data_25230 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25230 _Entry.Title ; Solution Structure of the Human FAAP20 UBZ-Ubiquitin Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-16 _Entry.Accession_date 2014-09-16 _Entry.Last_release_date 2016-09-22 _Entry.Original_release_date 2016-09-22 _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 Su Wang . . . . 25230 2 Jessica Wojtaszek . L. . . 25230 3 Pei Zhou . . . . 25230 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' . 25230 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FAAP20 . 25230 'Fanconi Anemia' . 25230 UBZ . 25230 ubiquitin . 25230 zinc-finger . 25230 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25230 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 522 25230 '15N chemical shifts' 122 25230 '1H chemical shifts' 860 25230 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-09-22 2014-09-16 update BMRB 'update entry citation' 25230 1 . . 2014-12-01 2014-09-16 original author 'original release' 25230 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25229 'Human FAAP20 UBZ' 25230 PDB 2MUR 'BMRB Entry Tracking System' 25230 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25230 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25414354 _Citation.Full_citation . _Citation.Title ; Ubiquitin recognition by FAAP20 expands the complex interface beyond the canonical UBZ domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 22 _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 13997 _Citation.Page_last 14005 _Citation.Year 2014 _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 Jessica Wojtaszek . L. . . 25230 1 2 Su Wang . . . . 25230 1 3 Hyungjin Kim . . . . 25230 1 4 Qinglin Wu . . . . 25230 1 5 Alan D'Andrea . D . . 25230 1 6 Pei Zhou . . . . 25230 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25230 _Assembly.ID 1 _Assembly.Name 'Human FAAP20 UBZ-Ubiquitin Complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 UBZ 1 $UBZ A . yes native no no . . . 25230 1 2 Ubiquitin 2 $Ubiquitin B . yes native no no . . . 25230 1 3 'ZINC ION' 3 $entity_ZN C . no native no no . . . 25230 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordinate single . 1 . 1 CYS 11 11 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 25230 1 2 coordinate single . 1 . 1 CYS 14 14 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 25230 1 3 coordinate single . 1 . 1 CYS 34 34 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 25230 1 4 coordinate single . 1 . 1 HIS 30 30 NE2 . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 25230 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBZ _Entity.Sf_category entity _Entity.Sf_framecode UBZ _Entity.Entry_ID 25230 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UBZ _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 ; SHMGAAALRSCPMCQKEFAP RLTQLDVDSHLAQCLAESTE DVTW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '140, G through 180, W' _Entity.Polymer_author_seq_details ; Residues 1-3 represent non-native residues leftover after protease cleavage removal of a affinity tag; Residues 4-44 represent the UBZ domain of FAAP20(140-180). ; _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 44 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment UBZ _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4853.517 _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 . SER . 25230 1 2 . HIS . 25230 1 3 . MET . 25230 1 4 . GLY . 25230 1 5 . ALA . 25230 1 6 . ALA . 25230 1 7 . ALA . 25230 1 8 . LEU . 25230 1 9 . ARG . 25230 1 10 . SER . 25230 1 11 . CYS . 25230 1 12 . PRO . 25230 1 13 . MET . 25230 1 14 . CYS . 25230 1 15 . GLN . 25230 1 16 . LYS . 25230 1 17 . GLU . 25230 1 18 . PHE . 25230 1 19 . ALA . 25230 1 20 . PRO . 25230 1 21 . ARG . 25230 1 22 . LEU . 25230 1 23 . THR . 25230 1 24 . GLN . 25230 1 25 . LEU . 25230 1 26 . ASP . 25230 1 27 . VAL . 25230 1 28 . ASP . 25230 1 29 . SER . 25230 1 30 . HIS . 25230 1 31 . LEU . 25230 1 32 . ALA . 25230 1 33 . GLN . 25230 1 34 . CYS . 25230 1 35 . LEU . 25230 1 36 . ALA . 25230 1 37 . GLU . 25230 1 38 . SER . 25230 1 39 . THR . 25230 1 40 . GLU . 25230 1 41 . ASP . 25230 1 42 . VAL . 25230 1 43 . THR . 25230 1 44 . TRP . 25230 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 25230 1 . HIS 2 2 25230 1 . MET 3 3 25230 1 . GLY 4 4 25230 1 . ALA 5 5 25230 1 . ALA 6 6 25230 1 . ALA 7 7 25230 1 . LEU 8 8 25230 1 . ARG 9 9 25230 1 . SER 10 10 25230 1 . CYS 11 11 25230 1 . PRO 12 12 25230 1 . MET 13 13 25230 1 . CYS 14 14 25230 1 . GLN 15 15 25230 1 . LYS 16 16 25230 1 . GLU 17 17 25230 1 . PHE 18 18 25230 1 . ALA 19 19 25230 1 . PRO 20 20 25230 1 . ARG 21 21 25230 1 . LEU 22 22 25230 1 . THR 23 23 25230 1 . GLN 24 24 25230 1 . LEU 25 25 25230 1 . ASP 26 26 25230 1 . VAL 27 27 25230 1 . ASP 28 28 25230 1 . SER 29 29 25230 1 . HIS 30 30 25230 1 . LEU 31 31 25230 1 . ALA 32 32 25230 1 . GLN 33 33 25230 1 . CYS 34 34 25230 1 . LEU 35 35 25230 1 . ALA 36 36 25230 1 . GLU 37 37 25230 1 . SER 38 38 25230 1 . THR 39 39 25230 1 . GLU 40 40 25230 1 . ASP 41 41 25230 1 . VAL 42 42 25230 1 . THR 43 43 25230 1 . TRP 44 44 25230 1 stop_ save_ save_Ubiquitin _Entity.Sf_category entity _Entity.Sf_framecode Ubiquitin _Entity.Entry_ID 25230 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Ubiquitin _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 ; SHMQIFVKTLTGKTITLEVE PSDTIENVKAKIQDKEGIPP DQQRLIFAGKQLEDGRTLSD YNIQKESTLHLVLRLRGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '1, M through 76,G' _Entity.Polymer_author_seq_details ; Residues 1-2 represent non-native residues leftover after protease cleavage removal of an affinity tag; residues 3-78 represent human ubiquitin sequence (1-76). ; _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment Ubiquitin _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8802.141 _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 99 SER . 25230 2 2 100 HIS . 25230 2 3 101 MET . 25230 2 4 102 GLN . 25230 2 5 103 ILE . 25230 2 6 104 PHE . 25230 2 7 105 VAL . 25230 2 8 106 LYS . 25230 2 9 107 THR . 25230 2 10 108 LEU . 25230 2 11 109 THR . 25230 2 12 110 GLY . 25230 2 13 111 LYS . 25230 2 14 112 THR . 25230 2 15 113 ILE . 25230 2 16 114 THR . 25230 2 17 115 LEU . 25230 2 18 116 GLU . 25230 2 19 117 VAL . 25230 2 20 118 GLU . 25230 2 21 119 PRO . 25230 2 22 120 SER . 25230 2 23 121 ASP . 25230 2 24 122 THR . 25230 2 25 123 ILE . 25230 2 26 124 GLU . 25230 2 27 125 ASN . 25230 2 28 126 VAL . 25230 2 29 127 LYS . 25230 2 30 128 ALA . 25230 2 31 129 LYS . 25230 2 32 130 ILE . 25230 2 33 131 GLN . 25230 2 34 132 ASP . 25230 2 35 133 LYS . 25230 2 36 134 GLU . 25230 2 37 135 GLY . 25230 2 38 136 ILE . 25230 2 39 137 PRO . 25230 2 40 138 PRO . 25230 2 41 139 ASP . 25230 2 42 140 GLN . 25230 2 43 141 GLN . 25230 2 44 142 ARG . 25230 2 45 143 LEU . 25230 2 46 144 ILE . 25230 2 47 145 PHE . 25230 2 48 146 ALA . 25230 2 49 147 GLY . 25230 2 50 148 LYS . 25230 2 51 149 GLN . 25230 2 52 150 LEU . 25230 2 53 151 GLU . 25230 2 54 152 ASP . 25230 2 55 153 GLY . 25230 2 56 154 ARG . 25230 2 57 155 THR . 25230 2 58 156 LEU . 25230 2 59 157 SER . 25230 2 60 158 ASP . 25230 2 61 159 TYR . 25230 2 62 160 ASN . 25230 2 63 161 ILE . 25230 2 64 162 GLN . 25230 2 65 163 LYS . 25230 2 66 164 GLU . 25230 2 67 165 SER . 25230 2 68 166 THR . 25230 2 69 167 LEU . 25230 2 70 168 HIS . 25230 2 71 169 LEU . 25230 2 72 170 VAL . 25230 2 73 171 LEU . 25230 2 74 172 ARG . 25230 2 75 173 LEU . 25230 2 76 174 ARG . 25230 2 77 175 GLY . 25230 2 78 176 GLY . 25230 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 25230 2 . HIS 2 2 25230 2 . MET 3 3 25230 2 . GLN 4 4 25230 2 . ILE 5 5 25230 2 . PHE 6 6 25230 2 . VAL 7 7 25230 2 . LYS 8 8 25230 2 . THR 9 9 25230 2 . LEU 10 10 25230 2 . THR 11 11 25230 2 . GLY 12 12 25230 2 . LYS 13 13 25230 2 . THR 14 14 25230 2 . ILE 15 15 25230 2 . THR 16 16 25230 2 . LEU 17 17 25230 2 . GLU 18 18 25230 2 . VAL 19 19 25230 2 . GLU 20 20 25230 2 . PRO 21 21 25230 2 . SER 22 22 25230 2 . ASP 23 23 25230 2 . THR 24 24 25230 2 . ILE 25 25 25230 2 . GLU 26 26 25230 2 . ASN 27 27 25230 2 . VAL 28 28 25230 2 . LYS 29 29 25230 2 . ALA 30 30 25230 2 . LYS 31 31 25230 2 . ILE 32 32 25230 2 . GLN 33 33 25230 2 . ASP 34 34 25230 2 . LYS 35 35 25230 2 . GLU 36 36 25230 2 . GLY 37 37 25230 2 . ILE 38 38 25230 2 . PRO 39 39 25230 2 . PRO 40 40 25230 2 . ASP 41 41 25230 2 . GLN 42 42 25230 2 . GLN 43 43 25230 2 . ARG 44 44 25230 2 . LEU 45 45 25230 2 . ILE 46 46 25230 2 . PHE 47 47 25230 2 . ALA 48 48 25230 2 . GLY 49 49 25230 2 . LYS 50 50 25230 2 . GLN 51 51 25230 2 . LEU 52 52 25230 2 . GLU 53 53 25230 2 . ASP 54 54 25230 2 . GLY 55 55 25230 2 . ARG 56 56 25230 2 . THR 57 57 25230 2 . LEU 58 58 25230 2 . SER 59 59 25230 2 . ASP 60 60 25230 2 . TYR 61 61 25230 2 . ASN 62 62 25230 2 . ILE 63 63 25230 2 . GLN 64 64 25230 2 . LYS 65 65 25230 2 . GLU 66 66 25230 2 . SER 67 67 25230 2 . THR 68 68 25230 2 . LEU 69 69 25230 2 . HIS 70 70 25230 2 . LEU 71 71 25230 2 . VAL 72 72 25230 2 . LEU 73 73 25230 2 . ARG 74 74 25230 2 . LEU 75 75 25230 2 . ARG 76 76 25230 2 . GLY 77 77 25230 2 . GLY 78 78 25230 2 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25230 _Entity.ID 3 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 25230 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25230 3 ZN 'Three letter code' 25230 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 25230 3 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 25230 _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 $UBZ . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . C1orf86 . 25230 1 2 2 $Ubiquitin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25230 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 25230 _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 $UBZ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet15b . . . 25230 1 2 2 $Ubiquitin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet15b . . . 25230 1 3 3 $entity_ZN . 'obtained from a vendor' . . . . . . . . . . . . . . . . 25230 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 25230 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 25230 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25230 ZN [Zn++] SMILES CACTVS 3.341 25230 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25230 ZN [Zn+2] SMILES ACDLabs 10.04 25230 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25230 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25230 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 25230 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25230 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25230 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N13C_Ubi _Sample.Sf_category sample _Sample.Sf_framecode 15N13C_Ubi _Sample.Entry_ID 25230 _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 Ubiquitin '[U-100% 13C; U-100% 15N]' . . 2 $Ubiquitin . . 1 . . mM . . . . 25230 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25230 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25230 1 4 UBZ 'natural abundance' . . 1 $UBZ . . 2 . . mM . . . . 25230 1 stop_ save_ save_15N13C_UBZ_Ubi _Sample.Sf_category sample _Sample.Sf_framecode 15N13C_UBZ_Ubi _Sample.Entry_ID 25230 _Sample.ID 2 _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 UBZ '[U-100% 13C; U-100% 15N]' . . 1 $UBZ . . 0.8 . . mM . . . . 25230 2 2 Ubiquitin '[U-100% 13C; U-100% 15N]' . . 2 $Ubiquitin . . 0.8 . . mM . . . . 25230 2 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25230 2 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25230 2 stop_ save_ save_15N13C_UBZ_Ubi_NOE _Sample.Sf_category sample _Sample.Sf_framecode 15N13C_UBZ_Ubi_NOE _Sample.Entry_ID 25230 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 Ubiquitin '[U-100% 13C; U-100% 15N]' . . 2 $Ubiquitin . . 3 . . mM . . . . 25230 3 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25230 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25230 3 4 UBZ '[U-100% 13C; U-100% 15N]' . . 1 $UBZ . . 3 . . mM . . . . 25230 3 stop_ save_ save_15N13C_UBZ_NOE _Sample.Sf_category sample _Sample.Sf_framecode 15N13C_UBZ_NOE _Sample.Entry_ID 25230 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 Ubiquitin 'natural abundance' . . 2 $Ubiquitin . . 3 . . mM . . . . 25230 4 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25230 4 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25230 4 4 UBZ '[U-100% 13C; U-100% 15N]' . . 1 $UBZ . . 3 . . mM . . . . 25230 4 stop_ save_ save_15N13C_Ubi_NOE _Sample.Sf_category sample _Sample.Sf_framecode 15N13C_Ubi_NOE _Sample.Entry_ID 25230 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 Ubiquitin '[U-100% 13C; U-100% 15N]' . . 2 $Ubiquitin . . 3 . . mM . . . . 25230 5 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25230 5 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25230 5 4 UBZ 'natural abundance' . . 1 $UBZ . . 3 . . mM . . . . 25230 5 stop_ save_ save_15N13C_Ubi_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N13C_Ubi_D2O _Sample.Entry_ID 25230 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 Ubiquitin '[U-100% 13C; U-100% 15N]' . . 2 $Ubiquitin . . 1 . . mM . . . . 25230 6 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25230 6 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25230 6 4 UBZ 'natural abundance' . . 1 $UBZ . . 2 . . mM . . . . 25230 6 stop_ save_ save_15N13C_UBZ_Ubi_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N13C_UBZ_Ubi_D2O _Sample.Entry_ID 25230 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 UBZ '[U-100% 13C; U-100% 15N]' . . 1 $UBZ . . 0.8 . . mM . . . . 25230 7 2 Ubiquitin '[U-100% 13C; U-100% 15N]' . . 2 $Ubiquitin . . 0.8 . . mM . . . . 25230 7 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 25230 7 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25230 7 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 25230 _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' 100 . mM 25230 1 pH 7 . pH 25230 1 pressure 1 . atm 25230 1 temperature 298 . K 25230 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25230 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25230 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25230 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25230 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25230 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25230 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25230 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25230 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25230 3 stop_ save_ save_SCRUB _Software.Sf_category software _Software.Sf_framecode SCRUB _Software.Entry_ID 25230 _Software.ID 4 _Software.Name SCRUB _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Coggins and Zhou' . . 25230 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25230 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25230 _Software.ID 5 _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' . . 25230 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25230 5 'structure solution' 25230 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25230 _Software.ID 6 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25230 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25230 6 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 25230 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25230 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25230 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 25230 1 2 spectrometer_2 Varian INOVA . 800 . . . 25230 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 25230 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N13C_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N13C_UBZ_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 3 '4D sparse-sampled HCCH TOCSY' no . . . . . . . . . . 6 $15N13C_Ubi_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 4 '3D sparse-sampled HA(CA)NH' no . . . . . . . . . . 1 $15N13C_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 5 '3D sparse-sampled HNCO' no . . . . . . . . . . 1 $15N13C_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 6 '3D sparse-sampled HNCA' no . . . . . . . . . . 1 $15N13C_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 7 '3D sparse-sampled HNCACB' no . . . . . . . . . . 1 $15N13C_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 8 '3D sparse-sampled HN(CO)CA' no . . . . . . . . . . 1 $15N13C_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 9 '3D sparse-sampled HN(COCA)CB' no . . . . . . . . . . 1 $15N13C_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 10 '4D sparse-sampled HC(CO)NH-TOCSY' no . . . . . . . . . . 1 $15N13C_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 11 '4D sparse-sampled CHNH NOESY' no . . . . . . . . . . 1 $15N13C_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N13C_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 13 '3D sparse-sampled HA(CACO)NH' no . . . . . . . . . . 2 $15N13C_UBZ_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 14 '3D sparse-sampled HA(CA)NH' no . . . . . . . . . . 2 $15N13C_UBZ_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 15 '3D sparse-sampled HNCO' no . . . . . . . . . . 2 $15N13C_UBZ_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 16 '3D sparse-sampled HNCA' no . . . . . . . . . . 2 $15N13C_UBZ_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 17 '3D sparse-sampled HNCACB' no . . . . . . . . . . 2 $15N13C_UBZ_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 18 '3D sparse-sampled HN(CO)CA' no . . . . . . . . . . 2 $15N13C_UBZ_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 19 '4D sparse-sampled HC(CO)NH-TOCSY' no . . . . . . . . . . 2 $15N13C_UBZ_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 20 '4D sparse-sampled CHNH NOESY' no . . . . . . . . . . 2 $15N13C_UBZ_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 21 '3D sparse-sampled HN(COCA)CB' no . . . . . . . . . . 2 $15N13C_UBZ_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 22 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15N13C_UBZ_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 23 '4D sparse-sampled CHCH NOESY' no . . . . . . . . . . 3 $15N13C_UBZ_Ubi_NOE isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 24 '4D sparse-sampled CHCH NOESY' no . . . . . . . . . . 4 $15N13C_UBZ_NOE isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 25 '4D sparse-sampled CHCH NOESY' no . . . . . . . . . . 5 $15N13C_Ubi_NOE isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 26 '3D sparse-sampled HNCACO' no . . . . . . . . . . 2 $15N13C_UBZ_Ubi isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 1 27 '4D sparse-sampled HCCH TOCSY' no . . . . . . . . . . 7 $15N13C_UBZ_Ubi_D2O isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25230 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 25230 _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 . . . . . 25230 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25230 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25230 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 25230 _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 '2D 1H-15N HSQC' . . . 25230 1 2 '2D 1H-15N HSQC' . . . 25230 1 5 '3D sparse-sampled HNCO' . . . 25230 1 11 '4D sparse-sampled CHNH NOESY' . . . 25230 1 15 '3D sparse-sampled HNCO' . . . 25230 1 20 '4D sparse-sampled CHNH NOESY' . . . 25230 1 22 '3D 1H-15N NOESY' . . . 25230 1 24 '4D sparse-sampled CHCH NOESY' . . . 25230 1 25 '4D sparse-sampled CHCH NOESY' . . . 25230 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 HIS C C 13 177.389 0.400 . 1 . . . . 2 HIS C . 25230 1 2 . 1 1 3 3 MET H H 1 8.448 0.020 . 1 . . . . 3 MET H . 25230 1 3 . 1 1 3 3 MET HA H 1 4.412 0.020 . 1 . . . . 3 MET HA . 25230 1 4 . 1 1 3 3 MET HB2 H 1 1.951 0.020 . 1 . . . . 3 MET HB2 . 25230 1 5 . 1 1 3 3 MET HB3 H 1 1.951 0.020 . 1 . . . . 3 MET HB3 . 25230 1 6 . 1 1 3 3 MET HG2 H 1 2.471 0.020 . 1 . . . . 3 MET HG2 . 25230 1 7 . 1 1 3 3 MET HG3 H 1 2.471 0.020 . 1 . . . . 3 MET HG3 . 25230 1 8 . 1 1 3 3 MET HE1 H 1 2.017 0.020 . 1 . . . . 3 MET HE1 . 25230 1 9 . 1 1 3 3 MET HE2 H 1 2.017 0.020 . 1 . . . . 3 MET HE2 . 25230 1 10 . 1 1 3 3 MET HE3 H 1 2.017 0.020 . 1 . . . . 3 MET HE3 . 25230 1 11 . 1 1 3 3 MET C C 13 176.544 0.400 . 1 . . . . 3 MET C . 25230 1 12 . 1 1 3 3 MET CA C 13 54.967 0.400 . 1 . . . . 3 MET CA . 25230 1 13 . 1 1 3 3 MET CB C 13 31.913 0.400 . 1 . . . . 3 MET CB . 25230 1 14 . 1 1 3 3 MET CG C 13 31.418 0.400 . 1 . . . . 3 MET CG . 25230 1 15 . 1 1 3 3 MET CE C 13 16.315 0.400 . 1 . . . . 3 MET CE . 25230 1 16 . 1 1 3 3 MET N N 15 122.082 0.400 . 1 . . . . 3 MET N . 25230 1 17 . 1 1 4 4 GLY H H 1 8.459 0.020 . 1 . . . . 4 GLY H . 25230 1 18 . 1 1 4 4 GLY HA2 H 1 3.951 0.020 . 1 . . . . 4 GLY HA2 . 25230 1 19 . 1 1 4 4 GLY HA3 H 1 3.951 0.020 . 1 . . . . 4 GLY HA3 . 25230 1 20 . 1 1 4 4 GLY C C 13 173.781 0.400 . 1 . . . . 4 GLY C . 25230 1 21 . 1 1 4 4 GLY CA C 13 44.584 0.400 . 1 . . . . 4 GLY CA . 25230 1 22 . 1 1 4 4 GLY N N 15 110.366 0.400 . 1 . . . . 4 GLY N . 25230 1 23 . 1 1 5 5 ALA H H 1 8.253 0.020 . 1 . . . . 5 ALA H . 25230 1 24 . 1 1 5 5 ALA HA H 1 4.297 0.020 . 1 . . . . 5 ALA HA . 25230 1 25 . 1 1 5 5 ALA HB1 H 1 1.368 0.020 . 1 . . . . 5 ALA HB1 . 25230 1 26 . 1 1 5 5 ALA HB2 H 1 1.368 0.020 . 1 . . . . 5 ALA HB2 . 25230 1 27 . 1 1 5 5 ALA HB3 H 1 1.368 0.020 . 1 . . . . 5 ALA HB3 . 25230 1 28 . 1 1 5 5 ALA C C 13 177.465 0.400 . 1 . . . . 5 ALA C . 25230 1 29 . 1 1 5 5 ALA CA C 13 51.884 0.400 . 1 . . . . 5 ALA CA . 25230 1 30 . 1 1 5 5 ALA CB C 13 18.921 0.400 . 1 . . . . 5 ALA CB . 25230 1 31 . 1 1 5 5 ALA N N 15 124.049 0.400 . 1 . . . . 5 ALA N . 25230 1 32 . 1 1 6 6 ALA H H 1 8.322 0.020 . 1 . . . . 6 ALA H . 25230 1 33 . 1 1 6 6 ALA HA H 1 4.281 0.020 . 1 . . . . 6 ALA HA . 25230 1 34 . 1 1 6 6 ALA HB1 H 1 1.322 0.020 . 1 . . . . 6 ALA HB1 . 25230 1 35 . 1 1 6 6 ALA HB2 H 1 1.322 0.020 . 1 . . . . 6 ALA HB2 . 25230 1 36 . 1 1 6 6 ALA HB3 H 1 1.322 0.020 . 1 . . . . 6 ALA HB3 . 25230 1 37 . 1 1 6 6 ALA C C 13 177.249 0.400 . 1 . . . . 6 ALA C . 25230 1 38 . 1 1 6 6 ALA CA C 13 51.851 0.400 . 1 . . . . 6 ALA CA . 25230 1 39 . 1 1 6 6 ALA CB C 13 18.877 0.400 . 1 . . . . 6 ALA CB . 25230 1 40 . 1 1 6 6 ALA N N 15 123.132 0.400 . 1 . . . . 6 ALA N . 25230 1 41 . 1 1 7 7 ALA H H 1 8.231 0.020 . 1 . . . . 7 ALA H . 25230 1 42 . 1 1 7 7 ALA HA H 1 4.263 0.020 . 1 . . . . 7 ALA HA . 25230 1 43 . 1 1 7 7 ALA HB1 H 1 1.343 0.020 . 1 . . . . 7 ALA HB1 . 25230 1 44 . 1 1 7 7 ALA HB2 H 1 1.343 0.020 . 1 . . . . 7 ALA HB2 . 25230 1 45 . 1 1 7 7 ALA HB3 H 1 1.343 0.020 . 1 . . . . 7 ALA HB3 . 25230 1 46 . 1 1 7 7 ALA C C 13 177.348 0.400 . 1 . . . . 7 ALA C . 25230 1 47 . 1 1 7 7 ALA CA C 13 51.585 0.400 . 1 . . . . 7 ALA CA . 25230 1 48 . 1 1 7 7 ALA CB C 13 18.799 0.400 . 1 . . . . 7 ALA CB . 25230 1 49 . 1 1 7 7 ALA N N 15 123.675 0.400 . 1 . . . . 7 ALA N . 25230 1 50 . 1 1 8 8 LEU H H 1 8.104 0.020 . 1 . . . . 8 LEU H . 25230 1 51 . 1 1 8 8 LEU HA H 1 4.389 0.020 . 1 . . . . 8 LEU HA . 25230 1 52 . 1 1 8 8 LEU HB2 H 1 1.636 0.020 . 1 . . . . 8 LEU HB2 . 25230 1 53 . 1 1 8 8 LEU HB3 H 1 1.636 0.020 . 1 . . . . 8 LEU HB3 . 25230 1 54 . 1 1 8 8 LEU HG H 1 1.734 0.020 . 1 . . . . 8 LEU HG . 25230 1 55 . 1 1 8 8 LEU HD11 H 1 0.947 0.020 . 2 . . . . 8 LEU HD11 . 25230 1 56 . 1 1 8 8 LEU HD12 H 1 0.947 0.020 . 2 . . . . 8 LEU HD12 . 25230 1 57 . 1 1 8 8 LEU HD13 H 1 0.947 0.020 . 2 . . . . 8 LEU HD13 . 25230 1 58 . 1 1 8 8 LEU HD21 H 1 0.952 0.020 . 2 . . . . 8 LEU HD21 . 25230 1 59 . 1 1 8 8 LEU HD22 H 1 0.952 0.020 . 2 . . . . 8 LEU HD22 . 25230 1 60 . 1 1 8 8 LEU HD23 H 1 0.952 0.020 . 2 . . . . 8 LEU HD23 . 25230 1 61 . 1 1 8 8 LEU C C 13 177.090 0.400 . 1 . . . . 8 LEU C . 25230 1 62 . 1 1 8 8 LEU CA C 13 54.534 0.400 . 1 . . . . 8 LEU CA . 25230 1 63 . 1 1 8 8 LEU CB C 13 42.732 0.400 . 1 . . . . 8 LEU CB . 25230 1 64 . 1 1 8 8 LEU CG C 13 26.652 0.400 . 1 . . . . 8 LEU CG . 25230 1 65 . 1 1 8 8 LEU CD1 C 13 25.390 0.400 . 1 . . . . 8 LEU CD1 . 25230 1 66 . 1 1 8 8 LEU CD2 C 13 23.795 0.400 . 1 . . . . 8 LEU CD2 . 25230 1 67 . 1 1 8 8 LEU N N 15 121.187 0.400 . 1 . . . . 8 LEU N . 25230 1 68 . 1 1 9 9 ARG H H 1 8.797 0.020 . 1 . . . . 9 ARG H . 25230 1 69 . 1 1 9 9 ARG HA H 1 4.486 0.020 . 1 . . . . 9 ARG HA . 25230 1 70 . 1 1 9 9 ARG HB2 H 1 1.959 0.020 . 2 . . . . 9 ARG HB2 . 25230 1 71 . 1 1 9 9 ARG HB3 H 1 1.783 0.020 . 2 . . . . 9 ARG HB3 . 25230 1 72 . 1 1 9 9 ARG HG2 H 1 1.686 0.020 . 1 . . . . 9 ARG HG2 . 25230 1 73 . 1 1 9 9 ARG HG3 H 1 1.686 0.020 . 1 . . . . 9 ARG HG3 . 25230 1 74 . 1 1 9 9 ARG HD2 H 1 3.182 0.020 . 1 . . . . 9 ARG HD2 . 25230 1 75 . 1 1 9 9 ARG HD3 H 1 3.182 0.020 . 1 . . . . 9 ARG HD3 . 25230 1 76 . 1 1 9 9 ARG C C 13 176.109 0.400 . 1 . . . . 9 ARG C . 25230 1 77 . 1 1 9 9 ARG CA C 13 55.761 0.400 . 1 . . . . 9 ARG CA . 25230 1 78 . 1 1 9 9 ARG CB C 13 30.679 0.400 . 1 . . . . 9 ARG CB . 25230 1 79 . 1 1 9 9 ARG CG C 13 26.630 0.400 . 1 . . . . 9 ARG CG . 25230 1 80 . 1 1 9 9 ARG CD C 13 42.480 0.400 . 1 . . . . 9 ARG CD . 25230 1 81 . 1 1 9 9 ARG N N 15 121.721 0.400 . 1 . . . . 9 ARG N . 25230 1 82 . 1 1 10 10 SER H H 1 7.555 0.020 . 1 . . . . 10 SER H . 25230 1 83 . 1 1 10 10 SER HA H 1 4.265 0.020 . 1 . . . . 10 SER HA . 25230 1 84 . 1 1 10 10 SER HB2 H 1 3.313 0.020 . 2 . . . . 10 SER HB2 . 25230 1 85 . 1 1 10 10 SER HB3 H 1 3.002 0.020 . 2 . . . . 10 SER HB3 . 25230 1 86 . 1 1 10 10 SER C C 13 178.260 0.400 . 1 . . . . 10 SER C . 25230 1 87 . 1 1 10 10 SER CA C 13 55.374 0.400 . 1 . . . . 10 SER CA . 25230 1 88 . 1 1 10 10 SER CB C 13 64.945 0.400 . 1 . . . . 10 SER CB . 25230 1 89 . 1 1 10 10 SER N N 15 112.067 0.400 . 1 . . . . 10 SER N . 25230 1 90 . 1 1 11 11 CYS H H 1 7.980 0.020 . 1 . . . . 11 CYS H . 25230 1 91 . 1 1 11 11 CYS HA H 1 4.198 0.020 . 1 . . . . 11 CYS HA . 25230 1 92 . 1 1 11 11 CYS HB2 H 1 2.927 0.020 . 2 . . . . 11 CYS HB2 . 25230 1 93 . 1 1 11 11 CYS HB3 H 1 2.268 0.020 . 2 . . . . 11 CYS HB3 . 25230 1 94 . 1 1 11 11 CYS CA C 13 55.881 0.400 . 1 . . . . 11 CYS CA . 25230 1 95 . 1 1 11 11 CYS CB C 13 30.802 0.400 . 1 . . . . 11 CYS CB . 25230 1 96 . 1 1 11 11 CYS N N 15 124.756 0.400 . 1 . . . . 11 CYS N . 25230 1 97 . 1 1 12 12 PRO HA H 1 4.289 0.020 . 1 . . . . 12 PRO HA . 25230 1 98 . 1 1 12 12 PRO HB2 H 1 1.680 0.020 . 2 . . . . 12 PRO HB2 . 25230 1 99 . 1 1 12 12 PRO HB3 H 1 2.276 0.020 . 2 . . . . 12 PRO HB3 . 25230 1 100 . 1 1 12 12 PRO HG2 H 1 0.874 0.020 . 2 . . . . 12 PRO HG2 . 25230 1 101 . 1 1 12 12 PRO HG3 H 1 1.222 0.020 . 2 . . . . 12 PRO HG3 . 25230 1 102 . 1 1 12 12 PRO HD2 H 1 3.671 0.020 . 2 . . . . 12 PRO HD2 . 25230 1 103 . 1 1 12 12 PRO HD3 H 1 3.377 0.020 . 2 . . . . 12 PRO HD3 . 25230 1 104 . 1 1 12 12 PRO C C 13 176.179 0.400 . 1 . . . . 12 PRO C . 25230 1 105 . 1 1 12 12 PRO CA C 13 63.891 0.400 . 1 . . . . 12 PRO CA . 25230 1 106 . 1 1 12 12 PRO CB C 13 31.799 0.400 . 1 . . . . 12 PRO CB . 25230 1 107 . 1 1 12 12 PRO CG C 13 25.487 0.400 . 1 . . . . 12 PRO CG . 25230 1 108 . 1 1 12 12 PRO CD C 13 50.373 0.400 . 1 . . . . 12 PRO CD . 25230 1 109 . 1 1 13 13 MET H H 1 8.777 0.020 . 1 . . . . 13 MET H . 25230 1 110 . 1 1 13 13 MET HA H 1 4.258 0.020 . 1 . . . . 13 MET HA . 25230 1 111 . 1 1 13 13 MET HB2 H 1 2.078 0.020 . 2 . . . . 13 MET HB2 . 25230 1 112 . 1 1 13 13 MET HB3 H 1 1.960 0.020 . 2 . . . . 13 MET HB3 . 25230 1 113 . 1 1 13 13 MET HG2 H 1 2.656 0.020 . 2 . . . . 13 MET HG2 . 25230 1 114 . 1 1 13 13 MET HG3 H 1 1.921 0.020 . 2 . . . . 13 MET HG3 . 25230 1 115 . 1 1 13 13 MET HE1 H 1 1.734 0.020 . 1 . . . . 13 MET HE1 . 25230 1 116 . 1 1 13 13 MET HE2 H 1 1.734 0.020 . 1 . . . . 13 MET HE2 . 25230 1 117 . 1 1 13 13 MET HE3 H 1 1.734 0.020 . 1 . . . . 13 MET HE3 . 25230 1 118 . 1 1 13 13 MET C C 13 176.255 0.400 . 1 . . . . 13 MET C . 25230 1 119 . 1 1 13 13 MET CA C 13 57.472 0.400 . 1 . . . . 13 MET CA . 25230 1 120 . 1 1 13 13 MET CB C 13 33.892 0.400 . 1 . . . . 13 MET CB . 25230 1 121 . 1 1 13 13 MET CG C 13 32.637 0.400 . 1 . . . . 13 MET CG . 25230 1 122 . 1 1 13 13 MET CE C 13 18.354 0.400 . 1 . . . . 13 MET CE . 25230 1 123 . 1 1 13 13 MET N N 15 119.495 0.400 . 1 . . . . 13 MET N . 25230 1 124 . 1 1 14 14 CYS H H 1 8.280 0.020 . 1 . . . . 14 CYS H . 25230 1 125 . 1 1 14 14 CYS HA H 1 4.883 0.020 . 1 . . . . 14 CYS HA . 25230 1 126 . 1 1 14 14 CYS HB2 H 1 3.169 0.020 . 2 . . . . 14 CYS HB2 . 25230 1 127 . 1 1 14 14 CYS HB3 H 1 2.695 0.020 . 2 . . . . 14 CYS HB3 . 25230 1 128 . 1 1 14 14 CYS C C 13 176.154 0.400 . 1 . . . . 14 CYS C . 25230 1 129 . 1 1 14 14 CYS CA C 13 58.426 0.400 . 1 . . . . 14 CYS CA . 25230 1 130 . 1 1 14 14 CYS CB C 13 31.194 0.400 . 1 . . . . 14 CYS CB . 25230 1 131 . 1 1 14 14 CYS N N 15 118.342 0.400 . 1 . . . . 14 CYS N . 25230 1 132 . 1 1 15 15 GLN H H 1 7.680 0.020 . 1 . . . . 15 GLN H . 25230 1 133 . 1 1 15 15 GLN HA H 1 3.891 0.020 . 1 . . . . 15 GLN HA . 25230 1 134 . 1 1 15 15 GLN HB2 H 1 2.173 0.020 . 2 . . . . 15 GLN HB2 . 25230 1 135 . 1 1 15 15 GLN HB3 H 1 2.324 0.020 . 2 . . . . 15 GLN HB3 . 25230 1 136 . 1 1 15 15 GLN HG2 H 1 2.102 0.020 . 1 . . . . 15 GLN HG2 . 25230 1 137 . 1 1 15 15 GLN HG3 H 1 2.102 0.020 . 1 . . . . 15 GLN HG3 . 25230 1 138 . 1 1 15 15 GLN HE21 H 1 7.180 0.020 . 2 . . . . 15 GLN HE21 . 25230 1 139 . 1 1 15 15 GLN HE22 H 1 6.472 0.020 . 2 . . . . 15 GLN HE22 . 25230 1 140 . 1 1 15 15 GLN C C 13 174.702 0.400 . 1 . . . . 15 GLN C . 25230 1 141 . 1 1 15 15 GLN CA C 13 57.446 0.400 . 1 . . . . 15 GLN CA . 25230 1 142 . 1 1 15 15 GLN CB C 13 24.986 0.400 . 1 . . . . 15 GLN CB . 25230 1 143 . 1 1 15 15 GLN CG C 13 33.672 0.400 . 1 . . . . 15 GLN CG . 25230 1 144 . 1 1 15 15 GLN N N 15 115.275 0.400 . 1 . . . . 15 GLN N . 25230 1 145 . 1 1 15 15 GLN NE2 N 15 112.391 0.400 . 1 . . . . 15 GLN NE2 . 25230 1 146 . 1 1 16 16 LYS H H 1 8.187 0.020 . 1 . . . . 16 LYS H . 25230 1 147 . 1 1 16 16 LYS HA H 1 3.885 0.020 . 1 . . . . 16 LYS HA . 25230 1 148 . 1 1 16 16 LYS HB2 H 1 1.707 0.020 . 2 . . . . 16 LYS HB2 . 25230 1 149 . 1 1 16 16 LYS HB3 H 1 1.093 0.020 . 2 . . . . 16 LYS HB3 . 25230 1 150 . 1 1 16 16 LYS HG2 H 1 1.186 0.020 . 2 . . . . 16 LYS HG2 . 25230 1 151 . 1 1 16 16 LYS HG3 H 1 1.004 0.020 . 2 . . . . 16 LYS HG3 . 25230 1 152 . 1 1 16 16 LYS HD2 H 1 1.420 0.020 . 2 . . . . 16 LYS HD2 . 25230 1 153 . 1 1 16 16 LYS HD3 H 1 1.214 0.020 . 2 . . . . 16 LYS HD3 . 25230 1 154 . 1 1 16 16 LYS HE2 H 1 2.854 0.020 . 1 . . . . 16 LYS HE2 . 25230 1 155 . 1 1 16 16 LYS HE3 H 1 2.854 0.020 . 1 . . . . 16 LYS HE3 . 25230 1 156 . 1 1 16 16 LYS C C 13 175.463 0.400 . 1 . . . . 16 LYS C . 25230 1 157 . 1 1 16 16 LYS CA C 13 56.823 0.400 . 1 . . . . 16 LYS CA . 25230 1 158 . 1 1 16 16 LYS CB C 13 32.909 0.400 . 1 . . . . 16 LYS CB . 25230 1 159 . 1 1 16 16 LYS CG C 13 24.367 0.400 . 1 . . . . 16 LYS CG . 25230 1 160 . 1 1 16 16 LYS CD C 13 28.689 0.400 . 1 . . . . 16 LYS CD . 25230 1 161 . 1 1 16 16 LYS CE C 13 41.306 0.400 . 1 . . . . 16 LYS CE . 25230 1 162 . 1 1 16 16 LYS N N 15 123.016 0.400 . 1 . . . . 16 LYS N . 25230 1 163 . 1 1 17 17 GLU H H 1 8.422 0.020 . 1 . . . . 17 GLU H . 25230 1 164 . 1 1 17 17 GLU HA H 1 3.852 0.020 . 1 . . . . 17 GLU HA . 25230 1 165 . 1 1 17 17 GLU HB2 H 1 1.786 0.020 . 1 . . . . 17 GLU HB2 . 25230 1 166 . 1 1 17 17 GLU HB3 H 1 1.786 0.020 . 1 . . . . 17 GLU HB3 . 25230 1 167 . 1 1 17 17 GLU HG2 H 1 1.982 0.020 . 2 . . . . 17 GLU HG2 . 25230 1 168 . 1 1 17 17 GLU HG3 H 1 2.193 0.020 . 2 . . . . 17 GLU HG3 . 25230 1 169 . 1 1 17 17 GLU CA C 13 55.638 0.400 . 1 . . . . 17 GLU CA . 25230 1 170 . 1 1 17 17 GLU CB C 13 30.122 0.400 . 1 . . . . 17 GLU CB . 25230 1 171 . 1 1 17 17 GLU CG C 13 36.158 0.400 . 1 . . . . 17 GLU CG . 25230 1 172 . 1 1 17 17 GLU N N 15 124.246 0.400 . 1 . . . . 17 GLU N . 25230 1 173 . 1 1 18 18 PHE H H 1 7.998 0.020 . 1 . . . . 18 PHE H . 25230 1 174 . 1 1 18 18 PHE HA H 1 4.660 0.020 . 1 . . . . 18 PHE HA . 25230 1 175 . 1 1 18 18 PHE HB2 H 1 2.815 0.020 . 2 . . . . 18 PHE HB2 . 25230 1 176 . 1 1 18 18 PHE HB3 H 1 2.638 0.020 . 2 . . . . 18 PHE HB3 . 25230 1 177 . 1 1 18 18 PHE HD1 H 1 6.737 0.020 . 1 . . . . 18 PHE HD1 . 25230 1 178 . 1 1 18 18 PHE HD2 H 1 6.737 0.020 . 1 . . . . 18 PHE HD2 . 25230 1 179 . 1 1 18 18 PHE HE1 H 1 6.550 0.020 . 1 . . . . 18 PHE HE1 . 25230 1 180 . 1 1 18 18 PHE HE2 H 1 6.550 0.020 . 1 . . . . 18 PHE HE2 . 25230 1 181 . 1 1 18 18 PHE HZ H 1 6.710 0.020 . 1 . . . . 18 PHE HZ . 25230 1 182 . 1 1 18 18 PHE CA C 13 54.443 0.400 . 1 . . . . 18 PHE CA . 25230 1 183 . 1 1 18 18 PHE CB C 13 37.669 0.400 . 1 . . . . 18 PHE CB . 25230 1 184 . 1 1 18 18 PHE CD1 C 13 130.113 0.400 . 1 . . . . 18 PHE CD1 . 25230 1 185 . 1 1 18 18 PHE CD2 C 13 130.113 0.400 . 1 . . . . 18 PHE CD2 . 25230 1 186 . 1 1 18 18 PHE CE1 C 13 129.613 0.400 . 1 . . . . 18 PHE CE1 . 25230 1 187 . 1 1 18 18 PHE CE2 C 13 129.613 0.400 . 1 . . . . 18 PHE CE2 . 25230 1 188 . 1 1 18 18 PHE CZ C 13 127.234 0.400 . 1 . . . . 18 PHE CZ . 25230 1 189 . 1 1 18 18 PHE N N 15 124.027 0.400 . 1 . . . . 18 PHE N . 25230 1 190 . 1 1 19 19 ALA H H 1 8.304 0.020 . 1 . . . . 19 ALA H . 25230 1 191 . 1 1 19 19 ALA HA H 1 4.514 0.020 . 1 . . . . 19 ALA HA . 25230 1 192 . 1 1 19 19 ALA HB1 H 1 1.432 0.020 . 1 . . . . 19 ALA HB1 . 25230 1 193 . 1 1 19 19 ALA HB2 H 1 1.432 0.020 . 1 . . . . 19 ALA HB2 . 25230 1 194 . 1 1 19 19 ALA HB3 H 1 1.432 0.020 . 1 . . . . 19 ALA HB3 . 25230 1 195 . 1 1 19 19 ALA C C 13 176.379 0.400 . 1 . . . . 19 ALA C . 25230 1 196 . 1 1 19 19 ALA CA C 13 50.459 0.400 . 1 . . . . 19 ALA CA . 25230 1 197 . 1 1 19 19 ALA CB C 13 17.142 0.400 . 1 . . . . 19 ALA CB . 25230 1 198 . 1 1 19 19 ALA N N 15 129.037 0.400 . 1 . . . . 19 ALA N . 25230 1 199 . 1 1 20 20 PRO HA H 1 4.300 0.020 . 1 . . . . 20 PRO HA . 25230 1 200 . 1 1 20 20 PRO HB2 H 1 2.332 0.020 . 2 . . . . 20 PRO HB2 . 25230 1 201 . 1 1 20 20 PRO HB3 H 1 1.885 0.020 . 2 . . . . 20 PRO HB3 . 25230 1 202 . 1 1 20 20 PRO HG2 H 1 2.031 0.020 . 1 . . . . 20 PRO HG2 . 25230 1 203 . 1 1 20 20 PRO HG3 H 1 2.031 0.020 . 1 . . . . 20 PRO HG3 . 25230 1 204 . 1 1 20 20 PRO HD2 H 1 3.776 0.020 . 1 . . . . 20 PRO HD2 . 25230 1 205 . 1 1 20 20 PRO HD3 H 1 3.776 0.020 . 1 . . . . 20 PRO HD3 . 25230 1 206 . 1 1 20 20 PRO C C 13 176.955 0.400 . 1 . . . . 20 PRO C . 25230 1 207 . 1 1 20 20 PRO CA C 13 64.247 0.400 . 1 . . . . 20 PRO CA . 25230 1 208 . 1 1 20 20 PRO CB C 13 31.452 0.400 . 1 . . . . 20 PRO CB . 25230 1 209 . 1 1 20 20 PRO CG C 13 27.078 0.400 . 1 . . . . 20 PRO CG . 25230 1 210 . 1 1 20 20 PRO CD C 13 50.121 0.400 . 1 . . . . 20 PRO CD . 25230 1 211 . 1 1 21 21 ARG H H 1 7.599 0.020 . 1 . . . . 21 ARG H . 25230 1 212 . 1 1 21 21 ARG HA H 1 4.163 0.020 . 1 . . . . 21 ARG HA . 25230 1 213 . 1 1 21 21 ARG HB2 H 1 1.832 0.020 . 1 . . . . 21 ARG HB2 . 25230 1 214 . 1 1 21 21 ARG HB3 H 1 1.832 0.020 . 1 . . . . 21 ARG HB3 . 25230 1 215 . 1 1 21 21 ARG HG2 H 1 1.461 0.020 . 1 . . . . 21 ARG HG2 . 25230 1 216 . 1 1 21 21 ARG HG3 H 1 1.461 0.020 . 1 . . . . 21 ARG HG3 . 25230 1 217 . 1 1 21 21 ARG HD2 H 1 3.136 0.020 . 1 . . . . 21 ARG HD2 . 25230 1 218 . 1 1 21 21 ARG HD3 H 1 3.136 0.020 . 1 . . . . 21 ARG HD3 . 25230 1 219 . 1 1 21 21 ARG C C 13 176.779 0.400 . 1 . . . . 21 ARG C . 25230 1 220 . 1 1 21 21 ARG CA C 13 55.705 0.400 . 1 . . . . 21 ARG CA . 25230 1 221 . 1 1 21 21 ARG CB C 13 28.626 0.400 . 1 . . . . 21 ARG CB . 25230 1 222 . 1 1 21 21 ARG CG C 13 26.582 0.400 . 1 . . . . 21 ARG CG . 25230 1 223 . 1 1 21 21 ARG CD C 13 42.571 0.400 . 1 . . . . 21 ARG CD . 25230 1 224 . 1 1 21 21 ARG N N 15 111.617 0.400 . 1 . . . . 21 ARG N . 25230 1 225 . 1 1 22 22 LEU H H 1 7.512 0.020 . 1 . . . . 22 LEU H . 25230 1 226 . 1 1 22 22 LEU HA H 1 4.319 0.020 . 1 . . . . 22 LEU HA . 25230 1 227 . 1 1 22 22 LEU HB2 H 1 1.441 0.020 . 2 . . . . 22 LEU HB2 . 25230 1 228 . 1 1 22 22 LEU HB3 H 1 1.667 0.020 . 2 . . . . 22 LEU HB3 . 25230 1 229 . 1 1 22 22 LEU HG H 1 1.837 0.020 . 1 . . . . 22 LEU HG . 25230 1 230 . 1 1 22 22 LEU HD11 H 1 0.793 0.020 . 2 . . . . 22 LEU HD11 . 25230 1 231 . 1 1 22 22 LEU HD12 H 1 0.793 0.020 . 2 . . . . 22 LEU HD12 . 25230 1 232 . 1 1 22 22 LEU HD13 H 1 0.793 0.020 . 2 . . . . 22 LEU HD13 . 25230 1 233 . 1 1 22 22 LEU HD21 H 1 0.932 0.020 . 2 . . . . 22 LEU HD21 . 25230 1 234 . 1 1 22 22 LEU HD22 H 1 0.932 0.020 . 2 . . . . 22 LEU HD22 . 25230 1 235 . 1 1 22 22 LEU HD23 H 1 0.932 0.020 . 2 . . . . 22 LEU HD23 . 25230 1 236 . 1 1 22 22 LEU C C 13 177.933 0.400 . 1 . . . . 22 LEU C . 25230 1 237 . 1 1 22 22 LEU CA C 13 55.270 0.400 . 1 . . . . 22 LEU CA . 25230 1 238 . 1 1 22 22 LEU CB C 13 41.182 0.400 . 1 . . . . 22 LEU CB . 25230 1 239 . 1 1 22 22 LEU CG C 13 26.872 0.400 . 1 . . . . 22 LEU CG . 25230 1 240 . 1 1 22 22 LEU CD1 C 13 22.250 0.400 . 1 . . . . 22 LEU CD1 . 25230 1 241 . 1 1 22 22 LEU CD2 C 13 25.485 0.400 . 1 . . . . 22 LEU CD2 . 25230 1 242 . 1 1 22 22 LEU N N 15 121.114 0.400 . 1 . . . . 22 LEU N . 25230 1 243 . 1 1 23 23 THR H H 1 9.058 0.020 . 1 . . . . 23 THR H . 25230 1 244 . 1 1 23 23 THR HA H 1 4.360 0.020 . 1 . . . . 23 THR HA . 25230 1 245 . 1 1 23 23 THR HB H 1 4.646 0.020 . 1 . . . . 23 THR HB . 25230 1 246 . 1 1 23 23 THR HG21 H 1 1.336 0.020 . 1 . . . . 23 THR HG21 . 25230 1 247 . 1 1 23 23 THR HG22 H 1 1.336 0.020 . 1 . . . . 23 THR HG22 . 25230 1 248 . 1 1 23 23 THR HG23 H 1 1.336 0.020 . 1 . . . . 23 THR HG23 . 25230 1 249 . 1 1 23 23 THR C C 13 175.139 0.400 . 1 . . . . 23 THR C . 25230 1 250 . 1 1 23 23 THR CA C 13 59.968 0.400 . 1 . . . . 23 THR CA . 25230 1 251 . 1 1 23 23 THR CB C 13 70.887 0.400 . 1 . . . . 23 THR CB . 25230 1 252 . 1 1 23 23 THR CG2 C 13 21.177 0.400 . 1 . . . . 23 THR CG2 . 25230 1 253 . 1 1 23 23 THR N N 15 114.258 0.400 . 1 . . . . 23 THR N . 25230 1 254 . 1 1 24 24 GLN H H 1 8.835 0.020 . 1 . . . . 24 GLN H . 25230 1 255 . 1 1 24 24 GLN HA H 1 3.713 0.020 . 1 . . . . 24 GLN HA . 25230 1 256 . 1 1 24 24 GLN HB2 H 1 2.119 0.020 . 2 . . . . 24 GLN HB2 . 25230 1 257 . 1 1 24 24 GLN HB3 H 1 1.959 0.020 . 2 . . . . 24 GLN HB3 . 25230 1 258 . 1 1 24 24 GLN HG2 H 1 2.133 0.020 . 1 . . . . 24 GLN HG2 . 25230 1 259 . 1 1 24 24 GLN HG3 H 1 2.133 0.020 . 1 . . . . 24 GLN HG3 . 25230 1 260 . 1 1 24 24 GLN HE21 H 1 7.750 0.020 . 2 . . . . 24 GLN HE21 . 25230 1 261 . 1 1 24 24 GLN HE22 H 1 6.558 0.020 . 2 . . . . 24 GLN HE22 . 25230 1 262 . 1 1 24 24 GLN C C 13 177.591 0.400 . 1 . . . . 24 GLN C . 25230 1 263 . 1 1 24 24 GLN CA C 13 58.284 0.400 . 1 . . . . 24 GLN CA . 25230 1 264 . 1 1 24 24 GLN CB C 13 28.206 0.400 . 1 . . . . 24 GLN CB . 25230 1 265 . 1 1 24 24 GLN CG C 13 33.085 0.400 . 1 . . . . 24 GLN CG . 25230 1 266 . 1 1 24 24 GLN N N 15 120.754 0.400 . 1 . . . . 24 GLN N . 25230 1 267 . 1 1 24 24 GLN NE2 N 15 114.644 0.400 . 1 . . . . 24 GLN NE2 . 25230 1 268 . 1 1 25 25 LEU H H 1 7.899 0.020 . 1 . . . . 25 LEU H . 25230 1 269 . 1 1 25 25 LEU HA H 1 4.142 0.020 . 1 . . . . 25 LEU HA . 25230 1 270 . 1 1 25 25 LEU HB2 H 1 1.668 0.020 . 1 . . . . 25 LEU HB2 . 25230 1 271 . 1 1 25 25 LEU HB3 H 1 1.668 0.020 . 1 . . . . 25 LEU HB3 . 25230 1 272 . 1 1 25 25 LEU HG H 1 1.758 0.020 . 1 . . . . 25 LEU HG . 25230 1 273 . 1 1 25 25 LEU HD11 H 1 1.075 0.020 . 2 . . . . 25 LEU HD11 . 25230 1 274 . 1 1 25 25 LEU HD12 H 1 1.075 0.020 . 2 . . . . 25 LEU HD12 . 25230 1 275 . 1 1 25 25 LEU HD13 H 1 1.075 0.020 . 2 . . . . 25 LEU HD13 . 25230 1 276 . 1 1 25 25 LEU HD21 H 1 1.002 0.020 . 2 . . . . 25 LEU HD21 . 25230 1 277 . 1 1 25 25 LEU HD22 H 1 1.002 0.020 . 2 . . . . 25 LEU HD22 . 25230 1 278 . 1 1 25 25 LEU HD23 H 1 1.002 0.020 . 2 . . . . 25 LEU HD23 . 25230 1 279 . 1 1 25 25 LEU C C 13 178.984 0.400 . 1 . . . . 25 LEU C . 25230 1 280 . 1 1 25 25 LEU CA C 13 57.811 0.400 . 1 . . . . 25 LEU CA . 25230 1 281 . 1 1 25 25 LEU CB C 13 41.439 0.400 . 1 . . . . 25 LEU CB . 25230 1 282 . 1 1 25 25 LEU CG C 13 27.028 0.400 . 1 . . . . 25 LEU CG . 25230 1 283 . 1 1 25 25 LEU CD1 C 13 24.247 0.400 . 1 . . . . 25 LEU CD1 . 25230 1 284 . 1 1 25 25 LEU CD2 C 13 24.556 0.400 . 1 . . . . 25 LEU CD2 . 25230 1 285 . 1 1 25 25 LEU N N 15 118.814 0.400 . 1 . . . . 25 LEU N . 25230 1 286 . 1 1 26 26 ASP H H 1 7.553 0.020 . 1 . . . . 26 ASP H . 25230 1 287 . 1 1 26 26 ASP HA H 1 4.211 0.020 . 1 . . . . 26 ASP HA . 25230 1 288 . 1 1 26 26 ASP HB2 H 1 2.936 0.020 . 2 . . . . 26 ASP HB2 . 25230 1 289 . 1 1 26 26 ASP HB3 H 1 2.545 0.020 . 2 . . . . 26 ASP HB3 . 25230 1 290 . 1 1 26 26 ASP C C 13 179.490 0.400 . 1 . . . . 26 ASP C . 25230 1 291 . 1 1 26 26 ASP CA C 13 56.819 0.400 . 1 . . . . 26 ASP CA . 25230 1 292 . 1 1 26 26 ASP CB C 13 41.224 0.400 . 1 . . . . 26 ASP CB . 25230 1 293 . 1 1 26 26 ASP N N 15 120.208 0.400 . 1 . . . . 26 ASP N . 25230 1 294 . 1 1 27 27 VAL H H 1 7.880 0.020 . 1 . . . . 27 VAL H . 25230 1 295 . 1 1 27 27 VAL HA H 1 2.807 0.020 . 1 . . . . 27 VAL HA . 25230 1 296 . 1 1 27 27 VAL HB H 1 1.708 0.020 . 1 . . . . 27 VAL HB . 25230 1 297 . 1 1 27 27 VAL HG11 H 1 0.179 0.020 . 2 . . . . 27 VAL HG11 . 25230 1 298 . 1 1 27 27 VAL HG12 H 1 0.179 0.020 . 2 . . . . 27 VAL HG12 . 25230 1 299 . 1 1 27 27 VAL HG13 H 1 0.179 0.020 . 2 . . . . 27 VAL HG13 . 25230 1 300 . 1 1 27 27 VAL HG21 H 1 0.191 0.020 . 2 . . . . 27 VAL HG21 . 25230 1 301 . 1 1 27 27 VAL HG22 H 1 0.191 0.020 . 2 . . . . 27 VAL HG22 . 25230 1 302 . 1 1 27 27 VAL HG23 H 1 0.191 0.020 . 2 . . . . 27 VAL HG23 . 25230 1 303 . 1 1 27 27 VAL C C 13 177.068 0.400 . 1 . . . . 27 VAL C . 25230 1 304 . 1 1 27 27 VAL CA C 13 66.385 0.400 . 1 . . . . 27 VAL CA . 25230 1 305 . 1 1 27 27 VAL CB C 13 30.940 0.400 . 1 . . . . 27 VAL CB . 25230 1 306 . 1 1 27 27 VAL CG1 C 13 19.605 0.400 . 1 . . . . 27 VAL CG1 . 25230 1 307 . 1 1 27 27 VAL CG2 C 13 21.743 0.400 . 1 . . . . 27 VAL CG2 . 25230 1 308 . 1 1 27 27 VAL N N 15 123.015 0.400 . 1 . . . . 27 VAL N . 25230 1 309 . 1 1 28 28 ASP H H 1 8.369 0.020 . 1 . . . . 28 ASP H . 25230 1 310 . 1 1 28 28 ASP HA H 1 4.036 0.020 . 1 . . . . 28 ASP HA . 25230 1 311 . 1 1 28 28 ASP HB2 H 1 2.476 0.020 . 2 . . . . 28 ASP HB2 . 25230 1 312 . 1 1 28 28 ASP HB3 H 1 2.044 0.020 . 2 . . . . 28 ASP HB3 . 25230 1 313 . 1 1 28 28 ASP C C 13 177.819 0.400 . 1 . . . . 28 ASP C . 25230 1 314 . 1 1 28 28 ASP CA C 13 57.496 0.400 . 1 . . . . 28 ASP CA . 25230 1 315 . 1 1 28 28 ASP CB C 13 39.560 0.400 . 1 . . . . 28 ASP CB . 25230 1 316 . 1 1 28 28 ASP N N 15 120.893 0.400 . 1 . . . . 28 ASP N . 25230 1 317 . 1 1 29 29 SER H H 1 7.894 0.020 . 1 . . . . 29 SER H . 25230 1 318 . 1 1 29 29 SER HB2 H 1 3.893 0.020 . 1 . . . . 29 SER HB2 . 25230 1 319 . 1 1 29 29 SER HB3 H 1 3.893 0.020 . 1 . . . . 29 SER HB3 . 25230 1 320 . 1 1 29 29 SER C C 13 177.067 0.400 . 1 . . . . 29 SER C . 25230 1 321 . 1 1 29 29 SER CB C 13 62.305 0.400 . 1 . . . . 29 SER CB . 25230 1 322 . 1 1 29 29 SER N N 15 112.819 0.400 . 1 . . . . 29 SER N . 25230 1 323 . 1 1 30 30 HIS H H 1 7.619 0.020 . 1 . . . . 30 HIS H . 25230 1 324 . 1 1 30 30 HIS HA H 1 4.037 0.020 . 1 . . . . 30 HIS HA . 25230 1 325 . 1 1 30 30 HIS HB2 H 1 3.490 0.020 . 2 . . . . 30 HIS HB2 . 25230 1 326 . 1 1 30 30 HIS HB3 H 1 3.206 0.020 . 2 . . . . 30 HIS HB3 . 25230 1 327 . 1 1 30 30 HIS HD2 H 1 6.973 0.020 . 1 . . . . 30 HIS HD2 . 25230 1 328 . 1 1 30 30 HIS HE1 H 1 7.702 0.020 . 1 . . . . 30 HIS HE1 . 25230 1 329 . 1 1 30 30 HIS C C 13 177.079 0.400 . 1 . . . . 30 HIS C . 25230 1 330 . 1 1 30 30 HIS CA C 13 60.141 0.400 . 1 . . . . 30 HIS CA . 25230 1 331 . 1 1 30 30 HIS CB C 13 27.086 0.400 . 1 . . . . 30 HIS CB . 25230 1 332 . 1 1 30 30 HIS CD2 C 13 126.920 0.400 . 1 . . . . 30 HIS CD2 . 25230 1 333 . 1 1 30 30 HIS CE1 C 13 138.342 0.400 . 1 . . . . 30 HIS CE1 . 25230 1 334 . 1 1 30 30 HIS N N 15 120.983 0.400 . 1 . . . . 30 HIS N . 25230 1 335 . 1 1 31 31 LEU H H 1 8.657 0.020 . 1 . . . . 31 LEU H . 25230 1 336 . 1 1 31 31 LEU HA H 1 3.728 0.020 . 1 . . . . 31 LEU HA . 25230 1 337 . 1 1 31 31 LEU HB2 H 1 2.068 0.020 . 2 . . . . 31 LEU HB2 . 25230 1 338 . 1 1 31 31 LEU HB3 H 1 1.230 0.020 . 2 . . . . 31 LEU HB3 . 25230 1 339 . 1 1 31 31 LEU HG H 1 1.993 0.020 . 1 . . . . 31 LEU HG . 25230 1 340 . 1 1 31 31 LEU HD11 H 1 0.697 0.020 . 2 . . . . 31 LEU HD11 . 25230 1 341 . 1 1 31 31 LEU HD12 H 1 0.697 0.020 . 2 . . . . 31 LEU HD12 . 25230 1 342 . 1 1 31 31 LEU HD13 H 1 0.697 0.020 . 2 . . . . 31 LEU HD13 . 25230 1 343 . 1 1 31 31 LEU HD21 H 1 0.848 0.020 . 2 . . . . 31 LEU HD21 . 25230 1 344 . 1 1 31 31 LEU HD22 H 1 0.848 0.020 . 2 . . . . 31 LEU HD22 . 25230 1 345 . 1 1 31 31 LEU HD23 H 1 0.848 0.020 . 2 . . . . 31 LEU HD23 . 25230 1 346 . 1 1 31 31 LEU C C 13 178.111 0.400 . 1 . . . . 31 LEU C . 25230 1 347 . 1 1 31 31 LEU CA C 13 57.531 0.400 . 1 . . . . 31 LEU CA . 25230 1 348 . 1 1 31 31 LEU CB C 13 41.663 0.400 . 1 . . . . 31 LEU CB . 25230 1 349 . 1 1 31 31 LEU CG C 13 26.072 0.400 . 1 . . . . 31 LEU CG . 25230 1 350 . 1 1 31 31 LEU CD1 C 13 23.321 0.400 . 1 . . . . 31 LEU CD1 . 25230 1 351 . 1 1 31 31 LEU CD2 C 13 26.563 0.400 . 1 . . . . 31 LEU CD2 . 25230 1 352 . 1 1 31 31 LEU N N 15 118.614 0.400 . 1 . . . . 31 LEU N . 25230 1 353 . 1 1 32 32 ALA H H 1 8.296 0.020 . 1 . . . . 32 ALA H . 25230 1 354 . 1 1 32 32 ALA HA H 1 3.767 0.020 . 1 . . . . 32 ALA HA . 25230 1 355 . 1 1 32 32 ALA HB1 H 1 1.323 0.020 . 1 . . . . 32 ALA HB1 . 25230 1 356 . 1 1 32 32 ALA HB2 H 1 1.323 0.020 . 1 . . . . 32 ALA HB2 . 25230 1 357 . 1 1 32 32 ALA HB3 H 1 1.323 0.020 . 1 . . . . 32 ALA HB3 . 25230 1 358 . 1 1 32 32 ALA C C 13 178.082 0.400 . 1 . . . . 32 ALA C . 25230 1 359 . 1 1 32 32 ALA CA C 13 54.601 0.400 . 1 . . . . 32 ALA CA . 25230 1 360 . 1 1 32 32 ALA CB C 13 17.854 0.400 . 1 . . . . 32 ALA CB . 25230 1 361 . 1 1 32 32 ALA N N 15 119.459 0.400 . 1 . . . . 32 ALA N . 25230 1 362 . 1 1 33 33 GLN H H 1 7.537 0.020 . 1 . . . . 33 GLN H . 25230 1 363 . 1 1 33 33 GLN HA H 1 3.878 0.020 . 1 . . . . 33 GLN HA . 25230 1 364 . 1 1 33 33 GLN HB2 H 1 2.055 0.020 . 1 . . . . 33 GLN HB2 . 25230 1 365 . 1 1 33 33 GLN HB3 H 1 2.055 0.020 . 1 . . . . 33 GLN HB3 . 25230 1 366 . 1 1 33 33 GLN HG2 H 1 2.340 0.020 . 1 . . . . 33 GLN HG2 . 25230 1 367 . 1 1 33 33 GLN HG3 H 1 2.340 0.020 . 1 . . . . 33 GLN HG3 . 25230 1 368 . 1 1 33 33 GLN HE21 H 1 7.596 0.020 . 2 . . . . 33 GLN HE21 . 25230 1 369 . 1 1 33 33 GLN HE22 H 1 6.778 0.020 . 2 . . . . 33 GLN HE22 . 25230 1 370 . 1 1 33 33 GLN C C 13 178.653 0.400 . 1 . . . . 33 GLN C . 25230 1 371 . 1 1 33 33 GLN CA C 13 58.477 0.400 . 1 . . . . 33 GLN CA . 25230 1 372 . 1 1 33 33 GLN CB C 13 27.623 0.400 . 1 . . . . 33 GLN CB . 25230 1 373 . 1 1 33 33 GLN CG C 13 33.251 0.400 . 1 . . . . 33 GLN CG . 25230 1 374 . 1 1 33 33 GLN N N 15 117.648 0.400 . 1 . . . . 33 GLN N . 25230 1 375 . 1 1 33 33 GLN NE2 N 15 112.402 0.400 . 1 . . . . 33 GLN NE2 . 25230 1 376 . 1 1 34 34 CYS H H 1 8.265 0.020 . 1 . . . . 34 CYS H . 25230 1 377 . 1 1 34 34 CYS HA H 1 3.848 0.020 . 1 . . . . 34 CYS HA . 25230 1 378 . 1 1 34 34 CYS HB2 H 1 2.469 0.020 . 2 . . . . 34 CYS HB2 . 25230 1 379 . 1 1 34 34 CYS HB3 H 1 2.941 0.020 . 2 . . . . 34 CYS HB3 . 25230 1 380 . 1 1 34 34 CYS C C 13 178.744 0.400 . 1 . . . . 34 CYS C . 25230 1 381 . 1 1 34 34 CYS CA C 13 65.538 0.400 . 1 . . . . 34 CYS CA . 25230 1 382 . 1 1 34 34 CYS CB C 13 26.753 0.400 . 1 . . . . 34 CYS CB . 25230 1 383 . 1 1 34 34 CYS N N 15 119.676 0.400 . 1 . . . . 34 CYS N . 25230 1 384 . 1 1 35 35 LEU H H 1 8.764 0.020 . 1 . . . . 35 LEU H . 25230 1 385 . 1 1 35 35 LEU HA H 1 4.238 0.020 . 1 . . . . 35 LEU HA . 25230 1 386 . 1 1 35 35 LEU HB2 H 1 2.010 0.020 . 2 . . . . 35 LEU HB2 . 25230 1 387 . 1 1 35 35 LEU HB3 H 1 1.558 0.020 . 2 . . . . 35 LEU HB3 . 25230 1 388 . 1 1 35 35 LEU HG H 1 1.537 0.020 . 1 . . . . 35 LEU HG . 25230 1 389 . 1 1 35 35 LEU HD11 H 1 1.232 0.020 . 2 . . . . 35 LEU HD11 . 25230 1 390 . 1 1 35 35 LEU HD12 H 1 1.232 0.020 . 2 . . . . 35 LEU HD12 . 25230 1 391 . 1 1 35 35 LEU HD13 H 1 1.232 0.020 . 2 . . . . 35 LEU HD13 . 25230 1 392 . 1 1 35 35 LEU HD21 H 1 0.851 0.020 . 2 . . . . 35 LEU HD21 . 25230 1 393 . 1 1 35 35 LEU HD22 H 1 0.851 0.020 . 2 . . . . 35 LEU HD22 . 25230 1 394 . 1 1 35 35 LEU HD23 H 1 0.851 0.020 . 2 . . . . 35 LEU HD23 . 25230 1 395 . 1 1 35 35 LEU C C 13 179.090 0.400 . 1 . . . . 35 LEU C . 25230 1 396 . 1 1 35 35 LEU CA C 13 57.022 0.400 . 1 . . . . 35 LEU CA . 25230 1 397 . 1 1 35 35 LEU CB C 13 41.168 0.400 . 1 . . . . 35 LEU CB . 25230 1 398 . 1 1 35 35 LEU CG C 13 27.046 0.400 . 1 . . . . 35 LEU CG . 25230 1 399 . 1 1 35 35 LEU CD1 C 13 23.299 0.400 . 1 . . . . 35 LEU CD1 . 25230 1 400 . 1 1 35 35 LEU CD2 C 13 25.451 0.400 . 1 . . . . 35 LEU CD2 . 25230 1 401 . 1 1 35 35 LEU N N 15 122.036 0.400 . 1 . . . . 35 LEU N . 25230 1 402 . 1 1 36 36 ALA H H 1 8.169 0.020 . 1 . . . . 36 ALA H . 25230 1 403 . 1 1 36 36 ALA HA H 1 3.896 0.020 . 1 . . . . 36 ALA HA . 25230 1 404 . 1 1 36 36 ALA HB1 H 1 1.560 0.020 . 1 . . . . 36 ALA HB1 . 25230 1 405 . 1 1 36 36 ALA HB2 H 1 1.560 0.020 . 1 . . . . 36 ALA HB2 . 25230 1 406 . 1 1 36 36 ALA HB3 H 1 1.560 0.020 . 1 . . . . 36 ALA HB3 . 25230 1 407 . 1 1 36 36 ALA C C 13 179.254 0.400 . 1 . . . . 36 ALA C . 25230 1 408 . 1 1 36 36 ALA CA C 13 54.240 0.400 . 1 . . . . 36 ALA CA . 25230 1 409 . 1 1 36 36 ALA CB C 13 18.519 0.400 . 1 . . . . 36 ALA CB . 25230 1 410 . 1 1 36 36 ALA N N 15 121.371 0.400 . 1 . . . . 36 ALA N . 25230 1 411 . 1 1 37 37 GLU H H 1 7.374 0.020 . 1 . . . . 37 GLU H . 25230 1 412 . 1 1 37 37 GLU HA H 1 4.208 0.020 . 1 . . . . 37 GLU HA . 25230 1 413 . 1 1 37 37 GLU HB2 H 1 2.134 0.020 . 2 . . . . 37 GLU HB2 . 25230 1 414 . 1 1 37 37 GLU HB3 H 1 1.967 0.020 . 2 . . . . 37 GLU HB3 . 25230 1 415 . 1 1 37 37 GLU HG2 H 1 2.445 0.020 . 2 . . . . 37 GLU HG2 . 25230 1 416 . 1 1 37 37 GLU HG3 H 1 2.284 0.020 . 2 . . . . 37 GLU HG3 . 25230 1 417 . 1 1 37 37 GLU C C 13 176.714 0.400 . 1 . . . . 37 GLU C . 25230 1 418 . 1 1 37 37 GLU CA C 13 55.830 0.400 . 1 . . . . 37 GLU CA . 25230 1 419 . 1 1 37 37 GLU CB C 13 29.922 0.400 . 1 . . . . 37 GLU CB . 25230 1 420 . 1 1 37 37 GLU CG C 13 35.798 0.400 . 1 . . . . 37 GLU CG . 25230 1 421 . 1 1 37 37 GLU N N 15 114.105 0.400 . 1 . . . . 37 GLU N . 25230 1 422 . 1 1 38 38 SER H H 1 7.486 0.020 . 1 . . . . 38 SER H . 25230 1 423 . 1 1 38 38 SER HA H 1 4.423 0.020 . 1 . . . . 38 SER HA . 25230 1 424 . 1 1 38 38 SER HB2 H 1 4.053 0.020 . 1 . . . . 38 SER HB2 . 25230 1 425 . 1 1 38 38 SER HB3 H 1 4.053 0.020 . 1 . . . . 38 SER HB3 . 25230 1 426 . 1 1 38 38 SER C C 13 176.119 0.400 . 1 . . . . 38 SER C . 25230 1 427 . 1 1 38 38 SER CA C 13 58.229 0.400 . 1 . . . . 38 SER CA . 25230 1 428 . 1 1 38 38 SER CB C 13 63.245 0.400 . 1 . . . . 38 SER CB . 25230 1 429 . 1 1 38 38 SER N N 15 115.555 0.400 . 1 . . . . 38 SER N . 25230 1 430 . 1 1 39 39 THR H H 1 8.894 0.020 . 1 . . . . 39 THR H . 25230 1 431 . 1 1 39 39 THR HA H 1 4.148 0.020 . 1 . . . . 39 THR HA . 25230 1 432 . 1 1 39 39 THR HB H 1 4.310 0.020 . 1 . . . . 39 THR HB . 25230 1 433 . 1 1 39 39 THR HG21 H 1 1.238 0.020 . 1 . . . . 39 THR HG21 . 25230 1 434 . 1 1 39 39 THR HG22 H 1 1.238 0.020 . 1 . . . . 39 THR HG22 . 25230 1 435 . 1 1 39 39 THR HG23 H 1 1.238 0.020 . 1 . . . . 39 THR HG23 . 25230 1 436 . 1 1 39 39 THR C C 13 174.936 0.400 . 1 . . . . 39 THR C . 25230 1 437 . 1 1 39 39 THR CA C 13 63.523 0.400 . 1 . . . . 39 THR CA . 25230 1 438 . 1 1 39 39 THR CB C 13 68.170 0.400 . 1 . . . . 39 THR CB . 25230 1 439 . 1 1 39 39 THR CG2 C 13 21.525 0.400 . 1 . . . . 39 THR CG2 . 25230 1 440 . 1 1 39 39 THR N N 15 120.165 0.400 . 1 . . . . 39 THR N . 25230 1 441 . 1 1 40 40 GLU H H 1 7.962 0.020 . 1 . . . . 40 GLU H . 25230 1 442 . 1 1 40 40 GLU HA H 1 4.471 0.020 . 1 . . . . 40 GLU HA . 25230 1 443 . 1 1 40 40 GLU HB2 H 1 2.023 0.020 . 2 . . . . 40 GLU HB2 . 25230 1 444 . 1 1 40 40 GLU HB3 H 1 1.797 0.020 . 2 . . . . 40 GLU HB3 . 25230 1 445 . 1 1 40 40 GLU HG2 H 1 2.185 0.020 . 1 . . . . 40 GLU HG2 . 25230 1 446 . 1 1 40 40 GLU HG3 H 1 2.185 0.020 . 1 . . . . 40 GLU HG3 . 25230 1 447 . 1 1 40 40 GLU C C 13 175.888 0.400 . 1 . . . . 40 GLU C . 25230 1 448 . 1 1 40 40 GLU CA C 13 54.035 0.400 . 1 . . . . 40 GLU CA . 25230 1 449 . 1 1 40 40 GLU CB C 13 31.340 0.400 . 1 . . . . 40 GLU CB . 25230 1 450 . 1 1 40 40 GLU CG C 13 35.435 0.400 . 1 . . . . 40 GLU CG . 25230 1 451 . 1 1 40 40 GLU N N 15 119.436 0.400 . 1 . . . . 40 GLU N . 25230 1 452 . 1 1 41 41 ASP H H 1 8.748 0.020 . 1 . . . . 41 ASP H . 25230 1 453 . 1 1 41 41 ASP HA H 1 4.489 0.020 . 1 . . . . 41 ASP HA . 25230 1 454 . 1 1 41 41 ASP HB2 H 1 2.694 0.020 . 2 . . . . 41 ASP HB2 . 25230 1 455 . 1 1 41 41 ASP HB3 H 1 2.475 0.020 . 2 . . . . 41 ASP HB3 . 25230 1 456 . 1 1 41 41 ASP C C 13 175.466 0.400 . 1 . . . . 41 ASP C . 25230 1 457 . 1 1 41 41 ASP CA C 13 54.124 0.400 . 1 . . . . 41 ASP CA . 25230 1 458 . 1 1 41 41 ASP CB C 13 39.747 0.400 . 1 . . . . 41 ASP CB . 25230 1 459 . 1 1 41 41 ASP N N 15 122.486 0.400 . 1 . . . . 41 ASP N . 25230 1 460 . 1 1 42 42 VAL H H 1 7.506 0.020 . 1 . . . . 42 VAL H . 25230 1 461 . 1 1 42 42 VAL HA H 1 4.307 0.020 . 1 . . . . 42 VAL HA . 25230 1 462 . 1 1 42 42 VAL HB H 1 2.076 0.020 . 1 . . . . 42 VAL HB . 25230 1 463 . 1 1 42 42 VAL HG11 H 1 1.000 0.020 . 2 . . . . 42 VAL HG11 . 25230 1 464 . 1 1 42 42 VAL HG12 H 1 1.000 0.020 . 2 . . . . 42 VAL HG12 . 25230 1 465 . 1 1 42 42 VAL HG13 H 1 1.000 0.020 . 2 . . . . 42 VAL HG13 . 25230 1 466 . 1 1 42 42 VAL HG21 H 1 1.037 0.020 . 2 . . . . 42 VAL HG21 . 25230 1 467 . 1 1 42 42 VAL HG22 H 1 1.037 0.020 . 2 . . . . 42 VAL HG22 . 25230 1 468 . 1 1 42 42 VAL HG23 H 1 1.037 0.020 . 2 . . . . 42 VAL HG23 . 25230 1 469 . 1 1 42 42 VAL C C 13 174.810 0.400 . 1 . . . . 42 VAL C . 25230 1 470 . 1 1 42 42 VAL CA C 13 61.108 0.400 . 1 . . . . 42 VAL CA . 25230 1 471 . 1 1 42 42 VAL CB C 13 34.251 0.400 . 1 . . . . 42 VAL CB . 25230 1 472 . 1 1 42 42 VAL CG1 C 13 20.283 0.400 . 1 . . . . 42 VAL CG1 . 25230 1 473 . 1 1 42 42 VAL CG2 C 13 21.194 0.400 . 1 . . . . 42 VAL CG2 . 25230 1 474 . 1 1 42 42 VAL N N 15 120.843 0.400 . 1 . . . . 42 VAL N . 25230 1 475 . 1 1 43 43 THR H H 1 8.259 0.020 . 1 . . . . 43 THR H . 25230 1 476 . 1 1 43 43 THR HA H 1 4.310 0.020 . 1 . . . . 43 THR HA . 25230 1 477 . 1 1 43 43 THR HB H 1 4.005 0.020 . 1 . . . . 43 THR HB . 25230 1 478 . 1 1 43 43 THR HG21 H 1 1.035 0.020 . 1 . . . . 43 THR HG21 . 25230 1 479 . 1 1 43 43 THR HG22 H 1 1.035 0.020 . 1 . . . . 43 THR HG22 . 25230 1 480 . 1 1 43 43 THR HG23 H 1 1.035 0.020 . 1 . . . . 43 THR HG23 . 25230 1 481 . 1 1 43 43 THR C C 13 172.690 0.400 . 1 . . . . 43 THR C . 25230 1 482 . 1 1 43 43 THR CA C 13 60.110 0.400 . 1 . . . . 43 THR CA . 25230 1 483 . 1 1 43 43 THR CB C 13 70.453 0.400 . 1 . . . . 43 THR CB . 25230 1 484 . 1 1 43 43 THR CG2 C 13 20.642 0.400 . 1 . . . . 43 THR CG2 . 25230 1 485 . 1 1 43 43 THR N N 15 117.225 0.400 . 1 . . . . 43 THR N . 25230 1 486 . 1 1 44 44 TRP H H 1 7.657 0.020 . 1 . . . . 44 TRP H . 25230 1 487 . 1 1 44 44 TRP HA H 1 4.586 0.020 . 1 . . . . 44 TRP HA . 25230 1 488 . 1 1 44 44 TRP HB2 H 1 3.298 0.020 . 1 . . . . 44 TRP HB2 . 25230 1 489 . 1 1 44 44 TRP HB3 H 1 3.298 0.020 . 1 . . . . 44 TRP HB3 . 25230 1 490 . 1 1 44 44 TRP HD1 H 1 7.306 0.020 . 1 . . . . 44 TRP HD1 . 25230 1 491 . 1 1 44 44 TRP HE1 H 1 10.508 0.020 . 1 . . . . 44 TRP HE1 . 25230 1 492 . 1 1 44 44 TRP HE3 H 1 7.362 0.020 . 1 . . . . 44 TRP HE3 . 25230 1 493 . 1 1 44 44 TRP HZ2 H 1 7.031 0.020 . 1 . . . . 44 TRP HZ2 . 25230 1 494 . 1 1 44 44 TRP HZ3 H 1 7.044 0.020 . 1 . . . . 44 TRP HZ3 . 25230 1 495 . 1 1 44 44 TRP HH2 H 1 6.821 0.020 . 1 . . . . 44 TRP HH2 . 25230 1 496 . 1 1 44 44 TRP CA C 13 58.562 0.400 . 1 . . . . 44 TRP CA . 25230 1 497 . 1 1 44 44 TRP CB C 13 29.132 0.400 . 1 . . . . 44 TRP CB . 25230 1 498 . 1 1 44 44 TRP CD1 C 13 126.850 0.400 . 1 . . . . 44 TRP CD1 . 25230 1 499 . 1 1 44 44 TRP CE3 C 13 120.625 0.400 . 1 . . . . 44 TRP CE3 . 25230 1 500 . 1 1 44 44 TRP CZ2 C 13 112.946 0.400 . 1 . . . . 44 TRP CZ2 . 25230 1 501 . 1 1 44 44 TRP CZ3 C 13 120.915 0.400 . 1 . . . . 44 TRP CZ3 . 25230 1 502 . 1 1 44 44 TRP CH2 C 13 121.957 0.400 . 1 . . . . 44 TRP CH2 . 25230 1 503 . 1 1 44 44 TRP N N 15 126.730 0.400 . 1 . . . . 44 TRP N . 25230 1 504 . 1 1 44 44 TRP NE1 N 15 129.530 0.400 . 1 . . . . 44 TRP NE1 . 25230 1 505 . 2 2 1 1 SER C C 13 174.010 0.400 . 1 . . . B 99 SER C . 25230 1 506 . 2 2 2 2 HIS H H 1 8.253 0.020 . 1 . . . B 100 HIS H . 25230 1 507 . 2 2 2 2 HIS HA H 1 4.681 0.020 . 1 . . . B 100 HIS HA . 25230 1 508 . 2 2 2 2 HIS HB2 H 1 3.046 0.020 . 1 . . . B 100 HIS HB2 . 25230 1 509 . 2 2 2 2 HIS HB3 H 1 3.046 0.020 . 1 . . . B 100 HIS HB3 . 25230 1 510 . 2 2 2 2 HIS HD2 H 1 6.872 0.020 . 1 . . . B 100 HIS HD2 . 25230 1 511 . 2 2 2 2 HIS HE1 H 1 7.948 0.020 . 1 . . . B 100 HIS HE1 . 25230 1 512 . 2 2 2 2 HIS C C 13 174.438 0.400 . 1 . . . B 100 HIS C . 25230 1 513 . 2 2 2 2 HIS CA C 13 55.954 0.400 . 1 . . . B 100 HIS CA . 25230 1 514 . 2 2 2 2 HIS CB C 13 30.214 0.400 . 1 . . . B 100 HIS CB . 25230 1 515 . 2 2 2 2 HIS CD2 C 13 118.731 0.400 . 1 . . . B 100 HIS CD2 . 25230 1 516 . 2 2 2 2 HIS CE1 C 13 137.213 0.400 . 1 . . . B 100 HIS CE1 . 25230 1 517 . 2 2 2 2 HIS N N 15 120.046 0.400 . 1 . . . B 100 HIS N . 25230 1 518 . 2 2 3 3 MET H H 1 9.193 0.020 . 1 . . . B 101 MET H . 25230 1 519 . 2 2 3 3 MET HA H 1 4.584 0.020 . 1 . . . B 101 MET HA . 25230 1 520 . 2 2 3 3 MET HB2 H 1 1.824 0.020 . 2 . . . B 101 MET HB2 . 25230 1 521 . 2 2 3 3 MET HB3 H 1 1.921 0.020 . 2 . . . B 101 MET HB3 . 25230 1 522 . 2 2 3 3 MET HG2 H 1 2.313 0.020 . 2 . . . B 101 MET HG2 . 25230 1 523 . 2 2 3 3 MET HG3 H 1 1.973 0.020 . 2 . . . B 101 MET HG3 . 25230 1 524 . 2 2 3 3 MET HE1 H 1 1.599 0.020 . 1 . . . B 101 MET HE1 . 25230 1 525 . 2 2 3 3 MET HE2 H 1 1.599 0.020 . 1 . . . B 101 MET HE2 . 25230 1 526 . 2 2 3 3 MET HE3 H 1 1.599 0.020 . 1 . . . B 101 MET HE3 . 25230 1 527 . 2 2 3 3 MET C C 13 172.832 0.400 . 1 . . . B 101 MET C . 25230 1 528 . 2 2 3 3 MET CA C 13 54.166 0.400 . 1 . . . B 101 MET CA . 25230 1 529 . 2 2 3 3 MET CB C 13 34.607 0.400 . 1 . . . B 101 MET CB . 25230 1 530 . 2 2 3 3 MET CG C 13 31.439 0.400 . 1 . . . B 101 MET CG . 25230 1 531 . 2 2 3 3 MET CE C 13 17.414 0.400 . 1 . . . B 101 MET CE . 25230 1 532 . 2 2 3 3 MET N N 15 119.920 0.400 . 1 . . . B 101 MET N . 25230 1 533 . 2 2 4 4 GLN H H 1 8.371 0.020 . 1 . . . B 102 GLN H . 25230 1 534 . 2 2 4 4 GLN HA H 1 5.386 0.020 . 1 . . . B 102 GLN HA . 25230 1 535 . 2 2 4 4 GLN HB2 H 1 1.541 0.020 . 2 . . . B 102 GLN HB2 . 25230 1 536 . 2 2 4 4 GLN HB3 H 1 1.769 0.020 . 2 . . . B 102 GLN HB3 . 25230 1 537 . 2 2 4 4 GLN HG2 H 1 1.924 0.020 . 2 . . . B 102 GLN HG2 . 25230 1 538 . 2 2 4 4 GLN HG3 H 1 2.171 0.020 . 2 . . . B 102 GLN HG3 . 25230 1 539 . 2 2 4 4 GLN HE21 H 1 6.780 0.020 . 2 . . . B 102 GLN HE21 . 25230 1 540 . 2 2 4 4 GLN HE22 H 1 7.735 0.020 . 2 . . . B 102 GLN HE22 . 25230 1 541 . 2 2 4 4 GLN C C 13 175.959 0.400 . 1 . . . B 102 GLN C . 25230 1 542 . 2 2 4 4 GLN CA C 13 53.700 0.400 . 1 . . . B 102 GLN CA . 25230 1 543 . 2 2 4 4 GLN CB C 13 30.227 0.400 . 1 . . . B 102 GLN CB . 25230 1 544 . 2 2 4 4 GLN CG C 13 33.604 0.400 . 1 . . . B 102 GLN CG . 25230 1 545 . 2 2 4 4 GLN N N 15 120.701 0.400 . 1 . . . B 102 GLN N . 25230 1 546 . 2 2 4 4 GLN NE2 N 15 112.049 0.400 . 1 . . . B 102 GLN NE2 . 25230 1 547 . 2 2 5 5 ILE H H 1 8.338 0.020 . 1 . . . B 103 ILE H . 25230 1 548 . 2 2 5 5 ILE HA H 1 4.078 0.020 . 1 . . . B 103 ILE HA . 25230 1 549 . 2 2 5 5 ILE HB H 1 1.687 0.020 . 1 . . . B 103 ILE HB . 25230 1 550 . 2 2 5 5 ILE HG12 H 1 0.761 0.020 . 2 . . . B 103 ILE HG12 . 25230 1 551 . 2 2 5 5 ILE HG13 H 1 1.009 0.020 . 2 . . . B 103 ILE HG13 . 25230 1 552 . 2 2 5 5 ILE HG21 H 1 0.557 0.020 . 1 . . . B 103 ILE HG21 . 25230 1 553 . 2 2 5 5 ILE HG22 H 1 0.557 0.020 . 1 . . . B 103 ILE HG22 . 25230 1 554 . 2 2 5 5 ILE HG23 H 1 0.557 0.020 . 1 . . . B 103 ILE HG23 . 25230 1 555 . 2 2 5 5 ILE HD11 H 1 0.515 0.020 . 1 . . . B 103 ILE HD11 . 25230 1 556 . 2 2 5 5 ILE HD12 H 1 0.515 0.020 . 1 . . . B 103 ILE HD12 . 25230 1 557 . 2 2 5 5 ILE HD13 H 1 0.515 0.020 . 1 . . . B 103 ILE HD13 . 25230 1 558 . 2 2 5 5 ILE C C 13 172.224 0.400 . 1 . . . B 103 ILE C . 25230 1 559 . 2 2 5 5 ILE CA C 13 59.009 0.400 . 1 . . . B 103 ILE CA . 25230 1 560 . 2 2 5 5 ILE CB C 13 41.623 0.400 . 1 . . . B 103 ILE CB . 25230 1 561 . 2 2 5 5 ILE CG1 C 13 24.373 0.400 . 1 . . . B 103 ILE CG1 . 25230 1 562 . 2 2 5 5 ILE CG2 C 13 17.366 0.400 . 1 . . . B 103 ILE CG2 . 25230 1 563 . 2 2 5 5 ILE CD1 C 13 13.731 0.400 . 1 . . . B 103 ILE CD1 . 25230 1 564 . 2 2 5 5 ILE N N 15 114.081 0.400 . 1 . . . B 103 ILE N . 25230 1 565 . 2 2 6 6 PHE H H 1 8.626 0.020 . 1 . . . B 104 PHE H . 25230 1 566 . 2 2 6 6 PHE HA H 1 5.605 0.020 . 1 . . . B 104 PHE HA . 25230 1 567 . 2 2 6 6 PHE HB2 H 1 2.991 0.020 . 2 . . . B 104 PHE HB2 . 25230 1 568 . 2 2 6 6 PHE HB3 H 1 2.795 0.020 . 2 . . . B 104 PHE HB3 . 25230 1 569 . 2 2 6 6 PHE HD1 H 1 7.031 0.020 . 1 . . . B 104 PHE HD1 . 25230 1 570 . 2 2 6 6 PHE HD2 H 1 7.031 0.020 . 1 . . . B 104 PHE HD2 . 25230 1 571 . 2 2 6 6 PHE HE1 H 1 7.192 0.020 . 1 . . . B 104 PHE HE1 . 25230 1 572 . 2 2 6 6 PHE HE2 H 1 7.192 0.020 . 1 . . . B 104 PHE HE2 . 25230 1 573 . 2 2 6 6 PHE HZ H 1 7.182 0.020 . 1 . . . B 104 PHE HZ . 25230 1 574 . 2 2 6 6 PHE C C 13 174.977 0.400 . 1 . . . B 104 PHE C . 25230 1 575 . 2 2 6 6 PHE CA C 13 54.574 0.400 . 1 . . . B 104 PHE CA . 25230 1 576 . 2 2 6 6 PHE CB C 13 40.723 0.400 . 1 . . . B 104 PHE CB . 25230 1 577 . 2 2 6 6 PHE CD1 C 13 131.436 0.400 . 1 . . . B 104 PHE CD1 . 25230 1 578 . 2 2 6 6 PHE CD2 C 13 131.436 0.400 . 1 . . . B 104 PHE CD2 . 25230 1 579 . 2 2 6 6 PHE CE1 C 13 130.423 0.400 . 1 . . . B 104 PHE CE1 . 25230 1 580 . 2 2 6 6 PHE CE2 C 13 130.423 0.400 . 1 . . . B 104 PHE CE2 . 25230 1 581 . 2 2 6 6 PHE CZ C 13 128.999 0.400 . 1 . . . B 104 PHE CZ . 25230 1 582 . 2 2 6 6 PHE N N 15 118.529 0.400 . 1 . . . B 104 PHE N . 25230 1 583 . 2 2 7 7 VAL H H 1 9.394 0.020 . 1 . . . B 105 VAL H . 25230 1 584 . 2 2 7 7 VAL HA H 1 4.618 0.020 . 1 . . . B 105 VAL HA . 25230 1 585 . 2 2 7 7 VAL HB H 1 1.883 0.020 . 1 . . . B 105 VAL HB . 25230 1 586 . 2 2 7 7 VAL HG11 H 1 0.620 0.020 . 2 . . . B 105 VAL HG11 . 25230 1 587 . 2 2 7 7 VAL HG12 H 1 0.620 0.020 . 2 . . . B 105 VAL HG12 . 25230 1 588 . 2 2 7 7 VAL HG13 H 1 0.620 0.020 . 2 . . . B 105 VAL HG13 . 25230 1 589 . 2 2 7 7 VAL HG21 H 1 0.655 0.020 . 2 . . . B 105 VAL HG21 . 25230 1 590 . 2 2 7 7 VAL HG22 H 1 0.655 0.020 . 2 . . . B 105 VAL HG22 . 25230 1 591 . 2 2 7 7 VAL HG23 H 1 0.655 0.020 . 2 . . . B 105 VAL HG23 . 25230 1 592 . 2 2 7 7 VAL C C 13 174.457 0.400 . 1 . . . B 105 VAL C . 25230 1 593 . 2 2 7 7 VAL CA C 13 60.043 0.400 . 1 . . . B 105 VAL CA . 25230 1 594 . 2 2 7 7 VAL CB C 13 33.569 0.400 . 1 . . . B 105 VAL CB . 25230 1 595 . 2 2 7 7 VAL CG1 C 13 22.571 0.400 . 1 . . . B 105 VAL CG1 . 25230 1 596 . 2 2 7 7 VAL CG2 C 13 20.215 0.400 . 1 . . . B 105 VAL CG2 . 25230 1 597 . 2 2 7 7 VAL N N 15 121.513 0.400 . 1 . . . B 105 VAL N . 25230 1 598 . 2 2 8 8 LYS H H 1 9.086 0.020 . 1 . . . B 106 LYS H . 25230 1 599 . 2 2 8 8 LYS HA H 1 5.069 0.020 . 1 . . . B 106 LYS HA . 25230 1 600 . 2 2 8 8 LYS HB2 H 1 1.139 0.020 . 2 . . . B 106 LYS HB2 . 25230 1 601 . 2 2 8 8 LYS HB3 H 1 1.367 0.020 . 2 . . . B 106 LYS HB3 . 25230 1 602 . 2 2 8 8 LYS HG2 H 1 1.151 0.020 . 2 . . . B 106 LYS HG2 . 25230 1 603 . 2 2 8 8 LYS HG3 H 1 1.353 0.020 . 2 . . . B 106 LYS HG3 . 25230 1 604 . 2 2 8 8 LYS HD2 H 1 1.534 0.020 . 1 . . . B 106 LYS HD2 . 25230 1 605 . 2 2 8 8 LYS HD3 H 1 1.534 0.020 . 1 . . . B 106 LYS HD3 . 25230 1 606 . 2 2 8 8 LYS HE2 H 1 2.862 0.020 . 1 . . . B 106 LYS HE2 . 25230 1 607 . 2 2 8 8 LYS HE3 H 1 2.862 0.020 . 1 . . . B 106 LYS HE3 . 25230 1 608 . 2 2 8 8 LYS CA C 13 54.198 0.400 . 1 . . . B 106 LYS CA . 25230 1 609 . 2 2 8 8 LYS CB C 13 34.134 0.400 . 1 . . . B 106 LYS CB . 25230 1 610 . 2 2 8 8 LYS CG C 13 24.451 0.400 . 1 . . . B 106 LYS CG . 25230 1 611 . 2 2 8 8 LYS CD C 13 28.633 0.400 . 1 . . . B 106 LYS CD . 25230 1 612 . 2 2 8 8 LYS CE C 13 41.193 0.400 . 1 . . . B 106 LYS CE . 25230 1 613 . 2 2 8 8 LYS N N 15 128.655 0.400 . 1 . . . B 106 LYS N . 25230 1 614 . 2 2 9 9 THR H H 1 8.740 0.020 . 1 . . . B 107 THR H . 25230 1 615 . 2 2 9 9 THR HA H 1 5.007 0.020 . 1 . . . B 107 THR HA . 25230 1 616 . 2 2 9 9 THR HB H 1 4.756 0.020 . 1 . . . B 107 THR HB . 25230 1 617 . 2 2 9 9 THR HG21 H 1 1.116 0.020 . 1 . . . B 107 THR HG21 . 25230 1 618 . 2 2 9 9 THR HG22 H 1 1.116 0.020 . 1 . . . B 107 THR HG22 . 25230 1 619 . 2 2 9 9 THR HG23 H 1 1.116 0.020 . 1 . . . B 107 THR HG23 . 25230 1 620 . 2 2 9 9 THR C C 13 176.578 0.400 . 1 . . . B 107 THR C . 25230 1 621 . 2 2 9 9 THR CA C 13 59.416 0.400 . 1 . . . B 107 THR CA . 25230 1 622 . 2 2 9 9 THR CB C 13 70.372 0.400 . 1 . . . B 107 THR CB . 25230 1 623 . 2 2 9 9 THR CG2 C 13 20.835 0.400 . 1 . . . B 107 THR CG2 . 25230 1 624 . 2 2 10 10 LEU H H 1 9.481 0.020 . 1 . . . B 108 LEU H . 25230 1 625 . 2 2 10 10 LEU HA H 1 4.311 0.020 . 1 . . . B 108 LEU HA . 25230 1 626 . 2 2 10 10 LEU HB2 H 1 1.730 0.020 . 2 . . . B 108 LEU HB2 . 25230 1 627 . 2 2 10 10 LEU HB3 H 1 1.870 0.020 . 2 . . . B 108 LEU HB3 . 25230 1 628 . 2 2 10 10 LEU HG H 1 1.912 0.020 . 1 . . . B 108 LEU HG . 25230 1 629 . 2 2 10 10 LEU HD11 H 1 0.918 0.020 . 2 . . . B 108 LEU HD11 . 25230 1 630 . 2 2 10 10 LEU HD12 H 1 0.918 0.020 . 2 . . . B 108 LEU HD12 . 25230 1 631 . 2 2 10 10 LEU HD13 H 1 0.918 0.020 . 2 . . . B 108 LEU HD13 . 25230 1 632 . 2 2 10 10 LEU HD21 H 1 1.008 0.020 . 2 . . . B 108 LEU HD21 . 25230 1 633 . 2 2 10 10 LEU HD22 H 1 1.008 0.020 . 2 . . . B 108 LEU HD22 . 25230 1 634 . 2 2 10 10 LEU HD23 H 1 1.008 0.020 . 2 . . . B 108 LEU HD23 . 25230 1 635 . 2 2 10 10 LEU C C 13 178.533 0.400 . 1 . . . B 108 LEU C . 25230 1 636 . 2 2 10 10 LEU CA C 13 56.116 0.400 . 1 . . . B 108 LEU CA . 25230 1 637 . 2 2 10 10 LEU CB C 13 41.035 0.400 . 1 . . . B 108 LEU CB . 25230 1 638 . 2 2 10 10 LEU CG C 13 26.890 0.400 . 1 . . . B 108 LEU CG . 25230 1 639 . 2 2 10 10 LEU CD1 C 13 22.919 0.400 . 1 . . . B 108 LEU CD1 . 25230 1 640 . 2 2 10 10 LEU CD2 C 13 25.586 0.400 . 1 . . . B 108 LEU CD2 . 25230 1 641 . 2 2 10 10 LEU N N 15 121.708 0.400 . 1 . . . B 108 LEU N . 25230 1 642 . 2 2 11 11 THR H H 1 7.656 0.020 . 1 . . . B 109 THR H . 25230 1 643 . 2 2 11 11 THR HA H 1 4.417 0.020 . 1 . . . B 109 THR HA . 25230 1 644 . 2 2 11 11 THR HB H 1 4.549 0.020 . 1 . . . B 109 THR HB . 25230 1 645 . 2 2 11 11 THR HG21 H 1 1.202 0.020 . 1 . . . B 109 THR HG21 . 25230 1 646 . 2 2 11 11 THR HG22 H 1 1.202 0.020 . 1 . . . B 109 THR HG22 . 25230 1 647 . 2 2 11 11 THR HG23 H 1 1.202 0.020 . 1 . . . B 109 THR HG23 . 25230 1 648 . 2 2 11 11 THR C C 13 175.296 0.400 . 1 . . . B 109 THR C . 25230 1 649 . 2 2 11 11 THR CA C 13 60.587 0.400 . 1 . . . B 109 THR CA . 25230 1 650 . 2 2 11 11 THR CB C 13 68.521 0.400 . 1 . . . B 109 THR CB . 25230 1 651 . 2 2 11 11 THR CG2 C 13 21.369 0.400 . 1 . . . B 109 THR CG2 . 25230 1 652 . 2 2 11 11 THR N N 15 106.043 0.400 . 1 . . . B 109 THR N . 25230 1 653 . 2 2 12 12 GLY H H 1 7.782 0.020 . 1 . . . B 110 GLY H . 25230 1 654 . 2 2 12 12 GLY HA2 H 1 3.585 0.020 . 2 . . . B 110 GLY HA2 . 25230 1 655 . 2 2 12 12 GLY HA3 H 1 4.293 0.020 . 2 . . . B 110 GLY HA3 . 25230 1 656 . 2 2 12 12 GLY C C 13 173.863 0.400 . 1 . . . B 110 GLY C . 25230 1 657 . 2 2 12 12 GLY CA C 13 44.969 0.400 . 1 . . . B 110 GLY CA . 25230 1 658 . 2 2 12 12 GLY N N 15 109.173 0.400 . 1 . . . B 110 GLY N . 25230 1 659 . 2 2 13 13 LYS H H 1 7.319 0.020 . 1 . . . B 111 LYS H . 25230 1 660 . 2 2 13 13 LYS HA H 1 4.341 0.020 . 1 . . . B 111 LYS HA . 25230 1 661 . 2 2 13 13 LYS HB2 H 1 1.710 0.020 . 1 . . . B 111 LYS HB2 . 25230 1 662 . 2 2 13 13 LYS HB3 H 1 1.710 0.020 . 1 . . . B 111 LYS HB3 . 25230 1 663 . 2 2 13 13 LYS HG2 H 1 1.161 0.020 . 2 . . . B 111 LYS HG2 . 25230 1 664 . 2 2 13 13 LYS HG3 H 1 1.343 0.020 . 2 . . . B 111 LYS HG3 . 25230 1 665 . 2 2 13 13 LYS HD2 H 1 1.539 0.020 . 1 . . . B 111 LYS HD2 . 25230 1 666 . 2 2 13 13 LYS HD3 H 1 1.539 0.020 . 1 . . . B 111 LYS HD3 . 25230 1 667 . 2 2 13 13 LYS HE2 H 1 2.871 0.020 . 1 . . . B 111 LYS HE2 . 25230 1 668 . 2 2 13 13 LYS HE3 H 1 2.871 0.020 . 1 . . . B 111 LYS HE3 . 25230 1 669 . 2 2 13 13 LYS C C 13 175.606 0.400 . 1 . . . B 111 LYS C . 25230 1 670 . 2 2 13 13 LYS CA C 13 55.596 0.400 . 1 . . . B 111 LYS CA . 25230 1 671 . 2 2 13 13 LYS CB C 13 33.178 0.400 . 1 . . . B 111 LYS CB . 25230 1 672 . 2 2 13 13 LYS CG C 13 24.558 0.400 . 1 . . . B 111 LYS CG . 25230 1 673 . 2 2 13 13 LYS CD C 13 28.763 0.400 . 1 . . . B 111 LYS CD . 25230 1 674 . 2 2 13 13 LYS CE C 13 41.258 0.400 . 1 . . . B 111 LYS CE . 25230 1 675 . 2 2 13 13 LYS N N 15 121.947 0.400 . 1 . . . B 111 LYS N . 25230 1 676 . 2 2 14 14 THR H H 1 8.630 0.020 . 1 . . . B 112 THR H . 25230 1 677 . 2 2 14 14 THR HA H 1 4.926 0.020 . 1 . . . B 112 THR HA . 25230 1 678 . 2 2 14 14 THR HB H 1 3.850 0.020 . 1 . . . B 112 THR HB . 25230 1 679 . 2 2 14 14 THR HG21 H 1 0.956 0.020 . 1 . . . B 112 THR HG21 . 25230 1 680 . 2 2 14 14 THR HG22 H 1 0.956 0.020 . 1 . . . B 112 THR HG22 . 25230 1 681 . 2 2 14 14 THR HG23 H 1 0.956 0.020 . 1 . . . B 112 THR HG23 . 25230 1 682 . 2 2 14 14 THR C C 13 173.978 0.400 . 1 . . . B 112 THR C . 25230 1 683 . 2 2 14 14 THR CA C 13 61.740 0.400 . 1 . . . B 112 THR CA . 25230 1 684 . 2 2 14 14 THR CB C 13 69.416 0.400 . 1 . . . B 112 THR CB . 25230 1 685 . 2 2 14 14 THR CG2 C 13 21.177 0.400 . 1 . . . B 112 THR CG2 . 25230 1 686 . 2 2 14 14 THR N N 15 120.638 0.400 . 1 . . . B 112 THR N . 25230 1 687 . 2 2 15 15 ILE H H 1 9.646 0.020 . 1 . . . B 113 ILE H . 25230 1 688 . 2 2 15 15 ILE HA H 1 4.309 0.020 . 1 . . . B 113 ILE HA . 25230 1 689 . 2 2 15 15 ILE HB H 1 1.779 0.020 . 1 . . . B 113 ILE HB . 25230 1 690 . 2 2 15 15 ILE HG12 H 1 1.432 0.020 . 2 . . . B 113 ILE HG12 . 25230 1 691 . 2 2 15 15 ILE HG13 H 1 1.015 0.020 . 2 . . . B 113 ILE HG13 . 25230 1 692 . 2 2 15 15 ILE HG21 H 1 0.812 0.020 . 1 . . . B 113 ILE HG21 . 25230 1 693 . 2 2 15 15 ILE HG22 H 1 0.812 0.020 . 1 . . . B 113 ILE HG22 . 25230 1 694 . 2 2 15 15 ILE HG23 H 1 0.812 0.020 . 1 . . . B 113 ILE HG23 . 25230 1 695 . 2 2 15 15 ILE HD11 H 1 0.648 0.020 . 1 . . . B 113 ILE HD11 . 25230 1 696 . 2 2 15 15 ILE HD12 H 1 0.648 0.020 . 1 . . . B 113 ILE HD12 . 25230 1 697 . 2 2 15 15 ILE HD13 H 1 0.648 0.020 . 1 . . . B 113 ILE HD13 . 25230 1 698 . 2 2 15 15 ILE C C 13 175.249 0.400 . 1 . . . B 113 ILE C . 25230 1 699 . 2 2 15 15 ILE CA C 13 59.668 0.400 . 1 . . . B 113 ILE CA . 25230 1 700 . 2 2 15 15 ILE CB C 13 40.170 0.400 . 1 . . . B 113 ILE CB . 25230 1 701 . 2 2 15 15 ILE CG1 C 13 26.667 0.400 . 1 . . . B 113 ILE CG1 . 25230 1 702 . 2 2 15 15 ILE CG2 C 13 17.198 0.400 . 1 . . . B 113 ILE CG2 . 25230 1 703 . 2 2 15 15 ILE CD1 C 13 14.125 0.400 . 1 . . . B 113 ILE CD1 . 25230 1 704 . 2 2 15 15 ILE N N 15 129.748 0.400 . 1 . . . B 113 ILE N . 25230 1 705 . 2 2 16 16 THR H H 1 8.867 0.020 . 1 . . . B 114 THR H . 25230 1 706 . 2 2 16 16 THR HA H 1 4.919 0.020 . 1 . . . B 114 THR HA . 25230 1 707 . 2 2 16 16 THR HB H 1 3.975 0.020 . 1 . . . B 114 THR HB . 25230 1 708 . 2 2 16 16 THR HG21 H 1 1.085 0.020 . 1 . . . B 114 THR HG21 . 25230 1 709 . 2 2 16 16 THR HG22 H 1 1.085 0.020 . 1 . . . B 114 THR HG22 . 25230 1 710 . 2 2 16 16 THR HG23 H 1 1.085 0.020 . 1 . . . B 114 THR HG23 . 25230 1 711 . 2 2 16 16 THR C C 13 173.585 0.400 . 1 . . . B 114 THR C . 25230 1 712 . 2 2 16 16 THR CA C 13 61.816 0.400 . 1 . . . B 114 THR CA . 25230 1 713 . 2 2 16 16 THR CB C 13 69.058 0.400 . 1 . . . B 114 THR CB . 25230 1 714 . 2 2 16 16 THR CG2 C 13 21.195 0.400 . 1 . . . B 114 THR CG2 . 25230 1 715 . 2 2 16 16 THR N N 15 123.552 0.400 . 1 . . . B 114 THR N . 25230 1 716 . 2 2 17 17 LEU H H 1 8.780 0.020 . 1 . . . B 115 LEU H . 25230 1 717 . 2 2 17 17 LEU HA H 1 4.752 0.020 . 1 . . . B 115 LEU HA . 25230 1 718 . 2 2 17 17 LEU HB2 H 1 1.142 0.020 . 2 . . . B 115 LEU HB2 . 25230 1 719 . 2 2 17 17 LEU HB3 H 1 1.322 0.020 . 2 . . . B 115 LEU HB3 . 25230 1 720 . 2 2 17 17 LEU HG H 1 1.386 0.020 . 1 . . . B 115 LEU HG . 25230 1 721 . 2 2 17 17 LEU HD11 H 1 0.673 0.020 . 2 . . . B 115 LEU HD11 . 25230 1 722 . 2 2 17 17 LEU HD12 H 1 0.673 0.020 . 2 . . . B 115 LEU HD12 . 25230 1 723 . 2 2 17 17 LEU HD13 H 1 0.673 0.020 . 2 . . . B 115 LEU HD13 . 25230 1 724 . 2 2 17 17 LEU HD21 H 1 0.719 0.020 . 2 . . . B 115 LEU HD21 . 25230 1 725 . 2 2 17 17 LEU HD22 H 1 0.719 0.020 . 2 . . . B 115 LEU HD22 . 25230 1 726 . 2 2 17 17 LEU HD23 H 1 0.719 0.020 . 2 . . . B 115 LEU HD23 . 25230 1 727 . 2 2 17 17 LEU C C 13 174.727 0.400 . 1 . . . B 115 LEU C . 25230 1 728 . 2 2 17 17 LEU CA C 13 52.161 0.400 . 1 . . . B 115 LEU CA . 25230 1 729 . 2 2 17 17 LEU CB C 13 45.911 0.400 . 1 . . . B 115 LEU CB . 25230 1 730 . 2 2 17 17 LEU CG C 13 26.282 0.400 . 1 . . . B 115 LEU CG . 25230 1 731 . 2 2 17 17 LEU CD1 C 13 26.727 0.400 . 1 . . . B 115 LEU CD1 . 25230 1 732 . 2 2 17 17 LEU CD2 C 13 23.635 0.400 . 1 . . . B 115 LEU CD2 . 25230 1 733 . 2 2 17 17 LEU N N 15 125.231 0.400 . 1 . . . B 115 LEU N . 25230 1 734 . 2 2 18 18 GLU H H 1 8.188 0.020 . 1 . . . B 116 GLU H . 25230 1 735 . 2 2 18 18 GLU HA H 1 4.851 0.020 . 1 . . . B 116 GLU HA . 25230 1 736 . 2 2 18 18 GLU HB2 H 1 1.798 0.020 . 1 . . . B 116 GLU HB2 . 25230 1 737 . 2 2 18 18 GLU HB3 H 1 1.798 0.020 . 1 . . . B 116 GLU HB3 . 25230 1 738 . 2 2 18 18 GLU HG2 H 1 2.022 0.020 . 2 . . . B 116 GLU HG2 . 25230 1 739 . 2 2 18 18 GLU HG3 H 1 2.129 0.020 . 2 . . . B 116 GLU HG3 . 25230 1 740 . 2 2 18 18 GLU C C 13 175.813 0.400 . 1 . . . B 116 GLU C . 25230 1 741 . 2 2 18 18 GLU CA C 13 55.010 0.400 . 1 . . . B 116 GLU CA . 25230 1 742 . 2 2 18 18 GLU CB C 13 29.731 0.400 . 1 . . . B 116 GLU CB . 25230 1 743 . 2 2 18 18 GLU CG C 13 36.185 0.400 . 1 . . . B 116 GLU CG . 25230 1 744 . 2 2 18 18 GLU N N 15 121.943 0.400 . 1 . . . B 116 GLU N . 25230 1 745 . 2 2 19 19 VAL H H 1 8.813 0.020 . 1 . . . B 117 VAL H . 25230 1 746 . 2 2 19 19 VAL HA H 1 4.701 0.020 . 1 . . . B 117 VAL HA . 25230 1 747 . 2 2 19 19 VAL HB H 1 2.324 0.020 . 1 . . . B 117 VAL HB . 25230 1 748 . 2 2 19 19 VAL HG11 H 1 0.376 0.020 . 2 . . . B 117 VAL HG11 . 25230 1 749 . 2 2 19 19 VAL HG12 H 1 0.376 0.020 . 2 . . . B 117 VAL HG12 . 25230 1 750 . 2 2 19 19 VAL HG13 H 1 0.376 0.020 . 2 . . . B 117 VAL HG13 . 25230 1 751 . 2 2 19 19 VAL HG21 H 1 0.641 0.020 . 2 . . . B 117 VAL HG21 . 25230 1 752 . 2 2 19 19 VAL HG22 H 1 0.641 0.020 . 2 . . . B 117 VAL HG22 . 25230 1 753 . 2 2 19 19 VAL HG23 H 1 0.641 0.020 . 2 . . . B 117 VAL HG23 . 25230 1 754 . 2 2 19 19 VAL C C 13 173.657 0.400 . 1 . . . B 117 VAL C . 25230 1 755 . 2 2 19 19 VAL CA C 13 58.259 0.400 . 1 . . . B 117 VAL CA . 25230 1 756 . 2 2 19 19 VAL CB C 13 36.157 0.400 . 1 . . . B 117 VAL CB . 25230 1 757 . 2 2 19 19 VAL CG1 C 13 18.931 0.400 . 1 . . . B 117 VAL CG1 . 25230 1 758 . 2 2 19 19 VAL CG2 C 13 21.547 0.400 . 1 . . . B 117 VAL CG2 . 25230 1 759 . 2 2 19 19 VAL N N 15 116.641 0.400 . 1 . . . B 117 VAL N . 25230 1 760 . 2 2 20 20 GLU H H 1 8.592 0.020 . 1 . . . B 118 GLU H . 25230 1 761 . 2 2 20 20 GLU HA H 1 4.893 0.020 . 1 . . . B 118 GLU HA . 25230 1 762 . 2 2 20 20 GLU HB2 H 1 1.576 0.020 . 2 . . . B 118 GLU HB2 . 25230 1 763 . 2 2 20 20 GLU HB3 H 1 1.968 0.020 . 2 . . . B 118 GLU HB3 . 25230 1 764 . 2 2 20 20 GLU HG2 H 1 1.944 0.020 . 2 . . . B 118 GLU HG2 . 25230 1 765 . 2 2 20 20 GLU HG3 H 1 2.085 0.020 . 2 . . . B 118 GLU HG3 . 25230 1 766 . 2 2 20 20 GLU CA C 13 53.034 0.400 . 1 . . . B 118 GLU CA . 25230 1 767 . 2 2 20 20 GLU CB C 13 31.029 0.400 . 1 . . . B 118 GLU CB . 25230 1 768 . 2 2 20 20 GLU CG C 13 35.912 0.400 . 1 . . . B 118 GLU CG . 25230 1 769 . 2 2 20 20 GLU N N 15 118.601 0.400 . 1 . . . B 118 GLU N . 25230 1 770 . 2 2 21 21 PRO HA H 1 4.064 0.020 . 1 . . . B 119 PRO HA . 25230 1 771 . 2 2 21 21 PRO HB2 H 1 1.933 0.020 . 2 . . . B 119 PRO HB2 . 25230 1 772 . 2 2 21 21 PRO HB3 H 1 2.356 0.020 . 2 . . . B 119 PRO HB3 . 25230 1 773 . 2 2 21 21 PRO HG2 H 1 1.984 0.020 . 2 . . . B 119 PRO HG2 . 25230 1 774 . 2 2 21 21 PRO HG3 H 1 2.126 0.020 . 2 . . . B 119 PRO HG3 . 25230 1 775 . 2 2 21 21 PRO HD2 H 1 3.779 0.020 . 1 . . . B 119 PRO HD2 . 25230 1 776 . 2 2 21 21 PRO HD3 H 1 3.779 0.020 . 1 . . . B 119 PRO HD3 . 25230 1 777 . 2 2 21 21 PRO C C 13 175.113 0.400 . 1 . . . B 119 PRO C . 25230 1 778 . 2 2 21 21 PRO CA C 13 65.013 0.400 . 1 . . . B 119 PRO CA . 25230 1 779 . 2 2 21 21 PRO CB C 13 31.437 0.400 . 1 . . . B 119 PRO CB . 25230 1 780 . 2 2 21 21 PRO CG C 13 27.536 0.400 . 1 . . . B 119 PRO CG . 25230 1 781 . 2 2 21 21 PRO CD C 13 50.165 0.400 . 1 . . . B 119 PRO CD . 25230 1 782 . 2 2 22 22 SER H H 1 7.114 0.020 . 1 . . . B 120 SER H . 25230 1 783 . 2 2 22 22 SER HA H 1 4.316 0.020 . 1 . . . B 120 SER HA . 25230 1 784 . 2 2 22 22 SER HB2 H 1 3.745 0.020 . 2 . . . B 120 SER HB2 . 25230 1 785 . 2 2 22 22 SER HB3 H 1 4.068 0.020 . 2 . . . B 120 SER HB3 . 25230 1 786 . 2 2 22 22 SER C C 13 180.310 0.400 . 1 . . . B 120 SER C . 25230 1 787 . 2 2 22 22 SER CA C 13 56.706 0.400 . 1 . . . B 120 SER CA . 25230 1 788 . 2 2 22 22 SER CB C 13 62.896 0.400 . 1 . . . B 120 SER CB . 25230 1 789 . 2 2 22 22 SER N N 15 103.772 0.400 . 1 . . . B 120 SER N . 25230 1 790 . 2 2 23 23 ASP H H 1 8.034 0.020 . 1 . . . B 121 ASP H . 25230 1 791 . 2 2 23 23 ASP HA H 1 4.628 0.020 . 1 . . . B 121 ASP HA . 25230 1 792 . 2 2 23 23 ASP HB2 H 1 2.465 0.020 . 2 . . . B 121 ASP HB2 . 25230 1 793 . 2 2 23 23 ASP HB3 H 1 2.896 0.020 . 2 . . . B 121 ASP HB3 . 25230 1 794 . 2 2 23 23 ASP C C 13 176.137 0.400 . 1 . . . B 121 ASP C . 25230 1 795 . 2 2 23 23 ASP CA C 13 55.619 0.400 . 1 . . . B 121 ASP CA . 25230 1 796 . 2 2 23 23 ASP CB C 13 40.516 0.400 . 1 . . . B 121 ASP CB . 25230 1 797 . 2 2 23 23 ASP N N 15 123.929 0.400 . 1 . . . B 121 ASP N . 25230 1 798 . 2 2 24 24 THR H H 1 7.850 0.020 . 1 . . . B 122 THR H . 25230 1 799 . 2 2 24 24 THR HA H 1 4.889 0.020 . 1 . . . B 122 THR HA . 25230 1 800 . 2 2 24 24 THR HB H 1 4.801 0.020 . 1 . . . B 122 THR HB . 25230 1 801 . 2 2 24 24 THR HG21 H 1 1.208 0.020 . 1 . . . B 122 THR HG21 . 25230 1 802 . 2 2 24 24 THR HG22 H 1 1.208 0.020 . 1 . . . B 122 THR HG22 . 25230 1 803 . 2 2 24 24 THR HG23 H 1 1.208 0.020 . 1 . . . B 122 THR HG23 . 25230 1 804 . 2 2 24 24 THR C C 13 176.629 0.400 . 1 . . . B 122 THR C . 25230 1 805 . 2 2 24 24 THR CA C 13 59.012 0.400 . 1 . . . B 122 THR CA . 25230 1 806 . 2 2 24 24 THR CB C 13 70.651 0.400 . 1 . . . B 122 THR CB . 25230 1 807 . 2 2 24 24 THR CG2 C 13 21.672 0.400 . 1 . . . B 122 THR CG2 . 25230 1 808 . 2 2 24 24 THR N N 15 108.706 0.400 . 1 . . . B 122 THR N . 25230 1 809 . 2 2 25 25 ILE H H 1 8.586 0.020 . 1 . . . B 123 ILE H . 25230 1 810 . 2 2 25 25 ILE HA H 1 3.630 0.020 . 1 . . . B 123 ILE HA . 25230 1 811 . 2 2 25 25 ILE HB H 1 2.573 0.020 . 1 . . . B 123 ILE HB . 25230 1 812 . 2 2 25 25 ILE HG12 H 1 1.240 0.020 . 2 . . . B 123 ILE HG12 . 25230 1 813 . 2 2 25 25 ILE HG13 H 1 1.839 0.020 . 2 . . . B 123 ILE HG13 . 25230 1 814 . 2 2 25 25 ILE HG21 H 1 0.695 0.020 . 1 . . . B 123 ILE HG21 . 25230 1 815 . 2 2 25 25 ILE HG22 H 1 0.695 0.020 . 1 . . . B 123 ILE HG22 . 25230 1 816 . 2 2 25 25 ILE HG23 H 1 0.695 0.020 . 1 . . . B 123 ILE HG23 . 25230 1 817 . 2 2 25 25 ILE HD11 H 1 0.470 0.020 . 1 . . . B 123 ILE HD11 . 25230 1 818 . 2 2 25 25 ILE HD12 H 1 0.470 0.020 . 1 . . . B 123 ILE HD12 . 25230 1 819 . 2 2 25 25 ILE HD13 H 1 0.470 0.020 . 1 . . . B 123 ILE HD13 . 25230 1 820 . 2 2 25 25 ILE CA C 13 61.563 0.400 . 1 . . . B 123 ILE CA . 25230 1 821 . 2 2 25 25 ILE CB C 13 33.541 0.400 . 1 . . . B 123 ILE CB . 25230 1 822 . 2 2 25 25 ILE CG1 C 13 26.941 0.400 . 1 . . . B 123 ILE CG1 . 25230 1 823 . 2 2 25 25 ILE CG2 C 13 17.281 0.400 . 1 . . . B 123 ILE CG2 . 25230 1 824 . 2 2 25 25 ILE CD1 C 13 8.609 0.400 . 1 . . . B 123 ILE CD1 . 25230 1 825 . 2 2 25 25 ILE N N 15 121.629 0.400 . 1 . . . B 123 ILE N . 25230 1 826 . 2 2 26 26 GLU H H 1 9.676 0.020 . 1 . . . B 124 GLU H . 25230 1 827 . 2 2 26 26 GLU HA H 1 3.791 0.020 . 1 . . . B 124 GLU HA . 25230 1 828 . 2 2 26 26 GLU HB2 H 1 1.978 0.020 . 1 . . . B 124 GLU HB2 . 25230 1 829 . 2 2 26 26 GLU HB3 H 1 1.978 0.020 . 1 . . . B 124 GLU HB3 . 25230 1 830 . 2 2 26 26 GLU HG2 H 1 2.254 0.020 . 1 . . . B 124 GLU HG2 . 25230 1 831 . 2 2 26 26 GLU HG3 H 1 2.254 0.020 . 1 . . . B 124 GLU HG3 . 25230 1 832 . 2 2 26 26 GLU C C 13 178.650 0.400 . 1 . . . B 124 GLU C . 25230 1 833 . 2 2 26 26 GLU CA C 13 59.949 0.400 . 1 . . . B 124 GLU CA . 25230 1 834 . 2 2 26 26 GLU CB C 13 28.704 0.400 . 1 . . . B 124 GLU CB . 25230 1 835 . 2 2 26 26 GLU CG C 13 35.592 0.400 . 1 . . . B 124 GLU CG . 25230 1 836 . 2 2 27 27 ASN H H 1 7.963 0.020 . 1 . . . B 125 ASN H . 25230 1 837 . 2 2 27 27 ASN HA H 1 4.488 0.020 . 1 . . . B 125 ASN HA . 25230 1 838 . 2 2 27 27 ASN HB2 H 1 3.191 0.020 . 2 . . . B 125 ASN HB2 . 25230 1 839 . 2 2 27 27 ASN HB3 H 1 2.794 0.020 . 2 . . . B 125 ASN HB3 . 25230 1 840 . 2 2 27 27 ASN HD21 H 1 6.932 0.020 . 2 . . . B 125 ASN HD21 . 25230 1 841 . 2 2 27 27 ASN HD22 H 1 7.926 0.020 . 2 . . . B 125 ASN HD22 . 25230 1 842 . 2 2 27 27 ASN C C 13 178.196 0.400 . 1 . . . B 125 ASN C . 25230 1 843 . 2 2 27 27 ASN CA C 13 55.199 0.400 . 1 . . . B 125 ASN CA . 25230 1 844 . 2 2 27 27 ASN CB C 13 37.817 0.400 . 1 . . . B 125 ASN CB . 25230 1 845 . 2 2 27 27 ASN N N 15 120.836 0.400 . 1 . . . B 125 ASN N . 25230 1 846 . 2 2 27 27 ASN ND2 N 15 109.847 0.400 . 1 . . . B 125 ASN ND2 . 25230 1 847 . 2 2 28 28 VAL H H 1 8.143 0.020 . 1 . . . B 126 VAL H . 25230 1 848 . 2 2 28 28 VAL HA H 1 3.330 0.020 . 1 . . . B 126 VAL HA . 25230 1 849 . 2 2 28 28 VAL HB H 1 2.312 0.020 . 1 . . . B 126 VAL HB . 25230 1 850 . 2 2 28 28 VAL HG11 H 1 0.620 0.020 . 2 . . . B 126 VAL HG11 . 25230 1 851 . 2 2 28 28 VAL HG12 H 1 0.620 0.020 . 2 . . . B 126 VAL HG12 . 25230 1 852 . 2 2 28 28 VAL HG13 H 1 0.620 0.020 . 2 . . . B 126 VAL HG13 . 25230 1 853 . 2 2 28 28 VAL HG21 H 1 0.902 0.020 . 2 . . . B 126 VAL HG21 . 25230 1 854 . 2 2 28 28 VAL HG22 H 1 0.902 0.020 . 2 . . . B 126 VAL HG22 . 25230 1 855 . 2 2 28 28 VAL HG23 H 1 0.902 0.020 . 2 . . . B 126 VAL HG23 . 25230 1 856 . 2 2 28 28 VAL C C 13 177.573 0.400 . 1 . . . B 126 VAL C . 25230 1 857 . 2 2 28 28 VAL CA C 13 67.185 0.400 . 1 . . . B 126 VAL CA . 25230 1 858 . 2 2 28 28 VAL CB C 13 30.342 0.400 . 1 . . . B 126 VAL CB . 25230 1 859 . 2 2 28 28 VAL CG1 C 13 20.711 0.400 . 1 . . . B 126 VAL CG1 . 25230 1 860 . 2 2 28 28 VAL CG2 C 13 23.466 0.400 . 1 . . . B 126 VAL CG2 . 25230 1 861 . 2 2 28 28 VAL N N 15 122.382 0.400 . 1 . . . B 126 VAL N . 25230 1 862 . 2 2 29 29 LYS H H 1 8.527 0.020 . 1 . . . B 127 LYS H . 25230 1 863 . 2 2 29 29 LYS HA H 1 4.546 0.020 . 1 . . . B 127 LYS HA . 25230 1 864 . 2 2 29 29 LYS HB2 H 1 1.391 0.020 . 2 . . . B 127 LYS HB2 . 25230 1 865 . 2 2 29 29 LYS HB3 H 1 1.924 0.020 . 2 . . . B 127 LYS HB3 . 25230 1 866 . 2 2 29 29 LYS HG2 H 1 1.339 0.020 . 2 . . . B 127 LYS HG2 . 25230 1 867 . 2 2 29 29 LYS HG3 H 1 1.486 0.020 . 2 . . . B 127 LYS HG3 . 25230 1 868 . 2 2 29 29 LYS HD2 H 1 1.640 0.020 . 1 . . . B 127 LYS HD2 . 25230 1 869 . 2 2 29 29 LYS HD3 H 1 1.640 0.020 . 1 . . . B 127 LYS HD3 . 25230 1 870 . 2 2 29 29 LYS HE2 H 1 2.464 0.020 . 1 . . . B 127 LYS HE2 . 25230 1 871 . 2 2 29 29 LYS HE3 H 1 2.464 0.020 . 1 . . . B 127 LYS HE3 . 25230 1 872 . 2 2 29 29 LYS C C 13 174.617 0.400 . 1 . . . B 127 LYS C . 25230 1 873 . 2 2 29 29 LYS CA C 13 58.805 0.400 . 1 . . . B 127 LYS CA . 25230 1 874 . 2 2 29 29 LYS CB C 13 33.044 0.400 . 1 . . . B 127 LYS CB . 25230 1 875 . 2 2 29 29 LYS CG C 13 25.979 0.400 . 1 . . . B 127 LYS CG . 25230 1 876 . 2 2 29 29 LYS CD C 13 29.592 0.400 . 1 . . . B 127 LYS CD . 25230 1 877 . 2 2 29 29 LYS CE C 13 41.793 0.400 . 1 . . . B 127 LYS CE . 25230 1 878 . 2 2 29 29 LYS N N 15 119.423 0.400 . 1 . . . B 127 LYS N . 25230 1 879 . 2 2 30 30 ALA H H 1 8.072 0.020 . 1 . . . B 128 ALA H . 25230 1 880 . 2 2 30 30 ALA HA H 1 4.108 0.020 . 1 . . . B 128 ALA HA . 25230 1 881 . 2 2 30 30 ALA HB1 H 1 1.596 0.020 . 1 . . . B 128 ALA HB1 . 25230 1 882 . 2 2 30 30 ALA HB2 H 1 1.596 0.020 . 1 . . . B 128 ALA HB2 . 25230 1 883 . 2 2 30 30 ALA HB3 H 1 1.596 0.020 . 1 . . . B 128 ALA HB3 . 25230 1 884 . 2 2 30 30 ALA C C 13 180.134 0.400 . 1 . . . B 128 ALA C . 25230 1 885 . 2 2 30 30 ALA CA C 13 54.594 0.400 . 1 . . . B 128 ALA CA . 25230 1 886 . 2 2 30 30 ALA CB C 13 17.278 0.400 . 1 . . . B 128 ALA CB . 25230 1 887 . 2 2 30 30 ALA N N 15 123.834 0.400 . 1 . . . B 128 ALA N . 25230 1 888 . 2 2 31 31 LYS H H 1 8.012 0.020 . 1 . . . B 129 LYS H . 25230 1 889 . 2 2 31 31 LYS HA H 1 4.149 0.020 . 1 . . . B 129 LYS HA . 25230 1 890 . 2 2 31 31 LYS HB2 H 1 1.878 0.020 . 2 . . . B 129 LYS HB2 . 25230 1 891 . 2 2 31 31 LYS HB3 H 1 2.106 0.020 . 2 . . . B 129 LYS HB3 . 25230 1 892 . 2 2 31 31 LYS HG2 H 1 1.553 0.020 . 2 . . . B 129 LYS HG2 . 25230 1 893 . 2 2 31 31 LYS HG3 H 1 1.746 0.020 . 2 . . . B 129 LYS HG3 . 25230 1 894 . 2 2 31 31 LYS HD2 H 1 1.389 0.020 . 2 . . . B 129 LYS HD2 . 25230 1 895 . 2 2 31 31 LYS HD3 H 1 1.726 0.020 . 2 . . . B 129 LYS HD3 . 25230 1 896 . 2 2 31 31 LYS HE2 H 1 2.893 0.020 . 2 . . . B 129 LYS HE2 . 25230 1 897 . 2 2 31 31 LYS HE3 H 1 3.158 0.020 . 2 . . . B 129 LYS HE3 . 25230 1 898 . 2 2 31 31 LYS C C 13 180.234 0.400 . 1 . . . B 129 LYS C . 25230 1 899 . 2 2 31 31 LYS CA C 13 59.403 0.400 . 1 . . . B 129 LYS CA . 25230 1 900 . 2 2 31 31 LYS CB C 13 33.038 0.400 . 1 . . . B 129 LYS CB . 25230 1 901 . 2 2 31 31 LYS CG C 13 26.048 0.400 . 1 . . . B 129 LYS CG . 25230 1 902 . 2 2 31 31 LYS CD C 13 29.809 0.400 . 1 . . . B 129 LYS CD . 25230 1 903 . 2 2 31 31 LYS CE C 13 41.682 0.400 . 1 . . . B 129 LYS CE . 25230 1 904 . 2 2 31 31 LYS N N 15 120.848 0.400 . 1 . . . B 129 LYS N . 25230 1 905 . 2 2 32 32 ILE H H 1 8.329 0.020 . 1 . . . B 130 ILE H . 25230 1 906 . 2 2 32 32 ILE HA H 1 3.446 0.020 . 1 . . . B 130 ILE HA . 25230 1 907 . 2 2 32 32 ILE HB H 1 2.352 0.020 . 1 . . . B 130 ILE HB . 25230 1 908 . 2 2 32 32 ILE HG12 H 1 0.622 0.020 . 2 . . . B 130 ILE HG12 . 25230 1 909 . 2 2 32 32 ILE HG13 H 1 1.972 0.020 . 2 . . . B 130 ILE HG13 . 25230 1 910 . 2 2 32 32 ILE HG21 H 1 0.640 0.020 . 1 . . . B 130 ILE HG21 . 25230 1 911 . 2 2 32 32 ILE HG22 H 1 0.640 0.020 . 1 . . . B 130 ILE HG22 . 25230 1 912 . 2 2 32 32 ILE HG23 H 1 0.640 0.020 . 1 . . . B 130 ILE HG23 . 25230 1 913 . 2 2 32 32 ILE HD11 H 1 0.848 0.020 . 1 . . . B 130 ILE HD11 . 25230 1 914 . 2 2 32 32 ILE HD12 H 1 0.848 0.020 . 1 . . . B 130 ILE HD12 . 25230 1 915 . 2 2 32 32 ILE HD13 H 1 0.848 0.020 . 1 . . . B 130 ILE HD13 . 25230 1 916 . 2 2 32 32 ILE C C 13 178.081 0.400 . 1 . . . B 130 ILE C . 25230 1 917 . 2 2 32 32 ILE CA C 13 65.896 0.400 . 1 . . . B 130 ILE CA . 25230 1 918 . 2 2 32 32 ILE CB C 13 36.280 0.400 . 1 . . . B 130 ILE CB . 25230 1 919 . 2 2 32 32 ILE CG1 C 13 30.877 0.400 . 1 . . . B 130 ILE CG1 . 25230 1 920 . 2 2 32 32 ILE CG2 C 13 16.709 0.400 . 1 . . . B 130 ILE CG2 . 25230 1 921 . 2 2 32 32 ILE CD1 C 13 14.206 0.400 . 1 . . . B 130 ILE CD1 . 25230 1 922 . 2 2 32 32 ILE N N 15 121.737 0.400 . 1 . . . B 130 ILE N . 25230 1 923 . 2 2 33 33 GLN H H 1 8.494 0.020 . 1 . . . B 131 GLN H . 25230 1 924 . 2 2 33 33 GLN HA H 1 3.792 0.020 . 1 . . . B 131 GLN HA . 25230 1 925 . 2 2 33 33 GLN HB2 H 1 1.959 0.020 . 2 . . . B 131 GLN HB2 . 25230 1 926 . 2 2 33 33 GLN HB3 H 1 2.492 0.020 . 2 . . . B 131 GLN HB3 . 25230 1 927 . 2 2 33 33 GLN HG2 H 1 2.209 0.020 . 2 . . . B 131 GLN HG2 . 25230 1 928 . 2 2 33 33 GLN HG3 H 1 1.874 0.020 . 2 . . . B 131 GLN HG3 . 25230 1 929 . 2 2 33 33 GLN HE21 H 1 7.661 0.020 . 2 . . . B 131 GLN HE21 . 25230 1 930 . 2 2 33 33 GLN HE22 H 1 6.849 0.020 . 2 . . . B 131 GLN HE22 . 25230 1 931 . 2 2 33 33 GLN C C 13 178.841 0.400 . 1 . . . B 131 GLN C . 25230 1 932 . 2 2 33 33 GLN CA C 13 59.553 0.400 . 1 . . . B 131 GLN CA . 25230 1 933 . 2 2 33 33 GLN CB C 13 27.202 0.400 . 1 . . . B 131 GLN CB . 25230 1 934 . 2 2 33 33 GLN CG C 13 33.228 0.400 . 1 . . . B 131 GLN CG . 25230 1 935 . 2 2 33 33 GLN N N 15 123.755 0.400 . 1 . . . B 131 GLN N . 25230 1 936 . 2 2 33 33 GLN NE2 N 15 110.359 0.400 . 1 . . . B 131 GLN NE2 . 25230 1 937 . 2 2 34 34 ASP H H 1 8.151 0.020 . 1 . . . B 132 ASP H . 25230 1 938 . 2 2 34 34 ASP HA H 1 4.273 0.020 . 1 . . . B 132 ASP HA . 25230 1 939 . 2 2 34 34 ASP HB2 H 1 2.763 0.020 . 1 . . . B 132 ASP HB2 . 25230 1 940 . 2 2 34 34 ASP HB3 H 1 2.763 0.020 . 1 . . . B 132 ASP HB3 . 25230 1 941 . 2 2 34 34 ASP C C 13 177.332 0.400 . 1 . . . B 132 ASP C . 25230 1 942 . 2 2 34 34 ASP CA C 13 56.749 0.400 . 1 . . . B 132 ASP CA . 25230 1 943 . 2 2 34 34 ASP CB C 13 40.595 0.400 . 1 . . . B 132 ASP CB . 25230 1 944 . 2 2 34 34 ASP N N 15 120.339 0.400 . 1 . . . B 132 ASP N . 25230 1 945 . 2 2 35 35 LYS H H 1 7.511 0.020 . 1 . . . B 133 LYS H . 25230 1 946 . 2 2 35 35 LYS HA H 1 4.229 0.020 . 1 . . . B 133 LYS HA . 25230 1 947 . 2 2 35 35 LYS HB2 H 1 1.979 0.020 . 2 . . . B 133 LYS HB2 . 25230 1 948 . 2 2 35 35 LYS HB3 H 1 1.799 0.020 . 2 . . . B 133 LYS HB3 . 25230 1 949 . 2 2 35 35 LYS HG2 H 1 1.551 0.020 . 1 . . . B 133 LYS HG2 . 25230 1 950 . 2 2 35 35 LYS HG3 H 1 1.551 0.020 . 1 . . . B 133 LYS HG3 . 25230 1 951 . 2 2 35 35 LYS HD2 H 1 1.650 0.020 . 1 . . . B 133 LYS HD2 . 25230 1 952 . 2 2 35 35 LYS HD3 H 1 1.650 0.020 . 1 . . . B 133 LYS HD3 . 25230 1 953 . 2 2 35 35 LYS HE2 H 1 3.099 0.020 . 1 . . . B 133 LYS HE2 . 25230 1 954 . 2 2 35 35 LYS HE3 H 1 3.099 0.020 . 1 . . . B 133 LYS HE3 . 25230 1 955 . 2 2 35 35 LYS C C 13 177.835 0.400 . 1 . . . B 133 LYS C . 25230 1 956 . 2 2 35 35 LYS CA C 13 57.928 0.400 . 1 . . . B 133 LYS CA . 25230 1 957 . 2 2 35 35 LYS CB C 13 33.553 0.400 . 1 . . . B 133 LYS CB . 25230 1 958 . 2 2 35 35 LYS CG C 13 24.881 0.400 . 1 . . . B 133 LYS CG . 25230 1 959 . 2 2 35 35 LYS CD C 13 28.373 0.400 . 1 . . . B 133 LYS CD . 25230 1 960 . 2 2 35 35 LYS CE C 13 41.520 0.400 . 1 . . . B 133 LYS CE . 25230 1 961 . 2 2 35 35 LYS N N 15 115.719 0.400 . 1 . . . B 133 LYS N . 25230 1 962 . 2 2 36 36 GLU H H 1 8.717 0.020 . 1 . . . B 134 GLU H . 25230 1 963 . 2 2 36 36 GLU HA H 1 4.495 0.020 . 1 . . . B 134 GLU HA . 25230 1 964 . 2 2 36 36 GLU HB2 H 1 1.612 0.020 . 2 . . . B 134 GLU HB2 . 25230 1 965 . 2 2 36 36 GLU HB3 H 1 2.227 0.020 . 2 . . . B 134 GLU HB3 . 25230 1 966 . 2 2 36 36 GLU HG2 H 1 2.054 0.020 . 1 . . . B 134 GLU HG2 . 25230 1 967 . 2 2 36 36 GLU HG3 H 1 2.054 0.020 . 1 . . . B 134 GLU HG3 . 25230 1 968 . 2 2 36 36 GLU C C 13 177.837 0.400 . 1 . . . B 134 GLU C . 25230 1 969 . 2 2 36 36 GLU CA C 13 54.565 0.400 . 1 . . . B 134 GLU CA . 25230 1 970 . 2 2 36 36 GLU CB C 13 32.939 0.400 . 1 . . . B 134 GLU CB . 25230 1 971 . 2 2 36 36 GLU CG C 13 35.877 0.400 . 1 . . . B 134 GLU CG . 25230 1 972 . 2 2 36 36 GLU N N 15 113.820 0.400 . 1 . . . B 134 GLU N . 25230 1 973 . 2 2 37 37 GLY H H 1 8.553 0.020 . 1 . . . B 135 GLY H . 25230 1 974 . 2 2 37 37 GLY HA2 H 1 4.081 0.020 . 2 . . . B 135 GLY HA2 . 25230 1 975 . 2 2 37 37 GLY HA3 H 1 3.853 0.020 . 2 . . . B 135 GLY HA3 . 25230 1 976 . 2 2 37 37 GLY C C 13 173.876 0.400 . 1 . . . B 135 GLY C . 25230 1 977 . 2 2 37 37 GLY CA C 13 45.743 0.400 . 1 . . . B 135 GLY CA . 25230 1 978 . 2 2 37 37 GLY N N 15 109.443 0.400 . 1 . . . B 135 GLY N . 25230 1 979 . 2 2 38 38 ILE H H 1 6.143 0.020 . 1 . . . B 136 ILE H . 25230 1 980 . 2 2 38 38 ILE HA H 1 4.344 0.020 . 1 . . . B 136 ILE HA . 25230 1 981 . 2 2 38 38 ILE HB H 1 1.378 0.020 . 1 . . . B 136 ILE HB . 25230 1 982 . 2 2 38 38 ILE HG12 H 1 1.057 0.020 . 2 . . . B 136 ILE HG12 . 25230 1 983 . 2 2 38 38 ILE HG13 H 1 1.347 0.020 . 2 . . . B 136 ILE HG13 . 25230 1 984 . 2 2 38 38 ILE HG21 H 1 0.904 0.020 . 1 . . . B 136 ILE HG21 . 25230 1 985 . 2 2 38 38 ILE HG22 H 1 0.904 0.020 . 1 . . . B 136 ILE HG22 . 25230 1 986 . 2 2 38 38 ILE HG23 H 1 0.904 0.020 . 1 . . . B 136 ILE HG23 . 25230 1 987 . 2 2 38 38 ILE HD11 H 1 0.728 0.020 . 1 . . . B 136 ILE HD11 . 25230 1 988 . 2 2 38 38 ILE HD12 H 1 0.728 0.020 . 1 . . . B 136 ILE HD12 . 25230 1 989 . 2 2 38 38 ILE HD13 H 1 0.728 0.020 . 1 . . . B 136 ILE HD13 . 25230 1 990 . 2 2 38 38 ILE CA C 13 57.321 0.400 . 1 . . . B 136 ILE CA . 25230 1 991 . 2 2 38 38 ILE CB C 13 40.177 0.400 . 1 . . . B 136 ILE CB . 25230 1 992 . 2 2 38 38 ILE CG1 C 13 26.479 0.400 . 1 . . . B 136 ILE CG1 . 25230 1 993 . 2 2 38 38 ILE CG2 C 13 17.711 0.400 . 1 . . . B 136 ILE CG2 . 25230 1 994 . 2 2 38 38 ILE CD1 C 13 13.022 0.400 . 1 . . . B 136 ILE CD1 . 25230 1 995 . 2 2 38 38 ILE N N 15 120.574 0.400 . 1 . . . B 136 ILE N . 25230 1 996 . 2 2 39 39 PRO HA H 1 4.573 0.020 . 1 . . . B 137 PRO HA . 25230 1 997 . 2 2 39 39 PRO HB2 H 1 1.923 0.020 . 2 . . . B 137 PRO HB2 . 25230 1 998 . 2 2 39 39 PRO HB3 H 1 2.359 0.020 . 2 . . . B 137 PRO HB3 . 25230 1 999 . 2 2 39 39 PRO HG2 H 1 2.014 0.020 . 1 . . . B 137 PRO HG2 . 25230 1 1000 . 2 2 39 39 PRO HG3 H 1 2.014 0.020 . 1 . . . B 137 PRO HG3 . 25230 1 1001 . 2 2 39 39 PRO HD2 H 1 4.121 0.020 . 2 . . . B 137 PRO HD2 . 25230 1 1002 . 2 2 39 39 PRO HD3 H 1 3.514 0.020 . 2 . . . B 137 PRO HD3 . 25230 1 1003 . 2 2 39 39 PRO CA C 13 61.074 0.400 . 1 . . . B 137 PRO CA . 25230 1 1004 . 2 2 39 39 PRO CB C 13 31.409 0.400 . 1 . . . B 137 PRO CB . 25230 1 1005 . 2 2 39 39 PRO CG C 13 27.771 0.400 . 1 . . . B 137 PRO CG . 25230 1 1006 . 2 2 39 39 PRO CD C 13 50.468 0.400 . 1 . . . B 137 PRO CD . 25230 1 1007 . 2 2 40 40 PRO HA H 1 4.072 0.020 . 1 . . . B 138 PRO HA . 25230 1 1008 . 2 2 40 40 PRO HB2 H 1 2.171 0.020 . 2 . . . B 138 PRO HB2 . 25230 1 1009 . 2 2 40 40 PRO HB3 H 1 1.947 0.020 . 2 . . . B 138 PRO HB3 . 25230 1 1010 . 2 2 40 40 PRO HG2 H 1 1.588 0.020 . 2 . . . B 138 PRO HG2 . 25230 1 1011 . 2 2 40 40 PRO HG3 H 1 2.126 0.020 . 2 . . . B 138 PRO HG3 . 25230 1 1012 . 2 2 40 40 PRO HD2 H 1 3.699 0.020 . 1 . . . B 138 PRO HD2 . 25230 1 1013 . 2 2 40 40 PRO HD3 H 1 3.699 0.020 . 1 . . . B 138 PRO HD3 . 25230 1 1014 . 2 2 40 40 PRO C C 13 178.240 0.400 . 1 . . . B 138 PRO C . 25230 1 1015 . 2 2 40 40 PRO CA C 13 65.508 0.400 . 1 . . . B 138 PRO CA . 25230 1 1016 . 2 2 40 40 PRO CB C 13 32.610 0.400 . 1 . . . B 138 PRO CB . 25230 1 1017 . 2 2 40 40 PRO CG C 13 27.208 0.400 . 1 . . . B 138 PRO CG . 25230 1 1018 . 2 2 40 40 PRO CD C 13 50.729 0.400 . 1 . . . B 138 PRO CD . 25230 1 1019 . 2 2 41 41 ASP H H 1 8.564 0.020 . 1 . . . B 139 ASP H . 25230 1 1020 . 2 2 41 41 ASP HA H 1 4.349 0.020 . 1 . . . B 139 ASP HA . 25230 1 1021 . 2 2 41 41 ASP HB2 H 1 2.622 0.020 . 2 . . . B 139 ASP HB2 . 25230 1 1022 . 2 2 41 41 ASP HB3 H 1 2.748 0.020 . 2 . . . B 139 ASP HB3 . 25230 1 1023 . 2 2 41 41 ASP C C 13 177.200 0.400 . 1 . . . B 139 ASP C . 25230 1 1024 . 2 2 41 41 ASP CA C 13 55.011 0.400 . 1 . . . B 139 ASP CA . 25230 1 1025 . 2 2 41 41 ASP CB C 13 39.308 0.400 . 1 . . . B 139 ASP CB . 25230 1 1026 . 2 2 41 41 ASP N N 15 113.663 0.400 . 1 . . . B 139 ASP N . 25230 1 1027 . 2 2 42 42 GLN H H 1 7.732 0.020 . 1 . . . B 140 GLN H . 25230 1 1028 . 2 2 42 42 GLN HA H 1 4.449 0.020 . 1 . . . B 140 GLN HA . 25230 1 1029 . 2 2 42 42 GLN HB2 H 1 2.357 0.020 . 2 . . . B 140 GLN HB2 . 25230 1 1030 . 2 2 42 42 GLN HB3 H 1 1.797 0.020 . 2 . . . B 140 GLN HB3 . 25230 1 1031 . 2 2 42 42 GLN HG2 H 1 2.375 0.020 . 1 . . . B 140 GLN HG2 . 25230 1 1032 . 2 2 42 42 GLN HG3 H 1 2.375 0.020 . 1 . . . B 140 GLN HG3 . 25230 1 1033 . 2 2 42 42 GLN HE21 H 1 7.652 0.020 . 2 . . . B 140 GLN HE21 . 25230 1 1034 . 2 2 42 42 GLN HE22 H 1 6.710 0.020 . 2 . . . B 140 GLN HE22 . 25230 1 1035 . 2 2 42 42 GLN C C 13 175.050 0.400 . 1 . . . B 140 GLN C . 25230 1 1036 . 2 2 42 42 GLN CA C 13 55.241 0.400 . 1 . . . B 140 GLN CA . 25230 1 1037 . 2 2 42 42 GLN CB C 13 29.743 0.400 . 1 . . . B 140 GLN CB . 25230 1 1038 . 2 2 42 42 GLN CG C 13 33.961 0.400 . 1 . . . B 140 GLN CG . 25230 1 1039 . 2 2 42 42 GLN N N 15 117.732 0.400 . 1 . . . B 140 GLN N . 25230 1 1040 . 2 2 42 42 GLN NE2 N 15 109.977 0.400 . 1 . . . B 140 GLN NE2 . 25230 1 1041 . 2 2 43 43 GLN H H 1 7.475 0.020 . 1 . . . B 141 GLN H . 25230 1 1042 . 2 2 43 43 GLN HA H 1 4.257 0.020 . 1 . . . B 141 GLN HA . 25230 1 1043 . 2 2 43 43 GLN HB2 H 1 1.874 0.020 . 1 . . . B 141 GLN HB2 . 25230 1 1044 . 2 2 43 43 GLN HB3 H 1 1.874 0.020 . 1 . . . B 141 GLN HB3 . 25230 1 1045 . 2 2 43 43 GLN HG2 H 1 1.598 0.020 . 2 . . . B 141 GLN HG2 . 25230 1 1046 . 2 2 43 43 GLN HG3 H 1 2.505 0.020 . 2 . . . B 141 GLN HG3 . 25230 1 1047 . 2 2 43 43 GLN HE21 H 1 6.017 0.020 . 2 . . . B 141 GLN HE21 . 25230 1 1048 . 2 2 43 43 GLN HE22 H 1 6.456 0.020 . 2 . . . B 141 GLN HE22 . 25230 1 1049 . 2 2 43 43 GLN C C 13 176.736 0.400 . 1 . . . B 141 GLN C . 25230 1 1050 . 2 2 43 43 GLN CA C 13 56.220 0.400 . 1 . . . B 141 GLN CA . 25230 1 1051 . 2 2 43 43 GLN CB C 13 30.931 0.400 . 1 . . . B 141 GLN CB . 25230 1 1052 . 2 2 43 43 GLN CG C 13 33.045 0.400 . 1 . . . B 141 GLN CG . 25230 1 1053 . 2 2 43 43 GLN N N 15 117.204 0.400 . 1 . . . B 141 GLN N . 25230 1 1054 . 2 2 43 43 GLN NE2 N 15 104.344 0.400 . 1 . . . B 141 GLN NE2 . 25230 1 1055 . 2 2 44 44 ARG H H 1 8.639 0.020 . 1 . . . B 142 ARG H . 25230 1 1056 . 2 2 44 44 ARG HA H 1 4.546 0.020 . 1 . . . B 142 ARG HA . 25230 1 1057 . 2 2 44 44 ARG HB2 H 1 1.496 0.020 . 2 . . . B 142 ARG HB2 . 25230 1 1058 . 2 2 44 44 ARG HB3 H 1 1.818 0.020 . 2 . . . B 142 ARG HB3 . 25230 1 1059 . 2 2 44 44 ARG HG2 H 1 1.387 0.020 . 2 . . . B 142 ARG HG2 . 25230 1 1060 . 2 2 44 44 ARG HG3 H 1 1.510 0.020 . 2 . . . B 142 ARG HG3 . 25230 1 1061 . 2 2 44 44 ARG HD2 H 1 3.077 0.020 . 2 . . . B 142 ARG HD2 . 25230 1 1062 . 2 2 44 44 ARG HD3 H 1 3.187 0.020 . 2 . . . B 142 ARG HD3 . 25230 1 1063 . 2 2 44 44 ARG C C 13 174.517 0.400 . 1 . . . B 142 ARG C . 25230 1 1064 . 2 2 44 44 ARG CA C 13 53.116 0.400 . 1 . . . B 142 ARG CA . 25230 1 1065 . 2 2 44 44 ARG CB C 13 30.569 0.400 . 1 . . . B 142 ARG CB . 25230 1 1066 . 2 2 44 44 ARG CG C 13 26.497 0.400 . 1 . . . B 142 ARG CG . 25230 1 1067 . 2 2 44 44 ARG CD C 13 42.222 0.400 . 1 . . . B 142 ARG CD . 25230 1 1068 . 2 2 44 44 ARG N N 15 121.467 0.400 . 1 . . . B 142 ARG N . 25230 1 1069 . 2 2 45 45 LEU H H 1 8.773 0.020 . 1 . . . B 143 LEU H . 25230 1 1070 . 2 2 45 45 LEU HA H 1 5.498 0.020 . 1 . . . B 143 LEU HA . 25230 1 1071 . 2 2 45 45 LEU HB2 H 1 1.099 0.020 . 2 . . . B 143 LEU HB2 . 25230 1 1072 . 2 2 45 45 LEU HB3 H 1 1.459 0.020 . 2 . . . B 143 LEU HB3 . 25230 1 1073 . 2 2 45 45 LEU HG H 1 1.383 0.020 . 1 . . . B 143 LEU HG . 25230 1 1074 . 2 2 45 45 LEU HD11 H 1 0.694 0.020 . 2 . . . B 143 LEU HD11 . 25230 1 1075 . 2 2 45 45 LEU HD12 H 1 0.694 0.020 . 2 . . . B 143 LEU HD12 . 25230 1 1076 . 2 2 45 45 LEU HD13 H 1 0.694 0.020 . 2 . . . B 143 LEU HD13 . 25230 1 1077 . 2 2 45 45 LEU HD21 H 1 0.757 0.020 . 2 . . . B 143 LEU HD21 . 25230 1 1078 . 2 2 45 45 LEU HD22 H 1 0.757 0.020 . 2 . . . B 143 LEU HD22 . 25230 1 1079 . 2 2 45 45 LEU HD23 H 1 0.757 0.020 . 2 . . . B 143 LEU HD23 . 25230 1 1080 . 2 2 45 45 LEU C C 13 175.398 0.400 . 1 . . . B 143 LEU C . 25230 1 1081 . 2 2 45 45 LEU CA C 13 52.432 0.400 . 1 . . . B 143 LEU CA . 25230 1 1082 . 2 2 45 45 LEU CB C 13 46.396 0.400 . 1 . . . B 143 LEU CB . 25230 1 1083 . 2 2 45 45 LEU CG C 13 26.841 0.400 . 1 . . . B 143 LEU CG . 25230 1 1084 . 2 2 45 45 LEU CD1 C 13 26.346 0.400 . 1 . . . B 143 LEU CD1 . 25230 1 1085 . 2 2 45 45 LEU CD2 C 13 23.882 0.400 . 1 . . . B 143 LEU CD2 . 25230 1 1086 . 2 2 45 45 LEU N N 15 122.577 0.400 . 1 . . . B 143 LEU N . 25230 1 1087 . 2 2 46 46 ILE H H 1 9.132 0.020 . 1 . . . B 144 ILE H . 25230 1 1088 . 2 2 46 46 ILE HA H 1 5.142 0.020 . 1 . . . B 144 ILE HA . 25230 1 1089 . 2 2 46 46 ILE HB H 1 1.603 0.020 . 1 . . . B 144 ILE HB . 25230 1 1090 . 2 2 46 46 ILE HG12 H 1 0.951 0.020 . 2 . . . B 144 ILE HG12 . 25230 1 1091 . 2 2 46 46 ILE HG13 H 1 1.398 0.020 . 2 . . . B 144 ILE HG13 . 25230 1 1092 . 2 2 46 46 ILE HG21 H 1 0.804 0.020 . 1 . . . B 144 ILE HG21 . 25230 1 1093 . 2 2 46 46 ILE HG22 H 1 0.804 0.020 . 1 . . . B 144 ILE HG22 . 25230 1 1094 . 2 2 46 46 ILE HG23 H 1 0.804 0.020 . 1 . . . B 144 ILE HG23 . 25230 1 1095 . 2 2 46 46 ILE HD11 H 1 0.824 0.020 . 1 . . . B 144 ILE HD11 . 25230 1 1096 . 2 2 46 46 ILE HD12 H 1 0.824 0.020 . 1 . . . B 144 ILE HD12 . 25230 1 1097 . 2 2 46 46 ILE HD13 H 1 0.824 0.020 . 1 . . . B 144 ILE HD13 . 25230 1 1098 . 2 2 46 46 ILE C C 13 175.537 0.400 . 1 . . . B 144 ILE C . 25230 1 1099 . 2 2 46 46 ILE CA C 13 58.402 0.400 . 1 . . . B 144 ILE CA . 25230 1 1100 . 2 2 46 46 ILE CB C 13 42.278 0.400 . 1 . . . B 144 ILE CB . 25230 1 1101 . 2 2 46 46 ILE CG1 C 13 27.691 0.400 . 1 . . . B 144 ILE CG1 . 25230 1 1102 . 2 2 46 46 ILE CG2 C 13 16.744 0.400 . 1 . . . B 144 ILE CG2 . 25230 1 1103 . 2 2 46 46 ILE CD1 C 13 13.696 0.400 . 1 . . . B 144 ILE CD1 . 25230 1 1104 . 2 2 46 46 ILE N N 15 122.143 0.400 . 1 . . . B 144 ILE N . 25230 1 1105 . 2 2 47 47 PHE H H 1 8.640 0.020 . 1 . . . B 145 PHE H . 25230 1 1106 . 2 2 47 47 PHE HA H 1 4.751 0.020 . 1 . . . B 145 PHE HA . 25230 1 1107 . 2 2 47 47 PHE HB2 H 1 2.641 0.020 . 2 . . . B 145 PHE HB2 . 25230 1 1108 . 2 2 47 47 PHE HB3 H 1 3.328 0.020 . 2 . . . B 145 PHE HB3 . 25230 1 1109 . 2 2 47 47 PHE HD1 H 1 7.498 0.020 . 1 . . . B 145 PHE HD1 . 25230 1 1110 . 2 2 47 47 PHE HD2 H 1 7.498 0.020 . 1 . . . B 145 PHE HD2 . 25230 1 1111 . 2 2 47 47 PHE HE1 H 1 7.417 0.020 . 1 . . . B 145 PHE HE1 . 25230 1 1112 . 2 2 47 47 PHE HE2 H 1 7.417 0.020 . 1 . . . B 145 PHE HE2 . 25230 1 1113 . 2 2 47 47 PHE C C 13 173.984 0.400 . 1 . . . B 145 PHE C . 25230 1 1114 . 2 2 47 47 PHE CA C 13 57.969 0.400 . 1 . . . B 145 PHE CA . 25230 1 1115 . 2 2 47 47 PHE CB C 13 43.839 0.400 . 1 . . . B 145 PHE CB . 25230 1 1116 . 2 2 47 47 PHE CD1 C 13 131.745 0.400 . 1 . . . B 145 PHE CD1 . 25230 1 1117 . 2 2 47 47 PHE CD2 C 13 131.745 0.400 . 1 . . . B 145 PHE CD2 . 25230 1 1118 . 2 2 47 47 PHE CE1 C 13 128.995 0.400 . 1 . . . B 145 PHE CE1 . 25230 1 1119 . 2 2 47 47 PHE CE2 C 13 128.995 0.400 . 1 . . . B 145 PHE CE2 . 25230 1 1120 . 2 2 47 47 PHE N N 15 123.561 0.400 . 1 . . . B 145 PHE N . 25230 1 1121 . 2 2 48 48 ALA H H 1 10.533 0.020 . 1 . . . B 146 ALA H . 25230 1 1122 . 2 2 48 48 ALA HA H 1 3.440 0.020 . 1 . . . B 146 ALA HA . 25230 1 1123 . 2 2 48 48 ALA HB1 H 1 0.804 0.020 . 1 . . . B 146 ALA HB1 . 25230 1 1124 . 2 2 48 48 ALA HB2 H 1 0.804 0.020 . 1 . . . B 146 ALA HB2 . 25230 1 1125 . 2 2 48 48 ALA HB3 H 1 0.804 0.020 . 1 . . . B 146 ALA HB3 . 25230 1 1126 . 2 2 48 48 ALA C C 13 178.702 0.400 . 1 . . . B 146 ALA C . 25230 1 1127 . 2 2 48 48 ALA CA C 13 51.281 0.400 . 1 . . . B 146 ALA CA . 25230 1 1128 . 2 2 48 48 ALA CB C 13 16.039 0.400 . 1 . . . B 146 ALA CB . 25230 1 1129 . 2 2 48 48 ALA N N 15 135.791 0.400 . 1 . . . B 146 ALA N . 25230 1 1130 . 2 2 49 49 GLY H H 1 9.808 0.020 . 1 . . . B 147 GLY H . 25230 1 1131 . 2 2 49 49 GLY HA2 H 1 3.327 0.020 . 2 . . . B 147 GLY HA2 . 25230 1 1132 . 2 2 49 49 GLY HA3 H 1 4.035 0.020 . 2 . . . B 147 GLY HA3 . 25230 1 1133 . 2 2 49 49 GLY C C 13 173.614 0.400 . 1 . . . B 147 GLY C . 25230 1 1134 . 2 2 49 49 GLY CA C 13 44.938 0.400 . 1 . . . B 147 GLY CA . 25230 1 1135 . 2 2 49 49 GLY N N 15 104.584 0.400 . 1 . . . B 147 GLY N . 25230 1 1136 . 2 2 50 50 LYS H H 1 7.768 0.020 . 1 . . . B 148 LYS H . 25230 1 1137 . 2 2 50 50 LYS HA H 1 4.802 0.020 . 1 . . . B 148 LYS HA . 25230 1 1138 . 2 2 50 50 LYS HB2 H 1 1.760 0.020 . 1 . . . B 148 LYS HB2 . 25230 1 1139 . 2 2 50 50 LYS HB3 H 1 1.760 0.020 . 1 . . . B 148 LYS HB3 . 25230 1 1140 . 2 2 50 50 LYS HG2 H 1 1.540 0.020 . 1 . . . B 148 LYS HG2 . 25230 1 1141 . 2 2 50 50 LYS HG3 H 1 1.540 0.020 . 1 . . . B 148 LYS HG3 . 25230 1 1142 . 2 2 50 50 LYS HD2 H 1 1.879 0.020 . 1 . . . B 148 LYS HD2 . 25230 1 1143 . 2 2 50 50 LYS HD3 H 1 1.879 0.020 . 1 . . . B 148 LYS HD3 . 25230 1 1144 . 2 2 50 50 LYS HE2 H 1 3.183 0.020 . 1 . . . B 148 LYS HE2 . 25230 1 1145 . 2 2 50 50 LYS HE3 H 1 3.183 0.020 . 1 . . . B 148 LYS HE3 . 25230 1 1146 . 2 2 50 50 LYS C C 13 175.069 0.400 . 1 . . . B 148 LYS C . 25230 1 1147 . 2 2 50 50 LYS CA C 13 54.159 0.400 . 1 . . . B 148 LYS CA . 25230 1 1148 . 2 2 50 50 LYS CB C 13 34.583 0.400 . 1 . . . B 148 LYS CB . 25230 1 1149 . 2 2 50 50 LYS CG C 13 23.921 0.400 . 1 . . . B 148 LYS CG . 25230 1 1150 . 2 2 50 50 LYS CD C 13 28.613 0.400 . 1 . . . B 148 LYS CD . 25230 1 1151 . 2 2 50 50 LYS CE C 13 41.770 0.400 . 1 . . . B 148 LYS CE . 25230 1 1152 . 2 2 50 50 LYS N N 15 119.356 0.400 . 1 . . . B 148 LYS N . 25230 1 1153 . 2 2 51 51 GLN H H 1 8.192 0.020 . 1 . . . B 149 GLN H . 25230 1 1154 . 2 2 51 51 GLN HA H 1 4.669 0.020 . 1 . . . B 149 GLN HA . 25230 1 1155 . 2 2 51 51 GLN HB2 H 1 1.229 0.020 . 2 . . . B 149 GLN HB2 . 25230 1 1156 . 2 2 51 51 GLN HB3 H 1 1.704 0.020 . 2 . . . B 149 GLN HB3 . 25230 1 1157 . 2 2 51 51 GLN HG2 H 1 1.551 0.020 . 1 . . . B 149 GLN HG2 . 25230 1 1158 . 2 2 51 51 GLN HG3 H 1 1.551 0.020 . 1 . . . B 149 GLN HG3 . 25230 1 1159 . 2 2 51 51 GLN HE21 H 1 5.354 0.020 . 2 . . . B 149 GLN HE21 . 25230 1 1160 . 2 2 51 51 GLN HE22 H 1 7.088 0.020 . 2 . . . B 149 GLN HE22 . 25230 1 1161 . 2 2 51 51 GLN C C 13 175.963 0.400 . 1 . . . B 149 GLN C . 25230 1 1162 . 2 2 51 51 GLN CA C 13 54.623 0.400 . 1 . . . B 149 GLN CA . 25230 1 1163 . 2 2 51 51 GLN CB C 13 28.507 0.400 . 1 . . . B 149 GLN CB . 25230 1 1164 . 2 2 51 51 GLN CG C 13 34.939 0.400 . 1 . . . B 149 GLN CG . 25230 1 1165 . 2 2 51 51 GLN N N 15 119.679 0.400 . 1 . . . B 149 GLN N . 25230 1 1166 . 2 2 51 51 GLN NE2 N 15 111.093 0.400 . 1 . . . B 149 GLN NE2 . 25230 1 1167 . 2 2 52 52 LEU H H 1 8.437 0.020 . 1 . . . B 150 LEU H . 25230 1 1168 . 2 2 52 52 LEU HA H 1 3.910 0.020 . 1 . . . B 150 LEU HA . 25230 1 1169 . 2 2 52 52 LEU HB2 H 1 1.391 0.020 . 2 . . . B 150 LEU HB2 . 25230 1 1170 . 2 2 52 52 LEU HB3 H 1 0.952 0.020 . 2 . . . B 150 LEU HB3 . 25230 1 1171 . 2 2 52 52 LEU HG H 1 1.375 0.020 . 1 . . . B 150 LEU HG . 25230 1 1172 . 2 2 52 52 LEU HD11 H 1 -0.228 0.020 . 2 . . . B 150 LEU HD11 . 25230 1 1173 . 2 2 52 52 LEU HD12 H 1 -0.228 0.020 . 2 . . . B 150 LEU HD12 . 25230 1 1174 . 2 2 52 52 LEU HD13 H 1 -0.228 0.020 . 2 . . . B 150 LEU HD13 . 25230 1 1175 . 2 2 52 52 LEU HD21 H 1 0.499 0.020 . 2 . . . B 150 LEU HD21 . 25230 1 1176 . 2 2 52 52 LEU HD22 H 1 0.499 0.020 . 2 . . . B 150 LEU HD22 . 25230 1 1177 . 2 2 52 52 LEU HD23 H 1 0.499 0.020 . 2 . . . B 150 LEU HD23 . 25230 1 1178 . 2 2 52 52 LEU C C 13 176.268 0.400 . 1 . . . B 150 LEU C . 25230 1 1179 . 2 2 52 52 LEU CA C 13 54.143 0.400 . 1 . . . B 150 LEU CA . 25230 1 1180 . 2 2 52 52 LEU CB C 13 40.611 0.400 . 1 . . . B 150 LEU CB . 25230 1 1181 . 2 2 52 52 LEU CG C 13 25.221 0.400 . 1 . . . B 150 LEU CG . 25230 1 1182 . 2 2 52 52 LEU CD1 C 13 18.829 0.400 . 1 . . . B 150 LEU CD1 . 25230 1 1183 . 2 2 52 52 LEU CD2 C 13 25.443 0.400 . 1 . . . B 150 LEU CD2 . 25230 1 1184 . 2 2 52 52 LEU N N 15 123.857 0.400 . 1 . . . B 150 LEU N . 25230 1 1185 . 2 2 53 53 GLU H H 1 8.524 0.020 . 1 . . . B 151 GLU H . 25230 1 1186 . 2 2 53 53 GLU HA H 1 4.308 0.020 . 1 . . . B 151 GLU HA . 25230 1 1187 . 2 2 53 53 GLU HB2 H 1 1.957 0.020 . 2 . . . B 151 GLU HB2 . 25230 1 1188 . 2 2 53 53 GLU HB3 H 1 2.115 0.020 . 2 . . . B 151 GLU HB3 . 25230 1 1189 . 2 2 53 53 GLU HG2 H 1 2.306 0.020 . 1 . . . B 151 GLU HG2 . 25230 1 1190 . 2 2 53 53 GLU HG3 H 1 2.306 0.020 . 1 . . . B 151 GLU HG3 . 25230 1 1191 . 2 2 53 53 GLU C C 13 176.029 0.400 . 1 . . . B 151 GLU C . 25230 1 1192 . 2 2 53 53 GLU CA C 13 55.695 0.400 . 1 . . . B 151 GLU CA . 25230 1 1193 . 2 2 53 53 GLU CB C 13 31.417 0.400 . 1 . . . B 151 GLU CB . 25230 1 1194 . 2 2 53 53 GLU CG C 13 36.217 0.400 . 1 . . . B 151 GLU CG . 25230 1 1195 . 2 2 53 53 GLU N N 15 123.762 0.400 . 1 . . . B 151 GLU N . 25230 1 1196 . 2 2 54 54 ASP H H 1 8.155 0.020 . 1 . . . B 152 ASP H . 25230 1 1197 . 2 2 54 54 ASP HA H 1 4.257 0.020 . 1 . . . B 152 ASP HA . 25230 1 1198 . 2 2 54 54 ASP HB2 H 1 2.478 0.020 . 1 . . . B 152 ASP HB2 . 25230 1 1199 . 2 2 54 54 ASP HB3 H 1 2.478 0.020 . 1 . . . B 152 ASP HB3 . 25230 1 1200 . 2 2 54 54 ASP CA C 13 56.432 0.400 . 1 . . . B 152 ASP CA . 25230 1 1201 . 2 2 54 54 ASP CB C 13 40.602 0.400 . 1 . . . B 152 ASP CB . 25230 1 1202 . 2 2 54 54 ASP N N 15 120.924 0.400 . 1 . . . B 152 ASP N . 25230 1 1203 . 2 2 55 55 GLY HA2 H 1 3.840 0.020 . 2 . . . B 153 GLY HA2 . 25230 1 1204 . 2 2 55 55 GLY HA3 H 1 4.088 0.020 . 2 . . . B 153 GLY HA3 . 25230 1 1205 . 2 2 55 55 GLY C C 13 174.744 0.400 . 1 . . . B 153 GLY C . 25230 1 1206 . 2 2 55 55 GLY CA C 13 44.765 0.400 . 1 . . . B 153 GLY CA . 25230 1 1207 . 2 2 56 56 ARG H H 1 7.474 0.020 . 1 . . . B 154 ARG H . 25230 1 1208 . 2 2 56 56 ARG HA H 1 4.608 0.020 . 1 . . . B 154 ARG HA . 25230 1 1209 . 2 2 56 56 ARG HB2 H 1 1.933 0.020 . 2 . . . B 154 ARG HB2 . 25230 1 1210 . 2 2 56 56 ARG HB3 H 1 2.126 0.020 . 2 . . . B 154 ARG HB3 . 25230 1 1211 . 2 2 56 56 ARG HG2 H 1 1.721 0.020 . 2 . . . B 154 ARG HG2 . 25230 1 1212 . 2 2 56 56 ARG HG3 H 1 1.550 0.020 . 2 . . . B 154 ARG HG3 . 25230 1 1213 . 2 2 56 56 ARG HD2 H 1 2.987 0.020 . 1 . . . B 154 ARG HD2 . 25230 1 1214 . 2 2 56 56 ARG HD3 H 1 2.987 0.020 . 1 . . . B 154 ARG HD3 . 25230 1 1215 . 2 2 56 56 ARG C C 13 175.240 0.400 . 1 . . . B 154 ARG C . 25230 1 1216 . 2 2 56 56 ARG CA C 13 53.903 0.400 . 1 . . . B 154 ARG CA . 25230 1 1217 . 2 2 56 56 ARG CB C 13 31.766 0.400 . 1 . . . B 154 ARG CB . 25230 1 1218 . 2 2 56 56 ARG CG C 13 27.062 0.400 . 1 . . . B 154 ARG CG . 25230 1 1219 . 2 2 56 56 ARG CD C 13 42.282 0.400 . 1 . . . B 154 ARG CD . 25230 1 1220 . 2 2 56 56 ARG N N 15 119.483 0.400 . 1 . . . B 154 ARG N . 25230 1 1221 . 2 2 57 57 THR H H 1 8.773 0.020 . 1 . . . B 155 THR H . 25230 1 1222 . 2 2 57 57 THR HA H 1 5.157 0.020 . 1 . . . B 155 THR HA . 25230 1 1223 . 2 2 57 57 THR HB H 1 4.492 0.020 . 1 . . . B 155 THR HB . 25230 1 1224 . 2 2 57 57 THR HG21 H 1 1.096 0.020 . 1 . . . B 155 THR HG21 . 25230 1 1225 . 2 2 57 57 THR HG22 H 1 1.096 0.020 . 1 . . . B 155 THR HG22 . 25230 1 1226 . 2 2 57 57 THR HG23 H 1 1.096 0.020 . 1 . . . B 155 THR HG23 . 25230 1 1227 . 2 2 57 57 THR C C 13 176.342 0.400 . 1 . . . B 155 THR C . 25230 1 1228 . 2 2 57 57 THR CA C 13 59.028 0.400 . 1 . . . B 155 THR CA . 25230 1 1229 . 2 2 57 57 THR CB C 13 72.820 0.400 . 1 . . . B 155 THR CB . 25230 1 1230 . 2 2 57 57 THR CG2 C 13 21.728 0.400 . 1 . . . B 155 THR CG2 . 25230 1 1231 . 2 2 57 57 THR N N 15 108.631 0.400 . 1 . . . B 155 THR N . 25230 1 1232 . 2 2 58 58 LEU H H 1 8.254 0.020 . 1 . . . B 156 LEU H . 25230 1 1233 . 2 2 58 58 LEU HA H 1 4.003 0.020 . 1 . . . B 156 LEU HA . 25230 1 1234 . 2 2 58 58 LEU HB2 H 1 2.063 0.020 . 2 . . . B 156 LEU HB2 . 25230 1 1235 . 2 2 58 58 LEU HB3 H 1 1.164 0.020 . 2 . . . B 156 LEU HB3 . 25230 1 1236 . 2 2 58 58 LEU HG H 1 1.716 0.020 . 1 . . . B 156 LEU HG . 25230 1 1237 . 2 2 58 58 LEU HD11 H 1 0.569 0.020 . 2 . . . B 156 LEU HD11 . 25230 1 1238 . 2 2 58 58 LEU HD12 H 1 0.569 0.020 . 2 . . . B 156 LEU HD12 . 25230 1 1239 . 2 2 58 58 LEU HD13 H 1 0.569 0.020 . 2 . . . B 156 LEU HD13 . 25230 1 1240 . 2 2 58 58 LEU HD21 H 1 0.703 0.020 . 2 . . . B 156 LEU HD21 . 25230 1 1241 . 2 2 58 58 LEU HD22 H 1 0.703 0.020 . 2 . . . B 156 LEU HD22 . 25230 1 1242 . 2 2 58 58 LEU HD23 H 1 0.703 0.020 . 2 . . . B 156 LEU HD23 . 25230 1 1243 . 2 2 58 58 LEU C C 13 180.666 0.400 . 1 . . . B 156 LEU C . 25230 1 1244 . 2 2 58 58 LEU CA C 13 58.345 0.400 . 1 . . . B 156 LEU CA . 25230 1 1245 . 2 2 58 58 LEU CB C 13 39.515 0.400 . 1 . . . B 156 LEU CB . 25230 1 1246 . 2 2 58 58 LEU CG C 13 26.062 0.400 . 1 . . . B 156 LEU CG . 25230 1 1247 . 2 2 58 58 LEU CD1 C 13 22.760 0.400 . 1 . . . B 156 LEU CD1 . 25230 1 1248 . 2 2 58 58 LEU CD2 C 13 26.376 0.400 . 1 . . . B 156 LEU CD2 . 25230 1 1249 . 2 2 58 58 LEU N N 15 117.797 0.400 . 1 . . . B 156 LEU N . 25230 1 1250 . 2 2 59 59 SER H H 1 8.383 0.020 . 1 . . . B 157 SER H . 25230 1 1251 . 2 2 59 59 SER HA H 1 4.212 0.020 . 1 . . . B 157 SER HA . 25230 1 1252 . 2 2 59 59 SER HB2 H 1 3.725 0.020 . 1 . . . B 157 SER HB2 . 25230 1 1253 . 2 2 59 59 SER HB3 H 1 3.725 0.020 . 1 . . . B 157 SER HB3 . 25230 1 1254 . 2 2 59 59 SER C C 13 178.243 0.400 . 1 . . . B 157 SER C . 25230 1 1255 . 2 2 59 59 SER CA C 13 60.708 0.400 . 1 . . . B 157 SER CA . 25230 1 1256 . 2 2 59 59 SER CB C 13 62.031 0.400 . 1 . . . B 157 SER CB . 25230 1 1257 . 2 2 59 59 SER N N 15 113.448 0.400 . 1 . . . B 157 SER N . 25230 1 1258 . 2 2 60 60 ASP H H 1 8.009 0.020 . 1 . . . B 158 ASP H . 25230 1 1259 . 2 2 60 60 ASP HA H 1 4.226 0.020 . 1 . . . B 158 ASP HA . 25230 1 1260 . 2 2 60 60 ASP HB2 H 1 2.224 0.020 . 2 . . . B 158 ASP HB2 . 25230 1 1261 . 2 2 60 60 ASP HB3 H 1 2.969 0.020 . 2 . . . B 158 ASP HB3 . 25230 1 1262 . 2 2 60 60 ASP C C 13 177.458 0.400 . 1 . . . B 158 ASP C . 25230 1 1263 . 2 2 60 60 ASP CA C 13 56.920 0.400 . 1 . . . B 158 ASP CA . 25230 1 1264 . 2 2 60 60 ASP CB C 13 39.940 0.400 . 1 . . . B 158 ASP CB . 25230 1 1265 . 2 2 60 60 ASP N N 15 124.804 0.400 . 1 . . . B 158 ASP N . 25230 1 1266 . 2 2 61 61 TYR H H 1 7.250 0.020 . 1 . . . B 159 TYR H . 25230 1 1267 . 2 2 61 61 TYR HA H 1 4.705 0.020 . 1 . . . B 159 TYR HA . 25230 1 1268 . 2 2 61 61 TYR HB2 H 1 3.532 0.020 . 2 . . . B 159 TYR HB2 . 25230 1 1269 . 2 2 61 61 TYR HB3 H 1 2.514 0.020 . 2 . . . B 159 TYR HB3 . 25230 1 1270 . 2 2 61 61 TYR HD1 H 1 7.175 0.020 . 1 . . . B 159 TYR HD1 . 25230 1 1271 . 2 2 61 61 TYR HD2 H 1 7.175 0.020 . 1 . . . B 159 TYR HD2 . 25230 1 1272 . 2 2 61 61 TYR HE1 H 1 6.823 0.020 . 1 . . . B 159 TYR HE1 . 25230 1 1273 . 2 2 61 61 TYR HE2 H 1 6.823 0.020 . 1 . . . B 159 TYR HE2 . 25230 1 1274 . 2 2 61 61 TYR C C 13 174.592 0.400 . 1 . . . B 159 TYR C . 25230 1 1275 . 2 2 61 61 TYR CA C 13 57.928 0.400 . 1 . . . B 159 TYR CA . 25230 1 1276 . 2 2 61 61 TYR CB C 13 39.492 0.400 . 1 . . . B 159 TYR CB . 25230 1 1277 . 2 2 61 61 TYR CD1 C 13 132.722 0.400 . 1 . . . B 159 TYR CD1 . 25230 1 1278 . 2 2 61 61 TYR CD2 C 13 132.722 0.400 . 1 . . . B 159 TYR CD2 . 25230 1 1279 . 2 2 61 61 TYR CE1 C 13 117.631 0.400 . 1 . . . B 159 TYR CE1 . 25230 1 1280 . 2 2 61 61 TYR CE2 C 13 117.631 0.400 . 1 . . . B 159 TYR CE2 . 25230 1 1281 . 2 2 61 61 TYR N N 15 115.690 0.400 . 1 . . . B 159 TYR N . 25230 1 1282 . 2 2 62 62 ASN H H 1 8.228 0.020 . 1 . . . B 160 ASN H . 25230 1 1283 . 2 2 62 62 ASN HA H 1 4.330 0.020 . 1 . . . B 160 ASN HA . 25230 1 1284 . 2 2 62 62 ASN HB2 H 1 2.764 0.020 . 2 . . . B 160 ASN HB2 . 25230 1 1285 . 2 2 62 62 ASN HB3 H 1 3.284 0.020 . 2 . . . B 160 ASN HB3 . 25230 1 1286 . 2 2 62 62 ASN HD21 H 1 7.595 0.020 . 2 . . . B 160 ASN HD21 . 25230 1 1287 . 2 2 62 62 ASN HD22 H 1 6.845 0.020 . 2 . . . B 160 ASN HD22 . 25230 1 1288 . 2 2 62 62 ASN C C 13 174.269 0.400 . 1 . . . B 160 ASN C . 25230 1 1289 . 2 2 62 62 ASN CA C 13 53.651 0.400 . 1 . . . B 160 ASN CA . 25230 1 1290 . 2 2 62 62 ASN CB C 13 36.890 0.400 . 1 . . . B 160 ASN CB . 25230 1 1291 . 2 2 62 62 ASN N N 15 116.318 0.400 . 1 . . . B 160 ASN N . 25230 1 1292 . 2 2 62 62 ASN ND2 N 15 111.718 0.400 . 1 . . . B 160 ASN ND2 . 25230 1 1293 . 2 2 63 63 ILE H H 1 7.479 0.020 . 1 . . . B 161 ILE H . 25230 1 1294 . 2 2 63 63 ILE HA H 1 3.388 0.020 . 1 . . . B 161 ILE HA . 25230 1 1295 . 2 2 63 63 ILE HB H 1 1.391 0.020 . 1 . . . B 161 ILE HB . 25230 1 1296 . 2 2 63 63 ILE HG12 H 1 -0.240 0.020 . 2 . . . B 161 ILE HG12 . 25230 1 1297 . 2 2 63 63 ILE HG13 H 1 1.279 0.020 . 2 . . . B 161 ILE HG13 . 25230 1 1298 . 2 2 63 63 ILE HG21 H 1 0.418 0.020 . 1 . . . B 161 ILE HG21 . 25230 1 1299 . 2 2 63 63 ILE HG22 H 1 0.418 0.020 . 1 . . . B 161 ILE HG22 . 25230 1 1300 . 2 2 63 63 ILE HG23 H 1 0.418 0.020 . 1 . . . B 161 ILE HG23 . 25230 1 1301 . 2 2 63 63 ILE HD11 H 1 0.474 0.020 . 1 . . . B 161 ILE HD11 . 25230 1 1302 . 2 2 63 63 ILE HD12 H 1 0.474 0.020 . 1 . . . B 161 ILE HD12 . 25230 1 1303 . 2 2 63 63 ILE HD13 H 1 0.474 0.020 . 1 . . . B 161 ILE HD13 . 25230 1 1304 . 2 2 63 63 ILE C C 13 174.183 0.400 . 1 . . . B 161 ILE C . 25230 1 1305 . 2 2 63 63 ILE CA C 13 62.091 0.400 . 1 . . . B 161 ILE CA . 25230 1 1306 . 2 2 63 63 ILE CB C 13 36.248 0.400 . 1 . . . B 161 ILE CB . 25230 1 1307 . 2 2 63 63 ILE CG1 C 13 28.823 0.400 . 1 . . . B 161 ILE CG1 . 25230 1 1308 . 2 2 63 63 ILE CG2 C 13 17.232 0.400 . 1 . . . B 161 ILE CG2 . 25230 1 1309 . 2 2 63 63 ILE CD1 C 13 14.154 0.400 . 1 . . . B 161 ILE CD1 . 25230 1 1310 . 2 2 63 63 ILE N N 15 119.249 0.400 . 1 . . . B 161 ILE N . 25230 1 1311 . 2 2 64 64 GLN H H 1 7.719 0.020 . 1 . . . B 162 GLN H . 25230 1 1312 . 2 2 64 64 GLN HA H 1 4.452 0.020 . 1 . . . B 162 GLN HA . 25230 1 1313 . 2 2 64 64 GLN HB2 H 1 1.828 0.020 . 2 . . . B 162 GLN HB2 . 25230 1 1314 . 2 2 64 64 GLN HB3 H 1 2.192 0.020 . 2 . . . B 162 GLN HB3 . 25230 1 1315 . 2 2 64 64 GLN HG2 H 1 2.279 0.020 . 1 . . . B 162 GLN HG2 . 25230 1 1316 . 2 2 64 64 GLN HG3 H 1 2.279 0.020 . 1 . . . B 162 GLN HG3 . 25230 1 1317 . 2 2 64 64 GLN HE21 H 1 7.322 0.020 . 2 . . . B 162 GLN HE21 . 25230 1 1318 . 2 2 64 64 GLN HE22 H 1 6.839 0.020 . 2 . . . B 162 GLN HE22 . 25230 1 1319 . 2 2 64 64 GLN C C 13 175.316 0.400 . 1 . . . B 162 GLN C . 25230 1 1320 . 2 2 64 64 GLN CA C 13 52.932 0.400 . 1 . . . B 162 GLN CA . 25230 1 1321 . 2 2 64 64 GLN CB C 13 31.344 0.400 . 1 . . . B 162 GLN CB . 25230 1 1322 . 2 2 64 64 GLN CG C 13 32.867 0.400 . 1 . . . B 162 GLN CG . 25230 1 1323 . 2 2 64 64 GLN N N 15 125.202 0.400 . 1 . . . B 162 GLN N . 25230 1 1324 . 2 2 64 64 GLN NE2 N 15 112.297 0.400 . 1 . . . B 162 GLN NE2 . 25230 1 1325 . 2 2 65 65 LYS H H 1 8.448 0.020 . 1 . . . B 163 LYS H . 25230 1 1326 . 2 2 65 65 LYS HA H 1 3.916 0.020 . 1 . . . B 163 LYS HA . 25230 1 1327 . 2 2 65 65 LYS HB2 H 1 1.833 0.020 . 2 . . . B 163 LYS HB2 . 25230 1 1328 . 2 2 65 65 LYS HB3 H 1 1.986 0.020 . 2 . . . B 163 LYS HB3 . 25230 1 1329 . 2 2 65 65 LYS HG2 H 1 1.456 0.020 . 1 . . . B 163 LYS HG2 . 25230 1 1330 . 2 2 65 65 LYS HG3 H 1 1.456 0.020 . 1 . . . B 163 LYS HG3 . 25230 1 1331 . 2 2 65 65 LYS HD2 H 1 1.699 0.020 . 1 . . . B 163 LYS HD2 . 25230 1 1332 . 2 2 65 65 LYS HD3 H 1 1.699 0.020 . 1 . . . B 163 LYS HD3 . 25230 1 1333 . 2 2 65 65 LYS HE2 H 1 2.997 0.020 . 1 . . . B 163 LYS HE2 . 25230 1 1334 . 2 2 65 65 LYS HE3 H 1 2.997 0.020 . 1 . . . B 163 LYS HE3 . 25230 1 1335 . 2 2 65 65 LYS C C 13 176.029 0.400 . 1 . . . B 163 LYS C . 25230 1 1336 . 2 2 65 65 LYS CA C 13 57.337 0.400 . 1 . . . B 163 LYS CA . 25230 1 1337 . 2 2 65 65 LYS CB C 13 32.099 0.400 . 1 . . . B 163 LYS CB . 25230 1 1338 . 2 2 65 65 LYS CG C 13 23.888 0.400 . 1 . . . B 163 LYS CG . 25230 1 1339 . 2 2 65 65 LYS CD C 13 29.324 0.400 . 1 . . . B 163 LYS CD . 25230 1 1340 . 2 2 65 65 LYS CE C 13 41.321 0.400 . 1 . . . B 163 LYS CE . 25230 1 1341 . 2 2 65 65 LYS N N 15 120.331 0.400 . 1 . . . B 163 LYS N . 25230 1 1342 . 2 2 66 66 GLU H H 1 9.331 0.020 . 1 . . . B 164 GLU H . 25230 1 1343 . 2 2 66 66 GLU HA H 1 3.222 0.020 . 1 . . . B 164 GLU HA . 25230 1 1344 . 2 2 66 66 GLU HB2 H 1 2.355 0.020 . 2 . . . B 164 GLU HB2 . 25230 1 1345 . 2 2 66 66 GLU HB3 H 1 2.500 0.020 . 2 . . . B 164 GLU HB3 . 25230 1 1346 . 2 2 66 66 GLU HG2 H 1 2.180 0.020 . 1 . . . B 164 GLU HG2 . 25230 1 1347 . 2 2 66 66 GLU HG3 H 1 2.180 0.020 . 1 . . . B 164 GLU HG3 . 25230 1 1348 . 2 2 66 66 GLU C C 13 175.077 0.400 . 1 . . . B 164 GLU C . 25230 1 1349 . 2 2 66 66 GLU CA C 13 57.951 0.400 . 1 . . . B 164 GLU CA . 25230 1 1350 . 2 2 66 66 GLU CB C 13 25.426 0.400 . 1 . . . B 164 GLU CB . 25230 1 1351 . 2 2 66 66 GLU CG C 13 36.906 0.400 . 1 . . . B 164 GLU CG . 25230 1 1352 . 2 2 66 66 GLU N N 15 115.204 0.400 . 1 . . . B 164 GLU N . 25230 1 1353 . 2 2 67 67 SER H H 1 7.765 0.020 . 1 . . . B 165 SER H . 25230 1 1354 . 2 2 67 67 SER HA H 1 4.544 0.020 . 1 . . . B 165 SER HA . 25230 1 1355 . 2 2 67 67 SER HB2 H 1 3.477 0.020 . 2 . . . B 165 SER HB2 . 25230 1 1356 . 2 2 67 67 SER HB3 H 1 3.734 0.020 . 2 . . . B 165 SER HB3 . 25230 1 1357 . 2 2 67 67 SER C C 13 171.894 0.400 . 1 . . . B 165 SER C . 25230 1 1358 . 2 2 67 67 SER CA C 13 60.629 0.400 . 1 . . . B 165 SER CA . 25230 1 1359 . 2 2 67 67 SER CB C 13 64.273 0.400 . 1 . . . B 165 SER CB . 25230 1 1360 . 2 2 67 67 SER N N 15 115.623 0.400 . 1 . . . B 165 SER N . 25230 1 1361 . 2 2 68 68 THR H H 1 8.780 0.020 . 1 . . . B 166 THR H . 25230 1 1362 . 2 2 68 68 THR HA H 1 5.209 0.020 . 1 . . . B 166 THR HA . 25230 1 1363 . 2 2 68 68 THR HB H 1 4.024 0.020 . 1 . . . B 166 THR HB . 25230 1 1364 . 2 2 68 68 THR HG21 H 1 0.851 0.020 . 1 . . . B 166 THR HG21 . 25230 1 1365 . 2 2 68 68 THR HG22 H 1 0.851 0.020 . 1 . . . B 166 THR HG22 . 25230 1 1366 . 2 2 68 68 THR HG23 H 1 0.851 0.020 . 1 . . . B 166 THR HG23 . 25230 1 1367 . 2 2 68 68 THR C C 13 173.275 0.400 . 1 . . . B 166 THR C . 25230 1 1368 . 2 2 68 68 THR CA C 13 61.747 0.400 . 1 . . . B 166 THR CA . 25230 1 1369 . 2 2 68 68 THR CB C 13 69.235 0.400 . 1 . . . B 166 THR CB . 25230 1 1370 . 2 2 68 68 THR CG2 C 13 21.164 0.400 . 1 . . . B 166 THR CG2 . 25230 1 1371 . 2 2 68 68 THR N N 15 117.617 0.400 . 1 . . . B 166 THR N . 25230 1 1372 . 2 2 69 69 LEU H H 1 9.351 0.020 . 1 . . . B 167 LEU H . 25230 1 1373 . 2 2 69 69 LEU HA H 1 5.129 0.020 . 1 . . . B 167 LEU HA . 25230 1 1374 . 2 2 69 69 LEU HB2 H 1 1.562 0.020 . 2 . . . B 167 LEU HB2 . 25230 1 1375 . 2 2 69 69 LEU HB3 H 1 1.664 0.020 . 2 . . . B 167 LEU HB3 . 25230 1 1376 . 2 2 69 69 LEU HG H 1 1.727 0.020 . 1 . . . B 167 LEU HG . 25230 1 1377 . 2 2 69 69 LEU HD11 H 1 0.511 0.020 . 2 . . . B 167 LEU HD11 . 25230 1 1378 . 2 2 69 69 LEU HD12 H 1 0.511 0.020 . 2 . . . B 167 LEU HD12 . 25230 1 1379 . 2 2 69 69 LEU HD13 H 1 0.511 0.020 . 2 . . . B 167 LEU HD13 . 25230 1 1380 . 2 2 69 69 LEU HD21 H 1 0.571 0.020 . 2 . . . B 167 LEU HD21 . 25230 1 1381 . 2 2 69 69 LEU HD22 H 1 0.571 0.020 . 2 . . . B 167 LEU HD22 . 25230 1 1382 . 2 2 69 69 LEU HD23 H 1 0.571 0.020 . 2 . . . B 167 LEU HD23 . 25230 1 1383 . 2 2 69 69 LEU C C 13 175.635 0.400 . 1 . . . B 167 LEU C . 25230 1 1384 . 2 2 69 69 LEU CA C 13 53.763 0.400 . 1 . . . B 167 LEU CA . 25230 1 1385 . 2 2 69 69 LEU CB C 13 44.192 0.400 . 1 . . . B 167 LEU CB . 25230 1 1386 . 2 2 69 69 LEU CG C 13 29.803 0.400 . 1 . . . B 167 LEU CG . 25230 1 1387 . 2 2 69 69 LEU CD1 C 13 25.283 0.400 . 1 . . . B 167 LEU CD1 . 25230 1 1388 . 2 2 69 69 LEU CD2 C 13 24.254 0.400 . 1 . . . B 167 LEU CD2 . 25230 1 1389 . 2 2 69 69 LEU N N 15 128.562 0.400 . 1 . . . B 167 LEU N . 25230 1 1390 . 2 2 70 70 HIS H H 1 9.076 0.020 . 1 . . . B 168 HIS H . 25230 1 1391 . 2 2 70 70 HIS HA H 1 5.032 0.020 . 1 . . . B 168 HIS HA . 25230 1 1392 . 2 2 70 70 HIS HB2 H 1 2.729 0.020 . 2 . . . B 168 HIS HB2 . 25230 1 1393 . 2 2 70 70 HIS HB3 H 1 2.902 0.020 . 2 . . . B 168 HIS HB3 . 25230 1 1394 . 2 2 70 70 HIS HE1 H 1 7.499 0.020 . 1 . . . B 168 HIS HE1 . 25230 1 1395 . 2 2 70 70 HIS CA C 13 56.103 0.400 . 1 . . . B 168 HIS CA . 25230 1 1396 . 2 2 70 70 HIS CB C 13 31.918 0.400 . 1 . . . B 168 HIS CB . 25230 1 1397 . 2 2 70 70 HIS CE1 C 13 136.419 0.400 . 1 . . . B 168 HIS CE1 . 25230 1 1398 . 2 2 70 70 HIS N N 15 119.190 0.400 . 1 . . . B 168 HIS N . 25230 1 1399 . 2 2 71 71 LEU HA H 1 5.091 0.020 . 1 . . . B 169 LEU HA . 25230 1 1400 . 2 2 71 71 LEU HB2 H 1 1.003 0.020 . 2 . . . B 169 LEU HB2 . 25230 1 1401 . 2 2 71 71 LEU HB3 H 1 1.510 0.020 . 2 . . . B 169 LEU HB3 . 25230 1 1402 . 2 2 71 71 LEU HG H 1 1.245 0.020 . 1 . . . B 169 LEU HG . 25230 1 1403 . 2 2 71 71 LEU HD11 H 1 0.675 0.020 . 2 . . . B 169 LEU HD11 . 25230 1 1404 . 2 2 71 71 LEU HD12 H 1 0.675 0.020 . 2 . . . B 169 LEU HD12 . 25230 1 1405 . 2 2 71 71 LEU HD13 H 1 0.675 0.020 . 2 . . . B 169 LEU HD13 . 25230 1 1406 . 2 2 71 71 LEU HD21 H 1 0.787 0.020 . 2 . . . B 169 LEU HD21 . 25230 1 1407 . 2 2 71 71 LEU HD22 H 1 0.787 0.020 . 2 . . . B 169 LEU HD22 . 25230 1 1408 . 2 2 71 71 LEU HD23 H 1 0.787 0.020 . 2 . . . B 169 LEU HD23 . 25230 1 1409 . 2 2 71 71 LEU C C 13 175.036 0.400 . 1 . . . B 169 LEU C . 25230 1 1410 . 2 2 71 71 LEU CA C 13 53.372 0.400 . 1 . . . B 169 LEU CA . 25230 1 1411 . 2 2 71 71 LEU CB C 13 44.246 0.400 . 1 . . . B 169 LEU CB . 25230 1 1412 . 2 2 71 71 LEU CG C 13 27.126 0.400 . 1 . . . B 169 LEU CG . 25230 1 1413 . 2 2 71 71 LEU CD1 C 13 25.873 0.400 . 1 . . . B 169 LEU CD1 . 25230 1 1414 . 2 2 71 71 LEU CD2 C 13 23.236 0.400 . 1 . . . B 169 LEU CD2 . 25230 1 1415 . 2 2 72 72 VAL H H 1 9.419 0.020 . 1 . . . B 170 VAL H . 25230 1 1416 . 2 2 72 72 VAL HA H 1 4.174 0.020 . 1 . . . B 170 VAL HA . 25230 1 1417 . 2 2 72 72 VAL HB H 1 1.827 0.020 . 1 . . . B 170 VAL HB . 25230 1 1418 . 2 2 72 72 VAL HG11 H 1 0.859 0.020 . 2 . . . B 170 VAL HG11 . 25230 1 1419 . 2 2 72 72 VAL HG12 H 1 0.859 0.020 . 2 . . . B 170 VAL HG12 . 25230 1 1420 . 2 2 72 72 VAL HG13 H 1 0.859 0.020 . 2 . . . B 170 VAL HG13 . 25230 1 1421 . 2 2 72 72 VAL HG21 H 1 1.056 0.020 . 2 . . . B 170 VAL HG21 . 25230 1 1422 . 2 2 72 72 VAL HG22 H 1 1.056 0.020 . 2 . . . B 170 VAL HG22 . 25230 1 1423 . 2 2 72 72 VAL HG23 H 1 1.056 0.020 . 2 . . . B 170 VAL HG23 . 25230 1 1424 . 2 2 72 72 VAL C C 13 173.759 0.400 . 1 . . . B 170 VAL C . 25230 1 1425 . 2 2 72 72 VAL CA C 13 60.725 0.400 . 1 . . . B 170 VAL CA . 25230 1 1426 . 2 2 72 72 VAL CB C 13 34.743 0.400 . 1 . . . B 170 VAL CB . 25230 1 1427 . 2 2 72 72 VAL CG1 C 13 20.485 0.400 . 1 . . . B 170 VAL CG1 . 25230 1 1428 . 2 2 72 72 VAL CG2 C 13 21.919 0.400 . 1 . . . B 170 VAL CG2 . 25230 1 1429 . 2 2 72 72 VAL N N 15 129.174 0.400 . 1 . . . B 170 VAL N . 25230 1 1430 . 2 2 73 73 LEU H H 1 8.450 0.020 . 1 . . . B 171 LEU H . 25230 1 1431 . 2 2 73 73 LEU HA H 1 5.139 0.020 . 1 . . . B 171 LEU HA . 25230 1 1432 . 2 2 73 73 LEU HB2 H 1 1.421 0.020 . 2 . . . B 171 LEU HB2 . 25230 1 1433 . 2 2 73 73 LEU HB3 H 1 1.697 0.020 . 2 . . . B 171 LEU HB3 . 25230 1 1434 . 2 2 73 73 LEU HG H 1 1.616 0.020 . 1 . . . B 171 LEU HG . 25230 1 1435 . 2 2 73 73 LEU HD11 H 1 0.808 0.020 . 2 . . . B 171 LEU HD11 . 25230 1 1436 . 2 2 73 73 LEU HD12 H 1 0.808 0.020 . 2 . . . B 171 LEU HD12 . 25230 1 1437 . 2 2 73 73 LEU HD13 H 1 0.808 0.020 . 2 . . . B 171 LEU HD13 . 25230 1 1438 . 2 2 73 73 LEU HD21 H 1 0.911 0.020 . 2 . . . B 171 LEU HD21 . 25230 1 1439 . 2 2 73 73 LEU HD22 H 1 0.911 0.020 . 2 . . . B 171 LEU HD22 . 25230 1 1440 . 2 2 73 73 LEU HD23 H 1 0.911 0.020 . 2 . . . B 171 LEU HD23 . 25230 1 1441 . 2 2 73 73 LEU C C 13 177.208 0.400 . 1 . . . B 171 LEU C . 25230 1 1442 . 2 2 73 73 LEU CA C 13 53.125 0.400 . 1 . . . B 171 LEU CA . 25230 1 1443 . 2 2 73 73 LEU CB C 13 41.770 0.400 . 1 . . . B 171 LEU CB . 25230 1 1444 . 2 2 73 73 LEU CG C 13 27.480 0.400 . 1 . . . B 171 LEU CG . 25230 1 1445 . 2 2 73 73 LEU CD1 C 13 23.876 0.400 . 1 . . . B 171 LEU CD1 . 25230 1 1446 . 2 2 73 73 LEU CD2 C 13 24.658 0.400 . 1 . . . B 171 LEU CD2 . 25230 1 1447 . 2 2 73 73 LEU N N 15 126.392 0.400 . 1 . . . B 171 LEU N . 25230 1 1448 . 2 2 74 74 ARG H H 1 8.885 0.020 . 1 . . . B 172 ARG H . 25230 1 1449 . 2 2 74 74 ARG HA H 1 4.409 0.020 . 1 . . . B 172 ARG HA . 25230 1 1450 . 2 2 74 74 ARG HB2 H 1 1.465 0.020 . 2 . . . B 172 ARG HB2 . 25230 1 1451 . 2 2 74 74 ARG HB3 H 1 1.765 0.020 . 2 . . . B 172 ARG HB3 . 25230 1 1452 . 2 2 74 74 ARG HG2 H 1 1.481 0.020 . 1 . . . B 172 ARG HG2 . 25230 1 1453 . 2 2 74 74 ARG HG3 H 1 1.481 0.020 . 1 . . . B 172 ARG HG3 . 25230 1 1454 . 2 2 74 74 ARG HD2 H 1 3.026 0.020 . 2 . . . B 172 ARG HD2 . 25230 1 1455 . 2 2 74 74 ARG HD3 H 1 3.141 0.020 . 2 . . . B 172 ARG HD3 . 25230 1 1456 . 2 2 74 74 ARG C C 13 175.051 0.400 . 1 . . . B 172 ARG C . 25230 1 1457 . 2 2 74 74 ARG CA C 13 54.122 0.400 . 1 . . . B 172 ARG CA . 25230 1 1458 . 2 2 74 74 ARG CB C 13 30.389 0.400 . 1 . . . B 172 ARG CB . 25230 1 1459 . 2 2 74 74 ARG CG C 13 26.450 0.400 . 1 . . . B 172 ARG CG . 25230 1 1460 . 2 2 74 74 ARG CD C 13 42.013 0.400 . 1 . . . B 172 ARG CD . 25230 1 1461 . 2 2 74 74 ARG N N 15 123.942 0.400 . 1 . . . B 172 ARG N . 25230 1 1462 . 2 2 75 75 LEU H H 1 8.497 0.020 . 1 . . . B 173 LEU H . 25230 1 1463 . 2 2 75 75 LEU HA H 1 4.328 0.020 . 1 . . . B 173 LEU HA . 25230 1 1464 . 2 2 75 75 LEU HB2 H 1 1.552 0.020 . 1 . . . B 173 LEU HB2 . 25230 1 1465 . 2 2 75 75 LEU HB3 H 1 1.552 0.020 . 1 . . . B 173 LEU HB3 . 25230 1 1466 . 2 2 75 75 LEU HG H 1 1.575 0.020 . 1 . . . B 173 LEU HG . 25230 1 1467 . 2 2 75 75 LEU HD11 H 1 0.821 0.020 . 2 . . . B 173 LEU HD11 . 25230 1 1468 . 2 2 75 75 LEU HD12 H 1 0.821 0.020 . 2 . . . B 173 LEU HD12 . 25230 1 1469 . 2 2 75 75 LEU HD13 H 1 0.821 0.020 . 2 . . . B 173 LEU HD13 . 25230 1 1470 . 2 2 75 75 LEU HD21 H 1 0.874 0.020 . 2 . . . B 173 LEU HD21 . 25230 1 1471 . 2 2 75 75 LEU HD22 H 1 0.874 0.020 . 2 . . . B 173 LEU HD22 . 25230 1 1472 . 2 2 75 75 LEU HD23 H 1 0.874 0.020 . 2 . . . B 173 LEU HD23 . 25230 1 1473 . 2 2 75 75 LEU C C 13 177.384 0.400 . 1 . . . B 173 LEU C . 25230 1 1474 . 2 2 75 75 LEU CA C 13 54.367 0.400 . 1 . . . B 173 LEU CA . 25230 1 1475 . 2 2 75 75 LEU CB C 13 41.931 0.400 . 1 . . . B 173 LEU CB . 25230 1 1476 . 2 2 75 75 LEU CG C 13 26.709 0.400 . 1 . . . B 173 LEU CG . 25230 1 1477 . 2 2 75 75 LEU CD1 C 13 23.088 0.400 . 1 . . . B 173 LEU CD1 . 25230 1 1478 . 2 2 75 75 LEU CD2 C 13 24.492 0.400 . 1 . . . B 173 LEU CD2 . 25230 1 1479 . 2 2 75 75 LEU N N 15 124.576 0.400 . 1 . . . B 173 LEU N . 25230 1 1480 . 2 2 76 76 ARG H H 1 8.450 0.020 . 1 . . . B 174 ARG H . 25230 1 1481 . 2 2 76 76 ARG HA H 1 4.313 0.020 . 1 . . . B 174 ARG HA . 25230 1 1482 . 2 2 76 76 ARG HB2 H 1 1.788 0.020 . 1 . . . B 174 ARG HB2 . 25230 1 1483 . 2 2 76 76 ARG HB3 H 1 1.788 0.020 . 1 . . . B 174 ARG HB3 . 25230 1 1484 . 2 2 76 76 ARG HG2 H 1 1.609 0.020 . 1 . . . B 174 ARG HG2 . 25230 1 1485 . 2 2 76 76 ARG HG3 H 1 1.609 0.020 . 1 . . . B 174 ARG HG3 . 25230 1 1486 . 2 2 76 76 ARG HD2 H 1 3.169 0.020 . 1 . . . B 174 ARG HD2 . 25230 1 1487 . 2 2 76 76 ARG HD3 H 1 3.169 0.020 . 1 . . . B 174 ARG HD3 . 25230 1 1488 . 2 2 76 76 ARG C C 13 176.613 0.400 . 1 . . . B 174 ARG C . 25230 1 1489 . 2 2 76 76 ARG CA C 13 55.681 0.400 . 1 . . . B 174 ARG CA . 25230 1 1490 . 2 2 76 76 ARG CB C 13 30.450 0.400 . 1 . . . B 174 ARG CB . 25230 1 1491 . 2 2 76 76 ARG CG C 13 26.670 0.400 . 1 . . . B 174 ARG CG . 25230 1 1492 . 2 2 76 76 ARG CD C 13 42.717 0.400 . 1 . . . B 174 ARG CD . 25230 1 1493 . 2 2 76 76 ARG N N 15 122.095 0.400 . 1 . . . B 174 ARG N . 25230 1 1494 . 2 2 77 77 GLY H H 1 8.512 0.020 . 1 . . . B 175 GLY H . 25230 1 1495 . 2 2 77 77 GLY HA2 H 1 3.935 0.020 . 1 . . . B 175 GLY HA2 . 25230 1 1496 . 2 2 77 77 GLY HA3 H 1 3.935 0.020 . 1 . . . B 175 GLY HA3 . 25230 1 1497 . 2 2 77 77 GLY C C 13 173.526 0.400 . 1 . . . B 175 GLY C . 25230 1 1498 . 2 2 77 77 GLY CA C 13 44.674 0.400 . 1 . . . B 175 GLY CA . 25230 1 1499 . 2 2 77 77 GLY N N 15 111.270 0.400 . 1 . . . B 175 GLY N . 25230 1 1500 . 2 2 78 78 GLY H H 1 8.005 0.020 . 1 . . . B 176 GLY H . 25230 1 1501 . 2 2 78 78 GLY HA2 H 1 3.734 0.020 . 1 . . . B 176 GLY HA2 . 25230 1 1502 . 2 2 78 78 GLY HA3 H 1 3.734 0.020 . 1 . . . B 176 GLY HA3 . 25230 1 1503 . 2 2 78 78 GLY CA C 13 45.509 0.400 . 1 . . . B 176 GLY CA . 25230 1 1504 . 2 2 78 78 GLY N N 15 115.315 0.400 . 1 . . . B 176 GLY N . 25230 1 stop_ save_