data_25791 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25791 _Entry.Title ; Solution structure of kinase in complex with its regulatory protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-02 _Entry.Accession_date 2015-09-02 _Entry.Last_release_date 2016-07-13 _Entry.Original_release_date 2016-07-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Vaclav Veverka . . . . 25791 2 Rozalie Hexnerova . . . . 25791 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' . 25791 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID kinase . 25791 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25791 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 611 25791 '15N chemical shifts' 155 25791 '1H chemical shifts' 1041 25791 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-07-13 . original BMRB . 25791 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25790 'polyQ regulatory protein' 25791 PDB 2N73 'BMRB Entry Tracking System' 25791 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25791 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27009356 _Citation.Full_citation . _Citation.Title ; Structural insights and in vitro reconstitution of membrane targeting and activation of human PI4KB by the ACBD3 protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 23641 _Citation.Page_last 23641 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Martin Klima . . . . 25791 1 2 Daniel Toth . J. . . 25791 1 3 Rozalie Hexnerova . . . . 25791 1 4 Adriana Baumlova . . . . 25791 1 5 Dominika Chalupska . . . . 25791 1 6 Jan Tykvart . . . . 25791 1 7 Lenka Rezabkova . . . . 25791 1 8 Nivedita Sengupta . . . . 25791 1 9 Petr Man . . . . 25791 1 10 Anna Dubankova . . . . 25791 1 11 Jana Humpolickova . . . . 25791 1 12 Radim Nencka . . . . 25791 1 13 Vaclav Veverka . . . . 25791 1 14 Tamas Balla . . . . 25791 1 15 Evzen Boura . . . . 25791 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25791 _Assembly.ID 1 _Assembly.Name 'kinase in complex with its regulatory protein' _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 entity_1 1 $entity_1 A . yes native no no . . . 25791 1 2 entity_2 2 $entity_2 B . yes native no no . . . 25791 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25791 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MQQKQQIMAALNSQTAVQFQ QYAAQQYPGNYEQQQILIRQ LQEQHYQQYMQQLYQVQLAQ QQAALQKQQ ; _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 69 _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 8293.291 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25791 1 2 2 GLN . 25791 1 3 3 GLN . 25791 1 4 4 LYS . 25791 1 5 5 GLN . 25791 1 6 6 GLN . 25791 1 7 7 ILE . 25791 1 8 8 MET . 25791 1 9 9 ALA . 25791 1 10 10 ALA . 25791 1 11 11 LEU . 25791 1 12 12 ASN . 25791 1 13 13 SER . 25791 1 14 14 GLN . 25791 1 15 15 THR . 25791 1 16 16 ALA . 25791 1 17 17 VAL . 25791 1 18 18 GLN . 25791 1 19 19 PHE . 25791 1 20 20 GLN . 25791 1 21 21 GLN . 25791 1 22 22 TYR . 25791 1 23 23 ALA . 25791 1 24 24 ALA . 25791 1 25 25 GLN . 25791 1 26 26 GLN . 25791 1 27 27 TYR . 25791 1 28 28 PRO . 25791 1 29 29 GLY . 25791 1 30 30 ASN . 25791 1 31 31 TYR . 25791 1 32 32 GLU . 25791 1 33 33 GLN . 25791 1 34 34 GLN . 25791 1 35 35 GLN . 25791 1 36 36 ILE . 25791 1 37 37 LEU . 25791 1 38 38 ILE . 25791 1 39 39 ARG . 25791 1 40 40 GLN . 25791 1 41 41 LEU . 25791 1 42 42 GLN . 25791 1 43 43 GLU . 25791 1 44 44 GLN . 25791 1 45 45 HIS . 25791 1 46 46 TYR . 25791 1 47 47 GLN . 25791 1 48 48 GLN . 25791 1 49 49 TYR . 25791 1 50 50 MET . 25791 1 51 51 GLN . 25791 1 52 52 GLN . 25791 1 53 53 LEU . 25791 1 54 54 TYR . 25791 1 55 55 GLN . 25791 1 56 56 VAL . 25791 1 57 57 GLN . 25791 1 58 58 LEU . 25791 1 59 59 ALA . 25791 1 60 60 GLN . 25791 1 61 61 GLN . 25791 1 62 62 GLN . 25791 1 63 63 ALA . 25791 1 64 64 ALA . 25791 1 65 65 LEU . 25791 1 66 66 GLN . 25791 1 67 67 LYS . 25791 1 68 68 GLN . 25791 1 69 69 GLN . 25791 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 . MET 1 1 25791 1 . GLN 2 2 25791 1 . GLN 3 3 25791 1 . LYS 4 4 25791 1 . GLN 5 5 25791 1 . GLN 6 6 25791 1 . ILE 7 7 25791 1 . MET 8 8 25791 1 . ALA 9 9 25791 1 . ALA 10 10 25791 1 . LEU 11 11 25791 1 . ASN 12 12 25791 1 . SER 13 13 25791 1 . GLN 14 14 25791 1 . THR 15 15 25791 1 . ALA 16 16 25791 1 . VAL 17 17 25791 1 . GLN 18 18 25791 1 . PHE 19 19 25791 1 . GLN 20 20 25791 1 . GLN 21 21 25791 1 . TYR 22 22 25791 1 . ALA 23 23 25791 1 . ALA 24 24 25791 1 . GLN 25 25 25791 1 . GLN 26 26 25791 1 . TYR 27 27 25791 1 . PRO 28 28 25791 1 . GLY 29 29 25791 1 . ASN 30 30 25791 1 . TYR 31 31 25791 1 . GLU 32 32 25791 1 . GLN 33 33 25791 1 . GLN 34 34 25791 1 . GLN 35 35 25791 1 . ILE 36 36 25791 1 . LEU 37 37 25791 1 . ILE 38 38 25791 1 . ARG 39 39 25791 1 . GLN 40 40 25791 1 . LEU 41 41 25791 1 . GLN 42 42 25791 1 . GLU 43 43 25791 1 . GLN 44 44 25791 1 . HIS 45 45 25791 1 . TYR 46 46 25791 1 . GLN 47 47 25791 1 . GLN 48 48 25791 1 . TYR 49 49 25791 1 . MET 50 50 25791 1 . GLN 51 51 25791 1 . GLN 52 52 25791 1 . LEU 53 53 25791 1 . TYR 54 54 25791 1 . GLN 55 55 25791 1 . VAL 56 56 25791 1 . GLN 57 57 25791 1 . LEU 58 58 25791 1 . ALA 59 59 25791 1 . GLN 60 60 25791 1 . GLN 61 61 25791 1 . GLN 62 62 25791 1 . ALA 63 63 25791 1 . ALA 64 64 25791 1 . LEU 65 65 25791 1 . GLN 66 66 25791 1 . LYS 67 67 25791 1 . GLN 68 68 25791 1 . GLN 69 69 25791 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 25791 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; GAMVEARSLAVAMGDTVVEP APLKPTSEPTSGPPGNNGGS LLSVITEGVGELSVIDPEVA QKACQEVLEKVKLLHGGVAV ; _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 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8010.200 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 GLY . 25791 2 2 102 ALA . 25791 2 3 103 MET . 25791 2 4 104 VAL . 25791 2 5 105 GLU . 25791 2 6 106 ALA . 25791 2 7 107 ARG . 25791 2 8 108 SER . 25791 2 9 109 LEU . 25791 2 10 110 ALA . 25791 2 11 111 VAL . 25791 2 12 112 ALA . 25791 2 13 113 MET . 25791 2 14 114 GLY . 25791 2 15 115 ASP . 25791 2 16 116 THR . 25791 2 17 117 VAL . 25791 2 18 118 VAL . 25791 2 19 119 GLU . 25791 2 20 120 PRO . 25791 2 21 121 ALA . 25791 2 22 122 PRO . 25791 2 23 123 LEU . 25791 2 24 124 LYS . 25791 2 25 125 PRO . 25791 2 26 126 THR . 25791 2 27 127 SER . 25791 2 28 128 GLU . 25791 2 29 129 PRO . 25791 2 30 130 THR . 25791 2 31 131 SER . 25791 2 32 132 GLY . 25791 2 33 133 PRO . 25791 2 34 134 PRO . 25791 2 35 135 GLY . 25791 2 36 136 ASN . 25791 2 37 137 ASN . 25791 2 38 138 GLY . 25791 2 39 139 GLY . 25791 2 40 140 SER . 25791 2 41 141 LEU . 25791 2 42 142 LEU . 25791 2 43 143 SER . 25791 2 44 144 VAL . 25791 2 45 145 ILE . 25791 2 46 146 THR . 25791 2 47 147 GLU . 25791 2 48 148 GLY . 25791 2 49 149 VAL . 25791 2 50 150 GLY . 25791 2 51 151 GLU . 25791 2 52 152 LEU . 25791 2 53 153 SER . 25791 2 54 154 VAL . 25791 2 55 155 ILE . 25791 2 56 156 ASP . 25791 2 57 157 PRO . 25791 2 58 158 GLU . 25791 2 59 159 VAL . 25791 2 60 160 ALA . 25791 2 61 161 GLN . 25791 2 62 162 LYS . 25791 2 63 163 ALA . 25791 2 64 164 CYS . 25791 2 65 165 GLN . 25791 2 66 166 GLU . 25791 2 67 167 VAL . 25791 2 68 168 LEU . 25791 2 69 169 GLU . 25791 2 70 170 LYS . 25791 2 71 171 VAL . 25791 2 72 172 LYS . 25791 2 73 173 LEU . 25791 2 74 174 LEU . 25791 2 75 175 HIS . 25791 2 76 176 GLY . 25791 2 77 177 GLY . 25791 2 78 178 VAL . 25791 2 79 179 ALA . 25791 2 80 180 VAL . 25791 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25791 2 . ALA 2 2 25791 2 . MET 3 3 25791 2 . VAL 4 4 25791 2 . GLU 5 5 25791 2 . ALA 6 6 25791 2 . ARG 7 7 25791 2 . SER 8 8 25791 2 . LEU 9 9 25791 2 . ALA 10 10 25791 2 . VAL 11 11 25791 2 . ALA 12 12 25791 2 . MET 13 13 25791 2 . GLY 14 14 25791 2 . ASP 15 15 25791 2 . THR 16 16 25791 2 . VAL 17 17 25791 2 . VAL 18 18 25791 2 . GLU 19 19 25791 2 . PRO 20 20 25791 2 . ALA 21 21 25791 2 . PRO 22 22 25791 2 . LEU 23 23 25791 2 . LYS 24 24 25791 2 . PRO 25 25 25791 2 . THR 26 26 25791 2 . SER 27 27 25791 2 . GLU 28 28 25791 2 . PRO 29 29 25791 2 . THR 30 30 25791 2 . SER 31 31 25791 2 . GLY 32 32 25791 2 . PRO 33 33 25791 2 . PRO 34 34 25791 2 . GLY 35 35 25791 2 . ASN 36 36 25791 2 . ASN 37 37 25791 2 . GLY 38 38 25791 2 . GLY 39 39 25791 2 . SER 40 40 25791 2 . LEU 41 41 25791 2 . LEU 42 42 25791 2 . SER 43 43 25791 2 . VAL 44 44 25791 2 . ILE 45 45 25791 2 . THR 46 46 25791 2 . GLU 47 47 25791 2 . GLY 48 48 25791 2 . VAL 49 49 25791 2 . GLY 50 50 25791 2 . GLU 51 51 25791 2 . LEU 52 52 25791 2 . SER 53 53 25791 2 . VAL 54 54 25791 2 . ILE 55 55 25791 2 . ASP 56 56 25791 2 . PRO 57 57 25791 2 . GLU 58 58 25791 2 . VAL 59 59 25791 2 . ALA 60 60 25791 2 . GLN 61 61 25791 2 . LYS 62 62 25791 2 . ALA 63 63 25791 2 . CYS 64 64 25791 2 . GLN 65 65 25791 2 . GLU 66 66 25791 2 . VAL 67 67 25791 2 . LEU 68 68 25791 2 . GLU 69 69 25791 2 . LYS 70 70 25791 2 . VAL 71 71 25791 2 . LYS 72 72 25791 2 . LEU 73 73 25791 2 . LEU 74 74 25791 2 . HIS 75 75 25791 2 . GLY 76 76 25791 2 . GLY 77 77 25791 2 . VAL 78 78 25791 2 . ALA 79 79 25791 2 . VAL 80 80 25791 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 25791 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25791 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25791 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 25791 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . n/a . . . 25791 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . n/a . . . 25791 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25791 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.47 . . mM . . . . 25791 1 2 entity_2 '[U-13C; U-15N]' . . 2 $entity_2 . . 0.47 . . mM . . . . 25791 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25791 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25791 1 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 25791 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 25791 1 pH 6.5 . pH 25791 1 pressure 1 . atm 25791 1 temperature 298 . K 25791 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25791 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25791 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25791 1 stop_ save_ save_YASARA _Software.Sf_category software _Software.Sf_framecode YASARA _Software.Entry_ID 25791 _Software.ID 2 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID na . . 25791 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25791 2 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 25791 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25791 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 25791 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25791 1 2 spectrometer_2 Bruker Avance . 850 . . . 25791 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 25791 _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 HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25791 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25791 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25791 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25791 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25791 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25791 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25791 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25791 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 25791 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25791 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25791 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25791 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 25791 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 25791 1 3 '3D HNCO' . . . 25791 1 8 '3D HCCH-TOCSY' . . . 25791 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 2 2 GLN HA H 1 4.447 0.015 . . . . . A 2 GLN HA . 25791 1 2 . 1 1 2 2 GLN HB2 H 1 2.217 0.015 . . . . . A 2 GLN HB2 . 25791 1 3 . 1 1 2 2 GLN HB3 H 1 2.063 0.015 . . . . . A 2 GLN HB3 . 25791 1 4 . 1 1 2 2 GLN HG2 H 1 2.468 0.015 . . . . . A 2 GLN HG2 . 25791 1 5 . 1 1 2 2 GLN HG3 H 1 2.468 0.015 . . . . . A 2 GLN HG3 . 25791 1 6 . 1 1 2 2 GLN C C 13 176.144 0.150 . . . . . A 2 GLN C . 25791 1 7 . 1 1 2 2 GLN CA C 13 56.209 0.150 . . . . . A 2 GLN CA . 25791 1 8 . 1 1 2 2 GLN CB C 13 29.459 0.150 . . . . . A 2 GLN CB . 25791 1 9 . 1 1 2 2 GLN CG C 13 34.052 0.150 . . . . . A 2 GLN CG . 25791 1 10 . 1 1 3 3 GLN H H 1 8.780 0.015 . . . . . A 3 GLN H . 25791 1 11 . 1 1 3 3 GLN HA H 1 4.323 0.015 . . . . . A 3 GLN HA . 25791 1 12 . 1 1 3 3 GLN HB2 H 1 2.226 0.015 . . . . . A 3 GLN HB2 . 25791 1 13 . 1 1 3 3 GLN HB3 H 1 2.085 0.015 . . . . . A 3 GLN HB3 . 25791 1 14 . 1 1 3 3 GLN HG2 H 1 2.457 0.015 . . . . . A 3 GLN HG2 . 25791 1 15 . 1 1 3 3 GLN HG3 H 1 2.419 0.015 . . . . . A 3 GLN HG3 . 25791 1 16 . 1 1 3 3 GLN C C 13 176.988 0.150 . . . . . A 3 GLN C . 25791 1 17 . 1 1 3 3 GLN CA C 13 57.403 0.150 . . . . . A 3 GLN CA . 25791 1 18 . 1 1 3 3 GLN CB C 13 29.239 0.150 . . . . . A 3 GLN CB . 25791 1 19 . 1 1 3 3 GLN CG C 13 34.053 0.150 . . . . . A 3 GLN CG . 25791 1 20 . 1 1 3 3 GLN N N 15 122.052 0.150 . . . . . A 3 GLN N . 25791 1 21 . 1 1 4 4 LYS H H 1 8.528 0.015 . . . . . A 4 LYS H . 25791 1 22 . 1 1 4 4 LYS HA H 1 4.004 0.015 . . . . . A 4 LYS HA . 25791 1 23 . 1 1 4 4 LYS HB2 H 1 1.891 0.015 . . . . . A 4 LYS HB2 . 25791 1 24 . 1 1 4 4 LYS HB3 H 1 1.728 0.015 . . . . . A 4 LYS HB3 . 25791 1 25 . 1 1 4 4 LYS HG2 H 1 0.995 0.015 . . . . . A 4 LYS HG2 . 25791 1 26 . 1 1 4 4 LYS HG3 H 1 0.921 0.015 . . . . . A 4 LYS HG3 . 25791 1 27 . 1 1 4 4 LYS HD2 H 1 1.547 0.015 . . . . . A 4 LYS HD2 . 25791 1 28 . 1 1 4 4 LYS HD3 H 1 1.547 0.015 . . . . . A 4 LYS HD3 . 25791 1 29 . 1 1 4 4 LYS HE2 H 1 2.727 0.015 . . . . . A 4 LYS HE2 . 25791 1 30 . 1 1 4 4 LYS HE3 H 1 2.547 0.015 . . . . . A 4 LYS HE3 . 25791 1 31 . 1 1 4 4 LYS C C 13 177.638 0.150 . . . . . A 4 LYS C . 25791 1 32 . 1 1 4 4 LYS CA C 13 60.239 0.150 . . . . . A 4 LYS CA . 25791 1 33 . 1 1 4 4 LYS CB C 13 32.699 0.150 . . . . . A 4 LYS CB . 25791 1 34 . 1 1 4 4 LYS CG C 13 24.650 0.150 . . . . . A 4 LYS CG . 25791 1 35 . 1 1 4 4 LYS CD C 13 29.925 0.150 . . . . . A 4 LYS CD . 25791 1 36 . 1 1 4 4 LYS CE C 13 42.186 0.150 . . . . . A 4 LYS CE . 25791 1 37 . 1 1 4 4 LYS N N 15 121.855 0.150 . . . . . A 4 LYS N . 25791 1 38 . 1 1 5 5 GLN H H 1 8.223 0.015 . . . . . A 5 GLN H . 25791 1 39 . 1 1 5 5 GLN HA H 1 3.941 0.015 . . . . . A 5 GLN HA . 25791 1 40 . 1 1 5 5 GLN HB2 H 1 2.122 0.015 . . . . . A 5 GLN HB2 . 25791 1 41 . 1 1 5 5 GLN HB3 H 1 2.070 0.015 . . . . . A 5 GLN HB3 . 25791 1 42 . 1 1 5 5 GLN HG2 H 1 2.442 0.015 . . . . . A 5 GLN HG2 . 25791 1 43 . 1 1 5 5 GLN HG3 H 1 2.442 0.015 . . . . . A 5 GLN HG3 . 25791 1 44 . 1 1 5 5 GLN C C 13 178.761 0.150 . . . . . A 5 GLN C . 25791 1 45 . 1 1 5 5 GLN CA C 13 59.349 0.150 . . . . . A 5 GLN CA . 25791 1 46 . 1 1 5 5 GLN CB C 13 27.950 0.150 . . . . . A 5 GLN CB . 25791 1 47 . 1 1 5 5 GLN CG C 13 34.207 0.150 . . . . . A 5 GLN CG . 25791 1 48 . 1 1 5 5 GLN N N 15 116.397 0.150 . . . . . A 5 GLN N . 25791 1 49 . 1 1 6 6 GLN H H 1 7.848 0.015 . . . . . A 6 GLN H . 25791 1 50 . 1 1 6 6 GLN HA H 1 4.128 0.015 . . . . . A 6 GLN HA . 25791 1 51 . 1 1 6 6 GLN HB2 H 1 2.249 0.015 . . . . . A 6 GLN HB2 . 25791 1 52 . 1 1 6 6 GLN HB3 H 1 2.168 0.015 . . . . . A 6 GLN HB3 . 25791 1 53 . 1 1 6 6 GLN HG2 H 1 2.427 0.015 . . . . . A 6 GLN HG2 . 25791 1 54 . 1 1 6 6 GLN HG3 H 1 2.427 0.015 . . . . . A 6 GLN HG3 . 25791 1 55 . 1 1 6 6 GLN C C 13 179.018 0.150 . . . . . A 6 GLN C . 25791 1 56 . 1 1 6 6 GLN CA C 13 59.089 0.150 . . . . . A 6 GLN CA . 25791 1 57 . 1 1 6 6 GLN CB C 13 28.710 0.150 . . . . . A 6 GLN CB . 25791 1 58 . 1 1 6 6 GLN CG C 13 34.239 0.150 . . . . . A 6 GLN CG . 25791 1 59 . 1 1 6 6 GLN N N 15 119.262 0.150 . . . . . A 6 GLN N . 25791 1 60 . 1 1 7 7 ILE H H 1 8.095 0.015 . . . . . A 7 ILE H . 25791 1 61 . 1 1 7 7 ILE HA H 1 3.583 0.015 . . . . . A 7 ILE HA . 25791 1 62 . 1 1 7 7 ILE HB H 1 2.110 0.015 . . . . . A 7 ILE HB . 25791 1 63 . 1 1 7 7 ILE HG12 H 1 1.757 0.015 . . . . . A 7 ILE HG12 . 25791 1 64 . 1 1 7 7 ILE HG13 H 1 1.176 0.015 . . . . . A 7 ILE HG13 . 25791 1 65 . 1 1 7 7 ILE HG21 H 1 0.974 0.015 . . . . . A 7 ILE HG21 . 25791 1 66 . 1 1 7 7 ILE HG22 H 1 0.974 0.015 . . . . . A 7 ILE HG22 . 25791 1 67 . 1 1 7 7 ILE HG23 H 1 0.974 0.015 . . . . . A 7 ILE HG23 . 25791 1 68 . 1 1 7 7 ILE HD11 H 1 1.006 0.015 . . . . . A 7 ILE HD11 . 25791 1 69 . 1 1 7 7 ILE HD12 H 1 1.006 0.015 . . . . . A 7 ILE HD12 . 25791 1 70 . 1 1 7 7 ILE HD13 H 1 1.006 0.015 . . . . . A 7 ILE HD13 . 25791 1 71 . 1 1 7 7 ILE C C 13 177.833 0.150 . . . . . A 7 ILE C . 25791 1 72 . 1 1 7 7 ILE CA C 13 65.129 0.150 . . . . . A 7 ILE CA . 25791 1 73 . 1 1 7 7 ILE CB C 13 38.206 0.150 . . . . . A 7 ILE CB . 25791 1 74 . 1 1 7 7 ILE CG1 C 13 29.172 0.150 . . . . . A 7 ILE CG1 . 25791 1 75 . 1 1 7 7 ILE CG2 C 13 17.221 0.150 . . . . . A 7 ILE CG2 . 25791 1 76 . 1 1 7 7 ILE CD1 C 13 13.328 0.150 . . . . . A 7 ILE CD1 . 25791 1 77 . 1 1 7 7 ILE N N 15 121.296 0.150 . . . . . A 7 ILE N . 25791 1 78 . 1 1 8 8 MET H H 1 8.672 0.015 . . . . . A 8 MET H . 25791 1 79 . 1 1 8 8 MET HA H 1 3.985 0.015 . . . . . A 8 MET HA . 25791 1 80 . 1 1 8 8 MET HB2 H 1 2.002 0.015 . . . . . A 8 MET HB2 . 25791 1 81 . 1 1 8 8 MET HB3 H 1 1.850 0.015 . . . . . A 8 MET HB3 . 25791 1 82 . 1 1 8 8 MET HG2 H 1 2.504 0.015 . . . . . A 8 MET HG2 . 25791 1 83 . 1 1 8 8 MET HG3 H 1 2.384 0.015 . . . . . A 8 MET HG3 . 25791 1 84 . 1 1 8 8 MET HE1 H 1 1.923 0.015 . . . . . A 8 MET HE1 . 25791 1 85 . 1 1 8 8 MET HE2 H 1 1.923 0.015 . . . . . A 8 MET HE2 . 25791 1 86 . 1 1 8 8 MET HE3 H 1 1.923 0.015 . . . . . A 8 MET HE3 . 25791 1 87 . 1 1 8 8 MET C C 13 177.355 0.150 . . . . . A 8 MET C . 25791 1 88 . 1 1 8 8 MET CA C 13 59.932 0.150 . . . . . A 8 MET CA . 25791 1 89 . 1 1 8 8 MET CB C 13 32.721 0.150 . . . . . A 8 MET CB . 25791 1 90 . 1 1 8 8 MET CG C 13 32.733 0.150 . . . . . A 8 MET CG . 25791 1 91 . 1 1 8 8 MET CE C 13 16.626 0.150 . . . . . A 8 MET CE . 25791 1 92 . 1 1 8 8 MET N N 15 117.603 0.150 . . . . . A 8 MET N . 25791 1 93 . 1 1 9 9 ALA H H 1 7.795 0.015 . . . . . A 9 ALA H . 25791 1 94 . 1 1 9 9 ALA HA H 1 4.046 0.015 . . . . . A 9 ALA HA . 25791 1 95 . 1 1 9 9 ALA HB1 H 1 1.482 0.015 . . . . . A 9 ALA HB1 . 25791 1 96 . 1 1 9 9 ALA HB2 H 1 1.482 0.015 . . . . . A 9 ALA HB2 . 25791 1 97 . 1 1 9 9 ALA HB3 H 1 1.482 0.015 . . . . . A 9 ALA HB3 . 25791 1 98 . 1 1 9 9 ALA C C 13 180.546 0.150 . . . . . A 9 ALA C . 25791 1 99 . 1 1 9 9 ALA CA C 13 55.385 0.150 . . . . . A 9 ALA CA . 25791 1 100 . 1 1 9 9 ALA CB C 13 17.898 0.150 . . . . . A 9 ALA CB . 25791 1 101 . 1 1 9 9 ALA N N 15 118.774 0.150 . . . . . A 9 ALA N . 25791 1 102 . 1 1 10 10 ALA H H 1 7.438 0.015 . . . . . A 10 ALA H . 25791 1 103 . 1 1 10 10 ALA HA H 1 4.205 0.015 . . . . . A 10 ALA HA . 25791 1 104 . 1 1 10 10 ALA HB1 H 1 1.467 0.015 . . . . . A 10 ALA HB1 . 25791 1 105 . 1 1 10 10 ALA HB2 H 1 1.467 0.015 . . . . . A 10 ALA HB2 . 25791 1 106 . 1 1 10 10 ALA HB3 H 1 1.467 0.015 . . . . . A 10 ALA HB3 . 25791 1 107 . 1 1 10 10 ALA C C 13 181.200 0.150 . . . . . A 10 ALA C . 25791 1 108 . 1 1 10 10 ALA CA C 13 55.012 0.150 . . . . . A 10 ALA CA . 25791 1 109 . 1 1 10 10 ALA CB C 13 19.261 0.150 . . . . . A 10 ALA CB . 25791 1 110 . 1 1 10 10 ALA N N 15 120.854 0.150 . . . . . A 10 ALA N . 25791 1 111 . 1 1 11 11 LEU H H 1 8.757 0.015 . . . . . A 11 LEU H . 25791 1 112 . 1 1 11 11 LEU HA H 1 3.748 0.015 . . . . . A 11 LEU HA . 25791 1 113 . 1 1 11 11 LEU HB2 H 1 2.050 0.015 . . . . . A 11 LEU HB2 . 25791 1 114 . 1 1 11 11 LEU HB3 H 1 1.826 0.015 . . . . . A 11 LEU HB3 . 25791 1 115 . 1 1 11 11 LEU HG H 1 1.677 0.015 . . . . . A 11 LEU HG . 25791 1 116 . 1 1 11 11 LEU HD11 H 1 0.521 0.015 . . . . . A 11 LEU HD11 . 25791 1 117 . 1 1 11 11 LEU HD12 H 1 0.521 0.015 . . . . . A 11 LEU HD12 . 25791 1 118 . 1 1 11 11 LEU HD13 H 1 0.521 0.015 . . . . . A 11 LEU HD13 . 25791 1 119 . 1 1 11 11 LEU HD21 H 1 -0.157 0.015 . . . . . A 11 LEU HD21 . 25791 1 120 . 1 1 11 11 LEU HD22 H 1 -0.157 0.015 . . . . . A 11 LEU HD22 . 25791 1 121 . 1 1 11 11 LEU HD23 H 1 -0.157 0.015 . . . . . A 11 LEU HD23 . 25791 1 122 . 1 1 11 11 LEU C C 13 179.041 0.150 . . . . . A 11 LEU C . 25791 1 123 . 1 1 11 11 LEU CA C 13 58.346 0.150 . . . . . A 11 LEU CA . 25791 1 124 . 1 1 11 11 LEU CB C 13 39.977 0.150 . . . . . A 11 LEU CB . 25791 1 125 . 1 1 11 11 LEU CG C 13 25.647 0.150 . . . . . A 11 LEU CG . 25791 1 126 . 1 1 11 11 LEU CD1 C 13 26.105 0.150 . . . . . A 11 LEU CD1 . 25791 1 127 . 1 1 11 11 LEU CD2 C 13 21.515 0.150 . . . . . A 11 LEU CD2 . 25791 1 128 . 1 1 11 11 LEU N N 15 120.775 0.150 . . . . . A 11 LEU N . 25791 1 129 . 1 1 12 12 ASN H H 1 8.850 0.015 . . . . . A 12 ASN H . 25791 1 130 . 1 1 12 12 ASN HA H 1 4.564 0.015 . . . . . A 12 ASN HA . 25791 1 131 . 1 1 12 12 ASN HB2 H 1 2.909 0.015 . . . . . A 12 ASN HB2 . 25791 1 132 . 1 1 12 12 ASN HB3 H 1 2.792 0.015 . . . . . A 12 ASN HB3 . 25791 1 133 . 1 1 12 12 ASN HD21 H 1 7.329 0.015 . . . . . A 12 ASN HD21 . 25791 1 134 . 1 1 12 12 ASN HD22 H 1 6.171 0.015 . . . . . A 12 ASN HD22 . 25791 1 135 . 1 1 12 12 ASN C C 13 178.900 0.150 . . . . . A 12 ASN C . 25791 1 136 . 1 1 12 12 ASN CA C 13 54.065 0.150 . . . . . A 12 ASN CA . 25791 1 137 . 1 1 12 12 ASN CB C 13 36.993 0.150 . . . . . A 12 ASN CB . 25791 1 138 . 1 1 12 12 ASN N N 15 116.313 0.150 . . . . . A 12 ASN N . 25791 1 139 . 1 1 12 12 ASN ND2 N 15 106.606 0.150 . . . . . A 12 ASN ND2 . 25791 1 140 . 1 1 13 13 SER H H 1 7.672 0.015 . . . . . A 13 SER H . 25791 1 141 . 1 1 13 13 SER HA H 1 4.370 0.015 . . . . . A 13 SER HA . 25791 1 142 . 1 1 13 13 SER HB2 H 1 4.031 0.015 . . . . . A 13 SER HB2 . 25791 1 143 . 1 1 13 13 SER HB3 H 1 4.031 0.015 . . . . . A 13 SER HB3 . 25791 1 144 . 1 1 13 13 SER C C 13 176.515 0.150 . . . . . A 13 SER C . 25791 1 145 . 1 1 13 13 SER CA C 13 61.141 0.150 . . . . . A 13 SER CA . 25791 1 146 . 1 1 13 13 SER CB C 13 63.044 0.150 . . . . . A 13 SER CB . 25791 1 147 . 1 1 13 13 SER N N 15 114.747 0.150 . . . . . A 13 SER N . 25791 1 148 . 1 1 14 14 GLN H H 1 7.573 0.015 . . . . . A 14 GLN H . 25791 1 149 . 1 1 14 14 GLN HA H 1 4.218 0.015 . . . . . A 14 GLN HA . 25791 1 150 . 1 1 14 14 GLN HB2 H 1 2.255 0.015 . . . . . A 14 GLN HB2 . 25791 1 151 . 1 1 14 14 GLN HB3 H 1 2.255 0.015 . . . . . A 14 GLN HB3 . 25791 1 152 . 1 1 14 14 GLN HG2 H 1 2.276 0.015 . . . . . A 14 GLN HG2 . 25791 1 153 . 1 1 14 14 GLN HG3 H 1 2.417 0.015 . . . . . A 14 GLN HG3 . 25791 1 154 . 1 1 14 14 GLN HE21 H 1 7.522 0.015 . . . . . A 14 GLN HE21 . 25791 1 155 . 1 1 14 14 GLN HE22 H 1 6.675 0.015 . . . . . A 14 GLN HE22 . 25791 1 156 . 1 1 14 14 GLN C C 13 178.208 0.150 . . . . . A 14 GLN C . 25791 1 157 . 1 1 14 14 GLN CA C 13 57.749 0.150 . . . . . A 14 GLN CA . 25791 1 158 . 1 1 14 14 GLN CB C 13 28.700 0.150 . . . . . A 14 GLN CB . 25791 1 159 . 1 1 14 14 GLN CG C 13 33.813 0.150 . . . . . A 14 GLN CG . 25791 1 160 . 1 1 14 14 GLN N N 15 119.954 0.150 . . . . . A 14 GLN N . 25791 1 161 . 1 1 14 14 GLN NE2 N 15 110.291 0.150 . . . . . A 14 GLN NE2 . 25791 1 162 . 1 1 15 15 THR H H 1 7.741 0.015 . . . . . A 15 THR H . 25791 1 163 . 1 1 15 15 THR HA H 1 3.899 0.015 . . . . . A 15 THR HA . 25791 1 164 . 1 1 15 15 THR HB H 1 2.503 0.015 . . . . . A 15 THR HB . 25791 1 165 . 1 1 15 15 THR HG1 H 1 5.703 0.015 . . . . . A 15 THR HG1 . 25791 1 166 . 1 1 15 15 THR HG21 H 1 0.380 0.015 . . . . . A 15 THR HG21 . 25791 1 167 . 1 1 15 15 THR HG22 H 1 0.380 0.015 . . . . . A 15 THR HG22 . 25791 1 168 . 1 1 15 15 THR HG23 H 1 0.380 0.015 . . . . . A 15 THR HG23 . 25791 1 169 . 1 1 15 15 THR C C 13 174.683 0.150 . . . . . A 15 THR C . 25791 1 170 . 1 1 15 15 THR CA C 13 61.551 0.150 . . . . . A 15 THR CA . 25791 1 171 . 1 1 15 15 THR CB C 13 69.226 0.150 . . . . . A 15 THR CB . 25791 1 172 . 1 1 15 15 THR CG2 C 13 21.944 0.150 . . . . . A 15 THR CG2 . 25791 1 173 . 1 1 15 15 THR N N 15 107.493 0.150 . . . . . A 15 THR N . 25791 1 174 . 1 1 16 16 ALA H H 1 6.873 0.015 . . . . . A 16 ALA H . 25791 1 175 . 1 1 16 16 ALA HA H 1 4.135 0.015 . . . . . A 16 ALA HA . 25791 1 176 . 1 1 16 16 ALA HB1 H 1 1.519 0.015 . . . . . A 16 ALA HB1 . 25791 1 177 . 1 1 16 16 ALA HB2 H 1 1.519 0.015 . . . . . A 16 ALA HB2 . 25791 1 178 . 1 1 16 16 ALA HB3 H 1 1.519 0.015 . . . . . A 16 ALA HB3 . 25791 1 179 . 1 1 16 16 ALA C C 13 179.899 0.150 . . . . . A 16 ALA C . 25791 1 180 . 1 1 16 16 ALA CA C 13 56.207 0.150 . . . . . A 16 ALA CA . 25791 1 181 . 1 1 16 16 ALA CB C 13 18.724 0.150 . . . . . A 16 ALA CB . 25791 1 182 . 1 1 16 16 ALA N N 15 124.034 0.150 . . . . . A 16 ALA N . 25791 1 183 . 1 1 17 17 VAL H H 1 8.162 0.015 . . . . . A 17 VAL H . 25791 1 184 . 1 1 17 17 VAL HA H 1 3.714 0.015 . . . . . A 17 VAL HA . 25791 1 185 . 1 1 17 17 VAL HB H 1 1.978 0.015 . . . . . A 17 VAL HB . 25791 1 186 . 1 1 17 17 VAL HG11 H 1 1.048 0.015 . . . . . A 17 VAL HG11 . 25791 1 187 . 1 1 17 17 VAL HG12 H 1 1.048 0.015 . . . . . A 17 VAL HG12 . 25791 1 188 . 1 1 17 17 VAL HG13 H 1 1.048 0.015 . . . . . A 17 VAL HG13 . 25791 1 189 . 1 1 17 17 VAL HG21 H 1 0.897 0.015 . . . . . A 17 VAL HG21 . 25791 1 190 . 1 1 17 17 VAL HG22 H 1 0.897 0.015 . . . . . A 17 VAL HG22 . 25791 1 191 . 1 1 17 17 VAL HG23 H 1 0.897 0.015 . . . . . A 17 VAL HG23 . 25791 1 192 . 1 1 17 17 VAL C C 13 178.537 0.150 . . . . . A 17 VAL C . 25791 1 193 . 1 1 17 17 VAL CA C 13 66.508 0.150 . . . . . A 17 VAL CA . 25791 1 194 . 1 1 17 17 VAL CB C 13 31.693 0.150 . . . . . A 17 VAL CB . 25791 1 195 . 1 1 17 17 VAL CG1 C 13 22.530 0.150 . . . . . A 17 VAL CG1 . 25791 1 196 . 1 1 17 17 VAL CG2 C 13 20.919 0.150 . . . . . A 17 VAL CG2 . 25791 1 197 . 1 1 17 17 VAL N N 15 117.150 0.150 . . . . . A 17 VAL N . 25791 1 198 . 1 1 18 18 GLN H H 1 8.451 0.015 . . . . . A 18 GLN H . 25791 1 199 . 1 1 18 18 GLN HA H 1 4.057 0.015 . . . . . A 18 GLN HA . 25791 1 200 . 1 1 18 18 GLN HB2 H 1 1.759 0.015 . . . . . A 18 GLN HB2 . 25791 1 201 . 1 1 18 18 GLN HB3 H 1 1.849 0.015 . . . . . A 18 GLN HB3 . 25791 1 202 . 1 1 18 18 GLN HG2 H 1 2.365 0.015 . . . . . A 18 GLN HG2 . 25791 1 203 . 1 1 18 18 GLN HG3 H 1 2.328 0.015 . . . . . A 18 GLN HG3 . 25791 1 204 . 1 1 18 18 GLN HE21 H 1 7.426 0.015 . . . . . A 18 GLN HE21 . 25791 1 205 . 1 1 18 18 GLN HE22 H 1 6.937 0.015 . . . . . A 18 GLN HE22 . 25791 1 206 . 1 1 18 18 GLN C C 13 180.429 0.150 . . . . . A 18 GLN C . 25791 1 207 . 1 1 18 18 GLN CA C 13 59.699 0.150 . . . . . A 18 GLN CA . 25791 1 208 . 1 1 18 18 GLN CB C 13 29.186 0.150 . . . . . A 18 GLN CB . 25791 1 209 . 1 1 18 18 GLN CG C 13 35.136 0.150 . . . . . A 18 GLN CG . 25791 1 210 . 1 1 18 18 GLN N N 15 119.489 0.150 . . . . . A 18 GLN N . 25791 1 211 . 1 1 18 18 GLN NE2 N 15 111.475 0.150 . . . . . A 18 GLN NE2 . 25791 1 212 . 1 1 19 19 PHE H H 1 8.924 0.015 . . . . . A 19 PHE H . 25791 1 213 . 1 1 19 19 PHE HA H 1 4.830 0.015 . . . . . A 19 PHE HA . 25791 1 214 . 1 1 19 19 PHE HB2 H 1 3.430 0.015 . . . . . A 19 PHE HB2 . 25791 1 215 . 1 1 19 19 PHE HB3 H 1 3.143 0.015 . . . . . A 19 PHE HB3 . 25791 1 216 . 1 1 19 19 PHE HD1 H 1 6.945 0.015 . . . . . A 19 PHE HD1 . 25791 1 217 . 1 1 19 19 PHE HD2 H 1 6.945 0.015 . . . . . A 19 PHE HD2 . 25791 1 218 . 1 1 19 19 PHE HE1 H 1 7.318 0.015 . . . . . A 19 PHE HE1 . 25791 1 219 . 1 1 19 19 PHE HE2 H 1 7.318 0.015 . . . . . A 19 PHE HE2 . 25791 1 220 . 1 1 19 19 PHE HZ H 1 6.765 0.015 . . . . . A 19 PHE HZ . 25791 1 221 . 1 1 19 19 PHE C C 13 177.858 0.150 . . . . . A 19 PHE C . 25791 1 222 . 1 1 19 19 PHE CA C 13 57.029 0.150 . . . . . A 19 PHE CA . 25791 1 223 . 1 1 19 19 PHE CB C 13 35.905 0.150 . . . . . A 19 PHE CB . 25791 1 224 . 1 1 19 19 PHE CD1 C 13 128.818 0.150 . . . . . A 19 PHE CD1 . 25791 1 225 . 1 1 19 19 PHE CE1 C 13 132.077 0.150 . . . . . A 19 PHE CE1 . 25791 1 226 . 1 1 19 19 PHE CZ C 13 128.423 0.150 . . . . . A 19 PHE CZ . 25791 1 227 . 1 1 19 19 PHE N N 15 117.940 0.150 . . . . . A 19 PHE N . 25791 1 228 . 1 1 20 20 GLN H H 1 8.264 0.015 . . . . . A 20 GLN H . 25791 1 229 . 1 1 20 20 GLN HA H 1 4.106 0.015 . . . . . A 20 GLN HA . 25791 1 230 . 1 1 20 20 GLN HB2 H 1 2.336 0.015 . . . . . A 20 GLN HB2 . 25791 1 231 . 1 1 20 20 GLN HB3 H 1 2.258 0.015 . . . . . A 20 GLN HB3 . 25791 1 232 . 1 1 20 20 GLN HG2 H 1 2.606 0.015 . . . . . A 20 GLN HG2 . 25791 1 233 . 1 1 20 20 GLN HG3 H 1 2.503 0.015 . . . . . A 20 GLN HG3 . 25791 1 234 . 1 1 20 20 GLN HE21 H 1 7.388 0.015 . . . . . A 20 GLN HE21 . 25791 1 235 . 1 1 20 20 GLN HE22 H 1 6.787 0.015 . . . . . A 20 GLN HE22 . 25791 1 236 . 1 1 20 20 GLN C C 13 178.986 0.150 . . . . . A 20 GLN C . 25791 1 237 . 1 1 20 20 GLN CA C 13 59.563 0.150 . . . . . A 20 GLN CA . 25791 1 238 . 1 1 20 20 GLN CB C 13 27.895 0.150 . . . . . A 20 GLN CB . 25791 1 239 . 1 1 20 20 GLN CG C 13 34.196 0.150 . . . . . A 20 GLN CG . 25791 1 240 . 1 1 20 20 GLN N N 15 120.297 0.150 . . . . . A 20 GLN N . 25791 1 241 . 1 1 20 20 GLN NE2 N 15 110.955 0.150 . . . . . A 20 GLN NE2 . 25791 1 242 . 1 1 21 21 GLN H H 1 8.527 0.015 . . . . . A 21 GLN H . 25791 1 243 . 1 1 21 21 GLN HA H 1 4.082 0.015 . . . . . A 21 GLN HA . 25791 1 244 . 1 1 21 21 GLN HB2 H 1 2.237 0.015 . . . . . A 21 GLN HB2 . 25791 1 245 . 1 1 21 21 GLN HB3 H 1 2.121 0.015 . . . . . A 21 GLN HB3 . 25791 1 246 . 1 1 21 21 GLN HG2 H 1 2.646 0.015 . . . . . A 21 GLN HG2 . 25791 1 247 . 1 1 21 21 GLN HG3 H 1 2.404 0.015 . . . . . A 21 GLN HG3 . 25791 1 248 . 1 1 21 21 GLN HE21 H 1 7.467 0.015 . . . . . A 21 GLN HE21 . 25791 1 249 . 1 1 21 21 GLN HE22 H 1 6.799 0.015 . . . . . A 21 GLN HE22 . 25791 1 250 . 1 1 21 21 GLN C C 13 178.806 0.150 . . . . . A 21 GLN C . 25791 1 251 . 1 1 21 21 GLN CA C 13 59.170 0.150 . . . . . A 21 GLN CA . 25791 1 252 . 1 1 21 21 GLN CB C 13 28.196 0.150 . . . . . A 21 GLN CB . 25791 1 253 . 1 1 21 21 GLN CG C 13 34.239 0.150 . . . . . A 21 GLN CG . 25791 1 254 . 1 1 21 21 GLN N N 15 118.595 0.150 . . . . . A 21 GLN N . 25791 1 255 . 1 1 21 21 GLN NE2 N 15 111.478 0.150 . . . . . A 21 GLN NE2 . 25791 1 256 . 1 1 22 22 TYR H H 1 7.843 0.015 . . . . . A 22 TYR H . 25791 1 257 . 1 1 22 22 TYR HA H 1 4.247 0.015 . . . . . A 22 TYR HA . 25791 1 258 . 1 1 22 22 TYR HB2 H 1 3.330 0.015 . . . . . A 22 TYR HB2 . 25791 1 259 . 1 1 22 22 TYR HB3 H 1 2.865 0.015 . . . . . A 22 TYR HB3 . 25791 1 260 . 1 1 22 22 TYR HD1 H 1 6.958 0.015 . . . . . A 22 TYR HD1 . 25791 1 261 . 1 1 22 22 TYR HD2 H 1 6.958 0.015 . . . . . A 22 TYR HD2 . 25791 1 262 . 1 1 22 22 TYR HE1 H 1 6.649 0.015 . . . . . A 22 TYR HE1 . 25791 1 263 . 1 1 22 22 TYR HE2 H 1 6.649 0.015 . . . . . A 22 TYR HE2 . 25791 1 264 . 1 1 22 22 TYR C C 13 177.789 0.150 . . . . . A 22 TYR C . 25791 1 265 . 1 1 22 22 TYR CA C 13 61.712 0.150 . . . . . A 22 TYR CA . 25791 1 266 . 1 1 22 22 TYR CB C 13 38.724 0.150 . . . . . A 22 TYR CB . 25791 1 267 . 1 1 22 22 TYR CD1 C 13 132.543 0.150 . . . . . A 22 TYR CD1 . 25791 1 268 . 1 1 22 22 TYR CE1 C 13 118.175 0.150 . . . . . A 22 TYR CE1 . 25791 1 269 . 1 1 22 22 TYR N N 15 119.594 0.150 . . . . . A 22 TYR N . 25791 1 270 . 1 1 23 23 ALA H H 1 8.612 0.015 . . . . . A 23 ALA H . 25791 1 271 . 1 1 23 23 ALA HA H 1 3.857 0.015 . . . . . A 23 ALA HA . 25791 1 272 . 1 1 23 23 ALA HB1 H 1 1.556 0.015 . . . . . A 23 ALA HB1 . 25791 1 273 . 1 1 23 23 ALA HB2 H 1 1.556 0.015 . . . . . A 23 ALA HB2 . 25791 1 274 . 1 1 23 23 ALA HB3 H 1 1.556 0.015 . . . . . A 23 ALA HB3 . 25791 1 275 . 1 1 23 23 ALA C C 13 179.319 0.150 . . . . . A 23 ALA C . 25791 1 276 . 1 1 23 23 ALA CA C 13 55.589 0.150 . . . . . A 23 ALA CA . 25791 1 277 . 1 1 23 23 ALA CB C 13 18.482 0.150 . . . . . A 23 ALA CB . 25791 1 278 . 1 1 23 23 ALA N N 15 120.663 0.150 . . . . . A 23 ALA N . 25791 1 279 . 1 1 24 24 ALA H H 1 8.168 0.015 . . . . . A 24 ALA H . 25791 1 280 . 1 1 24 24 ALA HA H 1 3.938 0.015 . . . . . A 24 ALA HA . 25791 1 281 . 1 1 24 24 ALA HB1 H 1 1.449 0.015 . . . . . A 24 ALA HB1 . 25791 1 282 . 1 1 24 24 ALA HB2 H 1 1.449 0.015 . . . . . A 24 ALA HB2 . 25791 1 283 . 1 1 24 24 ALA HB3 H 1 1.449 0.015 . . . . . A 24 ALA HB3 . 25791 1 284 . 1 1 24 24 ALA C C 13 178.987 0.150 . . . . . A 24 ALA C . 25791 1 285 . 1 1 24 24 ALA CA C 13 54.317 0.150 . . . . . A 24 ALA CA . 25791 1 286 . 1 1 24 24 ALA CB C 13 17.891 0.150 . . . . . A 24 ALA CB . 25791 1 287 . 1 1 24 24 ALA N N 15 119.002 0.150 . . . . . A 24 ALA N . 25791 1 288 . 1 1 25 25 GLN H H 1 7.300 0.015 . . . . . A 25 GLN H . 25791 1 289 . 1 1 25 25 GLN HA H 1 4.004 0.015 . . . . . A 25 GLN HA . 25791 1 290 . 1 1 25 25 GLN HB2 H 1 2.123 0.015 . . . . . A 25 GLN HB2 . 25791 1 291 . 1 1 25 25 GLN HB3 H 1 2.026 0.015 . . . . . A 25 GLN HB3 . 25791 1 292 . 1 1 25 25 GLN HG2 H 1 2.474 0.015 . . . . . A 25 GLN HG2 . 25791 1 293 . 1 1 25 25 GLN HG3 H 1 2.285 0.015 . . . . . A 25 GLN HG3 . 25791 1 294 . 1 1 25 25 GLN C C 13 177.818 0.150 . . . . . A 25 GLN C . 25791 1 295 . 1 1 25 25 GLN CA C 13 57.454 0.150 . . . . . A 25 GLN CA . 25791 1 296 . 1 1 25 25 GLN CB C 13 28.455 0.150 . . . . . A 25 GLN CB . 25791 1 297 . 1 1 25 25 GLN CG C 13 33.896 0.150 . . . . . A 25 GLN CG . 25791 1 298 . 1 1 25 25 GLN N N 15 115.599 0.150 . . . . . A 25 GLN N . 25791 1 299 . 1 1 26 26 GLN H H 1 7.401 0.015 . . . . . A 26 GLN H . 25791 1 300 . 1 1 26 26 GLN HA H 1 3.704 0.015 . . . . . A 26 GLN HA . 25791 1 301 . 1 1 26 26 GLN HB2 H 1 1.364 0.015 . . . . . A 26 GLN HB2 . 25791 1 302 . 1 1 26 26 GLN HB3 H 1 1.235 0.015 . . . . . A 26 GLN HB3 . 25791 1 303 . 1 1 26 26 GLN HG2 H 1 1.528 0.015 . . . . . A 26 GLN HG2 . 25791 1 304 . 1 1 26 26 GLN HG3 H 1 1.372 0.015 . . . . . A 26 GLN HG3 . 25791 1 305 . 1 1 26 26 GLN HE21 H 1 6.378 0.015 . . . . . A 26 GLN HE21 . 25791 1 306 . 1 1 26 26 GLN HE22 H 1 6.665 0.015 . . . . . A 26 GLN HE22 . 25791 1 307 . 1 1 26 26 GLN C C 13 175.979 0.150 . . . . . A 26 GLN C . 25791 1 308 . 1 1 26 26 GLN CA C 13 56.788 0.150 . . . . . A 26 GLN CA . 25791 1 309 . 1 1 26 26 GLN CB C 13 29.080 0.150 . . . . . A 26 GLN CB . 25791 1 310 . 1 1 26 26 GLN CG C 13 33.102 0.150 . . . . . A 26 GLN CG . 25791 1 311 . 1 1 26 26 GLN N N 15 116.989 0.150 . . . . . A 26 GLN N . 25791 1 312 . 1 1 26 26 GLN NE2 N 15 113.001 0.150 . . . . . A 26 GLN NE2 . 25791 1 313 . 1 1 27 27 TYR H H 1 7.675 0.015 . . . . . A 27 TYR H . 25791 1 314 . 1 1 27 27 TYR HA H 1 5.078 0.015 . . . . . A 27 TYR HA . 25791 1 315 . 1 1 27 27 TYR HB2 H 1 2.616 0.015 . . . . . A 27 TYR HB2 . 25791 1 316 . 1 1 27 27 TYR HB3 H 1 3.219 0.015 . . . . . A 27 TYR HB3 . 25791 1 317 . 1 1 27 27 TYR HD1 H 1 6.932 0.015 . . . . . A 27 TYR HD1 . 25791 1 318 . 1 1 27 27 TYR HD2 H 1 6.932 0.015 . . . . . A 27 TYR HD2 . 25791 1 319 . 1 1 27 27 TYR HE1 H 1 6.788 0.015 . . . . . A 27 TYR HE1 . 25791 1 320 . 1 1 27 27 TYR HE2 H 1 6.788 0.015 . . . . . A 27 TYR HE2 . 25791 1 321 . 1 1 27 27 TYR C C 13 172.931 0.150 . . . . . A 27 TYR C . 25791 1 322 . 1 1 27 27 TYR CA C 13 55.167 0.150 . . . . . A 27 TYR CA . 25791 1 323 . 1 1 27 27 TYR CB C 13 39.660 0.150 . . . . . A 27 TYR CB . 25791 1 324 . 1 1 27 27 TYR CD1 C 13 133.272 0.150 . . . . . A 27 TYR CD1 . 25791 1 325 . 1 1 27 27 TYR CE1 C 13 118.291 0.150 . . . . . A 27 TYR CE1 . 25791 1 326 . 1 1 27 27 TYR N N 15 114.712 0.150 . . . . . A 27 TYR N . 25791 1 327 . 1 1 28 28 PRO HA H 1 4.362 0.015 . . . . . A 28 PRO HA . 25791 1 328 . 1 1 28 28 PRO HB2 H 1 2.285 0.015 . . . . . A 28 PRO HB2 . 25791 1 329 . 1 1 28 28 PRO HB3 H 1 1.939 0.015 . . . . . A 28 PRO HB3 . 25791 1 330 . 1 1 28 28 PRO HG2 H 1 1.999 0.015 . . . . . A 28 PRO HG2 . 25791 1 331 . 1 1 28 28 PRO HG3 H 1 1.999 0.015 . . . . . A 28 PRO HG3 . 25791 1 332 . 1 1 28 28 PRO HD2 H 1 3.414 0.015 . . . . . A 28 PRO HD2 . 25791 1 333 . 1 1 28 28 PRO HD3 H 1 3.217 0.015 . . . . . A 28 PRO HD3 . 25791 1 334 . 1 1 28 28 PRO C C 13 179.333 0.150 . . . . . A 28 PRO C . 25791 1 335 . 1 1 28 28 PRO CA C 13 64.394 0.150 . . . . . A 28 PRO CA . 25791 1 336 . 1 1 28 28 PRO CB C 13 31.254 0.150 . . . . . A 28 PRO CB . 25791 1 337 . 1 1 28 28 PRO CG C 13 27.691 0.150 . . . . . A 28 PRO CG . 25791 1 338 . 1 1 28 28 PRO CD C 13 50.130 0.150 . . . . . A 28 PRO CD . 25791 1 339 . 1 1 29 29 GLY H H 1 8.826 0.015 . . . . . A 29 GLY H . 25791 1 340 . 1 1 29 29 GLY HA2 H 1 4.014 0.015 . . . . . A 29 GLY HA2 . 25791 1 341 . 1 1 29 29 GLY HA3 H 1 3.861 0.015 . . . . . A 29 GLY HA3 . 25791 1 342 . 1 1 29 29 GLY C C 13 173.218 0.150 . . . . . A 29 GLY C . 25791 1 343 . 1 1 29 29 GLY CA C 13 45.912 0.150 . . . . . A 29 GLY CA . 25791 1 344 . 1 1 29 29 GLY N N 15 110.091 0.150 . . . . . A 29 GLY N . 25791 1 345 . 1 1 30 30 ASN H H 1 7.293 0.015 . . . . . A 30 ASN H . 25791 1 346 . 1 1 30 30 ASN HA H 1 4.999 0.015 . . . . . A 30 ASN HA . 25791 1 347 . 1 1 30 30 ASN HB2 H 1 2.464 0.015 . . . . . A 30 ASN HB2 . 25791 1 348 . 1 1 30 30 ASN HB3 H 1 3.095 0.015 . . . . . A 30 ASN HB3 . 25791 1 349 . 1 1 30 30 ASN HD21 H 1 7.824 0.015 . . . . . A 30 ASN HD21 . 25791 1 350 . 1 1 30 30 ASN HD22 H 1 6.974 0.015 . . . . . A 30 ASN HD22 . 25791 1 351 . 1 1 30 30 ASN C C 13 173.977 0.150 . . . . . A 30 ASN C . 25791 1 352 . 1 1 30 30 ASN CA C 13 51.185 0.150 . . . . . A 30 ASN CA . 25791 1 353 . 1 1 30 30 ASN CB C 13 38.426 0.150 . . . . . A 30 ASN CB . 25791 1 354 . 1 1 30 30 ASN N N 15 118.603 0.150 . . . . . A 30 ASN N . 25791 1 355 . 1 1 30 30 ASN ND2 N 15 112.728 0.150 . . . . . A 30 ASN ND2 . 25791 1 356 . 1 1 31 31 TYR H H 1 8.509 0.015 . . . . . A 31 TYR H . 25791 1 357 . 1 1 31 31 TYR HA H 1 3.898 0.015 . . . . . A 31 TYR HA . 25791 1 358 . 1 1 31 31 TYR HB2 H 1 2.981 0.015 . . . . . A 31 TYR HB2 . 25791 1 359 . 1 1 31 31 TYR HB3 H 1 3.118 0.015 . . . . . A 31 TYR HB3 . 25791 1 360 . 1 1 31 31 TYR HD1 H 1 7.097 0.015 . . . . . A 31 TYR HD1 . 25791 1 361 . 1 1 31 31 TYR HD2 H 1 7.097 0.015 . . . . . A 31 TYR HD2 . 25791 1 362 . 1 1 31 31 TYR HE1 H 1 6.830 0.015 . . . . . A 31 TYR HE1 . 25791 1 363 . 1 1 31 31 TYR HE2 H 1 6.830 0.015 . . . . . A 31 TYR HE2 . 25791 1 364 . 1 1 31 31 TYR C C 13 177.343 0.150 . . . . . A 31 TYR C . 25791 1 365 . 1 1 31 31 TYR CA C 13 61.811 0.150 . . . . . A 31 TYR CA . 25791 1 366 . 1 1 31 31 TYR CB C 13 38.357 0.150 . . . . . A 31 TYR CB . 25791 1 367 . 1 1 31 31 TYR CD2 C 13 133.134 0.150 . . . . . A 31 TYR CD2 . 25791 1 368 . 1 1 31 31 TYR CE2 C 13 118.383 0.150 . . . . . A 31 TYR CE2 . 25791 1 369 . 1 1 31 31 TYR N N 15 125.240 0.150 . . . . . A 31 TYR N . 25791 1 370 . 1 1 32 32 GLU H H 1 8.714 0.015 . . . . . A 32 GLU H . 25791 1 371 . 1 1 32 32 GLU HA H 1 3.900 0.015 . . . . . A 32 GLU HA . 25791 1 372 . 1 1 32 32 GLU HB2 H 1 2.016 0.015 . . . . . A 32 GLU HB2 . 25791 1 373 . 1 1 32 32 GLU HB3 H 1 2.158 0.015 . . . . . A 32 GLU HB3 . 25791 1 374 . 1 1 32 32 GLU HG2 H 1 2.311 0.015 . . . . . A 32 GLU HG2 . 25791 1 375 . 1 1 32 32 GLU HG3 H 1 2.311 0.015 . . . . . A 32 GLU HG3 . 25791 1 376 . 1 1 32 32 GLU C C 13 179.549 0.150 . . . . . A 32 GLU C . 25791 1 377 . 1 1 32 32 GLU CA C 13 60.112 0.150 . . . . . A 32 GLU CA . 25791 1 378 . 1 1 32 32 GLU CB C 13 29.168 0.150 . . . . . A 32 GLU CB . 25791 1 379 . 1 1 32 32 GLU CG C 13 36.615 0.150 . . . . . A 32 GLU CG . 25791 1 380 . 1 1 32 32 GLU N N 15 118.993 0.150 . . . . . A 32 GLU N . 25791 1 381 . 1 1 33 33 GLN H H 1 7.536 0.015 . . . . . A 33 GLN H . 25791 1 382 . 1 1 33 33 GLN HA H 1 3.733 0.015 . . . . . A 33 GLN HA . 25791 1 383 . 1 1 33 33 GLN HB2 H 1 1.370 0.015 . . . . . A 33 GLN HB2 . 25791 1 384 . 1 1 33 33 GLN HB3 H 1 0.867 0.015 . . . . . A 33 GLN HB3 . 25791 1 385 . 1 1 33 33 GLN HG2 H 1 1.772 0.015 . . . . . A 33 GLN HG2 . 25791 1 386 . 1 1 33 33 GLN HG3 H 1 1.772 0.015 . . . . . A 33 GLN HG3 . 25791 1 387 . 1 1 33 33 GLN HE21 H 1 6.938 0.015 . . . . . A 33 GLN HE21 . 25791 1 388 . 1 1 33 33 GLN HE22 H 1 6.674 0.015 . . . . . A 33 GLN HE22 . 25791 1 389 . 1 1 33 33 GLN C C 13 179.119 0.150 . . . . . A 33 GLN C . 25791 1 390 . 1 1 33 33 GLN CA C 13 57.702 0.150 . . . . . A 33 GLN CA . 25791 1 391 . 1 1 33 33 GLN CB C 13 27.626 0.150 . . . . . A 33 GLN CB . 25791 1 392 . 1 1 33 33 GLN CG C 13 33.036 0.150 . . . . . A 33 GLN CG . 25791 1 393 . 1 1 33 33 GLN N N 15 117.037 0.150 . . . . . A 33 GLN N . 25791 1 394 . 1 1 33 33 GLN NE2 N 15 112.107 0.150 . . . . . A 33 GLN NE2 . 25791 1 395 . 1 1 34 34 GLN H H 1 7.968 0.015 . . . . . A 34 GLN H . 25791 1 396 . 1 1 34 34 GLN HA H 1 3.811 0.015 . . . . . A 34 GLN HA . 25791 1 397 . 1 1 34 34 GLN HB2 H 1 2.303 0.015 . . . . . A 34 GLN HB2 . 25791 1 398 . 1 1 34 34 GLN HB3 H 1 1.922 0.015 . . . . . A 34 GLN HB3 . 25791 1 399 . 1 1 34 34 GLN HG2 H 1 3.080 0.015 . . . . . A 34 GLN HG2 . 25791 1 400 . 1 1 34 34 GLN HG3 H 1 2.218 0.015 . . . . . A 34 GLN HG3 . 25791 1 401 . 1 1 34 34 GLN HE21 H 1 7.764 0.015 . . . . . A 34 GLN HE21 . 25791 1 402 . 1 1 34 34 GLN HE22 H 1 6.969 0.015 . . . . . A 34 GLN HE22 . 25791 1 403 . 1 1 34 34 GLN C C 13 177.634 0.150 . . . . . A 34 GLN C . 25791 1 404 . 1 1 34 34 GLN CA C 13 60.165 0.150 . . . . . A 34 GLN CA . 25791 1 405 . 1 1 34 34 GLN CB C 13 27.501 0.150 . . . . . A 34 GLN CB . 25791 1 406 . 1 1 34 34 GLN CG C 13 33.528 0.150 . . . . . A 34 GLN CG . 25791 1 407 . 1 1 34 34 GLN N N 15 117.723 0.150 . . . . . A 34 GLN N . 25791 1 408 . 1 1 34 34 GLN NE2 N 15 110.314 0.150 . . . . . A 34 GLN NE2 . 25791 1 409 . 1 1 35 35 GLN H H 1 7.870 0.015 . . . . . A 35 GLN H . 25791 1 410 . 1 1 35 35 GLN HA H 1 3.791 0.015 . . . . . A 35 GLN HA . 25791 1 411 . 1 1 35 35 GLN HB2 H 1 2.025 0.015 . . . . . A 35 GLN HB2 . 25791 1 412 . 1 1 35 35 GLN HB3 H 1 2.025 0.015 . . . . . A 35 GLN HB3 . 25791 1 413 . 1 1 35 35 GLN HG2 H 1 2.016 0.015 . . . . . A 35 GLN HG2 . 25791 1 414 . 1 1 35 35 GLN HG3 H 1 2.096 0.015 . . . . . A 35 GLN HG3 . 25791 1 415 . 1 1 35 35 GLN HE21 H 1 6.938 0.015 . . . . . A 35 GLN HE21 . 25791 1 416 . 1 1 35 35 GLN HE22 H 1 6.837 0.015 . . . . . A 35 GLN HE22 . 25791 1 417 . 1 1 35 35 GLN C C 13 178.757 0.150 . . . . . A 35 GLN C . 25791 1 418 . 1 1 35 35 GLN CA C 13 58.610 0.150 . . . . . A 35 GLN CA . 25791 1 419 . 1 1 35 35 GLN CB C 13 28.205 0.150 . . . . . A 35 GLN CB . 25791 1 420 . 1 1 35 35 GLN CG C 13 33.884 0.150 . . . . . A 35 GLN CG . 25791 1 421 . 1 1 35 35 GLN N N 15 115.293 0.150 . . . . . A 35 GLN N . 25791 1 422 . 1 1 35 35 GLN NE2 N 15 114.540 0.150 . . . . . A 35 GLN NE2 . 25791 1 423 . 1 1 36 36 ILE H H 1 7.503 0.015 . . . . . A 36 ILE H . 25791 1 424 . 1 1 36 36 ILE HA H 1 3.564 0.015 . . . . . A 36 ILE HA . 25791 1 425 . 1 1 36 36 ILE HB H 1 1.708 0.015 . . . . . A 36 ILE HB . 25791 1 426 . 1 1 36 36 ILE HG12 H 1 1.014 0.015 . . . . . A 36 ILE HG12 . 25791 1 427 . 1 1 36 36 ILE HG13 H 1 1.693 0.015 . . . . . A 36 ILE HG13 . 25791 1 428 . 1 1 36 36 ILE HG21 H 1 0.844 0.015 . . . . . A 36 ILE HG21 . 25791 1 429 . 1 1 36 36 ILE HG22 H 1 0.844 0.015 . . . . . A 36 ILE HG22 . 25791 1 430 . 1 1 36 36 ILE HG23 H 1 0.844 0.015 . . . . . A 36 ILE HG23 . 25791 1 431 . 1 1 36 36 ILE HD11 H 1 0.751 0.015 . . . . . A 36 ILE HD11 . 25791 1 432 . 1 1 36 36 ILE HD12 H 1 0.751 0.015 . . . . . A 36 ILE HD12 . 25791 1 433 . 1 1 36 36 ILE HD13 H 1 0.751 0.015 . . . . . A 36 ILE HD13 . 25791 1 434 . 1 1 36 36 ILE C C 13 178.273 0.150 . . . . . A 36 ILE C . 25791 1 435 . 1 1 36 36 ILE CA C 13 65.236 0.150 . . . . . A 36 ILE CA . 25791 1 436 . 1 1 36 36 ILE CB C 13 38.373 0.150 . . . . . A 36 ILE CB . 25791 1 437 . 1 1 36 36 ILE CG1 C 13 29.305 0.150 . . . . . A 36 ILE CG1 . 25791 1 438 . 1 1 36 36 ILE CG2 C 13 16.883 0.150 . . . . . A 36 ILE CG2 . 25791 1 439 . 1 1 36 36 ILE CD1 C 13 13.355 0.150 . . . . . A 36 ILE CD1 . 25791 1 440 . 1 1 36 36 ILE N N 15 120.769 0.150 . . . . . A 36 ILE N . 25791 1 441 . 1 1 37 37 LEU H H 1 7.678 0.015 . . . . . A 37 LEU H . 25791 1 442 . 1 1 37 37 LEU HA H 1 4.309 0.015 . . . . . A 37 LEU HA . 25791 1 443 . 1 1 37 37 LEU HB2 H 1 2.111 0.015 . . . . . A 37 LEU HB2 . 25791 1 444 . 1 1 37 37 LEU HB3 H 1 1.787 0.015 . . . . . A 37 LEU HB3 . 25791 1 445 . 1 1 37 37 LEU HG H 1 1.622 0.015 . . . . . A 37 LEU HG . 25791 1 446 . 1 1 37 37 LEU HD11 H 1 1.100 0.015 . . . . . A 37 LEU HD11 . 25791 1 447 . 1 1 37 37 LEU HD12 H 1 1.100 0.015 . . . . . A 37 LEU HD12 . 25791 1 448 . 1 1 37 37 LEU HD13 H 1 1.100 0.015 . . . . . A 37 LEU HD13 . 25791 1 449 . 1 1 37 37 LEU HD21 H 1 1.157 0.015 . . . . . A 37 LEU HD21 . 25791 1 450 . 1 1 37 37 LEU HD22 H 1 1.157 0.015 . . . . . A 37 LEU HD22 . 25791 1 451 . 1 1 37 37 LEU HD23 H 1 1.157 0.015 . . . . . A 37 LEU HD23 . 25791 1 452 . 1 1 37 37 LEU C C 13 178.348 0.150 . . . . . A 37 LEU C . 25791 1 453 . 1 1 37 37 LEU CA C 13 57.734 0.150 . . . . . A 37 LEU CA . 25791 1 454 . 1 1 37 37 LEU CB C 13 41.516 0.150 . . . . . A 37 LEU CB . 25791 1 455 . 1 1 37 37 LEU CG C 13 27.552 0.150 . . . . . A 37 LEU CG . 25791 1 456 . 1 1 37 37 LEU CD1 C 13 26.765 0.150 . . . . . A 37 LEU CD1 . 25791 1 457 . 1 1 37 37 LEU CD2 C 13 22.803 0.150 . . . . . A 37 LEU CD2 . 25791 1 458 . 1 1 37 37 LEU N N 15 121.056 0.150 . . . . . A 37 LEU N . 25791 1 459 . 1 1 38 38 ILE H H 1 8.702 0.015 . . . . . A 38 ILE H . 25791 1 460 . 1 1 38 38 ILE HA H 1 3.341 0.015 . . . . . A 38 ILE HA . 25791 1 461 . 1 1 38 38 ILE HB H 1 1.745 0.015 . . . . . A 38 ILE HB . 25791 1 462 . 1 1 38 38 ILE HG12 H 1 1.858 0.015 . . . . . A 38 ILE HG12 . 25791 1 463 . 1 1 38 38 ILE HG13 H 1 0.687 0.015 . . . . . A 38 ILE HG13 . 25791 1 464 . 1 1 38 38 ILE HG21 H 1 0.925 0.015 . . . . . A 38 ILE HG21 . 25791 1 465 . 1 1 38 38 ILE HG22 H 1 0.925 0.015 . . . . . A 38 ILE HG22 . 25791 1 466 . 1 1 38 38 ILE HG23 H 1 0.925 0.015 . . . . . A 38 ILE HG23 . 25791 1 467 . 1 1 38 38 ILE HD11 H 1 0.877 0.015 . . . . . A 38 ILE HD11 . 25791 1 468 . 1 1 38 38 ILE HD12 H 1 0.877 0.015 . . . . . A 38 ILE HD12 . 25791 1 469 . 1 1 38 38 ILE HD13 H 1 0.877 0.015 . . . . . A 38 ILE HD13 . 25791 1 470 . 1 1 38 38 ILE C C 13 177.371 0.150 . . . . . A 38 ILE C . 25791 1 471 . 1 1 38 38 ILE CA C 13 67.085 0.150 . . . . . A 38 ILE CA . 25791 1 472 . 1 1 38 38 ILE CB C 13 38.349 0.150 . . . . . A 38 ILE CB . 25791 1 473 . 1 1 38 38 ILE CG1 C 13 30.736 0.150 . . . . . A 38 ILE CG1 . 25791 1 474 . 1 1 38 38 ILE CG2 C 13 17.330 0.150 . . . . . A 38 ILE CG2 . 25791 1 475 . 1 1 38 38 ILE CD1 C 13 14.241 0.150 . . . . . A 38 ILE CD1 . 25791 1 476 . 1 1 38 38 ILE N N 15 119.334 0.150 . . . . . A 38 ILE N . 25791 1 477 . 1 1 39 39 ARG H H 1 7.739 0.015 . . . . . A 39 ARG H . 25791 1 478 . 1 1 39 39 ARG HA H 1 4.215 0.015 . . . . . A 39 ARG HA . 25791 1 479 . 1 1 39 39 ARG HB2 H 1 1.944 0.015 . . . . . A 39 ARG HB2 . 25791 1 480 . 1 1 39 39 ARG HB3 H 1 1.944 0.015 . . . . . A 39 ARG HB3 . 25791 1 481 . 1 1 39 39 ARG HG2 H 1 1.839 0.015 . . . . . A 39 ARG HG2 . 25791 1 482 . 1 1 39 39 ARG HG3 H 1 1.700 0.015 . . . . . A 39 ARG HG3 . 25791 1 483 . 1 1 39 39 ARG HD2 H 1 3.222 0.015 . . . . . A 39 ARG HD2 . 25791 1 484 . 1 1 39 39 ARG HD3 H 1 3.260 0.015 . . . . . A 39 ARG HD3 . 25791 1 485 . 1 1 39 39 ARG C C 13 179.555 0.150 . . . . . A 39 ARG C . 25791 1 486 . 1 1 39 39 ARG CA C 13 59.459 0.150 . . . . . A 39 ARG CA . 25791 1 487 . 1 1 39 39 ARG CB C 13 29.752 0.150 . . . . . A 39 ARG CB . 25791 1 488 . 1 1 39 39 ARG CG C 13 27.795 0.150 . . . . . A 39 ARG CG . 25791 1 489 . 1 1 39 39 ARG CD C 13 43.535 0.150 . . . . . A 39 ARG CD . 25791 1 490 . 1 1 39 39 ARG N N 15 117.798 0.150 . . . . . A 39 ARG N . 25791 1 491 . 1 1 40 40 GLN H H 1 7.811 0.015 . . . . . A 40 GLN H . 25791 1 492 . 1 1 40 40 GLN HA H 1 4.137 0.015 . . . . . A 40 GLN HA . 25791 1 493 . 1 1 40 40 GLN HB2 H 1 2.426 0.015 . . . . . A 40 GLN HB2 . 25791 1 494 . 1 1 40 40 GLN HB3 H 1 2.124 0.015 . . . . . A 40 GLN HB3 . 25791 1 495 . 1 1 40 40 GLN HG2 H 1 2.627 0.015 . . . . . A 40 GLN HG2 . 25791 1 496 . 1 1 40 40 GLN HG3 H 1 2.341 0.015 . . . . . A 40 GLN HG3 . 25791 1 497 . 1 1 40 40 GLN HE21 H 1 7.284 0.015 . . . . . A 40 GLN HE21 . 25791 1 498 . 1 1 40 40 GLN HE22 H 1 6.706 0.015 . . . . . A 40 GLN HE22 . 25791 1 499 . 1 1 40 40 GLN C C 13 179.522 0.150 . . . . . A 40 GLN C . 25791 1 500 . 1 1 40 40 GLN CA C 13 59.260 0.150 . . . . . A 40 GLN CA . 25791 1 501 . 1 1 40 40 GLN CB C 13 28.358 0.150 . . . . . A 40 GLN CB . 25791 1 502 . 1 1 40 40 GLN CG C 13 33.888 0.150 . . . . . A 40 GLN CG . 25791 1 503 . 1 1 40 40 GLN N N 15 119.432 0.150 . . . . . A 40 GLN N . 25791 1 504 . 1 1 40 40 GLN NE2 N 15 110.195 0.150 . . . . . A 40 GLN NE2 . 25791 1 505 . 1 1 41 41 LEU H H 1 8.648 0.015 . . . . . A 41 LEU H . 25791 1 506 . 1 1 41 41 LEU HA H 1 3.687 0.015 . . . . . A 41 LEU HA . 25791 1 507 . 1 1 41 41 LEU HB2 H 1 1.312 0.015 . . . . . A 41 LEU HB2 . 25791 1 508 . 1 1 41 41 LEU HB3 H 1 -0.253 0.015 . . . . . A 41 LEU HB3 . 25791 1 509 . 1 1 41 41 LEU HG H 1 1.652 0.015 . . . . . A 41 LEU HG . 25791 1 510 . 1 1 41 41 LEU HD11 H 1 0.459 0.015 . . . . . A 41 LEU HD11 . 25791 1 511 . 1 1 41 41 LEU HD12 H 1 0.459 0.015 . . . . . A 41 LEU HD12 . 25791 1 512 . 1 1 41 41 LEU HD13 H 1 0.459 0.015 . . . . . A 41 LEU HD13 . 25791 1 513 . 1 1 41 41 LEU HD21 H 1 0.422 0.015 . . . . . A 41 LEU HD21 . 25791 1 514 . 1 1 41 41 LEU HD22 H 1 0.422 0.015 . . . . . A 41 LEU HD22 . 25791 1 515 . 1 1 41 41 LEU HD23 H 1 0.422 0.015 . . . . . A 41 LEU HD23 . 25791 1 516 . 1 1 41 41 LEU C C 13 178.974 0.150 . . . . . A 41 LEU C . 25791 1 517 . 1 1 41 41 LEU CA C 13 57.963 0.150 . . . . . A 41 LEU CA . 25791 1 518 . 1 1 41 41 LEU CB C 13 39.852 0.150 . . . . . A 41 LEU CB . 25791 1 519 . 1 1 41 41 LEU CG C 13 25.745 0.150 . . . . . A 41 LEU CG . 25791 1 520 . 1 1 41 41 LEU CD1 C 13 25.653 0.150 . . . . . A 41 LEU CD1 . 25791 1 521 . 1 1 41 41 LEU CD2 C 13 22.456 0.150 . . . . . A 41 LEU CD2 . 25791 1 522 . 1 1 41 41 LEU N N 15 121.592 0.150 . . . . . A 41 LEU N . 25791 1 523 . 1 1 42 42 GLN H H 1 8.641 0.015 . . . . . A 42 GLN H . 25791 1 524 . 1 1 42 42 GLN HA H 1 4.544 0.015 . . . . . A 42 GLN HA . 25791 1 525 . 1 1 42 42 GLN HB2 H 1 2.505 0.015 . . . . . A 42 GLN HB2 . 25791 1 526 . 1 1 42 42 GLN HB3 H 1 2.219 0.015 . . . . . A 42 GLN HB3 . 25791 1 527 . 1 1 42 42 GLN HG2 H 1 2.967 0.015 . . . . . A 42 GLN HG2 . 25791 1 528 . 1 1 42 42 GLN HG3 H 1 2.544 0.015 . . . . . A 42 GLN HG3 . 25791 1 529 . 1 1 42 42 GLN HE21 H 1 8.290 0.015 . . . . . A 42 GLN HE21 . 25791 1 530 . 1 1 42 42 GLN HE22 H 1 6.488 0.015 . . . . . A 42 GLN HE22 . 25791 1 531 . 1 1 42 42 GLN C C 13 180.176 0.150 . . . . . A 42 GLN C . 25791 1 532 . 1 1 42 42 GLN CA C 13 59.234 0.150 . . . . . A 42 GLN CA . 25791 1 533 . 1 1 42 42 GLN CB C 13 27.920 0.150 . . . . . A 42 GLN CB . 25791 1 534 . 1 1 42 42 GLN CG C 13 33.985 0.150 . . . . . A 42 GLN CG . 25791 1 535 . 1 1 42 42 GLN N N 15 119.054 0.150 . . . . . A 42 GLN N . 25791 1 536 . 1 1 42 42 GLN NE2 N 15 110.851 0.150 . . . . . A 42 GLN NE2 . 25791 1 537 . 1 1 43 43 GLU H H 1 8.111 0.015 . . . . . A 43 GLU H . 25791 1 538 . 1 1 43 43 GLU HA H 1 4.236 0.015 . . . . . A 43 GLU HA . 25791 1 539 . 1 1 43 43 GLU HB2 H 1 2.271 0.015 . . . . . A 43 GLU HB2 . 25791 1 540 . 1 1 43 43 GLU HB3 H 1 2.235 0.015 . . . . . A 43 GLU HB3 . 25791 1 541 . 1 1 43 43 GLU HG2 H 1 2.467 0.015 . . . . . A 43 GLU HG2 . 25791 1 542 . 1 1 43 43 GLU HG3 H 1 2.418 0.015 . . . . . A 43 GLU HG3 . 25791 1 543 . 1 1 43 43 GLU C C 13 179.721 0.150 . . . . . A 43 GLU C . 25791 1 544 . 1 1 43 43 GLU CA C 13 59.667 0.150 . . . . . A 43 GLU CA . 25791 1 545 . 1 1 43 43 GLU CB C 13 29.258 0.150 . . . . . A 43 GLU CB . 25791 1 546 . 1 1 43 43 GLU CG C 13 35.956 0.150 . . . . . A 43 GLU CG . 25791 1 547 . 1 1 43 43 GLU N N 15 121.517 0.150 . . . . . A 43 GLU N . 25791 1 548 . 1 1 44 44 GLN H H 1 8.372 0.015 . . . . . A 44 GLN H . 25791 1 549 . 1 1 44 44 GLN HA H 1 4.116 0.015 . . . . . A 44 GLN HA . 25791 1 550 . 1 1 44 44 GLN HB2 H 1 2.185 0.015 . . . . . A 44 GLN HB2 . 25791 1 551 . 1 1 44 44 GLN HB3 H 1 2.253 0.015 . . . . . A 44 GLN HB3 . 25791 1 552 . 1 1 44 44 GLN HG2 H 1 2.627 0.015 . . . . . A 44 GLN HG2 . 25791 1 553 . 1 1 44 44 GLN HG3 H 1 2.464 0.015 . . . . . A 44 GLN HG3 . 25791 1 554 . 1 1 44 44 GLN HE21 H 1 7.276 0.015 . . . . . A 44 GLN HE21 . 25791 1 555 . 1 1 44 44 GLN HE22 H 1 6.478 0.015 . . . . . A 44 GLN HE22 . 25791 1 556 . 1 1 44 44 GLN C C 13 179.012 0.150 . . . . . A 44 GLN C . 25791 1 557 . 1 1 44 44 GLN CA C 13 59.149 0.150 . . . . . A 44 GLN CA . 25791 1 558 . 1 1 44 44 GLN CB C 13 28.854 0.150 . . . . . A 44 GLN CB . 25791 1 559 . 1 1 44 44 GLN CG C 13 34.684 0.150 . . . . . A 44 GLN CG . 25791 1 560 . 1 1 44 44 GLN N N 15 119.240 0.150 . . . . . A 44 GLN N . 25791 1 561 . 1 1 44 44 GLN NE2 N 15 109.531 0.150 . . . . . A 44 GLN NE2 . 25791 1 562 . 1 1 45 45 HIS H H 1 9.472 0.015 . . . . . A 45 HIS H . 25791 1 563 . 1 1 45 45 HIS HA H 1 4.280 0.015 . . . . . A 45 HIS HA . 25791 1 564 . 1 1 45 45 HIS HB2 H 1 3.859 0.015 . . . . . A 45 HIS HB2 . 25791 1 565 . 1 1 45 45 HIS HB3 H 1 3.593 0.015 . . . . . A 45 HIS HB3 . 25791 1 566 . 1 1 45 45 HIS HD2 H 1 6.646 0.015 . . . . . A 45 HIS HD2 . 25791 1 567 . 1 1 45 45 HIS HE1 H 1 7.284 0.015 . . . . . A 45 HIS HE1 . 25791 1 568 . 1 1 45 45 HIS C C 13 176.395 0.150 . . . . . A 45 HIS C . 25791 1 569 . 1 1 45 45 HIS CA C 13 60.359 0.150 . . . . . A 45 HIS CA . 25791 1 570 . 1 1 45 45 HIS CB C 13 32.325 0.150 . . . . . A 45 HIS CB . 25791 1 571 . 1 1 45 45 HIS CD2 C 13 114.858 0.150 . . . . . A 45 HIS CD2 . 25791 1 572 . 1 1 45 45 HIS CE1 C 13 137.827 0.150 . . . . . A 45 HIS CE1 . 25791 1 573 . 1 1 45 45 HIS N N 15 121.705 0.150 . . . . . A 45 HIS N . 25791 1 574 . 1 1 46 46 TYR H H 1 8.253 0.015 . . . . . A 46 TYR H . 25791 1 575 . 1 1 46 46 TYR HA H 1 3.849 0.015 . . . . . A 46 TYR HA . 25791 1 576 . 1 1 46 46 TYR HB2 H 1 3.200 0.015 . . . . . A 46 TYR HB2 . 25791 1 577 . 1 1 46 46 TYR HB3 H 1 3.325 0.015 . . . . . A 46 TYR HB3 . 25791 1 578 . 1 1 46 46 TYR HD1 H 1 6.979 0.015 . . . . . A 46 TYR HD1 . 25791 1 579 . 1 1 46 46 TYR HD2 H 1 6.979 0.015 . . . . . A 46 TYR HD2 . 25791 1 580 . 1 1 46 46 TYR HE1 H 1 6.796 0.015 . . . . . A 46 TYR HE1 . 25791 1 581 . 1 1 46 46 TYR HE2 H 1 6.796 0.015 . . . . . A 46 TYR HE2 . 25791 1 582 . 1 1 46 46 TYR C C 13 176.664 0.150 . . . . . A 46 TYR C . 25791 1 583 . 1 1 46 46 TYR CA C 13 62.251 0.150 . . . . . A 46 TYR CA . 25791 1 584 . 1 1 46 46 TYR CB C 13 37.672 0.150 . . . . . A 46 TYR CB . 25791 1 585 . 1 1 46 46 TYR CD2 C 13 133.025 0.150 . . . . . A 46 TYR CD2 . 25791 1 586 . 1 1 46 46 TYR CE2 C 13 118.149 0.150 . . . . . A 46 TYR CE2 . 25791 1 587 . 1 1 46 46 TYR N N 15 119.039 0.150 . . . . . A 46 TYR N . 25791 1 588 . 1 1 47 47 GLN H H 1 7.814 0.015 . . . . . A 47 GLN H . 25791 1 589 . 1 1 47 47 GLN HA H 1 3.784 0.015 . . . . . A 47 GLN HA . 25791 1 590 . 1 1 47 47 GLN HB2 H 1 2.213 0.015 . . . . . A 47 GLN HB2 . 25791 1 591 . 1 1 47 47 GLN HB3 H 1 2.213 0.015 . . . . . A 47 GLN HB3 . 25791 1 592 . 1 1 47 47 GLN HG2 H 1 2.683 0.015 . . . . . A 47 GLN HG2 . 25791 1 593 . 1 1 47 47 GLN HG3 H 1 2.611 0.015 . . . . . A 47 GLN HG3 . 25791 1 594 . 1 1 47 47 GLN C C 13 179.048 0.150 . . . . . A 47 GLN C . 25791 1 595 . 1 1 47 47 GLN CA C 13 58.949 0.150 . . . . . A 47 GLN CA . 25791 1 596 . 1 1 47 47 GLN CB C 13 28.181 0.150 . . . . . A 47 GLN CB . 25791 1 597 . 1 1 47 47 GLN CG C 13 33.470 0.150 . . . . . A 47 GLN CG . 25791 1 598 . 1 1 47 47 GLN N N 15 116.407 0.150 . . . . . A 47 GLN N . 25791 1 599 . 1 1 48 48 GLN H H 1 8.645 0.015 . . . . . A 48 GLN H . 25791 1 600 . 1 1 48 48 GLN HA H 1 3.977 0.015 . . . . . A 48 GLN HA . 25791 1 601 . 1 1 48 48 GLN HB2 H 1 2.292 0.015 . . . . . A 48 GLN HB2 . 25791 1 602 . 1 1 48 48 GLN HB3 H 1 2.113 0.015 . . . . . A 48 GLN HB3 . 25791 1 603 . 1 1 48 48 GLN HG2 H 1 2.717 0.015 . . . . . A 48 GLN HG2 . 25791 1 604 . 1 1 48 48 GLN HG3 H 1 2.442 0.015 . . . . . A 48 GLN HG3 . 25791 1 605 . 1 1 48 48 GLN HE21 H 1 7.918 0.015 . . . . . A 48 GLN HE21 . 25791 1 606 . 1 1 48 48 GLN HE22 H 1 6.873 0.015 . . . . . A 48 GLN HE22 . 25791 1 607 . 1 1 48 48 GLN C C 13 177.741 0.150 . . . . . A 48 GLN C . 25791 1 608 . 1 1 48 48 GLN CA C 13 58.314 0.150 . . . . . A 48 GLN CA . 25791 1 609 . 1 1 48 48 GLN CB C 13 28.328 0.150 . . . . . A 48 GLN CB . 25791 1 610 . 1 1 48 48 GLN CG C 13 33.240 0.150 . . . . . A 48 GLN CG . 25791 1 611 . 1 1 48 48 GLN N N 15 119.803 0.150 . . . . . A 48 GLN N . 25791 1 612 . 1 1 48 48 GLN NE2 N 15 112.462 0.150 . . . . . A 48 GLN NE2 . 25791 1 613 . 1 1 49 49 TYR H H 1 9.105 0.015 . . . . . A 49 TYR H . 25791 1 614 . 1 1 49 49 TYR HA H 1 3.640 0.015 . . . . . A 49 TYR HA . 25791 1 615 . 1 1 49 49 TYR HB2 H 1 2.888 0.015 . . . . . A 49 TYR HB2 . 25791 1 616 . 1 1 49 49 TYR HB3 H 1 2.360 0.015 . . . . . A 49 TYR HB3 . 25791 1 617 . 1 1 49 49 TYR HD1 H 1 6.550 0.015 . . . . . A 49 TYR HD1 . 25791 1 618 . 1 1 49 49 TYR HD2 H 1 6.550 0.015 . . . . . A 49 TYR HD2 . 25791 1 619 . 1 1 49 49 TYR HE1 H 1 6.912 0.015 . . . . . A 49 TYR HE1 . 25791 1 620 . 1 1 49 49 TYR HE2 H 1 6.912 0.015 . . . . . A 49 TYR HE2 . 25791 1 621 . 1 1 49 49 TYR C C 13 176.021 0.150 . . . . . A 49 TYR C . 25791 1 622 . 1 1 49 49 TYR CA C 13 62.109 0.150 . . . . . A 49 TYR CA . 25791 1 623 . 1 1 49 49 TYR CB C 13 38.907 0.150 . . . . . A 49 TYR CB . 25791 1 624 . 1 1 49 49 TYR CD1 C 13 133.041 0.150 . . . . . A 49 TYR CD1 . 25791 1 625 . 1 1 49 49 TYR CE1 C 13 117.798 0.150 . . . . . A 49 TYR CE1 . 25791 1 626 . 1 1 49 49 TYR N N 15 121.342 0.150 . . . . . A 49 TYR N . 25791 1 627 . 1 1 50 50 MET H H 1 8.060 0.015 . . . . . A 50 MET H . 25791 1 628 . 1 1 50 50 MET HA H 1 4.040 0.015 . . . . . A 50 MET HA . 25791 1 629 . 1 1 50 50 MET HB2 H 1 1.859 0.015 . . . . . A 50 MET HB2 . 25791 1 630 . 1 1 50 50 MET HB3 H 1 1.744 0.015 . . . . . A 50 MET HB3 . 25791 1 631 . 1 1 50 50 MET HG2 H 1 2.111 0.015 . . . . . A 50 MET HG2 . 25791 1 632 . 1 1 50 50 MET HG3 H 1 2.054 0.015 . . . . . A 50 MET HG3 . 25791 1 633 . 1 1 50 50 MET HE1 H 1 2.027 0.015 . . . . . A 50 MET HE1 . 25791 1 634 . 1 1 50 50 MET HE2 H 1 2.027 0.015 . . . . . A 50 MET HE2 . 25791 1 635 . 1 1 50 50 MET HE3 H 1 2.027 0.015 . . . . . A 50 MET HE3 . 25791 1 636 . 1 1 50 50 MET C C 13 179.841 0.150 . . . . . A 50 MET C . 25791 1 637 . 1 1 50 50 MET CA C 13 56.623 0.150 . . . . . A 50 MET CA . 25791 1 638 . 1 1 50 50 MET CB C 13 30.099 0.150 . . . . . A 50 MET CB . 25791 1 639 . 1 1 50 50 MET CG C 13 32.257 0.150 . . . . . A 50 MET CG . 25791 1 640 . 1 1 50 50 MET CE C 13 16.634 0.150 . . . . . A 50 MET CE . 25791 1 641 . 1 1 50 50 MET N N 15 115.522 0.150 . . . . . A 50 MET N . 25791 1 642 . 1 1 51 51 GLN H H 1 7.830 0.015 . . . . . A 51 GLN H . 25791 1 643 . 1 1 51 51 GLN HA H 1 4.065 0.015 . . . . . A 51 GLN HA . 25791 1 644 . 1 1 51 51 GLN HB2 H 1 2.148 0.015 . . . . . A 51 GLN HB2 . 25791 1 645 . 1 1 51 51 GLN HB3 H 1 2.148 0.015 . . . . . A 51 GLN HB3 . 25791 1 646 . 1 1 51 51 GLN HG2 H 1 2.390 0.015 . . . . . A 51 GLN HG2 . 25791 1 647 . 1 1 51 51 GLN HG3 H 1 2.140 0.015 . . . . . A 51 GLN HG3 . 25791 1 648 . 1 1 51 51 GLN C C 13 178.707 0.150 . . . . . A 51 GLN C . 25791 1 649 . 1 1 51 51 GLN CA C 13 58.941 0.150 . . . . . A 51 GLN CA . 25791 1 650 . 1 1 51 51 GLN CB C 13 28.489 0.150 . . . . . A 51 GLN CB . 25791 1 651 . 1 1 51 51 GLN CG C 13 33.834 0.150 . . . . . A 51 GLN CG . 25791 1 652 . 1 1 51 51 GLN N N 15 118.942 0.150 . . . . . A 51 GLN N . 25791 1 653 . 1 1 52 52 GLN H H 1 8.187 0.015 . . . . . A 52 GLN H . 25791 1 654 . 1 1 52 52 GLN HA H 1 4.057 0.015 . . . . . A 52 GLN HA . 25791 1 655 . 1 1 52 52 GLN HB2 H 1 1.965 0.015 . . . . . A 52 GLN HB2 . 25791 1 656 . 1 1 52 52 GLN HB3 H 1 2.034 0.015 . . . . . A 52 GLN HB3 . 25791 1 657 . 1 1 52 52 GLN HG2 H 1 2.464 0.015 . . . . . A 52 GLN HG2 . 25791 1 658 . 1 1 52 52 GLN HG3 H 1 2.464 0.015 . . . . . A 52 GLN HG3 . 25791 1 659 . 1 1 52 52 GLN HE21 H 1 7.548 0.015 . . . . . A 52 GLN HE21 . 25791 1 660 . 1 1 52 52 GLN HE22 H 1 6.334 0.015 . . . . . A 52 GLN HE22 . 25791 1 661 . 1 1 52 52 GLN C C 13 178.738 0.150 . . . . . A 52 GLN C . 25791 1 662 . 1 1 52 52 GLN CA C 13 58.749 0.150 . . . . . A 52 GLN CA . 25791 1 663 . 1 1 52 52 GLN CB C 13 28.403 0.150 . . . . . A 52 GLN CB . 25791 1 664 . 1 1 52 52 GLN CG C 13 34.487 0.150 . . . . . A 52 GLN CG . 25791 1 665 . 1 1 52 52 GLN N N 15 119.210 0.150 . . . . . A 52 GLN N . 25791 1 666 . 1 1 52 52 GLN NE2 N 15 110.017 0.150 . . . . . A 52 GLN NE2 . 25791 1 667 . 1 1 53 53 LEU H H 1 8.441 0.015 . . . . . A 53 LEU H . 25791 1 668 . 1 1 53 53 LEU HA H 1 3.841 0.015 . . . . . A 53 LEU HA . 25791 1 669 . 1 1 53 53 LEU HB2 H 1 1.168 0.015 . . . . . A 53 LEU HB2 . 25791 1 670 . 1 1 53 53 LEU HB3 H 1 1.412 0.015 . . . . . A 53 LEU HB3 . 25791 1 671 . 1 1 53 53 LEU HG H 1 1.300 0.015 . . . . . A 53 LEU HG . 25791 1 672 . 1 1 53 53 LEU HD11 H 1 0.761 0.015 . . . . . A 53 LEU HD11 . 25791 1 673 . 1 1 53 53 LEU HD12 H 1 0.761 0.015 . . . . . A 53 LEU HD12 . 25791 1 674 . 1 1 53 53 LEU HD13 H 1 0.761 0.015 . . . . . A 53 LEU HD13 . 25791 1 675 . 1 1 53 53 LEU HD21 H 1 0.761 0.015 . . . . . A 53 LEU HD21 . 25791 1 676 . 1 1 53 53 LEU HD22 H 1 0.761 0.015 . . . . . A 53 LEU HD22 . 25791 1 677 . 1 1 53 53 LEU HD23 H 1 0.761 0.015 . . . . . A 53 LEU HD23 . 25791 1 678 . 1 1 53 53 LEU C C 13 179.191 0.150 . . . . . A 53 LEU C . 25791 1 679 . 1 1 53 53 LEU CA C 13 57.745 0.150 . . . . . A 53 LEU CA . 25791 1 680 . 1 1 53 53 LEU CB C 13 41.866 0.150 . . . . . A 53 LEU CB . 25791 1 681 . 1 1 53 53 LEU CG C 13 26.456 0.150 . . . . . A 53 LEU CG . 25791 1 682 . 1 1 53 53 LEU CD1 C 13 24.215 0.150 . . . . . A 53 LEU CD1 . 25791 1 683 . 1 1 53 53 LEU N N 15 121.233 0.150 . . . . . A 53 LEU N . 25791 1 684 . 1 1 54 54 TYR H H 1 7.819 0.015 . . . . . A 54 TYR H . 25791 1 685 . 1 1 54 54 TYR HA H 1 4.318 0.015 . . . . . A 54 TYR HA . 25791 1 686 . 1 1 54 54 TYR HB2 H 1 3.145 0.015 . . . . . A 54 TYR HB2 . 25791 1 687 . 1 1 54 54 TYR HB3 H 1 3.145 0.015 . . . . . A 54 TYR HB3 . 25791 1 688 . 1 1 54 54 TYR HD1 H 1 7.117 0.015 . . . . . A 54 TYR HD1 . 25791 1 689 . 1 1 54 54 TYR HD2 H 1 7.117 0.015 . . . . . A 54 TYR HD2 . 25791 1 690 . 1 1 54 54 TYR HE1 H 1 6.779 0.015 . . . . . A 54 TYR HE1 . 25791 1 691 . 1 1 54 54 TYR HE2 H 1 6.779 0.015 . . . . . A 54 TYR HE2 . 25791 1 692 . 1 1 54 54 TYR C C 13 177.535 0.150 . . . . . A 54 TYR C . 25791 1 693 . 1 1 54 54 TYR CA C 13 60.477 0.150 . . . . . A 54 TYR CA . 25791 1 694 . 1 1 54 54 TYR CB C 13 37.786 0.150 . . . . . A 54 TYR CB . 25791 1 695 . 1 1 54 54 TYR CD1 C 13 132.998 0.150 . . . . . A 54 TYR CD1 . 25791 1 696 . 1 1 54 54 TYR CE1 C 13 118.133 0.150 . . . . . A 54 TYR CE1 . 25791 1 697 . 1 1 54 54 TYR N N 15 118.505 0.150 . . . . . A 54 TYR N . 25791 1 698 . 1 1 55 55 GLN H H 1 7.735 0.015 . . . . . A 55 GLN H . 25791 1 699 . 1 1 55 55 GLN HA H 1 3.899 0.015 . . . . . A 55 GLN HA . 25791 1 700 . 1 1 55 55 GLN HB2 H 1 2.198 0.015 . . . . . A 55 GLN HB2 . 25791 1 701 . 1 1 55 55 GLN HB3 H 1 2.198 0.015 . . . . . A 55 GLN HB3 . 25791 1 702 . 1 1 55 55 GLN HG2 H 1 2.530 0.015 . . . . . A 55 GLN HG2 . 25791 1 703 . 1 1 55 55 GLN HG3 H 1 2.552 0.015 . . . . . A 55 GLN HG3 . 25791 1 704 . 1 1 55 55 GLN C C 13 179.041 0.150 . . . . . A 55 GLN C . 25791 1 705 . 1 1 55 55 GLN CA C 13 58.709 0.150 . . . . . A 55 GLN CA . 25791 1 706 . 1 1 55 55 GLN CB C 13 28.215 0.150 . . . . . A 55 GLN CB . 25791 1 707 . 1 1 55 55 GLN CG C 13 33.936 0.150 . . . . . A 55 GLN CG . 25791 1 708 . 1 1 55 55 GLN N N 15 117.299 0.150 . . . . . A 55 GLN N . 25791 1 709 . 1 1 56 56 VAL H H 1 8.014 0.015 . . . . . A 56 VAL H . 25791 1 710 . 1 1 56 56 VAL HA H 1 3.792 0.015 . . . . . A 56 VAL HA . 25791 1 711 . 1 1 56 56 VAL HB H 1 2.201 0.015 . . . . . A 56 VAL HB . 25791 1 712 . 1 1 56 56 VAL HG11 H 1 0.938 0.015 . . . . . A 56 VAL HG11 . 25791 1 713 . 1 1 56 56 VAL HG12 H 1 0.938 0.015 . . . . . A 56 VAL HG12 . 25791 1 714 . 1 1 56 56 VAL HG13 H 1 0.938 0.015 . . . . . A 56 VAL HG13 . 25791 1 715 . 1 1 56 56 VAL HG21 H 1 1.054 0.015 . . . . . A 56 VAL HG21 . 25791 1 716 . 1 1 56 56 VAL HG22 H 1 1.054 0.015 . . . . . A 56 VAL HG22 . 25791 1 717 . 1 1 56 56 VAL HG23 H 1 1.054 0.015 . . . . . A 56 VAL HG23 . 25791 1 718 . 1 1 56 56 VAL C C 13 178.262 0.150 . . . . . A 56 VAL C . 25791 1 719 . 1 1 56 56 VAL CA C 13 65.942 0.150 . . . . . A 56 VAL CA . 25791 1 720 . 1 1 56 56 VAL CB C 13 31.879 0.150 . . . . . A 56 VAL CB . 25791 1 721 . 1 1 56 56 VAL CG1 C 13 21.060 0.150 . . . . . A 56 VAL CG1 . 25791 1 722 . 1 1 56 56 VAL CG2 C 13 22.482 0.150 . . . . . A 56 VAL CG2 . 25791 1 723 . 1 1 56 56 VAL N N 15 120.879 0.150 . . . . . A 56 VAL N . 25791 1 724 . 1 1 57 57 GLN H H 1 8.103 0.015 . . . . . A 57 GLN H . 25791 1 725 . 1 1 57 57 GLN HA H 1 4.060 0.015 . . . . . A 57 GLN HA . 25791 1 726 . 1 1 57 57 GLN HB2 H 1 2.045 0.015 . . . . . A 57 GLN HB2 . 25791 1 727 . 1 1 57 57 GLN HB3 H 1 2.157 0.015 . . . . . A 57 GLN HB3 . 25791 1 728 . 1 1 57 57 GLN HG2 H 1 2.521 0.015 . . . . . A 57 GLN HG2 . 25791 1 729 . 1 1 57 57 GLN HG3 H 1 2.329 0.015 . . . . . A 57 GLN HG3 . 25791 1 730 . 1 1 57 57 GLN HE21 H 1 7.400 0.015 . . . . . A 57 GLN HE21 . 25791 1 731 . 1 1 57 57 GLN HE22 H 1 6.793 0.015 . . . . . A 57 GLN HE22 . 25791 1 732 . 1 1 57 57 GLN C C 13 178.772 0.150 . . . . . A 57 GLN C . 25791 1 733 . 1 1 57 57 GLN CA C 13 58.616 0.150 . . . . . A 57 GLN CA . 25791 1 734 . 1 1 57 57 GLN CB C 13 27.985 0.150 . . . . . A 57 GLN CB . 25791 1 735 . 1 1 57 57 GLN N N 15 120.513 0.150 . . . . . A 57 GLN N . 25791 1 736 . 1 1 57 57 GLN NE2 N 15 110.743 0.150 . . . . . A 57 GLN NE2 . 25791 1 737 . 1 1 58 58 LEU H H 1 8.176 0.015 . . . . . A 58 LEU H . 25791 1 738 . 1 1 58 58 LEU HA H 1 4.005 0.015 . . . . . A 58 LEU HA . 25791 1 739 . 1 1 58 58 LEU HB2 H 1 1.495 0.015 . . . . . A 58 LEU HB2 . 25791 1 740 . 1 1 58 58 LEU HB3 H 1 1.495 0.015 . . . . . A 58 LEU HB3 . 25791 1 741 . 1 1 58 58 LEU HG H 1 1.423 0.015 . . . . . A 58 LEU HG . 25791 1 742 . 1 1 58 58 LEU HD11 H 1 0.771 0.015 . . . . . A 58 LEU HD11 . 25791 1 743 . 1 1 58 58 LEU HD12 H 1 0.771 0.015 . . . . . A 58 LEU HD12 . 25791 1 744 . 1 1 58 58 LEU HD13 H 1 0.771 0.015 . . . . . A 58 LEU HD13 . 25791 1 745 . 1 1 58 58 LEU HD21 H 1 0.783 0.015 . . . . . A 58 LEU HD21 . 25791 1 746 . 1 1 58 58 LEU HD22 H 1 0.783 0.015 . . . . . A 58 LEU HD22 . 25791 1 747 . 1 1 58 58 LEU HD23 H 1 0.783 0.015 . . . . . A 58 LEU HD23 . 25791 1 748 . 1 1 58 58 LEU C C 13 179.134 0.150 . . . . . A 58 LEU C . 25791 1 749 . 1 1 58 58 LEU CA C 13 57.506 0.150 . . . . . A 58 LEU CA . 25791 1 750 . 1 1 58 58 LEU CB C 13 41.803 0.150 . . . . . A 58 LEU CB . 25791 1 751 . 1 1 58 58 LEU CG C 13 26.639 0.150 . . . . . A 58 LEU CG . 25791 1 752 . 1 1 58 58 LEU CD1 C 13 24.267 0.150 . . . . . A 58 LEU CD1 . 25791 1 753 . 1 1 58 58 LEU CD2 C 13 23.770 0.150 . . . . . A 58 LEU CD2 . 25791 1 754 . 1 1 58 58 LEU N N 15 121.244 0.150 . . . . . A 58 LEU N . 25791 1 755 . 1 1 59 59 ALA H H 1 7.833 0.015 . . . . . A 59 ALA H . 25791 1 756 . 1 1 59 59 ALA HA H 1 4.165 0.015 . . . . . A 59 ALA HA . 25791 1 757 . 1 1 59 59 ALA HB1 H 1 1.495 0.015 . . . . . A 59 ALA HB1 . 25791 1 758 . 1 1 59 59 ALA HB2 H 1 1.495 0.015 . . . . . A 59 ALA HB2 . 25791 1 759 . 1 1 59 59 ALA HB3 H 1 1.495 0.015 . . . . . A 59 ALA HB3 . 25791 1 760 . 1 1 59 59 ALA C C 13 180.497 0.150 . . . . . A 59 ALA C . 25791 1 761 . 1 1 59 59 ALA CA C 13 54.582 0.150 . . . . . A 59 ALA CA . 25791 1 762 . 1 1 59 59 ALA CB C 13 18.053 0.150 . . . . . A 59 ALA CB . 25791 1 763 . 1 1 59 59 ALA N N 15 121.608 0.150 . . . . . A 59 ALA N . 25791 1 764 . 1 1 60 60 GLN H H 1 8.081 0.015 . . . . . A 60 GLN H . 25791 1 765 . 1 1 60 60 GLN HA H 1 4.148 0.015 . . . . . A 60 GLN HA . 25791 1 766 . 1 1 60 60 GLN HB2 H 1 2.143 0.015 . . . . . A 60 GLN HB2 . 25791 1 767 . 1 1 60 60 GLN HB3 H 1 2.190 0.015 . . . . . A 60 GLN HB3 . 25791 1 768 . 1 1 60 60 GLN HG2 H 1 2.565 0.015 . . . . . A 60 GLN HG2 . 25791 1 769 . 1 1 60 60 GLN HG3 H 1 2.417 0.015 . . . . . A 60 GLN HG3 . 25791 1 770 . 1 1 60 60 GLN C C 13 178.334 0.150 . . . . . A 60 GLN C . 25791 1 771 . 1 1 60 60 GLN CA C 13 57.977 0.150 . . . . . A 60 GLN CA . 25791 1 772 . 1 1 60 60 GLN CB C 13 28.435 0.150 . . . . . A 60 GLN CB . 25791 1 773 . 1 1 60 60 GLN N N 15 118.335 0.150 . . . . . A 60 GLN N . 25791 1 774 . 1 1 61 61 GLN H H 1 8.111 0.015 . . . . . A 61 GLN H . 25791 1 775 . 1 1 61 61 GLN HA H 1 4.162 0.015 . . . . . A 61 GLN HA . 25791 1 776 . 1 1 61 61 GLN HB2 H 1 2.175 0.015 . . . . . A 61 GLN HB2 . 25791 1 777 . 1 1 61 61 GLN HB3 H 1 2.175 0.015 . . . . . A 61 GLN HB3 . 25791 1 778 . 1 1 61 61 GLN HG2 H 1 2.515 0.015 . . . . . A 61 GLN HG2 . 25791 1 779 . 1 1 61 61 GLN HG3 H 1 2.395 0.015 . . . . . A 61 GLN HG3 . 25791 1 780 . 1 1 61 61 GLN C C 13 178.002 0.150 . . . . . A 61 GLN C . 25791 1 781 . 1 1 61 61 GLN CA C 13 57.905 0.150 . . . . . A 61 GLN CA . 25791 1 782 . 1 1 61 61 GLN CB C 13 28.579 0.150 . . . . . A 61 GLN CB . 25791 1 783 . 1 1 61 61 GLN N N 15 120.206 0.150 . . . . . A 61 GLN N . 25791 1 784 . 1 1 62 62 GLN H H 1 8.203 0.015 . . . . . A 62 GLN H . 25791 1 785 . 1 1 62 62 GLN HA H 1 4.129 0.015 . . . . . A 62 GLN HA . 25791 1 786 . 1 1 62 62 GLN HB2 H 1 2.111 0.015 . . . . . A 62 GLN HB2 . 25791 1 787 . 1 1 62 62 GLN HB3 H 1 2.111 0.015 . . . . . A 62 GLN HB3 . 25791 1 788 . 1 1 62 62 GLN HG2 H 1 2.468 0.015 . . . . . A 62 GLN HG2 . 25791 1 789 . 1 1 62 62 GLN HG3 H 1 2.417 0.015 . . . . . A 62 GLN HG3 . 25791 1 790 . 1 1 62 62 GLN HE21 H 1 7.455 0.015 . . . . . A 62 GLN HE21 . 25791 1 791 . 1 1 62 62 GLN HE22 H 1 6.840 0.015 . . . . . A 62 GLN HE22 . 25791 1 792 . 1 1 62 62 GLN C C 13 177.624 0.150 . . . . . A 62 GLN C . 25791 1 793 . 1 1 62 62 GLN CA C 13 57.636 0.150 . . . . . A 62 GLN CA . 25791 1 794 . 1 1 62 62 GLN CB C 13 28.636 0.150 . . . . . A 62 GLN CB . 25791 1 795 . 1 1 62 62 GLN N N 15 118.980 0.150 . . . . . A 62 GLN N . 25791 1 796 . 1 1 62 62 GLN NE2 N 15 111.893 0.150 . . . . . A 62 GLN NE2 . 25791 1 797 . 1 1 63 63 ALA H H 1 8.004 0.015 . . . . . A 63 ALA H . 25791 1 798 . 1 1 63 63 ALA HA H 1 4.206 0.015 . . . . . A 63 ALA HA . 25791 1 799 . 1 1 63 63 ALA HB1 H 1 1.450 0.015 . . . . . A 63 ALA HB1 . 25791 1 800 . 1 1 63 63 ALA HB2 H 1 1.450 0.015 . . . . . A 63 ALA HB2 . 25791 1 801 . 1 1 63 63 ALA HB3 H 1 1.450 0.015 . . . . . A 63 ALA HB3 . 25791 1 802 . 1 1 63 63 ALA C C 13 178.922 0.150 . . . . . A 63 ALA C . 25791 1 803 . 1 1 63 63 ALA CA C 13 53.896 0.150 . . . . . A 63 ALA CA . 25791 1 804 . 1 1 63 63 ALA CB C 13 18.459 0.150 . . . . . A 63 ALA CB . 25791 1 805 . 1 1 63 63 ALA N N 15 122.712 0.150 . . . . . A 63 ALA N . 25791 1 806 . 1 1 64 64 ALA H H 1 7.837 0.015 . . . . . A 64 ALA H . 25791 1 807 . 1 1 64 64 ALA HA H 1 4.232 0.015 . . . . . A 64 ALA HA . 25791 1 808 . 1 1 64 64 ALA HB1 H 1 1.455 0.015 . . . . . A 64 ALA HB1 . 25791 1 809 . 1 1 64 64 ALA HB2 H 1 1.455 0.015 . . . . . A 64 ALA HB2 . 25791 1 810 . 1 1 64 64 ALA HB3 H 1 1.455 0.015 . . . . . A 64 ALA HB3 . 25791 1 811 . 1 1 64 64 ALA C C 13 178.732 0.150 . . . . . A 64 ALA C . 25791 1 812 . 1 1 64 64 ALA CA C 13 53.516 0.150 . . . . . A 64 ALA CA . 25791 1 813 . 1 1 64 64 ALA CB C 13 18.630 0.150 . . . . . A 64 ALA CB . 25791 1 814 . 1 1 64 64 ALA N N 15 120.813 0.150 . . . . . A 64 ALA N . 25791 1 815 . 1 1 65 65 LEU H H 1 7.765 0.015 . . . . . A 65 LEU H . 25791 1 816 . 1 1 65 65 LEU HA H 1 4.257 0.015 . . . . . A 65 LEU HA . 25791 1 817 . 1 1 65 65 LEU HB2 H 1 1.613 0.015 . . . . . A 65 LEU HB2 . 25791 1 818 . 1 1 65 65 LEU HB3 H 1 1.743 0.015 . . . . . A 65 LEU HB3 . 25791 1 819 . 1 1 65 65 LEU HG H 1 1.739 0.015 . . . . . A 65 LEU HG . 25791 1 820 . 1 1 65 65 LEU HD11 H 1 0.926 0.015 . . . . . A 65 LEU HD11 . 25791 1 821 . 1 1 65 65 LEU HD12 H 1 0.926 0.015 . . . . . A 65 LEU HD12 . 25791 1 822 . 1 1 65 65 LEU HD13 H 1 0.926 0.015 . . . . . A 65 LEU HD13 . 25791 1 823 . 1 1 65 65 LEU HD21 H 1 0.884 0.015 . . . . . A 65 LEU HD21 . 25791 1 824 . 1 1 65 65 LEU HD22 H 1 0.884 0.015 . . . . . A 65 LEU HD22 . 25791 1 825 . 1 1 65 65 LEU HD23 H 1 0.884 0.015 . . . . . A 65 LEU HD23 . 25791 1 826 . 1 1 65 65 LEU C C 13 178.038 0.150 . . . . . A 65 LEU C . 25791 1 827 . 1 1 65 65 LEU CA C 13 55.822 0.150 . . . . . A 65 LEU CA . 25791 1 828 . 1 1 65 65 LEU CB C 13 42.264 0.150 . . . . . A 65 LEU CB . 25791 1 829 . 1 1 65 65 LEU CG C 13 26.824 0.150 . . . . . A 65 LEU CG . 25791 1 830 . 1 1 65 65 LEU CD1 C 13 24.846 0.150 . . . . . A 65 LEU CD1 . 25791 1 831 . 1 1 65 65 LEU CD2 C 13 23.303 0.150 . . . . . A 65 LEU CD2 . 25791 1 832 . 1 1 65 65 LEU N N 15 119.196 0.150 . . . . . A 65 LEU N . 25791 1 833 . 1 1 66 66 GLN H H 1 7.967 0.015 . . . . . A 66 GLN H . 25791 1 834 . 1 1 66 66 GLN HA H 1 4.275 0.015 . . . . . A 66 GLN HA . 25791 1 835 . 1 1 66 66 GLN HB2 H 1 2.036 0.015 . . . . . A 66 GLN HB2 . 25791 1 836 . 1 1 66 66 GLN HB3 H 1 2.140 0.015 . . . . . A 66 GLN HB3 . 25791 1 837 . 1 1 66 66 GLN HG2 H 1 2.417 0.015 . . . . . A 66 GLN HG2 . 25791 1 838 . 1 1 66 66 GLN HG3 H 1 2.417 0.015 . . . . . A 66 GLN HG3 . 25791 1 839 . 1 1 66 66 GLN C C 13 176.120 0.150 . . . . . A 66 GLN C . 25791 1 840 . 1 1 66 66 GLN CA C 13 56.067 0.150 . . . . . A 66 GLN CA . 25791 1 841 . 1 1 66 66 GLN CB C 13 29.132 0.150 . . . . . A 66 GLN CB . 25791 1 842 . 1 1 66 66 GLN N N 15 119.365 0.150 . . . . . A 66 GLN N . 25791 1 843 . 1 1 67 67 LYS H H 1 8.053 0.015 . . . . . A 67 LYS H . 25791 1 844 . 1 1 67 67 LYS HA H 1 4.309 0.015 . . . . . A 67 LYS HA . 25791 1 845 . 1 1 67 67 LYS HB2 H 1 1.792 0.015 . . . . . A 67 LYS HB2 . 25791 1 846 . 1 1 67 67 LYS HB3 H 1 1.868 0.015 . . . . . A 67 LYS HB3 . 25791 1 847 . 1 1 67 67 LYS HG2 H 1 1.455 0.015 . . . . . A 67 LYS HG2 . 25791 1 848 . 1 1 67 67 LYS HG3 H 1 1.455 0.015 . . . . . A 67 LYS HG3 . 25791 1 849 . 1 1 67 67 LYS HD2 H 1 1.694 0.015 . . . . . A 67 LYS HD2 . 25791 1 850 . 1 1 67 67 LYS HD3 H 1 1.694 0.015 . . . . . A 67 LYS HD3 . 25791 1 851 . 1 1 67 67 LYS HE2 H 1 3.004 0.015 . . . . . A 67 LYS HE2 . 25791 1 852 . 1 1 67 67 LYS HE3 H 1 3.004 0.015 . . . . . A 67 LYS HE3 . 25791 1 853 . 1 1 67 67 LYS C C 13 176.437 0.150 . . . . . A 67 LYS C . 25791 1 854 . 1 1 67 67 LYS CA C 13 56.389 0.150 . . . . . A 67 LYS CA . 25791 1 855 . 1 1 67 67 LYS CB C 13 33.041 0.150 . . . . . A 67 LYS CB . 25791 1 856 . 1 1 67 67 LYS CG C 13 24.761 0.150 . . . . . A 67 LYS CG . 25791 1 857 . 1 1 67 67 LYS CD C 13 29.064 0.150 . . . . . A 67 LYS CD . 25791 1 858 . 1 1 67 67 LYS CE C 13 42.151 0.150 . . . . . A 67 LYS CE . 25791 1 859 . 1 1 67 67 LYS N N 15 121.521 0.150 . . . . . A 67 LYS N . 25791 1 860 . 1 1 68 68 GLN H H 1 8.314 0.015 . . . . . A 68 GLN H . 25791 1 861 . 1 1 68 68 GLN HA H 1 4.339 0.015 . . . . . A 68 GLN HA . 25791 1 862 . 1 1 68 68 GLN HB2 H 1 2.012 0.015 . . . . . A 68 GLN HB2 . 25791 1 863 . 1 1 68 68 GLN HB3 H 1 2.153 0.015 . . . . . A 68 GLN HB3 . 25791 1 864 . 1 1 68 68 GLN HG2 H 1 2.401 0.015 . . . . . A 68 GLN HG2 . 25791 1 865 . 1 1 68 68 GLN HG3 H 1 2.401 0.015 . . . . . A 68 GLN HG3 . 25791 1 866 . 1 1 68 68 GLN C C 13 175.120 0.150 . . . . . A 68 GLN C . 25791 1 867 . 1 1 68 68 GLN CA C 13 56.000 0.150 . . . . . A 68 GLN CA . 25791 1 868 . 1 1 68 68 GLN CB C 13 29.498 0.150 . . . . . A 68 GLN CB . 25791 1 869 . 1 1 68 68 GLN N N 15 121.970 0.150 . . . . . A 68 GLN N . 25791 1 870 . 1 1 69 69 GLN H H 1 8.016 0.015 . . . . . A 69 GLN H . 25791 1 871 . 1 1 69 69 GLN HA H 1 4.157 0.015 . . . . . A 69 GLN HA . 25791 1 872 . 1 1 69 69 GLN HB2 H 1 2.123 0.015 . . . . . A 69 GLN HB2 . 25791 1 873 . 1 1 69 69 GLN HB3 H 1 1.941 0.015 . . . . . A 69 GLN HB3 . 25791 1 874 . 1 1 69 69 GLN HG2 H 1 2.314 0.015 . . . . . A 69 GLN HG2 . 25791 1 875 . 1 1 69 69 GLN HG3 H 1 2.314 0.015 . . . . . A 69 GLN HG3 . 25791 1 876 . 1 1 69 69 GLN C C 13 180.477 0.150 . . . . . A 69 GLN C . 25791 1 877 . 1 1 69 69 GLN CA C 13 57.444 0.150 . . . . . A 69 GLN CA . 25791 1 878 . 1 1 69 69 GLN CB C 13 30.413 0.150 . . . . . A 69 GLN CB . 25791 1 879 . 1 1 69 69 GLN CG C 13 34.309 0.150 . . . . . A 69 GLN CG . 25791 1 880 . 1 1 69 69 GLN N N 15 126.854 0.150 . . . . . A 69 GLN N . 25791 1 881 . 2 2 2 2 ALA HA H 1 4.350 0.015 . . . . . B 102 ALA HA . 25791 1 882 . 2 2 2 2 ALA HB1 H 1 1.388 0.015 . . . . . B 102 ALA QB . 25791 1 883 . 2 2 2 2 ALA HB2 H 1 1.388 0.015 . . . . . B 102 ALA QB . 25791 1 884 . 2 2 2 2 ALA HB3 H 1 1.388 0.015 . . . . . B 102 ALA QB . 25791 1 885 . 2 2 2 2 ALA C C 13 177.675 0.150 . . . . . B 102 ALA C . 25791 1 886 . 2 2 2 2 ALA CA C 13 52.458 0.150 . . . . . B 102 ALA CA . 25791 1 887 . 2 2 2 2 ALA CB C 13 19.471 0.150 . . . . . B 102 ALA CB . 25791 1 888 . 2 2 3 3 MET H H 1 8.481 0.015 . . . . . B 103 MET H . 25791 1 889 . 2 2 3 3 MET HA H 1 4.485 0.015 . . . . . B 103 MET HA . 25791 1 890 . 2 2 3 3 MET HB2 H 1 2.054 0.015 . . . . . B 103 MET QB . 25791 1 891 . 2 2 3 3 MET HB3 H 1 2.054 0.015 . . . . . B 103 MET QB . 25791 1 892 . 2 2 3 3 MET HG2 H 1 2.562 0.015 . . . . . B 103 MET QG . 25791 1 893 . 2 2 3 3 MET HG3 H 1 2.562 0.015 . . . . . B 103 MET QG . 25791 1 894 . 2 2 3 3 MET HE1 H 1 2.108 0.015 . . . . . B 103 MET QE . 25791 1 895 . 2 2 3 3 MET HE2 H 1 2.108 0.015 . . . . . B 103 MET QE . 25791 1 896 . 2 2 3 3 MET HE3 H 1 2.108 0.015 . . . . . B 103 MET QE . 25791 1 897 . 2 2 3 3 MET C C 13 176.190 0.150 . . . . . B 103 MET C . 25791 1 898 . 2 2 3 3 MET CA C 13 55.644 0.150 . . . . . B 103 MET CA . 25791 1 899 . 2 2 3 3 MET CB C 13 32.889 0.150 . . . . . B 103 MET CB . 25791 1 900 . 2 2 3 3 MET CG C 13 31.981 0.150 . . . . . B 103 MET CG . 25791 1 901 . 2 2 3 3 MET CE C 13 16.992 0.150 . . . . . B 103 MET CE . 25791 1 902 . 2 2 3 3 MET N N 15 120.400 0.150 . . . . . B 103 MET N . 25791 1 903 . 2 2 4 4 VAL H H 1 8.193 0.015 . . . . . B 104 VAL H . 25791 1 904 . 2 2 4 4 VAL HA H 1 4.098 0.015 . . . . . B 104 VAL HA . 25791 1 905 . 2 2 4 4 VAL HB H 1 2.050 0.015 . . . . . B 104 VAL HB . 25791 1 906 . 2 2 4 4 VAL HG11 H 1 0.930 0.015 . . . . . B 104 VAL QQG . 25791 1 907 . 2 2 4 4 VAL HG12 H 1 0.930 0.015 . . . . . B 104 VAL QQG . 25791 1 908 . 2 2 4 4 VAL HG13 H 1 0.930 0.015 . . . . . B 104 VAL QQG . 25791 1 909 . 2 2 4 4 VAL HG21 H 1 0.930 0.015 . . . . . B 104 VAL QQG . 25791 1 910 . 2 2 4 4 VAL HG22 H 1 0.930 0.015 . . . . . B 104 VAL QQG . 25791 1 911 . 2 2 4 4 VAL HG23 H 1 0.930 0.015 . . . . . B 104 VAL QQG . 25791 1 912 . 2 2 4 4 VAL C C 13 176.023 0.150 . . . . . B 104 VAL C . 25791 1 913 . 2 2 4 4 VAL CA C 13 62.377 0.150 . . . . . B 104 VAL CA . 25791 1 914 . 2 2 4 4 VAL CB C 13 32.855 0.150 . . . . . B 104 VAL CB . 25791 1 915 . 2 2 4 4 VAL CG1 C 13 20.853 0.150 . . . . . B 104 VAL CG1 . 25791 1 916 . 2 2 4 4 VAL N N 15 122.150 0.150 . . . . . B 104 VAL N . 25791 1 917 . 2 2 5 5 GLU H H 1 8.495 0.015 . . . . . B 105 GLU H . 25791 1 918 . 2 2 5 5 GLU HA H 1 4.266 0.015 . . . . . B 105 GLU HA . 25791 1 919 . 2 2 5 5 GLU HB2 H 1 2.035 0.015 . . . . . B 105 GLU HB2 . 25791 1 920 . 2 2 5 5 GLU HB3 H 1 1.933 0.015 . . . . . B 105 GLU HB3 . 25791 1 921 . 2 2 5 5 GLU HG2 H 1 2.259 0.015 . . . . . B 105 GLU QG . 25791 1 922 . 2 2 5 5 GLU HG3 H 1 2.259 0.015 . . . . . B 105 GLU QG . 25791 1 923 . 2 2 5 5 GLU C C 13 176.194 0.150 . . . . . B 105 GLU C . 25791 1 924 . 2 2 5 5 GLU CA C 13 56.488 0.150 . . . . . B 105 GLU CA . 25791 1 925 . 2 2 5 5 GLU CB C 13 30.373 0.150 . . . . . B 105 GLU CB . 25791 1 926 . 2 2 5 5 GLU CG C 13 36.328 0.150 . . . . . B 105 GLU CG . 25791 1 927 . 2 2 5 5 GLU N N 15 125.220 0.150 . . . . . B 105 GLU N . 25791 1 928 . 2 2 6 6 ALA H H 1 8.394 0.015 . . . . . B 106 ALA H . 25791 1 929 . 2 2 6 6 ALA HA H 1 4.293 0.015 . . . . . B 106 ALA HA . 25791 1 930 . 2 2 6 6 ALA HB1 H 1 1.390 0.015 . . . . . B 106 ALA QB . 25791 1 931 . 2 2 6 6 ALA HB2 H 1 1.390 0.015 . . . . . B 106 ALA QB . 25791 1 932 . 2 2 6 6 ALA HB3 H 1 1.390 0.015 . . . . . B 106 ALA QB . 25791 1 933 . 2 2 6 6 ALA C C 13 177.899 0.150 . . . . . B 106 ALA C . 25791 1 934 . 2 2 6 6 ALA CA C 13 52.727 0.150 . . . . . B 106 ALA CA . 25791 1 935 . 2 2 6 6 ALA CB C 13 19.107 0.150 . . . . . B 106 ALA CB . 25791 1 936 . 2 2 6 6 ALA N N 15 126.016 0.150 . . . . . B 106 ALA N . 25791 1 937 . 2 2 7 7 ARG H H 1 8.339 0.015 . . . . . B 107 ARG H . 25791 1 938 . 2 2 7 7 ARG HA H 1 4.332 0.015 . . . . . B 107 ARG HA . 25791 1 939 . 2 2 7 7 ARG HB2 H 1 1.792 0.015 . . . . . B 107 ARG HB2 . 25791 1 940 . 2 2 7 7 ARG HB3 H 1 1.864 0.015 . . . . . B 107 ARG HB3 . 25791 1 941 . 2 2 7 7 ARG HG2 H 1 1.646 0.015 . . . . . B 107 ARG QG . 25791 1 942 . 2 2 7 7 ARG HG3 H 1 1.646 0.015 . . . . . B 107 ARG QG . 25791 1 943 . 2 2 7 7 ARG HD2 H 1 3.205 0.015 . . . . . B 107 ARG QD . 25791 1 944 . 2 2 7 7 ARG HD3 H 1 3.205 0.015 . . . . . B 107 ARG QD . 25791 1 945 . 2 2 7 7 ARG C C 13 176.466 0.150 . . . . . B 107 ARG C . 25791 1 946 . 2 2 7 7 ARG CA C 13 56.237 0.150 . . . . . B 107 ARG CA . 25791 1 947 . 2 2 7 7 ARG CB C 13 30.778 0.150 . . . . . B 107 ARG CB . 25791 1 948 . 2 2 7 7 ARG CG C 13 27.011 0.150 . . . . . B 107 ARG CG . 25791 1 949 . 2 2 7 7 ARG CD C 13 43.418 0.150 . . . . . B 107 ARG CD . 25791 1 950 . 2 2 7 7 ARG N N 15 120.173 0.150 . . . . . B 107 ARG N . 25791 1 951 . 2 2 8 8 SER H H 1 8.289 0.015 . . . . . B 108 SER H . 25791 1 952 . 2 2 8 8 SER HA H 1 4.432 0.015 . . . . . B 108 SER HA . 25791 1 953 . 2 2 8 8 SER HB2 H 1 3.876 0.015 . . . . . B 108 SER QB . 25791 1 954 . 2 2 8 8 SER HB3 H 1 3.876 0.015 . . . . . B 108 SER QB . 25791 1 955 . 2 2 8 8 SER C C 13 174.638 0.150 . . . . . B 108 SER C . 25791 1 956 . 2 2 8 8 SER CA C 13 58.432 0.150 . . . . . B 108 SER CA . 25791 1 957 . 2 2 8 8 SER CB C 13 63.752 0.150 . . . . . B 108 SER CB . 25791 1 958 . 2 2 8 8 SER N N 15 116.826 0.150 . . . . . B 108 SER N . 25791 1 959 . 2 2 9 9 LEU H H 1 8.232 0.015 . . . . . B 109 LEU H . 25791 1 960 . 2 2 9 9 LEU HA H 1 4.343 0.015 . . . . . B 109 LEU HA . 25791 1 961 . 2 2 9 9 LEU HB2 H 1 1.627 0.015 . . . . . B 109 LEU QB . 25791 1 962 . 2 2 9 9 LEU HB3 H 1 1.627 0.015 . . . . . B 109 LEU QB . 25791 1 963 . 2 2 9 9 LEU HG H 1 1.636 0.015 . . . . . B 109 LEU HG . 25791 1 964 . 2 2 9 9 LEU HD11 H 1 0.924 0.015 . . . . . B 109 LEU QD1 . 25791 1 965 . 2 2 9 9 LEU HD12 H 1 0.924 0.015 . . . . . B 109 LEU QD1 . 25791 1 966 . 2 2 9 9 LEU HD13 H 1 0.924 0.015 . . . . . B 109 LEU QD1 . 25791 1 967 . 2 2 9 9 LEU HD21 H 1 0.866 0.015 . . . . . B 109 LEU QD2 . 25791 1 968 . 2 2 9 9 LEU HD22 H 1 0.866 0.015 . . . . . B 109 LEU QD2 . 25791 1 969 . 2 2 9 9 LEU HD23 H 1 0.866 0.015 . . . . . B 109 LEU QD2 . 25791 1 970 . 2 2 9 9 LEU C C 13 177.090 0.150 . . . . . B 109 LEU C . 25791 1 971 . 2 2 9 9 LEU CA C 13 55.333 0.150 . . . . . B 109 LEU CA . 25791 1 972 . 2 2 9 9 LEU CB C 13 42.376 0.150 . . . . . B 109 LEU CB . 25791 1 973 . 2 2 9 9 LEU CG C 13 26.948 0.150 . . . . . B 109 LEU CG . 25791 1 974 . 2 2 9 9 LEU CD1 C 13 24.749 0.150 . . . . . B 109 LEU CD1 . 25791 1 975 . 2 2 9 9 LEU CD2 C 13 23.502 0.150 . . . . . B 109 LEU CD2 . 25791 1 976 . 2 2 9 9 LEU N N 15 124.322 0.150 . . . . . B 109 LEU N . 25791 1 977 . 2 2 10 10 ALA H H 1 8.162 0.015 . . . . . B 110 ALA H . 25791 1 978 . 2 2 10 10 ALA HA H 1 4.315 0.015 . . . . . B 110 ALA HA . 25791 1 979 . 2 2 10 10 ALA HB1 H 1 1.370 0.015 . . . . . B 110 ALA QB . 25791 1 980 . 2 2 10 10 ALA HB2 H 1 1.370 0.015 . . . . . B 110 ALA QB . 25791 1 981 . 2 2 10 10 ALA HB3 H 1 1.370 0.015 . . . . . B 110 ALA QB . 25791 1 982 . 2 2 10 10 ALA C C 13 177.767 0.150 . . . . . B 110 ALA C . 25791 1 983 . 2 2 10 10 ALA CA C 13 52.662 0.150 . . . . . B 110 ALA CA . 25791 1 984 . 2 2 10 10 ALA CB C 13 19.099 0.150 . . . . . B 110 ALA CB . 25791 1 985 . 2 2 10 10 ALA N N 15 124.436 0.150 . . . . . B 110 ALA N . 25791 1 986 . 2 2 11 11 VAL H H 1 7.948 0.015 . . . . . B 111 VAL H . 25791 1 987 . 2 2 11 11 VAL HA H 1 4.070 0.015 . . . . . B 111 VAL HA . 25791 1 988 . 2 2 11 11 VAL HB H 1 2.062 0.015 . . . . . B 111 VAL HB . 25791 1 989 . 2 2 11 11 VAL HG11 H 1 0.935 0.015 . . . . . B 111 VAL QQG . 25791 1 990 . 2 2 11 11 VAL HG12 H 1 0.935 0.015 . . . . . B 111 VAL QQG . 25791 1 991 . 2 2 11 11 VAL HG13 H 1 0.935 0.015 . . . . . B 111 VAL QQG . 25791 1 992 . 2 2 11 11 VAL HG21 H 1 0.935 0.015 . . . . . B 111 VAL QQG . 25791 1 993 . 2 2 11 11 VAL HG22 H 1 0.935 0.015 . . . . . B 111 VAL QQG . 25791 1 994 . 2 2 11 11 VAL HG23 H 1 0.935 0.015 . . . . . B 111 VAL QQG . 25791 1 995 . 2 2 11 11 VAL C C 13 175.989 0.150 . . . . . B 111 VAL C . 25791 1 996 . 2 2 11 11 VAL CA C 13 62.262 0.150 . . . . . B 111 VAL CA . 25791 1 997 . 2 2 11 11 VAL CB C 13 32.891 0.150 . . . . . B 111 VAL CB . 25791 1 998 . 2 2 11 11 VAL CG1 C 13 20.883 0.150 . . . . . B 111 VAL CG1 . 25791 1 999 . 2 2 11 11 VAL N N 15 119.035 0.150 . . . . . B 111 VAL N . 25791 1 1000 . 2 2 12 12 ALA H H 1 8.335 0.015 . . . . . B 112 ALA H . 25791 1 1001 . 2 2 12 12 ALA HA H 1 4.333 0.015 . . . . . B 112 ALA HA . 25791 1 1002 . 2 2 12 12 ALA HB1 H 1 1.391 0.015 . . . . . B 112 ALA QB . 25791 1 1003 . 2 2 12 12 ALA HB2 H 1 1.391 0.015 . . . . . B 112 ALA QB . 25791 1 1004 . 2 2 12 12 ALA HB3 H 1 1.391 0.015 . . . . . B 112 ALA QB . 25791 1 1005 . 2 2 12 12 ALA C C 13 177.724 0.150 . . . . . B 112 ALA C . 25791 1 1006 . 2 2 12 12 ALA CA C 13 52.485 0.150 . . . . . B 112 ALA CA . 25791 1 1007 . 2 2 12 12 ALA CB C 13 19.188 0.150 . . . . . B 112 ALA CB . 25791 1 1008 . 2 2 12 12 ALA N N 15 127.456 0.150 . . . . . B 112 ALA N . 25791 1 1009 . 2 2 13 13 MET H H 1 8.345 0.015 . . . . . B 113 MET H . 25791 1 1010 . 2 2 13 13 MET HA H 1 4.473 0.015 . . . . . B 113 MET HA . 25791 1 1011 . 2 2 13 13 MET HB2 H 1 2.024 0.015 . . . . . B 113 MET HB2 . 25791 1 1012 . 2 2 13 13 MET HB3 H 1 2.115 0.015 . . . . . B 113 MET HB3 . 25791 1 1013 . 2 2 13 13 MET HG2 H 1 2.645 0.015 . . . . . B 113 MET HG2 . 25791 1 1014 . 2 2 13 13 MET HG3 H 1 2.565 0.015 . . . . . B 113 MET HG3 . 25791 1 1015 . 2 2 13 13 MET HE1 H 1 2.108 0.015 . . . . . B 113 MET QE . 25791 1 1016 . 2 2 13 13 MET HE2 H 1 2.108 0.015 . . . . . B 113 MET QE . 25791 1 1017 . 2 2 13 13 MET HE3 H 1 2.108 0.015 . . . . . B 113 MET QE . 25791 1 1018 . 2 2 13 13 MET C C 13 176.856 0.150 . . . . . B 113 MET C . 25791 1 1019 . 2 2 13 13 MET CA C 13 55.692 0.150 . . . . . B 113 MET CA . 25791 1 1020 . 2 2 13 13 MET CB C 13 32.968 0.150 . . . . . B 113 MET CB . 25791 1 1021 . 2 2 13 13 MET CG C 13 32.010 0.150 . . . . . B 113 MET CG . 25791 1 1022 . 2 2 13 13 MET CE C 13 16.992 0.150 . . . . . B 113 MET CE . 25791 1 1023 . 2 2 13 13 MET N N 15 119.855 0.150 . . . . . B 113 MET N . 25791 1 1024 . 2 2 14 14 GLY H H 1 8.339 0.015 . . . . . B 114 GLY H . 25791 1 1025 . 2 2 14 14 GLY HA2 H 1 3.977 0.015 . . . . . B 114 GLY QA . 25791 1 1026 . 2 2 14 14 GLY HA3 H 1 3.977 0.015 . . . . . B 114 GLY QA . 25791 1 1027 . 2 2 14 14 GLY C C 13 173.880 0.150 . . . . . B 114 GLY C . 25791 1 1028 . 2 2 14 14 GLY CA C 13 45.384 0.150 . . . . . B 114 GLY CA . 25791 1 1029 . 2 2 14 14 GLY N N 15 109.864 0.150 . . . . . B 114 GLY N . 25791 1 1030 . 2 2 15 15 ASP H H 1 8.263 0.015 . . . . . B 115 ASP H . 25791 1 1031 . 2 2 15 15 ASP HA H 1 4.666 0.015 . . . . . B 115 ASP HA . 25791 1 1032 . 2 2 15 15 ASP HB2 H 1 2.697 0.015 . . . . . B 115 ASP HB2 . 25791 1 1033 . 2 2 15 15 ASP HB3 H 1 2.629 0.015 . . . . . B 115 ASP HB3 . 25791 1 1034 . 2 2 15 15 ASP C C 13 176.457 0.150 . . . . . B 115 ASP C . 25791 1 1035 . 2 2 15 15 ASP CA C 13 54.401 0.150 . . . . . B 115 ASP CA . 25791 1 1036 . 2 2 15 15 ASP CB C 13 41.280 0.150 . . . . . B 115 ASP CB . 25791 1 1037 . 2 2 15 15 ASP N N 15 120.600 0.150 . . . . . B 115 ASP N . 25791 1 1038 . 2 2 16 16 THR H H 1 8.111 0.015 . . . . . B 116 THR H . 25791 1 1039 . 2 2 16 16 THR HA H 1 4.324 0.015 . . . . . B 116 THR HA . 25791 1 1040 . 2 2 16 16 THR HB H 1 4.160 0.015 . . . . . B 116 THR HB . 25791 1 1041 . 2 2 16 16 THR HG21 H 1 1.184 0.015 . . . . . B 116 THR QG2 . 25791 1 1042 . 2 2 16 16 THR HG22 H 1 1.184 0.015 . . . . . B 116 THR QG2 . 25791 1 1043 . 2 2 16 16 THR HG23 H 1 1.184 0.015 . . . . . B 116 THR QG2 . 25791 1 1044 . 2 2 16 16 THR C C 13 174.297 0.150 . . . . . B 116 THR C . 25791 1 1045 . 2 2 16 16 THR CA C 13 62.026 0.150 . . . . . B 116 THR CA . 25791 1 1046 . 2 2 16 16 THR CB C 13 69.954 0.150 . . . . . B 116 THR CB . 25791 1 1047 . 2 2 16 16 THR CG2 C 13 21.587 0.150 . . . . . B 116 THR CG2 . 25791 1 1048 . 2 2 16 16 THR N N 15 114.792 0.150 . . . . . B 116 THR N . 25791 1 1049 . 2 2 17 17 VAL H H 1 8.216 0.015 . . . . . B 117 VAL H . 25791 1 1050 . 2 2 17 17 VAL HA H 1 4.123 0.015 . . . . . B 117 VAL HA . 25791 1 1051 . 2 2 17 17 VAL HB H 1 2.048 0.015 . . . . . B 117 VAL HB . 25791 1 1052 . 2 2 17 17 VAL HG11 H 1 0.910 0.015 . . . . . B 117 VAL QQG . 25791 1 1053 . 2 2 17 17 VAL HG12 H 1 0.910 0.015 . . . . . B 117 VAL QQG . 25791 1 1054 . 2 2 17 17 VAL HG13 H 1 0.910 0.015 . . . . . B 117 VAL QQG . 25791 1 1055 . 2 2 17 17 VAL HG21 H 1 0.910 0.015 . . . . . B 117 VAL QQG . 25791 1 1056 . 2 2 17 17 VAL HG22 H 1 0.910 0.015 . . . . . B 117 VAL QQG . 25791 1 1057 . 2 2 17 17 VAL HG23 H 1 0.910 0.015 . . . . . B 117 VAL QQG . 25791 1 1058 . 2 2 17 17 VAL C C 13 175.857 0.150 . . . . . B 117 VAL C . 25791 1 1059 . 2 2 17 17 VAL CA C 13 62.369 0.150 . . . . . B 117 VAL CA . 25791 1 1060 . 2 2 17 17 VAL CB C 13 32.738 0.150 . . . . . B 117 VAL CB . 25791 1 1061 . 2 2 17 17 VAL CG1 C 13 20.940 0.150 . . . . . B 117 VAL CG1 . 25791 1 1062 . 2 2 17 17 VAL N N 15 123.914 0.150 . . . . . B 117 VAL N . 25791 1 1063 . 2 2 18 18 VAL H H 1 8.254 0.015 . . . . . B 118 VAL H . 25791 1 1064 . 2 2 18 18 VAL HA H 1 4.118 0.015 . . . . . B 118 VAL HA . 25791 1 1065 . 2 2 18 18 VAL HB H 1 2.010 0.015 . . . . . B 118 VAL HB . 25791 1 1066 . 2 2 18 18 VAL HG11 H 1 0.904 0.015 . . . . . B 118 VAL QQG . 25791 1 1067 . 2 2 18 18 VAL HG12 H 1 0.904 0.015 . . . . . B 118 VAL QQG . 25791 1 1068 . 2 2 18 18 VAL HG13 H 1 0.904 0.015 . . . . . B 118 VAL QQG . 25791 1 1069 . 2 2 18 18 VAL HG21 H 1 0.904 0.015 . . . . . B 118 VAL QQG . 25791 1 1070 . 2 2 18 18 VAL HG22 H 1 0.904 0.015 . . . . . B 118 VAL QQG . 25791 1 1071 . 2 2 18 18 VAL HG23 H 1 0.904 0.015 . . . . . B 118 VAL QQG . 25791 1 1072 . 2 2 18 18 VAL C C 13 175.740 0.150 . . . . . B 118 VAL C . 25791 1 1073 . 2 2 18 18 VAL CA C 13 61.979 0.150 . . . . . B 118 VAL CA . 25791 1 1074 . 2 2 18 18 VAL CB C 13 32.836 0.150 . . . . . B 118 VAL CB . 25791 1 1075 . 2 2 18 18 VAL CG1 C 13 20.818 0.150 . . . . . B 118 VAL CG1 . 25791 1 1076 . 2 2 18 18 VAL N N 15 125.126 0.150 . . . . . B 118 VAL N . 25791 1 1077 . 2 2 19 19 GLU H H 1 8.463 0.015 . . . . . B 119 GLU H . 25791 1 1078 . 2 2 19 19 GLU HA H 1 4.575 0.015 . . . . . B 119 GLU HA . 25791 1 1079 . 2 2 19 19 GLU HB2 H 1 2.001 0.015 . . . . . B 119 GLU HB2 . 25791 1 1080 . 2 2 19 19 GLU HB3 H 1 1.877 0.015 . . . . . B 119 GLU HB3 . 25791 1 1081 . 2 2 19 19 GLU HG2 H 1 2.266 0.015 . . . . . B 119 GLU QG . 25791 1 1082 . 2 2 19 19 GLU HG3 H 1 2.266 0.015 . . . . . B 119 GLU QG . 25791 1 1083 . 2 2 19 19 GLU C C 13 174.275 0.150 . . . . . B 119 GLU C . 25791 1 1084 . 2 2 19 19 GLU CA C 13 54.188 0.150 . . . . . B 119 GLU CA . 25791 1 1085 . 2 2 19 19 GLU CB C 13 29.932 0.150 . . . . . B 119 GLU CB . 25791 1 1086 . 2 2 19 19 GLU CG C 13 36.220 0.150 . . . . . B 119 GLU CG . 25791 1 1087 . 2 2 19 19 GLU N N 15 126.870 0.150 . . . . . B 119 GLU N . 25791 1 1088 . 2 2 20 20 PRO HA H 1 4.712 0.015 . . . . . B 120 PRO HA . 25791 1 1089 . 2 2 20 20 PRO HB2 H 1 2.073 0.015 . . . . . B 120 PRO HB2 . 25791 1 1090 . 2 2 20 20 PRO HB3 H 1 2.370 0.015 . . . . . B 120 PRO HB3 . 25791 1 1091 . 2 2 20 20 PRO HG2 H 1 1.951 0.015 . . . . . B 120 PRO HG2 . 25791 1 1092 . 2 2 20 20 PRO HG3 H 1 1.921 0.015 . . . . . B 120 PRO HG3 . 25791 1 1093 . 2 2 20 20 PRO HD2 H 1 3.628 0.015 . . . . . B 120 PRO HD2 . 25791 1 1094 . 2 2 20 20 PRO HD3 H 1 3.806 0.015 . . . . . B 120 PRO HD3 . 25791 1 1095 . 2 2 20 20 PRO C C 13 175.506 0.150 . . . . . B 120 PRO C . 25791 1 1096 . 2 2 20 20 PRO CA C 13 62.444 0.150 . . . . . B 120 PRO CA . 25791 1 1097 . 2 2 20 20 PRO CB C 13 34.076 0.150 . . . . . B 120 PRO CB . 25791 1 1098 . 2 2 20 20 PRO CG C 13 24.864 0.150 . . . . . B 120 PRO CG . 25791 1 1099 . 2 2 20 20 PRO CD C 13 50.388 0.150 . . . . . B 120 PRO CD . 25791 1 1100 . 2 2 21 21 ALA H H 1 8.496 0.015 . . . . . B 121 ALA H . 25791 1 1101 . 2 2 21 21 ALA HA H 1 4.503 0.015 . . . . . B 121 ALA HA . 25791 1 1102 . 2 2 21 21 ALA HB1 H 1 1.375 0.015 . . . . . B 121 ALA QB . 25791 1 1103 . 2 2 21 21 ALA HB2 H 1 1.375 0.015 . . . . . B 121 ALA QB . 25791 1 1104 . 2 2 21 21 ALA HB3 H 1 1.375 0.015 . . . . . B 121 ALA QB . 25791 1 1105 . 2 2 21 21 ALA C C 13 175.868 0.150 . . . . . B 121 ALA C . 25791 1 1106 . 2 2 21 21 ALA CA C 13 50.626 0.150 . . . . . B 121 ALA CA . 25791 1 1107 . 2 2 21 21 ALA CB C 13 18.059 0.150 . . . . . B 121 ALA CB . 25791 1 1108 . 2 2 21 21 ALA N N 15 126.115 0.150 . . . . . B 121 ALA N . 25791 1 1109 . 2 2 22 22 PRO HA H 1 4.405 0.015 . . . . . B 122 PRO HA . 25791 1 1110 . 2 2 22 22 PRO HB2 H 1 1.871 0.015 . . . . . B 122 PRO HB2 . 25791 1 1111 . 2 2 22 22 PRO HB3 H 1 2.274 0.015 . . . . . B 122 PRO HB3 . 25791 1 1112 . 2 2 22 22 PRO HG2 H 1 2.016 0.015 . . . . . B 122 PRO QG . 25791 1 1113 . 2 2 22 22 PRO HG3 H 1 2.016 0.015 . . . . . B 122 PRO QG . 25791 1 1114 . 2 2 22 22 PRO C C 13 176.805 0.150 . . . . . B 122 PRO C . 25791 1 1115 . 2 2 22 22 PRO CA C 13 62.852 0.150 . . . . . B 122 PRO CA . 25791 1 1116 . 2 2 22 22 PRO CB C 13 32.048 0.150 . . . . . B 122 PRO CB . 25791 1 1117 . 2 2 22 22 PRO CG C 13 27.392 0.150 . . . . . B 122 PRO CG . 25791 1 1118 . 2 2 22 22 PRO CD C 13 50.452 0.150 . . . . . B 122 PRO CD . 25791 1 1119 . 2 2 23 23 LEU H H 1 8.296 0.015 . . . . . B 123 LEU H . 25791 1 1120 . 2 2 23 23 LEU HA H 1 4.295 0.015 . . . . . B 123 LEU HA . 25791 1 1121 . 2 2 23 23 LEU HB2 H 1 1.625 0.015 . . . . . B 123 LEU HB2 . 25791 1 1122 . 2 2 23 23 LEU HB3 H 1 1.546 0.015 . . . . . B 123 LEU HB3 . 25791 1 1123 . 2 2 23 23 LEU HG H 1 1.637 0.015 . . . . . B 123 LEU HG . 25791 1 1124 . 2 2 23 23 LEU HD11 H 1 0.927 0.015 . . . . . B 123 LEU QD1 . 25791 1 1125 . 2 2 23 23 LEU HD12 H 1 0.927 0.015 . . . . . B 123 LEU QD1 . 25791 1 1126 . 2 2 23 23 LEU HD13 H 1 0.927 0.015 . . . . . B 123 LEU QD1 . 25791 1 1127 . 2 2 23 23 LEU HD21 H 1 0.884 0.015 . . . . . B 123 LEU QD2 . 25791 1 1128 . 2 2 23 23 LEU HD22 H 1 0.884 0.015 . . . . . B 123 LEU QD2 . 25791 1 1129 . 2 2 23 23 LEU HD23 H 1 0.884 0.015 . . . . . B 123 LEU QD2 . 25791 1 1130 . 2 2 23 23 LEU C C 13 177.201 0.150 . . . . . B 123 LEU C . 25791 1 1131 . 2 2 23 23 LEU CA C 13 55.146 0.150 . . . . . B 123 LEU CA . 25791 1 1132 . 2 2 23 23 LEU CB C 13 42.408 0.150 . . . . . B 123 LEU CB . 25791 1 1133 . 2 2 23 23 LEU CG C 13 27.007 0.150 . . . . . B 123 LEU CG . 25791 1 1134 . 2 2 23 23 LEU CD1 C 13 24.765 0.150 . . . . . B 123 LEU CD1 . 25791 1 1135 . 2 2 23 23 LEU CD2 C 13 23.652 0.150 . . . . . B 123 LEU CD2 . 25791 1 1136 . 2 2 23 23 LEU N N 15 122.578 0.150 . . . . . B 123 LEU N . 25791 1 1137 . 2 2 24 24 LYS H H 1 8.274 0.015 . . . . . B 124 LYS H . 25791 1 1138 . 2 2 24 24 LYS HA H 1 4.639 0.015 . . . . . B 124 LYS HA . 25791 1 1139 . 2 2 24 24 LYS HB2 H 1 1.819 0.015 . . . . . B 124 LYS HB2 . 25791 1 1140 . 2 2 24 24 LYS HB3 H 1 1.725 0.015 . . . . . B 124 LYS HB3 . 25791 1 1141 . 2 2 24 24 LYS HG2 H 1 1.459 0.015 . . . . . B 124 LYS QG . 25791 1 1142 . 2 2 24 24 LYS HG3 H 1 1.459 0.015 . . . . . B 124 LYS QG . 25791 1 1143 . 2 2 24 24 LYS HD2 H 1 1.696 0.015 . . . . . B 124 LYS QD . 25791 1 1144 . 2 2 24 24 LYS HD3 H 1 1.696 0.015 . . . . . B 124 LYS QD . 25791 1 1145 . 2 2 24 24 LYS HE2 H 1 3.007 0.015 . . . . . B 124 LYS QE . 25791 1 1146 . 2 2 24 24 LYS HE3 H 1 3.007 0.015 . . . . . B 124 LYS QE . 25791 1 1147 . 2 2 24 24 LYS C C 13 174.458 0.150 . . . . . B 124 LYS C . 25791 1 1148 . 2 2 24 24 LYS CA C 13 53.961 0.150 . . . . . B 124 LYS CA . 25791 1 1149 . 2 2 24 24 LYS CB C 13 32.711 0.150 . . . . . B 124 LYS CB . 25791 1 1150 . 2 2 24 24 LYS CG C 13 24.604 0.150 . . . . . B 124 LYS CG . 25791 1 1151 . 2 2 24 24 LYS CD C 13 29.205 0.150 . . . . . B 124 LYS CD . 25791 1 1152 . 2 2 24 24 LYS CE C 13 42.191 0.150 . . . . . B 124 LYS CE . 25791 1 1153 . 2 2 24 24 LYS N N 15 123.525 0.150 . . . . . B 124 LYS N . 25791 1 1154 . 2 2 25 25 PRO HA H 1 4.877 0.015 . . . . . B 125 PRO HA . 25791 1 1155 . 2 2 25 25 PRO HB2 H 1 2.413 0.015 . . . . . B 125 PRO HB2 . 25791 1 1156 . 2 2 25 25 PRO HB3 H 1 2.182 0.015 . . . . . B 125 PRO HB3 . 25791 1 1157 . 2 2 25 25 PRO HG2 H 1 1.960 0.015 . . . . . B 125 PRO HG2 . 25791 1 1158 . 2 2 25 25 PRO HG3 H 1 1.866 0.015 . . . . . B 125 PRO HG3 . 25791 1 1159 . 2 2 25 25 PRO HD2 H 1 3.584 0.015 . . . . . B 125 PRO HD2 . 25791 1 1160 . 2 2 25 25 PRO HD3 H 1 3.502 0.015 . . . . . B 125 PRO HD3 . 25791 1 1161 . 2 2 25 25 PRO C C 13 176.832 0.150 . . . . . B 125 PRO C . 25791 1 1162 . 2 2 25 25 PRO CA C 13 62.486 0.150 . . . . . B 125 PRO CA . 25791 1 1163 . 2 2 25 25 PRO CB C 13 34.380 0.150 . . . . . B 125 PRO CB . 25791 1 1164 . 2 2 25 25 PRO CG C 13 24.705 0.150 . . . . . B 125 PRO CG . 25791 1 1165 . 2 2 25 25 PRO CD C 13 50.175 0.150 . . . . . B 125 PRO CD . 25791 1 1166 . 2 2 26 26 THR H H 1 8.512 0.015 . . . . . B 126 THR H . 25791 1 1167 . 2 2 26 26 THR HA H 1 4.357 0.015 . . . . . B 126 THR HA . 25791 1 1168 . 2 2 26 26 THR HB H 1 4.274 0.015 . . . . . B 126 THR HB . 25791 1 1169 . 2 2 26 26 THR HG21 H 1 1.243 0.015 . . . . . B 126 THR QG2 . 25791 1 1170 . 2 2 26 26 THR HG22 H 1 1.243 0.015 . . . . . B 126 THR QG2 . 25791 1 1171 . 2 2 26 26 THR HG23 H 1 1.243 0.015 . . . . . B 126 THR QG2 . 25791 1 1172 . 2 2 26 26 THR C C 13 174.592 0.150 . . . . . B 126 THR C . 25791 1 1173 . 2 2 26 26 THR CA C 13 62.543 0.150 . . . . . B 126 THR CA . 25791 1 1174 . 2 2 26 26 THR CB C 13 69.769 0.150 . . . . . B 126 THR CB . 25791 1 1175 . 2 2 26 26 THR CG2 C 13 21.487 0.150 . . . . . B 126 THR CG2 . 25791 1 1176 . 2 2 26 26 THR N N 15 115.585 0.150 . . . . . B 126 THR N . 25791 1 1177 . 2 2 27 27 SER H H 1 8.263 0.015 . . . . . B 127 SER H . 25791 1 1178 . 2 2 27 27 SER HA H 1 4.501 0.015 . . . . . B 127 SER HA . 25791 1 1179 . 2 2 27 27 SER HB2 H 1 3.853 0.015 . . . . . B 127 SER QB . 25791 1 1180 . 2 2 27 27 SER HB3 H 1 3.853 0.015 . . . . . B 127 SER QB . 25791 1 1181 . 2 2 27 27 SER C C 13 174.002 0.150 . . . . . B 127 SER C . 25791 1 1182 . 2 2 27 27 SER CA C 13 58.075 0.150 . . . . . B 127 SER CA . 25791 1 1183 . 2 2 27 27 SER CB C 13 64.045 0.150 . . . . . B 127 SER CB . 25791 1 1184 . 2 2 27 27 SER N N 15 117.727 0.150 . . . . . B 127 SER N . 25791 1 1185 . 2 2 28 28 GLU H H 1 8.390 0.015 . . . . . B 128 GLU H . 25791 1 1186 . 2 2 28 28 GLU HA H 1 4.625 0.015 . . . . . B 128 GLU HA . 25791 1 1187 . 2 2 28 28 GLU HB2 H 1 2.046 0.015 . . . . . B 128 GLU HB2 . 25791 1 1188 . 2 2 28 28 GLU HB3 H 1 1.884 0.015 . . . . . B 128 GLU HB3 . 25791 1 1189 . 2 2 28 28 GLU HG2 H 1 2.282 0.015 . . . . . B 128 GLU QG . 25791 1 1190 . 2 2 28 28 GLU HG3 H 1 2.282 0.015 . . . . . B 128 GLU QG . 25791 1 1191 . 2 2 28 28 GLU C C 13 174.713 0.150 . . . . . B 128 GLU C . 25791 1 1192 . 2 2 28 28 GLU CA C 13 54.508 0.150 . . . . . B 128 GLU CA . 25791 1 1193 . 2 2 28 28 GLU CB C 13 29.867 0.150 . . . . . B 128 GLU CB . 25791 1 1194 . 2 2 28 28 GLU N N 15 123.954 0.150 . . . . . B 128 GLU N . 25791 1 1195 . 2 2 29 29 PRO HA H 1 4.505 0.015 . . . . . B 129 PRO HA . 25791 1 1196 . 2 2 29 29 PRO HB2 H 1 2.320 0.015 . . . . . B 129 PRO HB2 . 25791 1 1197 . 2 2 29 29 PRO HB3 H 1 1.960 0.015 . . . . . B 129 PRO HB3 . 25791 1 1198 . 2 2 29 29 PRO HG2 H 1 2.033 0.015 . . . . . B 129 PRO QG . 25791 1 1199 . 2 2 29 29 PRO HG3 H 1 2.033 0.015 . . . . . B 129 PRO QG . 25791 1 1200 . 2 2 29 29 PRO HD2 H 1 3.663 0.015 . . . . . B 129 PRO HD2 . 25791 1 1201 . 2 2 29 29 PRO HD3 H 1 3.818 0.015 . . . . . B 129 PRO HD3 . 25791 1 1202 . 2 2 29 29 PRO C C 13 177.233 0.150 . . . . . B 129 PRO C . 25791 1 1203 . 2 2 29 29 PRO CA C 13 63.186 0.150 . . . . . B 129 PRO CA . 25791 1 1204 . 2 2 29 29 PRO CB C 13 32.101 0.150 . . . . . B 129 PRO CB . 25791 1 1205 . 2 2 29 29 PRO CG C 13 27.343 0.150 . . . . . B 129 PRO CG . 25791 1 1206 . 2 2 29 29 PRO CD C 13 50.704 0.150 . . . . . B 129 PRO CD . 25791 1 1207 . 2 2 30 30 THR H H 1 8.283 0.015 . . . . . B 130 THR H . 25791 1 1208 . 2 2 30 30 THR HA H 1 4.376 0.015 . . . . . B 130 THR HA . 25791 1 1209 . 2 2 30 30 THR HB H 1 4.274 0.015 . . . . . B 130 THR HB . 25791 1 1210 . 2 2 30 30 THR HG21 H 1 1.238 0.015 . . . . . B 130 THR QG2 . 25791 1 1211 . 2 2 30 30 THR HG22 H 1 1.238 0.015 . . . . . B 130 THR QG2 . 25791 1 1212 . 2 2 30 30 THR HG23 H 1 1.238 0.015 . . . . . B 130 THR QG2 . 25791 1 1213 . 2 2 30 30 THR C C 13 174.670 0.150 . . . . . B 130 THR C . 25791 1 1214 . 2 2 30 30 THR CA C 13 61.787 0.150 . . . . . B 130 THR CA . 25791 1 1215 . 2 2 30 30 THR CB C 13 69.907 0.150 . . . . . B 130 THR CB . 25791 1 1216 . 2 2 30 30 THR CG2 C 13 21.487 0.150 . . . . . B 130 THR CG2 . 25791 1 1217 . 2 2 30 30 THR N N 15 114.230 0.150 . . . . . B 130 THR N . 25791 1 1218 . 2 2 31 31 SER H H 1 8.286 0.015 . . . . . B 131 SER H . 25791 1 1219 . 2 2 31 31 SER HA H 1 4.535 0.015 . . . . . B 131 SER HA . 25791 1 1220 . 2 2 31 31 SER HB2 H 1 3.889 0.015 . . . . . B 131 SER QB . 25791 1 1221 . 2 2 31 31 SER HB3 H 1 3.889 0.015 . . . . . B 131 SER QB . 25791 1 1222 . 2 2 31 31 SER C C 13 174.495 0.150 . . . . . B 131 SER C . 25791 1 1223 . 2 2 31 31 SER CA C 13 58.206 0.150 . . . . . B 131 SER CA . 25791 1 1224 . 2 2 31 31 SER CB C 13 64.118 0.150 . . . . . B 131 SER CB . 25791 1 1225 . 2 2 31 31 SER N N 15 117.731 0.150 . . . . . B 131 SER N . 25791 1 1226 . 2 2 32 32 GLY H H 1 8.219 0.015 . . . . . B 132 GLY H . 25791 1 1227 . 2 2 32 32 GLY HA2 H 1 4.159 0.015 . . . . . B 132 GLY HA2 . 25791 1 1228 . 2 2 32 32 GLY HA3 H 1 4.056 0.015 . . . . . B 132 GLY HA3 . 25791 1 1229 . 2 2 32 32 GLY C C 13 180.092 0.150 . . . . . B 132 GLY C . 25791 1 1230 . 2 2 32 32 GLY CA C 13 44.559 0.150 . . . . . B 132 GLY CA . 25791 1 1231 . 2 2 32 32 GLY N N 15 110.642 0.150 . . . . . B 132 GLY N . 25791 1 1232 . 2 2 33 33 PRO HA H 1 4.707 0.015 . . . . . B 133 PRO HA . 25791 1 1233 . 2 2 33 33 PRO HB2 H 1 2.337 0.015 . . . . . B 133 PRO HB2 . 25791 1 1234 . 2 2 33 33 PRO HB3 H 1 1.931 0.015 . . . . . B 133 PRO HB3 . 25791 1 1235 . 2 2 33 33 PRO HG2 H 1 2.035 0.015 . . . . . B 133 PRO QG . 25791 1 1236 . 2 2 33 33 PRO HG3 H 1 2.035 0.015 . . . . . B 133 PRO QG . 25791 1 1237 . 2 2 33 33 PRO HD2 H 1 3.643 0.015 . . . . . B 133 PRO HD2 . 25791 1 1238 . 2 2 33 33 PRO HD3 H 1 3.597 0.015 . . . . . B 133 PRO HD3 . 25791 1 1239 . 2 2 33 33 PRO CA C 13 61.509 0.150 . . . . . B 133 PRO CA . 25791 1 1240 . 2 2 33 33 PRO CB C 13 30.948 0.150 . . . . . B 133 PRO CB . 25791 1 1241 . 2 2 33 33 PRO CG C 13 27.295 0.150 . . . . . B 133 PRO CG . 25791 1 1242 . 2 2 33 33 PRO CD C 13 49.748 0.150 . . . . . B 133 PRO CD . 25791 1 1243 . 2 2 34 34 PRO HA H 1 4.446 0.015 . . . . . B 134 PRO HA . 25791 1 1244 . 2 2 34 34 PRO HB2 H 1 2.301 0.015 . . . . . B 134 PRO HB2 . 25791 1 1245 . 2 2 34 34 PRO HB3 H 1 1.957 0.015 . . . . . B 134 PRO HB3 . 25791 1 1246 . 2 2 34 34 PRO HG2 H 1 2.051 0.015 . . . . . B 134 PRO QG . 25791 1 1247 . 2 2 34 34 PRO HG3 H 1 2.051 0.015 . . . . . B 134 PRO QG . 25791 1 1248 . 2 2 34 34 PRO HD2 H 1 3.818 0.015 . . . . . B 134 PRO HD2 . 25791 1 1249 . 2 2 34 34 PRO HD3 H 1 3.669 0.015 . . . . . B 134 PRO HD3 . 25791 1 1250 . 2 2 34 34 PRO C C 13 177.673 0.150 . . . . . B 134 PRO C . 25791 1 1251 . 2 2 34 34 PRO CA C 13 63.289 0.150 . . . . . B 134 PRO CA . 25791 1 1252 . 2 2 34 34 PRO CB C 13 31.964 0.150 . . . . . B 134 PRO CB . 25791 1 1253 . 2 2 34 34 PRO CG C 13 27.309 0.150 . . . . . B 134 PRO CG . 25791 1 1254 . 2 2 34 34 PRO CD C 13 50.422 0.150 . . . . . B 134 PRO CD . 25791 1 1255 . 2 2 35 35 GLY H H 1 8.448 0.015 . . . . . B 135 GLY H . 25791 1 1256 . 2 2 35 35 GLY HA2 H 1 3.951 0.015 . . . . . B 135 GLY QA . 25791 1 1257 . 2 2 35 35 GLY HA3 H 1 3.951 0.015 . . . . . B 135 GLY QA . 25791 1 1258 . 2 2 35 35 GLY C C 13 174.077 0.150 . . . . . B 135 GLY C . 25791 1 1259 . 2 2 35 35 GLY CA C 13 45.285 0.150 . . . . . B 135 GLY CA . 25791 1 1260 . 2 2 35 35 GLY N N 15 108.820 0.150 . . . . . B 135 GLY N . 25791 1 1261 . 2 2 36 36 ASN H H 1 8.315 0.015 . . . . . B 136 ASN H . 25791 1 1262 . 2 2 36 36 ASN HA H 1 4.726 0.015 . . . . . B 136 ASN HA . 25791 1 1263 . 2 2 36 36 ASN HB2 H 1 2.763 0.015 . . . . . B 136 ASN HB2 . 25791 1 1264 . 2 2 36 36 ASN HB3 H 1 2.840 0.015 . . . . . B 136 ASN HB3 . 25791 1 1265 . 2 2 36 36 ASN C C 13 175.250 0.150 . . . . . B 136 ASN C . 25791 1 1266 . 2 2 36 36 ASN CA C 13 53.263 0.150 . . . . . B 136 ASN CA . 25791 1 1267 . 2 2 36 36 ASN CB C 13 38.958 0.150 . . . . . B 136 ASN CB . 25791 1 1268 . 2 2 36 36 ASN N N 15 118.550 0.150 . . . . . B 136 ASN N . 25791 1 1269 . 2 2 37 37 ASN H H 1 8.539 0.015 . . . . . B 137 ASN H . 25791 1 1270 . 2 2 37 37 ASN HA H 1 4.733 0.015 . . . . . B 137 ASN HA . 25791 1 1271 . 2 2 37 37 ASN HB2 H 1 2.793 0.015 . . . . . B 137 ASN HB2 . 25791 1 1272 . 2 2 37 37 ASN HB3 H 1 2.869 0.015 . . . . . B 137 ASN HB3 . 25791 1 1273 . 2 2 37 37 ASN HD21 H 1 7.593 0.015 . . . . . B 137 ASN HD21 . 25791 1 1274 . 2 2 37 37 ASN HD22 H 1 6.915 0.015 . . . . . B 137 ASN HD22 . 25791 1 1275 . 2 2 37 37 ASN C C 13 175.858 0.150 . . . . . B 137 ASN C . 25791 1 1276 . 2 2 37 37 ASN CA C 13 53.468 0.150 . . . . . B 137 ASN CA . 25791 1 1277 . 2 2 37 37 ASN CB C 13 38.870 0.150 . . . . . B 137 ASN CB . 25791 1 1278 . 2 2 37 37 ASN N N 15 119.364 0.150 . . . . . B 137 ASN N . 25791 1 1279 . 2 2 37 37 ASN ND2 N 15 112.911 0.150 . . . . . B 137 ASN ND2 . 25791 1 1280 . 2 2 38 38 GLY H H 1 8.447 0.015 . . . . . B 138 GLY H . 25791 1 1281 . 2 2 38 38 GLY HA2 H 1 3.970 0.015 . . . . . B 138 GLY QA . 25791 1 1282 . 2 2 38 38 GLY HA3 H 1 3.970 0.015 . . . . . B 138 GLY QA . 25791 1 1283 . 2 2 38 38 GLY C C 13 174.865 0.150 . . . . . B 138 GLY C . 25791 1 1284 . 2 2 38 38 GLY CA C 13 45.721 0.150 . . . . . B 138 GLY CA . 25791 1 1285 . 2 2 38 38 GLY N N 15 109.173 0.150 . . . . . B 138 GLY N . 25791 1 1286 . 2 2 39 39 GLY H H 1 8.252 0.015 . . . . . B 139 GLY H . 25791 1 1287 . 2 2 39 39 GLY HA2 H 1 3.989 0.015 . . . . . B 139 GLY QA . 25791 1 1288 . 2 2 39 39 GLY HA3 H 1 3.989 0.015 . . . . . B 139 GLY QA . 25791 1 1289 . 2 2 39 39 GLY C C 13 174.327 0.150 . . . . . B 139 GLY C . 25791 1 1290 . 2 2 39 39 GLY CA C 13 45.329 0.150 . . . . . B 139 GLY CA . 25791 1 1291 . 2 2 39 39 GLY N N 15 108.709 0.150 . . . . . B 139 GLY N . 25791 1 1292 . 2 2 40 40 SER H H 1 8.193 0.015 . . . . . B 140 SER H . 25791 1 1293 . 2 2 40 40 SER HA H 1 4.472 0.015 . . . . . B 140 SER HA . 25791 1 1294 . 2 2 40 40 SER HB2 H 1 3.869 0.015 . . . . . B 140 SER QB . 25791 1 1295 . 2 2 40 40 SER HB3 H 1 3.869 0.015 . . . . . B 140 SER QB . 25791 1 1296 . 2 2 40 40 SER C C 13 174.704 0.150 . . . . . B 140 SER C . 25791 1 1297 . 2 2 40 40 SER CA C 13 58.406 0.150 . . . . . B 140 SER CA . 25791 1 1298 . 2 2 40 40 SER CB C 13 63.959 0.150 . . . . . B 140 SER CB . 25791 1 1299 . 2 2 40 40 SER N N 15 115.565 0.150 . . . . . B 140 SER N . 25791 1 1300 . 2 2 41 41 LEU H H 1 8.333 0.015 . . . . . B 141 LEU H . 25791 1 1301 . 2 2 41 41 LEU HA H 1 4.351 0.015 . . . . . B 141 LEU HA . 25791 1 1302 . 2 2 41 41 LEU HB2 H 1 1.624 0.015 . . . . . B 141 LEU QB . 25791 1 1303 . 2 2 41 41 LEU HB3 H 1 1.624 0.015 . . . . . B 141 LEU QB . 25791 1 1304 . 2 2 41 41 LEU HG H 1 1.620 0.015 . . . . . B 141 LEU HG . 25791 1 1305 . 2 2 41 41 LEU HD11 H 1 0.918 0.015 . . . . . B 141 LEU QD1 . 25791 1 1306 . 2 2 41 41 LEU HD12 H 1 0.918 0.015 . . . . . B 141 LEU QD1 . 25791 1 1307 . 2 2 41 41 LEU HD13 H 1 0.918 0.015 . . . . . B 141 LEU QD1 . 25791 1 1308 . 2 2 41 41 LEU HD21 H 1 0.863 0.015 . . . . . B 141 LEU QD2 . 25791 1 1309 . 2 2 41 41 LEU HD22 H 1 0.863 0.015 . . . . . B 141 LEU QD2 . 25791 1 1310 . 2 2 41 41 LEU HD23 H 1 0.863 0.015 . . . . . B 141 LEU QD2 . 25791 1 1311 . 2 2 41 41 LEU C C 13 177.308 0.150 . . . . . B 141 LEU C . 25791 1 1312 . 2 2 41 41 LEU CA C 13 55.478 0.150 . . . . . B 141 LEU CA . 25791 1 1313 . 2 2 41 41 LEU CB C 13 42.194 0.150 . . . . . B 141 LEU CB . 25791 1 1314 . 2 2 41 41 LEU CG C 13 27.044 0.150 . . . . . B 141 LEU CG . 25791 1 1315 . 2 2 41 41 LEU CD1 C 13 24.738 0.150 . . . . . B 141 LEU CD1 . 25791 1 1316 . 2 2 41 41 LEU CD2 C 13 23.541 0.150 . . . . . B 141 LEU CD2 . 25791 1 1317 . 2 2 41 41 LEU N N 15 124.120 0.150 . . . . . B 141 LEU N . 25791 1 1318 . 2 2 42 42 LEU H H 1 8.136 0.015 . . . . . B 142 LEU H . 25791 1 1319 . 2 2 42 42 LEU HA H 1 4.351 0.015 . . . . . B 142 LEU HA . 25791 1 1320 . 2 2 42 42 LEU HB2 H 1 1.613 0.015 . . . . . B 142 LEU QB . 25791 1 1321 . 2 2 42 42 LEU HB3 H 1 1.613 0.015 . . . . . B 142 LEU QB . 25791 1 1322 . 2 2 42 42 LEU HG H 1 1.636 0.015 . . . . . B 142 LEU HG . 25791 1 1323 . 2 2 42 42 LEU HD11 H 1 0.920 0.015 . . . . . B 142 LEU QD1 . 25791 1 1324 . 2 2 42 42 LEU HD12 H 1 0.920 0.015 . . . . . B 142 LEU QD1 . 25791 1 1325 . 2 2 42 42 LEU HD13 H 1 0.920 0.015 . . . . . B 142 LEU QD1 . 25791 1 1326 . 2 2 42 42 LEU HD21 H 1 0.862 0.015 . . . . . B 142 LEU QD2 . 25791 1 1327 . 2 2 42 42 LEU HD22 H 1 0.862 0.015 . . . . . B 142 LEU QD2 . 25791 1 1328 . 2 2 42 42 LEU HD23 H 1 0.862 0.015 . . . . . B 142 LEU QD2 . 25791 1 1329 . 2 2 42 42 LEU C C 13 177.361 0.150 . . . . . B 142 LEU C . 25791 1 1330 . 2 2 42 42 LEU CA C 13 55.335 0.150 . . . . . B 142 LEU CA . 25791 1 1331 . 2 2 42 42 LEU CB C 13 42.319 0.150 . . . . . B 142 LEU CB . 25791 1 1332 . 2 2 42 42 LEU CG C 13 27.026 0.150 . . . . . B 142 LEU CG . 25791 1 1333 . 2 2 42 42 LEU CD1 C 13 24.734 0.150 . . . . . B 142 LEU CD1 . 25791 1 1334 . 2 2 42 42 LEU CD2 C 13 23.537 0.150 . . . . . B 142 LEU CD2 . 25791 1 1335 . 2 2 42 42 LEU N N 15 122.065 0.150 . . . . . B 142 LEU N . 25791 1 1336 . 2 2 43 43 SER H H 1 8.179 0.015 . . . . . B 143 SER H . 25791 1 1337 . 2 2 43 43 SER HA H 1 4.464 0.015 . . . . . B 143 SER HA . 25791 1 1338 . 2 2 43 43 SER HB2 H 1 3.842 0.015 . . . . . B 143 SER QB . 25791 1 1339 . 2 2 43 43 SER HB3 H 1 3.842 0.015 . . . . . B 143 SER QB . 25791 1 1340 . 2 2 43 43 SER C C 13 174.354 0.150 . . . . . B 143 SER C . 25791 1 1341 . 2 2 43 43 SER CA C 13 58.424 0.150 . . . . . B 143 SER CA . 25791 1 1342 . 2 2 43 43 SER CB C 13 63.751 0.150 . . . . . B 143 SER CB . 25791 1 1343 . 2 2 43 43 SER N N 15 116.475 0.150 . . . . . B 143 SER N . 25791 1 1344 . 2 2 44 44 VAL H H 1 8.030 0.015 . . . . . B 144 VAL H . 25791 1 1345 . 2 2 44 44 VAL HA H 1 4.151 0.015 . . . . . B 144 VAL HA . 25791 1 1346 . 2 2 44 44 VAL HB H 1 2.092 0.015 . . . . . B 144 VAL HB . 25791 1 1347 . 2 2 44 44 VAL HG11 H 1 0.917 0.015 . . . . . B 144 VAL QQG . 25791 1 1348 . 2 2 44 44 VAL HG12 H 1 0.917 0.015 . . . . . B 144 VAL QQG . 25791 1 1349 . 2 2 44 44 VAL HG13 H 1 0.917 0.015 . . . . . B 144 VAL QQG . 25791 1 1350 . 2 2 44 44 VAL HG21 H 1 0.917 0.015 . . . . . B 144 VAL QQG . 25791 1 1351 . 2 2 44 44 VAL HG22 H 1 0.917 0.015 . . . . . B 144 VAL QQG . 25791 1 1352 . 2 2 44 44 VAL HG23 H 1 0.917 0.015 . . . . . B 144 VAL QQG . 25791 1 1353 . 2 2 44 44 VAL C C 13 176.114 0.150 . . . . . B 144 VAL C . 25791 1 1354 . 2 2 44 44 VAL CA C 13 62.319 0.150 . . . . . B 144 VAL CA . 25791 1 1355 . 2 2 44 44 VAL CB C 13 32.770 0.150 . . . . . B 144 VAL CB . 25791 1 1356 . 2 2 44 44 VAL CG1 C 13 21.096 0.150 . . . . . B 144 VAL CG1 . 25791 1 1357 . 2 2 44 44 VAL CG2 C 13 20.705 0.150 . . . . . B 144 VAL CG2 . 25791 1 1358 . 2 2 44 44 VAL N N 15 121.509 0.150 . . . . . B 144 VAL N . 25791 1 1359 . 2 2 45 45 ILE H H 1 8.219 0.015 . . . . . B 145 ILE H . 25791 1 1360 . 2 2 45 45 ILE HA H 1 4.239 0.015 . . . . . B 145 ILE HA . 25791 1 1361 . 2 2 45 45 ILE HB H 1 1.885 0.015 . . . . . B 145 ILE HB . 25791 1 1362 . 2 2 45 45 ILE HG12 H 1 1.489 0.015 . . . . . B 145 ILE HG12 . 25791 1 1363 . 2 2 45 45 ILE HG13 H 1 1.203 0.015 . . . . . B 145 ILE HG13 . 25791 1 1364 . 2 2 45 45 ILE HG21 H 1 0.903 0.015 . . . . . B 145 ILE QG2 . 25791 1 1365 . 2 2 45 45 ILE HG22 H 1 0.903 0.015 . . . . . B 145 ILE QG2 . 25791 1 1366 . 2 2 45 45 ILE HG23 H 1 0.903 0.015 . . . . . B 145 ILE QG2 . 25791 1 1367 . 2 2 45 45 ILE HD11 H 1 0.848 0.015 . . . . . B 145 ILE QD1 . 25791 1 1368 . 2 2 45 45 ILE HD12 H 1 0.848 0.015 . . . . . B 145 ILE QD1 . 25791 1 1369 . 2 2 45 45 ILE HD13 H 1 0.848 0.015 . . . . . B 145 ILE QD1 . 25791 1 1370 . 2 2 45 45 ILE C C 13 176.469 0.150 . . . . . B 145 ILE C . 25791 1 1371 . 2 2 45 45 ILE CA C 13 61.180 0.150 . . . . . B 145 ILE CA . 25791 1 1372 . 2 2 45 45 ILE CB C 13 38.536 0.150 . . . . . B 145 ILE CB . 25791 1 1373 . 2 2 45 45 ILE CG1 C 13 27.375 0.150 . . . . . B 145 ILE CG1 . 25791 1 1374 . 2 2 45 45 ILE CG2 C 13 17.618 0.150 . . . . . B 145 ILE CG2 . 25791 1 1375 . 2 2 45 45 ILE CD1 C 13 12.830 0.150 . . . . . B 145 ILE CD1 . 25791 1 1376 . 2 2 45 45 ILE N N 15 124.362 0.150 . . . . . B 145 ILE N . 25791 1 1377 . 2 2 46 46 THR H H 1 8.222 0.015 . . . . . B 146 THR H . 25791 1 1378 . 2 2 46 46 THR HA H 1 4.351 0.015 . . . . . B 146 THR HA . 25791 1 1379 . 2 2 46 46 THR HB H 1 4.202 0.015 . . . . . B 146 THR HB . 25791 1 1380 . 2 2 46 46 THR HG21 H 1 1.188 0.015 . . . . . B 146 THR QG2 . 25791 1 1381 . 2 2 46 46 THR HG22 H 1 1.188 0.015 . . . . . B 146 THR QG2 . 25791 1 1382 . 2 2 46 46 THR HG23 H 1 1.188 0.015 . . . . . B 146 THR QG2 . 25791 1 1383 . 2 2 46 46 THR C C 13 174.437 0.150 . . . . . B 146 THR C . 25791 1 1384 . 2 2 46 46 THR CA C 13 61.822 0.150 . . . . . B 146 THR CA . 25791 1 1385 . 2 2 46 46 THR CB C 13 69.818 0.150 . . . . . B 146 THR CB . 25791 1 1386 . 2 2 46 46 THR CG2 C 13 21.585 0.150 . . . . . B 146 THR CG2 . 25791 1 1387 . 2 2 46 46 THR N N 15 118.503 0.150 . . . . . B 146 THR N . 25791 1 1388 . 2 2 47 47 GLU H H 1 8.383 0.015 . . . . . B 147 GLU H . 25791 1 1389 . 2 2 47 47 GLU HA H 1 4.317 0.015 . . . . . B 147 GLU HA . 25791 1 1390 . 2 2 47 47 GLU HB2 H 1 2.066 0.015 . . . . . B 147 GLU HB2 . 25791 1 1391 . 2 2 47 47 GLU HB3 H 1 1.969 0.015 . . . . . B 147 GLU HB3 . 25791 1 1392 . 2 2 47 47 GLU HG2 H 1 2.269 0.015 . . . . . B 147 GLU QG . 25791 1 1393 . 2 2 47 47 GLU HG3 H 1 2.269 0.015 . . . . . B 147 GLU QG . 25791 1 1394 . 2 2 47 47 GLU C C 13 176.830 0.150 . . . . . B 147 GLU C . 25791 1 1395 . 2 2 47 47 GLU CA C 13 56.859 0.150 . . . . . B 147 GLU CA . 25791 1 1396 . 2 2 47 47 GLU CB C 13 30.408 0.150 . . . . . B 147 GLU CB . 25791 1 1397 . 2 2 47 47 GLU CG C 13 36.256 0.150 . . . . . B 147 GLU CG . 25791 1 1398 . 2 2 47 47 GLU N N 15 123.636 0.150 . . . . . B 147 GLU N . 25791 1 1399 . 2 2 48 48 GLY H H 1 8.458 0.015 . . . . . B 148 GLY H . 25791 1 1400 . 2 2 48 48 GLY HA2 H 1 3.979 0.015 . . . . . B 148 GLY QA . 25791 1 1401 . 2 2 48 48 GLY HA3 H 1 3.979 0.015 . . . . . B 148 GLY QA . 25791 1 1402 . 2 2 48 48 GLY C C 13 174.220 0.150 . . . . . B 148 GLY C . 25791 1 1403 . 2 2 48 48 GLY CA C 13 45.417 0.150 . . . . . B 148 GLY CA . 25791 1 1404 . 2 2 48 48 GLY N N 15 110.238 0.150 . . . . . B 148 GLY N . 25791 1 1405 . 2 2 49 49 VAL H H 1 8.001 0.015 . . . . . B 149 VAL H . 25791 1 1406 . 2 2 49 49 VAL HA H 1 4.172 0.015 . . . . . B 149 VAL HA . 25791 1 1407 . 2 2 49 49 VAL HB H 1 2.132 0.015 . . . . . B 149 VAL HB . 25791 1 1408 . 2 2 49 49 VAL HG11 H 1 0.936 0.015 . . . . . B 149 VAL QG1 . 25791 1 1409 . 2 2 49 49 VAL HG12 H 1 0.936 0.015 . . . . . B 149 VAL QG1 . 25791 1 1410 . 2 2 49 49 VAL HG13 H 1 0.936 0.015 . . . . . B 149 VAL QG1 . 25791 1 1411 . 2 2 49 49 VAL HG21 H 1 0.934 0.015 . . . . . B 149 VAL QG2 . 25791 1 1412 . 2 2 49 49 VAL HG22 H 1 0.934 0.015 . . . . . B 149 VAL QG2 . 25791 1 1413 . 2 2 49 49 VAL HG23 H 1 0.934 0.015 . . . . . B 149 VAL QG2 . 25791 1 1414 . 2 2 49 49 VAL C C 13 176.771 0.150 . . . . . B 149 VAL C . 25791 1 1415 . 2 2 49 49 VAL CA C 13 62.413 0.150 . . . . . B 149 VAL CA . 25791 1 1416 . 2 2 49 49 VAL CB C 13 32.679 0.150 . . . . . B 149 VAL CB . 25791 1 1417 . 2 2 49 49 VAL CG1 C 13 21.159 0.150 . . . . . B 149 VAL CG1 . 25791 1 1418 . 2 2 49 49 VAL CG2 C 13 20.388 0.150 . . . . . B 149 VAL CG2 . 25791 1 1419 . 2 2 49 49 VAL N N 15 118.715 0.150 . . . . . B 149 VAL N . 25791 1 1420 . 2 2 50 50 GLY H H 1 8.482 0.015 . . . . . B 150 GLY H . 25791 1 1421 . 2 2 50 50 GLY HA2 H 1 3.962 0.015 . . . . . B 150 GLY QA . 25791 1 1422 . 2 2 50 50 GLY HA3 H 1 3.962 0.015 . . . . . B 150 GLY QA . 25791 1 1423 . 2 2 50 50 GLY C C 13 174.140 0.150 . . . . . B 150 GLY C . 25791 1 1424 . 2 2 50 50 GLY CA C 13 45.284 0.150 . . . . . B 150 GLY CA . 25791 1 1425 . 2 2 50 50 GLY N N 15 112.192 0.150 . . . . . B 150 GLY N . 25791 1 1426 . 2 2 51 51 GLU H H 1 8.334 0.015 . . . . . B 151 GLU H . 25791 1 1427 . 2 2 51 51 GLU HA H 1 4.289 0.015 . . . . . B 151 GLU HA . 25791 1 1428 . 2 2 51 51 GLU HB2 H 1 2.046 0.015 . . . . . B 151 GLU HB2 . 25791 1 1429 . 2 2 51 51 GLU HB3 H 1 1.936 0.015 . . . . . B 151 GLU HB3 . 25791 1 1430 . 2 2 51 51 GLU HG2 H 1 2.261 0.015 . . . . . B 151 GLU QG . 25791 1 1431 . 2 2 51 51 GLU HG3 H 1 2.261 0.015 . . . . . B 151 GLU QG . 25791 1 1432 . 2 2 51 51 GLU C C 13 176.583 0.150 . . . . . B 151 GLU C . 25791 1 1433 . 2 2 51 51 GLU CA C 13 56.682 0.150 . . . . . B 151 GLU CA . 25791 1 1434 . 2 2 51 51 GLU CB C 13 30.335 0.150 . . . . . B 151 GLU CB . 25791 1 1435 . 2 2 51 51 GLU CG C 13 36.249 0.150 . . . . . B 151 GLU CG . 25791 1 1436 . 2 2 51 51 GLU N N 15 120.887 0.150 . . . . . B 151 GLU N . 25791 1 1437 . 2 2 52 52 LEU H H 1 8.275 0.015 . . . . . B 152 LEU H . 25791 1 1438 . 2 2 52 52 LEU HA H 1 4.392 0.015 . . . . . B 152 LEU HA . 25791 1 1439 . 2 2 52 52 LEU HB2 H 1 1.608 0.015 . . . . . B 152 LEU HB2 . 25791 1 1440 . 2 2 52 52 LEU HB3 H 1 1.669 0.015 . . . . . B 152 LEU HB3 . 25791 1 1441 . 2 2 52 52 LEU HG H 1 1.636 0.015 . . . . . B 152 LEU HG . 25791 1 1442 . 2 2 52 52 LEU HD11 H 1 0.932 0.015 . . . . . B 152 LEU QD1 . 25791 1 1443 . 2 2 52 52 LEU HD12 H 1 0.932 0.015 . . . . . B 152 LEU QD1 . 25791 1 1444 . 2 2 52 52 LEU HD13 H 1 0.932 0.015 . . . . . B 152 LEU QD1 . 25791 1 1445 . 2 2 52 52 LEU HD21 H 1 0.870 0.015 . . . . . B 152 LEU QD2 . 25791 1 1446 . 2 2 52 52 LEU HD22 H 1 0.870 0.015 . . . . . B 152 LEU QD2 . 25791 1 1447 . 2 2 52 52 LEU HD23 H 1 0.870 0.015 . . . . . B 152 LEU QD2 . 25791 1 1448 . 2 2 52 52 LEU C C 13 177.319 0.150 . . . . . B 152 LEU C . 25791 1 1449 . 2 2 52 52 LEU CA C 13 55.258 0.150 . . . . . B 152 LEU CA . 25791 1 1450 . 2 2 52 52 LEU CB C 13 42.403 0.150 . . . . . B 152 LEU CB . 25791 1 1451 . 2 2 52 52 LEU CG C 13 27.015 0.150 . . . . . B 152 LEU CG . 25791 1 1452 . 2 2 52 52 LEU CD1 C 13 24.840 0.150 . . . . . B 152 LEU CD1 . 25791 1 1453 . 2 2 52 52 LEU CD2 C 13 23.575 0.150 . . . . . B 152 LEU CD2 . 25791 1 1454 . 2 2 52 52 LEU N N 15 122.465 0.150 . . . . . B 152 LEU N . 25791 1 1455 . 2 2 53 53 SER H H 1 8.278 0.015 . . . . . B 153 SER H . 25791 1 1456 . 2 2 53 53 SER HA H 1 4.505 0.015 . . . . . B 153 SER HA . 25791 1 1457 . 2 2 53 53 SER HB2 H 1 3.876 0.015 . . . . . B 153 SER QB . 25791 1 1458 . 2 2 53 53 SER HB3 H 1 3.876 0.015 . . . . . B 153 SER QB . 25791 1 1459 . 2 2 53 53 SER C C 13 174.689 0.150 . . . . . B 153 SER C . 25791 1 1460 . 2 2 53 53 SER CA C 13 58.441 0.150 . . . . . B 153 SER CA . 25791 1 1461 . 2 2 53 53 SER CB C 13 63.758 0.150 . . . . . B 153 SER CB . 25791 1 1462 . 2 2 53 53 SER N N 15 116.221 0.150 . . . . . B 153 SER N . 25791 1 1463 . 2 2 54 54 VAL H H 1 8.112 0.015 . . . . . B 154 VAL H . 25791 1 1464 . 2 2 54 54 VAL HA H 1 4.157 0.015 . . . . . B 154 VAL HA . 25791 1 1465 . 2 2 54 54 VAL HB H 1 2.141 0.015 . . . . . B 154 VAL HB . 25791 1 1466 . 2 2 54 54 VAL HG11 H 1 0.921 0.015 . . . . . B 154 VAL QG1 . 25791 1 1467 . 2 2 54 54 VAL HG12 H 1 0.921 0.015 . . . . . B 154 VAL QG1 . 25791 1 1468 . 2 2 54 54 VAL HG13 H 1 0.921 0.015 . . . . . B 154 VAL QG1 . 25791 1 1469 . 2 2 54 54 VAL HG21 H 1 0.921 0.015 . . . . . B 154 VAL QG2 . 25791 1 1470 . 2 2 54 54 VAL HG22 H 1 0.921 0.015 . . . . . B 154 VAL QG2 . 25791 1 1471 . 2 2 54 54 VAL HG23 H 1 0.921 0.015 . . . . . B 154 VAL QG2 . 25791 1 1472 . 2 2 54 54 VAL C C 13 175.965 0.150 . . . . . B 154 VAL C . 25791 1 1473 . 2 2 54 54 VAL CA C 13 62.857 0.150 . . . . . B 154 VAL CA . 25791 1 1474 . 2 2 54 54 VAL CB C 13 32.656 0.150 . . . . . B 154 VAL CB . 25791 1 1475 . 2 2 54 54 VAL CG1 C 13 21.396 0.150 . . . . . B 154 VAL CG1 . 25791 1 1476 . 2 2 54 54 VAL CG2 C 13 20.564 0.150 . . . . . B 154 VAL CG2 . 25791 1 1477 . 2 2 54 54 VAL N N 15 120.008 0.150 . . . . . B 154 VAL N . 25791 1 1478 . 2 2 55 55 ILE H H 1 7.714 0.015 . . . . . B 155 ILE H . 25791 1 1479 . 2 2 55 55 ILE HA H 1 4.616 0.015 . . . . . B 155 ILE HA . 25791 1 1480 . 2 2 55 55 ILE HB H 1 1.597 0.015 . . . . . B 155 ILE HB . 25791 1 1481 . 2 2 55 55 ILE HG12 H 1 1.180 0.015 . . . . . B 155 ILE HG12 . 25791 1 1482 . 2 2 55 55 ILE HG13 H 1 0.971 0.015 . . . . . B 155 ILE HG13 . 25791 1 1483 . 2 2 55 55 ILE HG21 H 1 0.716 0.015 . . . . . B 155 ILE QG2 . 25791 1 1484 . 2 2 55 55 ILE HG22 H 1 0.716 0.015 . . . . . B 155 ILE QG2 . 25791 1 1485 . 2 2 55 55 ILE HG23 H 1 0.716 0.015 . . . . . B 155 ILE QG2 . 25791 1 1486 . 2 2 55 55 ILE HD11 H 1 0.592 0.015 . . . . . B 155 ILE QD1 . 25791 1 1487 . 2 2 55 55 ILE HD12 H 1 0.592 0.015 . . . . . B 155 ILE QD1 . 25791 1 1488 . 2 2 55 55 ILE HD13 H 1 0.592 0.015 . . . . . B 155 ILE QD1 . 25791 1 1489 . 2 2 55 55 ILE C C 13 174.463 0.150 . . . . . B 155 ILE C . 25791 1 1490 . 2 2 55 55 ILE CA C 13 58.594 0.150 . . . . . B 155 ILE CA . 25791 1 1491 . 2 2 55 55 ILE CB C 13 42.045 0.150 . . . . . B 155 ILE CB . 25791 1 1492 . 2 2 55 55 ILE CG1 C 13 25.656 0.150 . . . . . B 155 ILE CG1 . 25791 1 1493 . 2 2 55 55 ILE CG2 C 13 19.943 0.150 . . . . . B 155 ILE CG2 . 25791 1 1494 . 2 2 55 55 ILE CD1 C 13 13.927 0.150 . . . . . B 155 ILE CD1 . 25791 1 1495 . 2 2 55 55 ILE N N 15 113.532 0.150 . . . . . B 155 ILE N . 25791 1 1496 . 2 2 56 56 ASP H H 1 8.279 0.015 . . . . . B 156 ASP H . 25791 1 1497 . 2 2 56 56 ASP HA H 1 5.180 0.015 . . . . . B 156 ASP HA . 25791 1 1498 . 2 2 56 56 ASP HB2 H 1 2.989 0.015 . . . . . B 156 ASP HB2 . 25791 1 1499 . 2 2 56 56 ASP HB3 H 1 2.564 0.015 . . . . . B 156 ASP HB3 . 25791 1 1500 . 2 2 56 56 ASP CA C 13 50.735 0.150 . . . . . B 156 ASP CA . 25791 1 1501 . 2 2 56 56 ASP CB C 13 41.858 0.150 . . . . . B 156 ASP CB . 25791 1 1502 . 2 2 56 56 ASP N N 15 122.326 0.150 . . . . . B 156 ASP N . 25791 1 1503 . 2 2 57 57 PRO HA H 1 4.266 0.015 . . . . . B 157 PRO HA . 25791 1 1504 . 2 2 57 57 PRO HB2 H 1 2.343 0.015 . . . . . B 157 PRO HB2 . 25791 1 1505 . 2 2 57 57 PRO HB3 H 1 2.090 0.015 . . . . . B 157 PRO HB3 . 25791 1 1506 . 2 2 57 57 PRO HG2 H 1 2.203 0.015 . . . . . B 157 PRO HG2 . 25791 1 1507 . 2 2 57 57 PRO HG3 H 1 2.028 0.015 . . . . . B 157 PRO HG3 . 25791 1 1508 . 2 2 57 57 PRO HD2 H 1 4.004 0.015 . . . . . B 157 PRO HD2 . 25791 1 1509 . 2 2 57 57 PRO HD3 H 1 4.271 0.015 . . . . . B 157 PRO HD3 . 25791 1 1510 . 2 2 57 57 PRO C C 13 179.313 0.150 . . . . . B 157 PRO C . 25791 1 1511 . 2 2 57 57 PRO CA C 13 64.869 0.150 . . . . . B 157 PRO CA . 25791 1 1512 . 2 2 57 57 PRO CB C 13 32.304 0.150 . . . . . B 157 PRO CB . 25791 1 1513 . 2 2 57 57 PRO CG C 13 27.401 0.150 . . . . . B 157 PRO CG . 25791 1 1514 . 2 2 57 57 PRO CD C 13 51.323 0.150 . . . . . B 157 PRO CD . 25791 1 1515 . 2 2 58 58 GLU H H 1 8.075 0.015 . . . . . B 158 GLU H . 25791 1 1516 . 2 2 58 58 GLU HA H 1 4.210 0.015 . . . . . B 158 GLU HA . 25791 1 1517 . 2 2 58 58 GLU HB2 H 1 2.132 0.015 . . . . . B 158 GLU HB2 . 25791 1 1518 . 2 2 58 58 GLU HB3 H 1 2.038 0.015 . . . . . B 158 GLU HB3 . 25791 1 1519 . 2 2 58 58 GLU HG2 H 1 2.363 0.015 . . . . . B 158 GLU HG2 . 25791 1 1520 . 2 2 58 58 GLU HG3 H 1 2.244 0.015 . . . . . B 158 GLU HG3 . 25791 1 1521 . 2 2 58 58 GLU C C 13 179.771 0.150 . . . . . B 158 GLU C . 25791 1 1522 . 2 2 58 58 GLU CA C 13 59.564 0.150 . . . . . B 158 GLU CA . 25791 1 1523 . 2 2 58 58 GLU CB C 13 29.376 0.150 . . . . . B 158 GLU CB . 25791 1 1524 . 2 2 58 58 GLU CG C 13 36.661 0.150 . . . . . B 158 GLU CG . 25791 1 1525 . 2 2 58 58 GLU N N 15 120.031 0.150 . . . . . B 158 GLU N . 25791 1 1526 . 2 2 59 59 VAL H H 1 7.852 0.015 . . . . . B 159 VAL H . 25791 1 1527 . 2 2 59 59 VAL HA H 1 3.673 0.015 . . . . . B 159 VAL HA . 25791 1 1528 . 2 2 59 59 VAL HB H 1 2.102 0.015 . . . . . B 159 VAL HB . 25791 1 1529 . 2 2 59 59 VAL HG11 H 1 0.797 0.015 . . . . . B 159 VAL QG1 . 25791 1 1530 . 2 2 59 59 VAL HG12 H 1 0.797 0.015 . . . . . B 159 VAL QG1 . 25791 1 1531 . 2 2 59 59 VAL HG13 H 1 0.797 0.015 . . . . . B 159 VAL QG1 . 25791 1 1532 . 2 2 59 59 VAL HG21 H 1 0.993 0.015 . . . . . B 159 VAL QG2 . 25791 1 1533 . 2 2 59 59 VAL HG22 H 1 0.993 0.015 . . . . . B 159 VAL QG2 . 25791 1 1534 . 2 2 59 59 VAL HG23 H 1 0.993 0.015 . . . . . B 159 VAL QG2 . 25791 1 1535 . 2 2 59 59 VAL C C 13 178.802 0.150 . . . . . B 159 VAL C . 25791 1 1536 . 2 2 59 59 VAL CA C 13 66.218 0.150 . . . . . B 159 VAL CA . 25791 1 1537 . 2 2 59 59 VAL CB C 13 31.924 0.150 . . . . . B 159 VAL CB . 25791 1 1538 . 2 2 59 59 VAL CG1 C 13 22.709 0.150 . . . . . B 159 VAL CG1 . 25791 1 1539 . 2 2 59 59 VAL CG2 C 13 23.004 0.150 . . . . . B 159 VAL CG2 . 25791 1 1540 . 2 2 59 59 VAL N N 15 122.470 0.150 . . . . . B 159 VAL N . 25791 1 1541 . 2 2 60 60 ALA H H 1 8.833 0.015 . . . . . B 160 ALA H . 25791 1 1542 . 2 2 60 60 ALA HA H 1 4.180 0.015 . . . . . B 160 ALA HA . 25791 1 1543 . 2 2 60 60 ALA HB1 H 1 1.434 0.015 . . . . . B 160 ALA QB . 25791 1 1544 . 2 2 60 60 ALA HB2 H 1 1.434 0.015 . . . . . B 160 ALA QB . 25791 1 1545 . 2 2 60 60 ALA HB3 H 1 1.434 0.015 . . . . . B 160 ALA QB . 25791 1 1546 . 2 2 60 60 ALA C C 13 180.788 0.150 . . . . . B 160 ALA C . 25791 1 1547 . 2 2 60 60 ALA CA C 13 56.681 0.150 . . . . . B 160 ALA CA . 25791 1 1548 . 2 2 60 60 ALA CB C 13 19.098 0.150 . . . . . B 160 ALA CB . 25791 1 1549 . 2 2 60 60 ALA N N 15 120.796 0.150 . . . . . B 160 ALA N . 25791 1 1550 . 2 2 61 61 GLN H H 1 8.342 0.015 . . . . . B 161 GLN H . 25791 1 1551 . 2 2 61 61 GLN HA H 1 4.179 0.015 . . . . . B 161 GLN HA . 25791 1 1552 . 2 2 61 61 GLN HB2 H 1 2.248 0.015 . . . . . B 161 GLN QB . 25791 1 1553 . 2 2 61 61 GLN HB3 H 1 2.248 0.015 . . . . . B 161 GLN QB . 25791 1 1554 . 2 2 61 61 GLN HG2 H 1 2.524 0.015 . . . . . B 161 GLN QG . 25791 1 1555 . 2 2 61 61 GLN HG3 H 1 2.524 0.015 . . . . . B 161 GLN QG . 25791 1 1556 . 2 2 61 61 GLN C C 13 178.346 0.150 . . . . . B 161 GLN C . 25791 1 1557 . 2 2 61 61 GLN CA C 13 58.927 0.150 . . . . . B 161 GLN CA . 25791 1 1558 . 2 2 61 61 GLN CB C 13 27.878 0.150 . . . . . B 161 GLN CB . 25791 1 1559 . 2 2 61 61 GLN CG C 13 33.557 0.150 . . . . . B 161 GLN CG . 25791 1 1560 . 2 2 61 61 GLN N N 15 121.157 0.150 . . . . . B 161 GLN N . 25791 1 1561 . 2 2 62 62 LYS H H 1 8.144 0.015 . . . . . B 162 LYS H . 25791 1 1562 . 2 2 62 62 LYS HA H 1 4.161 0.015 . . . . . B 162 LYS HA . 25791 1 1563 . 2 2 62 62 LYS HB2 H 1 2.010 0.015 . . . . . B 162 LYS QB . 25791 1 1564 . 2 2 62 62 LYS HB3 H 1 2.010 0.015 . . . . . B 162 LYS QB . 25791 1 1565 . 2 2 62 62 LYS HG2 H 1 1.602 0.015 . . . . . B 162 LYS HG2 . 25791 1 1566 . 2 2 62 62 LYS HG3 H 1 1.511 0.015 . . . . . B 162 LYS HG3 . 25791 1 1567 . 2 2 62 62 LYS HD2 H 1 1.679 0.015 . . . . . B 162 LYS QD . 25791 1 1568 . 2 2 62 62 LYS HD3 H 1 1.679 0.015 . . . . . B 162 LYS QD . 25791 1 1569 . 2 2 62 62 LYS HE2 H 1 2.990 0.015 . . . . . B 162 LYS QE . 25791 1 1570 . 2 2 62 62 LYS HE3 H 1 2.990 0.015 . . . . . B 162 LYS QE . 25791 1 1571 . 2 2 62 62 LYS C C 13 179.270 0.150 . . . . . B 162 LYS C . 25791 1 1572 . 2 2 62 62 LYS CA C 13 59.552 0.150 . . . . . B 162 LYS CA . 25791 1 1573 . 2 2 62 62 LYS CB C 13 32.429 0.150 . . . . . B 162 LYS CB . 25791 1 1574 . 2 2 62 62 LYS CG C 13 25.183 0.150 . . . . . B 162 LYS CG . 25791 1 1575 . 2 2 62 62 LYS CD C 13 29.268 0.150 . . . . . B 162 LYS CD . 25791 1 1576 . 2 2 62 62 LYS CE C 13 42.166 0.150 . . . . . B 162 LYS CE . 25791 1 1577 . 2 2 62 62 LYS N N 15 122.816 0.150 . . . . . B 162 LYS N . 25791 1 1578 . 2 2 63 63 ALA H H 1 8.830 0.015 . . . . . B 163 ALA H . 25791 1 1579 . 2 2 63 63 ALA HA H 1 4.423 0.015 . . . . . B 163 ALA HA . 25791 1 1580 . 2 2 63 63 ALA HB1 H 1 1.551 0.015 . . . . . B 163 ALA QB . 25791 1 1581 . 2 2 63 63 ALA HB2 H 1 1.551 0.015 . . . . . B 163 ALA QB . 25791 1 1582 . 2 2 63 63 ALA HB3 H 1 1.551 0.015 . . . . . B 163 ALA QB . 25791 1 1583 . 2 2 63 63 ALA C C 13 178.717 0.150 . . . . . B 163 ALA C . 25791 1 1584 . 2 2 63 63 ALA CA C 13 54.552 0.150 . . . . . B 163 ALA CA . 25791 1 1585 . 2 2 63 63 ALA CB C 13 17.941 0.150 . . . . . B 163 ALA CB . 25791 1 1586 . 2 2 63 63 ALA N N 15 119.330 0.150 . . . . . B 163 ALA N . 25791 1 1587 . 2 2 64 64 CYS H H 1 8.043 0.015 . . . . . B 164 CYS H . 25791 1 1588 . 2 2 64 64 CYS HA H 1 3.773 0.015 . . . . . B 164 CYS HA . 25791 1 1589 . 2 2 64 64 CYS HB2 H 1 2.315 0.015 . . . . . B 164 CYS HB2 . 25791 1 1590 . 2 2 64 64 CYS HB3 H 1 3.298 0.015 . . . . . B 164 CYS HB3 . 25791 1 1591 . 2 2 64 64 CYS C C 13 175.008 0.150 . . . . . B 164 CYS C . 25791 1 1592 . 2 2 64 64 CYS CA C 13 62.463 0.150 . . . . . B 164 CYS CA . 25791 1 1593 . 2 2 64 64 CYS CB C 13 25.661 0.150 . . . . . B 164 CYS CB . 25791 1 1594 . 2 2 64 64 CYS N N 15 119.513 0.150 . . . . . B 164 CYS N . 25791 1 1595 . 2 2 65 65 GLN H H 1 7.901 0.015 . . . . . B 165 GLN H . 25791 1 1596 . 2 2 65 65 GLN HA H 1 4.014 0.015 . . . . . B 165 GLN HA . 25791 1 1597 . 2 2 65 65 GLN HB2 H 1 2.289 0.015 . . . . . B 165 GLN QB . 25791 1 1598 . 2 2 65 65 GLN HB3 H 1 2.289 0.015 . . . . . B 165 GLN QB . 25791 1 1599 . 2 2 65 65 GLN HG2 H 1 2.539 0.015 . . . . . B 165 GLN HG2 . 25791 1 1600 . 2 2 65 65 GLN HG3 H 1 2.476 0.015 . . . . . B 165 GLN HG3 . 25791 1 1601 . 2 2 65 65 GLN C C 13 178.682 0.150 . . . . . B 165 GLN C . 25791 1 1602 . 2 2 65 65 GLN CA C 13 59.058 0.150 . . . . . B 165 GLN CA . 25791 1 1603 . 2 2 65 65 GLN CB C 13 27.918 0.150 . . . . . B 165 GLN CB . 25791 1 1604 . 2 2 65 65 GLN CG C 13 33.651 0.150 . . . . . B 165 GLN CG . 25791 1 1605 . 2 2 65 65 GLN N N 15 117.917 0.150 . . . . . B 165 GLN N . 25791 1 1606 . 2 2 66 66 GLU H H 1 8.112 0.015 . . . . . B 166 GLU H . 25791 1 1607 . 2 2 66 66 GLU HA H 1 4.083 0.015 . . . . . B 166 GLU HA . 25791 1 1608 . 2 2 66 66 GLU HB2 H 1 2.013 0.015 . . . . . B 166 GLU HB2 . 25791 1 1609 . 2 2 66 66 GLU HB3 H 1 2.290 0.015 . . . . . B 166 GLU HB3 . 25791 1 1610 . 2 2 66 66 GLU HG2 H 1 2.413 0.015 . . . . . B 166 GLU QG . 25791 1 1611 . 2 2 66 66 GLU HG3 H 1 2.413 0.015 . . . . . B 166 GLU QG . 25791 1 1612 . 2 2 66 66 GLU C C 13 179.496 0.150 . . . . . B 166 GLU C . 25791 1 1613 . 2 2 66 66 GLU CA C 13 59.604 0.150 . . . . . B 166 GLU CA . 25791 1 1614 . 2 2 66 66 GLU CB C 13 29.644 0.150 . . . . . B 166 GLU CB . 25791 1 1615 . 2 2 66 66 GLU CG C 13 36.181 0.150 . . . . . B 166 GLU CG . 25791 1 1616 . 2 2 66 66 GLU N N 15 118.189 0.150 . . . . . B 166 GLU N . 25791 1 1617 . 2 2 67 67 VAL H H 1 8.034 0.015 . . . . . B 167 VAL H . 25791 1 1618 . 2 2 67 67 VAL HA H 1 3.694 0.015 . . . . . B 167 VAL HA . 25791 1 1619 . 2 2 67 67 VAL HB H 1 2.404 0.015 . . . . . B 167 VAL HB . 25791 1 1620 . 2 2 67 67 VAL HG11 H 1 0.986 0.015 . . . . . B 167 VAL QG1 . 25791 1 1621 . 2 2 67 67 VAL HG12 H 1 0.986 0.015 . . . . . B 167 VAL QG1 . 25791 1 1622 . 2 2 67 67 VAL HG13 H 1 0.986 0.015 . . . . . B 167 VAL QG1 . 25791 1 1623 . 2 2 67 67 VAL HG21 H 1 1.211 0.015 . . . . . B 167 VAL QG2 . 25791 1 1624 . 2 2 67 67 VAL HG22 H 1 1.211 0.015 . . . . . B 167 VAL QG2 . 25791 1 1625 . 2 2 67 67 VAL HG23 H 1 1.211 0.015 . . . . . B 167 VAL QG2 . 25791 1 1626 . 2 2 67 67 VAL C C 13 178.102 0.150 . . . . . B 167 VAL C . 25791 1 1627 . 2 2 67 67 VAL CA C 13 66.710 0.150 . . . . . B 167 VAL CA . 25791 1 1628 . 2 2 67 67 VAL CB C 13 31.932 0.150 . . . . . B 167 VAL CB . 25791 1 1629 . 2 2 67 67 VAL CG1 C 13 21.199 0.150 . . . . . B 167 VAL CG1 . 25791 1 1630 . 2 2 67 67 VAL CG2 C 13 23.162 0.150 . . . . . B 167 VAL CG2 . 25791 1 1631 . 2 2 67 67 VAL N N 15 119.109 0.150 . . . . . B 167 VAL N . 25791 1 1632 . 2 2 68 68 LEU H H 1 8.130 0.015 . . . . . B 168 LEU H . 25791 1 1633 . 2 2 68 68 LEU HA H 1 3.851 0.015 . . . . . B 168 LEU HA . 25791 1 1634 . 2 2 68 68 LEU HB2 H 1 1.889 0.015 . . . . . B 168 LEU HB2 . 25791 1 1635 . 2 2 68 68 LEU HB3 H 1 1.240 0.015 . . . . . B 168 LEU HB3 . 25791 1 1636 . 2 2 68 68 LEU HG H 1 1.797 0.015 . . . . . B 168 LEU HG . 25791 1 1637 . 2 2 68 68 LEU HD11 H 1 0.849 0.015 . . . . . B 168 LEU QD1 . 25791 1 1638 . 2 2 68 68 LEU HD12 H 1 0.849 0.015 . . . . . B 168 LEU QD1 . 25791 1 1639 . 2 2 68 68 LEU HD13 H 1 0.849 0.015 . . . . . B 168 LEU QD1 . 25791 1 1640 . 2 2 68 68 LEU HD21 H 1 0.502 0.015 . . . . . B 168 LEU QD2 . 25791 1 1641 . 2 2 68 68 LEU HD22 H 1 0.502 0.015 . . . . . B 168 LEU QD2 . 25791 1 1642 . 2 2 68 68 LEU HD23 H 1 0.502 0.015 . . . . . B 168 LEU QD2 . 25791 1 1643 . 2 2 68 68 LEU C C 13 176.911 0.150 . . . . . B 168 LEU C . 25791 1 1644 . 2 2 68 68 LEU CA C 13 57.652 0.150 . . . . . B 168 LEU CA . 25791 1 1645 . 2 2 68 68 LEU CB C 13 41.583 0.150 . . . . . B 168 LEU CB . 25791 1 1646 . 2 2 68 68 LEU CG C 13 27.191 0.150 . . . . . B 168 LEU CG . 25791 1 1647 . 2 2 68 68 LEU CD1 C 13 26.145 0.150 . . . . . B 168 LEU CD1 . 25791 1 1648 . 2 2 68 68 LEU CD2 C 13 22.778 0.150 . . . . . B 168 LEU CD2 . 25791 1 1649 . 2 2 68 68 LEU N N 15 118.941 0.150 . . . . . B 168 LEU N . 25791 1 1650 . 2 2 69 69 GLU H H 1 8.234 0.015 . . . . . B 169 GLU H . 25791 1 1651 . 2 2 69 69 GLU HA H 1 3.982 0.015 . . . . . B 169 GLU HA . 25791 1 1652 . 2 2 69 69 GLU HB2 H 1 2.133 0.015 . . . . . B 169 GLU HB2 . 25791 1 1653 . 2 2 69 69 GLU HB3 H 1 2.054 0.015 . . . . . B 169 GLU HB3 . 25791 1 1654 . 2 2 69 69 GLU HG2 H 1 2.414 0.015 . . . . . B 169 GLU HG2 . 25791 1 1655 . 2 2 69 69 GLU HG3 H 1 2.319 0.015 . . . . . B 169 GLU HG3 . 25791 1 1656 . 2 2 69 69 GLU C C 13 179.081 0.150 . . . . . B 169 GLU C . 25791 1 1657 . 2 2 69 69 GLU CA C 13 59.148 0.150 . . . . . B 169 GLU CA . 25791 1 1658 . 2 2 69 69 GLU CB C 13 29.437 0.150 . . . . . B 169 GLU CB . 25791 1 1659 . 2 2 69 69 GLU CG C 13 36.363 0.150 . . . . . B 169 GLU CG . 25791 1 1660 . 2 2 69 69 GLU N N 15 118.285 0.150 . . . . . B 169 GLU N . 25791 1 1661 . 2 2 70 70 LYS H H 1 7.723 0.015 . . . . . B 170 LYS H . 25791 1 1662 . 2 2 70 70 LYS HA H 1 4.085 0.015 . . . . . B 170 LYS HA . 25791 1 1663 . 2 2 70 70 LYS HB2 H 1 1.928 0.015 . . . . . B 170 LYS QB . 25791 1 1664 . 2 2 70 70 LYS HB3 H 1 1.928 0.015 . . . . . B 170 LYS QB . 25791 1 1665 . 2 2 70 70 LYS HG2 H 1 1.608 0.015 . . . . . B 170 LYS HG2 . 25791 1 1666 . 2 2 70 70 LYS HG3 H 1 1.464 0.015 . . . . . B 170 LYS HG3 . 25791 1 1667 . 2 2 70 70 LYS HD2 H 1 1.673 0.015 . . . . . B 170 LYS QD . 25791 1 1668 . 2 2 70 70 LYS HD3 H 1 1.673 0.015 . . . . . B 170 LYS QD . 25791 1 1669 . 2 2 70 70 LYS HE2 H 1 2.322 0.015 . . . . . B 170 LYS QE . 25791 1 1670 . 2 2 70 70 LYS HE3 H 1 2.322 0.015 . . . . . B 170 LYS QE . 25791 1 1671 . 2 2 70 70 LYS C C 13 179.435 0.150 . . . . . B 170 LYS C . 25791 1 1672 . 2 2 70 70 LYS CA C 13 59.159 0.150 . . . . . B 170 LYS CA . 25791 1 1673 . 2 2 70 70 LYS CB C 13 32.394 0.150 . . . . . B 170 LYS CB . 25791 1 1674 . 2 2 70 70 LYS CG C 13 25.265 0.150 . . . . . B 170 LYS CG . 25791 1 1675 . 2 2 70 70 LYS CD C 13 29.252 0.150 . . . . . B 170 LYS CD . 25791 1 1676 . 2 2 70 70 LYS CE C 13 45.309 0.150 . . . . . B 170 LYS CE . 25791 1 1677 . 2 2 70 70 LYS N N 15 118.252 0.150 . . . . . B 170 LYS N . 25791 1 1678 . 2 2 71 71 VAL H H 1 8.027 0.015 . . . . . B 171 VAL H . 25791 1 1679 . 2 2 71 71 VAL HA H 1 3.934 0.015 . . . . . B 171 VAL HA . 25791 1 1680 . 2 2 71 71 VAL HB H 1 2.080 0.015 . . . . . B 171 VAL HB . 25791 1 1681 . 2 2 71 71 VAL HG11 H 1 0.916 0.015 . . . . . B 171 VAL QQG . 25791 1 1682 . 2 2 71 71 VAL HG12 H 1 0.916 0.015 . . . . . B 171 VAL QQG . 25791 1 1683 . 2 2 71 71 VAL HG13 H 1 0.916 0.015 . . . . . B 171 VAL QQG . 25791 1 1684 . 2 2 71 71 VAL HG21 H 1 0.916 0.015 . . . . . B 171 VAL QQG . 25791 1 1685 . 2 2 71 71 VAL HG22 H 1 0.916 0.015 . . . . . B 171 VAL QQG . 25791 1 1686 . 2 2 71 71 VAL HG23 H 1 0.916 0.015 . . . . . B 171 VAL QQG . 25791 1 1687 . 2 2 71 71 VAL C C 13 177.792 0.150 . . . . . B 171 VAL C . 25791 1 1688 . 2 2 71 71 VAL CA C 13 65.050 0.150 . . . . . B 171 VAL CA . 25791 1 1689 . 2 2 71 71 VAL CB C 13 31.181 0.150 . . . . . B 171 VAL CB . 25791 1 1690 . 2 2 71 71 VAL CG1 C 13 21.643 0.150 . . . . . B 171 VAL CG1 . 25791 1 1691 . 2 2 71 71 VAL CG2 C 13 21.203 0.150 . . . . . B 171 VAL CG2 . 25791 1 1692 . 2 2 71 71 VAL N N 15 117.756 0.150 . . . . . B 171 VAL N . 25791 1 1693 . 2 2 72 72 LYS H H 1 7.853 0.015 . . . . . B 172 LYS H . 25791 1 1694 . 2 2 72 72 LYS HA H 1 4.166 0.015 . . . . . B 172 LYS HA . 25791 1 1695 . 2 2 72 72 LYS HB2 H 1 1.847 0.015 . . . . . B 172 LYS QB . 25791 1 1696 . 2 2 72 72 LYS HB3 H 1 1.847 0.015 . . . . . B 172 LYS QB . 25791 1 1697 . 2 2 72 72 LYS HG2 H 1 1.542 0.015 . . . . . B 172 LYS HG2 . 25791 1 1698 . 2 2 72 72 LYS HG3 H 1 1.447 0.015 . . . . . B 172 LYS HG3 . 25791 1 1699 . 2 2 72 72 LYS HD2 H 1 1.681 0.015 . . . . . B 172 LYS QD . 25791 1 1700 . 2 2 72 72 LYS HD3 H 1 1.681 0.015 . . . . . B 172 LYS QD . 25791 1 1701 . 2 2 72 72 LYS HE2 H 1 2.790 0.015 . . . . . B 172 LYS HE2 . 25791 1 1702 . 2 2 72 72 LYS HE3 H 1 2.955 0.015 . . . . . B 172 LYS HE3 . 25791 1 1703 . 2 2 72 72 LYS C C 13 178.995 0.150 . . . . . B 172 LYS C . 25791 1 1704 . 2 2 72 72 LYS CA C 13 59.173 0.150 . . . . . B 172 LYS CA . 25791 1 1705 . 2 2 72 72 LYS CB C 13 32.713 0.150 . . . . . B 172 LYS CB . 25791 1 1706 . 2 2 72 72 LYS CG C 13 25.943 0.150 . . . . . B 172 LYS CG . 25791 1 1707 . 2 2 72 72 LYS CD C 13 29.405 0.150 . . . . . B 172 LYS CD . 25791 1 1708 . 2 2 72 72 LYS CE C 13 42.282 0.150 . . . . . B 172 LYS CE . 25791 1 1709 . 2 2 72 72 LYS N N 15 121.728 0.150 . . . . . B 172 LYS N . 25791 1 1710 . 2 2 73 73 LEU H H 1 7.611 0.015 . . . . . B 173 LEU H . 25791 1 1711 . 2 2 73 73 LEU HA H 1 4.196 0.015 . . . . . B 173 LEU HA . 25791 1 1712 . 2 2 73 73 LEU HB2 H 1 1.799 0.015 . . . . . B 173 LEU HB2 . 25791 1 1713 . 2 2 73 73 LEU HB3 H 1 1.627 0.015 . . . . . B 173 LEU HB3 . 25791 1 1714 . 2 2 73 73 LEU HG H 1 1.743 0.015 . . . . . B 173 LEU HG . 25791 1 1715 . 2 2 73 73 LEU HD11 H 1 0.925 0.015 . . . . . B 173 LEU QD1 . 25791 1 1716 . 2 2 73 73 LEU HD12 H 1 0.925 0.015 . . . . . B 173 LEU QD1 . 25791 1 1717 . 2 2 73 73 LEU HD13 H 1 0.925 0.015 . . . . . B 173 LEU QD1 . 25791 1 1718 . 2 2 73 73 LEU HD21 H 1 0.880 0.015 . . . . . B 173 LEU QD2 . 25791 1 1719 . 2 2 73 73 LEU HD22 H 1 0.880 0.015 . . . . . B 173 LEU QD2 . 25791 1 1720 . 2 2 73 73 LEU HD23 H 1 0.880 0.015 . . . . . B 173 LEU QD2 . 25791 1 1721 . 2 2 73 73 LEU C C 13 178.778 0.150 . . . . . B 173 LEU C . 25791 1 1722 . 2 2 73 73 LEU CA C 13 56.652 0.150 . . . . . B 173 LEU CA . 25791 1 1723 . 2 2 73 73 LEU CB C 13 42.020 0.150 . . . . . B 173 LEU CB . 25791 1 1724 . 2 2 73 73 LEU CG C 13 26.892 0.150 . . . . . B 173 LEU CG . 25791 1 1725 . 2 2 73 73 LEU CD1 C 13 24.905 0.150 . . . . . B 173 LEU CD1 . 25791 1 1726 . 2 2 73 73 LEU CD2 C 13 23.367 0.150 . . . . . B 173 LEU CD2 . 25791 1 1727 . 2 2 73 73 LEU N N 15 119.507 0.150 . . . . . B 173 LEU N . 25791 1 1728 . 2 2 74 74 LEU H H 1 7.717 0.015 . . . . . B 174 LEU H . 25791 1 1729 . 2 2 74 74 LEU HA H 1 4.252 0.015 . . . . . B 174 LEU HA . 25791 1 1730 . 2 2 74 74 LEU HB2 H 1 1.512 0.015 . . . . . B 174 LEU HB2 . 25791 1 1731 . 2 2 74 74 LEU HB3 H 1 1.694 0.015 . . . . . B 174 LEU HB3 . 25791 1 1732 . 2 2 74 74 LEU HG H 1 1.624 0.015 . . . . . B 174 LEU HG . 25791 1 1733 . 2 2 74 74 LEU HD11 H 1 0.886 0.015 . . . . . B 174 LEU QD1 . 25791 1 1734 . 2 2 74 74 LEU HD12 H 1 0.886 0.015 . . . . . B 174 LEU QD1 . 25791 1 1735 . 2 2 74 74 LEU HD13 H 1 0.886 0.015 . . . . . B 174 LEU QD1 . 25791 1 1736 . 2 2 74 74 LEU HD21 H 1 0.831 0.015 . . . . . B 174 LEU QD2 . 25791 1 1737 . 2 2 74 74 LEU HD22 H 1 0.831 0.015 . . . . . B 174 LEU QD2 . 25791 1 1738 . 2 2 74 74 LEU HD23 H 1 0.831 0.015 . . . . . B 174 LEU QD2 . 25791 1 1739 . 2 2 74 74 LEU C C 13 178.319 0.150 . . . . . B 174 LEU C . 25791 1 1740 . 2 2 74 74 LEU CA C 13 56.212 0.150 . . . . . B 174 LEU CA . 25791 1 1741 . 2 2 74 74 LEU CB C 13 42.218 0.150 . . . . . B 174 LEU CB . 25791 1 1742 . 2 2 74 74 LEU CG C 13 26.767 0.150 . . . . . B 174 LEU CG . 25791 1 1743 . 2 2 74 74 LEU CD1 C 13 24.660 0.150 . . . . . B 174 LEU CD1 . 25791 1 1744 . 2 2 74 74 LEU CD2 C 13 23.515 0.150 . . . . . B 174 LEU CD2 . 25791 1 1745 . 2 2 74 74 LEU N N 15 119.951 0.150 . . . . . B 174 LEU N . 25791 1 1746 . 2 2 75 75 HIS H H 1 8.175 0.015 . . . . . B 175 HIS H . 25791 1 1747 . 2 2 75 75 HIS HA H 1 4.670 0.015 . . . . . B 175 HIS HA . 25791 1 1748 . 2 2 75 75 HIS HB2 H 1 3.161 0.015 . . . . . B 175 HIS HB2 . 25791 1 1749 . 2 2 75 75 HIS HB3 H 1 3.298 0.015 . . . . . B 175 HIS HB3 . 25791 1 1750 . 2 2 75 75 HIS HD2 H 1 7.169 0.015 . . . . . B 175 HIS HD2 . 25791 1 1751 . 2 2 75 75 HIS HE1 H 1 8.136 0.015 . . . . . B 175 HIS HE1 . 25791 1 1752 . 2 2 75 75 HIS C C 13 175.935 0.150 . . . . . B 175 HIS C . 25791 1 1753 . 2 2 75 75 HIS CA C 13 56.203 0.150 . . . . . B 175 HIS CA . 25791 1 1754 . 2 2 75 75 HIS CB C 13 29.822 0.150 . . . . . B 175 HIS CB . 25791 1 1755 . 2 2 75 75 HIS CD2 C 13 119.908 0.150 . . . . . B 175 HIS CD2 . 25791 1 1756 . 2 2 75 75 HIS CE1 C 13 137.095 0.150 . . . . . B 175 HIS CE1 . 25791 1 1757 . 2 2 75 75 HIS N N 15 117.753 0.150 . . . . . B 175 HIS N . 25791 1 1758 . 2 2 76 76 GLY H H 1 8.215 0.015 . . . . . B 176 GLY H . 25791 1 1759 . 2 2 76 76 GLY HA2 H 1 4.023 0.015 . . . . . B 176 GLY QA . 25791 1 1760 . 2 2 76 76 GLY HA3 H 1 4.023 0.015 . . . . . B 176 GLY QA . 25791 1 1761 . 2 2 76 76 GLY C C 13 174.726 0.150 . . . . . B 176 GLY C . 25791 1 1762 . 2 2 76 76 GLY CA C 13 45.572 0.150 . . . . . B 176 GLY CA . 25791 1 1763 . 2 2 76 76 GLY N N 15 108.725 0.150 . . . . . B 176 GLY N . 25791 1 1764 . 2 2 77 77 GLY H H 1 8.208 0.015 . . . . . B 177 GLY H . 25791 1 1765 . 2 2 77 77 GLY HA2 H 1 3.996 0.015 . . . . . B 177 GLY QA . 25791 1 1766 . 2 2 77 77 GLY HA3 H 1 3.996 0.015 . . . . . B 177 GLY QA . 25791 1 1767 . 2 2 77 77 GLY C C 13 173.796 0.150 . . . . . B 177 GLY C . 25791 1 1768 . 2 2 77 77 GLY CA C 13 45.272 0.150 . . . . . B 177 GLY CA . 25791 1 1769 . 2 2 77 77 GLY N N 15 108.627 0.150 . . . . . B 177 GLY N . 25791 1 1770 . 2 2 78 78 VAL H H 1 7.934 0.015 . . . . . B 178 VAL H . 25791 1 1771 . 2 2 78 78 VAL HA H 1 4.165 0.015 . . . . . B 178 VAL HA . 25791 1 1772 . 2 2 78 78 VAL HB H 1 2.069 0.015 . . . . . B 178 VAL HB . 25791 1 1773 . 2 2 78 78 VAL HG11 H 1 0.929 0.015 . . . . . B 178 VAL QG1 . 25791 1 1774 . 2 2 78 78 VAL HG12 H 1 0.929 0.015 . . . . . B 178 VAL QG1 . 25791 1 1775 . 2 2 78 78 VAL HG13 H 1 0.929 0.015 . . . . . B 178 VAL QG1 . 25791 1 1776 . 2 2 78 78 VAL HG21 H 1 0.929 0.015 . . . . . B 178 VAL QG2 . 25791 1 1777 . 2 2 78 78 VAL HG22 H 1 0.929 0.015 . . . . . B 178 VAL QG2 . 25791 1 1778 . 2 2 78 78 VAL HG23 H 1 0.929 0.015 . . . . . B 178 VAL QG2 . 25791 1 1779 . 2 2 78 78 VAL C C 13 175.574 0.150 . . . . . B 178 VAL C . 25791 1 1780 . 2 2 78 78 VAL CA C 13 61.974 0.150 . . . . . B 178 VAL CA . 25791 1 1781 . 2 2 78 78 VAL CB C 13 33.061 0.150 . . . . . B 178 VAL CB . 25791 1 1782 . 2 2 78 78 VAL CG1 C 13 21.156 0.150 . . . . . B 178 VAL CG1 . 25791 1 1783 . 2 2 78 78 VAL CG2 C 13 20.345 0.150 . . . . . B 178 VAL CG2 . 25791 1 1784 . 2 2 78 78 VAL N N 15 118.775 0.150 . . . . . B 178 VAL N . 25791 1 1785 . 2 2 79 79 ALA H H 1 8.374 0.015 . . . . . B 179 ALA H . 25791 1 1786 . 2 2 79 79 ALA HA H 1 4.408 0.015 . . . . . B 179 ALA HA . 25791 1 1787 . 2 2 79 79 ALA HB1 H 1 1.370 0.015 . . . . . B 179 ALA QB . 25791 1 1788 . 2 2 79 79 ALA HB2 H 1 1.370 0.015 . . . . . B 179 ALA QB . 25791 1 1789 . 2 2 79 79 ALA HB3 H 1 1.370 0.015 . . . . . B 179 ALA QB . 25791 1 1790 . 2 2 79 79 ALA C C 13 176.610 0.150 . . . . . B 179 ALA C . 25791 1 1791 . 2 2 79 79 ALA CA C 13 52.396 0.150 . . . . . B 179 ALA CA . 25791 1 1792 . 2 2 79 79 ALA CB C 13 19.295 0.150 . . . . . B 179 ALA CB . 25791 1 1793 . 2 2 79 79 ALA N N 15 128.612 0.150 . . . . . B 179 ALA N . 25791 1 1794 . 2 2 80 80 VAL H H 1 7.678 0.015 . . . . . B 180 VAL H . 25791 1 1795 . 2 2 80 80 VAL HA H 1 4.023 0.015 . . . . . B 180 VAL HA . 25791 1 1796 . 2 2 80 80 VAL HB H 1 2.070 0.015 . . . . . B 180 VAL HB . 25791 1 1797 . 2 2 80 80 VAL HG11 H 1 0.865 0.015 . . . . . B 180 VAL QQG . 25791 1 1798 . 2 2 80 80 VAL HG12 H 1 0.865 0.015 . . . . . B 180 VAL QQG . 25791 1 1799 . 2 2 80 80 VAL HG13 H 1 0.865 0.015 . . . . . B 180 VAL QQG . 25791 1 1800 . 2 2 80 80 VAL HG21 H 1 0.865 0.015 . . . . . B 180 VAL QQG . 25791 1 1801 . 2 2 80 80 VAL HG22 H 1 0.865 0.015 . . . . . B 180 VAL QQG . 25791 1 1802 . 2 2 80 80 VAL HG23 H 1 0.865 0.015 . . . . . B 180 VAL QQG . 25791 1 1803 . 2 2 80 80 VAL C C 13 181.061 0.150 . . . . . B 180 VAL C . 25791 1 1804 . 2 2 80 80 VAL CA C 13 63.508 0.150 . . . . . B 180 VAL CA . 25791 1 1805 . 2 2 80 80 VAL CB C 13 33.276 0.150 . . . . . B 180 VAL CB . 25791 1 1806 . 2 2 80 80 VAL CG1 C 13 20.920 0.150 . . . . . B 180 VAL CG1 . 25791 1 1807 . 2 2 80 80 VAL N N 15 123.794 0.150 . . . . . B 180 VAL N . 25791 1 stop_ save_