615 0.044 . 1 . . . B 139 SER CB . 19043 1 1240 . 2 2 39 39 SER N N 15 115.015 0.018 . 1 . . . B 139 SER N . 19043 1 1241 . 2 2 40 40 GLN H H 1 8.039 0.003 . 1 . . . B 140 GLN H . 19043 1 1242 . 2 2 40 40 GLN HA H 1 4.595 0.006 . 1 . . . B 140 GLN HA . 19043 1 1243 . 2 2 40 40 GLN HB2 H 1 2.656 0.006 . 2 . . . B 140 GLN HB2 . 19043 1 1244 . 2 2 40 40 GLN HB3 H 1 2.006 0.005 . 2 . . . B 140 GLN HB3 . 19043 1 1245 . 2 2 40 40 GLN HG2 H 1 2.451 0.003 . 2 . . . B 140 GLN HG2 . 19043 1 1246 . 2 2 40 40 GLN HG3 H 1 2.294 0.004 . 2 . . . B 140 GLN HG3 . 19043 1 1247 . 2 2 40 40 GLN HE21 H 1 7.529 0.003 . 1 . . . B 140 GLN HE21 . 19043 1 1248 . 2 2 40 40 GLN HE22 H 1 6.860 0.002 . 1 . . . B 140 GLN HE22 . 19043 1 1249 . 2 2 40 40 GLN C C 13 176.108 0.000 . 1 . . . B 140 GLN C . 19043 1 1250 . 2 2 40 40 GLN CA C 13 55.092 0.098 . 1 . . . B 140 GLN CA . 19043 1 1251 . 2 2 40 40 GLN CB C 13 28.241 0.083 . 1 . . . B 140 GLN CB . 19043 1 1252 . 2 2 40 40 GLN CG C 13 33.732 0.060 . 1 . . . B 140 GLN CG . 19043 1 1253 . 2 2 40 40 GLN N N 15 120.156 0.011 . 1 . . . B 140 GLN N . 19043 1 1254 . 2 2 40 40 GLN NE2 N 15 114.360 0.028 . 1 . . . B 140 GLN NE2 . 19043 1 1255 . 2 2 41 41 SER H H 1 7.539 0.005 . 1 . . . B 141 SER H . 19043 1 1256 . 2 2 41 41 SER HA H 1 3.770 0.007 . 1 . . . B 141 SER HA . 19043 1 1257 . 2 2 41 41 SER HB2 H 1 3.932 0.004 . 2 . . . B 141 SER HB2 . 19043 1 1258 . 2 2 41 41 SER HB3 H 1 3.827 0.006 . 2 . . . B 141 SER HB3 . 19043 1 1259 . 2 2 41 41 SER C C 13 174.634 0.000 . 1 . . . B 141 SER C . 19043 1 1260 . 2 2 41 41 SER CA C 13 63.273 0.102 . 1 . . . B 141 SER CA . 19043 1 1261 . 2 2 41 41 SER CB C 13 62.581 0.039 . 1 . . . B 141 SER CB . 19043 1 1262 . 2 2 41 41 SER N N 15 115.047 0.016 . 1 . . . B 141 SER N . 19043 1 1263 . 2 2 42 42 ALA H H 1 8.472 0.005 . 1 . . . B 142 ALA H . 19043 1 1264 . 2 2 42 42 ALA HA H 1 4.114 0.005 . 1 . . . B 142 ALA HA . 19043 1 1265 . 2 2 42 42 ALA HB1 H 1 1.418 0.004 . 1 . . . B 142 ALA HB1 . 19043 1 1266 . 2 2 42 42 ALA HB2 H 1 1.418 0.004 . 1 . . . B 142 ALA HB2 . 19043 1 1267 . 2 2 42 42 ALA HB3 H 1 1.418 0.004 . 1 . . . B 142 ALA HB3 . 19043 1 1268 . 2 2 42 42 ALA C C 13 181.045 0.000 . 1 . . . B 142 ALA C . 19043 1 1269 . 2 2 42 42 ALA CA C 13 55.614 0.044 . 1 . . . B 142 ALA CA . 19043 1 1270 . 2 2 42 42 ALA CB C 13 17.917 0.028 . 1 . . . B 142 ALA CB . 19043 1 1271 . 2 2 42 42 ALA N N 15 122.325 0.040 . 1 . . . B 142 ALA N . 19043 1 1272 . 2 2 43 43 ASN H H 1 7.989 0.003 . 1 . . . B 143 ASN H . 19043 1 1273 . 2 2 43 43 ASN HA H 1 4.498 0.003 . 1 . . . B 143 ASN HA . 19043 1 1274 . 2 2 43 43 ASN HB2 H 1 2.876 0.002 . 1 . . . B 143 ASN HB2 . 19043 1 1275 . 2 2 43 43 ASN HB3 H 1 2.876 0.002 . 1 . . . B 143 ASN HB3 . 19043 1 1276 . 2 2 43 43 ASN HD21 H 1 7.747 0.002 . 1 . . . B 143 ASN HD21 . 19043 1 1277 . 2 2 43 43 ASN HD22 H 1 7.003 0.003 . 1 . . . B 143 ASN HD22 . 19043 1 1278 . 2 2 43 43 ASN C C 13 177.899 0.000 . 1 . . . B 143 ASN C . 19043 1 1279 . 2 2 43 43 ASN CA C 13 55.901 0.073 . 1 . . . B 143 ASN CA . 19043 1 1280 . 2 2 43 43 ASN CB C 13 38.174 0.039 . 1 . . . B 143 ASN CB . 19043 1 1281 . 2 2 43 43 ASN N N 15 118.230 0.021 . 1 . . . B 143 ASN N . 19043 1 1282 . 2 2 43 43 ASN ND2 N 15 112.822 0.046 . 1 . . . B 143 ASN ND2 . 19043 1 1283 . 2 2 44 44 LEU H H 1 8.625 0.003 . 1 . . . B 144 LEU H . 19043 1 1284 . 2 2 44 44 LEU HA H 1 4.146 0.007 . 1 . . . B 144 LEU HA . 19043 1 1285 . 2 2 44 44 LEU HB2 H 1 1.792 0.004 . 2 . . . B 144 LEU HB2 . 19043 1 1286 . 2 2 44 44 LEU HB3 H 1 1.232 0.004 . 2 . . . B 144 LEU HB3 . 19043 1 1287 . 2 2 44 44 LEU HG H 1 1.852 0.007 . 1 . . . B 144 LEU HG . 19043 1 1288 . 2 2 44 44 LEU HD11 H 1 1.119 0.006 . 2 . . . B 144 LEU HD11 . 19043 1 1289 . 2 2 44 44 LEU HD12 H 1 1.119 0.006 . 2 . . . B 144 LEU HD12 . 19043 1 1290 . 2 2 44 44 LEU HD13 H 1 1.119 0.006 . 2 . . . B 144 LEU HD13 . 19043 1 1291 . 2 2 44 44 LEU HD21 H 1 0.812 0.004 . 2 . . . B 144 LEU HD21 . 19043 1 1292 . 2 2 44 44 LEU HD22 H 1 0.812 0.004 . 2 . . . B 144 LEU HD22 . 19043 1 1293 . 2 2 44 44 LEU HD23 H 1 0.812 0.004 . 2 . . . B 144 LEU HD23 . 19043 1 1294 . 2 2 44 44 LEU C C 13 178.531 0.000 . 1 . . . B 144 LEU C . 19043 1 1295 . 2 2 44 44 LEU CA C 13 57.946 0.053 . 1 . . . B 144 LEU CA . 19043 1 1296 . 2 2 44 44 LEU CB C 13 42.398 0.057 . 1 . . . B 144 LEU CB . 19043 1 1297 . 2 2 44 44 LEU CG C 13 27.405 0.050 . 1 . . . B 144 LEU CG . 19043 1 1298 . 2 2 44 44 LEU CD1 C 13 23.181 0.053 . 2 . . . B 144 LEU CD1 . 19043 1 1299 . 2 2 44 44 LEU CD2 C 13 26.437 0.042 . 2 . . . B 144 LEU CD2 . 19043 1 1300 . 2 2 44 44 LEU N N 15 121.872 0.012 . 1 . . . B 144 LEU N . 19043 1 1301 . 2 2 45 45 LEU H H 1 8.459 0.003 . 1 . . . B 145 LEU H . 19043 1 1302 . 2 2 45 45 LEU HA H 1 3.751 0.005 . 1 . . . B 145 LEU HA . 19043 1 1303 . 2 2 45 45 LEU HB2 H 1 1.632 0.006 . 1 . . . B 145 LEU HB2 . 19043 1 1304 . 2 2 45 45 LEU HB3 H 1 1.631 0.006 . 1 . . . B 145 LEU HB3 . 19043 1 1305 . 2 2 45 45 LEU HG H 1 1.503 0.008 . 1 . . . B 145 LEU HG . 19043 1 1306 . 2 2 45 45 LEU HD11 H 1 0.859 0.012 . 2 . . . B 145 LEU HD11 . 19043 1 1307 . 2 2 45 45 LEU HD12 H 1 0.859 0.012 . 2 . . . B 145 LEU HD12 . 19043 1 1308 . 2 2 45 45 LEU HD13 H 1 0.859 0.012 . 2 . . . B 145 LEU HD13 . 19043 1 1309 . 2 2 45 45 LEU HD21 H 1 0.835 0.009 . 2 . . . B 145 LEU HD21 . 19043 1 1310 . 2 2 45 45 LEU HD22 H 1 0.835 0.009 . 2 . . . B 145 LEU HD22 . 19043 1 1311 . 2 2 45 45 LEU HD23 H 1 0.835 0.009 . 2 . . . B 145 LEU HD23 . 19043 1 1312 . 2 2 45 45 LEU C C 13 178.321 0.000 . 1 . . . B 145 LEU C . 19043 1 1313 . 2 2 45 45 LEU CA C 13 58.356 0.052 . 1 . . . B 145 LEU CA . 19043 1 1314 . 2 2 45 45 LEU CB C 13 41.890 0.006 . 1 . . . B 145 LEU CB . 19043 1 1315 . 2 2 45 45 LEU CG C 13 27.727 0.097 . 1 . . . B 145 LEU CG . 19043 1 1316 . 2 2 45 45 LEU CD1 C 13 25.051 0.024 . 2 . . . B 145 LEU CD1 . 19043 1 1317 . 2 2 45 45 LEU CD2 C 13 24.160 0.027 . 2 . . . B 145 LEU CD2 . 19043 1 1318 . 2 2 45 45 LEU N N 15 119.745 0.017 . 1 . . . B 145 LEU N . 19043 1 1319 . 2 2 46 46 ALA H H 1 7.556 0.005 . 1 . . . B 146 ALA H . 19043 1 1320 . 2 2 46 46 ALA HA H 1 4.021 0.003 . 1 . . . B 146 ALA HA . 19043 1 1321 . 2 2 46 46 ALA HB1 H 1 1.519 0.002 . 1 . . . B 146 ALA HB1 . 19043 1 1322 . 2 2 46 46 ALA HB2 H 1 1.519 0.002 . 1 . . . B 146 ALA HB2 . 19043 1 1323 . 2 2 46 46 ALA HB3 H 1 1.519 0.002 . 1 . . . B 146 ALA HB3 . 19043 1 1324 . 2 2 46 46 ALA C C 13 181.173 0.000 . 1 . . . B 146 ALA C . 19043 1 1325 . 2 2 46 46 ALA CA C 13 55.293 0.049 . 1 . . . B 146 ALA CA . 19043 1 1326 . 2 2 46 46 ALA CB C 13 17.947 0.112 . 1 . . . B 146 ALA CB . 19043 1 1327 . 2 2 46 46 ALA N N 15 119.551 0.018 . 1 . . . B 146 ALA N . 19043 1 1328 . 2 2 47 47 GLU H H 1 8.163 0.004 . 1 . . . B 147 GLU H . 19043 1 1329 . 2 2 47 47 GLU HA H 1 3.973 0.006 . 1 . . . B 147 GLU HA . 19043 1 1330 . 2 2 47 47 GLU HB2 H 1 2.199 0.005 . 1 . . . B 147 GLU HB2 . 19043 1 1331 . 2 2 47 47 GLU HB3 H 1 2.199 0.005 . 1 . . . B 147 GLU HB3 . 19043 1 1332 . 2 2 47 47 GLU HG2 H 1 2.495 0.003 . 2 . . . B 147 GLU HG2 . 19043 1 1333 . 2 2 47 47 GLU HG3 H 1 2.418 0.007 . 2 . . . B 147 GLU HG3 . 19043 1 1334 . 2 2 47 47 GLU C C 13 179.133 0.000 . 1 . . . B 147 GLU C . 19043 1 1335 . 2 2 47 47 GLU CA C 13 59.261 0.027 . 1 . . . B 147 GLU CA . 19043 1 1336 . 2 2 47 47 GLU CB C 13 29.747 0.044 . 1 . . . B 147 GLU CB . 19043 1 1337 . 2 2 47 47 GLU CG C 13 36.106 0.053 . 1 . . . B 147 GLU CG . 19043 1 1338 . 2 2 47 47 GLU N N 15 119.881 0.018 . 1 . . . B 147 GLU N . 19043 1 1339 . 2 2 48 48 ALA H H 1 8.483 0.003 . 1 . . . B 148 ALA H . 19043 1 1340 . 2 2 48 48 ALA HA H 1 3.438 0.002 . 1 . . . B 148 ALA HA . 19043 1 1341 . 2 2 48 48 ALA HB1 H 1 0.514 0.005 . 1 . . . B 148 ALA HB1 . 19043 1 1342 . 2 2 48 48 ALA HB2 H 1 0.514 0.005 . 1 . . . B 148 ALA HB2 . 19043 1 1343 . 2 2 48 48 ALA HB3 H 1 0.514 0.005 . 1 . . . B 148 ALA HB3 . 19043 1 1344 . 2 2 48 48 ALA C C 13 179.491 0.000 . 1 . . . B 148 ALA C . 19043 1 1345 . 2 2 48 48 ALA CA C 13 55.201 0.025 . 1 . . . B 148 ALA CA . 19043 1 1346 . 2 2 48 48 ALA CB C 13 17.525 0.017 . 1 . . . B 148 ALA CB . 19043 1 1347 . 2 2 48 48 ALA N N 15 124.332 0.021 . 1 . . . B 148 ALA N . 19043 1 1348 . 2 2 49 49 LYS H H 1 8.371 0.004 . 1 . . . B 149 LYS H . 19043 1 1349 . 2 2 49 49 LYS HA H 1 3.739 0.002 . 1 . . . B 149 LYS HA . 19043 1 1350 . 2 2 49 49 LYS HB2 H 1 1.909 0.008 . 2 . . . B 149 LYS HB2 . 19043 1 1351 . 2 2 49 49 LYS HB3 H 1 1.786 0.007 . 2 . . . B 149 LYS HB3 . 19043 1 1352 . 2 2 49 49 LYS HG2 H 1 1.590 0.004 . 2 . . . B 149 LYS HG2 . 19043 1 1353 . 2 2 49 49 LYS HG3 H 1 1.306 0.003 . 2 . . . B 149 LYS HG3 . 19043 1 1354 . 2 2 49 49 LYS HD2 H 1 1.597 0.018 . 2 . . . B 149 LYS HD2 . 19043 1 1355 . 2 2 49 49 LYS HD3 H 1 1.598 0.018 . 2 . . . B 149 LYS HD3 . 19043 1 1356 . 2 2 49 49 LYS HE2 H 1 2.871 0.003 . 2 . . . B 149 LYS HE2 . 19043 1 1357 . 2 2 49 49 LYS HE3 H 1 2.758 0.004 . 2 . . . B 149 LYS HE3 . 19043 1 1358 . 2 2 49 49 LYS C C 13 178.933 0.000 . 1 . . . B 149 LYS C . 19043 1 1359 . 2 2 49 49 LYS CA C 13 60.273 0.052 . 1 . . . B 149 LYS CA . 19043 1 1360 . 2 2 49 49 LYS CB C 13 32.336 0.068 . 1 . . . B 149 LYS CB . 19043 1 1361 . 2 2 49 49 LYS CG C 13 26.962 0.034 . 1 . . . B 149 LYS CG . 19043 1 1362 . 2 2 49 49 LYS CD C 13 29.407 0.053 . 1 . . . B 149 LYS CD . 19043 1 1363 . 2 2 49 49 LYS CE C 13 41.981 0.044 . 1 . . . B 149 LYS CE . 19043 1 1364 . 2 2 49 49 LYS N N 15 118.389 0.019 . 1 . . . B 149 LYS N . 19043 1 1365 . 2 2 50 50 LYS H H 1 7.764 0.004 . 1 . . . B 150 LYS H . 19043 1 1366 . 2 2 50 50 LYS HA H 1 4.105 0.003 . 1 . . . B 150 LYS HA . 19043 1 1367 . 2 2 50 50 LYS HB2 H 1 1.919 0.006 . 1 . . . B 150 LYS HB2 . 19043 1 1368 . 2 2 50 50 LYS HB3 H 1 1.920 0.006 . 1 . . . B 150 LYS HB3 . 19043 1 1369 . 2 2 50 50 LYS HG2 H 1 1.598 0.004 . 2 . . . B 150 LYS HG2 . 19043 1 1370 . 2 2 50 50 LYS HG3 H 1 1.419 0.006 . 2 . . . B 150 LYS HG3 . 19043 1 1371 . 2 2 50 50 LYS HD2 H 1 1.709 0.018 . 1 . . . B 150 LYS HD2 . 19043 1 1372 . 2 2 50 50 LYS HD3 H 1 1.709 0.018 . 1 . . . B 150 LYS HD3 . 19043 1 1373 . 2 2 50 50 LYS HE2 H 1 2.953 0.004 . 1 . . . B 150 LYS HE2 . 19043 1 1374 . 2 2 50 50 LYS HE3 H 1 2.953 0.004 . 1 . . . B 150 LYS HE3 . 19043 1 1375 . 2 2 50 50 LYS C C 13 179.679 0.000 . 1 . . . B 150 LYS C . 19043 1 1376 . 2 2 50 50 LYS CA C 13 59.666 0.054 . 1 . . . B 150 LYS CA . 19043 1 1377 . 2 2 50 50 LYS CB C 13 32.464 0.036 . 1 . . . B 150 LYS CB . 19043 1 1378 . 2 2 50 50 LYS CG C 13 25.091 0.019 . 1 . . . B 150 LYS CG . 19043 1 1379 . 2 2 50 50 LYS CD C 13 29.561 0.038 . 1 . . . B 150 LYS CD . 19043 1 1380 . 2 2 50 50 LYS CE C 13 42.049 0.060 . 1 . . . B 150 LYS CE . 19043 1 1381 . 2 2 50 50 LYS N N 15 120.455 0.014 . 1 . . . B 150 LYS N . 19043 1 1382 . 2 2 51 51 LEU H H 1 7.924 0.004 . 1 . . . B 151 LEU H . 19043 1 1383 . 2 2 51 51 LEU HA H 1 4.217 0.003 . 1 . . . B 151 LEU HA . 19043 1 1384 . 2 2 51 51 LEU HB2 H 1 1.928 0.003 . 2 . . . B 151 LEU HB2 . 19043 1 1385 . 2 2 51 51 LEU HB3 H 1 1.641 0.012 . 2 . . . B 151 LEU HB3 . 19043 1 1386 . 2 2 51 51 LEU HG H 1 1.441 0.009 . 1 . . . B 151 LEU HG . 19043 1 1387 . 2 2 51 51 LEU HD11 H 1 1.029 0.004 . 2 . . . B 151 LEU HD11 . 19043 1 1388 . 2 2 51 51 LEU HD12 H 1 1.029 0.004 . 2 . . . B 151 LEU HD12 . 19043 1 1389 . 2 2 51 51 LEU HD13 H 1 1.029 0.004 . 2 . . . B 151 LEU HD13 . 19043 1 1390 . 2 2 51 51 LEU HD21 H 1 0.948 0.002 . 2 . . . B 151 LEU HD21 . 19043 1 1391 . 2 2 51 51 LEU HD22 H 1 0.948 0.002 . 2 . . . B 151 LEU HD22 . 19043 1 1392 . 2 2 51 51 LEU HD23 H 1 0.948 0.002 . 2 . . . B 151 LEU HD23 . 19043 1 1393 . 2 2 51 51 LEU C C 13 177.996 0.000 . 1 . . . B 151 LEU C . 19043 1 1394 . 2 2 51 51 LEU CA C 13 57.500 0.039 . 1 . . . B 151 LEU CA . 19043 1 1395 . 2 2 51 51 LEU CB C 13 41.725 0.033 . 1 . . . B 151 LEU CB . 19043 1 1396 . 2 2 51 51 LEU CG C 13 26.729 0.020 . 1 . . . B 151 LEU CG . 19043 1 1397 . 2 2 51 51 LEU CD1 C 13 25.788 0.014 . 2 . . . B 151 LEU CD1 . 19043 1 1398 . 2 2 51 51 LEU CD2 C 13 23.017 0.032 . 2 . . . B 151 LEU CD2 . 19043 1 1399 . 2 2 51 51 LEU N N 15 122.732 0.020 . 1 . . . B 151 LEU N . 19043 1 1400 . 2 2 52 52 ASN H H 1 8.624 0.003 . 1 . . . B 152 ASN H . 19043 1 1401 . 2 2 52 52 ASN HA H 1 3.895 0.011 . 1 . . . B 152 ASN HA . 19043 1 1402 . 2 2 52 52 ASN HB2 H 1 3.088 0.006 . 2 . . . B 152 ASN HB2 . 19043 1 1403 . 2 2 52 52 ASN HB3 H 1 2.359 0.005 . 2 . . . B 152 ASN HB3 . 19043 1 1404 . 2 2 52 52 ASN HD21 H 1 7.976 0.005 . 1 . . . B 152 ASN HD21 . 19043 1 1405 . 2 2 52 52 ASN HD22 H 1 6.632 0.005 . 1 . . . B 152 ASN HD22 . 19043 1 1406 . 2 2 52 52 ASN C C 13 177.653 0.000 . 1 . . . B 152 ASN C . 19043 1 1407 . 2 2 52 52 ASN CA C 13 58.016 0.058 . 1 . . . B 152 ASN CA . 19043 1 1408 . 2 2 52 52 ASN CB C 13 41.314 0.033 . 1 . . . B 152 ASN CB . 19043 1 1409 . 2 2 52 52 ASN N N 15 117.602 0.018 . 1 . . . B 152 ASN N . 19043 1 1410 . 2 2 52 52 ASN ND2 N 15 116.032 0.041 . 1 . . . B 152 ASN ND2 . 19043 1 1411 . 2 2 53 53 ASP H H 1 8.145 0.005 . 1 . . . B 153 ASP H . 19043 1 1412 . 2 2 53 53 ASP HA H 1 4.443 0.007 . 1 . . . B 153 ASP HA . 19043 1 1413 . 2 2 53 53 ASP HB2 H 1 2.746 0.010 . 2 . . . B 153 ASP HB2 . 19043 1 1414 . 2 2 53 53 ASP HB3 H 1 2.694 0.005 . 2 . . . B 153 ASP HB3 . 19043 1 1415 . 2 2 53 53 ASP C C 13 178.827 0.000 . 1 . . . B 153 ASP C . 19043 1 1416 . 2 2 53 53 ASP CA C 13 56.970 0.039 . 1 . . . B 153 ASP CA . 19043 1 1417 . 2 2 53 53 ASP CB C 13 40.069 0.034 . 1 . . . B 153 ASP CB . 19043 1 1418 . 2 2 53 53 ASP N N 15 119.249 0.023 . 1 . . . B 153 ASP N . 19043 1 1419 . 2 2 54 54 ALA H H 1 7.975 0.003 . 1 . . . B 154 ALA H . 19043 1 1420 . 2 2 54 54 ALA HA H 1 4.226 0.002 . 1 . . . B 154 ALA HA . 19043 1 1421 . 2 2 54 54 ALA HB1 H 1 1.584 0.003 . 1 . . . B 154 ALA HB1 . 19043 1 1422 . 2 2 54 54 ALA HB2 H 1 1.584 0.003 . 1 . . . B 154 ALA HB2 . 19043 1 1423 . 2 2 54 54 ALA HB3 H 1 1.584 0.003 . 1 . . . B 154 ALA HB3 . 19043 1 1424 . 2 2 54 54 ALA C C 13 179.213 0.000 . 1 . . . B 154 ALA C . 19043 1 1425 . 2 2 54 54 ALA CA C 13 54.369 0.024 . 1 . . . B 154 ALA CA . 19043 1 1426 . 2 2 54 54 ALA CB C 13 18.419 0.040 . 1 . . . B 154 ALA CB . 19043 1 1427 . 2 2 54 54 ALA N N 15 123.223 0.020 . 1 . . . B 154 ALA N . 19043 1 1428 . 2 2 55 55 GLN H H 1 7.515 0.002 . 1 . . . B 155 GLN H . 19043 1 1429 . 2 2 55 55 GLN HA H 1 4.368 0.004 . 1 . . . B 155 GLN HA . 19043 1 1430 . 2 2 55 55 GLN HB2 H 1 2.476 0.004 . 2 . . . B 155 GLN HB2 . 19043 1 1431 . 2 2 55 55 GLN HB3 H 1 1.728 0.005 . 2 . . . B 155 GLN HB3 . 19043 1 1432 . 2 2 55 55 GLN HG2 H 1 2.601 0.004 . 2 . . . B 155 GLN HG2 . 19043 1 1433 . 2 2 55 55 GLN HG3 H 1 2.289 0.005 . 2 . . . B 155 GLN HG3 . 19043 1 1434 . 2 2 55 55 GLN HE21 H 1 8.257 0.004 . 1 . . . B 155 GLN HE21 . 19043 1 1435 . 2 2 55 55 GLN HE22 H 1 7.275 0.007 . 1 . . . B 155 GLN HE22 . 19043 1 1436 . 2 2 55 55 GLN C C 13 174.147 0.000 . 1 . . . B 155 GLN C . 19043 1 1437 . 2 2 55 55 GLN CA C 13 55.113 0.061 . 1 . . . B 155 GLN CA . 19043 1 1438 . 2 2 55 55 GLN CB C 13 28.405 0.035 . 1 . . . B 155 GLN CB . 19043 1 1439 . 2 2 55 55 GLN CG C 13 35.646 0.050 . 1 . . . B 155 GLN CG . 19043 1 1440 . 2 2 55 55 GLN N N 15 115.009 0.014 . 1 . . . B 155 GLN N . 19043 1 1441 . 2 2 55 55 GLN NE2 N 15 111.630 0.044 . 1 . . . B 155 GLN NE2 . 19043 1 1442 . 2 2 56 56 ALA H H 1 7.154 0.003 . 1 . . . B 156 ALA H . 19043 1 1443 . 2 2 56 56 ALA HA H 1 4.325 0.005 . 1 . . . B 156 ALA HA . 19043 1 1444 . 2 2 56 56 ALA HB1 H 1 1.424 0.004 . 1 . . . B 156 ALA HB1 . 19043 1 1445 . 2 2 56 56 ALA HB2 H 1 1.424 0.004 . 1 . . . B 156 ALA HB2 . 19043 1 1446 . 2 2 56 56 ALA HB3 H 1 1.424 0.004 . 1 . . . B 156 ALA HB3 . 19043 1 1447 . 2 2 56 56 ALA CA C 13 51.120 0.043 . 1 . . . B 156 ALA CA . 19043 1 1448 . 2 2 56 56 ALA CB C 13 17.981 0.038 . 1 . . . B 156 ALA CB . 19043 1 1449 . 2 2 56 56 ALA N N 15 124.424 0.016 . 1 . . . B 156 ALA N . 19043 1 1450 . 2 2 57 57 PRO HA H 1 4.402 0.004 . 1 . . . B 157 PRO HA . 19043 1 1451 . 2 2 57 57 PRO HB2 H 1 2.286 0.002 . 2 . . . B 157 PRO HB2 . 19043 1 1452 . 2 2 57 57 PRO HB3 H 1 1.864 0.006 . 2 . . . B 157 PRO HB3 . 19043 1 1453 . 2 2 57 57 PRO HG2 H 1 2.044 0.002 . 1 . . . B 157 PRO HG2 . 19043 1 1454 . 2 2 57 57 PRO HG3 H 1 2.044 0.002 . 1 . . . B 157 PRO HG3 . 19043 1 1455 . 2 2 57 57 PRO HD2 H 1 3.772 0.003 . 2 . . . B 157 PRO HD2 . 19043 1 1456 . 2 2 57 57 PRO HD3 H 1 3.605 0.003 . 2 . . . B 157 PRO HD3 . 19043 1 1457 . 2 2 57 57 PRO C C 13 176.697 0.000 . 1 . . . B 157 PRO C . 19043 1 1458 . 2 2 57 57 PRO CA C 13 62.984 0.031 . 1 . . . B 157 PRO CA . 19043 1 1459 . 2 2 57 57 PRO CB C 13 32.049 0.021 . 1 . . . B 157 PRO CB . 19043 1 1460 . 2 2 57 57 PRO CG C 13 27.523 0.034 . 1 . . . B 157 PRO CG . 19043 1 1461 . 2 2 57 57 PRO CD C 13 50.550 0.032 . 1 . . . B 157 PRO CD . 19043 1 1462 . 2 2 58 58 LYS H H 1 8.478 0.003 . 1 . . . B 158 LYS H . 19043 1 1463 . 2 2 58 58 LYS HA H 1 4.373 0.007 . 1 . . . B 158 LYS HA . 19043 1 1464 . 2 2 58 58 LYS HB2 H 1 1.824 0.008 . 2 . . . B 158 LYS HB2 . 19043 1 1465 . 2 2 58 58 LYS HB3 H 1 1.748 0.003 . 2 . . . B 158 LYS HB3 . 19043 1 1466 . 2 2 58 58 LYS HG2 H 1 1.476 0.002 . 2 . . . B 158 LYS HG2 . 19043 1 1467 . 2 2 58 58 LYS HG3 H 1 1.430 0.007 . 2 . . . B 158 LYS HG3 . 19043 1 1468 . 2 2 58 58 LYS HD2 H 1 1.691 0.002 . 1 . . . B 158 LYS HD2 . 19043 1 1469 . 2 2 58 58 LYS HD3 H 1 1.691 0.002 . 1 . . . B 158 LYS HD3 . 19043 1 1470 . 2 2 58 58 LYS HE2 H 1 3.026 0.002 . 1 . . . B 158 LYS HE2 . 19043 1 1471 . 2 2 58 58 LYS HE3 H 1 3.026 0.002 . 1 . . . B 158 LYS HE3 . 19043 1 1472 . 2 2 58 58 LYS CA C 13 55.823 0.052 . 1 . . . B 158 LYS CA . 19043 1 1473 . 2 2 58 58 LYS CB C 13 33.157 0.061 . 1 . . . B 158 LYS CB . 19043 1 1474 . 2 2 58 58 LYS CG C 13 24.681 0.044 . 1 . . . B 158 LYS CG . 19043 1 1475 . 2 2 58 58 LYS CD C 13 28.968 0.065 . 1 . . . B 158 LYS CD . 19043 1 1476 . 2 2 58 58 LYS CE C 13 42.349 0.028 . 1 . . . B 158 LYS CE . 19043 1 1477 . 2 2 58 58 LYS N N 15 122.801 0.042 . 1 . . . B 158 LYS N . 19043 1 stop_ save_