data_4033 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4033 _Entry.Title ; NMR Spectroscopic Studies of the DNA Binding Domain of the Monomer-Binding Nuclear Orphan Receptor, Human ERR2. The Carboxy-Terminal Extension to the Zinc-Finger Region is Unstructured in the Free Form of the Protein. ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1997-05-28 _Entry.Accession_date 1997-05-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; Wild type human protein expressed in E. Coli. Residues Ile98-Ser194. This is the DNA binding domain of the complete ERR2 protein identified in Gigere, V., Yang, N., Segui, P., & Evans, R. (1988) PNAS Vol. 331, 91-94. It was expressed as a fusion protein with GST, then cleaved. This left two additional amino acids on the amino terminus (Gly96-Ser97). ; _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 Daniel Sem . . . 4033 2 Danilo Casimiro . . . 4033 3 Steven Kliewer . . . 4033 4 Joan Provencal . . . 4033 5 Ronald Evans . . . 4033 6 Peter Wright . . . 4033 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4033 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 69 4033 '1H chemical shifts' 398 4033 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 1999-10-10 . reformat BMRB 'Format updated to NMR-STAR version 2.1' 4033 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4033 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Sem, D., Casimiro, D., Kliewer, S., Provencal, J., Evans, R., and Wright, P., "NMR Spectroscopic Studies of the DNA-Binding Domain of the Monomer-Binding Nuclear Orphan Receptor, Human ERR2. The Carboxy Terminal Extension to the Zinc-Finger Region is Unstructured in the Free Form of the Protein," J. Biol. Chem., in press (1997). ; _Citation.Title ; NMR Spectroscopic Studies of the DNA-Binding Domain of the Monomer-Binding Nuclear Orphan Receptor, Human ERR2. The Carboxy Terminal Extension to the Zinc-Finger Region is Unstructured in the Free Form of the Protein. ; _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'Journal of Biological Chemistry' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Daniel Sem . . . 4033 1 2 Danilo Casimiro . . . 4033 1 3 Steven Kliewer . . . 4033 1 4 Joan Provencal . . . 4033 1 5 Ronald Evans . . . 4033 1 6 Peter Wright . . . 4033 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ERR2 4033 1 'Nuclear hormone receptor' 4033 1 'Secondary structure' 4033 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ERR2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ERR2 _Assembly.Entry_ID 4033 _Assembly.ID 1 _Assembly.Name 'Estrogen Related Receptor' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; ERR2 DNA binding domain ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4033 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ERR2 1 $ERR2 . . . native . . . . . 4033 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . SWISS-PROT P11475 . 'HUMAN STEROID HORMONE RECEPTOR ERR2' . . . . 4033 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ERR2 abbreviation 4033 1 'Estrogen Related Receptor' system 4033 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA binding domain' 4033 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ERR2 _Entity.Sf_category entity _Entity.Sf_framecode ERR2 _Entity.Entry_ID 4033 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Estrogen Related Receptor' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AIPKRLCLVCGDIASGYHYG VASCEACKAFFKRTIQGNIE YSCPATNECEITKRRRKSCQ ACRFMKCLKVGMLKEGVRLD RVRGGRQKYKRRLDSENS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The DNA binding domain of a nuclear hormone transcription factor' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4034 . "Estrogen Related Receptor" . . . . . 100.00 98 98.98 98.98 1.26e-62 . . . . 4033 1 2 no PDB 1LO1 . "Estrogen Related Receptor 2 Dna Binding Domain In Complex With Dna" . . . . . 98.98 98 98.97 98.97 6.46e-62 . . . . 4033 1 3 no DBJ BAC27656 . "unnamed protein product [Mus musculus]" . . . . . 100.00 433 98.98 100.00 5.71e-62 . . . . 4033 1 4 no DBJ BAC34898 . "unnamed protein product [Mus musculus]" . . . . . 100.00 433 98.98 100.00 5.47e-62 . . . . 4033 1 5 no DBJ BAG73125 . "estrogen-related receptor beta [synthetic construct]" . . . . . 100.00 500 98.98 100.00 1.47e-63 . . . . 4033 1 6 no DBJ BAH02305 . "estrogen-related receptor beta [Homo sapiens]" . . . . . 100.00 433 98.98 100.00 8.56e-62 . . . . 4033 1 7 no EMBL CAA35779 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 433 100.00 100.00 1.50e-62 . . . . 4033 1 8 no EMBL CAA61755 . "estrogen receptor related receptor cDNA-2 [Mus musculus]" . . . . . 100.00 433 98.98 100.00 6.70e-62 . . . . 4033 1 9 no EMBL CAG09135 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 98.98 434 100.00 100.00 6.16e-62 . . . . 4033 1 10 no EMBL CDQ87849 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 77.55 173 98.68 100.00 1.37e-46 . . . . 4033 1 11 no GB AAB37687 . "mERR-2 [Mus sp.]" . . . . . 100.00 433 98.98 100.00 6.70e-62 . . . . 4033 1 12 no GB AAC99409 . "nuclear receptor ERRB2 [Homo sapiens]" . . . . . 100.00 500 98.98 100.00 1.47e-63 . . . . 4033 1 13 no GB AAG29619 . "hERRB2 [Homo sapiens]" . . . . . 100.00 262 98.98 100.00 1.80e-62 . . . . 4033 1 14 no GB AAH44858 . "Esrrb protein, partial [Mus musculus]" . . . . . 100.00 434 98.98 100.00 7.31e-62 . . . . 4033 1 15 no GB AAI11278 . "ESRRB protein [Bos taurus]" . . . . . 100.00 478 98.98 100.00 1.09e-60 . . . . 4033 1 16 no PIR B29345 . "steroid hormone receptor ERR2 precursor - human" . . . . . 100.00 433 100.00 100.00 1.50e-62 . . . . 4033 1 17 no PRF 1402310B . "cryptic steroid hormone receptor 2" . . . . . 100.00 433 100.00 100.00 1.50e-62 . . . . 4033 1 18 no REF NP_001008516 . "steroid hormone receptor ERR2 [Rattus norvegicus]" . . . . . 100.00 433 100.00 100.00 1.50e-62 . . . . 4033 1 19 no REF NP_001093680 . "estrogen-related receptor gamma [Xenopus (Silurana) tropicalis]" . . . . . 100.00 435 96.94 100.00 8.95e-63 . . . . 4033 1 20 no REF NP_001098388 . "steroid hormone receptor ERR2 [Oryzias latipes]" . . . . . 100.00 433 96.94 100.00 3.08e-62 . . . . 4033 1 21 no REF NP_001152972 . "steroid hormone receptor ERR2 isoform 2 [Mus musculus]" . . . . . 100.00 438 98.98 100.00 7.04e-62 . . . . 4033 1 22 no REF NP_001156563 . "estrogen-related receptor beta type 2 [Oryzias latipes]" . . . . . 98.98 431 100.00 100.00 3.80e-62 . . . . 4033 1 23 no SP O95718 . "RecName: Full=Steroid hormone receptor ERR2; AltName: Full=ERR beta-2; AltName: Full=Estrogen receptor-like 2; AltName: Full=Es" . . . . . 100.00 508 98.98 100.00 3.95e-62 . . . . 4033 1 24 no SP P11475 . "RecName: Full=Steroid hormone receptor ERR2; AltName: Full=Estrogen receptor-like 2; AltName: Full=Estrogen-related receptor be" . . . . . 100.00 433 100.00 100.00 1.50e-62 . . . . 4033 1 25 no SP Q61539 . "RecName: Full=Steroid hormone receptor ERR2; AltName: Full=Estrogen receptor-like 2; AltName: Full=Estrogen-related receptor be" . . . . . 100.00 433 98.98 100.00 5.47e-62 . . . . 4033 1 26 no TPG DAA24995 . "TPA: estrogen-related receptor beta [Bos taurus]" . . . . . 100.00 505 98.98 100.00 2.13e-60 . . . . 4033 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ERR2 abbreviation 4033 1 ERR2 variant 4033 1 'Estrogen Related Receptor' common 4033 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 97 ALA . 4033 1 2 98 ILE . 4033 1 3 99 PRO . 4033 1 4 100 LYS . 4033 1 5 101 ARG . 4033 1 6 102 LEU . 4033 1 7 103 CYS . 4033 1 8 104 LEU . 4033 1 9 105 VAL . 4033 1 10 106 CYS . 4033 1 11 107 GLY . 4033 1 12 108 ASP . 4033 1 13 109 ILE . 4033 1 14 110 ALA . 4033 1 15 111 SER . 4033 1 16 112 GLY . 4033 1 17 113 TYR . 4033 1 18 114 HIS . 4033 1 19 115 TYR . 4033 1 20 116 GLY . 4033 1 21 117 VAL . 4033 1 22 118 ALA . 4033 1 23 119 SER . 4033 1 24 120 CYS . 4033 1 25 121 GLU . 4033 1 26 122 ALA . 4033 1 27 123 CYS . 4033 1 28 124 LYS . 4033 1 29 125 ALA . 4033 1 30 126 PHE . 4033 1 31 127 PHE . 4033 1 32 128 LYS . 4033 1 33 129 ARG . 4033 1 34 130 THR . 4033 1 35 131 ILE . 4033 1 36 132 GLN . 4033 1 37 133 GLY . 4033 1 38 134 ASN . 4033 1 39 135 ILE . 4033 1 40 136 GLU . 4033 1 41 137 TYR . 4033 1 42 138 SER . 4033 1 43 139 CYS . 4033 1 44 140 PRO . 4033 1 45 141 ALA . 4033 1 46 142 THR . 4033 1 47 143 ASN . 4033 1 48 144 GLU . 4033 1 49 145 CYS . 4033 1 50 146 GLU . 4033 1 51 147 ILE . 4033 1 52 148 THR . 4033 1 53 149 LYS . 4033 1 54 150 ARG . 4033 1 55 151 ARG . 4033 1 56 152 ARG . 4033 1 57 153 LYS . 4033 1 58 154 SER . 4033 1 59 155 CYS . 4033 1 60 156 GLN . 4033 1 61 157 ALA . 4033 1 62 158 CYS . 4033 1 63 159 ARG . 4033 1 64 160 PHE . 4033 1 65 161 MET . 4033 1 66 162 LYS . 4033 1 67 163 CYS . 4033 1 68 164 LEU . 4033 1 69 165 LYS . 4033 1 70 166 VAL . 4033 1 71 167 GLY . 4033 1 72 168 MET . 4033 1 73 169 LEU . 4033 1 74 170 LYS . 4033 1 75 171 GLU . 4033 1 76 172 GLY . 4033 1 77 173 VAL . 4033 1 78 174 ARG . 4033 1 79 175 LEU . 4033 1 80 176 ASP . 4033 1 81 177 ARG . 4033 1 82 178 VAL . 4033 1 83 179 ARG . 4033 1 84 180 GLY . 4033 1 85 181 GLY . 4033 1 86 182 ARG . 4033 1 87 183 GLN . 4033 1 88 184 LYS . 4033 1 89 185 TYR . 4033 1 90 186 LYS . 4033 1 91 187 ARG . 4033 1 92 188 ARG . 4033 1 93 189 LEU . 4033 1 94 190 ASP . 4033 1 95 191 SER . 4033 1 96 192 GLU . 4033 1 97 193 ASN . 4033 1 98 194 SER . 4033 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 . ALA 1 1 4033 1 . ILE 2 2 4033 1 . PRO 3 3 4033 1 . LYS 4 4 4033 1 . ARG 5 5 4033 1 . LEU 6 6 4033 1 . CYS 7 7 4033 1 . LEU 8 8 4033 1 . VAL 9 9 4033 1 . CYS 10 10 4033 1 . GLY 11 11 4033 1 . ASP 12 12 4033 1 . ILE 13 13 4033 1 . ALA 14 14 4033 1 . SER 15 15 4033 1 . GLY 16 16 4033 1 . TYR 17 17 4033 1 . HIS 18 18 4033 1 . TYR 19 19 4033 1 . GLY 20 20 4033 1 . VAL 21 21 4033 1 . ALA 22 22 4033 1 . SER 23 23 4033 1 . CYS 24 24 4033 1 . GLU 25 25 4033 1 . ALA 26 26 4033 1 . CYS 27 27 4033 1 . LYS 28 28 4033 1 . ALA 29 29 4033 1 . PHE 30 30 4033 1 . PHE 31 31 4033 1 . LYS 32 32 4033 1 . ARG 33 33 4033 1 . THR 34 34 4033 1 . ILE 35 35 4033 1 . GLN 36 36 4033 1 . GLY 37 37 4033 1 . ASN 38 38 4033 1 . ILE 39 39 4033 1 . GLU 40 40 4033 1 . TYR 41 41 4033 1 . SER 42 42 4033 1 . CYS 43 43 4033 1 . PRO 44 44 4033 1 . ALA 45 45 4033 1 . THR 46 46 4033 1 . ASN 47 47 4033 1 . GLU 48 48 4033 1 . CYS 49 49 4033 1 . GLU 50 50 4033 1 . ILE 51 51 4033 1 . THR 52 52 4033 1 . LYS 53 53 4033 1 . ARG 54 54 4033 1 . ARG 55 55 4033 1 . ARG 56 56 4033 1 . LYS 57 57 4033 1 . SER 58 58 4033 1 . CYS 59 59 4033 1 . GLN 60 60 4033 1 . ALA 61 61 4033 1 . CYS 62 62 4033 1 . ARG 63 63 4033 1 . PHE 64 64 4033 1 . MET 65 65 4033 1 . LYS 66 66 4033 1 . CYS 67 67 4033 1 . LEU 68 68 4033 1 . LYS 69 69 4033 1 . VAL 70 70 4033 1 . GLY 71 71 4033 1 . MET 72 72 4033 1 . LEU 73 73 4033 1 . LYS 74 74 4033 1 . GLU 75 75 4033 1 . GLY 76 76 4033 1 . VAL 77 77 4033 1 . ARG 78 78 4033 1 . LEU 79 79 4033 1 . ASP 80 80 4033 1 . ARG 81 81 4033 1 . VAL 82 82 4033 1 . ARG 83 83 4033 1 . GLY 84 84 4033 1 . GLY 85 85 4033 1 . ARG 86 86 4033 1 . GLN 87 87 4033 1 . LYS 88 88 4033 1 . TYR 89 89 4033 1 . LYS 90 90 4033 1 . ARG 91 91 4033 1 . ARG 92 92 4033 1 . LEU 93 93 4033 1 . ASP 94 94 4033 1 . SER 95 95 4033 1 . GLU 96 96 4033 1 . ASN 97 97 4033 1 . SER 98 98 4033 1 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 4033 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ERR2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4033 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 4033 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ERR2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . plasmid . . pGEX . . . 'natural source' . . 4033 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4033 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'This is the DNA binding domain only (no DNA is present)' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Estrogen Related Receptor' [U-15N] . . 1 $ERR2 . . 1 . . mM . . . . 4033 1 2 phosphate . . . . . . . 20 . . mM . . . . 4033 1 3 DTT . . . . . . . 10 . . mM . . . . 4033 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4033 _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 6.6 0.1 n/a 4033 1 temperature 300 0.1 K 4033 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4033 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 4033 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4033 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 4033 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4033 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct . . . . . . . . . . 4033 1 N 15 H2O protons . . . . ppm 118.04 . indirect 0.101329122 . . . . . . . . . 4033 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_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4033 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4033 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 ALA H H 1 8.21 0.02 . 1 . . . . . . . . 4033 1 2 . 1 1 1 1 ALA HA H 1 4.33 0.02 . 1 . . . . . . . . 4033 1 3 . 1 1 1 1 ALA HB1 H 1 1.32 0.02 . 1 . . . . . . . . 4033 1 4 . 1 1 1 1 ALA HB2 H 1 1.32 0.02 . 1 . . . . . . . . 4033 1 5 . 1 1 1 1 ALA HB3 H 1 1.32 0.02 . 1 . . . . . . . . 4033 1 6 . 1 1 2 2 ILE N N 15 122.3 0.04 . 1 . . . . . . . . 4033 1 7 . 1 1 2 2 ILE H H 1 8.11 0.02 . 1 . . . . . . . . 4033 1 8 . 1 1 2 2 ILE HA H 1 4.41 0.02 . 1 . . . . . . . . 4033 1 9 . 1 1 2 2 ILE HB H 1 1.85 0.02 . 1 . . . . . . . . 4033 1 10 . 1 1 2 2 ILE HG12 H 1 1.51 0.02 . 2 . . . . . . . . 4033 1 11 . 1 1 2 2 ILE HG13 H 1 1.18 0.02 . 2 . . . . . . . . 4033 1 12 . 1 1 2 2 ILE HG21 H 1 0.94 0.02 . 1 . . . . . . . . 4033 1 13 . 1 1 2 2 ILE HG22 H 1 0.94 0.02 . 1 . . . . . . . . 4033 1 14 . 1 1 2 2 ILE HG23 H 1 0.94 0.02 . 1 . . . . . . . . 4033 1 15 . 1 1 2 2 ILE HD11 H 1 0.84 0.02 . 1 . . . . . . . . 4033 1 16 . 1 1 2 2 ILE HD12 H 1 0.84 0.02 . 1 . . . . . . . . 4033 1 17 . 1 1 2 2 ILE HD13 H 1 0.84 0.02 . 1 . . . . . . . . 4033 1 18 . 1 1 6 6 LEU N N 15 122.5 0.04 . 1 . . . . . . . . 4033 1 19 . 1 1 6 6 LEU H H 1 7.9 0.02 . 1 . . . . . . . . 4033 1 20 . 1 1 6 6 LEU HA H 1 4.67 0.02 . 1 . . . . . . . . 4033 1 21 . 1 1 6 6 LEU HB2 H 1 1.58 0.02 . 1 . . . . . . . . 4033 1 22 . 1 1 6 6 LEU HB3 H 1 1.58 0.02 . 1 . . . . . . . . 4033 1 23 . 1 1 6 6 LEU HG H 1 1.6 0.02 . 1 . . . . . . . . 4033 1 24 . 1 1 6 6 LEU HD11 H 1 0.87 0.02 . 2 . . . . . . . . 4033 1 25 . 1 1 6 6 LEU HD12 H 1 0.87 0.02 . 2 . . . . . . . . 4033 1 26 . 1 1 6 6 LEU HD13 H 1 0.87 0.02 . 2 . . . . . . . . 4033 1 27 . 1 1 6 6 LEU HD21 H 1 0.69 0.02 . 2 . . . . . . . . 4033 1 28 . 1 1 6 6 LEU HD22 H 1 0.69 0.02 . 2 . . . . . . . . 4033 1 29 . 1 1 6 6 LEU HD23 H 1 0.69 0.02 . 2 . . . . . . . . 4033 1 30 . 1 1 7 7 CYS N N 15 121.9 0.04 . 1 . . . . . . . . 4033 1 31 . 1 1 7 7 CYS H H 1 9.52 0.02 . 1 . . . . . . . . 4033 1 32 . 1 1 7 7 CYS HA H 1 3.92 0.02 . 1 . . . . . . . . 4033 1 33 . 1 1 7 7 CYS HB2 H 1 3.16 0.02 . 2 . . . . . . . . 4033 1 34 . 1 1 7 7 CYS HB3 H 1 2.5 0.02 . 2 . . . . . . . . 4033 1 35 . 1 1 8 8 LEU N N 15 132.1 0.04 . 1 . . . . . . . . 4033 1 36 . 1 1 8 8 LEU H H 1 8.54 0.02 . 1 . . . . . . . . 4033 1 37 . 1 1 8 8 LEU HA H 1 4.1 0.02 . 1 . . . . . . . . 4033 1 38 . 1 1 8 8 LEU HB2 H 1 1.69 0.02 . 2 . . . . . . . . 4033 1 39 . 1 1 8 8 LEU HB3 H 1 1.67 0.02 . 2 . . . . . . . . 4033 1 40 . 1 1 8 8 LEU HG H 1 2.00 0.02 . 1 . . . . . . . . 4033 1 41 . 1 1 8 8 LEU HD11 H 1 1.15 0.02 . 2 . . . . . . . . 4033 1 42 . 1 1 8 8 LEU HD12 H 1 1.15 0.02 . 2 . . . . . . . . 4033 1 43 . 1 1 8 8 LEU HD13 H 1 1.15 0.02 . 2 . . . . . . . . 4033 1 44 . 1 1 8 8 LEU HD21 H 1 1.00 0.02 . 2 . . . . . . . . 4033 1 45 . 1 1 8 8 LEU HD22 H 1 1.00 0.02 . 2 . . . . . . . . 4033 1 46 . 1 1 8 8 LEU HD23 H 1 1.00 0.02 . 2 . . . . . . . . 4033 1 47 . 1 1 9 9 VAL N N 15 119.9 0.04 . 1 . . . . . . . . 4033 1 48 . 1 1 9 9 VAL H H 1 8.9 0.02 . 1 . . . . . . . . 4033 1 49 . 1 1 9 9 VAL HA H 1 3.74 0.02 . 1 . . . . . . . . 4033 1 50 . 1 1 9 9 VAL HB H 1 2.94 0.02 . 1 . . . . . . . . 4033 1 51 . 1 1 9 9 VAL HG11 H 1 1.03 0.02 . 2 . . . . . . . . 4033 1 52 . 1 1 9 9 VAL HG12 H 1 1.03 0.02 . 2 . . . . . . . . 4033 1 53 . 1 1 9 9 VAL HG13 H 1 1.03 0.02 . 2 . . . . . . . . 4033 1 54 . 1 1 9 9 VAL HG21 H 1 0.9 0.02 . 2 . . . . . . . . 4033 1 55 . 1 1 9 9 VAL HG22 H 1 0.9 0.02 . 2 . . . . . . . . 4033 1 56 . 1 1 9 9 VAL HG23 H 1 0.9 0.02 . 2 . . . . . . . . 4033 1 57 . 1 1 10 10 CYS N N 15 117.1 0.04 . 1 . . . . . . . . 4033 1 58 . 1 1 10 10 CYS H H 1 8.32 0.02 . 1 . . . . . . . . 4033 1 59 . 1 1 10 10 CYS HA H 1 4.87 0.02 . 1 . . . . . . . . 4033 1 60 . 1 1 10 10 CYS HB2 H 1 2.94 0.02 . 2 . . . . . . . . 4033 1 61 . 1 1 10 10 CYS HB3 H 1 2.14 0.02 . 2 . . . . . . . . 4033 1 62 . 1 1 11 11 GLY N N 15 111.3 0.04 . 1 . . . . . . . . 4033 1 63 . 1 1 11 11 GLY H H 1 7.87 0.02 . 1 . . . . . . . . 4033 1 64 . 1 1 11 11 GLY HA2 H 1 4.24 0.02 . 2 . . . . . . . . 4033 1 65 . 1 1 11 11 GLY HA3 H 1 3.81 0.02 . 2 . . . . . . . . 4033 1 66 . 1 1 12 12 ASP N N 15 121.1 0.04 . 1 . . . . . . . . 4033 1 67 . 1 1 12 12 ASP H H 1 8.82 0.02 . 1 . . . . . . . . 4033 1 68 . 1 1 12 12 ASP HA H 1 4.76 0.02 . 1 . . . . . . . . 4033 1 69 . 1 1 12 12 ASP HB2 H 1 2.98 0.02 . 2 . . . . . . . . 4033 1 70 . 1 1 12 12 ASP HB3 H 1 2.51 0.02 . 2 . . . . . . . . 4033 1 71 . 1 1 13 13 ILE N N 15 120.8 0.04 . 1 . . . . . . . . 4033 1 72 . 1 1 13 13 ILE H H 1 8.74 0.02 . 1 . . . . . . . . 4033 1 73 . 1 1 13 13 ILE HA H 1 3.86 0.02 . 1 . . . . . . . . 4033 1 74 . 1 1 13 13 ILE HB H 1 1.76 0.02 . 1 . . . . . . . . 4033 1 75 . 1 1 13 13 ILE HG12 H 1 1.26 0.02 . 2 . . . . . . . . 4033 1 76 . 1 1 13 13 ILE HG13 H 1 0.83 0.02 . 2 . . . . . . . . 4033 1 77 . 1 1 13 13 ILE HG21 H 1 0.96 0.02 . 1 . . . . . . . . 4033 1 78 . 1 1 13 13 ILE HG22 H 1 0.96 0.02 . 1 . . . . . . . . 4033 1 79 . 1 1 13 13 ILE HG23 H 1 0.96 0.02 . 1 . . . . . . . . 4033 1 80 . 1 1 13 13 ILE HD11 H 1 0.68 0.02 . 1 . . . . . . . . 4033 1 81 . 1 1 13 13 ILE HD12 H 1 0.68 0.02 . 1 . . . . . . . . 4033 1 82 . 1 1 13 13 ILE HD13 H 1 0.68 0.02 . 1 . . . . . . . . 4033 1 83 . 1 1 14 14 ALA N N 15 128.3 0.04 . 1 . . . . . . . . 4033 1 84 . 1 1 14 14 ALA H H 1 8.54 0.02 . 1 . . . . . . . . 4033 1 85 . 1 1 14 14 ALA HA H 1 3.85 0.02 . 1 . . . . . . . . 4033 1 86 . 1 1 14 14 ALA HB1 H 1 0.95 0.02 . 1 . . . . . . . . 4033 1 87 . 1 1 14 14 ALA HB2 H 1 0.95 0.02 . 1 . . . . . . . . 4033 1 88 . 1 1 14 14 ALA HB3 H 1 0.95 0.02 . 1 . . . . . . . . 4033 1 89 . 1 1 15 15 SER N N 15 116.3 0.04 . 1 . . . . . . . . 4033 1 90 . 1 1 15 15 SER H H 1 8.9 0.02 . 1 . . . . . . . . 4033 1 91 . 1 1 15 15 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 4033 1 92 . 1 1 15 15 SER HB2 H 1 3.9 0.02 . 2 . . . . . . . . 4033 1 93 . 1 1 15 15 SER HB3 H 1 3.85 0.02 . 2 . . . . . . . . 4033 1 94 . 1 1 16 16 GLY N N 15 109.7 0.04 . 1 . . . . . . . . 4033 1 95 . 1 1 16 16 GLY H H 1 7.6 0.02 . 1 . . . . . . . . 4033 1 96 . 1 1 16 16 GLY HA2 H 1 3.8 0.02 . 2 . . . . . . . . 4033 1 97 . 1 1 16 16 GLY HA3 H 1 3.68 0.02 . 2 . . . . . . . . 4033 1 98 . 1 1 17 17 TYR N N 15 120.3 0.04 . 1 . . . . . . . . 4033 1 99 . 1 1 17 17 TYR H H 1 8.16 0.02 . 1 . . . . . . . . 4033 1 100 . 1 1 17 17 TYR HA H 1 4.49 0.02 . 1 . . . . . . . . 4033 1 101 . 1 1 17 17 TYR HB2 H 1 2.62 0.02 . 2 . . . . . . . . 4033 1 102 . 1 1 17 17 TYR HB3 H 1 2.47 0.02 . 2 . . . . . . . . 4033 1 103 . 1 1 17 17 TYR HD1 H 1 6.85 0.02 . 1 . . . . . . . . 4033 1 104 . 1 1 17 17 TYR HD2 H 1 6.85 0.02 . 1 . . . . . . . . 4033 1 105 . 1 1 17 17 TYR HE1 H 1 6.75 0.02 . 1 . . . . . . . . 4033 1 106 . 1 1 17 17 TYR HE2 H 1 6.75 0.02 . 1 . . . . . . . . 4033 1 107 . 1 1 20 20 GLY N N 15 102.00 0.04 . 1 . . . . . . . . 4033 1 108 . 1 1 20 20 GLY H H 1 8.21 0.02 . 1 . . . . . . . . 4033 1 109 . 1 1 20 20 GLY HA2 H 1 4.49 0.02 . 2 . . . . . . . . 4033 1 110 . 1 1 20 20 GLY HA3 H 1 3.52 0.02 . 2 . . . . . . . . 4033 1 111 . 1 1 21 21 VAL N N 15 115.6 0.04 . 1 . . . . . . . . 4033 1 112 . 1 1 21 21 VAL H H 1 7.56 0.02 . 1 . . . . . . . . 4033 1 113 . 1 1 21 21 VAL HA H 1 4.6 0.02 . 1 . . . . . . . . 4033 1 114 . 1 1 21 21 VAL HB H 1 2.00 0.02 . 1 . . . . . . . . 4033 1 115 . 1 1 21 21 VAL HG11 H 1 0.81 0.02 . 2 . . . . . . . . 4033 1 116 . 1 1 21 21 VAL HG12 H 1 0.81 0.02 . 2 . . . . . . . . 4033 1 117 . 1 1 21 21 VAL HG13 H 1 0.81 0.02 . 2 . . . . . . . . 4033 1 118 . 1 1 21 21 VAL HG21 H 1 0.71 0.02 . 2 . . . . . . . . 4033 1 119 . 1 1 21 21 VAL HG22 H 1 0.71 0.02 . 2 . . . . . . . . 4033 1 120 . 1 1 21 21 VAL HG23 H 1 0.71 0.02 . 2 . . . . . . . . 4033 1 121 . 1 1 22 22 ALA N N 15 129.8 0.04 . 1 . . . . . . . . 4033 1 122 . 1 1 22 22 ALA H H 1 8.48 0.02 . 1 . . . . . . . . 4033 1 123 . 1 1 22 22 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 4033 1 124 . 1 1 22 22 ALA HB1 H 1 1.03 0.02 . 1 . . . . . . . . 4033 1 125 . 1 1 22 22 ALA HB2 H 1 1.03 0.02 . 1 . . . . . . . . 4033 1 126 . 1 1 22 22 ALA HB3 H 1 1.03 0.02 . 1 . . . . . . . . 4033 1 127 . 1 1 23 23 SER N N 15 116.8 0.04 . 1 . . . . . . . . 4033 1 128 . 1 1 23 23 SER H H 1 8.36 0.02 . 1 . . . . . . . . 4033 1 129 . 1 1 23 23 SER HA H 1 6.1 0.02 . 1 . . . . . . . . 4033 1 130 . 1 1 23 23 SER HB2 H 1 3.92 0.02 . 2 . . . . . . . . 4033 1 131 . 1 1 23 23 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 4033 1 132 . 1 1 24 24 CYS N N 15 120.3 0.04 . 1 . . . . . . . . 4033 1 133 . 1 1 24 24 CYS H H 1 9.31 0.02 . 1 . . . . . . . . 4033 1 134 . 1 1 24 24 CYS HA H 1 5.14 0.02 . 1 . . . . . . . . 4033 1 135 . 1 1 24 24 CYS HB2 H 1 3.56 0.02 . 2 . . . . . . . . 4033 1 136 . 1 1 24 24 CYS HB3 H 1 2.85 0.02 . 2 . . . . . . . . 4033 1 137 . 1 1 25 25 GLU N N 15 119.2 0.04 . 1 . . . . . . . . 4033 1 138 . 1 1 25 25 GLU H H 1 8.82 0.02 . 1 . . . . . . . . 4033 1 139 . 1 1 25 25 GLU HA H 1 3.76 0.02 . 1 . . . . . . . . 4033 1 140 . 1 1 25 25 GLU HB2 H 1 2.06 0.02 . 2 . . . . . . . . 4033 1 141 . 1 1 25 25 GLU HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4033 1 142 . 1 1 25 25 GLU HG2 H 1 2.44 0.02 . 2 . . . . . . . . 4033 1 143 . 1 1 25 25 GLU HG3 H 1 2.35 0.02 . 2 . . . . . . . . 4033 1 144 . 1 1 26 26 ALA N N 15 124.2 0.04 . 1 . . . . . . . . 4033 1 145 . 1 1 26 26 ALA H H 1 8.37 0.02 . 1 . . . . . . . . 4033 1 146 . 1 1 26 26 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 4033 1 147 . 1 1 26 26 ALA HB1 H 1 1.59 0.02 . 1 . . . . . . . . 4033 1 148 . 1 1 26 26 ALA HB2 H 1 1.59 0.02 . 1 . . . . . . . . 4033 1 149 . 1 1 26 26 ALA HB3 H 1 1.59 0.02 . 1 . . . . . . . . 4033 1 150 . 1 1 27 27 CYS N N 15 125.7 0.04 . 1 . . . . . . . . 4033 1 151 . 1 1 27 27 CYS H H 1 9.49 0.02 . 1 . . . . . . . . 4033 1 152 . 1 1 27 27 CYS HA H 1 4.07 0.02 . 1 . . . . . . . . 4033 1 153 . 1 1 27 27 CYS HB2 H 1 2.99 0.02 . 2 . . . . . . . . 4033 1 154 . 1 1 27 27 CYS HB3 H 1 2.92 0.02 . 2 . . . . . . . . 4033 1 155 . 1 1 28 28 LYS N N 15 120.5 0.04 . 1 . . . . . . . . 4033 1 156 . 1 1 28 28 LYS H H 1 7.84 0.02 . 1 . . . . . . . . 4033 1 157 . 1 1 28 28 LYS HA H 1 3.96 0.02 . 1 . . . . . . . . 4033 1 158 . 1 1 28 28 LYS HB2 H 1 1.73 0.02 . 2 . . . . . . . . 4033 1 159 . 1 1 28 28 LYS HB3 H 1 1.71 0.02 . 2 . . . . . . . . 4033 1 160 . 1 1 29 29 ALA N N 15 120.5 0.04 . 1 . . . . . . . . 4033 1 161 . 1 1 29 29 ALA H H 1 8.26 0.02 . 1 . . . . . . . . 4033 1 162 . 1 1 29 29 ALA HA H 1 4.12 0.02 . 1 . . . . . . . . 4033 1 163 . 1 1 29 29 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 4033 1 164 . 1 1 29 29 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4033 1 165 . 1 1 29 29 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 4033 1 166 . 1 1 30 30 PHE N N 15 120.2 0.04 . 1 . . . . . . . . 4033 1 167 . 1 1 30 30 PHE H H 1 8.34 0.02 . 1 . . . . . . . . 4033 1 168 . 1 1 30 30 PHE HA H 1 4.29 0.02 . 1 . . . . . . . . 4033 1 169 . 1 1 30 30 PHE HB2 H 1 3.34 0.02 . 2 . . . . . . . . 4033 1 170 . 1 1 30 30 PHE HB3 H 1 3.2 0.02 . 2 . . . . . . . . 4033 1 171 . 1 1 30 30 PHE HD1 H 1 7.32 0.02 . 1 . . . . . . . . 4033 1 172 . 1 1 30 30 PHE HD2 H 1 7.32 0.02 . 1 . . . . . . . . 4033 1 173 . 1 1 30 30 PHE HE1 H 1 7.16 0.02 . 1 . . . . . . . . 4033 1 174 . 1 1 30 30 PHE HE2 H 1 7.16 0.02 . 1 . . . . . . . . 4033 1 175 . 1 1 30 30 PHE HZ H 1 7.61 0.02 . 1 . . . . . . . . 4033 1 176 . 1 1 31 31 PHE N N 15 126.7 0.04 . 1 . . . . . . . . 4033 1 177 . 1 1 31 31 PHE H H 1 8.92 0.02 . 1 . . . . . . . . 4033 1 178 . 1 1 31 31 PHE HA H 1 3.84 0.02 . 1 . . . . . . . . 4033 1 179 . 1 1 31 31 PHE HB2 H 1 3.59 0.02 . 2 . . . . . . . . 4033 1 180 . 1 1 31 31 PHE HB3 H 1 3.17 0.02 . 2 . . . . . . . . 4033 1 181 . 1 1 31 31 PHE HD1 H 1 6.89 0.02 . 1 . . . . . . . . 4033 1 182 . 1 1 31 31 PHE HD2 H 1 6.89 0.02 . 1 . . . . . . . . 4033 1 183 . 1 1 31 31 PHE HE1 H 1 6.77 0.02 . 1 . . . . . . . . 4033 1 184 . 1 1 31 31 PHE HE2 H 1 6.77 0.02 . 1 . . . . . . . . 4033 1 185 . 1 1 31 31 PHE HZ H 1 7.01 0.02 . 1 . . . . . . . . 4033 1 186 . 1 1 32 32 LYS N N 15 117.9 0.04 . 1 . . . . . . . . 4033 1 187 . 1 1 32 32 LYS H H 1 8.48 0.02 . 1 . . . . . . . . 4033 1 188 . 1 1 32 32 LYS HA H 1 3.68 0.02 . 1 . . . . . . . . 4033 1 189 . 1 1 32 32 LYS HB2 H 1 1.91 0.02 . 1 . . . . . . . . 4033 1 190 . 1 1 32 32 LYS HB3 H 1 1.91 0.02 . 1 . . . . . . . . 4033 1 191 . 1 1 33 33 ARG N N 15 117.1 0.04 . 1 . . . . . . . . 4033 1 192 . 1 1 33 33 ARG H H 1 8.37 0.02 . 1 . . . . . . . . 4033 1 193 . 1 1 33 33 ARG HA H 1 4.00 0.02 . 1 . . . . . . . . 4033 1 194 . 1 1 33 33 ARG HB2 H 1 1.9 0.02 . 2 . . . . . . . . 4033 1 195 . 1 1 33 33 ARG HB3 H 1 1.77 0.02 . 2 . . . . . . . . 4033 1 196 . 1 1 34 34 THR N N 15 117.3 0.04 . 1 . . . . . . . . 4033 1 197 . 1 1 34 34 THR H H 1 7.63 0.02 . 1 . . . . . . . . 4033 1 198 . 1 1 34 34 THR HA H 1 3.38 0.02 . 1 . . . . . . . . 4033 1 199 . 1 1 34 34 THR HB H 1 3.74 0.02 . 1 . . . . . . . . 4033 1 200 . 1 1 34 34 THR HG21 H 1 0.67 0.02 . 1 . . . . . . . . 4033 1 201 . 1 1 34 34 THR HG22 H 1 0.67 0.02 . 1 . . . . . . . . 4033 1 202 . 1 1 34 34 THR HG23 H 1 0.67 0.02 . 1 . . . . . . . . 4033 1 203 . 1 1 35 35 ILE N N 15 119.6 0.04 . 1 . . . . . . . . 4033 1 204 . 1 1 35 35 ILE H H 1 7.72 0.02 . 1 . . . . . . . . 4033 1 205 . 1 1 35 35 ILE HA H 1 3.69 0.02 . 1 . . . . . . . . 4033 1 206 . 1 1 35 35 ILE HB H 1 1.65 0.02 . 1 . . . . . . . . 4033 1 207 . 1 1 35 35 ILE HG12 H 1 1.00 0.02 . 2 . . . . . . . . 4033 1 208 . 1 1 35 35 ILE HG13 H 1 0.76 0.02 . 2 . . . . . . . . 4033 1 209 . 1 1 35 35 ILE HG21 H 1 0.67 0.02 . 1 . . . . . . . . 4033 1 210 . 1 1 35 35 ILE HG22 H 1 0.67 0.02 . 1 . . . . . . . . 4033 1 211 . 1 1 35 35 ILE HG23 H 1 0.67 0.02 . 1 . . . . . . . . 4033 1 212 . 1 1 35 35 ILE HD11 H 1 0.42 0.02 . 1 . . . . . . . . 4033 1 213 . 1 1 35 35 ILE HD12 H 1 0.42 0.02 . 1 . . . . . . . . 4033 1 214 . 1 1 35 35 ILE HD13 H 1 0.42 0.02 . 1 . . . . . . . . 4033 1 215 . 1 1 36 36 GLN N N 15 119.00 0.04 . 1 . . . . . . . . 4033 1 216 . 1 1 36 36 GLN H H 1 8.6 0.02 . 1 . . . . . . . . 4033 1 217 . 1 1 36 36 GLN HA H 1 3.9 0.02 . 1 . . . . . . . . 4033 1 218 . 1 1 36 36 GLN HB2 H 1 2.03 0.02 . 1 . . . . . . . . 4033 1 219 . 1 1 36 36 GLN HB3 H 1 2.03 0.02 . 1 . . . . . . . . 4033 1 220 . 1 1 37 37 GLY N N 15 103.1 0.04 . 1 . . . . . . . . 4033 1 221 . 1 1 37 37 GLY H H 1 7.58 0.02 . 1 . . . . . . . . 4033 1 222 . 1 1 37 37 GLY HA2 H 1 4.2 0.02 . 2 . . . . . . . . 4033 1 223 . 1 1 37 37 GLY HA3 H 1 3.37 0.02 . 2 . . . . . . . . 4033 1 224 . 1 1 38 38 ASN N N 15 119.2 0.04 . 1 . . . . . . . . 4033 1 225 . 1 1 38 38 ASN H H 1 7.63 0.02 . 1 . . . . . . . . 4033 1 226 . 1 1 38 38 ASN HA H 1 4.19 0.02 . 1 . . . . . . . . 4033 1 227 . 1 1 38 38 ASN HB2 H 1 2.94 0.02 . 2 . . . . . . . . 4033 1 228 . 1 1 38 38 ASN HB3 H 1 2.57 0.02 . 2 . . . . . . . . 4033 1 229 . 1 1 39 39 ILE N N 15 118.2 0.04 . 1 . . . . . . . . 4033 1 230 . 1 1 39 39 ILE H H 1 7.62 0.02 . 1 . . . . . . . . 4033 1 231 . 1 1 39 39 ILE HA H 1 3.55 0.02 . 1 . . . . . . . . 4033 1 232 . 1 1 39 39 ILE HB H 1 1.23 0.02 . 1 . . . . . . . . 4033 1 233 . 1 1 39 39 ILE HG21 H 1 0.24 0.02 . 1 . . . . . . . . 4033 1 234 . 1 1 39 39 ILE HG22 H 1 0.24 0.02 . 1 . . . . . . . . 4033 1 235 . 1 1 39 39 ILE HG23 H 1 0.24 0.02 . 1 . . . . . . . . 4033 1 236 . 1 1 40 40 GLU N N 15 125.8 0.04 . 1 . . . . . . . . 4033 1 237 . 1 1 40 40 GLU H H 1 7.96 0.02 . 1 . . . . . . . . 4033 1 238 . 1 1 40 40 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . 4033 1 239 . 1 1 40 40 GLU HB2 H 1 1.8 0.02 . 2 . . . . . . . . 4033 1 240 . 1 1 40 40 GLU HB3 H 1 1.67 0.02 . 2 . . . . . . . . 4033 1 241 . 1 1 40 40 GLU HG2 H 1 2.06 0.02 . 2 . . . . . . . . 4033 1 242 . 1 1 40 40 GLU HG3 H 1 1.96 0.02 . 2 . . . . . . . . 4033 1 243 . 1 1 41 41 TYR N N 15 122.8 0.04 . 1 . . . . . . . . 4033 1 244 . 1 1 41 41 TYR H H 1 8.42 0.02 . 1 . . . . . . . . 4033 1 245 . 1 1 41 41 TYR HA H 1 4.97 0.02 . 1 . . . . . . . . 4033 1 246 . 1 1 41 41 TYR HB2 H 1 3.23 0.02 . 2 . . . . . . . . 4033 1 247 . 1 1 41 41 TYR HB3 H 1 2.46 0.02 . 2 . . . . . . . . 4033 1 248 . 1 1 41 41 TYR HD1 H 1 6.97 0.02 . 1 . . . . . . . . 4033 1 249 . 1 1 41 41 TYR HD2 H 1 6.97 0.02 . 1 . . . . . . . . 4033 1 250 . 1 1 41 41 TYR HE1 H 1 6.54 0.02 . 1 . . . . . . . . 4033 1 251 . 1 1 41 41 TYR HE2 H 1 6.54 0.02 . 1 . . . . . . . . 4033 1 252 . 1 1 42 42 SER N N 15 115.3 0.04 . 1 . . . . . . . . 4033 1 253 . 1 1 42 42 SER H H 1 8.79 0.02 . 1 . . . . . . . . 4033 1 254 . 1 1 42 42 SER HA H 1 4.4 0.02 . 1 . . . . . . . . 4033 1 255 . 1 1 42 42 SER HB2 H 1 3.72 0.02 . 2 . . . . . . . . 4033 1 256 . 1 1 42 42 SER HB3 H 1 3.67 0.02 . 2 . . . . . . . . 4033 1 257 . 1 1 43 43 CYS N N 15 125.7 0.04 . 1 . . . . . . . . 4033 1 258 . 1 1 43 43 CYS H H 1 8.13 0.02 . 1 . . . . . . . . 4033 1 259 . 1 1 43 43 CYS HA H 1 4.3 0.02 . 1 . . . . . . . . 4033 1 260 . 1 1 43 43 CYS HB2 H 1 3.08 0.02 . 2 . . . . . . . . 4033 1 261 . 1 1 43 43 CYS HB3 H 1 2.67 0.02 . 2 . . . . . . . . 4033 1 262 . 1 1 45 45 ALA N N 15 132.9 0.04 . 1 . . . . . . . . 4033 1 263 . 1 1 45 45 ALA H H 1 9.54 0.02 . 1 . . . . . . . . 4033 1 264 . 1 1 45 45 ALA HA H 1 4.77 0.02 . 1 . . . . . . . . 4033 1 265 . 1 1 45 45 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 4033 1 266 . 1 1 45 45 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 4033 1 267 . 1 1 45 45 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 4033 1 268 . 1 1 46 46 THR N N 15 115.4 0.04 . 1 . . . . . . . . 4033 1 269 . 1 1 46 46 THR H H 1 8.76 0.02 . 1 . . . . . . . . 4033 1 270 . 1 1 46 46 THR HA H 1 4.62 0.02 . 1 . . . . . . . . 4033 1 271 . 1 1 46 46 THR HB H 1 4.62 0.02 . 1 . . . . . . . . 4033 1 272 . 1 1 46 46 THR HG21 H 1 1.05 0.02 . 1 . . . . . . . . 4033 1 273 . 1 1 46 46 THR HG22 H 1 1.05 0.02 . 1 . . . . . . . . 4033 1 274 . 1 1 46 46 THR HG23 H 1 1.05 0.02 . 1 . . . . . . . . 4033 1 275 . 1 1 47 47 ASN N N 15 118.8 0.04 . 1 . . . . . . . . 4033 1 276 . 1 1 47 47 ASN H H 1 9.26 0.02 . 1 . . . . . . . . 4033 1 277 . 1 1 47 47 ASN HA H 1 4.47 0.02 . 1 . . . . . . . . 4033 1 278 . 1 1 47 47 ASN HB2 H 1 3.12 0.02 . 2 . . . . . . . . 4033 1 279 . 1 1 47 47 ASN HB3 H 1 3.00 0.02 . 2 . . . . . . . . 4033 1 280 . 1 1 48 48 GLU N N 15 120.1 0.04 . 1 . . . . . . . . 4033 1 281 . 1 1 48 48 GLU H H 1 8.87 0.02 . 1 . . . . . . . . 4033 1 282 . 1 1 48 48 GLU HA H 1 4.7 0.02 . 1 . . . . . . . . 4033 1 283 . 1 1 48 48 GLU HB2 H 1 1.66 0.02 . 1 . . . . . . . . 4033 1 284 . 1 1 48 48 GLU HB3 H 1 1.66 0.02 . 1 . . . . . . . . 4033 1 285 . 1 1 48 48 GLU HG2 H 1 2.27 0.02 . 2 . . . . . . . . 4033 1 286 . 1 1 48 48 GLU HG3 H 1 2.12 0.02 . 2 . . . . . . . . 4033 1 287 . 1 1 49 49 CYS N N 15 126.3 0.04 . 1 . . . . . . . . 4033 1 288 . 1 1 49 49 CYS H H 1 8.94 0.02 . 1 . . . . . . . . 4033 1 289 . 1 1 49 49 CYS HA H 1 3.87 0.02 . 1 . . . . . . . . 4033 1 290 . 1 1 49 49 CYS HB2 H 1 3.02 0.02 . 2 . . . . . . . . 4033 1 291 . 1 1 49 49 CYS HB3 H 1 2.62 0.02 . 2 . . . . . . . . 4033 1 292 . 1 1 50 50 GLU N N 15 122.1 0.04 . 1 . . . . . . . . 4033 1 293 . 1 1 50 50 GLU H H 1 8.28 0.02 . 1 . . . . . . . . 4033 1 294 . 1 1 50 50 GLU HA H 1 4.16 0.02 . 1 . . . . . . . . 4033 1 295 . 1 1 50 50 GLU HB2 H 1 1.91 0.02 . 1 . . . . . . . . 4033 1 296 . 1 1 50 50 GLU HB3 H 1 1.91 0.02 . 1 . . . . . . . . 4033 1 297 . 1 1 51 51 ILE N N 15 126.8 0.04 . 1 . . . . . . . . 4033 1 298 . 1 1 51 51 ILE H H 1 8.59 0.02 . 1 . . . . . . . . 4033 1 299 . 1 1 51 51 ILE HA H 1 4.22 0.02 . 1 . . . . . . . . 4033 1 300 . 1 1 51 51 ILE HB H 1 2.07 0.02 . 1 . . . . . . . . 4033 1 301 . 1 1 51 51 ILE HG12 H 1 1.55 0.02 . 2 . . . . . . . . 4033 1 302 . 1 1 51 51 ILE HG13 H 1 0.97 0.02 . 2 . . . . . . . . 4033 1 303 . 1 1 51 51 ILE HG21 H 1 0.65 0.02 . 1 . . . . . . . . 4033 1 304 . 1 1 51 51 ILE HG22 H 1 0.65 0.02 . 1 . . . . . . . . 4033 1 305 . 1 1 51 51 ILE HG23 H 1 0.65 0.02 . 1 . . . . . . . . 4033 1 306 . 1 1 51 51 ILE HD11 H 1 0.56 0.02 . 1 . . . . . . . . 4033 1 307 . 1 1 51 51 ILE HD12 H 1 0.56 0.02 . 1 . . . . . . . . 4033 1 308 . 1 1 51 51 ILE HD13 H 1 0.56 0.02 . 1 . . . . . . . . 4033 1 309 . 1 1 52 52 THR N N 15 116.3 0.04 . 1 . . . . . . . . 4033 1 310 . 1 1 52 52 THR H H 1 7.62 0.02 . 1 . . . . . . . . 4033 1 311 . 1 1 52 52 THR HA H 1 4.82 0.02 . 1 . . . . . . . . 4033 1 312 . 1 1 52 52 THR HB H 1 4.34 0.02 . 1 . . . . . . . . 4033 1 313 . 1 1 52 52 THR HG21 H 1 1.08 0.02 . 1 . . . . . . . . 4033 1 314 . 1 1 52 52 THR HG22 H 1 1.08 0.02 . 1 . . . . . . . . 4033 1 315 . 1 1 52 52 THR HG23 H 1 1.08 0.02 . 1 . . . . . . . . 4033 1 316 . 1 1 60 60 GLN N N 15 129.9 0.04 . 1 . . . . . . . . 4033 1 317 . 1 1 60 60 GLN H H 1 8.67 0.02 . 1 . . . . . . . . 4033 1 318 . 1 1 60 60 GLN HA H 1 3.67 0.02 . 1 . . . . . . . . 4033 1 319 . 1 1 60 60 GLN HB2 H 1 1.42 0.02 . 1 . . . . . . . . 4033 1 320 . 1 1 60 60 GLN HB3 H 1 1.42 0.02 . 1 . . . . . . . . 4033 1 321 . 1 1 61 61 ALA N N 15 122.9 0.04 . 1 . . . . . . . . 4033 1 322 . 1 1 61 61 ALA H H 1 8.25 0.02 . 1 . . . . . . . . 4033 1 323 . 1 1 61 61 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 4033 1 324 . 1 1 61 61 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 4033 1 325 . 1 1 61 61 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 4033 1 326 . 1 1 61 61 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 4033 1 327 . 1 1 62 62 CYS N N 15 122.7 0.04 . 1 . . . . . . . . 4033 1 328 . 1 1 62 62 CYS H H 1 9.6 0.02 . 1 . . . . . . . . 4033 1 329 . 1 1 62 62 CYS HA H 1 4.11 0.02 . 1 . . . . . . . . 4033 1 330 . 1 1 62 62 CYS HB2 H 1 3.05 0.02 . 2 . . . . . . . . 4033 1 331 . 1 1 62 62 CYS HB3 H 1 2.62 0.02 . 2 . . . . . . . . 4033 1 332 . 1 1 63 63 ARG N N 15 123.6 0.04 . 1 . . . . . . . . 4033 1 333 . 1 1 63 63 ARG H H 1 8.51 0.02 . 1 . . . . . . . . 4033 1 334 . 1 1 63 63 ARG HA H 1 3.8 0.02 . 1 . . . . . . . . 4033 1 335 . 1 1 63 63 ARG HB2 H 1 1.65 0.02 . 2 . . . . . . . . 4033 1 336 . 1 1 63 63 ARG HB3 H 1 1.63 0.02 . 2 . . . . . . . . 4033 1 337 . 1 1 64 64 PHE N N 15 121.00 0.04 . 1 . . . . . . . . 4033 1 338 . 1 1 64 64 PHE H H 1 8.94 0.02 . 1 . . . . . . . . 4033 1 339 . 1 1 64 64 PHE HA H 1 4.76 0.02 . 1 . . . . . . . . 4033 1 340 . 1 1 64 64 PHE HB2 H 1 3.73 0.02 . 2 . . . . . . . . 4033 1 341 . 1 1 64 64 PHE HB3 H 1 3.68 0.02 . 2 . . . . . . . . 4033 1 342 . 1 1 64 64 PHE HD1 H 1 7.39 0.02 . 1 . . . . . . . . 4033 1 343 . 1 1 64 64 PHE HD2 H 1 7.39 0.02 . 1 . . . . . . . . 4033 1 344 . 1 1 64 64 PHE HE1 H 1 7.23 0.02 . 1 . . . . . . . . 4033 1 345 . 1 1 64 64 PHE HE2 H 1 7.23 0.02 . 1 . . . . . . . . 4033 1 346 . 1 1 64 64 PHE HZ H 1 7.07 0.02 . 1 . . . . . . . . 4033 1 347 . 1 1 65 65 MET N N 15 116.6 0.04 . 1 . . . . . . . . 4033 1 348 . 1 1 65 65 MET H H 1 8.45 0.02 . 1 . . . . . . . . 4033 1 349 . 1 1 65 65 MET HA H 1 4.23 0.02 . 1 . . . . . . . . 4033 1 350 . 1 1 65 65 MET HB2 H 1 2.29 0.02 . 2 . . . . . . . . 4033 1 351 . 1 1 65 65 MET HB3 H 1 2.16 0.02 . 2 . . . . . . . . 4033 1 352 . 1 1 65 65 MET HG2 H 1 2.86 0.02 . 1 . . . . . . . . 4033 1 353 . 1 1 65 65 MET HG3 H 1 2.86 0.02 . 1 . . . . . . . . 4033 1 354 . 1 1 66 66 LYS N N 15 121.7 0.04 . 1 . . . . . . . . 4033 1 355 . 1 1 66 66 LYS H H 1 8.28 0.02 . 1 . . . . . . . . 4033 1 356 . 1 1 66 66 LYS HA H 1 4.37 0.02 . 1 . . . . . . . . 4033 1 357 . 1 1 66 66 LYS HB2 H 1 2.23 0.02 . 1 . . . . . . . . 4033 1 358 . 1 1 66 66 LYS HB3 H 1 2.23 0.02 . 1 . . . . . . . . 4033 1 359 . 1 1 67 67 CYS N N 15 117.1 0.04 . 1 . . . . . . . . 4033 1 360 . 1 1 67 67 CYS H H 1 8.3 0.02 . 1 . . . . . . . . 4033 1 361 . 1 1 67 67 CYS HA H 1 3.85 0.02 . 1 . . . . . . . . 4033 1 362 . 1 1 67 67 CYS HB2 H 1 3.72 0.02 . 2 . . . . . . . . 4033 1 363 . 1 1 67 67 CYS HB3 H 1 2.74 0.02 . 2 . . . . . . . . 4033 1 364 . 1 1 68 68 LEU N N 15 116.3 0.04 . 1 . . . . . . . . 4033 1 365 . 1 1 68 68 LEU H H 1 7.47 0.02 . 1 . . . . . . . . 4033 1 366 . 1 1 68 68 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 4033 1 367 . 1 1 68 68 LEU HB2 H 1 1.91 0.02 . 1 . . . . . . . . 4033 1 368 . 1 1 68 68 LEU HB3 H 1 1.91 0.02 . 1 . . . . . . . . 4033 1 369 . 1 1 68 68 LEU HG H 1 1.36 0.02 . 1 . . . . . . . . 4033 1 370 . 1 1 68 68 LEU HD11 H 1 0.9 0.02 . 2 . . . . . . . . 4033 1 371 . 1 1 68 68 LEU HD12 H 1 0.9 0.02 . 2 . . . . . . . . 4033 1 372 . 1 1 68 68 LEU HD13 H 1 0.9 0.02 . 2 . . . . . . . . 4033 1 373 . 1 1 68 68 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 4033 1 374 . 1 1 68 68 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 4033 1 375 . 1 1 68 68 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 4033 1 376 . 1 1 69 69 LYS N N 15 123.5 0.04 . 1 . . . . . . . . 4033 1 377 . 1 1 69 69 LYS H H 1 8.68 0.02 . 1 . . . . . . . . 4033 1 378 . 1 1 69 69 LYS HA H 1 4.00 0.02 . 1 . . . . . . . . 4033 1 379 . 1 1 69 69 LYS HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4033 1 380 . 1 1 69 69 LYS HB3 H 1 2.00 0.02 . 2 . . . . . . . . 4033 1 381 . 1 1 70 70 VAL N N 15 109.9 0.04 . 1 . . . . . . . . 4033 1 382 . 1 1 70 70 VAL H H 1 8.27 0.02 . 1 . . . . . . . . 4033 1 383 . 1 1 70 70 VAL HA H 1 4.25 0.02 . 1 . . . . . . . . 4033 1 384 . 1 1 70 70 VAL HB H 1 2.48 0.02 . 1 . . . . . . . . 4033 1 385 . 1 1 70 70 VAL HG11 H 1 1.02 0.02 . 2 . . . . . . . . 4033 1 386 . 1 1 70 70 VAL HG12 H 1 1.02 0.02 . 2 . . . . . . . . 4033 1 387 . 1 1 70 70 VAL HG13 H 1 1.02 0.02 . 2 . . . . . . . . 4033 1 388 . 1 1 70 70 VAL HG21 H 1 1.01 0.02 . 2 . . . . . . . . 4033 1 389 . 1 1 70 70 VAL HG22 H 1 1.01 0.02 . 2 . . . . . . . . 4033 1 390 . 1 1 70 70 VAL HG23 H 1 1.01 0.02 . 2 . . . . . . . . 4033 1 391 . 1 1 71 71 GLY N N 15 105.3 0.04 . 1 . . . . . . . . 4033 1 392 . 1 1 71 71 GLY H H 1 7.31 0.02 . 1 . . . . . . . . 4033 1 393 . 1 1 71 71 GLY HA2 H 1 4.33 0.02 . 2 . . . . . . . . 4033 1 394 . 1 1 71 71 GLY HA3 H 1 3.6 0.02 . 2 . . . . . . . . 4033 1 395 . 1 1 72 72 MET N N 15 119.6 0.04 . 1 . . . . . . . . 4033 1 396 . 1 1 72 72 MET H H 1 7.94 0.02 . 1 . . . . . . . . 4033 1 397 . 1 1 72 72 MET HA H 1 4.26 0.02 . 1 . . . . . . . . 4033 1 398 . 1 1 72 72 MET HB2 H 1 0.86 0.02 . 1 . . . . . . . . 4033 1 399 . 1 1 72 72 MET HB3 H 1 0.86 0.02 . 1 . . . . . . . . 4033 1 400 . 1 1 73 73 LEU N N 15 123.3 0.04 . 1 . . . . . . . . 4033 1 401 . 1 1 73 73 LEU H H 1 8.44 0.02 . 1 . . . . . . . . 4033 1 402 . 1 1 73 73 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 4033 1 403 . 1 1 73 73 LEU HB2 H 1 1.9 0.02 . 1 . . . . . . . . 4033 1 404 . 1 1 73 73 LEU HB3 H 1 1.9 0.02 . 1 . . . . . . . . 4033 1 405 . 1 1 74 74 LYS N N 15 125.8 0.04 . 1 . . . . . . . . 4033 1 406 . 1 1 74 74 LYS H H 1 8.84 0.02 . 1 . . . . . . . . 4033 1 407 . 1 1 74 74 LYS HA H 1 4.07 0.02 . 1 . . . . . . . . 4033 1 408 . 1 1 74 74 LYS HB2 H 1 1.82 0.02 . 2 . . . . . . . . 4033 1 409 . 1 1 74 74 LYS HB3 H 1 1.77 0.02 . 2 . . . . . . . . 4033 1 410 . 1 1 75 75 GLU N N 15 119.1 0.04 . 1 . . . . . . . . 4033 1 411 . 1 1 75 75 GLU H H 1 9.1 0.02 . 1 . . . . . . . . 4033 1 412 . 1 1 75 75 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 4033 1 413 . 1 1 75 75 GLU HB2 H 1 2.04 0.02 . 1 . . . . . . . . 4033 1 414 . 1 1 75 75 GLU HB3 H 1 2.04 0.02 . 1 . . . . . . . . 4033 1 415 . 1 1 76 76 GLY N N 15 107.5 0.04 . 1 . . . . . . . . 4033 1 416 . 1 1 76 76 GLY H H 1 8.11 0.02 . 1 . . . . . . . . 4033 1 417 . 1 1 76 76 GLY HA2 H 1 4.07 0.02 . 2 . . . . . . . . 4033 1 418 . 1 1 76 76 GLY HA3 H 1 3.93 0.02 . 2 . . . . . . . . 4033 1 419 . 1 1 77 77 VAL N N 15 120.4 0.04 . 1 . . . . . . . . 4033 1 420 . 1 1 77 77 VAL H H 1 7.43 0.02 . 1 . . . . . . . . 4033 1 421 . 1 1 77 77 VAL HA H 1 3.93 0.02 . 1 . . . . . . . . 4033 1 422 . 1 1 77 77 VAL HB H 1 2.01 0.02 . 1 . . . . . . . . 4033 1 423 . 1 1 77 77 VAL HG11 H 1 0.87 0.02 . 2 . . . . . . . . 4033 1 424 . 1 1 77 77 VAL HG12 H 1 0.87 0.02 . 2 . . . . . . . . 4033 1 425 . 1 1 77 77 VAL HG13 H 1 0.87 0.02 . 2 . . . . . . . . 4033 1 426 . 1 1 77 77 VAL HG21 H 1 0.57 0.02 . 2 . . . . . . . . 4033 1 427 . 1 1 77 77 VAL HG22 H 1 0.57 0.02 . 2 . . . . . . . . 4033 1 428 . 1 1 77 77 VAL HG23 H 1 0.57 0.02 . 2 . . . . . . . . 4033 1 429 . 1 1 78 78 ARG N N 15 124.5 0.04 . 1 . . . . . . . . 4033 1 430 . 1 1 78 78 ARG H H 1 8.11 0.02 . 1 . . . . . . . . 4033 1 431 . 1 1 78 78 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 4033 1 432 . 1 1 78 78 ARG HB2 H 1 1.82 0.02 . 1 . . . . . . . . 4033 1 433 . 1 1 78 78 ARG HB3 H 1 1.82 0.02 . 1 . . . . . . . . 4033 1 434 . 1 1 82 82 VAL N N 15 120.8 0.04 . 1 . . . . . . . . 4033 1 435 . 1 1 82 82 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 4033 1 436 . 1 1 82 82 VAL HA H 1 4.07 0.02 . 1 . . . . . . . . 4033 1 437 . 1 1 82 82 VAL HB H 1 2.08 0.02 . 1 . . . . . . . . 4033 1 438 . 1 1 82 82 VAL HG11 H 1 0.94 0.02 . 2 . . . . . . . . 4033 1 439 . 1 1 82 82 VAL HG12 H 1 0.94 0.02 . 2 . . . . . . . . 4033 1 440 . 1 1 82 82 VAL HG13 H 1 0.94 0.02 . 2 . . . . . . . . 4033 1 441 . 1 1 82 82 VAL HG21 H 1 0.91 0.02 . 2 . . . . . . . . 4033 1 442 . 1 1 82 82 VAL HG22 H 1 0.91 0.02 . 2 . . . . . . . . 4033 1 443 . 1 1 82 82 VAL HG23 H 1 0.91 0.02 . 2 . . . . . . . . 4033 1 444 . 1 1 89 89 TYR N N 15 120.8 0.04 . 1 . . . . . . . . 4033 1 445 . 1 1 89 89 TYR H H 1 8.09 0.02 . 1 . . . . . . . . 4033 1 446 . 1 1 89 89 TYR HA H 1 4.57 0.02 . 1 . . . . . . . . 4033 1 447 . 1 1 89 89 TYR HB2 H 1 3.02 0.02 . 2 . . . . . . . . 4033 1 448 . 1 1 89 89 TYR HB3 H 1 2.92 0.02 . 2 . . . . . . . . 4033 1 449 . 1 1 89 89 TYR HD1 H 1 7.1 0.02 . 1 . . . . . . . . 4033 1 450 . 1 1 89 89 TYR HD2 H 1 7.1 0.02 . 1 . . . . . . . . 4033 1 451 . 1 1 89 89 TYR HE1 H 1 6.8 0.02 . 1 . . . . . . . . 4033 1 452 . 1 1 89 89 TYR HE2 H 1 6.8 0.02 . 1 . . . . . . . . 4033 1 453 . 1 1 94 94 ASP N N 15 120.8 0.04 . 1 . . . . . . . . 4033 1 454 . 1 1 94 94 ASP H H 1 8.38 0.02 . 1 . . . . . . . . 4033 1 455 . 1 1 94 94 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 4033 1 456 . 1 1 94 94 ASP HB2 H 1 2.68 0.02 . 1 . . . . . . . . 4033 1 457 . 1 1 94 94 ASP HB3 H 1 2.68 0.02 . 1 . . . . . . . . 4033 1 458 . 1 1 95 95 SER N N 15 114.7 0.04 . 1 . . . . . . . . 4033 1 459 . 1 1 95 95 SER H H 1 8.05 0.02 . 1 . . . . . . . . 4033 1 460 . 1 1 95 95 SER HA H 1 4.4 0.02 . 1 . . . . . . . . 4033 1 461 . 1 1 95 95 SER HB2 H 1 3.92 0.02 . 2 . . . . . . . . 4033 1 462 . 1 1 95 95 SER HB3 H 1 3.82 0.02 . 2 . . . . . . . . 4033 1 463 . 1 1 97 97 ASN N N 15 119.6 0.04 . 1 . . . . . . . . 4033 1 464 . 1 1 97 97 ASN H H 1 8.33 0.02 . 1 . . . . . . . . 4033 1 465 . 1 1 97 97 ASN HA H 1 4.8 0.02 . 1 . . . . . . . . 4033 1 466 . 1 1 97 97 ASN HB2 H 1 2.85 0.02 . 2 . . . . . . . . 4033 1 467 . 1 1 97 97 ASN HB3 H 1 2.72 0.02 . 2 . . . . . . . . 4033 1 stop_ save_