data_4034 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4034 _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 ; Cys163Ala mutant of the 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 . . . 4034 2 Danilo Casimiro . . . 4034 3 Steven Kliewer . . . 4034 4 Joan Provencal . . . 4034 5 Ronald Evans . . . 4034 6 Peter Wright . . . 4034 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4034 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 96 4034 '15N chemical shifts' 93 4034 '1H chemical shifts' 484 4034 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 . . 2001-02-17 . reformat BMRB 'Format updated to NMR-STAR version 2.1' 4034 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4034 _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 . . . 4034 1 2 Danilo Casimiro . . . 4034 1 3 Steven Kliewer . . . 4034 1 4 Joan Provencal . . . 4034 1 5 Ronald Evans . . . 4034 1 6 Peter Wright . . . 4034 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA Binding' 4034 1 ERR 4034 1 ERR2 4034 1 'Nuclear Hormone' 4034 1 'Nuclear hormone receptor' 4034 1 'Secondary structure' 4034 1 'Zinc Finger' 4034 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ERR2_C163A _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ERR2_C163A _Assembly.Entry_ID 4034 _Assembly.ID 1 _Assembly.Name 'ERR2 DNA binding domain with a C163A mutation' _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 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4034 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 C163A' 1 $ERR2_C163A . . . native . . . . . 4034 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ERR2 C163A' abbreviation 4034 1 'ERR2 DNA binding domain with a C163A mutation' system 4034 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA binding domain' 4034 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ERR2_C163A _Entity.Sf_category entity _Entity.Sf_framecode ERR2_C163A _Entity.Entry_ID 4034 _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 ACRFMKALKVGMLKEGVRLD 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 'not reported' _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 with C163A mutation ; _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 4033 . "Estrogen Related Receptor" . . . . . 100.00 98 98.98 98.98 1.26e-62 . . . . 4034 1 2 no PDB 1LO1 . "Estrogen Related Receptor 2 Dna Binding Domain In Complex With Dna" . . . . . 98.98 98 100.00 100.00 5.20e-63 . . . . 4034 1 3 no DBJ BAC27656 . "unnamed protein product [Mus musculus]" . . . . . 100.00 433 97.96 98.98 1.57e-60 . . . . 4034 1 4 no DBJ BAC34898 . "unnamed protein product [Mus musculus]" . . . . . 100.00 433 97.96 98.98 1.33e-60 . . . . 4034 1 5 no DBJ BAG73125 . "estrogen-related receptor beta [synthetic construct]" . . . . . 100.00 500 97.96 98.98 3.87e-62 . . . . 4034 1 6 no DBJ BAH02305 . "estrogen-related receptor beta [Homo sapiens]" . . . . . 100.00 433 97.96 98.98 1.77e-60 . . . . 4034 1 7 no EMBL CAA35779 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 433 98.98 98.98 3.11e-61 . . . . 4034 1 8 no EMBL CAA61755 . "estrogen receptor related receptor cDNA-2 [Mus musculus]" . . . . . 100.00 433 97.96 98.98 1.31e-60 . . . . 4034 1 9 no EMBL CAG09135 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 98.98 434 98.97 98.97 1.17e-60 . . . . 4034 1 10 no EMBL CDQ87849 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 77.55 173 97.37 98.68 1.42e-45 . . . . 4034 1 11 no GB AAB37687 . "mERR-2 [Mus sp.]" . . . . . 100.00 433 97.96 98.98 1.31e-60 . . . . 4034 1 12 no GB AAC99409 . "nuclear receptor ERRB2 [Homo sapiens]" . . . . . 100.00 500 97.96 98.98 3.87e-62 . . . . 4034 1 13 no GB AAG29619 . "hERRB2 [Homo sapiens]" . . . . . 100.00 262 97.96 98.98 3.24e-61 . . . . 4034 1 14 no GB AAH44858 . "Esrrb protein, partial [Mus musculus]" . . . . . 100.00 434 97.96 98.98 1.54e-60 . . . . 4034 1 15 no GB AAI11278 . "ESRRB protein [Bos taurus]" . . . . . 100.00 478 97.96 98.98 2.44e-59 . . . . 4034 1 16 no PIR B29345 . "steroid hormone receptor ERR2 precursor - human" . . . . . 100.00 433 98.98 98.98 3.11e-61 . . . . 4034 1 17 no PRF 1402310B . "cryptic steroid hormone receptor 2" . . . . . 100.00 433 98.98 98.98 3.11e-61 . . . . 4034 1 18 no REF NP_001008516 . "steroid hormone receptor ERR2 [Rattus norvegicus]" . . . . . 100.00 433 98.98 98.98 3.11e-61 . . . . 4034 1 19 no REF NP_001152972 . "steroid hormone receptor ERR2 isoform 2 [Mus musculus]" . . . . . 100.00 438 97.96 98.98 1.22e-60 . . . . 4034 1 20 no REF NP_001156563 . "estrogen-related receptor beta type 2 [Oryzias latipes]" . . . . . 98.98 431 98.97 98.97 7.05e-61 . . . . 4034 1 21 no REF NP_001296931 . "steroid hormone receptor ERR2-like [Fundulus heteroclitus]" . . . . . 98.98 435 97.94 98.97 3.89e-60 . . . . 4034 1 22 no REF NP_004443 . "steroid hormone receptor ERR2 [Homo sapiens]" . . . . . 100.00 508 97.96 98.98 8.11e-61 . . . . 4034 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 97.96 98.98 8.11e-61 . . . . 4034 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 98.98 98.98 3.11e-61 . . . . 4034 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 97.96 98.98 1.33e-60 . . . . 4034 1 26 no TPG DAA24995 . "TPA: estrogen-related receptor beta [Bos taurus]" . . . . . 100.00 505 97.96 98.98 3.49e-59 . . . . 4034 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ERR2_C163A variant 4034 1 ERRm abbreviation 4034 1 'Estrogen Related Receptor' common 4034 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 . 4034 1 2 98 ILE . 4034 1 3 99 PRO . 4034 1 4 100 LYS . 4034 1 5 101 ARG . 4034 1 6 102 LEU . 4034 1 7 103 CYS . 4034 1 8 104 LEU . 4034 1 9 105 VAL . 4034 1 10 106 CYS . 4034 1 11 107 GLY . 4034 1 12 108 ASP . 4034 1 13 109 ILE . 4034 1 14 110 ALA . 4034 1 15 111 SER . 4034 1 16 112 GLY . 4034 1 17 113 TYR . 4034 1 18 114 HIS . 4034 1 19 115 TYR . 4034 1 20 116 GLY . 4034 1 21 117 VAL . 4034 1 22 118 ALA . 4034 1 23 119 SER . 4034 1 24 120 CYS . 4034 1 25 121 GLU . 4034 1 26 122 ALA . 4034 1 27 123 CYS . 4034 1 28 124 LYS . 4034 1 29 125 ALA . 4034 1 30 126 PHE . 4034 1 31 127 PHE . 4034 1 32 128 LYS . 4034 1 33 129 ARG . 4034 1 34 130 THR . 4034 1 35 131 ILE . 4034 1 36 132 GLN . 4034 1 37 133 GLY . 4034 1 38 134 ASN . 4034 1 39 135 ILE . 4034 1 40 136 GLU . 4034 1 41 137 TYR . 4034 1 42 138 SER . 4034 1 43 139 CYS . 4034 1 44 140 PRO . 4034 1 45 141 ALA . 4034 1 46 142 THR . 4034 1 47 143 ASN . 4034 1 48 144 GLU . 4034 1 49 145 CYS . 4034 1 50 146 GLU . 4034 1 51 147 ILE . 4034 1 52 148 THR . 4034 1 53 149 LYS . 4034 1 54 150 ARG . 4034 1 55 151 ARG . 4034 1 56 152 ARG . 4034 1 57 153 LYS . 4034 1 58 154 SER . 4034 1 59 155 CYS . 4034 1 60 156 GLN . 4034 1 61 157 ALA . 4034 1 62 158 CYS . 4034 1 63 159 ARG . 4034 1 64 160 PHE . 4034 1 65 161 MET . 4034 1 66 162 LYS . 4034 1 67 163 ALA . 4034 1 68 164 LEU . 4034 1 69 165 LYS . 4034 1 70 166 VAL . 4034 1 71 167 GLY . 4034 1 72 168 MET . 4034 1 73 169 LEU . 4034 1 74 170 LYS . 4034 1 75 171 GLU . 4034 1 76 172 GLY . 4034 1 77 173 VAL . 4034 1 78 174 ARG . 4034 1 79 175 LEU . 4034 1 80 176 ASP . 4034 1 81 177 ARG . 4034 1 82 178 VAL . 4034 1 83 179 ARG . 4034 1 84 180 GLY . 4034 1 85 181 GLY . 4034 1 86 182 ARG . 4034 1 87 183 GLN . 4034 1 88 184 LYS . 4034 1 89 185 TYR . 4034 1 90 186 LYS . 4034 1 91 187 ARG . 4034 1 92 188 ARG . 4034 1 93 189 LEU . 4034 1 94 190 ASP . 4034 1 95 191 SER . 4034 1 96 192 GLU . 4034 1 97 193 ASN . 4034 1 98 194 SER . 4034 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 4034 1 . ILE 2 2 4034 1 . PRO 3 3 4034 1 . LYS 4 4 4034 1 . ARG 5 5 4034 1 . LEU 6 6 4034 1 . CYS 7 7 4034 1 . LEU 8 8 4034 1 . VAL 9 9 4034 1 . CYS 10 10 4034 1 . GLY 11 11 4034 1 . ASP 12 12 4034 1 . ILE 13 13 4034 1 . ALA 14 14 4034 1 . SER 15 15 4034 1 . GLY 16 16 4034 1 . TYR 17 17 4034 1 . HIS 18 18 4034 1 . TYR 19 19 4034 1 . GLY 20 20 4034 1 . VAL 21 21 4034 1 . ALA 22 22 4034 1 . SER 23 23 4034 1 . CYS 24 24 4034 1 . GLU 25 25 4034 1 . ALA 26 26 4034 1 . CYS 27 27 4034 1 . LYS 28 28 4034 1 . ALA 29 29 4034 1 . PHE 30 30 4034 1 . PHE 31 31 4034 1 . LYS 32 32 4034 1 . ARG 33 33 4034 1 . THR 34 34 4034 1 . ILE 35 35 4034 1 . GLN 36 36 4034 1 . GLY 37 37 4034 1 . ASN 38 38 4034 1 . ILE 39 39 4034 1 . GLU 40 40 4034 1 . TYR 41 41 4034 1 . SER 42 42 4034 1 . CYS 43 43 4034 1 . PRO 44 44 4034 1 . ALA 45 45 4034 1 . THR 46 46 4034 1 . ASN 47 47 4034 1 . GLU 48 48 4034 1 . CYS 49 49 4034 1 . GLU 50 50 4034 1 . ILE 51 51 4034 1 . THR 52 52 4034 1 . LYS 53 53 4034 1 . ARG 54 54 4034 1 . ARG 55 55 4034 1 . ARG 56 56 4034 1 . LYS 57 57 4034 1 . SER 58 58 4034 1 . CYS 59 59 4034 1 . GLN 60 60 4034 1 . ALA 61 61 4034 1 . CYS 62 62 4034 1 . ARG 63 63 4034 1 . PHE 64 64 4034 1 . MET 65 65 4034 1 . LYS 66 66 4034 1 . ALA 67 67 4034 1 . LEU 68 68 4034 1 . LYS 69 69 4034 1 . VAL 70 70 4034 1 . GLY 71 71 4034 1 . MET 72 72 4034 1 . LEU 73 73 4034 1 . LYS 74 74 4034 1 . GLU 75 75 4034 1 . GLY 76 76 4034 1 . VAL 77 77 4034 1 . ARG 78 78 4034 1 . LEU 79 79 4034 1 . ASP 80 80 4034 1 . ARG 81 81 4034 1 . VAL 82 82 4034 1 . ARG 83 83 4034 1 . GLY 84 84 4034 1 . GLY 85 85 4034 1 . ARG 86 86 4034 1 . GLN 87 87 4034 1 . LYS 88 88 4034 1 . TYR 89 89 4034 1 . LYS 90 90 4034 1 . ARG 91 91 4034 1 . ARG 92 92 4034 1 . LEU 93 93 4034 1 . ASP 94 94 4034 1 . SER 95 95 4034 1 . GLU 96 96 4034 1 . ASN 97 97 4034 1 . SER 98 98 4034 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 4034 _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_C163A . 9606 . . 'Homo sapiens' Human . . eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4034 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 4034 _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_C163A . 'recombinant technology' 'Escherichia coli' 'E. Coli' . . Escherichia coli . . . . . . . . . . . . . plasmid . . pGEX . . . 'natural source' . . 4034 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4034 _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; U-13C]' . . 1 $ERR2_C163A . . 1 . . mM . . . . 4034 1 2 phosphate . . . . . . . 20 . . mM . . . . 4034 1 3 DTT . . . . . . . 10 . . mM . . . . 4034 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 4034 _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 4034 1 temperature 300 0.1 K 4034 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 4034 _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 4034 _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' . . 4034 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 4034 _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 4034 _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 . . . . . . . . . . 4034 1 N 15 H2O protons . . . . ppm 118.04 . indirect 0.101329122 . . . . . . . . . 4034 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 4034 _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 . 4034 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 3 3 PRO CA C 13 63.1 0.03 . 1 . . . . . . . . 4034 1 2 . 1 1 4 4 LYS CA C 13 56.06 0.03 . 1 . . . . . . . . 4034 1 3 . 1 1 4 4 LYS N N 15 121.59 0.04 . 1 . . . . . . . . 4034 1 4 . 1 1 4 4 LYS H H 1 8.28 0.02 . 1 . . . . . . . . 4034 1 5 . 1 1 4 4 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 4034 1 6 . 1 1 4 4 LYS HB2 H 1 1.74 0.02 . 1 . . . . . . . . 4034 1 7 . 1 1 4 4 LYS HB3 H 1 1.74 0.02 . 1 . . . . . . . . 4034 1 8 . 1 1 5 5 ARG CA C 13 55.38 0.03 . 1 . . . . . . . . 4034 1 9 . 1 1 5 5 ARG N N 15 122.49 0.04 . 1 . . . . . . . . 4034 1 10 . 1 1 5 5 ARG H H 1 8.35 0.02 . 1 . . . . . . . . 4034 1 11 . 1 1 5 5 ARG HA H 1 4.36 0.02 . 1 . . . . . . . . 4034 1 12 . 1 1 5 5 ARG HB2 H 1 1.67 0.02 . 1 . . . . . . . . 4034 1 13 . 1 1 5 5 ARG HB3 H 1 1.67 0.02 . 1 . . . . . . . . 4034 1 14 . 1 1 6 6 LEU CA C 13 53.47 0.03 . 1 . . . . . . . . 4034 1 15 . 1 1 6 6 LEU N N 15 122.33 0.04 . 1 . . . . . . . . 4034 1 16 . 1 1 6 6 LEU H H 1 7.9 0.02 . 1 . . . . . . . . 4034 1 17 . 1 1 6 6 LEU HA H 1 4.68 0.02 . 1 . . . . . . . . 4034 1 18 . 1 1 6 6 LEU HB2 H 1 1.57 0.02 . 1 . . . . . . . . 4034 1 19 . 1 1 6 6 LEU HB3 H 1 1.57 0.02 . 1 . . . . . . . . 4034 1 20 . 1 1 6 6 LEU HG H 1 1.19 0.02 . 1 . . . . . . . . 4034 1 21 . 1 1 6 6 LEU HD11 H 1 0.89 0.02 . 2 . . . . . . . . 4034 1 22 . 1 1 6 6 LEU HD12 H 1 0.89 0.02 . 2 . . . . . . . . 4034 1 23 . 1 1 6 6 LEU HD13 H 1 0.89 0.02 . 2 . . . . . . . . 4034 1 24 . 1 1 6 6 LEU HD21 H 1 0.7 0.02 . 2 . . . . . . . . 4034 1 25 . 1 1 6 6 LEU HD22 H 1 0.7 0.02 . 2 . . . . . . . . 4034 1 26 . 1 1 6 6 LEU HD23 H 1 0.7 0.02 . 2 . . . . . . . . 4034 1 27 . 1 1 7 7 CYS CA C 13 58.92 0.03 . 1 . . . . . . . . 4034 1 28 . 1 1 7 7 CYS N N 15 121.57 0.04 . 1 . . . . . . . . 4034 1 29 . 1 1 7 7 CYS H H 1 9.51 0.02 . 1 . . . . . . . . 4034 1 30 . 1 1 7 7 CYS HA H 1 3.89 0.02 . 1 . . . . . . . . 4034 1 31 . 1 1 7 7 CYS HB2 H 1 3.17 0.02 . 2 . . . . . . . . 4034 1 32 . 1 1 7 7 CYS HB3 H 1 2.5 0.02 . 2 . . . . . . . . 4034 1 33 . 1 1 8 8 LEU CA C 13 57.02 0.03 . 1 . . . . . . . . 4034 1 34 . 1 1 8 8 LEU N N 15 131.87 0.04 . 1 . . . . . . . . 4034 1 35 . 1 1 8 8 LEU H H 1 8.6 0.02 . 1 . . . . . . . . 4034 1 36 . 1 1 8 8 LEU HA H 1 4.12 0.02 . 1 . . . . . . . . 4034 1 37 . 1 1 8 8 LEU HB2 H 1 1.69 0.02 . 2 . . . . . . . . 4034 1 38 . 1 1 8 8 LEU HB3 H 1 1.64 0.02 . 2 . . . . . . . . 4034 1 39 . 1 1 8 8 LEU HG H 1 2.08 0.02 . 1 . . . . . . . . 4034 1 40 . 1 1 8 8 LEU HD11 H 1 1.13 0.02 . 2 . . . . . . . . 4034 1 41 . 1 1 8 8 LEU HD12 H 1 1.13 0.02 . 2 . . . . . . . . 4034 1 42 . 1 1 8 8 LEU HD13 H 1 1.13 0.02 . 2 . . . . . . . . 4034 1 43 . 1 1 8 8 LEU HD21 H 1 0.99 0.02 . 2 . . . . . . . . 4034 1 44 . 1 1 8 8 LEU HD22 H 1 0.99 0.02 . 2 . . . . . . . . 4034 1 45 . 1 1 8 8 LEU HD23 H 1 0.99 0.02 . 2 . . . . . . . . 4034 1 46 . 1 1 9 9 VAL CA C 13 65.69 0.03 . 1 . . . . . . . . 4034 1 47 . 1 1 9 9 VAL N N 15 119.22 0.04 . 1 . . . . . . . . 4034 1 48 . 1 1 9 9 VAL H H 1 8.88 0.02 . 1 . . . . . . . . 4034 1 49 . 1 1 9 9 VAL HA H 1 3.74 0.02 . 1 . . . . . . . . 4034 1 50 . 1 1 9 9 VAL HB H 1 2.99 0.02 . 1 . . . . . . . . 4034 1 51 . 1 1 9 9 VAL HG11 H 1 0.87 0.02 . 1 . . . . . . . . 4034 1 52 . 1 1 9 9 VAL HG12 H 1 0.87 0.02 . 1 . . . . . . . . 4034 1 53 . 1 1 9 9 VAL HG13 H 1 0.87 0.02 . 1 . . . . . . . . 4034 1 54 . 1 1 9 9 VAL HG21 H 1 0.87 0.02 . 1 . . . . . . . . 4034 1 55 . 1 1 9 9 VAL HG22 H 1 0.87 0.02 . 1 . . . . . . . . 4034 1 56 . 1 1 9 9 VAL HG23 H 1 0.87 0.02 . 1 . . . . . . . . 4034 1 57 . 1 1 10 10 CYS CA C 13 58.74 0.03 . 1 . . . . . . . . 4034 1 58 . 1 1 10 10 CYS N N 15 117.00 0.04 . 1 . . . . . . . . 4034 1 59 . 1 1 10 10 CYS H H 1 8.37 0.02 . 1 . . . . . . . . 4034 1 60 . 1 1 10 10 CYS HA H 1 4.87 0.02 . 1 . . . . . . . . 4034 1 61 . 1 1 10 10 CYS HB2 H 1 2.98 0.02 . 2 . . . . . . . . 4034 1 62 . 1 1 10 10 CYS HB3 H 1 2.15 0.02 . 2 . . . . . . . . 4034 1 63 . 1 1 11 11 GLY CA C 13 46.61 0.03 . 1 . . . . . . . . 4034 1 64 . 1 1 11 11 GLY N N 15 110.99 0.04 . 1 . . . . . . . . 4034 1 65 . 1 1 11 11 GLY H H 1 7.89 0.02 . 1 . . . . . . . . 4034 1 66 . 1 1 11 11 GLY HA2 H 1 4.25 0.02 . 2 . . . . . . . . 4034 1 67 . 1 1 11 11 GLY HA3 H 1 3.81 0.02 . 2 . . . . . . . . 4034 1 68 . 1 1 12 12 ASP CA C 13 53.14 0.03 . 1 . . . . . . . . 4034 1 69 . 1 1 12 12 ASP N N 15 120.68 0.04 . 1 . . . . . . . . 4034 1 70 . 1 1 12 12 ASP H H 1 8.84 0.02 . 1 . . . . . . . . 4034 1 71 . 1 1 12 12 ASP HA H 1 4.76 0.02 . 1 . . . . . . . . 4034 1 72 . 1 1 12 12 ASP HB2 H 1 2.99 0.02 . 2 . . . . . . . . 4034 1 73 . 1 1 12 12 ASP HB3 H 1 2.51 0.02 . 2 . . . . . . . . 4034 1 74 . 1 1 13 13 ILE CA C 13 62.08 0.03 . 1 . . . . . . . . 4034 1 75 . 1 1 13 13 ILE N N 15 120.58 0.04 . 1 . . . . . . . . 4034 1 76 . 1 1 13 13 ILE H H 1 8.76 0.02 . 1 . . . . . . . . 4034 1 77 . 1 1 13 13 ILE HA H 1 3.88 0.02 . 1 . . . . . . . . 4034 1 78 . 1 1 13 13 ILE HB H 1 1.76 0.02 . 1 . . . . . . . . 4034 1 79 . 1 1 13 13 ILE HG12 H 1 1.58 0.02 . 2 . . . . . . . . 4034 1 80 . 1 1 13 13 ILE HG13 H 1 1.31 0.02 . 2 . . . . . . . . 4034 1 81 . 1 1 13 13 ILE HG21 H 1 0.97 0.02 . 1 . . . . . . . . 4034 1 82 . 1 1 13 13 ILE HG22 H 1 0.97 0.02 . 1 . . . . . . . . 4034 1 83 . 1 1 13 13 ILE HG23 H 1 0.97 0.02 . 1 . . . . . . . . 4034 1 84 . 1 1 13 13 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 4034 1 85 . 1 1 13 13 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 4034 1 86 . 1 1 13 13 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 4034 1 87 . 1 1 14 14 ALA CA C 13 51.88 0.03 . 1 . . . . . . . . 4034 1 88 . 1 1 14 14 ALA N N 15 127.98 0.04 . 1 . . . . . . . . 4034 1 89 . 1 1 14 14 ALA H H 1 8.53 0.02 . 1 . . . . . . . . 4034 1 90 . 1 1 14 14 ALA HA H 1 3.87 0.02 . 1 . . . . . . . . 4034 1 91 . 1 1 14 14 ALA HB1 H 1 0.96 0.02 . 1 . . . . . . . . 4034 1 92 . 1 1 14 14 ALA HB2 H 1 0.96 0.02 . 1 . . . . . . . . 4034 1 93 . 1 1 14 14 ALA HB3 H 1 0.96 0.02 . 1 . . . . . . . . 4034 1 94 . 1 1 15 15 SER CA C 13 57.54 0.03 . 1 . . . . . . . . 4034 1 95 . 1 1 15 15 SER N N 15 116.03 0.04 . 1 . . . . . . . . 4034 1 96 . 1 1 15 15 SER H H 1 8.93 0.02 . 1 . . . . . . . . 4034 1 97 . 1 1 15 15 SER HA H 1 4.74 0.02 . 1 . . . . . . . . 4034 1 98 . 1 1 16 16 GLY CA C 13 44.78 0.03 . 1 . . . . . . . . 4034 1 99 . 1 1 16 16 GLY N N 15 109.49 0.04 . 1 . . . . . . . . 4034 1 100 . 1 1 16 16 GLY H H 1 7.6 0.02 . 1 . . . . . . . . 4034 1 101 . 1 1 16 16 GLY HA2 H 1 3.81 0.02 . 2 . . . . . . . . 4034 1 102 . 1 1 16 16 GLY HA3 H 1 3.68 0.02 . 2 . . . . . . . . 4034 1 103 . 1 1 17 17 TYR CA C 13 56.98 0.03 . 1 . . . . . . . . 4034 1 104 . 1 1 17 17 TYR N N 15 120.22 0.04 . 1 . . . . . . . . 4034 1 105 . 1 1 17 17 TYR H H 1 8.15 0.02 . 1 . . . . . . . . 4034 1 106 . 1 1 17 17 TYR HA H 1 4.49 0.02 . 1 . . . . . . . . 4034 1 107 . 1 1 17 17 TYR HB2 H 1 2.62 0.02 . 2 . . . . . . . . 4034 1 108 . 1 1 17 17 TYR HB3 H 1 2.47 0.02 . 2 . . . . . . . . 4034 1 109 . 1 1 17 17 TYR HD1 H 1 6.85 0.02 . 1 . . . . . . . . 4034 1 110 . 1 1 17 17 TYR HD2 H 1 6.85 0.02 . 1 . . . . . . . . 4034 1 111 . 1 1 18 18 HIS CA C 13 54.7 0.03 . 1 . . . . . . . . 4034 1 112 . 1 1 18 18 HIS N N 15 123.03 0.04 . 1 . . . . . . . . 4034 1 113 . 1 1 18 18 HIS H H 1 8.48 0.02 . 1 . . . . . . . . 4034 1 114 . 1 1 18 18 HIS HA H 1 4.6 0.02 . 1 . . . . . . . . 4034 1 115 . 1 1 18 18 HIS HB2 H 1 2.78 0.02 . 1 . . . . . . . . 4034 1 116 . 1 1 18 18 HIS HB3 H 1 2.78 0.02 . 1 . . . . . . . . 4034 1 117 . 1 1 19 19 TYR CA C 13 57.22 0.03 . 1 . . . . . . . . 4034 1 118 . 1 1 19 19 TYR N N 15 119.67 0.04 . 1 . . . . . . . . 4034 1 119 . 1 1 19 19 TYR H H 1 8.87 0.02 . 1 . . . . . . . . 4034 1 120 . 1 1 19 19 TYR HA H 1 4.33 0.02 . 1 . . . . . . . . 4034 1 121 . 1 1 19 19 TYR HB2 H 1 3.00 0.02 . 2 . . . . . . . . 4034 1 122 . 1 1 19 19 TYR HB3 H 1 2.78 0.02 . 2 . . . . . . . . 4034 1 123 . 1 1 19 19 TYR HD1 H 1 6.99 0.02 . 1 . . . . . . . . 4034 1 124 . 1 1 19 19 TYR HD2 H 1 6.99 0.02 . 1 . . . . . . . . 4034 1 125 . 1 1 20 20 GLY CA C 13 44.91 0.03 . 1 . . . . . . . . 4034 1 126 . 1 1 20 20 GLY N N 15 101.48 0.04 . 1 . . . . . . . . 4034 1 127 . 1 1 20 20 GLY H H 1 8.19 0.02 . 1 . . . . . . . . 4034 1 128 . 1 1 20 20 GLY HA2 H 1 4.49 0.02 . 2 . . . . . . . . 4034 1 129 . 1 1 20 20 GLY HA3 H 1 3.5 0.02 . 2 . . . . . . . . 4034 1 130 . 1 1 21 21 VAL CA C 13 59.74 0.03 . 1 . . . . . . . . 4034 1 131 . 1 1 21 21 VAL N N 15 114.31 0.04 . 1 . . . . . . . . 4034 1 132 . 1 1 21 21 VAL H H 1 7.51 0.02 . 1 . . . . . . . . 4034 1 133 . 1 1 21 21 VAL HA H 1 4.63 0.02 . 1 . . . . . . . . 4034 1 134 . 1 1 21 21 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 4034 1 135 . 1 1 21 21 VAL HG11 H 1 0.81 0.02 . 2 . . . . . . . . 4034 1 136 . 1 1 21 21 VAL HG12 H 1 0.81 0.02 . 2 . . . . . . . . 4034 1 137 . 1 1 21 21 VAL HG13 H 1 0.81 0.02 . 2 . . . . . . . . 4034 1 138 . 1 1 21 21 VAL HG21 H 1 0.71 0.02 . 2 . . . . . . . . 4034 1 139 . 1 1 21 21 VAL HG22 H 1 0.71 0.02 . 2 . . . . . . . . 4034 1 140 . 1 1 21 21 VAL HG23 H 1 0.71 0.02 . 2 . . . . . . . . 4034 1 141 . 1 1 22 22 ALA CA C 13 52.76 0.03 . 1 . . . . . . . . 4034 1 142 . 1 1 22 22 ALA N N 15 128.8 0.04 . 1 . . . . . . . . 4034 1 143 . 1 1 22 22 ALA H H 1 8.45 0.02 . 1 . . . . . . . . 4034 1 144 . 1 1 22 22 ALA HA H 1 4.18 0.02 . 1 . . . . . . . . 4034 1 145 . 1 1 22 22 ALA HB1 H 1 1.03 0.02 . 1 . . . . . . . . 4034 1 146 . 1 1 22 22 ALA HB2 H 1 1.03 0.02 . 1 . . . . . . . . 4034 1 147 . 1 1 22 22 ALA HB3 H 1 1.03 0.02 . 1 . . . . . . . . 4034 1 148 . 1 1 23 23 SER CA C 13 56.09 0.03 . 1 . . . . . . . . 4034 1 149 . 1 1 23 23 SER N N 15 116.41 0.04 . 1 . . . . . . . . 4034 1 150 . 1 1 23 23 SER H H 1 8.4 0.02 . 1 . . . . . . . . 4034 1 151 . 1 1 23 23 SER HA H 1 6.12 0.02 . 1 . . . . . . . . 4034 1 152 . 1 1 23 23 SER HB2 H 1 3.79 0.02 . 1 . . . . . . . . 4034 1 153 . 1 1 23 23 SER HB3 H 1 3.79 0.02 . 1 . . . . . . . . 4034 1 154 . 1 1 24 24 CYS CA C 13 57.9 0.03 . 1 . . . . . . . . 4034 1 155 . 1 1 24 24 CYS N N 15 120.52 0.04 . 1 . . . . . . . . 4034 1 156 . 1 1 24 24 CYS H H 1 9.3 0.02 . 1 . . . . . . . . 4034 1 157 . 1 1 24 24 CYS HA H 1 5.15 0.02 . 1 . . . . . . . . 4034 1 158 . 1 1 24 24 CYS HB2 H 1 3.56 0.02 . 2 . . . . . . . . 4034 1 159 . 1 1 24 24 CYS HB3 H 1 2.88 0.02 . 2 . . . . . . . . 4034 1 160 . 1 1 25 25 GLU CA C 13 58.88 0.03 . 1 . . . . . . . . 4034 1 161 . 1 1 25 25 GLU N N 15 119.28 0.04 . 1 . . . . . . . . 4034 1 162 . 1 1 25 25 GLU H H 1 8.86 0.02 . 1 . . . . . . . . 4034 1 163 . 1 1 26 26 ALA CA C 13 55.59 0.03 . 1 . . . . . . . . 4034 1 164 . 1 1 26 26 ALA N N 15 124.15 0.04 . 1 . . . . . . . . 4034 1 165 . 1 1 26 26 ALA H H 1 8.41 0.02 . 1 . . . . . . . . 4034 1 166 . 1 1 26 26 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 4034 1 167 . 1 1 26 26 ALA HB1 H 1 1.6 0.02 . 1 . . . . . . . . 4034 1 168 . 1 1 26 26 ALA HB2 H 1 1.6 0.02 . 1 . . . . . . . . 4034 1 169 . 1 1 26 26 ALA HB3 H 1 1.6 0.02 . 1 . . . . . . . . 4034 1 170 . 1 1 27 27 CYS CA C 13 65.6 0.03 . 1 . . . . . . . . 4034 1 171 . 1 1 27 27 CYS N N 15 124.99 0.04 . 1 . . . . . . . . 4034 1 172 . 1 1 27 27 CYS H H 1 9.51 0.02 . 1 . . . . . . . . 4034 1 173 . 1 1 27 27 CYS HA H 1 4.12 0.02 . 1 . . . . . . . . 4034 1 174 . 1 1 27 27 CYS HB2 H 1 3.01 0.02 . 1 . . . . . . . . 4034 1 175 . 1 1 27 27 CYS HB3 H 1 3.01 0.02 . 1 . . . . . . . . 4034 1 176 . 1 1 28 28 LYS CA C 13 60.42 0.03 . 1 . . . . . . . . 4034 1 177 . 1 1 28 28 LYS N N 15 121.27 0.04 . 1 . . . . . . . . 4034 1 178 . 1 1 28 28 LYS H H 1 7.86 0.02 . 1 . . . . . . . . 4034 1 179 . 1 1 28 28 LYS HA H 1 3.94 0.02 . 1 . . . . . . . . 4034 1 180 . 1 1 28 28 LYS HB2 H 1 1.7 0.02 . 2 . . . . . . . . 4034 1 181 . 1 1 28 28 LYS HB3 H 1 1.59 0.02 . 2 . . . . . . . . 4034 1 182 . 1 1 29 29 ALA CA C 13 55.08 0.03 . 1 . . . . . . . . 4034 1 183 . 1 1 29 29 ALA N N 15 120.44 0.04 . 1 . . . . . . . . 4034 1 184 . 1 1 29 29 ALA H H 1 8.23 0.02 . 1 . . . . . . . . 4034 1 185 . 1 1 29 29 ALA HA H 1 4.13 0.02 . 1 . . . . . . . . 4034 1 186 . 1 1 29 29 ALA HB1 H 1 1.55 0.02 . 1 . . . . . . . . 4034 1 187 . 1 1 29 29 ALA HB2 H 1 1.55 0.02 . 1 . . . . . . . . 4034 1 188 . 1 1 29 29 ALA HB3 H 1 1.55 0.02 . 1 . . . . . . . . 4034 1 189 . 1 1 30 30 PHE CA C 13 60.52 0.03 . 1 . . . . . . . . 4034 1 190 . 1 1 30 30 PHE N N 15 119.58 0.04 . 1 . . . . . . . . 4034 1 191 . 1 1 30 30 PHE H H 1 8.35 0.02 . 1 . . . . . . . . 4034 1 192 . 1 1 30 30 PHE HA H 1 4.29 0.02 . 1 . . . . . . . . 4034 1 193 . 1 1 30 30 PHE HB2 H 1 3.38 0.02 . 2 . . . . . . . . 4034 1 194 . 1 1 30 30 PHE HB3 H 1 3.16 0.02 . 2 . . . . . . . . 4034 1 195 . 1 1 30 30 PHE HD1 H 1 7.3 0.02 . 1 . . . . . . . . 4034 1 196 . 1 1 30 30 PHE HD2 H 1 7.3 0.02 . 1 . . . . . . . . 4034 1 197 . 1 1 31 31 PHE CA C 13 63.16 0.03 . 1 . . . . . . . . 4034 1 198 . 1 1 31 31 PHE N N 15 126.34 0.04 . 1 . . . . . . . . 4034 1 199 . 1 1 31 31 PHE H H 1 8.84 0.02 . 1 . . . . . . . . 4034 1 200 . 1 1 31 31 PHE HA H 1 3.74 0.02 . 1 . . . . . . . . 4034 1 201 . 1 1 31 31 PHE HB2 H 1 3.3 0.02 . 2 . . . . . . . . 4034 1 202 . 1 1 31 31 PHE HB3 H 1 3.19 0.02 . 2 . . . . . . . . 4034 1 203 . 1 1 31 31 PHE HD1 H 1 6.79 0.02 . 1 . . . . . . . . 4034 1 204 . 1 1 31 31 PHE HD2 H 1 6.79 0.02 . 1 . . . . . . . . 4034 1 205 . 1 1 32 32 LYS CA C 13 60.08 0.03 . 1 . . . . . . . . 4034 1 206 . 1 1 32 32 LYS N N 15 117.68 0.04 . 1 . . . . . . . . 4034 1 207 . 1 1 32 32 LYS H H 1 8.49 0.02 . 1 . . . . . . . . 4034 1 208 . 1 1 32 32 LYS HA H 1 3.72 0.02 . 1 . . . . . . . . 4034 1 209 . 1 1 32 32 LYS HB2 H 1 1.91 0.02 . 1 . . . . . . . . 4034 1 210 . 1 1 32 32 LYS HB3 H 1 1.91 0.02 . 1 . . . . . . . . 4034 1 211 . 1 1 33 33 ARG CA C 13 58.92 0.03 . 1 . . . . . . . . 4034 1 212 . 1 1 33 33 ARG N N 15 116.88 0.04 . 1 . . . . . . . . 4034 1 213 . 1 1 33 33 ARG H H 1 8.32 0.02 . 1 . . . . . . . . 4034 1 214 . 1 1 33 33 ARG HA H 1 4.02 0.02 . 1 . . . . . . . . 4034 1 215 . 1 1 33 33 ARG HB2 H 1 1.91 0.02 . 2 . . . . . . . . 4034 1 216 . 1 1 33 33 ARG HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4034 1 217 . 1 1 34 34 THR CA C 13 67.05 0.03 . 1 . . . . . . . . 4034 1 218 . 1 1 34 34 THR N N 15 116.86 0.04 . 1 . . . . . . . . 4034 1 219 . 1 1 34 34 THR H H 1 7.61 0.02 . 1 . . . . . . . . 4034 1 220 . 1 1 34 34 THR HA H 1 3.39 0.02 . 1 . . . . . . . . 4034 1 221 . 1 1 34 34 THR HB H 1 3.69 0.02 . 1 . . . . . . . . 4034 1 222 . 1 1 34 34 THR HG21 H 1 0.23 0.02 . 1 . . . . . . . . 4034 1 223 . 1 1 34 34 THR HG22 H 1 0.23 0.02 . 1 . . . . . . . . 4034 1 224 . 1 1 34 34 THR HG23 H 1 0.23 0.02 . 1 . . . . . . . . 4034 1 225 . 1 1 35 35 ILE CA C 13 62.25 0.03 . 1 . . . . . . . . 4034 1 226 . 1 1 35 35 ILE N N 15 119.3 0.04 . 1 . . . . . . . . 4034 1 227 . 1 1 35 35 ILE H H 1 7.68 0.02 . 1 . . . . . . . . 4034 1 228 . 1 1 35 35 ILE HA H 1 3.69 0.02 . 1 . . . . . . . . 4034 1 229 . 1 1 35 35 ILE HB H 1 1.68 0.02 . 1 . . . . . . . . 4034 1 230 . 1 1 35 35 ILE HG12 H 1 1.03 0.02 . 2 . . . . . . . . 4034 1 231 . 1 1 35 35 ILE HG13 H 1 0.7 0.02 . 2 . . . . . . . . 4034 1 232 . 1 1 35 35 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 4034 1 233 . 1 1 35 35 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 4034 1 234 . 1 1 35 35 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 4034 1 235 . 1 1 35 35 ILE HD11 H 1 0.43 0.02 . 1 . . . . . . . . 4034 1 236 . 1 1 35 35 ILE HD12 H 1 0.43 0.02 . 1 . . . . . . . . 4034 1 237 . 1 1 35 35 ILE HD13 H 1 0.43 0.02 . 1 . . . . . . . . 4034 1 238 . 1 1 36 36 GLN CA C 13 59.02 0.03 . 1 . . . . . . . . 4034 1 239 . 1 1 36 36 GLN N N 15 118.73 0.04 . 1 . . . . . . . . 4034 1 240 . 1 1 36 36 GLN H H 1 8.6 0.02 . 1 . . . . . . . . 4034 1 241 . 1 1 36 36 GLN HA H 1 3.93 0.02 . 1 . . . . . . . . 4034 1 242 . 1 1 36 36 GLN HB2 H 1 2.04 0.02 . 2 . . . . . . . . 4034 1 243 . 1 1 36 36 GLN HB3 H 1 1.94 0.02 . 2 . . . . . . . . 4034 1 244 . 1 1 36 36 GLN HG2 H 1 2.52 0.02 . 2 . . . . . . . . 4034 1 245 . 1 1 36 36 GLN HG3 H 1 2.25 0.02 . 2 . . . . . . . . 4034 1 246 . 1 1 37 37 GLY CA C 13 44.74 0.03 . 1 . . . . . . . . 4034 1 247 . 1 1 37 37 GLY N N 15 102.87 0.04 . 1 . . . . . . . . 4034 1 248 . 1 1 37 37 GLY H H 1 7.59 0.02 . 1 . . . . . . . . 4034 1 249 . 1 1 37 37 GLY HA2 H 1 4.2 0.02 . 2 . . . . . . . . 4034 1 250 . 1 1 37 37 GLY HA3 H 1 3.37 0.02 . 2 . . . . . . . . 4034 1 251 . 1 1 38 38 ASN CA C 13 53.99 0.03 . 1 . . . . . . . . 4034 1 252 . 1 1 38 38 ASN N N 15 118.91 0.04 . 1 . . . . . . . . 4034 1 253 . 1 1 38 38 ASN H H 1 7.62 0.02 . 1 . . . . . . . . 4034 1 254 . 1 1 38 38 ASN HA H 1 4.22 0.02 . 1 . . . . . . . . 4034 1 255 . 1 1 38 38 ASN HB2 H 1 2.94 0.02 . 2 . . . . . . . . 4034 1 256 . 1 1 38 38 ASN HB3 H 1 2.59 0.02 . 2 . . . . . . . . 4034 1 257 . 1 1 39 39 ILE CA C 13 61.77 0.03 . 1 . . . . . . . . 4034 1 258 . 1 1 39 39 ILE N N 15 117.93 0.04 . 1 . . . . . . . . 4034 1 259 . 1 1 39 39 ILE H H 1 7.67 0.02 . 1 . . . . . . . . 4034 1 260 . 1 1 39 39 ILE HA H 1 3.56 0.02 . 1 . . . . . . . . 4034 1 261 . 1 1 39 39 ILE HB H 1 1.23 0.02 . 1 . . . . . . . . 4034 1 262 . 1 1 39 39 ILE HG12 H 1 0.82 0.02 . 1 . . . . . . . . 4034 1 263 . 1 1 39 39 ILE HG13 H 1 0.82 0.02 . 1 . . . . . . . . 4034 1 264 . 1 1 39 39 ILE HG21 H 1 0.68 0.02 . 1 . . . . . . . . 4034 1 265 . 1 1 39 39 ILE HG22 H 1 0.68 0.02 . 1 . . . . . . . . 4034 1 266 . 1 1 39 39 ILE HG23 H 1 0.68 0.02 . 1 . . . . . . . . 4034 1 267 . 1 1 39 39 ILE HD11 H 1 0.24 0.02 . 1 . . . . . . . . 4034 1 268 . 1 1 39 39 ILE HD12 H 1 0.24 0.02 . 1 . . . . . . . . 4034 1 269 . 1 1 39 39 ILE HD13 H 1 0.24 0.02 . 1 . . . . . . . . 4034 1 270 . 1 1 40 40 GLU CA C 13 54.57 0.03 . 1 . . . . . . . . 4034 1 271 . 1 1 40 40 GLU N N 15 125.53 0.04 . 1 . . . . . . . . 4034 1 272 . 1 1 40 40 GLU H H 1 7.96 0.02 . 1 . . . . . . . . 4034 1 273 . 1 1 40 40 GLU HA H 1 4.1 0.02 . 1 . . . . . . . . 4034 1 274 . 1 1 40 40 GLU HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4034 1 275 . 1 1 40 40 GLU HB3 H 1 1.68 0.02 . 2 . . . . . . . . 4034 1 276 . 1 1 40 40 GLU HG2 H 1 2.08 0.02 . 2 . . . . . . . . 4034 1 277 . 1 1 40 40 GLU HG3 H 1 1.99 0.02 . 2 . . . . . . . . 4034 1 278 . 1 1 41 41 TYR CA C 13 55.98 0.03 . 1 . . . . . . . . 4034 1 279 . 1 1 41 41 TYR N N 15 122.56 0.04 . 1 . . . . . . . . 4034 1 280 . 1 1 41 41 TYR H H 1 8.41 0.02 . 1 . . . . . . . . 4034 1 281 . 1 1 41 41 TYR HA H 1 4.96 0.02 . 1 . . . . . . . . 4034 1 282 . 1 1 41 41 TYR HB2 H 1 3.23 0.02 . 2 . . . . . . . . 4034 1 283 . 1 1 41 41 TYR HB3 H 1 2.47 0.02 . 2 . . . . . . . . 4034 1 284 . 1 1 41 41 TYR HD1 H 1 6.95 0.02 . 1 . . . . . . . . 4034 1 285 . 1 1 41 41 TYR HD2 H 1 6.95 0.02 . 1 . . . . . . . . 4034 1 286 . 1 1 41 41 TYR HE1 H 1 6.53 0.02 . 1 . . . . . . . . 4034 1 287 . 1 1 41 41 TYR HE2 H 1 6.53 0.02 . 1 . . . . . . . . 4034 1 288 . 1 1 42 42 SER CA C 13 56.88 0.03 . 1 . . . . . . . . 4034 1 289 . 1 1 42 42 SER N N 15 115.11 0.04 . 1 . . . . . . . . 4034 1 290 . 1 1 42 42 SER H H 1 8.78 0.02 . 1 . . . . . . . . 4034 1 291 . 1 1 42 42 SER HA H 1 4.74 0.02 . 1 . . . . . . . . 4034 1 292 . 1 1 42 42 SER HB2 H 1 3.68 0.02 . 1 . . . . . . . . 4034 1 293 . 1 1 42 42 SER HB3 H 1 3.68 0.02 . 1 . . . . . . . . 4034 1 294 . 1 1 43 43 CYS CA C 13 56.88 0.03 . 1 . . . . . . . . 4034 1 295 . 1 1 43 43 CYS N N 15 132.39 0.04 . 1 . . . . . . . . 4034 1 296 . 1 1 43 43 CYS H H 1 9.14 0.02 . 1 . . . . . . . . 4034 1 297 . 1 1 43 43 CYS HA H 1 4.74 0.02 . 1 . . . . . . . . 4034 1 298 . 1 1 43 43 CYS HB2 H 1 2.85 0.02 . 1 . . . . . . . . 4034 1 299 . 1 1 43 43 CYS HB3 H 1 2.85 0.02 . 1 . . . . . . . . 4034 1 300 . 1 1 44 44 PRO CA C 13 63.74 0.03 . 1 . . . . . . . . 4034 1 301 . 1 1 45 45 ALA CA C 13 51.34 0.03 . 1 . . . . . . . . 4034 1 302 . 1 1 45 45 ALA N N 15 132.58 0.04 . 1 . . . . . . . . 4034 1 303 . 1 1 45 45 ALA H H 1 9.53 0.02 . 1 . . . . . . . . 4034 1 304 . 1 1 45 45 ALA HA H 1 4.75 0.02 . 1 . . . . . . . . 4034 1 305 . 1 1 45 45 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 4034 1 306 . 1 1 45 45 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 4034 1 307 . 1 1 45 45 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 4034 1 308 . 1 1 46 46 THR CA C 13 60.73 0.03 . 1 . . . . . . . . 4034 1 309 . 1 1 46 46 THR N N 15 115.08 0.04 . 1 . . . . . . . . 4034 1 310 . 1 1 46 46 THR H H 1 8.74 0.02 . 1 . . . . . . . . 4034 1 311 . 1 1 46 46 THR HA H 1 4.6 0.02 . 1 . . . . . . . . 4034 1 312 . 1 1 46 46 THR HB H 1 4.6 0.02 . 1 . . . . . . . . 4034 1 313 . 1 1 46 46 THR HG21 H 1 1.06 0.02 . 1 . . . . . . . . 4034 1 314 . 1 1 46 46 THR HG22 H 1 1.06 0.02 . 1 . . . . . . . . 4034 1 315 . 1 1 46 46 THR HG23 H 1 1.06 0.02 . 1 . . . . . . . . 4034 1 316 . 1 1 47 47 ASN CA C 13 55.45 0.03 . 1 . . . . . . . . 4034 1 317 . 1 1 47 47 ASN N N 15 118.52 0.04 . 1 . . . . . . . . 4034 1 318 . 1 1 47 47 ASN H H 1 9.26 0.02 . 1 . . . . . . . . 4034 1 319 . 1 1 47 47 ASN HA H 1 4.46 0.02 . 1 . . . . . . . . 4034 1 320 . 1 1 47 47 ASN HB2 H 1 3.03 0.02 . 1 . . . . . . . . 4034 1 321 . 1 1 47 47 ASN HB3 H 1 3.03 0.02 . 1 . . . . . . . . 4034 1 322 . 1 1 48 48 GLU CA C 13 54.94 0.03 . 1 . . . . . . . . 4034 1 323 . 1 1 48 48 GLU N N 15 119.68 0.04 . 1 . . . . . . . . 4034 1 324 . 1 1 48 48 GLU H H 1 8.87 0.02 . 1 . . . . . . . . 4034 1 325 . 1 1 48 48 GLU HA H 1 4.71 0.02 . 1 . . . . . . . . 4034 1 326 . 1 1 48 48 GLU HB2 H 1 1.68 0.02 . 1 . . . . . . . . 4034 1 327 . 1 1 48 48 GLU HB3 H 1 1.68 0.02 . 1 . . . . . . . . 4034 1 328 . 1 1 49 49 CYS CA C 13 61.62 0.03 . 1 . . . . . . . . 4034 1 329 . 1 1 49 49 CYS N N 15 125.9 0.04 . 1 . . . . . . . . 4034 1 330 . 1 1 49 49 CYS H H 1 8.92 0.02 . 1 . . . . . . . . 4034 1 331 . 1 1 49 49 CYS HA H 1 3.89 0.02 . 1 . . . . . . . . 4034 1 332 . 1 1 49 49 CYS HB2 H 1 3.03 0.02 . 2 . . . . . . . . 4034 1 333 . 1 1 49 49 CYS HB3 H 1 2.62 0.02 . 2 . . . . . . . . 4034 1 334 . 1 1 50 50 GLU CA C 13 56.37 0.03 . 1 . . . . . . . . 4034 1 335 . 1 1 50 50 GLU N N 15 122.3 0.04 . 1 . . . . . . . . 4034 1 336 . 1 1 50 50 GLU H H 1 8.48 0.02 . 1 . . . . . . . . 4034 1 337 . 1 1 50 50 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 4034 1 338 . 1 1 50 50 GLU HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4034 1 339 . 1 1 50 50 GLU HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4034 1 340 . 1 1 50 50 GLU HG2 H 1 2.22 0.02 . 2 . . . . . . . . 4034 1 341 . 1 1 50 50 GLU HG3 H 1 2.07 0.02 . 2 . . . . . . . . 4034 1 342 . 1 1 51 51 ILE CA C 13 59.05 0.03 . 1 . . . . . . . . 4034 1 343 . 1 1 51 51 ILE N N 15 126.52 0.04 . 1 . . . . . . . . 4034 1 344 . 1 1 51 51 ILE H H 1 8.6 0.02 . 1 . . . . . . . . 4034 1 345 . 1 1 51 51 ILE HA H 1 4.23 0.02 . 1 . . . . . . . . 4034 1 346 . 1 1 51 51 ILE HB H 1 2.07 0.02 . 1 . . . . . . . . 4034 1 347 . 1 1 52 52 THR CA C 13 59.67 0.03 . 1 . . . . . . . . 4034 1 348 . 1 1 52 52 THR N N 15 115.94 0.04 . 1 . . . . . . . . 4034 1 349 . 1 1 52 52 THR H H 1 7.57 0.02 . 1 . . . . . . . . 4034 1 350 . 1 1 52 52 THR HA H 1 4.83 0.02 . 1 . . . . . . . . 4034 1 351 . 1 1 52 52 THR HB H 1 4.35 0.02 . 1 . . . . . . . . 4034 1 352 . 1 1 52 52 THR HG21 H 1 1.09 0.02 . 1 . . . . . . . . 4034 1 353 . 1 1 52 52 THR HG22 H 1 1.09 0.02 . 1 . . . . . . . . 4034 1 354 . 1 1 52 52 THR HG23 H 1 1.09 0.02 . 1 . . . . . . . . 4034 1 355 . 1 1 53 53 LYS CA C 13 57.83 0.03 . 1 . . . . . . . . 4034 1 356 . 1 1 53 53 LYS N N 15 121.93 0.04 . 1 . . . . . . . . 4034 1 357 . 1 1 53 53 LYS H H 1 8.32 0.02 . 1 . . . . . . . . 4034 1 358 . 1 1 53 53 LYS HA H 1 4.15 0.02 . 1 . . . . . . . . 4034 1 359 . 1 1 53 53 LYS HB2 H 1 1.82 0.02 . 1 . . . . . . . . 4034 1 360 . 1 1 53 53 LYS HB3 H 1 1.82 0.02 . 1 . . . . . . . . 4034 1 361 . 1 1 54 54 ARG CA C 13 56.98 0.03 . 1 . . . . . . . . 4034 1 362 . 1 1 54 54 ARG N N 15 118.46 0.04 . 1 . . . . . . . . 4034 1 363 . 1 1 54 54 ARG H H 1 8.12 0.02 . 1 . . . . . . . . 4034 1 364 . 1 1 54 54 ARG HA H 1 4.17 0.02 . 1 . . . . . . . . 4034 1 365 . 1 1 54 54 ARG HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4034 1 366 . 1 1 54 54 ARG HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4034 1 367 . 1 1 55 55 ARG CA C 13 56.1 0.03 . 1 . . . . . . . . 4034 1 368 . 1 1 55 55 ARG N N 15 119.4 0.04 . 1 . . . . . . . . 4034 1 369 . 1 1 55 55 ARG H H 1 7.73 0.02 . 1 . . . . . . . . 4034 1 370 . 1 1 55 55 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 4034 1 371 . 1 1 55 55 ARG HB2 H 1 1.87 0.02 . 2 . . . . . . . . 4034 1 372 . 1 1 55 55 ARG HB3 H 1 1.59 0.02 . 2 . . . . . . . . 4034 1 373 . 1 1 56 56 ARG CA C 13 58.07 0.03 . 1 . . . . . . . . 4034 1 374 . 1 1 57 57 LYS CA C 13 55.93 0.03 . 1 . . . . . . . . 4034 1 375 . 1 1 57 57 LYS N N 15 118.35 0.04 . 1 . . . . . . . . 4034 1 376 . 1 1 57 57 LYS H H 1 8.07 0.02 . 1 . . . . . . . . 4034 1 377 . 1 1 57 57 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 4034 1 378 . 1 1 57 57 LYS HB2 H 1 1.65 0.02 . 1 . . . . . . . . 4034 1 379 . 1 1 57 57 LYS HB3 H 1 1.65 0.02 . 1 . . . . . . . . 4034 1 380 . 1 1 58 58 SER CA C 13 58.65 0.03 . 1 . . . . . . . . 4034 1 381 . 1 1 58 58 SER N N 15 116.71 0.04 . 1 . . . . . . . . 4034 1 382 . 1 1 58 58 SER H H 1 7.87 0.02 . 1 . . . . . . . . 4034 1 383 . 1 1 58 58 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 4034 1 384 . 1 1 58 58 SER HB2 H 1 3.71 0.02 . 1 . . . . . . . . 4034 1 385 . 1 1 58 58 SER HB3 H 1 3.71 0.02 . 1 . . . . . . . . 4034 1 386 . 1 1 59 59 CYS CA C 13 59.67 0.03 . 1 . . . . . . . . 4034 1 387 . 1 1 59 59 CYS N N 15 125.38 0.04 . 1 . . . . . . . . 4034 1 388 . 1 1 59 59 CYS H H 1 8.07 0.02 . 1 . . . . . . . . 4034 1 389 . 1 1 59 59 CYS HA H 1 4.29 0.02 . 1 . . . . . . . . 4034 1 390 . 1 1 59 59 CYS HB2 H 1 3.06 0.02 . 2 . . . . . . . . 4034 1 391 . 1 1 59 59 CYS HB3 H 1 2.67 0.02 . 2 . . . . . . . . 4034 1 392 . 1 1 60 60 GLN CA C 13 59.1 0.03 . 1 . . . . . . . . 4034 1 393 . 1 1 60 60 GLN N N 15 129.36 0.04 . 1 . . . . . . . . 4034 1 394 . 1 1 60 60 GLN H H 1 8.64 0.02 . 1 . . . . . . . . 4034 1 395 . 1 1 60 60 GLN HA H 1 3.69 0.02 . 1 . . . . . . . . 4034 1 396 . 1 1 60 60 GLN HB2 H 1 1.41 0.02 . 1 . . . . . . . . 4034 1 397 . 1 1 60 60 GLN HB3 H 1 1.41 0.02 . 1 . . . . . . . . 4034 1 398 . 1 1 60 60 GLN HG2 H 1 2.31 0.02 . 2 . . . . . . . . 4034 1 399 . 1 1 60 60 GLN HG3 H 1 2.13 0.02 . 2 . . . . . . . . 4034 1 400 . 1 1 61 61 ALA CA C 13 55.79 0.03 . 1 . . . . . . . . 4034 1 401 . 1 1 61 61 ALA N N 15 122.28 0.04 . 1 . . . . . . . . 4034 1 402 . 1 1 61 61 ALA H H 1 8.2 0.02 . 1 . . . . . . . . 4034 1 403 . 1 1 61 61 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 4034 1 404 . 1 1 61 61 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 4034 1 405 . 1 1 61 61 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 4034 1 406 . 1 1 61 61 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 4034 1 407 . 1 1 62 62 CYS CA C 13 64.9 0.03 . 1 . . . . . . . . 4034 1 408 . 1 1 62 62 CYS N N 15 122.11 0.04 . 1 . . . . . . . . 4034 1 409 . 1 1 62 62 CYS H H 1 9.58 0.02 . 1 . . . . . . . . 4034 1 410 . 1 1 62 62 CYS HA H 1 4.12 0.02 . 1 . . . . . . . . 4034 1 411 . 1 1 62 62 CYS HB2 H 1 3.02 0.02 . 2 . . . . . . . . 4034 1 412 . 1 1 62 62 CYS HB3 H 1 2.64 0.02 . 2 . . . . . . . . 4034 1 413 . 1 1 63 63 ARG CA C 13 60.11 0.03 . 1 . . . . . . . . 4034 1 414 . 1 1 63 63 ARG N N 15 123.46 0.04 . 1 . . . . . . . . 4034 1 415 . 1 1 63 63 ARG H H 1 8.37 0.02 . 1 . . . . . . . . 4034 1 416 . 1 1 63 63 ARG HA H 1 3.79 0.02 . 1 . . . . . . . . 4034 1 417 . 1 1 63 63 ARG HB2 H 1 1.65 0.02 . 1 . . . . . . . . 4034 1 418 . 1 1 63 63 ARG HB3 H 1 1.65 0.02 . 1 . . . . . . . . 4034 1 419 . 1 1 64 64 PHE CA C 13 62.00 0.03 . 1 . . . . . . . . 4034 1 420 . 1 1 64 64 PHE N N 15 119.31 0.04 . 1 . . . . . . . . 4034 1 421 . 1 1 64 64 PHE H H 1 8.65 0.02 . 1 . . . . . . . . 4034 1 422 . 1 1 64 64 PHE HA H 1 4.61 0.02 . 1 . . . . . . . . 4034 1 423 . 1 1 64 64 PHE HB2 H 1 3.69 0.02 . 2 . . . . . . . . 4034 1 424 . 1 1 64 64 PHE HB3 H 1 3.5 0.02 . 2 . . . . . . . . 4034 1 425 . 1 1 64 64 PHE HD1 H 1 7.56 0.02 . 1 . . . . . . . . 4034 1 426 . 1 1 64 64 PHE HD2 H 1 7.56 0.02 . 1 . . . . . . . . 4034 1 427 . 1 1 64 64 PHE HE1 H 1 7.33 0.02 . 1 . . . . . . . . 4034 1 428 . 1 1 64 64 PHE HE2 H 1 7.33 0.02 . 1 . . . . . . . . 4034 1 429 . 1 1 64 64 PHE HZ H 1 7.1 0.02 . 1 . . . . . . . . 4034 1 430 . 1 1 65 65 MET CA C 13 57.93 0.03 . 1 . . . . . . . . 4034 1 431 . 1 1 65 65 MET N N 15 115.96 0.04 . 1 . . . . . . . . 4034 1 432 . 1 1 65 65 MET H H 1 8.44 0.02 . 1 . . . . . . . . 4034 1 433 . 1 1 65 65 MET HA H 1 4.22 0.02 . 1 . . . . . . . . 4034 1 434 . 1 1 65 65 MET HB2 H 1 2.27 0.02 . 2 . . . . . . . . 4034 1 435 . 1 1 65 65 MET HB3 H 1 2.13 0.02 . 2 . . . . . . . . 4034 1 436 . 1 1 65 65 MET HG2 H 1 2.83 0.02 . 1 . . . . . . . . 4034 1 437 . 1 1 65 65 MET HG3 H 1 2.83 0.02 . 1 . . . . . . . . 4034 1 438 . 1 1 66 66 LYS CA C 13 59.43 0.03 . 1 . . . . . . . . 4034 1 439 . 1 1 66 66 LYS N N 15 121.39 0.04 . 1 . . . . . . . . 4034 1 440 . 1 1 66 66 LYS H H 1 8.38 0.02 . 1 . . . . . . . . 4034 1 441 . 1 1 66 66 LYS HA H 1 4.11 0.02 . 1 . . . . . . . . 4034 1 442 . 1 1 66 66 LYS HB2 H 1 2.27 0.02 . 1 . . . . . . . . 4034 1 443 . 1 1 66 66 LYS HB3 H 1 2.27 0.02 . 1 . . . . . . . . 4034 1 444 . 1 1 67 67 ALA CA C 13 55.47 0.03 . 1 . . . . . . . . 4034 1 445 . 1 1 67 67 ALA N N 15 121.17 0.04 . 1 . . . . . . . . 4034 1 446 . 1 1 67 67 ALA H H 1 8.2 0.02 . 1 . . . . . . . . 4034 1 447 . 1 1 67 67 ALA HA H 1 3.91 0.02 . 1 . . . . . . . . 4034 1 448 . 1 1 67 67 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 4034 1 449 . 1 1 67 67 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 4034 1 450 . 1 1 67 67 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 4034 1 451 . 1 1 68 68 LEU CA C 13 57.25 0.03 . 1 . . . . . . . . 4034 1 452 . 1 1 68 68 LEU N N 15 115.17 0.04 . 1 . . . . . . . . 4034 1 453 . 1 1 68 68 LEU H H 1 7.84 0.02 . 1 . . . . . . . . 4034 1 454 . 1 1 68 68 LEU HA H 1 4.22 0.02 . 1 . . . . . . . . 4034 1 455 . 1 1 68 68 LEU HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4034 1 456 . 1 1 68 68 LEU HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4034 1 457 . 1 1 68 68 LEU HG H 1 1.43 0.02 . 1 . . . . . . . . 4034 1 458 . 1 1 68 68 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 4034 1 459 . 1 1 68 68 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 4034 1 460 . 1 1 68 68 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 4034 1 461 . 1 1 68 68 LEU HD21 H 1 0.73 0.02 . 2 . . . . . . . . 4034 1 462 . 1 1 68 68 LEU HD22 H 1 0.73 0.02 . 2 . . . . . . . . 4034 1 463 . 1 1 68 68 LEU HD23 H 1 0.73 0.02 . 2 . . . . . . . . 4034 1 464 . 1 1 69 69 LYS CA C 13 59.6 0.03 . 1 . . . . . . . . 4034 1 465 . 1 1 69 69 LYS N N 15 123.01 0.04 . 1 . . . . . . . . 4034 1 466 . 1 1 69 69 LYS H H 1 8.48 0.02 . 1 . . . . . . . . 4034 1 467 . 1 1 69 69 LYS HA H 1 4.02 0.02 . 1 . . . . . . . . 4034 1 468 . 1 1 69 69 LYS HB2 H 1 2.05 0.02 . 1 . . . . . . . . 4034 1 469 . 1 1 69 69 LYS HB3 H 1 2.05 0.02 . 1 . . . . . . . . 4034 1 470 . 1 1 70 70 VAL CA C 13 62.26 0.03 . 1 . . . . . . . . 4034 1 471 . 1 1 70 70 VAL N N 15 110.41 0.04 . 1 . . . . . . . . 4034 1 472 . 1 1 70 70 VAL H H 1 8.43 0.02 . 1 . . . . . . . . 4034 1 473 . 1 1 70 70 VAL HA H 1 4.33 0.02 . 1 . . . . . . . . 4034 1 474 . 1 1 70 70 VAL HB H 1 2.47 0.02 . 1 . . . . . . . . 4034 1 475 . 1 1 70 70 VAL HG11 H 1 1.01 0.02 . 1 . . . . . . . . 4034 1 476 . 1 1 70 70 VAL HG12 H 1 1.01 0.02 . 1 . . . . . . . . 4034 1 477 . 1 1 70 70 VAL HG13 H 1 1.01 0.02 . 1 . . . . . . . . 4034 1 478 . 1 1 70 70 VAL HG21 H 1 1.01 0.02 . 1 . . . . . . . . 4034 1 479 . 1 1 70 70 VAL HG22 H 1 1.01 0.02 . 1 . . . . . . . . 4034 1 480 . 1 1 70 70 VAL HG23 H 1 1.01 0.02 . 1 . . . . . . . . 4034 1 481 . 1 1 71 71 GLY CA C 13 45.22 0.03 . 1 . . . . . . . . 4034 1 482 . 1 1 71 71 GLY N N 15 105.31 0.04 . 1 . . . . . . . . 4034 1 483 . 1 1 71 71 GLY H H 1 7.33 0.02 . 1 . . . . . . . . 4034 1 484 . 1 1 71 71 GLY HA2 H 1 4.35 0.02 . 2 . . . . . . . . 4034 1 485 . 1 1 71 71 GLY HA3 H 1 3.6 0.02 . 2 . . . . . . . . 4034 1 486 . 1 1 72 72 MET CA C 13 58.65 0.03 . 1 . . . . . . . . 4034 1 487 . 1 1 72 72 MET N N 15 120.61 0.04 . 1 . . . . . . . . 4034 1 488 . 1 1 72 72 MET H H 1 8.09 0.02 . 1 . . . . . . . . 4034 1 489 . 1 1 72 72 MET HA H 1 4.22 0.02 . 1 . . . . . . . . 4034 1 490 . 1 1 72 72 MET HB2 H 1 0.99 0.02 . 2 . . . . . . . . 4034 1 491 . 1 1 72 72 MET HB3 H 1 0.72 0.02 . 2 . . . . . . . . 4034 1 492 . 1 1 72 72 MET HG2 H 1 2.28 0.02 . 1 . . . . . . . . 4034 1 493 . 1 1 72 72 MET HG3 H 1 2.28 0.02 . 1 . . . . . . . . 4034 1 494 . 1 1 73 73 LEU CA C 13 54.3 0.03 . 1 . . . . . . . . 4034 1 495 . 1 1 73 73 LEU N N 15 124.12 0.04 . 1 . . . . . . . . 4034 1 496 . 1 1 73 73 LEU H H 1 8.55 0.02 . 1 . . . . . . . . 4034 1 497 . 1 1 73 73 LEU HA H 1 4.53 0.02 . 1 . . . . . . . . 4034 1 498 . 1 1 73 73 LEU HB2 H 1 1.66 0.02 . 1 . . . . . . . . 4034 1 499 . 1 1 73 73 LEU HB3 H 1 1.66 0.02 . 1 . . . . . . . . 4034 1 500 . 1 1 73 73 LEU HG H 1 1.44 0.02 . 1 . . . . . . . . 4034 1 501 . 1 1 73 73 LEU HD11 H 1 0.88 0.02 . 2 . . . . . . . . 4034 1 502 . 1 1 73 73 LEU HD12 H 1 0.88 0.02 . 2 . . . . . . . . 4034 1 503 . 1 1 73 73 LEU HD13 H 1 0.88 0.02 . 2 . . . . . . . . 4034 1 504 . 1 1 73 73 LEU HD21 H 1 0.71 0.02 . 2 . . . . . . . . 4034 1 505 . 1 1 73 73 LEU HD22 H 1 0.71 0.02 . 2 . . . . . . . . 4034 1 506 . 1 1 73 73 LEU HD23 H 1 0.71 0.02 . 2 . . . . . . . . 4034 1 507 . 1 1 74 74 LYS CA C 13 59.24 0.03 . 1 . . . . . . . . 4034 1 508 . 1 1 74 74 LYS N N 15 125.63 0.04 . 1 . . . . . . . . 4034 1 509 . 1 1 74 74 LYS H H 1 8.82 0.02 . 1 . . . . . . . . 4034 1 510 . 1 1 74 74 LYS HA H 1 4.11 0.02 . 1 . . . . . . . . 4034 1 511 . 1 1 74 74 LYS HB2 H 1 1.81 0.02 . 1 . . . . . . . . 4034 1 512 . 1 1 74 74 LYS HB3 H 1 1.81 0.02 . 1 . . . . . . . . 4034 1 513 . 1 1 75 75 GLU CA C 13 58.12 0.03 . 1 . . . . . . . . 4034 1 514 . 1 1 75 75 GLU N N 15 118.54 0.04 . 1 . . . . . . . . 4034 1 515 . 1 1 75 75 GLU H H 1 9.12 0.02 . 1 . . . . . . . . 4034 1 516 . 1 1 75 75 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 4034 1 517 . 1 1 75 75 GLU HB2 H 1 2.03 0.02 . 1 . . . . . . . . 4034 1 518 . 1 1 75 75 GLU HB3 H 1 2.03 0.02 . 1 . . . . . . . . 4034 1 519 . 1 1 75 75 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 4034 1 520 . 1 1 75 75 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 4034 1 521 . 1 1 76 76 GLY CA C 13 45.97 0.03 . 1 . . . . . . . . 4034 1 522 . 1 1 76 76 GLY N N 15 107.2 0.04 . 1 . . . . . . . . 4034 1 523 . 1 1 76 76 GLY H H 1 8.08 0.02 . 1 . . . . . . . . 4034 1 524 . 1 1 76 76 GLY HA2 H 1 4.07 0.02 . 2 . . . . . . . . 4034 1 525 . 1 1 76 76 GLY HA3 H 1 3.89 0.02 . 2 . . . . . . . . 4034 1 526 . 1 1 77 77 VAL CA C 13 63.00 0.03 . 1 . . . . . . . . 4034 1 527 . 1 1 77 77 VAL N N 15 120.14 0.04 . 1 . . . . . . . . 4034 1 528 . 1 1 77 77 VAL H H 1 7.39 0.02 . 1 . . . . . . . . 4034 1 529 . 1 1 77 77 VAL HA H 1 3.92 0.02 . 1 . . . . . . . . 4034 1 530 . 1 1 77 77 VAL HB H 1 2.00 0.02 . 1 . . . . . . . . 4034 1 531 . 1 1 77 77 VAL HG11 H 1 0.88 0.02 . 2 . . . . . . . . 4034 1 532 . 1 1 77 77 VAL HG12 H 1 0.88 0.02 . 2 . . . . . . . . 4034 1 533 . 1 1 77 77 VAL HG13 H 1 0.88 0.02 . 2 . . . . . . . . 4034 1 534 . 1 1 77 77 VAL HG21 H 1 0.56 0.02 . 2 . . . . . . . . 4034 1 535 . 1 1 77 77 VAL HG22 H 1 0.56 0.02 . 2 . . . . . . . . 4034 1 536 . 1 1 77 77 VAL HG23 H 1 0.56 0.02 . 2 . . . . . . . . 4034 1 537 . 1 1 78 78 ARG CA C 13 56.61 0.03 . 1 . . . . . . . . 4034 1 538 . 1 1 78 78 ARG N N 15 124.2 0.04 . 1 . . . . . . . . 4034 1 539 . 1 1 78 78 ARG H H 1 8.1 0.02 . 1 . . . . . . . . 4034 1 540 . 1 1 78 78 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 4034 1 541 . 1 1 78 78 ARG HB2 H 1 1.83 0.02 . 1 . . . . . . . . 4034 1 542 . 1 1 78 78 ARG HB3 H 1 1.83 0.02 . 1 . . . . . . . . 4034 1 543 . 1 1 79 79 LEU CA C 13 55.11 0.03 . 1 . . . . . . . . 4034 1 544 . 1 1 79 79 LEU N N 15 123.1 0.04 . 1 . . . . . . . . 4034 1 545 . 1 1 79 79 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 4034 1 546 . 1 1 79 79 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 4034 1 547 . 1 1 79 79 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4034 1 548 . 1 1 79 79 LEU HB3 H 1 1.61 0.02 . 2 . . . . . . . . 4034 1 549 . 1 1 80 80 ASP CA C 13 54.6 0.03 . 1 . . . . . . . . 4034 1 550 . 1 1 80 80 ASP N N 15 120.85 0.04 . 1 . . . . . . . . 4034 1 551 . 1 1 80 80 ASP H H 1 8.27 0.02 . 1 . . . . . . . . 4034 1 552 . 1 1 80 80 ASP HA H 1 4.58 0.02 . 1 . . . . . . . . 4034 1 553 . 1 1 80 80 ASP HB2 H 1 2.69 0.02 . 1 . . . . . . . . 4034 1 554 . 1 1 80 80 ASP HB3 H 1 2.69 0.02 . 1 . . . . . . . . 4034 1 555 . 1 1 81 81 ARG CA C 13 56.27 0.03 . 1 . . . . . . . . 4034 1 556 . 1 1 81 81 ARG N N 15 120.55 0.04 . 1 . . . . . . . . 4034 1 557 . 1 1 81 81 ARG H H 1 8.13 0.02 . 1 . . . . . . . . 4034 1 558 . 1 1 81 81 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 4034 1 559 . 1 1 81 81 ARG HB2 H 1 1.83 0.02 . 2 . . . . . . . . 4034 1 560 . 1 1 81 81 ARG HB3 H 1 1.77 0.02 . 2 . . . . . . . . 4034 1 561 . 1 1 82 82 VAL CA C 13 62.74 0.03 . 1 . . . . . . . . 4034 1 562 . 1 1 82 82 VAL N N 15 120.59 0.04 . 1 . . . . . . . . 4034 1 563 . 1 1 82 82 VAL H H 1 8.09 0.02 . 1 . . . . . . . . 4034 1 564 . 1 1 82 82 VAL HA H 1 4.09 0.02 . 1 . . . . . . . . 4034 1 565 . 1 1 82 82 VAL HB H 1 2.09 0.02 . 1 . . . . . . . . 4034 1 566 . 1 1 82 82 VAL HG11 H 1 0.95 0.02 . 1 . . . . . . . . 4034 1 567 . 1 1 82 82 VAL HG12 H 1 0.95 0.02 . 1 . . . . . . . . 4034 1 568 . 1 1 82 82 VAL HG13 H 1 0.95 0.02 . 1 . . . . . . . . 4034 1 569 . 1 1 82 82 VAL HG21 H 1 0.95 0.02 . 1 . . . . . . . . 4034 1 570 . 1 1 82 82 VAL HG22 H 1 0.95 0.02 . 1 . . . . . . . . 4034 1 571 . 1 1 82 82 VAL HG23 H 1 0.95 0.02 . 1 . . . . . . . . 4034 1 572 . 1 1 83 83 ARG CA C 13 56.44 0.03 . 1 . . . . . . . . 4034 1 573 . 1 1 83 83 ARG N N 15 124.6 0.04 . 1 . . . . . . . . 4034 1 574 . 1 1 83 83 ARG H H 1 8.43 0.02 . 1 . . . . . . . . 4034 1 575 . 1 1 83 83 ARG HA H 1 4.34 0.02 . 1 . . . . . . . . 4034 1 576 . 1 1 83 83 ARG HB2 H 1 1.81 0.02 . 1 . . . . . . . . 4034 1 577 . 1 1 83 83 ARG HB3 H 1 1.81 0.02 . 1 . . . . . . . . 4034 1 578 . 1 1 84 84 GLY CA C 13 45.49 0.03 . 1 . . . . . . . . 4034 1 579 . 1 1 84 84 GLY N N 15 110.11 0.04 . 1 . . . . . . . . 4034 1 580 . 1 1 84 84 GLY H H 1 8.43 0.02 . 1 . . . . . . . . 4034 1 581 . 1 1 84 84 GLY HA2 H 1 4.00 0.02 . 1 . . . . . . . . 4034 1 582 . 1 1 84 84 GLY HA3 H 1 4.00 0.02 . 1 . . . . . . . . 4034 1 583 . 1 1 85 85 GLY CA C 13 45.42 0.03 . 1 . . . . . . . . 4034 1 584 . 1 1 85 85 GLY N N 15 108.63 0.04 . 1 . . . . . . . . 4034 1 585 . 1 1 85 85 GLY H H 1 8.27 0.02 . 1 . . . . . . . . 4034 1 586 . 1 1 85 85 GLY HA2 H 1 3.99 0.02 . 1 . . . . . . . . 4034 1 587 . 1 1 85 85 GLY HA3 H 1 3.99 0.02 . 1 . . . . . . . . 4034 1 588 . 1 1 86 86 ARG CA C 13 56.34 0.03 . 1 . . . . . . . . 4034 1 589 . 1 1 86 86 ARG N N 15 120.4 0.04 . 1 . . . . . . . . 4034 1 590 . 1 1 86 86 ARG H H 1 8.27 0.02 . 1 . . . . . . . . 4034 1 591 . 1 1 86 86 ARG HA H 1 4.32 0.02 . 1 . . . . . . . . 4034 1 592 . 1 1 86 86 ARG HB2 H 1 1.79 0.02 . 1 . . . . . . . . 4034 1 593 . 1 1 86 86 ARG HB3 H 1 1.79 0.02 . 1 . . . . . . . . 4034 1 594 . 1 1 87 87 GLN CA C 13 56.09 0.03 . 1 . . . . . . . . 4034 1 595 . 1 1 87 87 GLN N N 15 121.27 0.04 . 1 . . . . . . . . 4034 1 596 . 1 1 87 87 GLN H H 1 8.41 0.02 . 1 . . . . . . . . 4034 1 597 . 1 1 87 87 GLN HA H 1 4.29 0.02 . 1 . . . . . . . . 4034 1 598 . 1 1 87 87 GLN HB2 H 1 2.00 0.02 . 1 . . . . . . . . 4034 1 599 . 1 1 87 87 GLN HB3 H 1 2.00 0.02 . 1 . . . . . . . . 4034 1 600 . 1 1 88 88 LYS CA C 13 56.61 0.03 . 1 . . . . . . . . 4034 1 601 . 1 1 88 88 LYS N N 15 122.26 0.04 . 1 . . . . . . . . 4034 1 602 . 1 1 88 88 LYS H H 1 8.26 0.02 . 1 . . . . . . . . 4034 1 603 . 1 1 88 88 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 4034 1 604 . 1 1 88 88 LYS HB2 H 1 1.65 0.02 . 1 . . . . . . . . 4034 1 605 . 1 1 88 88 LYS HB3 H 1 1.65 0.02 . 1 . . . . . . . . 4034 1 606 . 1 1 89 89 TYR CA C 13 58.65 0.03 . 1 . . . . . . . . 4034 1 607 . 1 1 89 89 TYR N N 15 120.59 0.04 . 1 . . . . . . . . 4034 1 608 . 1 1 89 89 TYR H H 1 8.09 0.02 . 1 . . . . . . . . 4034 1 609 . 1 1 89 89 TYR HA H 1 4.58 0.02 . 1 . . . . . . . . 4034 1 610 . 1 1 89 89 TYR HB2 H 1 3.02 0.02 . 2 . . . . . . . . 4034 1 611 . 1 1 89 89 TYR HB3 H 1 2.92 0.02 . 2 . . . . . . . . 4034 1 612 . 1 1 89 89 TYR HD1 H 1 7.09 0.02 . 1 . . . . . . . . 4034 1 613 . 1 1 89 89 TYR HD2 H 1 7.09 0.02 . 1 . . . . . . . . 4034 1 614 . 1 1 89 89 TYR HE1 H 1 6.82 0.02 . 1 . . . . . . . . 4034 1 615 . 1 1 89 89 TYR HE2 H 1 6.82 0.02 . 1 . . . . . . . . 4034 1 616 . 1 1 90 90 LYS CA C 13 56.17 0.03 . 1 . . . . . . . . 4034 1 617 . 1 1 90 90 LYS N N 15 123.62 0.04 . 1 . . . . . . . . 4034 1 618 . 1 1 90 90 LYS H H 1 8.13 0.02 . 1 . . . . . . . . 4034 1 619 . 1 1 90 90 LYS HA H 1 4.24 0.02 . 1 . . . . . . . . 4034 1 620 . 1 1 90 90 LYS HB2 H 1 1.76 0.02 . 2 . . . . . . . . 4034 1 621 . 1 1 90 90 LYS HB3 H 1 1.68 0.02 . 2 . . . . . . . . 4034 1 622 . 1 1 90 90 LYS HG2 H 1 1.36 0.02 . 1 . . . . . . . . 4034 1 623 . 1 1 90 90 LYS HG3 H 1 1.36 0.02 . 1 . . . . . . . . 4034 1 624 . 1 1 91 91 ARG CA C 13 56.05 0.03 . 1 . . . . . . . . 4034 1 625 . 1 1 91 91 ARG N N 15 122.8 0.04 . 1 . . . . . . . . 4034 1 626 . 1 1 91 91 ARG H H 1 8.24 0.02 . 1 . . . . . . . . 4034 1 627 . 1 1 91 91 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 4034 1 628 . 1 1 91 91 ARG HB2 H 1 1.78 0.02 . 1 . . . . . . . . 4034 1 629 . 1 1 91 91 ARG HB3 H 1 1.78 0.02 . 1 . . . . . . . . 4034 1 630 . 1 1 92 92 ARG CA C 13 56.06 0.03 . 1 . . . . . . . . 4034 1 631 . 1 1 92 92 ARG N N 15 128.8 0.04 . 1 . . . . . . . . 4034 1 632 . 1 1 92 92 ARG H H 1 8.45 0.02 . 1 . . . . . . . . 4034 1 633 . 1 1 92 92 ARG HA H 1 4.35 0.02 . 1 . . . . . . . . 4034 1 634 . 1 1 92 92 ARG HB2 H 1 1.67 0.02 . 1 . . . . . . . . 4034 1 635 . 1 1 92 92 ARG HB3 H 1 1.67 0.02 . 1 . . . . . . . . 4034 1 636 . 1 1 93 93 LEU CA C 13 55.25 0.03 . 1 . . . . . . . . 4034 1 637 . 1 1 93 93 LEU N N 15 123.65 0.04 . 1 . . . . . . . . 4034 1 638 . 1 1 93 93 LEU H H 1 8.44 0.02 . 1 . . . . . . . . 4034 1 639 . 1 1 93 93 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 4034 1 640 . 1 1 93 93 LEU HB2 H 1 1.64 0.02 . 1 . . . . . . . . 4034 1 641 . 1 1 93 93 LEU HB3 H 1 1.64 0.02 . 1 . . . . . . . . 4034 1 642 . 1 1 94 94 ASP CA C 13 54.67 0.03 . 1 . . . . . . . . 4034 1 643 . 1 1 94 94 ASP N N 15 120.59 0.04 . 1 . . . . . . . . 4034 1 644 . 1 1 94 94 ASP H H 1 8.37 0.02 . 1 . . . . . . . . 4034 1 645 . 1 1 94 94 ASP HA H 1 4.59 0.02 . 1 . . . . . . . . 4034 1 646 . 1 1 94 94 ASP HB2 H 1 2.68 0.02 . 1 . . . . . . . . 4034 1 647 . 1 1 94 94 ASP HB3 H 1 2.68 0.02 . 1 . . . . . . . . 4034 1 648 . 1 1 95 95 SER CA C 13 58.55 0.03 . 1 . . . . . . . . 4034 1 649 . 1 1 95 95 SER N N 15 114.42 0.04 . 1 . . . . . . . . 4034 1 650 . 1 1 95 95 SER H H 1 8.06 0.02 . 1 . . . . . . . . 4034 1 651 . 1 1 95 95 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 4034 1 652 . 1 1 95 95 SER HB2 H 1 3.93 0.02 . 2 . . . . . . . . 4034 1 653 . 1 1 95 95 SER HB3 H 1 3.88 0.02 . 2 . . . . . . . . 4034 1 654 . 1 1 96 96 GLU CA C 13 56.91 0.03 . 1 . . . . . . . . 4034 1 655 . 1 1 96 96 GLU N N 15 122.12 0.04 . 1 . . . . . . . . 4034 1 656 . 1 1 96 96 GLU H H 1 8.36 0.02 . 1 . . . . . . . . 4034 1 657 . 1 1 96 96 GLU HA H 1 4.33 0.02 . 1 . . . . . . . . 4034 1 658 . 1 1 96 96 GLU HB2 H 1 2.09 0.02 . 2 . . . . . . . . 4034 1 659 . 1 1 96 96 GLU HB3 H 1 2.00 0.02 . 2 . . . . . . . . 4034 1 660 . 1 1 96 96 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 4034 1 661 . 1 1 96 96 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 4034 1 662 . 1 1 97 97 ASN CA C 13 53.31 0.03 . 1 . . . . . . . . 4034 1 663 . 1 1 97 97 ASN N N 15 119.35 0.04 . 1 . . . . . . . . 4034 1 664 . 1 1 97 97 ASN H H 1 8.33 0.02 . 1 . . . . . . . . 4034 1 665 . 1 1 97 97 ASN HA H 1 4.78 0.02 . 1 . . . . . . . . 4034 1 666 . 1 1 97 97 ASN HB2 H 1 2.89 0.02 . 2 . . . . . . . . 4034 1 667 . 1 1 97 97 ASN HB3 H 1 2.73 0.02 . 2 . . . . . . . . 4034 1 668 . 1 1 98 98 SER CA C 13 60.11 0.03 . 1 . . . . . . . . 4034 1 669 . 1 1 98 98 SER N N 15 121.43 0.04 . 1 . . . . . . . . 4034 1 670 . 1 1 98 98 SER H H 1 7.88 0.02 . 1 . . . . . . . . 4034 1 671 . 1 1 98 98 SER HA H 1 4.27 0.02 . 1 . . . . . . . . 4034 1 672 . 1 1 98 98 SER HB2 H 1 3.87 0.02 . 1 . . . . . . . . 4034 1 673 . 1 1 98 98 SER HB3 H 1 3.87 0.02 . 1 . . . . . . . . 4034 1 stop_ save_