data_25288 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25288 _Entry.Title ; Solution structure of the TRIM19 B-box1 (B1) of human promyelocytic leukemia (PML) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-17 _Entry.Accession_date 2014-10-17 _Entry.Last_release_date 2015-08-25 _Entry.Original_release_date 2015-08-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shu-Yu Huang . . . 25288 2 Mandar Naik . T. . 25288 3 Pei-Ju Fan . . . 25288 4 Ying-Hui Wang . . . 25288 5 Chi-Fon Chang . . . 25288 6 Tai-Huang Huang . . . 25288 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' . 25288 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'B box' . 25288 'E3 ligase' . 25288 'METAL BINDING PROTEIN' . 25288 PML . 25288 TRIM19 . 25288 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25288 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 25288 '15N chemical shifts' 108 25288 '1H chemical shifts' 698 25288 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 . . 2015-08-25 2014-10-17 update BMRB 'update entry citation' 25288 1 . . 2014-11-10 2014-10-17 original author 'original release' 25288 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MVW 'BMRB Entry Tracking System' 25288 stop_ save_ ############### # Citations # ############### save_PML_B1_box _Citation.Sf_category citations _Citation.Sf_framecode PML_B1_box _Citation.Entry_ID 25288 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25355412 _Citation.Full_citation . _Citation.Title ; NMR structure note: The B-box 1 dimer of human promyelocytic leukemia protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 60 _Citation.Journal_issue 4 _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 275 _Citation.Page_last 281 _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.Entry_ID _Citation_author.Citation_ID 1 Shu-Yu Huang . . . 25288 1 2 Mandar Naik . T. . 25288 1 3 Ying-Hui Wang . . . 25288 1 4 Chi-Fon Chang . . . 25288 1 5 Pei-Ju Fan . . . 25288 1 6 Hsiu-Ming Shih . . . 25288 1 7 Tai-Huang Huang . . . 25288 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25288 _Assembly.ID 1 _Assembly.Name 'TRIM19 B-box1 (B1) of human promyelocytic leukemia (PML)' _Assembly.BMRB_code . _Assembly.Number_of_components 6 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1_1 1 $entity_1 A . yes native no no . . . 25288 1 2 entity_1_2 1 $entity_1 B . yes native no no . . . 25288 1 3 'ZINC ION_1' 2 $entity_ZN C . no native no no . . . 25288 1 4 'ZINC ION_2' 2 $entity_ZN D . no native no no . . . 25288 1 5 'ZINC ION_3' 2 $entity_ZN E . no native no no . . . 25288 1 6 'ZINC ION_4' 2 $entity_ZN F . no native no no . . . 25288 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 12 12 SG . 3 . 2 ZN 1 1 ZN . . 129 CYS SG . . . ZN ZN 25288 1 2 coordinate single . 1 . 1 CYS 15 15 SG . 3 . 2 ZN 1 1 ZN . . 132 CYS SG . . . ZN ZN 25288 1 3 coordinate single . 1 . 1 CYS 31 31 SG . 3 . 2 ZN 1 1 ZN . . 148 CYS SG . . . ZN ZN 25288 1 4 coordinate single . 1 . 1 CYS 34 34 SG . 3 . 2 ZN 1 1 ZN . . 151 CYS SG . . . ZN ZN 25288 1 5 coordinate single . 1 . 1 CYS 23 23 SG . 4 . 2 ZN 1 1 ZN . . 140 CYS SG . . . ZN ZN 25288 1 6 coordinate single . 1 . 1 CYS 26 26 SG . 4 . 2 ZN 1 1 ZN . . 143 CYS SG . . . ZN ZN 25288 1 7 coordinate single . 1 . 1 HIS 38 38 NE2 . 4 . 2 ZN 1 1 ZN . . 155 HIS NE2 . . . ZN ZN 25288 1 8 coordinate single . 1 . 1 HIS 44 44 NE2 . 4 . 2 ZN 1 1 ZN . . 161 HIS NE2 . . . ZN ZN 25288 1 9 coordinate single . 2 . 1 CYS 12 12 SG . 5 . 2 ZN 1 1 ZN . . 129 CYS SG . . . ZN ZN 25288 1 10 coordinate single . 2 . 1 CYS 15 15 SG . 5 . 2 ZN 1 1 ZN . . 132 CYS SG . . . ZN ZN 25288 1 11 coordinate single . 2 . 1 CYS 31 31 SG . 5 . 2 ZN 1 1 ZN . . 148 CYS SG . . . ZN ZN 25288 1 12 coordinate single . 2 . 1 CYS 34 34 SG . 5 . 2 ZN 1 1 ZN . . 151 CYS SG . . . ZN ZN 25288 1 13 coordinate single . 2 . 1 CYS 23 23 SG . 6 . 2 ZN 1 1 ZN . . 140 CYS SG . . . ZN ZN 25288 1 14 coordinate single . 2 . 1 CYS 26 26 SG . 6 . 2 ZN 1 1 ZN . . 143 CYS SG . . . ZN ZN 25288 1 15 coordinate single . 2 . 1 HIS 38 38 NE2 . 6 . 2 ZN 1 1 ZN . . 155 HIS NE2 . . . ZN ZN 25288 1 16 coordinate single . 2 . 1 HIS 44 44 NE2 . 6 . 2 ZN 1 1 ZN . . 161 HIS NE2 . . . ZN ZN 25288 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25288 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSRQIVDAQAVCTRCKESAD FWCFECEQLLCAKCFEAHQW FLKHEARPLAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'GLY A 118, SER A 119, GLY B 118, SER B 119 come from expression tag.' _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 51 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5941.833 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MVW . "Solution Structure Of The Trim19 B-box1 (b1) Of Human Promyelocytic Leukemia (pml)" . . . . . 100.00 51 100.00 100.00 1.97e-27 . . . . 25288 1 2 no DBJ BAD92187 . "promyelocytic leukemia protein isoform 11 variant [Homo sapiens]" . . . . . 96.08 571 100.00 100.00 3.58e-25 . . . . 25288 1 3 no DBJ BAD92288 . "promyelocytic leukemia protein isoform 8 variant [Homo sapiens]" . . . . . 96.08 372 100.00 100.00 5.99e-25 . . . . 25288 1 4 no DBJ BAD92648 . "promyelocytic leukemia protein isoform 1 variant [Homo sapiens]" . . . . . 96.08 862 100.00 100.00 2.83e-25 . . . . 25288 1 5 no DBJ BAG10798 . "promyelocytic leukemia [synthetic construct]" . . . . . 96.08 834 100.00 100.00 3.23e-25 . . . . 25288 1 6 no DBJ BAG62579 . "unnamed protein product [Homo sapiens]" . . . . . 90.20 405 100.00 100.00 1.57e-23 . . . . 25288 1 7 no EMBL CAA44841 . "My1 (PML) [Homo sapiens]" . . . . . 96.08 633 100.00 100.00 2.79e-25 . . . . 25288 1 8 no GB AAA59972 . "fusion protein [Homo sapiens]" . . . . . 96.08 744 100.00 100.00 1.77e-25 . . . . 25288 1 9 no GB AAA60125 . "PML-1 protein [Homo sapiens]" . . . . . 96.08 560 100.00 100.00 2.45e-25 . . . . 25288 1 10 no GB AAA60126 . "PML-RAR protein [Homo sapiens]" . . . . . 96.08 797 100.00 100.00 6.23e-25 . . . . 25288 1 11 no GB AAA60351 . "PML-2 [Homo sapiens]" . . . . . 96.08 589 100.00 100.00 2.44e-25 . . . . 25288 1 12 no GB AAA60352 . "putative [Homo sapiens]" . . . . . 96.08 538 100.00 100.00 3.04e-25 . . . . 25288 1 13 no PIR S42517 . "PML protein, splice form 2 - human" . . . . . 96.08 589 100.00 100.00 2.32e-25 . . . . 25288 1 14 no PIR S42518 . "PML protein, splice form 3 - human" . . . . . 96.08 802 100.00 100.00 2.15e-25 . . . . 25288 1 15 no PIR S44380 . "PML protein, splice form 1 - human" . . . . . 96.08 860 100.00 100.00 3.02e-25 . . . . 25288 1 16 no REF NP_001035900 . "protein PML [Pan troglodytes]" . . . . . 96.08 884 100.00 100.00 3.19e-25 . . . . 25288 1 17 no REF NP_001266170 . "protein PML [Pan paniscus]" . . . . . 96.08 884 100.00 100.00 3.19e-25 . . . . 25288 1 18 no REF NP_001266654 . "promyelocytic leukemia [Gorilla gorilla]" . . . . . 96.08 882 100.00 100.00 3.06e-25 . . . . 25288 1 19 no REF NP_001267024 . "protein PML [Nomascus leucogenys]" . . . . . 96.08 882 100.00 100.00 3.03e-25 . . . . 25288 1 20 no REF NP_002666 . "protein PML isoform 6 [Homo sapiens]" . . . . . 96.08 633 100.00 100.00 2.79e-25 . . . . 25288 1 21 no SP P29590 . "RecName: Full=Protein PML; AltName: Full=Promyelocytic leukemia protein; AltName: Full=RING finger protein 71; AltName: Full=Tr" . . . . . 96.08 882 100.00 100.00 3.06e-25 . . . . 25288 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 118 GLY . 25288 1 2 119 SER . 25288 1 3 120 ARG . 25288 1 4 121 GLN . 25288 1 5 122 ILE . 25288 1 6 123 VAL . 25288 1 7 124 ASP . 25288 1 8 125 ALA . 25288 1 9 126 GLN . 25288 1 10 127 ALA . 25288 1 11 128 VAL . 25288 1 12 129 CYS . 25288 1 13 130 THR . 25288 1 14 131 ARG . 25288 1 15 132 CYS . 25288 1 16 133 LYS . 25288 1 17 134 GLU . 25288 1 18 135 SER . 25288 1 19 136 ALA . 25288 1 20 137 ASP . 25288 1 21 138 PHE . 25288 1 22 139 TRP . 25288 1 23 140 CYS . 25288 1 24 141 PHE . 25288 1 25 142 GLU . 25288 1 26 143 CYS . 25288 1 27 144 GLU . 25288 1 28 145 GLN . 25288 1 29 146 LEU . 25288 1 30 147 LEU . 25288 1 31 148 CYS . 25288 1 32 149 ALA . 25288 1 33 150 LYS . 25288 1 34 151 CYS . 25288 1 35 152 PHE . 25288 1 36 153 GLU . 25288 1 37 154 ALA . 25288 1 38 155 HIS . 25288 1 39 156 GLN . 25288 1 40 157 TRP . 25288 1 41 158 PHE . 25288 1 42 159 LEU . 25288 1 43 160 LYS . 25288 1 44 161 HIS . 25288 1 45 162 GLU . 25288 1 46 163 ALA . 25288 1 47 164 ARG . 25288 1 48 165 PRO . 25288 1 49 166 LEU . 25288 1 50 167 ALA . 25288 1 51 168 GLU . 25288 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 . GLY 1 1 25288 1 . SER 2 2 25288 1 . ARG 3 3 25288 1 . GLN 4 4 25288 1 . ILE 5 5 25288 1 . VAL 6 6 25288 1 . ASP 7 7 25288 1 . ALA 8 8 25288 1 . GLN 9 9 25288 1 . ALA 10 10 25288 1 . VAL 11 11 25288 1 . CYS 12 12 25288 1 . THR 13 13 25288 1 . ARG 14 14 25288 1 . CYS 15 15 25288 1 . LYS 16 16 25288 1 . GLU 17 17 25288 1 . SER 18 18 25288 1 . ALA 19 19 25288 1 . ASP 20 20 25288 1 . PHE 21 21 25288 1 . TRP 22 22 25288 1 . CYS 23 23 25288 1 . PHE 24 24 25288 1 . GLU 25 25 25288 1 . CYS 26 26 25288 1 . GLU 27 27 25288 1 . GLN 28 28 25288 1 . LEU 29 29 25288 1 . LEU 30 30 25288 1 . CYS 31 31 25288 1 . ALA 32 32 25288 1 . LYS 33 33 25288 1 . CYS 34 34 25288 1 . PHE 35 35 25288 1 . GLU 36 36 25288 1 . ALA 37 37 25288 1 . HIS 38 38 25288 1 . GLN 39 39 25288 1 . TRP 40 40 25288 1 . PHE 41 41 25288 1 . LEU 42 42 25288 1 . LYS 43 43 25288 1 . HIS 44 44 25288 1 . GLU 45 45 25288 1 . ALA 46 46 25288 1 . ARG 47 47 25288 1 . PRO 48 48 25288 1 . LEU 49 49 25288 1 . ALA 50 50 25288 1 . GLU 51 51 25288 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25288 _Entity.ID 2 _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 2 _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 25288 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25288 2 ZN 'Three letter code' 25288 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 25288 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25288 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25288 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 25288 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX4T-1 . . . 25288 1 2 2 $entity_ZN . 'obtained from a vendor' . . . . . . . . . . . . . . . . 25288 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 25288 _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 25288 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25288 ZN [Zn++] SMILES CACTVS 3.341 25288 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25288 ZN [Zn+2] SMILES ACDLabs 10.04 25288 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25288 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25288 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 25288 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25288 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 . 25288 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25288 _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 'PML B1 box' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 25288 1 2 TRIS '[U-98% 2H]' . . . . . . 25 . . mM . . . . 25288 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25288 1 4 TCEP 'natural abundance' . . . . . . 0.2 . . mM . . . . 25288 1 5 'zinc chloride' 'natural abundance' . . 2 $entity_ZN . . 1 . . mM . . . . 25288 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25288 _Sample.ID 2 _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 'PML B1 box' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 25288 2 2 TRIS '[U-98% 2H]' . . . . . . 25 . . mM . . . . 25288 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25288 2 4 TCEP 'natural abundance' . . . . . . 0.2 . . mM . . . . 25288 2 5 'zinc chloride' 'natural abundance' . . 2 $entity_ZN . . 1 . . mM . . . . 25288 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25288 _Sample.ID 3 _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 'PML B1 box' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 25288 3 2 'PML B1 box' 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM . . . . 25288 3 3 TRIS '[U-98% 2H]' . . . . . . 25 . . mM . . . . 25288 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25288 3 5 TCEP 'natural abundance' . . . . . . 0.2 . . mM . . . . 25288 3 6 'zinc chloride' 'natural abundance' . . 2 $entity_ZN . . 1 . . mM . . . . 25288 3 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 25288 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 25288 1 pressure 1 . atm 25288 1 temperature 298 . K 25288 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25288 _Software.ID 1 _Software.Name CYANA _Software.Version 3.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25288 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25288 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25288 _Software.ID 2 _Software.Name X-PLOR_NIH _Software.Version 2.26 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25288 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25288 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25288 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25288 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25288 3 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 25288 _Software.ID 4 _Software.Name Procheck _Software.Version 3.5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . 25288 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25288 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25288 _Software.ID 5 _Software.Name TALOS _Software.Version 1.2009.0721.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25288 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Torsion angles prediction' 25288 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AV600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV600 _NMR_spectrometer.Entry_ID 25288 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_AV800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV800 _NMR_spectrometer.Entry_ID 25288 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_AV850 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV850 _NMR_spectrometer.Entry_ID 25288 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25288 _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 AV600 Bruker 'Uniform NMR System' . 600 'equipped with a cryoprobe' . . 25288 1 2 AV800 Bruker 'Uniform NMR System' . 800 'equipped with a cryoprobe' . . 25288 1 3 AV850 Bruker 'Uniform NMR System' . 850 'equipped with a cryoprobe' . . 25288 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 25288 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25288 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25288 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25288 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25288 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25288 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25288 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25288 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV600 . . . . . . . . . . . . . . . . 25288 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV800 . . . . . . . . . . . . . . . . 25288 1 10 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV800 . . . . . . . . . . . . . . . . 25288 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV800 . . . . . . . . . . . . . . . . 25288 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $AV800 . . . . . . . . . . . . . . . . 25288 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $AV800 . . . . . . . . . . . . . . . . 25288 1 14 '13C-edited/12C-filtered 3D NOESY-HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $AV850 . . . . . . . . . . . . . . . . 25288 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 25288 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25288 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25288 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25288 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 25288 _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' . . . 25288 1 2 '2D 1H-13C HSQC' . . . 25288 1 3 '3D CBCA(CO)NH' . . . 25288 1 4 '3D HNCO' . . . 25288 1 5 '3D HNCA' . . . 25288 1 6 '3D H(CCO)NH' . . . 25288 1 7 '3D C(CO)NH' . . . 25288 1 8 '3D 1H-15N TOCSY' . . . 25288 1 10 '2D 1H-1H COSY' . . . 25288 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 25288 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.876 0.040 . 2 . . . A 118 GLY HA2 . 25288 1 2 . 1 1 1 1 GLY HA3 H 1 3.876 0.040 . 2 . . . A 118 GLY HA3 . 25288 1 3 . 1 1 1 1 GLY CA C 13 43.796 0.400 . 1 . . . A 118 GLY CA . 25288 1 4 . 1 1 2 2 SER HA H 1 4.498 0.040 . 1 . . . A 119 SER HA . 25288 1 5 . 1 1 2 2 SER HB2 H 1 3.858 0.040 . 2 . . . A 119 SER HB2 . 25288 1 6 . 1 1 2 2 SER HB3 H 1 3.858 0.040 . 2 . . . A 119 SER HB3 . 25288 1 7 . 1 1 2 2 SER CA C 13 58.552 0.400 . 1 . . . A 119 SER CA . 25288 1 8 . 1 1 2 2 SER CB C 13 64.262 0.400 . 1 . . . A 119 SER CB . 25288 1 9 . 1 1 3 3 ARG H H 1 8.444 0.040 . 1 . . . A 120 ARG H . 25288 1 10 . 1 1 3 3 ARG HA H 1 4.250 0.040 . 1 . . . A 120 ARG HA . 25288 1 11 . 1 1 3 3 ARG HB2 H 1 1.727 0.040 . 2 . . . A 120 ARG HB2 . 25288 1 12 . 1 1 3 3 ARG HB3 H 1 1.608 0.040 . 2 . . . A 120 ARG HB3 . 25288 1 13 . 1 1 3 3 ARG HG2 H 1 1.501 0.040 . 2 . . . A 120 ARG HG2 . 25288 1 14 . 1 1 3 3 ARG HG3 H 1 1.501 0.040 . 2 . . . A 120 ARG HG3 . 25288 1 15 . 1 1 3 3 ARG HD2 H 1 3.078 0.040 . 2 . . . A 120 ARG HD2 . 25288 1 16 . 1 1 3 3 ARG HD3 H 1 3.078 0.040 . 2 . . . A 120 ARG HD3 . 25288 1 17 . 1 1 3 3 ARG CA C 13 56.516 0.400 . 1 . . . A 120 ARG CA . 25288 1 18 . 1 1 3 3 ARG CB C 13 30.959 0.400 . 1 . . . A 120 ARG CB . 25288 1 19 . 1 1 3 3 ARG CG C 13 27.211 0.400 . 1 . . . A 120 ARG CG . 25288 1 20 . 1 1 3 3 ARG CD C 13 43.516 0.400 . 1 . . . A 120 ARG CD . 25288 1 21 . 1 1 3 3 ARG N N 15 122.938 0.400 . 1 . . . A 120 ARG N . 25288 1 22 . 1 1 4 4 GLN H H 1 8.400 0.040 . 1 . . . A 121 GLN H . 25288 1 23 . 1 1 4 4 GLN HA H 1 4.250 0.040 . 1 . . . A 121 GLN HA . 25288 1 24 . 1 1 4 4 GLN HB2 H 1 1.956 0.040 . 2 . . . A 121 GLN HB2 . 25288 1 25 . 1 1 4 4 GLN HB3 H 1 1.956 0.040 . 2 . . . A 121 GLN HB3 . 25288 1 26 . 1 1 4 4 GLN HG2 H 1 2.211 0.040 . 2 . . . A 121 GLN HG2 . 25288 1 27 . 1 1 4 4 GLN HG3 H 1 2.211 0.040 . 2 . . . A 121 GLN HG3 . 25288 1 28 . 1 1 4 4 GLN HE21 H 1 6.800 0.040 . 2 . . . A 121 GLN HE21 . 25288 1 29 . 1 1 4 4 GLN HE22 H 1 7.455 0.040 . 2 . . . A 121 GLN HE22 . 25288 1 30 . 1 1 4 4 GLN CA C 13 56.222 0.400 . 1 . . . A 121 GLN CA . 25288 1 31 . 1 1 4 4 GLN CB C 13 29.382 0.400 . 1 . . . A 121 GLN CB . 25288 1 32 . 1 1 4 4 GLN CG C 13 33.959 0.400 . 1 . . . A 121 GLN CG . 25288 1 33 . 1 1 4 4 GLN N N 15 122.309 0.400 . 1 . . . A 121 GLN N . 25288 1 34 . 1 1 4 4 GLN NE2 N 15 112.418 0.400 . 1 . . . A 121 GLN NE2 . 25288 1 35 . 1 1 5 5 ILE H H 1 8.131 0.040 . 1 . . . A 122 ILE H . 25288 1 36 . 1 1 5 5 ILE HA H 1 4.067 0.040 . 1 . . . A 122 ILE HA . 25288 1 37 . 1 1 5 5 ILE HB H 1 1.762 0.040 . 1 . . . A 122 ILE HB . 25288 1 38 . 1 1 5 5 ILE HG12 H 1 1.376 0.040 . 2 . . . A 122 ILE HG12 . 25288 1 39 . 1 1 5 5 ILE HG13 H 1 1.066 0.040 . 2 . . . A 122 ILE HG13 . 25288 1 40 . 1 1 5 5 ILE HG21 H 1 0.789 0.040 . 1 . . . A 122 ILE HG21 . 25288 1 41 . 1 1 5 5 ILE HG22 H 1 0.789 0.040 . 1 . . . A 122 ILE HG22 . 25288 1 42 . 1 1 5 5 ILE HG23 H 1 0.789 0.040 . 1 . . . A 122 ILE HG23 . 25288 1 43 . 1 1 5 5 ILE HD11 H 1 0.762 0.040 . 1 . . . A 122 ILE HD11 . 25288 1 44 . 1 1 5 5 ILE HD12 H 1 0.762 0.040 . 1 . . . A 122 ILE HD12 . 25288 1 45 . 1 1 5 5 ILE HD13 H 1 0.762 0.040 . 1 . . . A 122 ILE HD13 . 25288 1 46 . 1 1 5 5 ILE CA C 13 61.266 0.400 . 1 . . . A 122 ILE CA . 25288 1 47 . 1 1 5 5 ILE CB C 13 38.646 0.400 . 1 . . . A 122 ILE CB . 25288 1 48 . 1 1 5 5 ILE CG1 C 13 27.398 0.400 . 1 . . . A 122 ILE CG1 . 25288 1 49 . 1 1 5 5 ILE CG2 C 13 17.653 0.400 . 1 . . . A 122 ILE CG2 . 25288 1 50 . 1 1 5 5 ILE CD1 C 13 12.861 0.400 . 1 . . . A 122 ILE CD1 . 25288 1 51 . 1 1 5 5 ILE N N 15 122.804 0.400 . 1 . . . A 122 ILE N . 25288 1 52 . 1 1 6 6 VAL H H 1 8.087 0.040 . 1 . . . A 123 VAL H . 25288 1 53 . 1 1 6 6 VAL HA H 1 4.045 0.040 . 1 . . . A 123 VAL HA . 25288 1 54 . 1 1 6 6 VAL HB H 1 2.000 0.040 . 1 . . . A 123 VAL HB . 25288 1 55 . 1 1 6 6 VAL HG11 H 1 0.838 0.040 . 2 . . . A 123 VAL HG11 . 25288 1 56 . 1 1 6 6 VAL HG12 H 1 0.838 0.040 . 2 . . . A 123 VAL HG12 . 25288 1 57 . 1 1 6 6 VAL HG13 H 1 0.838 0.040 . 2 . . . A 123 VAL HG13 . 25288 1 58 . 1 1 6 6 VAL HG21 H 1 0.825 0.040 . 2 . . . A 123 VAL HG21 . 25288 1 59 . 1 1 6 6 VAL HG22 H 1 0.825 0.040 . 2 . . . A 123 VAL HG22 . 25288 1 60 . 1 1 6 6 VAL HG23 H 1 0.825 0.040 . 2 . . . A 123 VAL HG23 . 25288 1 61 . 1 1 6 6 VAL CA C 13 62.321 0.400 . 1 . . . A 123 VAL CA . 25288 1 62 . 1 1 6 6 VAL CB C 13 32.993 0.400 . 1 . . . A 123 VAL CB . 25288 1 63 . 1 1 6 6 VAL CG1 C 13 21.340 0.400 . 2 . . . A 123 VAL CG1 . 25288 1 64 . 1 1 6 6 VAL CG2 C 13 20.561 0.400 . 2 . . . A 123 VAL CG2 . 25288 1 65 . 1 1 6 6 VAL N N 15 123.773 0.400 . 1 . . . A 123 VAL N . 25288 1 66 . 1 1 7 7 ASP H H 1 8.202 0.040 . 1 . . . A 124 ASP H . 25288 1 67 . 1 1 7 7 ASP HA H 1 4.521 0.040 . 1 . . . A 124 ASP HA . 25288 1 68 . 1 1 7 7 ASP HB2 H 1 2.665 0.040 . 2 . . . A 124 ASP HB2 . 25288 1 69 . 1 1 7 7 ASP HB3 H 1 2.571 0.040 . 2 . . . A 124 ASP HB3 . 25288 1 70 . 1 1 7 7 ASP CA C 13 54.446 0.400 . 1 . . . A 124 ASP CA . 25288 1 71 . 1 1 7 7 ASP CB C 13 41.477 0.400 . 1 . . . A 124 ASP CB . 25288 1 72 . 1 1 7 7 ASP N N 15 124.000 0.400 . 1 . . . A 124 ASP N . 25288 1 73 . 1 1 8 8 ALA H H 1 8.166 0.040 . 1 . . . A 125 ALA H . 25288 1 74 . 1 1 8 8 ALA HA H 1 4.211 0.040 . 1 . . . A 125 ALA HA . 25288 1 75 . 1 1 8 8 ALA HB1 H 1 1.356 0.040 . 1 . . . A 125 ALA HB1 . 25288 1 76 . 1 1 8 8 ALA HB2 H 1 1.356 0.040 . 1 . . . A 125 ALA HB2 . 25288 1 77 . 1 1 8 8 ALA HB3 H 1 1.356 0.040 . 1 . . . A 125 ALA HB3 . 25288 1 78 . 1 1 8 8 ALA CA C 13 53.047 0.400 . 1 . . . A 125 ALA CA . 25288 1 79 . 1 1 8 8 ALA CB C 13 19.371 0.400 . 1 . . . A 125 ALA CB . 25288 1 80 . 1 1 8 8 ALA N N 15 123.995 0.400 . 1 . . . A 125 ALA N . 25288 1 81 . 1 1 9 9 GLN H H 1 8.230 0.040 . 1 . . . A 126 GLN H . 25288 1 82 . 1 1 9 9 GLN HA H 1 4.251 0.040 . 1 . . . A 126 GLN HA . 25288 1 83 . 1 1 9 9 GLN HB2 H 1 1.960 0.040 . 2 . . . A 126 GLN HB2 . 25288 1 84 . 1 1 9 9 GLN HB3 H 1 1.960 0.040 . 2 . . . A 126 GLN HB3 . 25288 1 85 . 1 1 9 9 GLN HG2 H 1 2.307 0.040 . 2 . . . A 126 GLN HG2 . 25288 1 86 . 1 1 9 9 GLN HG3 H 1 2.307 0.040 . 2 . . . A 126 GLN HG3 . 25288 1 87 . 1 1 9 9 GLN HE21 H 1 6.829 0.040 . 2 . . . A 126 GLN HE21 . 25288 1 88 . 1 1 9 9 GLN HE22 H 1 7.566 0.040 . 2 . . . A 126 GLN HE22 . 25288 1 89 . 1 1 9 9 GLN CA C 13 55.763 0.400 . 1 . . . A 126 GLN CA . 25288 1 90 . 1 1 9 9 GLN CB C 13 29.465 0.400 . 1 . . . A 126 GLN CB . 25288 1 91 . 1 1 9 9 GLN CG C 13 34.229 0.400 . 1 . . . A 126 GLN CG . 25288 1 92 . 1 1 9 9 GLN N N 15 118.018 0.400 . 1 . . . A 126 GLN N . 25288 1 93 . 1 1 9 9 GLN NE2 N 15 112.567 0.400 . 1 . . . A 126 GLN NE2 . 25288 1 94 . 1 1 10 10 ALA H H 1 8.186 0.040 . 1 . . . A 127 ALA H . 25288 1 95 . 1 1 10 10 ALA HA H 1 4.366 0.040 . 1 . . . A 127 ALA HA . 25288 1 96 . 1 1 10 10 ALA HB1 H 1 1.307 0.040 . 1 . . . A 127 ALA HB1 . 25288 1 97 . 1 1 10 10 ALA HB2 H 1 1.307 0.040 . 1 . . . A 127 ALA HB2 . 25288 1 98 . 1 1 10 10 ALA HB3 H 1 1.307 0.040 . 1 . . . A 127 ALA HB3 . 25288 1 99 . 1 1 10 10 ALA CA C 13 52.164 0.400 . 1 . . . A 127 ALA CA . 25288 1 100 . 1 1 10 10 ALA CB C 13 19.211 0.400 . 1 . . . A 127 ALA CB . 25288 1 101 . 1 1 10 10 ALA N N 15 125.931 0.400 . 1 . . . A 127 ALA N . 25288 1 102 . 1 1 11 11 VAL H H 1 8.088 0.040 . 1 . . . A 128 VAL H . 25288 1 103 . 1 1 11 11 VAL HA H 1 4.513 0.040 . 1 . . . A 128 VAL HA . 25288 1 104 . 1 1 11 11 VAL HB H 1 1.815 0.040 . 1 . . . A 128 VAL HB . 25288 1 105 . 1 1 11 11 VAL HG11 H 1 0.768 0.040 . 2 . . . A 128 VAL HG11 . 25288 1 106 . 1 1 11 11 VAL HG12 H 1 0.768 0.040 . 2 . . . A 128 VAL HG12 . 25288 1 107 . 1 1 11 11 VAL HG13 H 1 0.768 0.040 . 2 . . . A 128 VAL HG13 . 25288 1 108 . 1 1 11 11 VAL HG21 H 1 0.759 0.040 . 2 . . . A 128 VAL HG21 . 25288 1 109 . 1 1 11 11 VAL HG22 H 1 0.759 0.040 . 2 . . . A 128 VAL HG22 . 25288 1 110 . 1 1 11 11 VAL HG23 H 1 0.759 0.040 . 2 . . . A 128 VAL HG23 . 25288 1 111 . 1 1 11 11 VAL CA C 13 60.004 0.400 . 1 . . . A 128 VAL CA . 25288 1 112 . 1 1 11 11 VAL CB C 13 35.031 0.400 . 1 . . . A 128 VAL CB . 25288 1 113 . 1 1 11 11 VAL CG1 C 13 21.661 0.400 . 2 . . . A 128 VAL CG1 . 25288 1 114 . 1 1 11 11 VAL CG2 C 13 18.972 0.400 . 2 . . . A 128 VAL CG2 . 25288 1 115 . 1 1 11 11 VAL N N 15 119.197 0.400 . 1 . . . A 128 VAL N . 25288 1 116 . 1 1 12 12 CYS H H 1 9.322 0.040 . 1 . . . A 129 CYS H . 25288 1 117 . 1 1 12 12 CYS HA H 1 3.808 0.040 . 1 . . . A 129 CYS HA . 25288 1 118 . 1 1 12 12 CYS HB2 H 1 3.231 0.040 . 2 . . . A 129 CYS HB2 . 25288 1 119 . 1 1 12 12 CYS HB3 H 1 2.683 0.040 . 2 . . . A 129 CYS HB3 . 25288 1 120 . 1 1 12 12 CYS CA C 13 59.537 0.400 . 1 . . . A 129 CYS CA . 25288 1 121 . 1 1 12 12 CYS CB C 13 31.356 0.400 . 1 . . . A 129 CYS CB . 25288 1 122 . 1 1 12 12 CYS N N 15 124.743 0.400 . 1 . . . A 129 CYS N . 25288 1 123 . 1 1 13 13 THR HA H 1 4.032 0.040 . 1 . . . A 130 THR HA . 25288 1 124 . 1 1 13 13 THR HB H 1 4.331 0.040 . 1 . . . A 130 THR HB . 25288 1 125 . 1 1 13 13 THR HG21 H 1 1.611 0.040 . 1 . . . A 130 THR HG21 . 25288 1 126 . 1 1 13 13 THR HG22 H 1 1.611 0.040 . 1 . . . A 130 THR HG22 . 25288 1 127 . 1 1 13 13 THR HG23 H 1 1.611 0.040 . 1 . . . A 130 THR HG23 . 25288 1 128 . 1 1 13 13 THR CA C 13 66.242 0.400 . 1 . . . A 130 THR CA . 25288 1 129 . 1 1 13 13 THR CB C 13 70.094 0.400 . 1 . . . A 130 THR CB . 25288 1 130 . 1 1 13 13 THR CG2 C 13 23.132 0.400 . 1 . . . A 130 THR CG2 . 25288 1 131 . 1 1 14 14 ARG H H 1 8.561 0.040 . 1 . . . A 131 ARG H . 25288 1 132 . 1 1 14 14 ARG HA H 1 4.227 0.040 . 1 . . . A 131 ARG HA . 25288 1 133 . 1 1 14 14 ARG HB2 H 1 1.919 0.040 . 2 . . . A 131 ARG HB2 . 25288 1 134 . 1 1 14 14 ARG HB3 H 1 1.919 0.040 . 2 . . . A 131 ARG HB3 . 25288 1 135 . 1 1 14 14 ARG HG2 H 1 1.654 0.040 . 2 . . . A 131 ARG HG2 . 25288 1 136 . 1 1 14 14 ARG HG3 H 1 1.654 0.040 . 2 . . . A 131 ARG HG3 . 25288 1 137 . 1 1 14 14 ARG HD2 H 1 3.204 0.040 . 2 . . . A 131 ARG HD2 . 25288 1 138 . 1 1 14 14 ARG HD3 H 1 3.204 0.040 . 2 . . . A 131 ARG HD3 . 25288 1 139 . 1 1 14 14 ARG CA C 13 58.744 0.400 . 1 . . . A 131 ARG CA . 25288 1 140 . 1 1 14 14 ARG CB C 13 30.557 0.400 . 1 . . . A 131 ARG CB . 25288 1 141 . 1 1 14 14 ARG CG C 13 27.178 0.400 . 1 . . . A 131 ARG CG . 25288 1 142 . 1 1 14 14 ARG CD C 13 43.513 0.400 . 1 . . . A 131 ARG CD . 25288 1 143 . 1 1 14 14 ARG N N 15 121.745 0.400 . 1 . . . A 131 ARG N . 25288 1 144 . 1 1 15 15 CYS H H 1 8.109 0.040 . 1 . . . A 132 CYS H . 25288 1 145 . 1 1 15 15 CYS HA H 1 4.878 0.040 . 1 . . . A 132 CYS HA . 25288 1 146 . 1 1 15 15 CYS HB2 H 1 3.210 0.040 . 2 . . . A 132 CYS HB2 . 25288 1 147 . 1 1 15 15 CYS HB3 H 1 2.275 0.040 . 2 . . . A 132 CYS HB3 . 25288 1 148 . 1 1 15 15 CYS CA C 13 59.151 0.400 . 1 . . . A 132 CYS CA . 25288 1 149 . 1 1 15 15 CYS CB C 13 33.078 0.400 . 1 . . . A 132 CYS CB . 25288 1 150 . 1 1 15 15 CYS N N 15 118.014 0.400 . 1 . . . A 132 CYS N . 25288 1 151 . 1 1 16 16 LYS H H 1 7.904 0.040 . 1 . . . A 133 LYS H . 25288 1 152 . 1 1 16 16 LYS HA H 1 4.120 0.040 . 1 . . . A 133 LYS HA . 25288 1 153 . 1 1 16 16 LYS HB2 H 1 2.158 0.040 . 2 . . . A 133 LYS HB2 . 25288 1 154 . 1 1 16 16 LYS HB3 H 1 1.989 0.040 . 2 . . . A 133 LYS HB3 . 25288 1 155 . 1 1 16 16 LYS HG2 H 1 1.258 0.040 . 2 . . . A 133 LYS HG2 . 25288 1 156 . 1 1 16 16 LYS HG3 H 1 1.381 0.040 . 2 . . . A 133 LYS HG3 . 25288 1 157 . 1 1 16 16 LYS HD2 H 1 1.559 0.040 . 2 . . . A 133 LYS HD2 . 25288 1 158 . 1 1 16 16 LYS HD3 H 1 1.707 0.040 . 2 . . . A 133 LYS HD3 . 25288 1 159 . 1 1 16 16 LYS HE2 H 1 2.963 0.040 . 2 . . . A 133 LYS HE2 . 25288 1 160 . 1 1 16 16 LYS HE3 H 1 2.963 0.040 . 2 . . . A 133 LYS HE3 . 25288 1 161 . 1 1 16 16 LYS CA C 13 58.598 0.400 . 1 . . . A 133 LYS CA . 25288 1 162 . 1 1 16 16 LYS CB C 13 29.610 0.400 . 1 . . . A 133 LYS CB . 25288 1 163 . 1 1 16 16 LYS CG C 13 25.646 0.400 . 1 . . . A 133 LYS CG . 25288 1 164 . 1 1 16 16 LYS CD C 13 28.819 0.400 . 1 . . . A 133 LYS CD . 25288 1 165 . 1 1 16 16 LYS CE C 13 42.747 0.400 . 1 . . . A 133 LYS CE . 25288 1 166 . 1 1 16 16 LYS N N 15 116.830 0.400 . 1 . . . A 133 LYS N . 25288 1 167 . 1 1 17 17 GLU H H 1 8.310 0.040 . 1 . . . A 134 GLU H . 25288 1 168 . 1 1 17 17 GLU HA H 1 4.487 0.040 . 1 . . . A 134 GLU HA . 25288 1 169 . 1 1 17 17 GLU HB2 H 1 2.260 0.040 . 2 . . . A 134 GLU HB2 . 25288 1 170 . 1 1 17 17 GLU HB3 H 1 2.051 0.040 . 2 . . . A 134 GLU HB3 . 25288 1 171 . 1 1 17 17 GLU HG2 H 1 2.603 0.040 . 2 . . . A 134 GLU HG2 . 25288 1 172 . 1 1 17 17 GLU HG3 H 1 2.453 0.040 . 2 . . . A 134 GLU HG3 . 25288 1 173 . 1 1 17 17 GLU CA C 13 56.698 0.400 . 1 . . . A 134 GLU CA . 25288 1 174 . 1 1 17 17 GLU CB C 13 30.348 0.400 . 1 . . . A 134 GLU CB . 25288 1 175 . 1 1 17 17 GLU CG C 13 37.695 0.400 . 1 . . . A 134 GLU CG . 25288 1 176 . 1 1 17 17 GLU N N 15 120.535 0.400 . 1 . . . A 134 GLU N . 25288 1 177 . 1 1 18 18 SER H H 1 8.742 0.040 . 1 . . . A 135 SER H . 25288 1 178 . 1 1 18 18 SER HA H 1 4.174 0.040 . 1 . . . A 135 SER HA . 25288 1 179 . 1 1 18 18 SER HB2 H 1 3.893 0.040 . 2 . . . A 135 SER HB2 . 25288 1 180 . 1 1 18 18 SER HB3 H 1 3.844 0.040 . 2 . . . A 135 SER HB3 . 25288 1 181 . 1 1 18 18 SER CA C 13 60.751 0.400 . 1 . . . A 135 SER CA . 25288 1 182 . 1 1 18 18 SER CB C 13 63.244 0.400 . 1 . . . A 135 SER CB . 25288 1 183 . 1 1 18 18 SER N N 15 115.563 0.400 . 1 . . . A 135 SER N . 25288 1 184 . 1 1 19 19 ALA H H 1 8.009 0.040 . 1 . . . A 136 ALA H . 25288 1 185 . 1 1 19 19 ALA HA H 1 3.859 0.040 . 1 . . . A 136 ALA HA . 25288 1 186 . 1 1 19 19 ALA HB1 H 1 1.034 0.040 . 1 . . . A 136 ALA HB1 . 25288 1 187 . 1 1 19 19 ALA HB2 H 1 1.034 0.040 . 1 . . . A 136 ALA HB2 . 25288 1 188 . 1 1 19 19 ALA HB3 H 1 1.034 0.040 . 1 . . . A 136 ALA HB3 . 25288 1 189 . 1 1 19 19 ALA CA C 13 52.204 0.400 . 1 . . . A 136 ALA CA . 25288 1 190 . 1 1 19 19 ALA CB C 13 21.431 0.400 . 1 . . . A 136 ALA CB . 25288 1 191 . 1 1 19 19 ALA N N 15 123.998 0.400 . 1 . . . A 136 ALA N . 25288 1 192 . 1 1 20 20 ASP H H 1 8.253 0.040 . 1 . . . A 137 ASP H . 25288 1 193 . 1 1 20 20 ASP HA H 1 4.852 0.040 . 1 . . . A 137 ASP HA . 25288 1 194 . 1 1 20 20 ASP HB2 H 1 2.146 0.040 . 2 . . . A 137 ASP HB2 . 25288 1 195 . 1 1 20 20 ASP HB3 H 1 2.254 0.040 . 2 . . . A 137 ASP HB3 . 25288 1 196 . 1 1 20 20 ASP CA C 13 55.423 0.400 . 1 . . . A 137 ASP CA . 25288 1 197 . 1 1 20 20 ASP CB C 13 47.153 0.400 . 1 . . . A 137 ASP CB . 25288 1 198 . 1 1 20 20 ASP N N 15 117.156 0.400 . 1 . . . A 137 ASP N . 25288 1 199 . 1 1 21 21 PHE H H 1 8.610 0.040 . 1 . . . A 138 PHE H . 25288 1 200 . 1 1 21 21 PHE HA H 1 4.984 0.040 . 1 . . . A 138 PHE HA . 25288 1 201 . 1 1 21 21 PHE HB2 H 1 2.279 0.040 . 2 . . . A 138 PHE HB2 . 25288 1 202 . 1 1 21 21 PHE HB3 H 1 2.198 0.040 . 2 . . . A 138 PHE HB3 . 25288 1 203 . 1 1 21 21 PHE HD1 H 1 6.499 0.040 . 3 . . . A 138 PHE HD1 . 25288 1 204 . 1 1 21 21 PHE HD2 H 1 6.350 0.040 . 3 . . . A 138 PHE HD2 . 25288 1 205 . 1 1 21 21 PHE HE1 H 1 7.001 0.040 . 3 . . . A 138 PHE HE1 . 25288 1 206 . 1 1 21 21 PHE HE2 H 1 7.001 0.040 . 3 . . . A 138 PHE HE2 . 25288 1 207 . 1 1 21 21 PHE HZ H 1 7.129 0.040 . 1 . . . A 138 PHE HZ . 25288 1 208 . 1 1 21 21 PHE CA C 13 57.474 0.400 . 1 . . . A 138 PHE CA . 25288 1 209 . 1 1 21 21 PHE CB C 13 45.110 0.400 . 1 . . . A 138 PHE CB . 25288 1 210 . 1 1 21 21 PHE CD1 C 13 130.844 0.400 . 3 . . . A 138 PHE CD1 . 25288 1 211 . 1 1 21 21 PHE CD2 C 13 130.944 0.400 . 3 . . . A 138 PHE CD2 . 25288 1 212 . 1 1 21 21 PHE CE1 C 13 130.980 0.400 . 1 . . . A 138 PHE CE1 . 25288 1 213 . 1 1 21 21 PHE CE2 C 13 130.980 0.400 . 1 . . . A 138 PHE CE2 . 25288 1 214 . 1 1 21 21 PHE CZ C 13 130.027 0.400 . 1 . . . A 138 PHE CZ . 25288 1 215 . 1 1 21 21 PHE N N 15 118.473 0.400 . 1 . . . A 138 PHE N . 25288 1 216 . 1 1 22 22 TRP H H 1 9.011 0.040 . 1 . . . A 139 TRP H . 25288 1 217 . 1 1 22 22 TRP HA H 1 5.339 0.040 . 1 . . . A 139 TRP HA . 25288 1 218 . 1 1 22 22 TRP HB2 H 1 2.921 0.040 . 2 . . . A 139 TRP HB2 . 25288 1 219 . 1 1 22 22 TRP HB3 H 1 2.784 0.040 . 2 . . . A 139 TRP HB3 . 25288 1 220 . 1 1 22 22 TRP HD1 H 1 5.944 0.040 . 1 . . . A 139 TRP HD1 . 25288 1 221 . 1 1 22 22 TRP HE1 H 1 9.537 0.040 . 1 . . . A 139 TRP HE1 . 25288 1 222 . 1 1 22 22 TRP HE3 H 1 7.192 0.040 . 1 . . . A 139 TRP HE3 . 25288 1 223 . 1 1 22 22 TRP HZ2 H 1 7.364 0.040 . 1 . . . A 139 TRP HZ2 . 25288 1 224 . 1 1 22 22 TRP HZ3 H 1 6.875 0.040 . 1 . . . A 139 TRP HZ3 . 25288 1 225 . 1 1 22 22 TRP HH2 H 1 7.023 0.040 . 1 . . . A 139 TRP HH2 . 25288 1 226 . 1 1 22 22 TRP CA C 13 55.393 0.400 . 1 . . . A 139 TRP CA . 25288 1 227 . 1 1 22 22 TRP CB C 13 33.204 0.400 . 1 . . . A 139 TRP CB . 25288 1 228 . 1 1 22 22 TRP CD1 C 13 127.094 0.400 . 1 . . . A 139 TRP CD1 . 25288 1 229 . 1 1 22 22 TRP CE3 C 13 120.979 0.400 . 1 . . . A 139 TRP CE3 . 25288 1 230 . 1 1 22 22 TRP CZ2 C 13 114.021 0.400 . 1 . . . A 139 TRP CZ2 . 25288 1 231 . 1 1 22 22 TRP CZ3 C 13 121.121 0.400 . 1 . . . A 139 TRP CZ3 . 25288 1 232 . 1 1 22 22 TRP CH2 C 13 124.442 0.400 . 1 . . . A 139 TRP CH2 . 25288 1 233 . 1 1 22 22 TRP N N 15 121.148 0.400 . 1 . . . A 139 TRP N . 25288 1 234 . 1 1 22 22 TRP NE1 N 15 128.582 0.040 . 1 . . . A 139 TRP NE1 . 25288 1 235 . 1 1 23 23 CYS H H 1 7.967 0.040 . 1 . . . A 140 CYS H . 25288 1 236 . 1 1 23 23 CYS HA H 1 4.641 0.040 . 1 . . . A 140 CYS HA . 25288 1 237 . 1 1 23 23 CYS HB2 H 1 2.652 0.040 . 2 . . . A 140 CYS HB2 . 25288 1 238 . 1 1 23 23 CYS HB3 H 1 2.298 0.040 . 2 . . . A 140 CYS HB3 . 25288 1 239 . 1 1 23 23 CYS CA C 13 58.317 0.400 . 1 . . . A 140 CYS CA . 25288 1 240 . 1 1 23 23 CYS CB C 13 30.183 0.400 . 1 . . . A 140 CYS CB . 25288 1 241 . 1 1 23 23 CYS N N 15 126.463 0.400 . 1 . . . A 140 CYS N . 25288 1 242 . 1 1 24 24 PHE H H 1 8.607 0.040 . 1 . . . A 141 PHE H . 25288 1 243 . 1 1 24 24 PHE HA H 1 4.030 0.040 . 1 . . . A 141 PHE HA . 25288 1 244 . 1 1 24 24 PHE HB2 H 1 3.098 0.040 . 2 . . . A 141 PHE HB2 . 25288 1 245 . 1 1 24 24 PHE HB3 H 1 3.216 0.040 . 2 . . . A 141 PHE HB3 . 25288 1 246 . 1 1 24 24 PHE HD1 H 1 7.290 0.040 . 3 . . . A 141 PHE HD1 . 25288 1 247 . 1 1 24 24 PHE HD2 H 1 7.290 0.040 . 3 . . . A 141 PHE HD2 . 25288 1 248 . 1 1 24 24 PHE HE1 H 1 7.407 0.040 . 3 . . . A 141 PHE HE1 . 25288 1 249 . 1 1 24 24 PHE HE2 H 1 7.407 0.040 . 3 . . . A 141 PHE HE2 . 25288 1 250 . 1 1 24 24 PHE HZ H 1 7.398 0.040 . 1 . . . A 141 PHE HZ . 25288 1 251 . 1 1 24 24 PHE CA C 13 61.167 0.400 . 1 . . . A 141 PHE CA . 25288 1 252 . 1 1 24 24 PHE CB C 13 39.627 0.400 . 1 . . . A 141 PHE CB . 25288 1 253 . 1 1 24 24 PHE CD1 C 13 130.160 0.400 . 1 . . . A 141 PHE CD1 . 25288 1 254 . 1 1 24 24 PHE CD2 C 13 130.160 0.400 . 1 . . . A 141 PHE CD2 . 25288 1 255 . 1 1 24 24 PHE CE1 C 13 131.805 0.400 . 1 . . . A 141 PHE CE1 . 25288 1 256 . 1 1 24 24 PHE CE2 C 13 131.805 0.400 . 1 . . . A 141 PHE CE2 . 25288 1 257 . 1 1 24 24 PHE CZ C 13 130.232 0.400 . 1 . . . A 141 PHE CZ . 25288 1 258 . 1 1 24 24 PHE N N 15 127.283 0.400 . 1 . . . A 141 PHE N . 25288 1 259 . 1 1 25 25 GLU H H 1 8.435 0.040 . 1 . . . A 142 GLU H . 25288 1 260 . 1 1 25 25 GLU HA H 1 4.026 0.040 . 1 . . . A 142 GLU HA . 25288 1 261 . 1 1 25 25 GLU HB2 H 1 1.257 0.040 . 2 . . . A 142 GLU HB2 . 25288 1 262 . 1 1 25 25 GLU HB3 H 1 0.893 0.040 . 2 . . . A 142 GLU HB3 . 25288 1 263 . 1 1 25 25 GLU HG2 H 1 2.031 0.040 . 2 . . . A 142 GLU HG2 . 25288 1 264 . 1 1 25 25 GLU HG3 H 1 1.881 0.040 . 2 . . . A 142 GLU HG3 . 25288 1 265 . 1 1 25 25 GLU CA C 13 59.668 0.400 . 1 . . . A 142 GLU CA . 25288 1 266 . 1 1 25 25 GLU CB C 13 29.434 0.400 . 1 . . . A 142 GLU CB . 25288 1 267 . 1 1 25 25 GLU CG C 13 37.780 0.400 . 1 . . . A 142 GLU CG . 25288 1 268 . 1 1 25 25 GLU N N 15 121.245 0.400 . 1 . . . A 142 GLU N . 25288 1 269 . 1 1 26 26 CYS H H 1 9.099 0.040 . 1 . . . A 143 CYS H . 25288 1 270 . 1 1 26 26 CYS HA H 1 4.100 0.040 . 1 . . . A 143 CYS HA . 25288 1 271 . 1 1 26 26 CYS HB2 H 1 2.990 0.040 . 2 . . . A 143 CYS HB2 . 25288 1 272 . 1 1 26 26 CYS HB3 H 1 2.599 0.040 . 2 . . . A 143 CYS HB3 . 25288 1 273 . 1 1 26 26 CYS CA C 13 62.538 0.400 . 1 . . . A 143 CYS CA . 25288 1 274 . 1 1 26 26 CYS CB C 13 30.090 0.400 . 1 . . . A 143 CYS CB . 25288 1 275 . 1 1 26 26 CYS N N 15 121.811 0.400 . 1 . . . A 143 CYS N . 25288 1 276 . 1 1 27 27 GLU H H 1 7.440 0.040 . 1 . . . A 144 GLU H . 25288 1 277 . 1 1 27 27 GLU HB2 H 1 2.216 0.040 . 2 . . . A 144 GLU HB2 . 25288 1 278 . 1 1 27 27 GLU HB3 H 1 2.109 0.040 . 2 . . . A 144 GLU HB3 . 25288 1 279 . 1 1 27 27 GLU HG2 H 1 2.106 0.040 . 2 . . . A 144 GLU HG2 . 25288 1 280 . 1 1 27 27 GLU HG3 H 1 2.106 0.040 . 2 . . . A 144 GLU HG3 . 25288 1 281 . 1 1 27 27 GLU CA C 13 57.164 0.400 . 1 . . . A 144 GLU CA . 25288 1 282 . 1 1 27 27 GLU CB C 13 26.836 0.400 . 1 . . . A 144 GLU CB . 25288 1 283 . 1 1 27 27 GLU CG C 13 37.393 0.400 . 1 . . . A 144 GLU CG . 25288 1 284 . 1 1 27 27 GLU N N 15 115.924 0.400 . 1 . . . A 144 GLU N . 25288 1 285 . 1 1 28 28 GLN H H 1 6.085 0.040 . 1 . . . A 145 GLN H . 25288 1 286 . 1 1 28 28 GLN HA H 1 4.600 0.040 . 1 . . . A 145 GLN HA . 25288 1 287 . 1 1 28 28 GLN HB2 H 1 1.378 0.040 . 2 . . . A 145 GLN HB2 . 25288 1 288 . 1 1 28 28 GLN HB3 H 1 1.378 0.040 . 2 . . . A 145 GLN HB3 . 25288 1 289 . 1 1 28 28 GLN HG2 H 1 2.396 0.040 . 2 . . . A 145 GLN HG2 . 25288 1 290 . 1 1 28 28 GLN HG3 H 1 2.396 0.040 . 2 . . . A 145 GLN HG3 . 25288 1 291 . 1 1 28 28 GLN HE21 H 1 7.269 0.040 . 2 . . . A 145 GLN HE21 . 25288 1 292 . 1 1 28 28 GLN HE22 H 1 6.542 0.040 . 2 . . . A 145 GLN HE22 . 25288 1 293 . 1 1 28 28 GLN CA C 13 54.491 0.400 . 1 . . . A 145 GLN CA . 25288 1 294 . 1 1 28 28 GLN CB C 13 33.422 0.400 . 1 . . . A 145 GLN CB . 25288 1 295 . 1 1 28 28 GLN CG C 13 34.266 0.400 . 1 . . . A 145 GLN CG . 25288 1 296 . 1 1 28 28 GLN N N 15 113.001 0.400 . 1 . . . A 145 GLN N . 25288 1 297 . 1 1 28 28 GLN NE2 N 15 108.721 0.400 . 1 . . . A 145 GLN NE2 . 25288 1 298 . 1 1 29 29 LEU H H 1 8.170 0.040 . 1 . . . A 146 LEU H . 25288 1 299 . 1 1 29 29 LEU HA H 1 5.237 0.040 . 1 . . . A 146 LEU HA . 25288 1 300 . 1 1 29 29 LEU HB2 H 1 2.119 0.040 . 2 . . . A 146 LEU HB2 . 25288 1 301 . 1 1 29 29 LEU HB3 H 1 1.118 0.040 . 2 . . . A 146 LEU HB3 . 25288 1 302 . 1 1 29 29 LEU HG H 1 1.015 0.040 . 1 . . . A 146 LEU HG . 25288 1 303 . 1 1 29 29 LEU HD11 H 1 1.007 0.040 . 2 . . . A 146 LEU HD11 . 25288 1 304 . 1 1 29 29 LEU HD12 H 1 1.007 0.040 . 2 . . . A 146 LEU HD12 . 25288 1 305 . 1 1 29 29 LEU HD13 H 1 1.007 0.040 . 2 . . . A 146 LEU HD13 . 25288 1 306 . 1 1 29 29 LEU HD21 H 1 0.983 0.040 . 2 . . . A 146 LEU HD21 . 25288 1 307 . 1 1 29 29 LEU HD22 H 1 0.983 0.040 . 2 . . . A 146 LEU HD22 . 25288 1 308 . 1 1 29 29 LEU HD23 H 1 0.983 0.040 . 2 . . . A 146 LEU HD23 . 25288 1 309 . 1 1 29 29 LEU CA C 13 53.900 0.400 . 1 . . . A 146 LEU CA . 25288 1 310 . 1 1 29 29 LEU CB C 13 44.522 0.400 . 1 . . . A 146 LEU CB . 25288 1 311 . 1 1 29 29 LEU CG C 13 26.784 0.400 . 1 . . . A 146 LEU CG . 25288 1 312 . 1 1 29 29 LEU CD1 C 13 25.937 0.400 . 2 . . . A 146 LEU CD1 . 25288 1 313 . 1 1 29 29 LEU CD2 C 13 25.940 0.400 . 2 . . . A 146 LEU CD2 . 25288 1 314 . 1 1 29 29 LEU N N 15 123.312 0.400 . 1 . . . A 146 LEU N . 25288 1 315 . 1 1 30 30 LEU H H 1 9.056 0.040 . 1 . . . A 147 LEU H . 25288 1 316 . 1 1 30 30 LEU HB2 H 1 1.753 0.040 . 2 . . . A 147 LEU HB2 . 25288 1 317 . 1 1 30 30 LEU HB3 H 1 1.533 0.040 . 2 . . . A 147 LEU HB3 . 25288 1 318 . 1 1 30 30 LEU HG H 1 0.586 0.040 . 1 . . . A 147 LEU HG . 25288 1 319 . 1 1 30 30 LEU HD11 H 1 1.200 0.040 . 2 . . . A 147 LEU HD11 . 25288 1 320 . 1 1 30 30 LEU HD12 H 1 1.200 0.040 . 2 . . . A 147 LEU HD12 . 25288 1 321 . 1 1 30 30 LEU HD13 H 1 1.200 0.040 . 2 . . . A 147 LEU HD13 . 25288 1 322 . 1 1 30 30 LEU HD21 H 1 1.598 0.040 . 2 . . . A 147 LEU HD21 . 25288 1 323 . 1 1 30 30 LEU HD22 H 1 1.598 0.040 . 2 . . . A 147 LEU HD22 . 25288 1 324 . 1 1 30 30 LEU HD23 H 1 1.598 0.040 . 2 . . . A 147 LEU HD23 . 25288 1 325 . 1 1 30 30 LEU CA C 13 53.817 0.400 . 1 . . . A 147 LEU CA . 25288 1 326 . 1 1 30 30 LEU CB C 13 48.428 0.400 . 1 . . . A 147 LEU CB . 25288 1 327 . 1 1 30 30 LEU CG C 13 26.984 0.400 . 1 . . . A 147 LEU CG . 25288 1 328 . 1 1 30 30 LEU CD1 C 13 24.622 0.400 . 2 . . . A 147 LEU CD1 . 25288 1 329 . 1 1 30 30 LEU CD2 C 13 27.287 0.400 . 2 . . . A 147 LEU CD2 . 25288 1 330 . 1 1 30 30 LEU N N 15 121.220 0.400 . 1 . . . A 147 LEU N . 25288 1 331 . 1 1 31 31 CYS H H 1 9.563 0.040 . 1 . . . A 148 CYS H . 25288 1 332 . 1 1 31 31 CYS HA H 1 5.192 0.040 . 1 . . . A 148 CYS HA . 25288 1 333 . 1 1 31 31 CYS HB2 H 1 2.917 0.040 . 2 . . . A 148 CYS HB2 . 25288 1 334 . 1 1 31 31 CYS HB3 H 1 3.499 0.040 . 2 . . . A 148 CYS HB3 . 25288 1 335 . 1 1 31 31 CYS CA C 13 58.887 0.400 . 1 . . . A 148 CYS CA . 25288 1 336 . 1 1 31 31 CYS CB C 13 32.246 0.400 . 1 . . . A 148 CYS CB . 25288 1 337 . 1 1 31 31 CYS N N 15 122.181 0.400 . 1 . . . A 148 CYS N . 25288 1 338 . 1 1 32 32 ALA H H 1 9.755 0.040 . 1 . . . A 149 ALA H . 25288 1 339 . 1 1 32 32 ALA HA H 1 4.367 0.040 . 1 . . . A 149 ALA HA . 25288 1 340 . 1 1 32 32 ALA HB1 H 1 1.693 0.040 . 1 . . . A 149 ALA HB1 . 25288 1 341 . 1 1 32 32 ALA HB2 H 1 1.693 0.040 . 1 . . . A 149 ALA HB2 . 25288 1 342 . 1 1 32 32 ALA HB3 H 1 1.693 0.040 . 1 . . . A 149 ALA HB3 . 25288 1 343 . 1 1 32 32 ALA CA C 13 56.620 0.400 . 1 . . . A 149 ALA CA . 25288 1 344 . 1 1 32 32 ALA CB C 13 18.723 0.400 . 1 . . . A 149 ALA CB . 25288 1 345 . 1 1 32 32 ALA N N 15 122.470 0.400 . 1 . . . A 149 ALA N . 25288 1 346 . 1 1 33 33 LYS H H 1 8.164 0.040 . 1 . . . A 150 LYS H . 25288 1 347 . 1 1 33 33 LYS HA H 1 4.246 0.040 . 1 . . . A 150 LYS HA . 25288 1 348 . 1 1 33 33 LYS HB2 H 1 1.996 0.040 . 2 . . . A 150 LYS HB2 . 25288 1 349 . 1 1 33 33 LYS HB3 H 1 2.060 0.040 . 2 . . . A 150 LYS HB3 . 25288 1 350 . 1 1 33 33 LYS HG2 H 1 1.503 0.040 . 2 . . . A 150 LYS HG2 . 25288 1 351 . 1 1 33 33 LYS HG3 H 1 1.635 0.040 . 2 . . . A 150 LYS HG3 . 25288 1 352 . 1 1 33 33 LYS HD2 H 1 1.744 0.040 . 2 . . . A 150 LYS HD2 . 25288 1 353 . 1 1 33 33 LYS HD3 H 1 1.744 0.040 . 2 . . . A 150 LYS HD3 . 25288 1 354 . 1 1 33 33 LYS HE2 H 1 3.033 0.040 . 2 . . . A 150 LYS HE2 . 25288 1 355 . 1 1 33 33 LYS HE3 H 1 3.033 0.040 . 2 . . . A 150 LYS HE3 . 25288 1 356 . 1 1 33 33 LYS CA C 13 60.067 0.400 . 1 . . . A 150 LYS CA . 25288 1 357 . 1 1 33 33 LYS CB C 13 32.762 0.400 . 1 . . . A 150 LYS CB . 25288 1 358 . 1 1 33 33 LYS CG C 13 25.412 0.400 . 1 . . . A 150 LYS CG . 25288 1 359 . 1 1 33 33 LYS CD C 13 29.086 0.400 . 1 . . . A 150 LYS CD . 25288 1 360 . 1 1 33 33 LYS CE C 13 42.225 0.400 . 1 . . . A 150 LYS CE . 25288 1 361 . 1 1 33 33 LYS N N 15 119.603 0.400 . 1 . . . A 150 LYS N . 25288 1 362 . 1 1 34 34 CYS H H 1 9.488 0.040 . 1 . . . A 151 CYS H . 25288 1 363 . 1 1 34 34 CYS HA H 1 4.066 0.040 . 1 . . . A 151 CYS HA . 25288 1 364 . 1 1 34 34 CYS HB2 H 1 3.084 0.040 . 2 . . . A 151 CYS HB2 . 25288 1 365 . 1 1 34 34 CYS HB3 H 1 3.157 0.040 . 2 . . . A 151 CYS HB3 . 25288 1 366 . 1 1 34 34 CYS CA C 13 65.420 0.400 . 1 . . . A 151 CYS CA . 25288 1 367 . 1 1 34 34 CYS CB C 13 30.383 0.400 . 1 . . . A 151 CYS CB . 25288 1 368 . 1 1 34 34 CYS N N 15 126.412 0.400 . 1 . . . A 151 CYS N . 25288 1 369 . 1 1 35 35 PHE H H 1 9.542 0.040 . 1 . . . A 152 PHE H . 25288 1 370 . 1 1 35 35 PHE HA H 1 4.041 0.040 . 1 . . . A 152 PHE HA . 25288 1 371 . 1 1 35 35 PHE HB2 H 1 2.901 0.040 . 2 . . . A 152 PHE HB2 . 25288 1 372 . 1 1 35 35 PHE HB3 H 1 2.901 0.040 . 2 . . . A 152 PHE HB3 . 25288 1 373 . 1 1 35 35 PHE HD1 H 1 6.688 0.040 . 3 . . . A 152 PHE HD1 . 25288 1 374 . 1 1 35 35 PHE HD2 H 1 6.418 0.040 . 3 . . . A 152 PHE HD2 . 25288 1 375 . 1 1 35 35 PHE HE1 H 1 6.931 0.040 . 3 . . . A 152 PHE HE1 . 25288 1 376 . 1 1 35 35 PHE HE2 H 1 6.931 0.040 . 3 . . . A 152 PHE HE2 . 25288 1 377 . 1 1 35 35 PHE HZ H 1 6.991 0.040 . 1 . . . A 152 PHE HZ . 25288 1 378 . 1 1 35 35 PHE CA C 13 61.474 0.400 . 1 . . . A 152 PHE CA . 25288 1 379 . 1 1 35 35 PHE CB C 13 39.555 0.400 . 1 . . . A 152 PHE CB . 25288 1 380 . 1 1 35 35 PHE CD1 C 13 130.622 0.400 . 3 . . . A 152 PHE CD1 . 25288 1 381 . 1 1 35 35 PHE CD2 C 13 130.616 0.400 . 3 . . . A 152 PHE CD2 . 25288 1 382 . 1 1 35 35 PHE CE1 C 13 129.797 0.400 . 1 . . . A 152 PHE CE1 . 25288 1 383 . 1 1 35 35 PHE CE2 C 13 129.797 0.400 . 1 . . . A 152 PHE CE2 . 25288 1 384 . 1 1 35 35 PHE CZ C 13 130.077 0.400 . 1 . . . A 152 PHE CZ . 25288 1 385 . 1 1 35 35 PHE N N 15 121.071 0.400 . 1 . . . A 152 PHE N . 25288 1 386 . 1 1 36 36 GLU H H 1 7.981 0.040 . 1 . . . A 153 GLU H . 25288 1 387 . 1 1 36 36 GLU HA H 1 3.715 0.040 . 1 . . . A 153 GLU HA . 25288 1 388 . 1 1 36 36 GLU HB2 H 1 2.178 0.040 . 2 . . . A 153 GLU HB2 . 25288 1 389 . 1 1 36 36 GLU HB3 H 1 2.075 0.040 . 2 . . . A 153 GLU HB3 . 25288 1 390 . 1 1 36 36 GLU HG2 H 1 2.499 0.040 . 2 . . . A 153 GLU HG2 . 25288 1 391 . 1 1 36 36 GLU HG3 H 1 2.499 0.040 . 2 . . . A 153 GLU HG3 . 25288 1 392 . 1 1 36 36 GLU CA C 13 59.933 0.400 . 1 . . . A 153 GLU CA . 25288 1 393 . 1 1 36 36 GLU CB C 13 29.487 0.400 . 1 . . . A 153 GLU CB . 25288 1 394 . 1 1 36 36 GLU CG C 13 36.486 0.400 . 1 . . . A 153 GLU CG . 25288 1 395 . 1 1 36 36 GLU N N 15 119.668 0.400 . 1 . . . A 153 GLU N . 25288 1 396 . 1 1 37 37 ALA H H 1 7.137 0.040 . 1 . . . A 154 ALA H . 25288 1 397 . 1 1 37 37 ALA HA H 1 3.874 0.040 . 1 . . . A 154 ALA HA . 25288 1 398 . 1 1 37 37 ALA HB1 H 1 1.596 0.040 . 1 . . . A 154 ALA HB1 . 25288 1 399 . 1 1 37 37 ALA HB2 H 1 1.596 0.040 . 1 . . . A 154 ALA HB2 . 25288 1 400 . 1 1 37 37 ALA HB3 H 1 1.596 0.040 . 1 . . . A 154 ALA HB3 . 25288 1 401 . 1 1 37 37 ALA CA C 13 55.226 0.400 . 1 . . . A 154 ALA CA . 25288 1 402 . 1 1 37 37 ALA CB C 13 18.061 0.400 . 1 . . . A 154 ALA CB . 25288 1 403 . 1 1 37 37 ALA N N 15 120.177 0.400 . 1 . . . A 154 ALA N . 25288 1 404 . 1 1 38 38 HIS H H 1 8.279 0.040 . 1 . . . A 155 HIS H . 25288 1 405 . 1 1 38 38 HIS HA H 1 4.043 0.040 . 1 . . . A 155 HIS HA . 25288 1 406 . 1 1 38 38 HIS HB2 H 1 3.200 0.040 . 2 . . . A 155 HIS HB2 . 25288 1 407 . 1 1 38 38 HIS HB3 H 1 2.859 0.040 . 2 . . . A 155 HIS HB3 . 25288 1 408 . 1 1 38 38 HIS HD2 H 1 6.824 0.040 . 1 . . . A 155 HIS HD2 . 25288 1 409 . 1 1 38 38 HIS HE1 H 1 7.971 0.040 . 1 . . . A 155 HIS HE1 . 25288 1 410 . 1 1 38 38 HIS CA C 13 59.924 0.400 . 1 . . . A 155 HIS CA . 25288 1 411 . 1 1 38 38 HIS CB C 13 28.555 0.400 . 1 . . . A 155 HIS CB . 25288 1 412 . 1 1 38 38 HIS CD2 C 13 127.627 0.400 . 1 . . . A 155 HIS CD2 . 25288 1 413 . 1 1 38 38 HIS CE1 C 13 140.351 0.400 . 1 . . . A 155 HIS CE1 . 25288 1 414 . 1 1 38 38 HIS N N 15 119.388 0.400 . 1 . . . A 155 HIS N . 25288 1 415 . 1 1 39 39 GLN H H 1 8.104 0.040 . 1 . . . A 156 GLN H . 25288 1 416 . 1 1 39 39 GLN HA H 1 3.819 0.040 . 1 . . . A 156 GLN HA . 25288 1 417 . 1 1 39 39 GLN HB2 H 1 1.704 0.040 . 2 . . . A 156 GLN HB2 . 25288 1 418 . 1 1 39 39 GLN HB3 H 1 1.704 0.040 . 2 . . . A 156 GLN HB3 . 25288 1 419 . 1 1 39 39 GLN HG2 H 1 1.731 0.040 . 2 . . . A 156 GLN HG2 . 25288 1 420 . 1 1 39 39 GLN HG3 H 1 1.731 0.040 . 2 . . . A 156 GLN HG3 . 25288 1 421 . 1 1 39 39 GLN HE21 H 1 7.213 0.040 . 2 . . . A 156 GLN HE21 . 25288 1 422 . 1 1 39 39 GLN HE22 H 1 7.459 0.040 . 2 . . . A 156 GLN HE22 . 25288 1 423 . 1 1 39 39 GLN CA C 13 56.820 0.400 . 1 . . . A 156 GLN CA . 25288 1 424 . 1 1 39 39 GLN CB C 13 29.605 0.400 . 1 . . . A 156 GLN CB . 25288 1 425 . 1 1 39 39 GLN CG C 13 34.002 0.400 . 1 . . . A 156 GLN CG . 25288 1 426 . 1 1 39 39 GLN N N 15 114.980 0.400 . 1 . . . A 156 GLN N . 25288 1 427 . 1 1 39 39 GLN NE2 N 15 113.099 0.400 . 1 . . . A 156 GLN NE2 . 25288 1 428 . 1 1 40 40 TRP H H 1 7.349 0.040 . 1 . . . A 157 TRP H . 25288 1 429 . 1 1 40 40 TRP HA H 1 4.054 0.040 . 1 . . . A 157 TRP HA . 25288 1 430 . 1 1 40 40 TRP HB2 H 1 3.114 0.040 . 2 . . . A 157 TRP HB2 . 25288 1 431 . 1 1 40 40 TRP HB3 H 1 2.810 0.040 . 2 . . . A 157 TRP HB3 . 25288 1 432 . 1 1 40 40 TRP HD1 H 1 6.362 0.040 . 1 . . . A 157 TRP HD1 . 25288 1 433 . 1 1 40 40 TRP HE1 H 1 10.340 0.040 . 1 . . . A 157 TRP HE1 . 25288 1 434 . 1 1 40 40 TRP HE3 H 1 7.019 0.040 . 1 . . . A 157 TRP HE3 . 25288 1 435 . 1 1 40 40 TRP HZ2 H 1 7.131 0.040 . 1 . . . A 157 TRP HZ2 . 25288 1 436 . 1 1 40 40 TRP HZ3 H 1 7.038 0.040 . 1 . . . A 157 TRP HZ3 . 25288 1 437 . 1 1 40 40 TRP HH2 H 1 7.076 0.040 . 1 . . . A 157 TRP HH2 . 25288 1 438 . 1 1 40 40 TRP CA C 13 59.578 0.400 . 1 . . . A 157 TRP CA . 25288 1 439 . 1 1 40 40 TRP CB C 13 28.962 0.400 . 1 . . . A 157 TRP CB . 25288 1 440 . 1 1 40 40 TRP CD1 C 13 127.365 0.400 . 1 . . . A 157 TRP CD1 . 25288 1 441 . 1 1 40 40 TRP CE3 C 13 121.023 0.400 . 1 . . . A 157 TRP CE3 . 25288 1 442 . 1 1 40 40 TRP CZ2 C 13 113.840 0.400 . 1 . . . A 157 TRP CZ2 . 25288 1 443 . 1 1 40 40 TRP CZ3 C 13 121.969 0.400 . 1 . . . A 157 TRP CZ3 . 25288 1 444 . 1 1 40 40 TRP CH2 C 13 124.600 0.400 . 1 . . . A 157 TRP CH2 . 25288 1 445 . 1 1 40 40 TRP N N 15 118.736 0.400 . 1 . . . A 157 TRP N . 25288 1 446 . 1 1 40 40 TRP NE1 N 15 130.108 0.040 . 1 . . . A 157 TRP NE1 . 25288 1 447 . 1 1 41 41 PHE H H 1 7.455 0.040 . 1 . . . A 158 PHE H . 25288 1 448 . 1 1 41 41 PHE HA H 1 4.286 0.040 . 1 . . . A 158 PHE HA . 25288 1 449 . 1 1 41 41 PHE HB2 H 1 3.066 0.040 . 2 . . . A 158 PHE HB2 . 25288 1 450 . 1 1 41 41 PHE HB3 H 1 2.408 0.040 . 2 . . . A 158 PHE HB3 . 25288 1 451 . 1 1 41 41 PHE HD1 H 1 6.838 0.040 . 3 . . . A 158 PHE HD1 . 25288 1 452 . 1 1 41 41 PHE HD2 H 1 6.838 0.040 . 3 . . . A 158 PHE HD2 . 25288 1 453 . 1 1 41 41 PHE HE1 H 1 7.330 0.040 . 3 . . . A 158 PHE HE1 . 25288 1 454 . 1 1 41 41 PHE HE2 H 1 7.330 0.040 . 3 . . . A 158 PHE HE2 . 25288 1 455 . 1 1 41 41 PHE CA C 13 60.789 0.400 . 1 . . . A 158 PHE CA . 25288 1 456 . 1 1 41 41 PHE CB C 13 40.921 0.400 . 1 . . . A 158 PHE CB . 25288 1 457 . 1 1 41 41 PHE CD1 C 13 130.644 0.400 . 1 . . . A 158 PHE CD1 . 25288 1 458 . 1 1 41 41 PHE CD2 C 13 130.644 0.400 . 1 . . . A 158 PHE CD2 . 25288 1 459 . 1 1 41 41 PHE CE1 C 13 131.225 0.400 . 1 . . . A 158 PHE CE1 . 25288 1 460 . 1 1 41 41 PHE CE2 C 13 131.225 0.400 . 1 . . . A 158 PHE CE2 . 25288 1 461 . 1 1 41 41 PHE N N 15 113.516 0.400 . 1 . . . A 158 PHE N . 25288 1 462 . 1 1 42 42 LEU H H 1 7.833 0.040 . 1 . . . A 159 LEU H . 25288 1 463 . 1 1 42 42 LEU HA H 1 4.181 0.040 . 1 . . . A 159 LEU HA . 25288 1 464 . 1 1 42 42 LEU HB2 H 1 0.493 0.040 . 2 . . . A 159 LEU HB2 . 25288 1 465 . 1 1 42 42 LEU HB3 H 1 0.536 0.040 . 2 . . . A 159 LEU HB3 . 25288 1 466 . 1 1 42 42 LEU HG H 1 0.380 0.040 . 1 . . . A 159 LEU HG . 25288 1 467 . 1 1 42 42 LEU HD11 H 1 0.543 0.040 . 2 . . . A 159 LEU HD11 . 25288 1 468 . 1 1 42 42 LEU HD12 H 1 0.543 0.040 . 2 . . . A 159 LEU HD12 . 25288 1 469 . 1 1 42 42 LEU HD13 H 1 0.543 0.040 . 2 . . . A 159 LEU HD13 . 25288 1 470 . 1 1 42 42 LEU HD21 H 1 0.938 0.040 . 2 . . . A 159 LEU HD21 . 25288 1 471 . 1 1 42 42 LEU HD22 H 1 0.938 0.040 . 2 . . . A 159 LEU HD22 . 25288 1 472 . 1 1 42 42 LEU HD23 H 1 0.938 0.040 . 2 . . . A 159 LEU HD23 . 25288 1 473 . 1 1 42 42 LEU CA C 13 53.838 0.400 . 1 . . . A 159 LEU CA . 25288 1 474 . 1 1 42 42 LEU CB C 13 44.243 0.400 . 1 . . . A 159 LEU CB . 25288 1 475 . 1 1 42 42 LEU CG C 13 26.325 0.400 . 1 . . . A 159 LEU CG . 25288 1 476 . 1 1 42 42 LEU CD1 C 13 23.491 0.400 . 2 . . . A 159 LEU CD1 . 25288 1 477 . 1 1 42 42 LEU CD2 C 13 26.137 0.400 . 2 . . . A 159 LEU CD2 . 25288 1 478 . 1 1 42 42 LEU N N 15 118.805 0.400 . 1 . . . A 159 LEU N . 25288 1 479 . 1 1 43 43 LYS H H 1 7.997 0.040 . 1 . . . A 160 LYS H . 25288 1 480 . 1 1 43 43 LYS HA H 1 4.242 0.040 . 1 . . . A 160 LYS HA . 25288 1 481 . 1 1 43 43 LYS HB2 H 1 1.714 0.040 . 2 . . . A 160 LYS HB2 . 25288 1 482 . 1 1 43 43 LYS HB3 H 1 1.627 0.040 . 2 . . . A 160 LYS HB3 . 25288 1 483 . 1 1 43 43 LYS HG2 H 1 1.237 0.040 . 2 . . . A 160 LYS HG2 . 25288 1 484 . 1 1 43 43 LYS HG3 H 1 1.164 0.040 . 2 . . . A 160 LYS HG3 . 25288 1 485 . 1 1 43 43 LYS HD2 H 1 1.487 0.040 . 2 . . . A 160 LYS HD2 . 25288 1 486 . 1 1 43 43 LYS HD3 H 1 1.487 0.040 . 2 . . . A 160 LYS HD3 . 25288 1 487 . 1 1 43 43 LYS HE2 H 1 2.879 0.040 . 2 . . . A 160 LYS HE2 . 25288 1 488 . 1 1 43 43 LYS HE3 H 1 2.821 0.040 . 2 . . . A 160 LYS HE3 . 25288 1 489 . 1 1 43 43 LYS CA C 13 55.141 0.400 . 1 . . . A 160 LYS CA . 25288 1 490 . 1 1 43 43 LYS CB C 13 31.192 0.400 . 1 . . . A 160 LYS CB . 25288 1 491 . 1 1 43 43 LYS CG C 13 24.513 0.400 . 1 . . . A 160 LYS CG . 25288 1 492 . 1 1 43 43 LYS CD C 13 28.926 0.400 . 1 . . . A 160 LYS CD . 25288 1 493 . 1 1 43 43 LYS CE C 13 42.443 0.400 . 1 . . . A 160 LYS CE . 25288 1 494 . 1 1 43 43 LYS N N 15 120.854 0.400 . 1 . . . A 160 LYS N . 25288 1 495 . 1 1 44 44 HIS H H 1 8.289 0.040 . 1 . . . A 161 HIS H . 25288 1 496 . 1 1 44 44 HIS HA H 1 5.115 0.040 . 1 . . . A 161 HIS HA . 25288 1 497 . 1 1 44 44 HIS HB2 H 1 3.555 0.040 . 2 . . . A 161 HIS HB2 . 25288 1 498 . 1 1 44 44 HIS HB3 H 1 2.868 0.040 . 2 . . . A 161 HIS HB3 . 25288 1 499 . 1 1 44 44 HIS HD2 H 1 6.905 0.040 . 1 . . . A 161 HIS HD2 . 25288 1 500 . 1 1 44 44 HIS HE1 H 1 7.605 0.040 . 1 . . . A 161 HIS HE1 . 25288 1 501 . 1 1 44 44 HIS CA C 13 52.378 0.400 . 1 . . . A 161 HIS CA . 25288 1 502 . 1 1 44 44 HIS CB C 13 38.129 0.400 . 1 . . . A 161 HIS CB . 25288 1 503 . 1 1 44 44 HIS CD2 C 13 117.395 0.400 . 1 . . . A 161 HIS CD2 . 25288 1 504 . 1 1 44 44 HIS CE1 C 13 139.519 0.400 . 1 . . . A 161 HIS CE1 . 25288 1 505 . 1 1 44 44 HIS N N 15 122.514 0.400 . 1 . . . A 161 HIS N . 25288 1 506 . 1 1 45 45 GLU H H 1 9.324 0.040 . 1 . . . A 162 GLU H . 25288 1 507 . 1 1 45 45 GLU HA H 1 4.571 0.040 . 1 . . . A 162 GLU HA . 25288 1 508 . 1 1 45 45 GLU HB2 H 1 2.069 0.040 . 2 . . . A 162 GLU HB2 . 25288 1 509 . 1 1 45 45 GLU HB3 H 1 2.220 0.040 . 2 . . . A 162 GLU HB3 . 25288 1 510 . 1 1 45 45 GLU HG2 H 1 2.283 0.040 . 2 . . . A 162 GLU HG2 . 25288 1 511 . 1 1 45 45 GLU HG3 H 1 2.380 0.040 . 2 . . . A 162 GLU HG3 . 25288 1 512 . 1 1 45 45 GLU CA C 13 56.528 0.400 . 1 . . . A 162 GLU CA . 25288 1 513 . 1 1 45 45 GLU CB C 13 30.271 0.400 . 1 . . . A 162 GLU CB . 25288 1 514 . 1 1 45 45 GLU CG C 13 36.326 0.400 . 1 . . . A 162 GLU CG . 25288 1 515 . 1 1 45 45 GLU N N 15 123.113 0.400 . 1 . . . A 162 GLU N . 25288 1 516 . 1 1 46 46 ALA H H 1 8.335 0.040 . 1 . . . A 163 ALA H . 25288 1 517 . 1 1 46 46 ALA HA H 1 5.172 0.040 . 1 . . . A 163 ALA HA . 25288 1 518 . 1 1 46 46 ALA HB1 H 1 1.367 0.040 . 1 . . . A 163 ALA HB1 . 25288 1 519 . 1 1 46 46 ALA HB2 H 1 1.367 0.040 . 1 . . . A 163 ALA HB2 . 25288 1 520 . 1 1 46 46 ALA HB3 H 1 1.367 0.040 . 1 . . . A 163 ALA HB3 . 25288 1 521 . 1 1 46 46 ALA CA C 13 51.676 0.400 . 1 . . . A 163 ALA CA . 25288 1 522 . 1 1 46 46 ALA CB C 13 23.038 0.400 . 1 . . . A 163 ALA CB . 25288 1 523 . 1 1 46 46 ALA N N 15 126.233 0.400 . 1 . . . A 163 ALA N . 25288 1 524 . 1 1 47 47 ARG H H 1 8.960 0.040 . 1 . . . A 164 ARG H . 25288 1 525 . 1 1 47 47 ARG HA H 1 5.307 0.040 . 1 . . . A 164 ARG HA . 25288 1 526 . 1 1 47 47 ARG HB2 H 1 2.001 0.040 . 2 . . . A 164 ARG HB2 . 25288 1 527 . 1 1 47 47 ARG HB3 H 1 2.094 0.040 . 2 . . . A 164 ARG HB3 . 25288 1 528 . 1 1 47 47 ARG HG2 H 1 1.762 0.040 . 2 . . . A 164 ARG HG2 . 25288 1 529 . 1 1 47 47 ARG HG3 H 1 1.762 0.040 . 2 . . . A 164 ARG HG3 . 25288 1 530 . 1 1 47 47 ARG HD2 H 1 3.338 0.040 . 2 . . . A 164 ARG HD2 . 25288 1 531 . 1 1 47 47 ARG HD3 H 1 3.338 0.040 . 2 . . . A 164 ARG HD3 . 25288 1 532 . 1 1 47 47 ARG HE H 1 7.279 0.040 . 1 . . . A 164 ARG HE . 25288 1 533 . 1 1 47 47 ARG CA C 13 53.204 0.400 . 1 . . . A 164 ARG CA . 25288 1 534 . 1 1 47 47 ARG CB C 13 32.570 0.400 . 1 . . . A 164 ARG CB . 25288 1 535 . 1 1 47 47 ARG CG C 13 26.697 0.400 . 1 . . . A 164 ARG CG . 25288 1 536 . 1 1 47 47 ARG CD C 13 43.684 0.400 . 1 . . . A 164 ARG CD . 25288 1 537 . 1 1 47 47 ARG N N 15 118.539 0.400 . 1 . . . A 164 ARG N . 25288 1 538 . 1 1 47 47 ARG NE N 15 84.587 0.040 . 1 . . . A 164 ARG NE . 25288 1 539 . 1 1 48 48 PRO HA H 1 4.421 0.040 . 1 . . . A 165 PRO HA . 25288 1 540 . 1 1 48 48 PRO HB2 H 1 2.124 0.040 . 2 . . . A 165 PRO HB2 . 25288 1 541 . 1 1 48 48 PRO HB3 H 1 1.838 0.040 . 2 . . . A 165 PRO HB3 . 25288 1 542 . 1 1 48 48 PRO HG2 H 1 2.084 0.040 . 2 . . . A 165 PRO HG2 . 25288 1 543 . 1 1 48 48 PRO HG3 H 1 2.151 0.040 . 2 . . . A 165 PRO HG3 . 25288 1 544 . 1 1 48 48 PRO HD2 H 1 3.830 0.040 . 2 . . . A 165 PRO HD2 . 25288 1 545 . 1 1 48 48 PRO HD3 H 1 4.020 0.040 . 2 . . . A 165 PRO HD3 . 25288 1 546 . 1 1 48 48 PRO CA C 13 62.259 0.400 . 1 . . . A 165 PRO CA . 25288 1 547 . 1 1 48 48 PRO CB C 13 32.121 0.400 . 1 . . . A 165 PRO CB . 25288 1 548 . 1 1 48 48 PRO CG C 13 27.673 0.400 . 1 . . . A 165 PRO CG . 25288 1 549 . 1 1 48 48 PRO CD C 13 51.260 0.400 . 1 . . . A 165 PRO CD . 25288 1 550 . 1 1 49 49 LEU H H 1 7.720 0.040 . 1 . . . A 166 LEU H . 25288 1 551 . 1 1 49 49 LEU HA H 1 4.018 0.040 . 1 . . . A 166 LEU HA . 25288 1 552 . 1 1 49 49 LEU HB2 H 1 1.306 0.040 . 2 . . . A 166 LEU HB2 . 25288 1 553 . 1 1 49 49 LEU HB3 H 1 1.379 0.040 . 2 . . . A 166 LEU HB3 . 25288 1 554 . 1 1 49 49 LEU HG H 1 1.160 0.040 . 1 . . . A 166 LEU HG . 25288 1 555 . 1 1 49 49 LEU HD11 H 1 0.583 0.040 . 2 . . . A 166 LEU HD11 . 25288 1 556 . 1 1 49 49 LEU HD12 H 1 0.583 0.040 . 2 . . . A 166 LEU HD12 . 25288 1 557 . 1 1 49 49 LEU HD13 H 1 0.583 0.040 . 2 . . . A 166 LEU HD13 . 25288 1 558 . 1 1 49 49 LEU HD21 H 1 0.646 0.040 . 2 . . . A 166 LEU HD21 . 25288 1 559 . 1 1 49 49 LEU HD22 H 1 0.646 0.040 . 2 . . . A 166 LEU HD22 . 25288 1 560 . 1 1 49 49 LEU HD23 H 1 0.646 0.040 . 2 . . . A 166 LEU HD23 . 25288 1 561 . 1 1 49 49 LEU CA C 13 55.981 0.400 . 1 . . . A 166 LEU CA . 25288 1 562 . 1 1 49 49 LEU CB C 13 41.888 0.400 . 1 . . . A 166 LEU CB . 25288 1 563 . 1 1 49 49 LEU CG C 13 27.290 0.400 . 1 . . . A 166 LEU CG . 25288 1 564 . 1 1 49 49 LEU CD1 C 13 25.269 0.400 . 2 . . . A 166 LEU CD1 . 25288 1 565 . 1 1 49 49 LEU CD2 C 13 23.075 0.400 . 2 . . . A 166 LEU CD2 . 25288 1 566 . 1 1 49 49 LEU N N 15 121.733 0.400 . 1 . . . A 166 LEU N . 25288 1 567 . 1 1 50 50 ALA H H 1 7.988 0.040 . 1 . . . A 167 ALA H . 25288 1 568 . 1 1 50 50 ALA HA H 1 4.332 0.040 . 1 . . . A 167 ALA HA . 25288 1 569 . 1 1 50 50 ALA HB1 H 1 1.284 0.040 . 1 . . . A 167 ALA HB1 . 25288 1 570 . 1 1 50 50 ALA HB2 H 1 1.284 0.040 . 1 . . . A 167 ALA HB2 . 25288 1 571 . 1 1 50 50 ALA HB3 H 1 1.284 0.040 . 1 . . . A 167 ALA HB3 . 25288 1 572 . 1 1 50 50 ALA CA C 13 52.185 0.400 . 1 . . . A 167 ALA CA . 25288 1 573 . 1 1 50 50 ALA CB C 13 19.634 0.400 . 1 . . . A 167 ALA CB . 25288 1 574 . 1 1 50 50 ALA N N 15 122.477 0.400 . 1 . . . A 167 ALA N . 25288 1 575 . 1 1 51 51 GLU H H 1 7.807 0.040 . 1 . . . A 168 GLU H . 25288 1 576 . 1 1 51 51 GLU HA H 1 4.070 0.040 . 1 . . . A 168 GLU HA . 25288 1 577 . 1 1 51 51 GLU HB2 H 1 1.849 0.040 . 2 . . . A 168 GLU HB2 . 25288 1 578 . 1 1 51 51 GLU HB3 H 1 2.019 0.040 . 2 . . . A 168 GLU HB3 . 25288 1 579 . 1 1 51 51 GLU HG2 H 1 2.174 0.040 . 2 . . . A 168 GLU HG2 . 25288 1 580 . 1 1 51 51 GLU HG3 H 1 2.174 0.040 . 2 . . . A 168 GLU HG3 . 25288 1 581 . 1 1 51 51 GLU CA C 13 58.155 0.400 . 1 . . . A 168 GLU CA . 25288 1 582 . 1 1 51 51 GLU CB C 13 31.555 0.400 . 1 . . . A 168 GLU CB . 25288 1 583 . 1 1 51 51 GLU CG C 13 36.977 0.400 . 1 . . . A 168 GLU CG . 25288 1 584 . 1 1 51 51 GLU N N 15 125.582 0.400 . 1 . . . A 168 GLU N . 25288 1 585 . 2 1 1 1 GLY HA2 H 1 3.876 0.040 . 2 . . . . 218 GLY QA . 25288 1 586 . 2 1 1 1 GLY HA3 H 1 3.876 0.040 . 2 . . . . 218 GLY QA . 25288 1 587 . 2 1 1 1 GLY CA C 13 43.796 0.400 . 1 . . . . 218 GLY CA . 25288 1 588 . 2 1 2 2 SER HA H 1 4.498 0.040 . 1 . . . . 219 SER HA . 25288 1 589 . 2 1 2 2 SER HB2 H 1 3.858 0.040 . 2 . . . . 219 SER QB . 25288 1 590 . 2 1 2 2 SER HB3 H 1 3.858 0.040 . 2 . . . . 219 SER QB . 25288 1 591 . 2 1 2 2 SER CA C 13 58.552 0.400 . 1 . . . . 219 SER CA . 25288 1 592 . 2 1 2 2 SER CB C 13 64.262 0.400 . 1 . . . . 219 SER CB . 25288 1 593 . 2 1 3 3 ARG H H 1 8.444 0.040 . 1 . . . . 220 ARG H . 25288 1 594 . 2 1 3 3 ARG HA H 1 4.250 0.040 . 1 . . . . 220 ARG HA . 25288 1 595 . 2 1 3 3 ARG HB2 H 1 1.727 0.040 . 2 . . . . 220 ARG HB2 . 25288 1 596 . 2 1 3 3 ARG HB3 H 1 1.608 0.040 . 2 . . . . 220 ARG HB3 . 25288 1 597 . 2 1 3 3 ARG HG2 H 1 1.501 0.040 . 2 . . . . 220 ARG QG . 25288 1 598 . 2 1 3 3 ARG HG3 H 1 1.501 0.040 . 2 . . . . 220 ARG QG . 25288 1 599 . 2 1 3 3 ARG HD2 H 1 3.078 0.040 . 2 . . . . 220 ARG QD . 25288 1 600 . 2 1 3 3 ARG HD3 H 1 3.078 0.040 . 2 . . . . 220 ARG QD . 25288 1 601 . 2 1 3 3 ARG CA C 13 56.516 0.400 . 1 . . . . 220 ARG CA . 25288 1 602 . 2 1 3 3 ARG CB C 13 30.959 0.400 . 1 . . . . 220 ARG CB . 25288 1 603 . 2 1 3 3 ARG CG C 13 27.211 0.400 . 1 . . . . 220 ARG CG . 25288 1 604 . 2 1 3 3 ARG CD C 13 43.516 0.400 . 1 . . . . 220 ARG CD . 25288 1 605 . 2 1 3 3 ARG N N 15 122.938 0.400 . 1 . . . . 220 ARG N . 25288 1 606 . 2 1 4 4 GLN H H 1 8.400 0.040 . 1 . . . . 221 GLN H . 25288 1 607 . 2 1 4 4 GLN HA H 1 4.250 0.040 . 1 . . . . 221 GLN HA . 25288 1 608 . 2 1 4 4 GLN HB2 H 1 1.956 0.040 . 2 . . . . 221 GLN QB . 25288 1 609 . 2 1 4 4 GLN HB3 H 1 1.956 0.040 . 2 . . . . 221 GLN QB . 25288 1 610 . 2 1 4 4 GLN HG2 H 1 2.211 0.040 . 2 . . . . 221 GLN QG . 25288 1 611 . 2 1 4 4 GLN HG3 H 1 2.211 0.040 . 2 . . . . 221 GLN QG . 25288 1 612 . 2 1 4 4 GLN HE21 H 1 6.800 0.040 . 2 . . . . 221 GLN HE21 . 25288 1 613 . 2 1 4 4 GLN HE22 H 1 7.455 0.040 . 2 . . . . 221 GLN HE22 . 25288 1 614 . 2 1 4 4 GLN CA C 13 56.222 0.400 . 1 . . . . 221 GLN CA . 25288 1 615 . 2 1 4 4 GLN CB C 13 29.382 0.400 . 1 . . . . 221 GLN CB . 25288 1 616 . 2 1 4 4 GLN CG C 13 33.959 0.400 . 1 . . . . 221 GLN CG . 25288 1 617 . 2 1 4 4 GLN N N 15 122.309 0.400 . 1 . . . . 221 GLN N . 25288 1 618 . 2 1 4 4 GLN NE2 N 15 112.418 0.400 . 1 . . . . 221 GLN NE2 . 25288 1 619 . 2 1 5 5 ILE H H 1 8.131 0.040 . 1 . . . . 222 ILE H . 25288 1 620 . 2 1 5 5 ILE HA H 1 4.067 0.040 . 1 . . . . 222 ILE HA . 25288 1 621 . 2 1 5 5 ILE HB H 1 1.762 0.040 . 1 . . . . 222 ILE HB . 25288 1 622 . 2 1 5 5 ILE HG12 H 1 1.376 0.040 . 2 . . . . 222 ILE HG12 . 25288 1 623 . 2 1 5 5 ILE HG13 H 1 1.066 0.040 . 2 . . . . 222 ILE HG13 . 25288 1 624 . 2 1 5 5 ILE HG21 H 1 0.789 0.040 . 1 . . . . 222 ILE HG2 . 25288 1 625 . 2 1 5 5 ILE HG22 H 1 0.789 0.040 . 1 . . . . 222 ILE HG2 . 25288 1 626 . 2 1 5 5 ILE HG23 H 1 0.789 0.040 . 1 . . . . 222 ILE HG2 . 25288 1 627 . 2 1 5 5 ILE HD11 H 1 0.762 0.040 . 1 . . . . 222 ILE HD1 . 25288 1 628 . 2 1 5 5 ILE HD12 H 1 0.762 0.040 . 1 . . . . 222 ILE HD1 . 25288 1 629 . 2 1 5 5 ILE HD13 H 1 0.762 0.040 . 1 . . . . 222 ILE HD1 . 25288 1 630 . 2 1 5 5 ILE CA C 13 61.266 0.400 . 1 . . . . 222 ILE CA . 25288 1 631 . 2 1 5 5 ILE CB C 13 38.646 0.400 . 1 . . . . 222 ILE CB . 25288 1 632 . 2 1 5 5 ILE CG1 C 13 27.398 0.400 . 1 . . . . 222 ILE CG1 . 25288 1 633 . 2 1 5 5 ILE CG2 C 13 17.653 0.400 . 1 . . . . 222 ILE CG2 . 25288 1 634 . 2 1 5 5 ILE CD1 C 13 12.861 0.400 . 1 . . . . 222 ILE CD1 . 25288 1 635 . 2 1 5 5 ILE N N 15 122.804 0.400 . 1 . . . . 222 ILE N . 25288 1 636 . 2 1 6 6 VAL H H 1 8.087 0.040 . 1 . . . . 223 VAL H . 25288 1 637 . 2 1 6 6 VAL HA H 1 4.045 0.040 . 1 . . . . 223 VAL HA . 25288 1 638 . 2 1 6 6 VAL HB H 1 2.000 0.040 . 1 . . . . 223 VAL HB . 25288 1 639 . 2 1 6 6 VAL HG11 H 1 0.838 0.040 . 2 . . . . 223 VAL MG1 . 25288 1 640 . 2 1 6 6 VAL HG12 H 1 0.838 0.040 . 2 . . . . 223 VAL MG1 . 25288 1 641 . 2 1 6 6 VAL HG13 H 1 0.838 0.040 . 2 . . . . 223 VAL MG1 . 25288 1 642 . 2 1 6 6 VAL HG21 H 1 0.825 0.040 . 2 . . . . 223 VAL MG2 . 25288 1 643 . 2 1 6 6 VAL HG22 H 1 0.825 0.040 . 2 . . . . 223 VAL MG2 . 25288 1 644 . 2 1 6 6 VAL HG23 H 1 0.825 0.040 . 2 . . . . 223 VAL MG2 . 25288 1 645 . 2 1 6 6 VAL CA C 13 62.321 0.400 . 1 . . . . 223 VAL CA . 25288 1 646 . 2 1 6 6 VAL CB C 13 32.993 0.400 . 1 . . . . 223 VAL CB . 25288 1 647 . 2 1 6 6 VAL CG1 C 13 21.340 0.400 . 2 . . . . 223 VAL CG1 . 25288 1 648 . 2 1 6 6 VAL CG2 C 13 20.561 0.400 . 2 . . . . 223 VAL CG2 . 25288 1 649 . 2 1 6 6 VAL N N 15 123.773 0.400 . 1 . . . . 223 VAL N . 25288 1 650 . 2 1 7 7 ASP H H 1 8.202 0.040 . 1 . . . . 224 ASP H . 25288 1 651 . 2 1 7 7 ASP HA H 1 4.521 0.040 . 1 . . . . 224 ASP HA . 25288 1 652 . 2 1 7 7 ASP HB2 H 1 2.665 0.040 . 2 . . . . 224 ASP HB2 . 25288 1 653 . 2 1 7 7 ASP HB3 H 1 2.571 0.040 . 2 . . . . 224 ASP HB3 . 25288 1 654 . 2 1 7 7 ASP CA C 13 54.446 0.400 . 1 . . . . 224 ASP CA . 25288 1 655 . 2 1 7 7 ASP CB C 13 41.477 0.400 . 1 . . . . 224 ASP CB . 25288 1 656 . 2 1 7 7 ASP N N 15 124.000 0.400 . 1 . . . . 224 ASP N . 25288 1 657 . 2 1 8 8 ALA H H 1 8.166 0.040 . 1 . . . . 225 ALA H . 25288 1 658 . 2 1 8 8 ALA HA H 1 4.211 0.040 . 1 . . . . 225 ALA HA . 25288 1 659 . 2 1 8 8 ALA HB1 H 1 1.356 0.040 . 1 . . . . 225 ALA MB . 25288 1 660 . 2 1 8 8 ALA HB2 H 1 1.356 0.040 . 1 . . . . 225 ALA MB . 25288 1 661 . 2 1 8 8 ALA HB3 H 1 1.356 0.040 . 1 . . . . 225 ALA MB . 25288 1 662 . 2 1 8 8 ALA CA C 13 53.047 0.400 . 1 . . . . 225 ALA CA . 25288 1 663 . 2 1 8 8 ALA CB C 13 19.371 0.400 . 1 . . . . 225 ALA CB . 25288 1 664 . 2 1 8 8 ALA N N 15 123.995 0.400 . 1 . . . . 225 ALA N . 25288 1 665 . 2 1 9 9 GLN H H 1 8.230 0.040 . 1 . . . . 226 GLN H . 25288 1 666 . 2 1 9 9 GLN HA H 1 4.251 0.040 . 1 . . . . 226 GLN HA . 25288 1 667 . 2 1 9 9 GLN HB2 H 1 1.960 0.040 . 2 . . . . 226 GLN QB . 25288 1 668 . 2 1 9 9 GLN HB3 H 1 1.960 0.040 . 2 . . . . 226 GLN QB . 25288 1 669 . 2 1 9 9 GLN HG2 H 1 2.307 0.040 . 2 . . . . 226 GLN QG . 25288 1 670 . 2 1 9 9 GLN HG3 H 1 2.307 0.040 . 2 . . . . 226 GLN QG . 25288 1 671 . 2 1 9 9 GLN HE21 H 1 6.829 0.040 . 2 . . . . 226 GLN HE21 . 25288 1 672 . 2 1 9 9 GLN HE22 H 1 7.566 0.040 . 2 . . . . 226 GLN HE22 . 25288 1 673 . 2 1 9 9 GLN CA C 13 55.763 0.400 . 1 . . . . 226 GLN CA . 25288 1 674 . 2 1 9 9 GLN CB C 13 29.465 0.400 . 1 . . . . 226 GLN CB . 25288 1 675 . 2 1 9 9 GLN CG C 13 34.229 0.400 . 1 . . . . 226 GLN CG . 25288 1 676 . 2 1 9 9 GLN N N 15 118.018 0.400 . 1 . . . . 226 GLN N . 25288 1 677 . 2 1 9 9 GLN NE2 N 15 112.567 0.400 . 1 . . . . 226 GLN NE2 . 25288 1 678 . 2 1 10 10 ALA H H 1 8.186 0.040 . 1 . . . . 227 ALA H . 25288 1 679 . 2 1 10 10 ALA HA H 1 4.366 0.040 . 1 . . . . 227 ALA HA . 25288 1 680 . 2 1 10 10 ALA HB1 H 1 1.307 0.040 . 1 . . . . 227 ALA MB . 25288 1 681 . 2 1 10 10 ALA HB2 H 1 1.307 0.040 . 1 . . . . 227 ALA MB . 25288 1 682 . 2 1 10 10 ALA HB3 H 1 1.307 0.040 . 1 . . . . 227 ALA MB . 25288 1 683 . 2 1 10 10 ALA CA C 13 52.164 0.400 . 1 . . . . 227 ALA CA . 25288 1 684 . 2 1 10 10 ALA CB C 13 19.211 0.400 . 1 . . . . 227 ALA CB . 25288 1 685 . 2 1 10 10 ALA N N 15 125.931 0.400 . 1 . . . . 227 ALA N . 25288 1 686 . 2 1 11 11 VAL H H 1 8.088 0.040 . 1 . . . . 228 VAL H . 25288 1 687 . 2 1 11 11 VAL HA H 1 4.513 0.040 . 1 . . . . 228 VAL HA . 25288 1 688 . 2 1 11 11 VAL HB H 1 1.815 0.040 . 1 . . . . 228 VAL HB . 25288 1 689 . 2 1 11 11 VAL HG11 H 1 0.768 0.040 . 2 . . . . 228 VAL MG1 . 25288 1 690 . 2 1 11 11 VAL HG12 H 1 0.768 0.040 . 2 . . . . 228 VAL MG1 . 25288 1 691 . 2 1 11 11 VAL HG13 H 1 0.768 0.040 . 2 . . . . 228 VAL MG1 . 25288 1 692 . 2 1 11 11 VAL HG21 H 1 0.759 0.040 . 2 . . . . 228 VAL MG2 . 25288 1 693 . 2 1 11 11 VAL HG22 H 1 0.759 0.040 . 2 . . . . 228 VAL MG2 . 25288 1 694 . 2 1 11 11 VAL HG23 H 1 0.759 0.040 . 2 . . . . 228 VAL MG2 . 25288 1 695 . 2 1 11 11 VAL CA C 13 60.004 0.400 . 1 . . . . 228 VAL CA . 25288 1 696 . 2 1 11 11 VAL CB C 13 35.031 0.400 . 1 . . . . 228 VAL CB . 25288 1 697 . 2 1 11 11 VAL CG1 C 13 21.661 0.400 . 2 . . . . 228 VAL CG1 . 25288 1 698 . 2 1 11 11 VAL CG2 C 13 18.972 0.400 . 2 . . . . 228 VAL CG2 . 25288 1 699 . 2 1 11 11 VAL N N 15 119.197 0.400 . 1 . . . . 228 VAL N . 25288 1 700 . 2 1 12 12 CYS H H 1 9.322 0.040 . 1 . . . . 229 CYS H . 25288 1 701 . 2 1 12 12 CYS HA H 1 3.808 0.040 . 1 . . . . 229 CYS HA . 25288 1 702 . 2 1 12 12 CYS HB2 H 1 3.231 0.040 . 2 . . . . 229 CYS HB2 . 25288 1 703 . 2 1 12 12 CYS HB3 H 1 2.683 0.040 . 2 . . . . 229 CYS HB3 . 25288 1 704 . 2 1 12 12 CYS CA C 13 59.537 0.400 . 1 . . . . 229 CYS CA . 25288 1 705 . 2 1 12 12 CYS CB C 13 31.356 0.400 . 1 . . . . 229 CYS CB . 25288 1 706 . 2 1 12 12 CYS N N 15 124.743 0.400 . 1 . . . . 229 CYS N . 25288 1 707 . 2 1 13 13 THR HA H 1 4.032 0.040 . 1 . . . . 230 THR HA . 25288 1 708 . 2 1 13 13 THR HB H 1 4.331 0.040 . 1 . . . . 230 THR HB . 25288 1 709 . 2 1 13 13 THR HG21 H 1 1.611 0.040 . 1 . . . . 230 THR HG2 . 25288 1 710 . 2 1 13 13 THR HG22 H 1 1.611 0.040 . 1 . . . . 230 THR HG2 . 25288 1 711 . 2 1 13 13 THR HG23 H 1 1.611 0.040 . 1 . . . . 230 THR HG2 . 25288 1 712 . 2 1 13 13 THR CA C 13 66.242 0.400 . 1 . . . . 230 THR CA . 25288 1 713 . 2 1 13 13 THR CB C 13 70.094 0.400 . 1 . . . . 230 THR CB . 25288 1 714 . 2 1 13 13 THR CG2 C 13 23.132 0.400 . 1 . . . . 230 THR CG2 . 25288 1 715 . 2 1 14 14 ARG H H 1 8.561 0.040 . 1 . . . . 231 ARG H . 25288 1 716 . 2 1 14 14 ARG HA H 1 4.227 0.040 . 1 . . . . 231 ARG HA . 25288 1 717 . 2 1 14 14 ARG HB2 H 1 1.919 0.040 . 2 . . . . 231 ARG QB . 25288 1 718 . 2 1 14 14 ARG HB3 H 1 1.919 0.040 . 2 . . . . 231 ARG QB . 25288 1 719 . 2 1 14 14 ARG HG2 H 1 1.654 0.040 . 2 . . . . 231 ARG QG . 25288 1 720 . 2 1 14 14 ARG HG3 H 1 1.654 0.040 . 2 . . . . 231 ARG QG . 25288 1 721 . 2 1 14 14 ARG HD2 H 1 3.204 0.040 . 2 . . . . 231 ARG QD . 25288 1 722 . 2 1 14 14 ARG HD3 H 1 3.204 0.040 . 2 . . . . 231 ARG QD . 25288 1 723 . 2 1 14 14 ARG CA C 13 58.744 0.400 . 1 . . . . 231 ARG CA . 25288 1 724 . 2 1 14 14 ARG CB C 13 30.557 0.400 . 1 . . . . 231 ARG CB . 25288 1 725 . 2 1 14 14 ARG CG C 13 27.178 0.400 . 1 . . . . 231 ARG CG . 25288 1 726 . 2 1 14 14 ARG CD C 13 43.513 0.400 . 1 . . . . 231 ARG CD . 25288 1 727 . 2 1 14 14 ARG N N 15 121.745 0.400 . 1 . . . . 231 ARG N . 25288 1 728 . 2 1 15 15 CYS H H 1 8.109 0.040 . 1 . . . . 232 CYS H . 25288 1 729 . 2 1 15 15 CYS HA H 1 4.878 0.040 . 1 . . . . 232 CYS HA . 25288 1 730 . 2 1 15 15 CYS HB2 H 1 3.210 0.040 . 2 . . . . 232 CYS HB2 . 25288 1 731 . 2 1 15 15 CYS HB3 H 1 2.275 0.040 . 2 . . . . 232 CYS HB3 . 25288 1 732 . 2 1 15 15 CYS CA C 13 59.151 0.400 . 1 . . . . 232 CYS CA . 25288 1 733 . 2 1 15 15 CYS CB C 13 33.078 0.400 . 1 . . . . 232 CYS CB . 25288 1 734 . 2 1 15 15 CYS N N 15 118.014 0.400 . 1 . . . . 232 CYS N . 25288 1 735 . 2 1 16 16 LYS H H 1 7.904 0.040 . 1 . . . . 233 LYS H . 25288 1 736 . 2 1 16 16 LYS HA H 1 4.120 0.040 . 1 . . . . 233 LYS HA . 25288 1 737 . 2 1 16 16 LYS HB2 H 1 2.158 0.040 . 2 . . . . 233 LYS HB2 . 25288 1 738 . 2 1 16 16 LYS HB3 H 1 1.989 0.040 . 2 . . . . 233 LYS HB3 . 25288 1 739 . 2 1 16 16 LYS HG2 H 1 1.258 0.040 . 2 . . . . 233 LYS HG2 . 25288 1 740 . 2 1 16 16 LYS HG3 H 1 1.381 0.040 . 2 . . . . 233 LYS HG3 . 25288 1 741 . 2 1 16 16 LYS HD2 H 1 1.559 0.040 . 2 . . . . 233 LYS HD2 . 25288 1 742 . 2 1 16 16 LYS HD3 H 1 1.707 0.040 . 2 . . . . 233 LYS HD3 . 25288 1 743 . 2 1 16 16 LYS HE2 H 1 2.963 0.040 . 2 . . . . 233 LYS QE . 25288 1 744 . 2 1 16 16 LYS HE3 H 1 2.963 0.040 . 2 . . . . 233 LYS QE . 25288 1 745 . 2 1 16 16 LYS CA C 13 58.598 0.400 . 1 . . . . 233 LYS CA . 25288 1 746 . 2 1 16 16 LYS CB C 13 29.610 0.400 . 1 . . . . 233 LYS CB . 25288 1 747 . 2 1 16 16 LYS CG C 13 25.646 0.400 . 1 . . . . 233 LYS CG . 25288 1 748 . 2 1 16 16 LYS CD C 13 28.819 0.400 . 1 . . . . 233 LYS CD . 25288 1 749 . 2 1 16 16 LYS CE C 13 42.747 0.400 . 1 . . . . 233 LYS CE . 25288 1 750 . 2 1 16 16 LYS N N 15 116.830 0.400 . 1 . . . . 233 LYS N . 25288 1 751 . 2 1 17 17 GLU H H 1 8.310 0.040 . 1 . . . . 234 GLU H . 25288 1 752 . 2 1 17 17 GLU HA H 1 4.487 0.040 . 1 . . . . 234 GLU HA . 25288 1 753 . 2 1 17 17 GLU HB2 H 1 2.260 0.040 . 2 . . . . 234 GLU HB2 . 25288 1 754 . 2 1 17 17 GLU HB3 H 1 2.051 0.040 . 2 . . . . 234 GLU HB3 . 25288 1 755 . 2 1 17 17 GLU HG2 H 1 2.603 0.040 . 2 . . . . 234 GLU HG2 . 25288 1 756 . 2 1 17 17 GLU HG3 H 1 2.453 0.040 . 2 . . . . 234 GLU HG3 . 25288 1 757 . 2 1 17 17 GLU CA C 13 56.698 0.400 . 1 . . . . 234 GLU CA . 25288 1 758 . 2 1 17 17 GLU CB C 13 30.348 0.400 . 1 . . . . 234 GLU CB . 25288 1 759 . 2 1 17 17 GLU CG C 13 37.695 0.400 . 1 . . . . 234 GLU CG . 25288 1 760 . 2 1 17 17 GLU N N 15 120.535 0.400 . 1 . . . . 234 GLU N . 25288 1 761 . 2 1 18 18 SER H H 1 8.742 0.040 . 1 . . . . 235 SER H . 25288 1 762 . 2 1 18 18 SER HA H 1 4.174 0.040 . 1 . . . . 235 SER HA . 25288 1 763 . 2 1 18 18 SER HB2 H 1 3.893 0.040 . 2 . . . . 235 SER HB2 . 25288 1 764 . 2 1 18 18 SER HB3 H 1 3.844 0.040 . 2 . . . . 235 SER HB3 . 25288 1 765 . 2 1 18 18 SER CA C 13 60.751 0.400 . 1 . . . . 235 SER CA . 25288 1 766 . 2 1 18 18 SER CB C 13 63.244 0.400 . 1 . . . . 235 SER CB . 25288 1 767 . 2 1 18 18 SER N N 15 115.563 0.400 . 1 . . . . 235 SER N . 25288 1 768 . 2 1 19 19 ALA H H 1 8.009 0.040 . 1 . . . . 236 ALA H . 25288 1 769 . 2 1 19 19 ALA HA H 1 3.859 0.040 . 1 . . . . 236 ALA HA . 25288 1 770 . 2 1 19 19 ALA HB1 H 1 1.034 0.040 . 1 . . . . 236 ALA MB . 25288 1 771 . 2 1 19 19 ALA HB2 H 1 1.034 0.040 . 1 . . . . 236 ALA MB . 25288 1 772 . 2 1 19 19 ALA HB3 H 1 1.034 0.040 . 1 . . . . 236 ALA MB . 25288 1 773 . 2 1 19 19 ALA CA C 13 52.204 0.400 . 1 . . . . 236 ALA CA . 25288 1 774 . 2 1 19 19 ALA CB C 13 21.431 0.400 . 1 . . . . 236 ALA CB . 25288 1 775 . 2 1 19 19 ALA N N 15 123.998 0.400 . 1 . . . . 236 ALA N . 25288 1 776 . 2 1 20 20 ASP H H 1 8.253 0.040 . 1 . . . . 237 ASP H . 25288 1 777 . 2 1 20 20 ASP HA H 1 4.852 0.040 . 1 . . . . 237 ASP HA . 25288 1 778 . 2 1 20 20 ASP HB2 H 1 2.146 0.040 . 2 . . . . 237 ASP HB2 . 25288 1 779 . 2 1 20 20 ASP HB3 H 1 2.254 0.040 . 2 . . . . 237 ASP HB3 . 25288 1 780 . 2 1 20 20 ASP CA C 13 55.423 0.400 . 1 . . . . 237 ASP CA . 25288 1 781 . 2 1 20 20 ASP CB C 13 47.153 0.400 . 1 . . . . 237 ASP CB . 25288 1 782 . 2 1 20 20 ASP N N 15 117.156 0.400 . 1 . . . . 237 ASP N . 25288 1 783 . 2 1 21 21 PHE H H 1 8.610 0.040 . 1 . . . . 238 PHE H . 25288 1 784 . 2 1 21 21 PHE HA H 1 4.984 0.040 . 1 . . . . 238 PHE HA . 25288 1 785 . 2 1 21 21 PHE HB2 H 1 2.279 0.040 . 2 . . . . 238 PHE HB2 . 25288 1 786 . 2 1 21 21 PHE HB3 H 1 2.198 0.040 . 2 . . . . 238 PHE HB3 . 25288 1 787 . 2 1 21 21 PHE HD1 H 1 6.499 0.040 . 3 . . . . 238 PHE HD1 . 25288 1 788 . 2 1 21 21 PHE HD2 H 1 6.350 0.040 . 3 . . . . 238 PHE HD2 . 25288 1 789 . 2 1 21 21 PHE HE1 H 1 7.001 0.040 . 3 . . . . 238 PHE QE . 25288 1 790 . 2 1 21 21 PHE HE2 H 1 7.001 0.040 . 3 . . . . 238 PHE QE . 25288 1 791 . 2 1 21 21 PHE HZ H 1 7.129 0.040 . 1 . . . . 238 PHE HZ . 25288 1 792 . 2 1 21 21 PHE CA C 13 57.474 0.400 . 1 . . . . 238 PHE CA . 25288 1 793 . 2 1 21 21 PHE CB C 13 45.110 0.400 . 1 . . . . 238 PHE CB . 25288 1 794 . 2 1 21 21 PHE CD1 C 13 130.844 0.400 . 3 . . . . 238 PHE CD1 . 25288 1 795 . 2 1 21 21 PHE CD2 C 13 130.944 0.400 . 3 . . . . 238 PHE CD2 . 25288 1 796 . 2 1 21 21 PHE CE1 C 13 130.980 0.400 . 1 . . . . 238 PHE CE1 . 25288 1 797 . 2 1 21 21 PHE CE2 C 13 130.980 0.400 . 1 . . . . 238 PHE CE2 . 25288 1 798 . 2 1 21 21 PHE CZ C 13 130.027 0.400 . 1 . . . . 238 PHE CZ . 25288 1 799 . 2 1 21 21 PHE N N 15 118.473 0.400 . 1 . . . . 238 PHE N . 25288 1 800 . 2 1 22 22 TRP H H 1 9.011 0.040 . 1 . . . . 239 TRP H . 25288 1 801 . 2 1 22 22 TRP HA H 1 5.339 0.040 . 1 . . . . 239 TRP HA . 25288 1 802 . 2 1 22 22 TRP HB2 H 1 2.921 0.040 . 2 . . . . 239 TRP HB2 . 25288 1 803 . 2 1 22 22 TRP HB3 H 1 2.784 0.040 . 2 . . . . 239 TRP HB3 . 25288 1 804 . 2 1 22 22 TRP HD1 H 1 5.944 0.040 . 1 . . . . 239 TRP HD1 . 25288 1 805 . 2 1 22 22 TRP HE1 H 1 9.537 0.040 . 1 . . . . 239 TRP HE1 . 25288 1 806 . 2 1 22 22 TRP HE3 H 1 7.192 0.040 . 1 . . . . 239 TRP HE3 . 25288 1 807 . 2 1 22 22 TRP HZ2 H 1 7.364 0.040 . 1 . . . . 239 TRP HZ2 . 25288 1 808 . 2 1 22 22 TRP HZ3 H 1 6.875 0.040 . 1 . . . . 239 TRP HZ3 . 25288 1 809 . 2 1 22 22 TRP HH2 H 1 7.023 0.040 . 1 . . . . 239 TRP HH2 . 25288 1 810 . 2 1 22 22 TRP CA C 13 55.393 0.400 . 1 . . . . 239 TRP CA . 25288 1 811 . 2 1 22 22 TRP CB C 13 33.204 0.400 . 1 . . . . 239 TRP CB . 25288 1 812 . 2 1 22 22 TRP CD1 C 13 127.094 0.400 . 1 . . . . 239 TRP CD1 . 25288 1 813 . 2 1 22 22 TRP CE3 C 13 120.979 0.400 . 1 . . . . 239 TRP CE3 . 25288 1 814 . 2 1 22 22 TRP CZ2 C 13 114.021 0.400 . 1 . . . . 239 TRP CZ2 . 25288 1 815 . 2 1 22 22 TRP CZ3 C 13 121.121 0.400 . 1 . . . . 239 TRP CZ3 . 25288 1 816 . 2 1 22 22 TRP CH2 C 13 124.442 0.400 . 1 . . . . 239 TRP CH2 . 25288 1 817 . 2 1 22 22 TRP N N 15 121.148 0.400 . 1 . . . . 239 TRP N . 25288 1 818 . 2 1 22 22 TRP NE1 N 15 128.582 0.040 . 1 . . . . 239 TRP NE1 . 25288 1 819 . 2 1 23 23 CYS H H 1 7.967 0.040 . 1 . . . . 240 CYS H . 25288 1 820 . 2 1 23 23 CYS HA H 1 4.641 0.040 . 1 . . . . 240 CYS HA . 25288 1 821 . 2 1 23 23 CYS HB2 H 1 2.652 0.040 . 2 . . . . 240 CYS HB2 . 25288 1 822 . 2 1 23 23 CYS HB3 H 1 2.298 0.040 . 2 . . . . 240 CYS HB3 . 25288 1 823 . 2 1 23 23 CYS CA C 13 58.317 0.400 . 1 . . . . 240 CYS CA . 25288 1 824 . 2 1 23 23 CYS CB C 13 30.183 0.400 . 1 . . . . 240 CYS CB . 25288 1 825 . 2 1 23 23 CYS N N 15 126.463 0.400 . 1 . . . . 240 CYS N . 25288 1 826 . 2 1 24 24 PHE H H 1 8.607 0.040 . 1 . . . . 241 PHE H . 25288 1 827 . 2 1 24 24 PHE HA H 1 4.030 0.040 . 1 . . . . 241 PHE HA . 25288 1 828 . 2 1 24 24 PHE HB2 H 1 3.098 0.040 . 2 . . . . 241 PHE HB2 . 25288 1 829 . 2 1 24 24 PHE HB3 H 1 3.216 0.040 . 2 . . . . 241 PHE HB3 . 25288 1 830 . 2 1 24 24 PHE HD1 H 1 7.290 0.040 . 3 . . . . 241 PHE QD . 25288 1 831 . 2 1 24 24 PHE HD2 H 1 7.290 0.040 . 3 . . . . 241 PHE QD . 25288 1 832 . 2 1 24 24 PHE HE1 H 1 7.407 0.040 . 3 . . . . 241 PHE QE . 25288 1 833 . 2 1 24 24 PHE HE2 H 1 7.407 0.040 . 3 . . . . 241 PHE QE . 25288 1 834 . 2 1 24 24 PHE HZ H 1 7.398 0.040 . 1 . . . . 241 PHE HZ . 25288 1 835 . 2 1 24 24 PHE CA C 13 61.167 0.400 . 1 . . . . 241 PHE CA . 25288 1 836 . 2 1 24 24 PHE CB C 13 39.627 0.400 . 1 . . . . 241 PHE CB . 25288 1 837 . 2 1 24 24 PHE CD1 C 13 130.160 0.400 . 1 . . . . 241 PHE CD1 . 25288 1 838 . 2 1 24 24 PHE CD2 C 13 130.160 0.400 . 1 . . . . 241 PHE CD2 . 25288 1 839 . 2 1 24 24 PHE CE1 C 13 131.805 0.400 . 1 . . . . 241 PHE CE1 . 25288 1 840 . 2 1 24 24 PHE CE2 C 13 131.805 0.400 . 1 . . . . 241 PHE CE2 . 25288 1 841 . 2 1 24 24 PHE CZ C 13 130.232 0.400 . 1 . . . . 241 PHE CZ . 25288 1 842 . 2 1 24 24 PHE N N 15 127.283 0.400 . 1 . . . . 241 PHE N . 25288 1 843 . 2 1 25 25 GLU H H 1 8.435 0.040 . 1 . . . . 242 GLU H . 25288 1 844 . 2 1 25 25 GLU HA H 1 4.026 0.040 . 1 . . . . 242 GLU HA . 25288 1 845 . 2 1 25 25 GLU HB2 H 1 1.257 0.040 . 2 . . . . 242 GLU HB2 . 25288 1 846 . 2 1 25 25 GLU HB3 H 1 0.893 0.040 . 2 . . . . 242 GLU HB3 . 25288 1 847 . 2 1 25 25 GLU HG2 H 1 2.031 0.040 . 2 . . . . 242 GLU HG2 . 25288 1 848 . 2 1 25 25 GLU HG3 H 1 1.881 0.040 . 2 . . . . 242 GLU HG3 . 25288 1 849 . 2 1 25 25 GLU CA C 13 59.668 0.400 . 1 . . . . 242 GLU CA . 25288 1 850 . 2 1 25 25 GLU CB C 13 29.434 0.400 . 1 . . . . 242 GLU CB . 25288 1 851 . 2 1 25 25 GLU CG C 13 37.780 0.400 . 1 . . . . 242 GLU CG . 25288 1 852 . 2 1 25 25 GLU N N 15 121.245 0.400 . 1 . . . . 242 GLU N . 25288 1 853 . 2 1 26 26 CYS H H 1 9.099 0.040 . 1 . . . . 243 CYS H . 25288 1 854 . 2 1 26 26 CYS HA H 1 4.100 0.040 . 1 . . . . 243 CYS HA . 25288 1 855 . 2 1 26 26 CYS HB2 H 1 2.990 0.040 . 2 . . . . 243 CYS HB2 . 25288 1 856 . 2 1 26 26 CYS HB3 H 1 2.599 0.040 . 2 . . . . 243 CYS HB3 . 25288 1 857 . 2 1 26 26 CYS CA C 13 62.538 0.400 . 1 . . . . 243 CYS CA . 25288 1 858 . 2 1 26 26 CYS CB C 13 30.090 0.400 . 1 . . . . 243 CYS CB . 25288 1 859 . 2 1 26 26 CYS N N 15 121.811 0.400 . 1 . . . . 243 CYS N . 25288 1 860 . 2 1 27 27 GLU H H 1 7.440 0.040 . 1 . . . . 244 GLU H . 25288 1 861 . 2 1 27 27 GLU HB2 H 1 2.216 0.040 . 2 . . . . 244 GLU HB2 . 25288 1 862 . 2 1 27 27 GLU HB3 H 1 2.109 0.040 . 2 . . . . 244 GLU HB3 . 25288 1 863 . 2 1 27 27 GLU HG2 H 1 2.106 0.040 . 2 . . . . 244 GLU QG . 25288 1 864 . 2 1 27 27 GLU HG3 H 1 2.106 0.040 . 2 . . . . 244 GLU QG . 25288 1 865 . 2 1 27 27 GLU CA C 13 57.164 0.400 . 1 . . . . 244 GLU CA . 25288 1 866 . 2 1 27 27 GLU CB C 13 26.836 0.400 . 1 . . . . 244 GLU CB . 25288 1 867 . 2 1 27 27 GLU CG C 13 37.393 0.400 . 1 . . . . 244 GLU CG . 25288 1 868 . 2 1 27 27 GLU N N 15 115.924 0.400 . 1 . . . . 244 GLU N . 25288 1 869 . 2 1 28 28 GLN H H 1 6.085 0.040 . 1 . . . . 245 GLN H . 25288 1 870 . 2 1 28 28 GLN HA H 1 4.600 0.040 . 1 . . . . 245 GLN HA . 25288 1 871 . 2 1 28 28 GLN HB2 H 1 1.378 0.040 . 2 . . . . 245 GLN QB . 25288 1 872 . 2 1 28 28 GLN HB3 H 1 1.378 0.040 . 2 . . . . 245 GLN QB . 25288 1 873 . 2 1 28 28 GLN HG2 H 1 2.396 0.040 . 2 . . . . 245 GLN QG . 25288 1 874 . 2 1 28 28 GLN HG3 H 1 2.396 0.040 . 2 . . . . 245 GLN QG . 25288 1 875 . 2 1 28 28 GLN HE21 H 1 7.269 0.040 . 2 . . . . 245 GLN HE21 . 25288 1 876 . 2 1 28 28 GLN HE22 H 1 6.542 0.040 . 2 . . . . 245 GLN HE22 . 25288 1 877 . 2 1 28 28 GLN CA C 13 54.491 0.400 . 1 . . . . 245 GLN CA . 25288 1 878 . 2 1 28 28 GLN CB C 13 33.422 0.400 . 1 . . . . 245 GLN CB . 25288 1 879 . 2 1 28 28 GLN CG C 13 34.266 0.400 . 1 . . . . 245 GLN CG . 25288 1 880 . 2 1 28 28 GLN N N 15 113.001 0.400 . 1 . . . . 245 GLN N . 25288 1 881 . 2 1 28 28 GLN NE2 N 15 108.721 0.400 . 1 . . . . 245 GLN NE2 . 25288 1 882 . 2 1 29 29 LEU H H 1 8.170 0.040 . 1 . . . . 246 LEU H . 25288 1 883 . 2 1 29 29 LEU HA H 1 5.237 0.040 . 1 . . . . 246 LEU HA . 25288 1 884 . 2 1 29 29 LEU HB2 H 1 2.119 0.040 . 2 . . . . 246 LEU HB2 . 25288 1 885 . 2 1 29 29 LEU HB3 H 1 1.118 0.040 . 2 . . . . 246 LEU HB3 . 25288 1 886 . 2 1 29 29 LEU HG H 1 1.015 0.040 . 1 . . . . 246 LEU HG . 25288 1 887 . 2 1 29 29 LEU HD11 H 1 1.007 0.040 . 2 . . . . 246 LEU MD1 . 25288 1 888 . 2 1 29 29 LEU HD12 H 1 1.007 0.040 . 2 . . . . 246 LEU MD1 . 25288 1 889 . 2 1 29 29 LEU HD13 H 1 1.007 0.040 . 2 . . . . 246 LEU MD1 . 25288 1 890 . 2 1 29 29 LEU HD21 H 1 0.983 0.040 . 2 . . . . 246 LEU MD2 . 25288 1 891 . 2 1 29 29 LEU HD22 H 1 0.983 0.040 . 2 . . . . 246 LEU MD2 . 25288 1 892 . 2 1 29 29 LEU HD23 H 1 0.983 0.040 . 2 . . . . 246 LEU MD2 . 25288 1 893 . 2 1 29 29 LEU CA C 13 53.900 0.400 . 1 . . . . 246 LEU CA . 25288 1 894 . 2 1 29 29 LEU CB C 13 44.522 0.400 . 1 . . . . 246 LEU CB . 25288 1 895 . 2 1 29 29 LEU CG C 13 26.784 0.400 . 1 . . . . 246 LEU CG . 25288 1 896 . 2 1 29 29 LEU CD1 C 13 25.937 0.400 . 2 . . . . 246 LEU CD1 . 25288 1 897 . 2 1 29 29 LEU CD2 C 13 25.940 0.400 . 2 . . . . 246 LEU CD2 . 25288 1 898 . 2 1 29 29 LEU N N 15 123.312 0.400 . 1 . . . . 246 LEU N . 25288 1 899 . 2 1 30 30 LEU H H 1 9.056 0.040 . 1 . . . . 247 LEU H . 25288 1 900 . 2 1 30 30 LEU HB2 H 1 1.753 0.040 . 2 . . . . 247 LEU HB2 . 25288 1 901 . 2 1 30 30 LEU HB3 H 1 1.533 0.040 . 2 . . . . 247 LEU HB3 . 25288 1 902 . 2 1 30 30 LEU HG H 1 0.586 0.040 . 1 . . . . 247 LEU HG . 25288 1 903 . 2 1 30 30 LEU HD11 H 1 1.598 0.040 . 2 . . . . 247 LEU MD1 . 25288 1 904 . 2 1 30 30 LEU HD12 H 1 1.598 0.040 . 2 . . . . 247 LEU MD1 . 25288 1 905 . 2 1 30 30 LEU HD13 H 1 1.598 0.040 . 2 . . . . 247 LEU MD1 . 25288 1 906 . 2 1 30 30 LEU HD21 H 1 1.200 0.040 . 2 . . . . 247 LEU MD2 . 25288 1 907 . 2 1 30 30 LEU HD22 H 1 1.200 0.040 . 2 . . . . 247 LEU MD2 . 25288 1 908 . 2 1 30 30 LEU HD23 H 1 1.200 0.040 . 2 . . . . 247 LEU MD2 . 25288 1 909 . 2 1 30 30 LEU CA C 13 53.817 0.400 . 1 . . . . 247 LEU CA . 25288 1 910 . 2 1 30 30 LEU CB C 13 48.428 0.400 . 1 . . . . 247 LEU CB . 25288 1 911 . 2 1 30 30 LEU CG C 13 26.984 0.400 . 1 . . . . 247 LEU CG . 25288 1 912 . 2 1 30 30 LEU CD1 C 13 27.287 0.400 . 2 . . . . 247 LEU CD1 . 25288 1 913 . 2 1 30 30 LEU CD2 C 13 24.622 0.400 . 2 . . . . 247 LEU CD2 . 25288 1 914 . 2 1 30 30 LEU N N 15 121.220 0.400 . 1 . . . . 247 LEU N . 25288 1 915 . 2 1 31 31 CYS H H 1 9.563 0.040 . 1 . . . . 248 CYS H . 25288 1 916 . 2 1 31 31 CYS HA H 1 5.192 0.040 . 1 . . . . 248 CYS HA . 25288 1 917 . 2 1 31 31 CYS HB2 H 1 2.917 0.040 . 2 . . . . 248 CYS HB2 . 25288 1 918 . 2 1 31 31 CYS HB3 H 1 3.499 0.040 . 2 . . . . 248 CYS HB3 . 25288 1 919 . 2 1 31 31 CYS CA C 13 58.887 0.400 . 1 . . . . 248 CYS CA . 25288 1 920 . 2 1 31 31 CYS CB C 13 32.246 0.400 . 1 . . . . 248 CYS CB . 25288 1 921 . 2 1 31 31 CYS N N 15 122.181 0.400 . 1 . . . . 248 CYS N . 25288 1 922 . 2 1 32 32 ALA H H 1 9.755 0.040 . 1 . . . . 249 ALA H . 25288 1 923 . 2 1 32 32 ALA HA H 1 4.367 0.040 . 1 . . . . 249 ALA HA . 25288 1 924 . 2 1 32 32 ALA HB1 H 1 1.693 0.040 . 1 . . . . 249 ALA MB . 25288 1 925 . 2 1 32 32 ALA HB2 H 1 1.693 0.040 . 1 . . . . 249 ALA MB . 25288 1 926 . 2 1 32 32 ALA HB3 H 1 1.693 0.040 . 1 . . . . 249 ALA MB . 25288 1 927 . 2 1 32 32 ALA CA C 13 56.620 0.400 . 1 . . . . 249 ALA CA . 25288 1 928 . 2 1 32 32 ALA CB C 13 18.723 0.400 . 1 . . . . 249 ALA CB . 25288 1 929 . 2 1 32 32 ALA N N 15 122.470 0.400 . 1 . . . . 249 ALA N . 25288 1 930 . 2 1 33 33 LYS H H 1 8.164 0.040 . 1 . . . . 250 LYS H . 25288 1 931 . 2 1 33 33 LYS HA H 1 4.246 0.040 . 1 . . . . 250 LYS HA . 25288 1 932 . 2 1 33 33 LYS HB2 H 1 1.996 0.040 . 2 . . . . 250 LYS HB2 . 25288 1 933 . 2 1 33 33 LYS HB3 H 1 2.060 0.040 . 2 . . . . 250 LYS HB3 . 25288 1 934 . 2 1 33 33 LYS HG2 H 1 1.503 0.040 . 2 . . . . 250 LYS HG2 . 25288 1 935 . 2 1 33 33 LYS HG3 H 1 1.635 0.040 . 2 . . . . 250 LYS HG3 . 25288 1 936 . 2 1 33 33 LYS HD2 H 1 1.744 0.040 . 2 . . . . 250 LYS QD . 25288 1 937 . 2 1 33 33 LYS HD3 H 1 1.744 0.040 . 2 . . . . 250 LYS QD . 25288 1 938 . 2 1 33 33 LYS HE2 H 1 3.033 0.040 . 2 . . . . 250 LYS QE . 25288 1 939 . 2 1 33 33 LYS HE3 H 1 3.033 0.040 . 2 . . . . 250 LYS QE . 25288 1 940 . 2 1 33 33 LYS CA C 13 60.067 0.400 . 1 . . . . 250 LYS CA . 25288 1 941 . 2 1 33 33 LYS CB C 13 32.762 0.400 . 1 . . . . 250 LYS CB . 25288 1 942 . 2 1 33 33 LYS CG C 13 25.412 0.400 . 1 . . . . 250 LYS CG . 25288 1 943 . 2 1 33 33 LYS CD C 13 29.086 0.400 . 1 . . . . 250 LYS CD . 25288 1 944 . 2 1 33 33 LYS CE C 13 42.225 0.400 . 1 . . . . 250 LYS CE . 25288 1 945 . 2 1 33 33 LYS N N 15 119.603 0.400 . 1 . . . . 250 LYS N . 25288 1 946 . 2 1 34 34 CYS H H 1 9.488 0.040 . 1 . . . . 251 CYS H . 25288 1 947 . 2 1 34 34 CYS HA H 1 4.066 0.040 . 1 . . . . 251 CYS HA . 25288 1 948 . 2 1 34 34 CYS HB2 H 1 3.084 0.040 . 2 . . . . 251 CYS HB2 . 25288 1 949 . 2 1 34 34 CYS HB3 H 1 3.157 0.040 . 2 . . . . 251 CYS HB3 . 25288 1 950 . 2 1 34 34 CYS CA C 13 65.420 0.400 . 1 . . . . 251 CYS CA . 25288 1 951 . 2 1 34 34 CYS CB C 13 30.383 0.400 . 1 . . . . 251 CYS CB . 25288 1 952 . 2 1 34 34 CYS N N 15 126.412 0.400 . 1 . . . . 251 CYS N . 25288 1 953 . 2 1 35 35 PHE H H 1 9.542 0.040 . 1 . . . . 252 PHE H . 25288 1 954 . 2 1 35 35 PHE HA H 1 4.041 0.040 . 1 . . . . 252 PHE HA . 25288 1 955 . 2 1 35 35 PHE HB2 H 1 2.901 0.040 . 2 . . . . 252 PHE QB . 25288 1 956 . 2 1 35 35 PHE HB3 H 1 2.901 0.040 . 2 . . . . 252 PHE QB . 25288 1 957 . 2 1 35 35 PHE HD1 H 1 6.688 0.040 . 3 . . . . 252 PHE HD1 . 25288 1 958 . 2 1 35 35 PHE HD2 H 1 6.418 0.040 . 3 . . . . 252 PHE HD2 . 25288 1 959 . 2 1 35 35 PHE HE1 H 1 6.931 0.040 . 3 . . . . 252 PHE QE . 25288 1 960 . 2 1 35 35 PHE HE2 H 1 6.931 0.040 . 3 . . . . 252 PHE QE . 25288 1 961 . 2 1 35 35 PHE HZ H 1 6.991 0.040 . 1 . . . . 252 PHE HZ . 25288 1 962 . 2 1 35 35 PHE CA C 13 61.474 0.400 . 1 . . . . 252 PHE CA . 25288 1 963 . 2 1 35 35 PHE CB C 13 39.555 0.400 . 1 . . . . 252 PHE CB . 25288 1 964 . 2 1 35 35 PHE CD1 C 13 130.622 0.400 . 3 . . . . 252 PHE CD1 . 25288 1 965 . 2 1 35 35 PHE CD2 C 13 130.616 0.400 . 3 . . . . 252 PHE CD2 . 25288 1 966 . 2 1 35 35 PHE CE1 C 13 129.797 0.400 . 1 . . . . 252 PHE CE1 . 25288 1 967 . 2 1 35 35 PHE CE2 C 13 129.797 0.400 . 1 . . . . 252 PHE CE2 . 25288 1 968 . 2 1 35 35 PHE CZ C 13 130.077 0.400 . 1 . . . . 252 PHE CZ . 25288 1 969 . 2 1 35 35 PHE N N 15 121.071 0.400 . 1 . . . . 252 PHE N . 25288 1 970 . 2 1 36 36 GLU H H 1 7.981 0.040 . 1 . . . . 253 GLU H . 25288 1 971 . 2 1 36 36 GLU HA H 1 3.715 0.040 . 1 . . . . 253 GLU HA . 25288 1 972 . 2 1 36 36 GLU HB2 H 1 2.178 0.040 . 2 . . . . 253 GLU HB2 . 25288 1 973 . 2 1 36 36 GLU HB3 H 1 2.075 0.040 . 2 . . . . 253 GLU HB3 . 25288 1 974 . 2 1 36 36 GLU HG2 H 1 2.499 0.040 . 2 . . . . 253 GLU QG . 25288 1 975 . 2 1 36 36 GLU HG3 H 1 2.499 0.040 . 2 . . . . 253 GLU QG . 25288 1 976 . 2 1 36 36 GLU CA C 13 59.933 0.400 . 1 . . . . 253 GLU CA . 25288 1 977 . 2 1 36 36 GLU CB C 13 29.487 0.400 . 1 . . . . 253 GLU CB . 25288 1 978 . 2 1 36 36 GLU CG C 13 36.486 0.400 . 1 . . . . 253 GLU CG . 25288 1 979 . 2 1 36 36 GLU N N 15 119.668 0.400 . 1 . . . . 253 GLU N . 25288 1 980 . 2 1 37 37 ALA H H 1 7.137 0.040 . 1 . . . . 254 ALA H . 25288 1 981 . 2 1 37 37 ALA HA H 1 3.874 0.040 . 1 . . . . 254 ALA HA . 25288 1 982 . 2 1 37 37 ALA HB1 H 1 1.596 0.040 . 1 . . . . 254 ALA MB . 25288 1 983 . 2 1 37 37 ALA HB2 H 1 1.596 0.040 . 1 . . . . 254 ALA MB . 25288 1 984 . 2 1 37 37 ALA HB3 H 1 1.596 0.040 . 1 . . . . 254 ALA MB . 25288 1 985 . 2 1 37 37 ALA CA C 13 55.226 0.400 . 1 . . . . 254 ALA CA . 25288 1 986 . 2 1 37 37 ALA CB C 13 18.061 0.400 . 1 . . . . 254 ALA CB . 25288 1 987 . 2 1 37 37 ALA N N 15 120.177 0.400 . 1 . . . . 254 ALA N . 25288 1 988 . 2 1 38 38 HIS H H 1 8.279 0.040 . 1 . . . . 255 HIS H . 25288 1 989 . 2 1 38 38 HIS HA H 1 4.043 0.040 . 1 . . . . 255 HIS HA . 25288 1 990 . 2 1 38 38 HIS HB2 H 1 3.200 0.040 . 2 . . . . 255 HIS HB2 . 25288 1 991 . 2 1 38 38 HIS HB3 H 1 2.859 0.040 . 2 . . . . 255 HIS HB3 . 25288 1 992 . 2 1 38 38 HIS HD2 H 1 6.824 0.040 . 1 . . . . 255 HIS HD2 . 25288 1 993 . 2 1 38 38 HIS HE1 H 1 7.971 0.040 . 1 . . . . 255 HIS HE1 . 25288 1 994 . 2 1 38 38 HIS CA C 13 59.924 0.400 . 1 . . . . 255 HIS CA . 25288 1 995 . 2 1 38 38 HIS CB C 13 28.555 0.400 . 1 . . . . 255 HIS CB . 25288 1 996 . 2 1 38 38 HIS CD2 C 13 127.627 0.400 . 1 . . . . 255 HIS CD2 . 25288 1 997 . 2 1 38 38 HIS CE1 C 13 140.351 0.400 . 1 . . . . 255 HIS CE1 . 25288 1 998 . 2 1 38 38 HIS N N 15 119.388 0.400 . 1 . . . . 255 HIS N . 25288 1 999 . 2 1 39 39 GLN H H 1 8.104 0.040 . 1 . . . . 256 GLN H . 25288 1 1000 . 2 1 39 39 GLN HA H 1 3.819 0.040 . 1 . . . . 256 GLN HA . 25288 1 1001 . 2 1 39 39 GLN HB2 H 1 1.704 0.040 . 2 . . . . 256 GLN QB . 25288 1 1002 . 2 1 39 39 GLN HB3 H 1 1.704 0.040 . 2 . . . . 256 GLN QB . 25288 1 1003 . 2 1 39 39 GLN HG2 H 1 1.731 0.040 . 2 . . . . 256 GLN QG . 25288 1 1004 . 2 1 39 39 GLN HG3 H 1 1.731 0.040 . 2 . . . . 256 GLN QG . 25288 1 1005 . 2 1 39 39 GLN HE21 H 1 7.213 0.040 . 2 . . . . 256 GLN HE21 . 25288 1 1006 . 2 1 39 39 GLN HE22 H 1 7.459 0.040 . 2 . . . . 256 GLN HE22 . 25288 1 1007 . 2 1 39 39 GLN CA C 13 56.820 0.400 . 1 . . . . 256 GLN CA . 25288 1 1008 . 2 1 39 39 GLN CB C 13 29.605 0.400 . 1 . . . . 256 GLN CB . 25288 1 1009 . 2 1 39 39 GLN CG C 13 34.002 0.400 . 1 . . . . 256 GLN CG . 25288 1 1010 . 2 1 39 39 GLN N N 15 114.980 0.400 . 1 . . . . 256 GLN N . 25288 1 1011 . 2 1 39 39 GLN NE2 N 15 113.099 0.400 . 1 . . . . 256 GLN NE2 . 25288 1 1012 . 2 1 40 40 TRP H H 1 7.349 0.040 . 1 . . . . 257 TRP H . 25288 1 1013 . 2 1 40 40 TRP HA H 1 4.054 0.040 . 1 . . . . 257 TRP HA . 25288 1 1014 . 2 1 40 40 TRP HB2 H 1 3.114 0.040 . 2 . . . . 257 TRP HB2 . 25288 1 1015 . 2 1 40 40 TRP HB3 H 1 2.810 0.040 . 2 . . . . 257 TRP HB3 . 25288 1 1016 . 2 1 40 40 TRP HD1 H 1 6.362 0.040 . 1 . . . . 257 TRP HD1 . 25288 1 1017 . 2 1 40 40 TRP HE1 H 1 10.340 0.040 . 1 . . . . 257 TRP HE1 . 25288 1 1018 . 2 1 40 40 TRP HE3 H 1 7.019 0.040 . 1 . . . . 257 TRP HE3 . 25288 1 1019 . 2 1 40 40 TRP HZ2 H 1 7.131 0.040 . 1 . . . . 257 TRP HZ2 . 25288 1 1020 . 2 1 40 40 TRP HZ3 H 1 7.038 0.040 . 1 . . . . 257 TRP HZ3 . 25288 1 1021 . 2 1 40 40 TRP HH2 H 1 7.076 0.040 . 1 . . . . 257 TRP HH2 . 25288 1 1022 . 2 1 40 40 TRP CA C 13 59.578 0.400 . 1 . . . . 257 TRP CA . 25288 1 1023 . 2 1 40 40 TRP CB C 13 28.962 0.400 . 1 . . . . 257 TRP CB . 25288 1 1024 . 2 1 40 40 TRP CD1 C 13 127.365 0.400 . 1 . . . . 257 TRP CD1 . 25288 1 1025 . 2 1 40 40 TRP CE3 C 13 121.023 0.400 . 1 . . . . 257 TRP CE3 . 25288 1 1026 . 2 1 40 40 TRP CZ2 C 13 113.840 0.400 . 1 . . . . 257 TRP CZ2 . 25288 1 1027 . 2 1 40 40 TRP CZ3 C 13 121.969 0.400 . 1 . . . . 257 TRP CZ3 . 25288 1 1028 . 2 1 40 40 TRP CH2 C 13 124.600 0.400 . 1 . . . . 257 TRP CH2 . 25288 1 1029 . 2 1 40 40 TRP N N 15 118.736 0.400 . 1 . . . . 257 TRP N . 25288 1 1030 . 2 1 40 40 TRP NE1 N 15 130.108 0.040 . 1 . . . . 257 TRP NE1 . 25288 1 1031 . 2 1 41 41 PHE H H 1 7.455 0.040 . 1 . . . . 258 PHE H . 25288 1 1032 . 2 1 41 41 PHE HA H 1 4.286 0.040 . 1 . . . . 258 PHE HA . 25288 1 1033 . 2 1 41 41 PHE HB2 H 1 3.066 0.040 . 2 . . . . 258 PHE HB2 . 25288 1 1034 . 2 1 41 41 PHE HB3 H 1 2.408 0.040 . 2 . . . . 258 PHE HB3 . 25288 1 1035 . 2 1 41 41 PHE HD1 H 1 6.838 0.040 . 3 . . . . 258 PHE QD . 25288 1 1036 . 2 1 41 41 PHE HD2 H 1 6.838 0.040 . 3 . . . . 258 PHE QD . 25288 1 1037 . 2 1 41 41 PHE HE1 H 1 7.330 0.040 . 3 . . . . 258 PHE QE . 25288 1 1038 . 2 1 41 41 PHE HE2 H 1 7.330 0.040 . 3 . . . . 258 PHE QE . 25288 1 1039 . 2 1 41 41 PHE CA C 13 60.789 0.400 . 1 . . . . 258 PHE CA . 25288 1 1040 . 2 1 41 41 PHE CB C 13 40.921 0.400 . 1 . . . . 258 PHE CB . 25288 1 1041 . 2 1 41 41 PHE CD1 C 13 130.644 0.400 . 1 . . . . 258 PHE CD1 . 25288 1 1042 . 2 1 41 41 PHE CD2 C 13 130.644 0.400 . 1 . . . . 258 PHE CD2 . 25288 1 1043 . 2 1 41 41 PHE CE1 C 13 131.225 0.400 . 1 . . . . 258 PHE CE1 . 25288 1 1044 . 2 1 41 41 PHE CE2 C 13 131.225 0.400 . 1 . . . . 258 PHE CE2 . 25288 1 1045 . 2 1 41 41 PHE N N 15 113.516 0.400 . 1 . . . . 258 PHE N . 25288 1 1046 . 2 1 42 42 LEU H H 1 7.833 0.040 . 1 . . . . 259 LEU H . 25288 1 1047 . 2 1 42 42 LEU HA H 1 4.181 0.040 . 1 . . . . 259 LEU HA . 25288 1 1048 . 2 1 42 42 LEU HB2 H 1 0.493 0.040 . 2 . . . . 259 LEU HB2 . 25288 1 1049 . 2 1 42 42 LEU HB3 H 1 0.536 0.040 . 2 . . . . 259 LEU HB3 . 25288 1 1050 . 2 1 42 42 LEU HG H 1 0.380 0.040 . 1 . . . . 259 LEU HG . 25288 1 1051 . 2 1 42 42 LEU HD11 H 1 0.543 0.040 . 2 . . . . 259 LEU MD1 . 25288 1 1052 . 2 1 42 42 LEU HD12 H 1 0.543 0.040 . 2 . . . . 259 LEU MD1 . 25288 1 1053 . 2 1 42 42 LEU HD13 H 1 0.543 0.040 . 2 . . . . 259 LEU MD1 . 25288 1 1054 . 2 1 42 42 LEU HD21 H 1 0.938 0.040 . 2 . . . . 259 LEU MD2 . 25288 1 1055 . 2 1 42 42 LEU HD22 H 1 0.938 0.040 . 2 . . . . 259 LEU MD2 . 25288 1 1056 . 2 1 42 42 LEU HD23 H 1 0.938 0.040 . 2 . . . . 259 LEU MD2 . 25288 1 1057 . 2 1 42 42 LEU CA C 13 53.838 0.400 . 1 . . . . 259 LEU CA . 25288 1 1058 . 2 1 42 42 LEU CB C 13 44.243 0.400 . 1 . . . . 259 LEU CB . 25288 1 1059 . 2 1 42 42 LEU CG C 13 26.325 0.400 . 1 . . . . 259 LEU CG . 25288 1 1060 . 2 1 42 42 LEU CD1 C 13 23.491 0.400 . 2 . . . . 259 LEU CD1 . 25288 1 1061 . 2 1 42 42 LEU CD2 C 13 26.137 0.400 . 2 . . . . 259 LEU CD2 . 25288 1 1062 . 2 1 42 42 LEU N N 15 118.805 0.400 . 1 . . . . 259 LEU N . 25288 1 1063 . 2 1 43 43 LYS H H 1 7.997 0.040 . 1 . . . . 260 LYS H . 25288 1 1064 . 2 1 43 43 LYS HA H 1 4.242 0.040 . 1 . . . . 260 LYS HA . 25288 1 1065 . 2 1 43 43 LYS HB2 H 1 1.714 0.040 . 2 . . . . 260 LYS HB2 . 25288 1 1066 . 2 1 43 43 LYS HB3 H 1 1.627 0.040 . 2 . . . . 260 LYS HB3 . 25288 1 1067 . 2 1 43 43 LYS HG2 H 1 1.237 0.040 . 2 . . . . 260 LYS HG2 . 25288 1 1068 . 2 1 43 43 LYS HG3 H 1 1.164 0.040 . 2 . . . . 260 LYS HG3 . 25288 1 1069 . 2 1 43 43 LYS HD2 H 1 1.487 0.040 . 2 . . . . 260 LYS QD . 25288 1 1070 . 2 1 43 43 LYS HD3 H 1 1.487 0.040 . 2 . . . . 260 LYS QD . 25288 1 1071 . 2 1 43 43 LYS HE2 H 1 2.879 0.040 . 2 . . . . 260 LYS HE2 . 25288 1 1072 . 2 1 43 43 LYS HE3 H 1 2.821 0.040 . 2 . . . . 260 LYS HE3 . 25288 1 1073 . 2 1 43 43 LYS CA C 13 55.141 0.400 . 1 . . . . 260 LYS CA . 25288 1 1074 . 2 1 43 43 LYS CB C 13 31.192 0.400 . 1 . . . . 260 LYS CB . 25288 1 1075 . 2 1 43 43 LYS CG C 13 24.513 0.400 . 1 . . . . 260 LYS CG . 25288 1 1076 . 2 1 43 43 LYS CD C 13 28.926 0.400 . 1 . . . . 260 LYS CD . 25288 1 1077 . 2 1 43 43 LYS CE C 13 42.443 0.400 . 1 . . . . 260 LYS CE . 25288 1 1078 . 2 1 43 43 LYS N N 15 120.854 0.400 . 1 . . . . 260 LYS N . 25288 1 1079 . 2 1 44 44 HIS H H 1 8.289 0.040 . 1 . . . . 261 HIS H . 25288 1 1080 . 2 1 44 44 HIS HA H 1 5.115 0.040 . 1 . . . . 261 HIS HA . 25288 1 1081 . 2 1 44 44 HIS HB2 H 1 3.555 0.040 . 2 . . . . 261 HIS HB2 . 25288 1 1082 . 2 1 44 44 HIS HB3 H 1 2.868 0.040 . 2 . . . . 261 HIS HB3 . 25288 1 1083 . 2 1 44 44 HIS HD2 H 1 6.905 0.040 . 1 . . . . 261 HIS HD2 . 25288 1 1084 . 2 1 44 44 HIS HE1 H 1 7.605 0.040 . 1 . . . . 261 HIS HE1 . 25288 1 1085 . 2 1 44 44 HIS CA C 13 52.378 0.400 . 1 . . . . 261 HIS CA . 25288 1 1086 . 2 1 44 44 HIS CB C 13 38.129 0.400 . 1 . . . . 261 HIS CB . 25288 1 1087 . 2 1 44 44 HIS CD2 C 13 117.395 0.400 . 1 . . . . 261 HIS CD2 . 25288 1 1088 . 2 1 44 44 HIS CE1 C 13 139.519 0.400 . 1 . . . . 261 HIS CE1 . 25288 1 1089 . 2 1 44 44 HIS N N 15 122.514 0.400 . 1 . . . . 261 HIS N . 25288 1 1090 . 2 1 45 45 GLU H H 1 9.324 0.040 . 1 . . . . 262 GLU H . 25288 1 1091 . 2 1 45 45 GLU HA H 1 4.571 0.040 . 1 . . . . 262 GLU HA . 25288 1 1092 . 2 1 45 45 GLU HB2 H 1 2.069 0.040 . 2 . . . . 262 GLU HB2 . 25288 1 1093 . 2 1 45 45 GLU HB3 H 1 2.220 0.040 . 2 . . . . 262 GLU HB3 . 25288 1 1094 . 2 1 45 45 GLU HG2 H 1 2.283 0.040 . 2 . . . . 262 GLU HG2 . 25288 1 1095 . 2 1 45 45 GLU HG3 H 1 2.380 0.040 . 2 . . . . 262 GLU HG3 . 25288 1 1096 . 2 1 45 45 GLU CA C 13 56.528 0.400 . 1 . . . . 262 GLU CA . 25288 1 1097 . 2 1 45 45 GLU CB C 13 30.271 0.400 . 1 . . . . 262 GLU CB . 25288 1 1098 . 2 1 45 45 GLU CG C 13 36.326 0.400 . 1 . . . . 262 GLU CG . 25288 1 1099 . 2 1 45 45 GLU N N 15 123.113 0.400 . 1 . . . . 262 GLU N . 25288 1 1100 . 2 1 46 46 ALA H H 1 8.335 0.040 . 1 . . . . 263 ALA H . 25288 1 1101 . 2 1 46 46 ALA HA H 1 5.172 0.040 . 1 . . . . 263 ALA HA . 25288 1 1102 . 2 1 46 46 ALA HB1 H 1 1.367 0.040 . 1 . . . . 263 ALA MB . 25288 1 1103 . 2 1 46 46 ALA HB2 H 1 1.367 0.040 . 1 . . . . 263 ALA MB . 25288 1 1104 . 2 1 46 46 ALA HB3 H 1 1.367 0.040 . 1 . . . . 263 ALA MB . 25288 1 1105 . 2 1 46 46 ALA CA C 13 51.676 0.400 . 1 . . . . 263 ALA CA . 25288 1 1106 . 2 1 46 46 ALA CB C 13 23.038 0.400 . 1 . . . . 263 ALA CB . 25288 1 1107 . 2 1 46 46 ALA N N 15 126.233 0.400 . 1 . . . . 263 ALA N . 25288 1 1108 . 2 1 47 47 ARG H H 1 8.960 0.040 . 1 . . . . 264 ARG H . 25288 1 1109 . 2 1 47 47 ARG HA H 1 5.307 0.040 . 1 . . . . 264 ARG HA . 25288 1 1110 . 2 1 47 47 ARG HB2 H 1 2.001 0.040 . 2 . . . . 264 ARG HB2 . 25288 1 1111 . 2 1 47 47 ARG HB3 H 1 2.094 0.040 . 2 . . . . 264 ARG HB3 . 25288 1 1112 . 2 1 47 47 ARG HG2 H 1 1.762 0.040 . 2 . . . . 264 ARG QG . 25288 1 1113 . 2 1 47 47 ARG HG3 H 1 1.762 0.040 . 2 . . . . 264 ARG QG . 25288 1 1114 . 2 1 47 47 ARG HD2 H 1 3.338 0.040 . 2 . . . . 264 ARG QD . 25288 1 1115 . 2 1 47 47 ARG HD3 H 1 3.338 0.040 . 2 . . . . 264 ARG QD . 25288 1 1116 . 2 1 47 47 ARG HE H 1 7.279 0.040 . 1 . . . . 264 ARG HE . 25288 1 1117 . 2 1 47 47 ARG CA C 13 53.204 0.400 . 1 . . . . 264 ARG CA . 25288 1 1118 . 2 1 47 47 ARG CB C 13 32.570 0.400 . 1 . . . . 264 ARG CB . 25288 1 1119 . 2 1 47 47 ARG CG C 13 26.697 0.400 . 1 . . . . 264 ARG CG . 25288 1 1120 . 2 1 47 47 ARG CD C 13 43.684 0.400 . 1 . . . . 264 ARG CD . 25288 1 1121 . 2 1 47 47 ARG N N 15 118.539 0.400 . 1 . . . . 264 ARG N . 25288 1 1122 . 2 1 47 47 ARG NE N 15 84.587 0.040 . 1 . . . . 264 ARG NE . 25288 1 1123 . 2 1 48 48 PRO HA H 1 4.421 0.040 . 1 . . . . 265 PRO HA . 25288 1 1124 . 2 1 48 48 PRO HB2 H 1 2.124 0.040 . 2 . . . . 265 PRO HB2 . 25288 1 1125 . 2 1 48 48 PRO HB3 H 1 1.838 0.040 . 2 . . . . 265 PRO HB3 . 25288 1 1126 . 2 1 48 48 PRO HG2 H 1 2.084 0.040 . 2 . . . . 265 PRO HG2 . 25288 1 1127 . 2 1 48 48 PRO HG3 H 1 2.151 0.040 . 2 . . . . 265 PRO HG3 . 25288 1 1128 . 2 1 48 48 PRO HD2 H 1 3.830 0.040 . 2 . . . . 265 PRO HD2 . 25288 1 1129 . 2 1 48 48 PRO HD3 H 1 4.020 0.040 . 2 . . . . 265 PRO HD3 . 25288 1 1130 . 2 1 48 48 PRO CA C 13 62.259 0.400 . 1 . . . . 265 PRO CA . 25288 1 1131 . 2 1 48 48 PRO CB C 13 32.121 0.400 . 1 . . . . 265 PRO CB . 25288 1 1132 . 2 1 48 48 PRO CG C 13 27.673 0.400 . 1 . . . . 265 PRO CG . 25288 1 1133 . 2 1 48 48 PRO CD C 13 51.260 0.400 . 1 . . . . 265 PRO CD . 25288 1 1134 . 2 1 49 49 LEU H H 1 7.720 0.040 . 1 . . . . 266 LEU H . 25288 1 1135 . 2 1 49 49 LEU HA H 1 4.018 0.040 . 1 . . . . 266 LEU HA . 25288 1 1136 . 2 1 49 49 LEU HB2 H 1 1.306 0.040 . 2 . . . . 266 LEU HB2 . 25288 1 1137 . 2 1 49 49 LEU HB3 H 1 1.379 0.040 . 2 . . . . 266 LEU HB3 . 25288 1 1138 . 2 1 49 49 LEU HG H 1 1.160 0.040 . 1 . . . . 266 LEU HG . 25288 1 1139 . 2 1 49 49 LEU HD11 H 1 0.583 0.040 . 2 . . . . 266 LEU MD1 . 25288 1 1140 . 2 1 49 49 LEU HD12 H 1 0.583 0.040 . 2 . . . . 266 LEU MD1 . 25288 1 1141 . 2 1 49 49 LEU HD13 H 1 0.583 0.040 . 2 . . . . 266 LEU MD1 . 25288 1 1142 . 2 1 49 49 LEU HD21 H 1 0.646 0.040 . 2 . . . . 266 LEU MD2 . 25288 1 1143 . 2 1 49 49 LEU HD22 H 1 0.646 0.040 . 2 . . . . 266 LEU MD2 . 25288 1 1144 . 2 1 49 49 LEU HD23 H 1 0.646 0.040 . 2 . . . . 266 LEU MD2 . 25288 1 1145 . 2 1 49 49 LEU CA C 13 55.981 0.400 . 1 . . . . 266 LEU CA . 25288 1 1146 . 2 1 49 49 LEU CB C 13 41.888 0.400 . 1 . . . . 266 LEU CB . 25288 1 1147 . 2 1 49 49 LEU CG C 13 27.290 0.400 . 1 . . . . 266 LEU CG . 25288 1 1148 . 2 1 49 49 LEU CD1 C 13 25.269 0.400 . 1 . . . . 266 LEU CD1 . 25288 1 1149 . 2 1 49 49 LEU CD2 C 13 25.269 0.400 . 1 . . . . 266 LEU CD2 . 25288 1 1150 . 2 1 49 49 LEU N N 15 121.733 0.400 . 1 . . . . 266 LEU N . 25288 1 1151 . 2 1 50 50 ALA H H 1 7.988 0.040 . 1 . . . . 267 ALA H . 25288 1 1152 . 2 1 50 50 ALA HA H 1 4.332 0.040 . 1 . . . . 267 ALA HA . 25288 1 1153 . 2 1 50 50 ALA HB1 H 1 1.284 0.040 . 1 . . . . 267 ALA MB . 25288 1 1154 . 2 1 50 50 ALA HB2 H 1 1.284 0.040 . 1 . . . . 267 ALA MB . 25288 1 1155 . 2 1 50 50 ALA HB3 H 1 1.284 0.040 . 1 . . . . 267 ALA MB . 25288 1 1156 . 2 1 50 50 ALA CA C 13 52.185 0.400 . 1 . . . . 267 ALA CA . 25288 1 1157 . 2 1 50 50 ALA CB C 13 19.634 0.400 . 1 . . . . 267 ALA CB . 25288 1 1158 . 2 1 50 50 ALA N N 15 122.477 0.400 . 1 . . . . 267 ALA N . 25288 1 1159 . 2 1 51 51 GLU H H 1 7.807 0.040 . 1 . . . . 268 GLU H . 25288 1 1160 . 2 1 51 51 GLU HA H 1 4.070 0.040 . 1 . . . . 268 GLU HA . 25288 1 1161 . 2 1 51 51 GLU HB2 H 1 1.849 0.040 . 2 . . . . 268 GLU HB2 . 25288 1 1162 . 2 1 51 51 GLU HB3 H 1 2.019 0.040 . 2 . . . . 268 GLU HB3 . 25288 1 1163 . 2 1 51 51 GLU HG2 H 1 2.174 0.040 . 2 . . . . 268 GLU QG . 25288 1 1164 . 2 1 51 51 GLU HG3 H 1 2.174 0.040 . 2 . . . . 268 GLU QG . 25288 1 1165 . 2 1 51 51 GLU CA C 13 58.155 0.400 . 1 . . . . 268 GLU CA . 25288 1 1166 . 2 1 51 51 GLU CB C 13 31.555 0.400 . 1 . . . . 268 GLU CB . 25288 1 1167 . 2 1 51 51 GLU CG C 13 36.977 0.400 . 1 . . . . 268 GLU CG . 25288 1 1168 . 2 1 51 51 GLU N N 15 125.582 0.400 . 1 . . . . 268 GLU N . 25288 1 stop_ save_