data_15820 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15820 _Entry.Title ; RRM1 of hnRNPLL ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-24 _Entry.Accession_date 2008-06-24 _Entry.Last_release_date 2009-02-13 _Entry.Original_release_date 2009-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gottfried Otting . . . 15820 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15820 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 292 15820 '15N chemical shifts' 96 15820 '1H chemical shifts' 96 15820 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 . . 2009-02-13 2008-06-24 original author . 15820 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15820 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19100700 _Citation.Full_citation . _Citation.Title 'Memory T cell RNA rearrangement programmed by heterogeneous nuclear ribonucleoprotein hnRNPLL' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Immunity _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 6 _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 863 _Citation.Page_last 875 _Citation.Year 2008 _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 Zuopeng Wu . . . 15820 1 2 Xinying Jia . . . 15820 1 3 Laura 'de la Cruz' . . . 15820 1 4 Xun-Cheng Su . . . 15820 1 5 Bruz Marzolf . . . 15820 1 6 Pamela Troisch . . . 15820 1 7 Daniel Zak . . . 15820 1 8 Adam Hamilton . . . 15820 1 9 Belinda Whittle . . . 15820 1 10 Di Yu . . . 15820 1 11 Daniel Sheahan . . . 15820 1 12 Edward Bertram . . . 15820 1 13 Alan Alderem . . . 15820 1 14 Gottfried Otting . . . 15820 1 15 Christopher Goodnow . . . 15820 1 16 Gerard Hoyne . . . 15820 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15820 _Assembly.ID 1 _Assembly.Name 'RRM1 of hnRNPLL' _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 . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RRM1 of hnRNPLL' 1 $RRM1 A . yes native no no . . . 15820 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RRM1 _Entity.Sf_category entity _Entity.Sf_framecode RRM1 _Entity.Entry_ID 15820 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RRM1 _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 ; MHHHHHHMLSTEGGGSHHKV SVSPVVHVRGLCESVVEADL VEALEKFGTICYVMMMPFKR QALVEFENIDSAKECVTFAA DVPVYIAGQQAFFNYSTSKR ITRPGNTDDPSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 DBJ BAB28521 . "unnamed protein product [Mus musculus]" . . . . . 92.86 588 100.00 100.00 1.59e-64 . . . . 15820 1 2 no DBJ BAC28858 . "unnamed protein product [Mus musculus]" . . . . . 92.86 326 100.00 100.00 6.15e-68 . . . . 15820 1 3 no DBJ BAE02506 . "unnamed protein product [Macaca fascicularis]" . . . . . 52.68 437 98.31 98.31 2.17e-31 . . . . 15820 1 4 no DBJ BAE27500 . "unnamed protein product [Mus musculus]" . . . . . 92.86 670 100.00 100.00 1.69e-64 . . . . 15820 1 5 no DBJ BAE42243 . "unnamed protein product [Mus musculus]" . . . . . 52.68 172 100.00 100.00 1.91e-34 . . . . 15820 1 6 no EMBL CAH56358 . "hypothetical protein [Homo sapiens]" . . . . . 87.50 216 98.98 98.98 2.31e-63 . . . . 15820 1 7 no GB AAH08217 . "HNRPLL protein [Homo sapiens]" . . . . . 90.18 275 98.02 98.02 3.86e-64 . . . . 15820 1 8 no GB AAH12849 . "Hnrpll protein [Mus musculus]" . . . . . 92.86 594 100.00 100.00 1.06e-64 . . . . 15820 1 9 no GB AAH17480 . "Heterogeneous nuclear ribonucleoprotein L-like [Homo sapiens]" . . . . . 90.18 542 98.02 98.02 2.07e-61 . . . . 15820 1 10 no GB AAI23452 . "Heterogeneous nuclear ribonucleoprotein L-like [Bos taurus]" . . . . . 90.18 541 98.02 98.02 1.93e-61 . . . . 15820 1 11 no GB AAN76189 . "BLOCK24 variant [Homo sapiens]" . . . . . 90.18 537 98.02 98.02 2.23e-61 . . . . 15820 1 12 no REF NP_001070368 . "heterogeneous nuclear ribonucleoprotein L-like [Bos taurus]" . . . . . 90.18 541 98.02 98.02 1.93e-61 . . . . 15820 1 13 no REF NP_001136122 . "heterogeneous nuclear ribonucleoprotein L-like isoform 2 [Homo sapiens]" . . . . . 90.18 537 98.02 98.02 2.23e-61 . . . . 15820 1 14 no REF NP_001267087 . "heterogeneous nuclear ribonucleoprotein L-like [Pan troglodytes]" . . . . . 90.18 513 98.02 98.02 1.24e-61 . . . . 15820 1 15 no REF NP_612403 . "heterogeneous nuclear ribonucleoprotein L-like isoform 1 [Homo sapiens]" . . . . . 90.18 542 98.02 98.02 2.07e-61 . . . . 15820 1 16 no REF NP_659051 . "heterogeneous nuclear ribonucleoprotein L-like [Mus musculus]" . . . . . 92.86 591 100.00 100.00 9.71e-65 . . . . 15820 1 17 no SP Q8WVV9 . "RecName: Full=Heterogeneous nuclear ribonucleoprotein L-like; Short=hnRNPLL; AltName: Full=Stromal RNA-regulating factor" . . . . . 90.18 542 98.02 98.02 2.07e-61 . . . . 15820 1 18 no SP Q921F4 . "RecName: Full=Heterogeneous nuclear ribonucleoprotein L-like" . . . . . 92.86 591 100.00 100.00 9.71e-65 . . . . 15820 1 19 no TPG DAA24711 . "TPA: heterogeneous nuclear ribonucleoprotein L-like [Bos taurus]" . . . . . 90.18 541 98.02 98.02 1.93e-61 . . . . 15820 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 -7 MET . 15820 1 2 -6 HIS . 15820 1 3 -5 HIS . 15820 1 4 -4 HIS . 15820 1 5 -3 HIS . 15820 1 6 -2 HIS . 15820 1 7 -1 HIS . 15820 1 8 0 MET . 15820 1 9 110 LEU . 15820 1 10 111 SER . 15820 1 11 112 THR . 15820 1 12 113 GLU . 15820 1 13 114 GLY . 15820 1 14 115 GLY . 15820 1 15 116 GLY . 15820 1 16 117 SER . 15820 1 17 118 HIS . 15820 1 18 119 HIS . 15820 1 19 120 LYS . 15820 1 20 121 VAL . 15820 1 21 122 SER . 15820 1 22 123 VAL . 15820 1 23 124 SER . 15820 1 24 125 PRO . 15820 1 25 126 VAL . 15820 1 26 127 VAL . 15820 1 27 128 HIS . 15820 1 28 129 VAL . 15820 1 29 130 ARG . 15820 1 30 131 GLY . 15820 1 31 132 LEU . 15820 1 32 133 CYS . 15820 1 33 134 GLU . 15820 1 34 135 SER . 15820 1 35 136 VAL . 15820 1 36 137 VAL . 15820 1 37 138 GLU . 15820 1 38 139 ALA . 15820 1 39 140 ASP . 15820 1 40 141 LEU . 15820 1 41 142 VAL . 15820 1 42 143 GLU . 15820 1 43 144 ALA . 15820 1 44 145 LEU . 15820 1 45 146 GLU . 15820 1 46 147 LYS . 15820 1 47 148 PHE . 15820 1 48 149 GLY . 15820 1 49 150 THR . 15820 1 50 151 ILE . 15820 1 51 152 CYS . 15820 1 52 153 TYR . 15820 1 53 154 VAL . 15820 1 54 155 MET . 15820 1 55 156 MET . 15820 1 56 157 MET . 15820 1 57 158 PRO . 15820 1 58 159 PHE . 15820 1 59 160 LYS . 15820 1 60 161 ARG . 15820 1 61 162 GLN . 15820 1 62 163 ALA . 15820 1 63 164 LEU . 15820 1 64 165 VAL . 15820 1 65 166 GLU . 15820 1 66 167 PHE . 15820 1 67 168 GLU . 15820 1 68 169 ASN . 15820 1 69 170 ILE . 15820 1 70 171 ASP . 15820 1 71 172 SER . 15820 1 72 173 ALA . 15820 1 73 174 LYS . 15820 1 74 175 GLU . 15820 1 75 176 CYS . 15820 1 76 177 VAL . 15820 1 77 178 THR . 15820 1 78 179 PHE . 15820 1 79 180 ALA . 15820 1 80 181 ALA . 15820 1 81 182 ASP . 15820 1 82 183 VAL . 15820 1 83 184 PRO . 15820 1 84 185 VAL . 15820 1 85 186 TYR . 15820 1 86 187 ILE . 15820 1 87 188 ALA . 15820 1 88 189 GLY . 15820 1 89 190 GLN . 15820 1 90 191 GLN . 15820 1 91 192 ALA . 15820 1 92 193 PHE . 15820 1 93 194 PHE . 15820 1 94 195 ASN . 15820 1 95 196 TYR . 15820 1 96 197 SER . 15820 1 97 198 THR . 15820 1 98 199 SER . 15820 1 99 200 LYS . 15820 1 100 201 ARG . 15820 1 101 202 ILE . 15820 1 102 203 THR . 15820 1 103 204 ARG . 15820 1 104 205 PRO . 15820 1 105 206 GLY . 15820 1 106 207 ASN . 15820 1 107 208 THR . 15820 1 108 209 ASP . 15820 1 109 210 ASP . 15820 1 110 211 PRO . 15820 1 111 212 SER . 15820 1 112 213 GLY . 15820 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15820 1 . HIS 2 2 15820 1 . HIS 3 3 15820 1 . HIS 4 4 15820 1 . HIS 5 5 15820 1 . HIS 6 6 15820 1 . HIS 7 7 15820 1 . MET 8 8 15820 1 . LEU 9 9 15820 1 . SER 10 10 15820 1 . THR 11 11 15820 1 . GLU 12 12 15820 1 . GLY 13 13 15820 1 . GLY 14 14 15820 1 . GLY 15 15 15820 1 . SER 16 16 15820 1 . HIS 17 17 15820 1 . HIS 18 18 15820 1 . LYS 19 19 15820 1 . VAL 20 20 15820 1 . SER 21 21 15820 1 . VAL 22 22 15820 1 . SER 23 23 15820 1 . PRO 24 24 15820 1 . VAL 25 25 15820 1 . VAL 26 26 15820 1 . HIS 27 27 15820 1 . VAL 28 28 15820 1 . ARG 29 29 15820 1 . GLY 30 30 15820 1 . LEU 31 31 15820 1 . CYS 32 32 15820 1 . GLU 33 33 15820 1 . SER 34 34 15820 1 . VAL 35 35 15820 1 . VAL 36 36 15820 1 . GLU 37 37 15820 1 . ALA 38 38 15820 1 . ASP 39 39 15820 1 . LEU 40 40 15820 1 . VAL 41 41 15820 1 . GLU 42 42 15820 1 . ALA 43 43 15820 1 . LEU 44 44 15820 1 . GLU 45 45 15820 1 . LYS 46 46 15820 1 . PHE 47 47 15820 1 . GLY 48 48 15820 1 . THR 49 49 15820 1 . ILE 50 50 15820 1 . CYS 51 51 15820 1 . TYR 52 52 15820 1 . VAL 53 53 15820 1 . MET 54 54 15820 1 . MET 55 55 15820 1 . MET 56 56 15820 1 . PRO 57 57 15820 1 . PHE 58 58 15820 1 . LYS 59 59 15820 1 . ARG 60 60 15820 1 . GLN 61 61 15820 1 . ALA 62 62 15820 1 . LEU 63 63 15820 1 . VAL 64 64 15820 1 . GLU 65 65 15820 1 . PHE 66 66 15820 1 . GLU 67 67 15820 1 . ASN 68 68 15820 1 . ILE 69 69 15820 1 . ASP 70 70 15820 1 . SER 71 71 15820 1 . ALA 72 72 15820 1 . LYS 73 73 15820 1 . GLU 74 74 15820 1 . CYS 75 75 15820 1 . VAL 76 76 15820 1 . THR 77 77 15820 1 . PHE 78 78 15820 1 . ALA 79 79 15820 1 . ALA 80 80 15820 1 . ASP 81 81 15820 1 . VAL 82 82 15820 1 . PRO 83 83 15820 1 . VAL 84 84 15820 1 . TYR 85 85 15820 1 . ILE 86 86 15820 1 . ALA 87 87 15820 1 . GLY 88 88 15820 1 . GLN 89 89 15820 1 . GLN 90 90 15820 1 . ALA 91 91 15820 1 . PHE 92 92 15820 1 . PHE 93 93 15820 1 . ASN 94 94 15820 1 . TYR 95 95 15820 1 . SER 96 96 15820 1 . THR 97 97 15820 1 . SER 98 98 15820 1 . LYS 99 99 15820 1 . ARG 100 100 15820 1 . ILE 101 101 15820 1 . THR 102 102 15820 1 . ARG 103 103 15820 1 . PRO 104 104 15820 1 . GLY 105 105 15820 1 . ASN 106 106 15820 1 . THR 107 107 15820 1 . ASP 108 108 15820 1 . ASP 109 109 15820 1 . PRO 110 110 15820 1 . SER 111 111 15820 1 . GLY 112 112 15820 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 15820 _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 $RRM1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15820 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 15820 _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 $RRM1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETMCSIII . . . . . . 15820 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15820 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RRM1 '[U-100% 13C; U-100% 15N]' . . 1 $RRM1 . . 0.5-0.8 . . mM . . . . 15820 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15820 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15820 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15820 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RRM1 '[U-100% 15N]' . . 1 $RRM1 . . 0.5-0.8 . . mM . . . . 15820 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15820 2 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15820 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15820 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 15820 1 pH 7.2 . pH 15820 1 pressure 1 . atm 15820 1 temperature 298 . K 15820 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15820 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15820 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15820 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15820 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15820 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15820 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 15820 1 2 spectrometer_2 Bruker Avance . 600 . . . 15820 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 15820 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15820 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15820 1 3 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15820 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15820 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15820 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15820 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15820 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15820 1 9 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15820 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15820 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15820 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15820 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15820 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15820 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '3D HNCO' . . . 15820 1 5 '3D HNCA' . . . 15820 1 9 '3D HNCACB' . . . 15820 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 9 9 LEU H H 1 8.192 0.000 . 1 . . . . 110 LEU HN . 15820 1 2 . 1 1 9 9 LEU C C 13 173.811 0.000 . . . . . . 110 LEU C . 15820 1 3 . 1 1 9 9 LEU CA C 13 60.225 0.000 . . . . . . 110 LEU CA . 15820 1 4 . 1 1 9 9 LEU CB C 13 31.643 0.000 . . . . . . 110 LEU CB . 15820 1 5 . 1 1 9 9 LEU N N 15 122.713 0.000 . . . . . . 110 LEU N . 15820 1 6 . 1 1 10 10 SER H H 1 8.544 0.002 . 1 . . . . 111 SER HN . 15820 1 7 . 1 1 10 10 SER C C 13 172.329 0.000 . . . . . . 111 SER C . 15820 1 8 . 1 1 10 10 SER CA C 13 55.660 0.000 . . . . . . 111 SER CA . 15820 1 9 . 1 1 10 10 SER CB C 13 60.991 0.000 . . . . . . 111 SER CB . 15820 1 10 . 1 1 10 10 SER N N 15 116.137 0.000 . . . . . . 111 SER N . 15820 1 11 . 1 1 11 11 THR H H 1 8.092 0.001 . 1 . . . . 112 THR HN . 15820 1 12 . 1 1 11 11 THR C C 13 172.145 0.000 . . . . . . 112 THR C . 15820 1 13 . 1 1 11 11 THR CA C 13 57.805 1.720 . . . . . . 112 THR CA . 15820 1 14 . 1 1 11 11 THR CB C 13 66.718 0.000 . . . . . . 112 THR CB . 15820 1 15 . 1 1 11 11 THR N N 15 115.041 0.000 . . . . . . 112 THR N . 15820 1 16 . 1 1 12 12 GLU H H 1 8.290 0.080 . 1 . . . . 113 GLU HN . 15820 1 17 . 1 1 12 12 GLU C C 13 174.338 0.000 . . . . . . 113 GLU C . 15820 1 18 . 1 1 12 12 GLU CA C 13 54.027 0.028 . . . . . . 113 GLU CA . 15820 1 19 . 1 1 12 12 GLU CB C 13 27.268 0.000 . . . . . . 113 GLU CB . 15820 1 20 . 1 1 12 12 GLU N N 15 122.713 3.084 . . . . . . 113 GLU N . 15820 1 21 . 1 1 13 13 GLY H H 1 8.371 0.004 . 1 . . . . 114 GLY HN . 15820 1 22 . 1 1 13 13 GLY C C 13 172.112 0.000 . . . . . . 114 GLY C . 15820 1 23 . 1 1 13 13 GLY CA C 13 42.554 0.111 . . . . . . 114 GLY CA . 15820 1 24 . 1 1 13 13 GLY N N 15 109.835 0.000 . . . . . . 114 GLY N . 15820 1 25 . 1 1 14 14 GLY H H 1 8.248 0.004 . 1 . . . . 115 GLY HN . 15820 1 26 . 1 1 14 14 GLY CA C 13 42.507 0.000 . . . . . . 115 GLY CA . 15820 1 27 . 1 1 14 14 GLY N N 15 108.466 0.000 . . . . . . 115 GLY N . 15820 1 28 . 1 1 17 17 HIS C C 13 174.354 0.000 . . . . . . 118 HIS C . 15820 1 29 . 1 1 17 17 HIS CA C 13 51.798 0.019 . . . . . . 118 HIS CA . 15820 1 30 . 1 1 17 17 HIS CB C 13 28.524 0.222 . . . . . . 118 HIS CB . 15820 1 31 . 1 1 18 18 HIS H H 1 8.054 0.003 . 1 . . . . 119 HIS HN . 15820 1 32 . 1 1 18 18 HIS C C 13 172.414 0.000 . . . . . . 119 HIS C . 15820 1 33 . 1 1 18 18 HIS CA C 13 52.864 0.080 . . . . . . 119 HIS CA . 15820 1 34 . 1 1 18 18 HIS CB C 13 28.373 0.000 . . . . . . 119 HIS CB . 15820 1 35 . 1 1 18 18 HIS N N 15 119.699 0.159 . . . . . . 119 HIS N . 15820 1 36 . 1 1 19 19 LYS H H 1 8.188 0.003 . 1 . . . . 120 LYS HN . 15820 1 37 . 1 1 19 19 LYS C C 13 173.323 0.000 . . . . . . 120 LYS C . 15820 1 38 . 1 1 19 19 LYS CA C 13 52.989 0.305 . . . . . . 120 LYS CA . 15820 1 39 . 1 1 19 19 LYS CB C 13 30.086 0.125 . . . . . . 120 LYS CB . 15820 1 40 . 1 1 19 19 LYS N N 15 122.713 0.000 . . . . . . 120 LYS N . 15820 1 41 . 1 1 20 20 VAL H H 1 8.111 0.003 . 1 . . . . 121 VAL HN . 15820 1 42 . 1 1 20 20 VAL C C 13 172.989 0.000 . . . . . . 121 VAL C . 15820 1 43 . 1 1 20 20 VAL CA C 13 59.154 0.097 . . . . . . 121 VAL CA . 15820 1 44 . 1 1 20 20 VAL CB C 13 30.360 0.068 . . . . . . 121 VAL CB . 15820 1 45 . 1 1 20 20 VAL N N 15 122.439 0.159 . . . . . . 121 VAL N . 15820 1 46 . 1 1 21 21 SER H H 1 8.242 0.003 . 1 . . . . 122 SER HN . 15820 1 47 . 1 1 21 21 SER C C 13 170.634 0.000 . . . . . . 122 SER C . 15820 1 48 . 1 1 21 21 SER CA C 13 55.049 0.057 . . . . . . 122 SER CA . 15820 1 49 . 1 1 21 21 SER CB C 13 61.150 0.000 . . . . . . 122 SER CB . 15820 1 50 . 1 1 21 21 SER N N 15 120.795 0.000 . . . . . . 122 SER N . 15820 1 51 . 1 1 22 22 VAL H H 1 7.583 0.002 . 1 . . . . 123 VAL HN . 15820 1 52 . 1 1 22 22 VAL C C 13 171.695 0.000 . . . . . . 123 VAL C . 15820 1 53 . 1 1 22 22 VAL CA C 13 59.864 0.000 . . . . . . 123 VAL CA . 15820 1 54 . 1 1 22 22 VAL CB C 13 29.062 0.035 . . . . . . 123 VAL CB . 15820 1 55 . 1 1 22 22 VAL N N 15 119.699 0.000 . . . . . . 123 VAL N . 15820 1 56 . 1 1 23 23 SER H H 1 6.445 0.006 . 1 . . . . 124 SER HN . 15820 1 57 . 1 1 23 23 SER CA C 13 50.335 0.013 . . . . . . 124 SER CA . 15820 1 58 . 1 1 23 23 SER CB C 13 64.372 0.039 . . . . . . 124 SER CB . 15820 1 59 . 1 1 23 23 SER N N 15 118.603 0.157 . . . . . . 124 SER N . 15820 1 60 . 1 1 24 24 PRO C C 13 172.220 0.000 . . . . . . 125 PRO C . 15820 1 61 . 1 1 24 24 PRO CA C 13 61.339 0.000 . . . . . . 125 PRO CA . 15820 1 62 . 1 1 24 24 PRO CB C 13 28.859 0.000 . . . . . . 125 PRO CB . 15820 1 63 . 1 1 25 25 VAL H H 1 8.360 0.004 . 1 . . . . 126 VAL HN . 15820 1 64 . 1 1 25 25 VAL C C 13 172.035 0.000 . . . . . . 126 VAL C . 15820 1 65 . 1 1 25 25 VAL CA C 13 58.246 0.000 . . . . . . 126 VAL CA . 15820 1 66 . 1 1 25 25 VAL CB C 13 28.324 0.137 . . . . . . 126 VAL CB . 15820 1 67 . 1 1 25 25 VAL N N 15 118.603 0.000 . . . . . . 126 VAL N . 15820 1 68 . 1 1 26 26 VAL H H 1 9.555 0.002 . 1 . . . . 127 VAL HN . 15820 1 69 . 1 1 26 26 VAL C C 13 170.975 0.000 . . . . . . 127 VAL C . 15820 1 70 . 1 1 26 26 VAL CA C 13 58.246 0.000 . . . . . . 127 VAL CA . 15820 1 71 . 1 1 26 26 VAL CB C 13 31.841 0.040 . . . . . . 127 VAL CB . 15820 1 72 . 1 1 26 26 VAL N N 15 126.274 0.000 . . . . . . 127 VAL N . 15820 1 73 . 1 1 27 27 HIS H H 1 9.562 0.009 . 1 . . . . 128 HIS HN . 15820 1 74 . 1 1 27 27 HIS C C 13 171.443 0.000 . . . . . . 128 HIS C . 15820 1 75 . 1 1 27 27 HIS CA C 13 51.655 0.025 . . . . . . 128 HIS CA . 15820 1 76 . 1 1 27 27 HIS CB C 13 31.210 0.035 . . . . . . 128 HIS CB . 15820 1 77 . 1 1 27 27 HIS N N 15 128.466 0.161 . . . . . . 128 HIS N . 15820 1 78 . 1 1 28 28 VAL H H 1 9.380 0.000 . 1 . . . . 129 VAL HN . 15820 1 79 . 1 1 28 28 VAL C C 13 171.899 0.000 . . . . . . 129 VAL C . 15820 1 80 . 1 1 28 28 VAL CA C 13 58.056 0.000 . . . . . . 129 VAL CA . 15820 1 81 . 1 1 28 28 VAL CB C 13 30.439 0.011 . . . . . . 129 VAL CB . 15820 1 82 . 1 1 28 28 VAL N N 15 129.288 0.000 . . . . . . 129 VAL N . 15820 1 83 . 1 1 29 29 ARG H H 1 8.850 0.004 . 1 . . . . 130 ARG HN . 15820 1 84 . 1 1 29 29 ARG C C 13 172.260 0.000 . . . . . . 130 ARG C . 15820 1 85 . 1 1 29 29 ARG CA C 13 50.976 0.000 . . . . . . 130 ARG CA . 15820 1 86 . 1 1 29 29 ARG CB C 13 31.131 0.044 . . . . . . 130 ARG CB . 15820 1 87 . 1 1 29 29 ARG N N 15 123.534 0.000 . . . . . . 130 ARG N . 15820 1 88 . 1 1 30 30 GLY H H 1 8.886 0.003 . 1 . . . . 131 GLY HN . 15820 1 89 . 1 1 30 30 GLY C C 13 172.721 0.000 . . . . . . 131 GLY C . 15820 1 90 . 1 1 30 30 GLY CA C 13 42.830 0.000 . . . . . . 131 GLY CA . 15820 1 91 . 1 1 30 30 GLY N N 15 107.370 0.000 . . . . . . 131 GLY N . 15820 1 92 . 1 1 31 31 LEU H H 1 7.321 0.001 . 1 . . . . 132 LEU HN . 15820 1 93 . 1 1 31 31 LEU C C 13 174.165 0.000 . . . . . . 132 LEU C . 15820 1 94 . 1 1 31 31 LEU CA C 13 51.206 0.003 . . . . . . 132 LEU CA . 15820 1 95 . 1 1 31 31 LEU CB C 13 39.590 0.007 . . . . . . 132 LEU CB . 15820 1 96 . 1 1 31 31 LEU N N 15 117.233 0.000 . . . . . . 132 LEU N . 15820 1 97 . 1 1 32 32 CYS H H 1 8.439 0.003 . 1 . . . . 133 CYS HN . 15820 1 98 . 1 1 32 32 CYS C C 13 172.779 0.000 . . . . . . 133 CYS C . 15820 1 99 . 1 1 32 32 CYS CA C 13 55.025 0.033 . . . . . . 133 CYS CA . 15820 1 100 . 1 1 32 32 CYS CB C 13 25.112 0.009 . . . . . . 133 CYS CB . 15820 1 101 . 1 1 32 32 CYS N N 15 118.877 0.151 . . . . . . 133 CYS N . 15820 1 102 . 1 1 33 33 GLU H H 1 9.059 0.006 . 1 . . . . 134 GLU HN . 15820 1 103 . 1 1 33 33 GLU C C 13 173.898 0.000 . . . . . . 134 GLU C . 15820 1 104 . 1 1 33 33 GLU CA C 13 56.369 0.069 . . . . . . 134 GLU CA . 15820 1 105 . 1 1 33 33 GLU CB C 13 26.755 0.123 . . . . . . 134 GLU CB . 15820 1 106 . 1 1 33 33 GLU N N 15 122.713 0.160 . . . . . . 134 GLU N . 15820 1 107 . 1 1 34 34 SER H H 1 7.796 0.004 . 1 . . . . 135 SER HN . 15820 1 108 . 1 1 34 34 SER C C 13 171.704 0.000 . . . . . . 135 SER C . 15820 1 109 . 1 1 34 34 SER CA C 13 55.740 0.000 . . . . . . 135 SER CA . 15820 1 110 . 1 1 34 34 SER CB C 13 60.435 0.000 . . . . . . 135 SER CB . 15820 1 111 . 1 1 34 34 SER N N 15 111.753 0.000 . . . . . . 135 SER N . 15820 1 112 . 1 1 35 35 VAL H H 1 6.992 0.002 . 1 . . . . 136 VAL HN . 15820 1 113 . 1 1 35 35 VAL C C 13 172.097 0.000 . . . . . . 136 VAL C . 15820 1 114 . 1 1 35 35 VAL CA C 13 60.435 0.000 . . . . . . 136 VAL CA . 15820 1 115 . 1 1 35 35 VAL CB C 13 29.257 0.000 . . . . . . 136 VAL CB . 15820 1 116 . 1 1 35 35 VAL N N 15 122.439 0.000 . . . . . . 136 VAL N . 15820 1 117 . 1 1 36 36 VAL H H 1 8.702 0.001 . 1 . . . . 137 VAL HN . 15820 1 118 . 1 1 36 36 VAL C C 13 174.433 0.000 . . . . . . 137 VAL C . 15820 1 119 . 1 1 36 36 VAL CA C 13 56.438 0.000 . . . . . . 137 VAL CA . 15820 1 120 . 1 1 36 36 VAL CB C 13 32.438 0.000 . . . . . . 137 VAL CB . 15820 1 121 . 1 1 36 36 VAL N N 15 119.425 0.000 . . . . . . 137 VAL N . 15820 1 122 . 1 1 37 37 GLU H H 1 9.354 0.002 . 1 . . . . 138 GLU HN . 15820 1 123 . 1 1 37 37 GLU C C 13 175.846 0.000 . . . . . . 138 GLU C . 15820 1 124 . 1 1 37 37 GLU CA C 13 58.675 0.000 . . . . . . 138 GLU CA . 15820 1 125 . 1 1 37 37 GLU CB C 13 26.553 0.000 . . . . . . 138 GLU CB . 15820 1 126 . 1 1 37 37 GLU N N 15 123.534 0.000 . . . . . . 138 GLU N . 15820 1 127 . 1 1 38 38 ALA H H 1 8.522 0.003 . 1 . . . . 139 ALA HN . 15820 1 128 . 1 1 38 38 ALA C C 13 177.261 0.000 . . . . . . 139 ALA C . 15820 1 129 . 1 1 38 38 ALA CA C 13 52.394 0.000 . . . . . . 139 ALA CA . 15820 1 130 . 1 1 38 38 ALA CB C 13 15.656 0.000 . . . . . . 139 ALA CB . 15820 1 131 . 1 1 38 38 ALA N N 15 117.781 0.000 . . . . . . 139 ALA N . 15820 1 132 . 1 1 39 39 ASP H H 1 7.558 0.001 . 1 . . . . 140 ASP HN . 15820 1 133 . 1 1 39 39 ASP C C 13 176.840 0.000 . . . . . . 140 ASP C . 15820 1 134 . 1 1 39 39 ASP CA C 13 54.487 0.000 . . . . . . 140 ASP CA . 15820 1 135 . 1 1 39 39 ASP CB C 13 38.960 0.000 . . . . . . 140 ASP CB . 15820 1 136 . 1 1 39 39 ASP N N 15 115.589 0.000 . . . . . . 140 ASP N . 15820 1 137 . 1 1 40 40 LEU H H 1 7.273 0.006 . 1 . . . . 141 LEU HN . 15820 1 138 . 1 1 40 40 LEU C C 13 174.933 0.000 . . . . . . 141 LEU C . 15820 1 139 . 1 1 40 40 LEU CA C 13 55.487 0.000 . . . . . . 141 LEU CA . 15820 1 140 . 1 1 40 40 LEU CB C 13 38.732 0.000 . . . . . . 141 LEU CB . 15820 1 141 . 1 1 40 40 LEU N N 15 120.247 0.000 . . . . . . 141 LEU N . 15820 1 142 . 1 1 41 41 VAL H H 1 7.878 0.006 . 1 . . . . 142 VAL HN . 15820 1 143 . 1 1 41 41 VAL C C 13 174.793 0.000 . . . . . . 142 VAL C . 15820 1 144 . 1 1 41 41 VAL CA C 13 64.146 0.000 . . . . . . 142 VAL CA . 15820 1 145 . 1 1 41 41 VAL CB C 13 29.013 0.000 . . . . . . 142 VAL CB . 15820 1 146 . 1 1 41 41 VAL N N 15 118.603 0.000 . . . . . . 142 VAL N . 15820 1 147 . 1 1 42 42 GLU H H 1 7.933 0.008 . 1 . . . . 143 GLU HN . 15820 1 148 . 1 1 42 42 GLU C C 13 176.053 0.000 . . . . . . 143 GLU C . 15820 1 149 . 1 1 42 42 GLU CA C 13 56.438 0.000 . . . . . . 143 GLU CA . 15820 1 150 . 1 1 42 42 GLU CB C 13 26.759 0.000 . . . . . . 143 GLU CB . 15820 1 151 . 1 1 42 42 GLU N N 15 116.411 0.000 . . . . . . 143 GLU N . 15820 1 152 . 1 1 43 43 ALA H H 1 7.149 0.007 . 1 . . . . 144 ALA HN . 15820 1 153 . 1 1 43 43 ALA C C 13 176.154 0.000 . . . . . . 144 ALA C . 15820 1 154 . 1 1 43 43 ALA CA C 13 51.252 0.000 . . . . . . 144 ALA CA . 15820 1 155 . 1 1 43 43 ALA CB C 13 17.510 0.000 . . . . . . 144 ALA CB . 15820 1 156 . 1 1 43 43 ALA N N 15 116.959 0.000 . . . . . . 144 ALA N . 15820 1 157 . 1 1 44 44 LEU H H 1 7.846 0.001 . 1 . . . . 145 LEU HN . 15820 1 158 . 1 1 44 44 LEU C C 13 171.133 0.000 . . . . . . 145 LEU C . 15820 1 159 . 1 1 44 44 LEU CA C 13 52.377 0.031 . . . . . . 145 LEU CA . 15820 1 160 . 1 1 44 44 LEU CB C 13 40.360 0.000 . . . . . . 145 LEU CB . 15820 1 161 . 1 1 44 44 LEU N N 15 113.397 0.000 . . . . . . 145 LEU N . 15820 1 162 . 1 1 45 45 GLU H H 1 8.474 0.002 . 1 . . . . 146 GLU HN . 15820 1 163 . 1 1 45 45 GLU C C 13 175.173 0.000 . . . . . . 146 GLU C . 15820 1 164 . 1 1 45 45 GLU CA C 13 55.712 0.030 . . . . . . 146 GLU CA . 15820 1 165 . 1 1 45 45 GLU CB C 13 25.286 0.004 . . . . . . 146 GLU CB . 15820 1 166 . 1 1 45 45 GLU N N 15 120.795 0.158 . . . . . . 146 GLU N . 15820 1 167 . 1 1 46 46 LYS H H 1 7.537 0.003 . 1 . . . . 147 LYS HN . 15820 1 168 . 1 1 46 46 LYS C C 13 174.789 0.000 . . . . . . 147 LYS C . 15820 1 169 . 1 1 46 46 LYS CA C 13 54.773 0.000 . . . . . . 147 LYS CA . 15820 1 170 . 1 1 46 46 LYS CB C 13 27.691 0.000 . . . . . . 147 LYS CB . 15820 1 171 . 1 1 46 46 LYS N N 15 117.507 0.000 . . . . . . 147 LYS N . 15820 1 172 . 1 1 47 47 PHE H H 1 7.856 0.003 . 1 . . . . 148 PHE HN . 15820 1 173 . 1 1 47 47 PHE C C 13 172.808 0.000 . . . . . . 148 PHE C . 15820 1 174 . 1 1 47 47 PHE CA C 13 56.581 0.000 . . . . . . 148 PHE CA . 15820 1 175 . 1 1 47 47 PHE CB C 13 35.774 0.000 . . . . . . 148 PHE CB . 15820 1 176 . 1 1 47 47 PHE N N 15 117.781 0.000 . . . . . . 148 PHE N . 15820 1 177 . 1 1 48 48 GLY H H 1 7.548 0.000 . 1 . . . . 149 GLY HN . 15820 1 178 . 1 1 48 48 GLY C C 13 168.169 0.000 . . . . . . 149 GLY C . 15820 1 179 . 1 1 48 48 GLY CA C 13 41.498 0.000 . . . . . . 149 GLY CA . 15820 1 180 . 1 1 48 48 GLY N N 15 107.370 0.000 . . . . . . 149 GLY N . 15820 1 181 . 1 1 49 49 THR H H 1 8.056 0.001 . 1 . . . . 150 THR HN . 15820 1 182 . 1 1 49 49 THR C C 13 172.511 0.000 . . . . . . 150 THR C . 15820 1 183 . 1 1 49 49 THR CA C 13 61.434 0.000 . . . . . . 150 THR CA . 15820 1 184 . 1 1 49 49 THR CB C 13 67.019 0.000 . . . . . . 150 THR CB . 15820 1 185 . 1 1 49 49 THR N N 15 112.301 0.000 . . . . . . 150 THR N . 15820 1 186 . 1 1 50 50 ILE H H 1 9.112 0.003 . 1 . . . . 151 ILE HN . 15820 1 187 . 1 1 50 50 ILE C C 13 172.875 0.000 . . . . . . 151 ILE C . 15820 1 188 . 1 1 50 50 ILE CA C 13 58.627 0.000 . . . . . . 151 ILE CA . 15820 1 189 . 1 1 50 50 ILE CB C 13 37.173 0.000 . . . . . . 151 ILE CB . 15820 1 190 . 1 1 50 50 ILE N N 15 130.384 0.000 . . . . . . 151 ILE N . 15820 1 191 . 1 1 51 51 CYS H H 1 9.090 0.000 . 1 . . . . 152 CYS HN . 15820 1 192 . 1 1 51 51 CYS C C 13 171.654 0.000 . . . . . . 152 CYS C . 15820 1 193 . 1 1 51 51 CYS CA C 13 56.153 0.000 . . . . . . 152 CYS CA . 15820 1 194 . 1 1 51 51 CYS CB C 13 26.370 0.000 . . . . . . 152 CYS CB . 15820 1 195 . 1 1 51 51 CYS N N 15 124.356 0.000 . . . . . . 152 CYS N . 15820 1 196 . 1 1 52 52 TYR H H 1 7.546 0.004 . 1 . . . . 153 TYR HN . 15820 1 197 . 1 1 52 52 TYR C C 13 169.158 0.000 . . . . . . 153 TYR C . 15820 1 198 . 1 1 52 52 TYR CA C 13 56.606 0.000 . . . . . . 153 TYR CA . 15820 1 199 . 1 1 52 52 TYR CB C 13 39.350 0.000 . . . . . . 153 TYR CB . 15820 1 200 . 1 1 52 52 TYR N N 15 120.247 0.000 . . . . . . 153 TYR N . 15820 1 201 . 1 1 53 53 VAL H H 1 7.338 0.002 . 1 . . . . 154 VAL HN . 15820 1 202 . 1 1 53 53 VAL C C 13 170.332 0.000 . . . . . . 154 VAL C . 15820 1 203 . 1 1 53 53 VAL CA C 13 57.866 0.000 . . . . . . 154 VAL CA . 15820 1 204 . 1 1 53 53 VAL CB C 13 32.432 0.000 . . . . . . 154 VAL CB . 15820 1 205 . 1 1 53 53 VAL N N 15 124.356 0.000 . . . . . . 154 VAL N . 15820 1 206 . 1 1 54 54 MET H H 1 9.122 0.007 . 1 . . . . 155 MET HN . 15820 1 207 . 1 1 54 54 MET C C 13 172.000 0.000 . . . . . . 155 MET C . 15820 1 208 . 1 1 54 54 MET CA C 13 50.919 0.000 . . . . . . 155 MET CA . 15820 1 209 . 1 1 54 54 MET CB C 13 33.754 0.000 . . . . . . 155 MET CB . 15820 1 210 . 1 1 54 54 MET N N 15 125.726 0.000 . . . . . . 155 MET N . 15820 1 211 . 1 1 55 55 MET H H 1 8.996 0.008 . 1 . . . . 156 MET HN . 15820 1 212 . 1 1 55 55 MET C C 13 173.892 0.000 . . . . . . 156 MET C . 15820 1 213 . 1 1 55 55 MET CA C 13 51.299 0.000 . . . . . . 156 MET CA . 15820 1 214 . 1 1 55 55 MET CB C 13 28.624 0.000 . . . . . . 156 MET CB . 15820 1 215 . 1 1 55 55 MET N N 15 125.452 0.000 . . . . . . 156 MET N . 15820 1 216 . 1 1 56 56 MET H H 1 8.218 0.003 . 1 . . . . 157 MET HN . 15820 1 217 . 1 1 56 56 MET CA C 13 50.728 0.000 . . . . . . 157 MET CA . 15820 1 218 . 1 1 56 56 MET CB C 13 30.489 0.000 . . . . . . 157 MET CB . 15820 1 219 . 1 1 56 56 MET N N 15 120.247 0.000 . . . . . . 157 MET N . 15820 1 220 . 1 1 57 57 PRO C C 13 176.631 0.000 . . . . . . 158 PRO C . 15820 1 221 . 1 1 57 57 PRO CA C 13 52.470 0.000 . . . . . . 158 PRO CA . 15820 1 222 . 1 1 57 57 PRO CB C 13 39.634 0.000 . . . . . . 158 PRO CB . 15820 1 223 . 1 1 58 58 PHE H H 1 8.237 0.000 . 1 . . . . 159 PHE HN . 15820 1 224 . 1 1 58 58 PHE C C 13 174.007 0.000 . . . . . . 159 PHE C . 15820 1 225 . 1 1 58 58 PHE CA C 13 56.815 0.133 . . . . . . 159 PHE CA . 15820 1 226 . 1 1 58 58 PHE CB C 13 34.564 0.045 . . . . . . 159 PHE CB . 15820 1 227 . 1 1 58 58 PHE N N 15 116.137 0.000 . . . . . . 159 PHE N . 15820 1 228 . 1 1 59 59 LYS H H 1 7.363 0.002 . 1 . . . . 160 LYS HN . 15820 1 229 . 1 1 59 59 LYS C C 13 172.742 0.000 . . . . . . 160 LYS C . 15820 1 230 . 1 1 59 59 LYS CA C 13 52.252 0.000 . . . . . . 160 LYS CA . 15820 1 231 . 1 1 59 59 LYS CB C 13 30.489 0.000 . . . . . . 160 LYS CB . 15820 1 232 . 1 1 59 59 LYS N N 15 115.589 0.000 . . . . . . 160 LYS N . 15820 1 233 . 1 1 60 60 ARG H H 1 8.007 0.005 . 1 . . . . 161 ARG HN . 15820 1 234 . 1 1 60 60 ARG C C 13 172.565 0.000 . . . . . . 161 ARG C . 15820 1 235 . 1 1 60 60 ARG CA C 13 54.125 0.019 . . . . . . 161 ARG CA . 15820 1 236 . 1 1 60 60 ARG CB C 13 23.730 0.158 . . . . . . 161 ARG CB . 15820 1 237 . 1 1 60 60 ARG N N 15 116.959 0.157 . . . . . . 161 ARG N . 15820 1 238 . 1 1 61 61 GLN H H 1 7.303 0.005 . 1 . . . . 162 GLN HN . 15820 1 239 . 1 1 61 61 GLN C C 13 171.850 0.000 . . . . . . 162 GLN C . 15820 1 240 . 1 1 61 61 GLN CA C 13 50.538 0.000 . . . . . . 162 GLN CA . 15820 1 241 . 1 1 61 61 GLN CB C 13 32.588 0.000 . . . . . . 162 GLN CB . 15820 1 242 . 1 1 61 61 GLN N N 15 113.945 0.000 . . . . . . 162 GLN N . 15820 1 243 . 1 1 62 62 ALA H H 1 8.799 0.003 . 1 . . . . 163 ALA HN . 15820 1 244 . 1 1 62 62 ALA C C 13 171.977 0.000 . . . . . . 163 ALA C . 15820 1 245 . 1 1 62 62 ALA CA C 13 49.016 0.000 . . . . . . 163 ALA CA . 15820 1 246 . 1 1 62 62 ALA CB C 13 21.474 0.000 . . . . . . 163 ALA CB . 15820 1 247 . 1 1 62 62 ALA N N 15 119.699 0.000 . . . . . . 163 ALA N . 15820 1 248 . 1 1 63 63 LEU H H 1 8.855 0.002 . 1 . . . . 164 LEU HN . 15820 1 249 . 1 1 63 63 LEU C C 13 172.651 0.000 . . . . . . 164 LEU C . 15820 1 250 . 1 1 63 63 LEU CA C 13 50.633 0.000 . . . . . . 164 LEU CA . 15820 1 251 . 1 1 63 63 LEU CB C 13 42.381 0.000 . . . . . . 164 LEU CB . 15820 1 252 . 1 1 63 63 LEU N N 15 118.877 0.000 . . . . . . 164 LEU N . 15820 1 253 . 1 1 64 64 VAL H H 1 9.159 0.003 . 1 . . . . 165 VAL HN . 15820 1 254 . 1 1 64 64 VAL C C 13 170.015 0.000 . . . . . . 165 VAL C . 15820 1 255 . 1 1 64 64 VAL CA C 13 58.341 0.000 . . . . . . 165 VAL CA . 15820 1 256 . 1 1 64 64 VAL CB C 13 31.888 0.000 . . . . . . 165 VAL CB . 15820 1 257 . 1 1 64 64 VAL N N 15 121.617 0.000 . . . . . . 165 VAL N . 15820 1 258 . 1 1 65 65 GLU H H 1 8.988 0.005 . 1 . . . . 166 GLU HN . 15820 1 259 . 1 1 65 65 GLU C C 13 172.845 0.000 . . . . . . 166 GLU C . 15820 1 260 . 1 1 65 65 GLU CA C 13 51.870 0.000 . . . . . . 166 GLU CA . 15820 1 261 . 1 1 65 65 GLU CB C 13 29.557 0.000 . . . . . . 166 GLU CB . 15820 1 262 . 1 1 65 65 GLU N N 15 128.192 0.000 . . . . . . 166 GLU N . 15820 1 263 . 1 1 66 66 PHE H H 1 8.942 0.006 . 1 . . . . 167 PHE HN . 15820 1 264 . 1 1 66 66 PHE C C 13 172.659 0.000 . . . . . . 167 PHE C . 15820 1 265 . 1 1 66 66 PHE CA C 13 56.295 0.000 . . . . . . 167 PHE CA . 15820 1 266 . 1 1 66 66 PHE CB C 13 37.795 0.000 . . . . . . 167 PHE CB . 15820 1 267 . 1 1 66 66 PHE N N 15 127.644 0.000 . . . . . . 167 PHE N . 15820 1 268 . 1 1 67 67 GLU H H 1 8.243 0.003 . 1 . . . . 168 GLU HN . 15820 1 269 . 1 1 67 67 GLU C C 13 172.734 0.000 . . . . . . 168 GLU C . 15820 1 270 . 1 1 67 67 GLU CA C 13 56.343 0.000 . . . . . . 168 GLU CA . 15820 1 271 . 1 1 67 67 GLU CB C 13 28.002 0.000 . . . . . . 168 GLU CB . 15820 1 272 . 1 1 67 67 GLU N N 15 119.973 0.000 . . . . . . 168 GLU N . 15820 1 273 . 1 1 68 68 ASN H H 1 8.602 0.177 . 1 . . . . 169 ASN HN . 15820 1 274 . 1 1 68 68 ASN C C 13 173.323 0.000 . . . . . . 169 ASN C . 15820 1 275 . 1 1 68 68 ASN CA C 13 52.326 3.881 . . . . . . 169 ASN CA . 15820 1 276 . 1 1 68 68 ASN CB C 13 33.340 5.154 . . . . . . 169 ASN CB . 15820 1 277 . 1 1 68 68 ASN N N 15 114.219 2.891 . . . . . . 169 ASN N . 15820 1 278 . 1 1 69 69 ILE H H 1 8.893 0.004 . 1 . . . . 170 ILE HN . 15820 1 279 . 1 1 69 69 ILE C C 13 173.247 0.000 . . . . . . 170 ILE C . 15820 1 280 . 1 1 69 69 ILE CA C 13 62.047 0.042 . . . . . . 170 ILE CA . 15820 1 281 . 1 1 69 69 ILE CB C 13 35.876 0.039 . . . . . . 170 ILE CB . 15820 1 282 . 1 1 69 69 ILE N N 15 124.630 0.161 . . . . . . 170 ILE N . 15820 1 283 . 1 1 70 70 ASP H H 1 8.457 0.002 . 1 . . . . 171 ASP HN . 15820 1 284 . 1 1 70 70 ASP C C 13 176.520 0.000 . . . . . . 171 ASP C . 15820 1 285 . 1 1 70 70 ASP CA C 13 54.627 0.039 . . . . . . 171 ASP CA . 15820 1 286 . 1 1 70 70 ASP CB C 13 36.995 0.093 . . . . . . 171 ASP CB . 15820 1 287 . 1 1 70 70 ASP N N 15 121.069 0.151 . . . . . . 171 ASP N . 15820 1 288 . 1 1 71 71 SER H H 1 7.760 0.004 . 1 . . . . 172 SER HN . 15820 1 289 . 1 1 71 71 SER C C 13 171.563 0.000 . . . . . . 172 SER C . 15820 1 290 . 1 1 71 71 SER CA C 13 58.960 0.049 . . . . . . 172 SER CA . 15820 1 291 . 1 1 71 71 SER CB C 13 60.024 0.000 . . . . . . 172 SER CB . 15820 1 292 . 1 1 71 71 SER N N 15 116.959 0.128 . . . . . . 172 SER N . 15820 1 293 . 1 1 72 72 ALA H H 1 6.497 0.004 . 1 . . . . 173 ALA HN . 15820 1 294 . 1 1 72 72 ALA C C 13 176.063 0.000 . . . . . . 173 ALA C . 15820 1 295 . 1 1 72 72 ALA CA C 13 52.441 0.000 . . . . . . 173 ALA CA . 15820 1 296 . 1 1 72 72 ALA CB C 13 17.354 0.000 . . . . . . 173 ALA CB . 15820 1 297 . 1 1 72 72 ALA N N 15 123.260 0.000 . . . . . . 173 ALA N . 15820 1 298 . 1 1 73 73 LYS H H 1 7.967 0.004 . 1 . . . . 174 LYS HN . 15820 1 299 . 1 1 73 73 LYS C C 13 177.681 0.000 . . . . . . 174 LYS C . 15820 1 300 . 1 1 73 73 LYS CA C 13 55.391 0.000 . . . . . . 174 LYS CA . 15820 1 301 . 1 1 73 73 LYS CB C 13 29.557 0.000 . . . . . . 174 LYS CB . 15820 1 302 . 1 1 73 73 LYS N N 15 116.137 0.000 . . . . . . 174 LYS N . 15820 1 303 . 1 1 74 74 GLU H H 1 8.051 0.003 . 1 . . . . 175 GLU HN . 15820 1 304 . 1 1 74 74 GLU C C 13 174.146 0.000 . . . . . . 175 GLU C . 15820 1 305 . 1 1 74 74 GLU CA C 13 56.866 0.000 . . . . . . 175 GLU CA . 15820 1 306 . 1 1 74 74 GLU CB C 13 26.137 0.000 . . . . . . 175 GLU CB . 15820 1 307 . 1 1 74 74 GLU N N 15 122.439 0.000 . . . . . . 175 GLU N . 15820 1 308 . 1 1 75 75 CYS H H 1 7.411 0.004 . 1 . . . . 176 CYS HN . 15820 1 309 . 1 1 75 75 CYS C C 13 171.827 0.000 . . . . . . 176 CYS C . 15820 1 310 . 1 1 75 75 CYS CA C 13 58.373 0.111 . . . . . . 176 CYS CA . 15820 1 311 . 1 1 75 75 CYS CB C 13 23.629 0.021 . . . . . . 176 CYS CB . 15820 1 312 . 1 1 75 75 CYS N N 15 118.329 0.160 . . . . . . 176 CYS N . 15820 1 313 . 1 1 76 76 VAL H H 1 7.886 0.001 . 1 . . . . 177 VAL HN . 15820 1 314 . 1 1 76 76 VAL C C 13 176.258 0.000 . . . . . . 177 VAL C . 15820 1 315 . 1 1 76 76 VAL CA C 13 64.099 0.000 . . . . . . 177 VAL CA . 15820 1 316 . 1 1 76 76 VAL CB C 13 28.779 0.000 . . . . . . 177 VAL CB . 15820 1 317 . 1 1 76 76 VAL N N 15 115.589 0.000 . . . . . . 177 VAL N . 15820 1 318 . 1 1 77 77 THR H H 1 8.134 0.002 . 1 . . . . 178 THR HN . 15820 1 319 . 1 1 77 77 THR C C 13 174.061 0.000 . . . . . . 178 THR C . 15820 1 320 . 1 1 77 77 THR CA C 13 63.433 0.000 . . . . . . 178 THR CA . 15820 1 321 . 1 1 77 77 THR CB C 13 66.397 0.000 . . . . . . 178 THR CB . 15820 1 322 . 1 1 77 77 THR N N 15 113.397 0.000 . . . . . . 178 THR N . 15820 1 323 . 1 1 78 78 PHE H H 1 8.472 0.001 . 1 . . . . 179 PHE HN . 15820 1 324 . 1 1 78 78 PHE C C 13 174.822 0.000 . . . . . . 179 PHE C . 15820 1 325 . 1 1 78 78 PHE CA C 13 59.073 0.000 . . . . . . 179 PHE CA . 15820 1 326 . 1 1 78 78 PHE CB C 13 37.251 0.000 . . . . . . 179 PHE CB . 15820 1 327 . 1 1 78 78 PHE N N 15 124.630 0.000 . . . . . . 179 PHE N . 15820 1 328 . 1 1 79 79 ALA H H 1 7.809 0.003 . 1 . . . . 180 ALA HN . 15820 1 329 . 1 1 79 79 ALA C C 13 175.427 0.000 . . . . . . 180 ALA C . 15820 1 330 . 1 1 79 79 ALA CA C 13 49.701 0.033 . . . . . . 180 ALA CA . 15820 1 331 . 1 1 79 79 ALA CB C 13 16.715 0.017 . . . . . . 180 ALA CB . 15820 1 332 . 1 1 79 79 ALA N N 15 117.233 0.160 . . . . . . 180 ALA N . 15820 1 333 . 1 1 80 80 ALA H H 1 7.214 0.003 . 1 . . . . 181 ALA HN . 15820 1 334 . 1 1 80 80 ALA C C 13 175.663 0.000 . . . . . . 181 ALA C . 15820 1 335 . 1 1 80 80 ALA CA C 13 51.068 0.092 . . . . . . 181 ALA CA . 15820 1 336 . 1 1 80 80 ALA CB C 13 15.533 0.044 . . . . . . 181 ALA CB . 15820 1 337 . 1 1 80 80 ALA N N 15 119.151 0.161 . . . . . . 181 ALA N . 15820 1 338 . 1 1 81 81 ASP H H 1 7.126 0.000 . 1 . . . . 182 ASP HN . 15820 1 339 . 1 1 81 81 ASP C C 13 172.738 0.000 . . . . . . 182 ASP C . 15820 1 340 . 1 1 81 81 ASP CA C 13 52.126 0.000 . . . . . . 182 ASP CA . 15820 1 341 . 1 1 81 81 ASP CB C 13 40.671 0.000 . . . . . . 182 ASP CB . 15820 1 342 . 1 1 81 81 ASP N N 15 115.315 0.000 . . . . . . 182 ASP N . 15820 1 343 . 1 1 82 82 VAL H H 1 7.997 0.004 . 1 . . . . 183 VAL HN . 15820 1 344 . 1 1 82 82 VAL CA C 13 56.128 0.000 . . . . . . 183 VAL CA . 15820 1 345 . 1 1 82 82 VAL CB C 13 31.033 0.000 . . . . . . 183 VAL CB . 15820 1 346 . 1 1 82 82 VAL N N 15 123.260 0.000 . . . . . . 183 VAL N . 15820 1 347 . 1 1 83 83 PRO C C 13 173.991 0.000 . . . . . . 184 PRO C . 15820 1 348 . 1 1 83 83 PRO CA C 13 60.085 0.000 . . . . . . 184 PRO CA . 15820 1 349 . 1 1 83 83 PRO CB C 13 29.868 0.000 . . . . . . 184 PRO CB . 15820 1 350 . 1 1 84 84 VAL H H 1 8.750 0.003 . 1 . . . . 185 VAL HN . 15820 1 351 . 1 1 84 84 VAL C C 13 171.484 0.000 . . . . . . 185 VAL C . 15820 1 352 . 1 1 84 84 VAL CA C 13 59.027 0.000 . . . . . . 185 VAL CA . 15820 1 353 . 1 1 84 84 VAL CB C 13 30.800 0.000 . . . . . . 185 VAL CB . 15820 1 354 . 1 1 84 84 VAL N N 15 125.452 0.000 . . . . . . 185 VAL N . 15820 1 355 . 1 1 85 85 TYR H H 1 8.451 0.008 . 1 . . . . 186 TYR HN . 15820 1 356 . 1 1 85 85 TYR C C 13 172.979 0.000 . . . . . . 186 TYR C . 15820 1 357 . 1 1 85 85 TYR CA C 13 54.150 0.000 . . . . . . 186 TYR CA . 15820 1 358 . 1 1 85 85 TYR CB C 13 37.484 0.000 . . . . . . 186 TYR CB . 15820 1 359 . 1 1 85 85 TYR N N 15 124.904 0.000 . . . . . . 186 TYR N . 15820 1 360 . 1 1 86 86 ILE H H 1 8.590 0.004 . 1 . . . . 187 ILE HN . 15820 1 361 . 1 1 86 86 ILE C C 13 173.012 0.000 . . . . . . 187 ILE C . 15820 1 362 . 1 1 86 86 ILE CA C 13 57.279 0.000 . . . . . . 187 ILE CA . 15820 1 363 . 1 1 86 86 ILE CB C 13 36.008 0.000 . . . . . . 187 ILE CB . 15820 1 364 . 1 1 86 86 ILE N N 15 121.069 0.000 . . . . . . 187 ILE N . 15820 1 365 . 1 1 87 87 ALA H H 1 9.452 0.004 . 1 . . . . 188 ALA HN . 15820 1 366 . 1 1 87 87 ALA C C 13 174.356 0.000 . . . . . . 188 ALA C . 15820 1 367 . 1 1 87 87 ALA CA C 13 50.148 0.000 . . . . . . 188 ALA CA . 15820 1 368 . 1 1 87 87 ALA CB C 13 14.712 0.000 . . . . . . 188 ALA CB . 15820 1 369 . 1 1 87 87 ALA N N 15 131.754 0.000 . . . . . . 188 ALA N . 15820 1 370 . 1 1 88 88 GLY H H 1 8.487 0.000 . 1 . . . . 189 GLY HN . 15820 1 371 . 1 1 88 88 GLY C C 13 171.154 0.000 . . . . . . 189 GLY C . 15820 1 372 . 1 1 88 88 GLY CA C 13 42.556 0.000 . . . . . . 189 GLY CA . 15820 1 373 . 1 1 88 88 GLY N N 15 101.068 0.000 . . . . . . 189 GLY N . 15820 1 374 . 1 1 89 89 GLN H H 1 7.708 0.003 . 1 . . . . 190 GLN HN . 15820 1 375 . 1 1 89 89 GLN C C 13 172.495 0.000 . . . . . . 190 GLN C . 15820 1 376 . 1 1 89 89 GLN CA C 13 51.298 0.000 . . . . . . 190 GLN CA . 15820 1 377 . 1 1 89 89 GLN CB C 13 29.090 0.000 . . . . . . 190 GLN CB . 15820 1 378 . 1 1 89 89 GLN N N 15 118.877 0.000 . . . . . . 190 GLN N . 15820 1 379 . 1 1 90 90 GLN H H 1 9.141 0.004 . 1 . . . . 191 GLN HN . 15820 1 380 . 1 1 90 90 GLN C C 13 170.628 0.000 . . . . . . 191 GLN C . 15820 1 381 . 1 1 90 90 GLN CA C 13 54.637 0.018 . . . . . . 191 GLN CA . 15820 1 382 . 1 1 90 90 GLN CB C 13 24.637 0.000 . . . . . . 191 GLN CB . 15820 1 383 . 1 1 90 90 GLN N N 15 129.836 0.152 . . . . . . 191 GLN N . 15820 1 384 . 1 1 91 91 ALA H H 1 7.940 0.606 . 1 . . . . 192 ALA HN . 15820 1 385 . 1 1 91 91 ALA C C 13 170.996 0.000 . . . . . . 192 ALA C . 15820 1 386 . 1 1 91 91 ALA CA C 13 46.605 0.000 . . . . . . 192 ALA CA . 15820 1 387 . 1 1 91 91 ALA CB C 13 24.505 0.000 . . . . . . 192 ALA CB . 15820 1 388 . 1 1 91 91 ALA N N 15 128.192 0.803 . . . . . . 192 ALA N . 15820 1 389 . 1 1 92 92 PHE H H 1 7.739 0.094 . 1 . . . . 193 PHE HN . 15820 1 390 . 1 1 92 92 PHE C C 13 172.415 0.000 . . . . . . 193 PHE C . 15820 1 391 . 1 1 92 92 PHE CA C 13 53.828 0.000 . . . . . . 193 PHE CA . 15820 1 392 . 1 1 92 92 PHE CB C 13 28.896 9.987 . . . . . . 193 PHE CB . 15820 1 393 . 1 1 92 92 PHE N N 15 115.315 6.058 . . . . . . 193 PHE N . 15820 1 394 . 1 1 93 93 PHE H H 1 8.760 0.001 . 1 . . . . 194 PHE HN . 15820 1 395 . 1 1 93 93 PHE C C 13 172.025 0.000 . . . . . . 194 PHE C . 15820 1 396 . 1 1 93 93 PHE CA C 13 54.380 0.000 . . . . . . 194 PHE CA . 15820 1 397 . 1 1 93 93 PHE CB C 13 40.127 0.000 . . . . . . 194 PHE CB . 15820 1 398 . 1 1 93 93 PHE N N 15 119.425 0.000 . . . . . . 194 PHE N . 15820 1 399 . 1 1 94 94 ASN H H 1 8.646 0.006 . 1 . . . . 195 ASN HN . 15820 1 400 . 1 1 94 94 ASN C C 13 175.871 0.000 . . . . . . 195 ASN C . 15820 1 401 . 1 1 94 94 ASN CA C 13 48.905 0.000 . . . . . . 195 ASN CA . 15820 1 402 . 1 1 94 94 ASN CB C 13 39.116 0.000 . . . . . . 195 ASN CB . 15820 1 403 . 1 1 94 94 ASN N N 15 119.151 0.000 . . . . . . 195 ASN N . 15820 1 404 . 1 1 95 95 TYR H H 1 8.478 0.004 . 1 . . . . 196 TYR HN . 15820 1 405 . 1 1 95 95 TYR C C 13 173.609 0.000 . . . . . . 196 TYR C . 15820 1 406 . 1 1 95 95 TYR CA C 13 56.699 0.212 . . . . . . 196 TYR CA . 15820 1 407 . 1 1 95 95 TYR CB C 13 36.191 0.028 . . . . . . 196 TYR CB . 15820 1 408 . 1 1 95 95 TYR N N 15 120.795 0.161 . . . . . . 196 TYR N . 15820 1 409 . 1 1 96 96 SER H H 1 8.795 0.004 . 1 . . . . 197 SER HN . 15820 1 410 . 1 1 96 96 SER C C 13 172.656 0.000 . . . . . . 197 SER C . 15820 1 411 . 1 1 96 96 SER CA C 13 53.920 0.000 . . . . . . 197 SER CA . 15820 1 412 . 1 1 96 96 SER CB C 13 61.190 0.000 . . . . . . 197 SER CB . 15820 1 413 . 1 1 96 96 SER N N 15 115.041 0.000 . . . . . . 197 SER N . 15820 1 414 . 1 1 97 97 THR H H 1 8.033 0.000 . 1 . . . . 198 THR HN . 15820 1 415 . 1 1 97 97 THR C C 13 173.570 0.000 . . . . . . 198 THR C . 15820 1 416 . 1 1 97 97 THR CA C 13 60.867 0.000 . . . . . . 198 THR CA . 15820 1 417 . 1 1 97 97 THR CB C 13 65.931 0.000 . . . . . . 198 THR CB . 15820 1 418 . 1 1 97 97 THR N N 15 115.315 0.000 . . . . . . 198 THR N . 15820 1 419 . 1 1 98 98 SER H H 1 8.509 0.001 . 1 . . . . 199 SER HN . 15820 1 420 . 1 1 98 98 SER C C 13 171.126 0.000 . . . . . . 199 SER C . 15820 1 421 . 1 1 98 98 SER CA C 13 55.806 0.000 . . . . . . 199 SER CA . 15820 1 422 . 1 1 98 98 SER CB C 13 61.190 0.000 . . . . . . 199 SER CB . 15820 1 423 . 1 1 98 98 SER N N 15 118.877 0.000 . . . . . . 199 SER N . 15820 1 424 . 1 1 99 99 LYS H H 1 8.693 0.000 . 1 . . . . 200 LYS HN . 15820 1 425 . 1 1 99 99 LYS C C 13 172.425 0.000 . . . . . . 200 LYS C . 15820 1 426 . 1 1 99 99 LYS CA C 13 53.053 0.024 . . . . . . 200 LYS CA . 15820 1 427 . 1 1 99 99 LYS CB C 13 29.860 0.085 . . . . . . 200 LYS CB . 15820 1 428 . 1 1 99 99 LYS N N 15 121.343 0.000 . . . . . . 200 LYS N . 15820 1 429 . 1 1 100 100 ARG H H 1 7.374 0.004 . 1 . . . . 201 ARG HN . 15820 1 430 . 1 1 100 100 ARG C C 13 172.519 0.000 . . . . . . 201 ARG C . 15820 1 431 . 1 1 100 100 ARG CA C 13 52.360 0.113 . . . . . . 201 ARG CA . 15820 1 432 . 1 1 100 100 ARG CB C 13 30.116 0.062 . . . . . . 201 ARG CB . 15820 1 433 . 1 1 100 100 ARG N N 15 115.589 0.157 . . . . . . 201 ARG N . 15820 1 434 . 1 1 101 101 ILE H H 1 8.690 0.002 . 1 . . . . 202 ILE HN . 15820 1 435 . 1 1 101 101 ILE C C 13 173.633 0.000 . . . . . . 202 ILE C . 15820 1 436 . 1 1 101 101 ILE CA C 13 59.252 0.000 . . . . . . 202 ILE CA . 15820 1 437 . 1 1 101 101 ILE CB C 13 35.697 0.000 . . . . . . 202 ILE CB . 15820 1 438 . 1 1 101 101 ILE N N 15 125.452 0.000 . . . . . . 202 ILE N . 15820 1 439 . 1 1 102 102 THR H H 1 8.478 0.003 . 1 . . . . 203 THR HN . 15820 1 440 . 1 1 102 102 THR C C 13 170.697 0.000 . . . . . . 203 THR C . 15820 1 441 . 1 1 102 102 THR CA C 13 60.851 0.000 . . . . . . 203 THR CA . 15820 1 442 . 1 1 102 102 THR CB C 13 66.039 0.000 . . . . . . 203 THR CB . 15820 1 443 . 1 1 102 102 THR N N 15 124.904 0.000 . . . . . . 203 THR N . 15820 1 444 . 1 1 103 103 ARG H H 1 8.221 0.004 . 1 . . . . 204 ARG HN . 15820 1 445 . 1 1 103 103 ARG CA C 13 50.546 0.000 . . . . . . 204 ARG CA . 15820 1 446 . 1 1 103 103 ARG CB C 13 26.577 0.000 . . . . . . 204 ARG CB . 15820 1 447 . 1 1 103 103 ARG N N 15 126.822 0.000 . . . . . . 204 ARG N . 15820 1 448 . 1 1 104 104 PRO C C 13 174.668 0.000 . . . . . . 205 PRO C . 15820 1 449 . 1 1 104 104 PRO CA C 13 60.544 0.041 . . . . . . 205 PRO CA . 15820 1 450 . 1 1 104 104 PRO CB C 13 29.307 0.000 . . . . . . 205 PRO CB . 15820 1 451 . 1 1 105 105 GLY H H 1 8.463 0.005 . 1 . . . . 206 GLY HN . 15820 1 452 . 1 1 105 105 GLY C C 13 171.200 0.000 . . . . . . 206 GLY C . 15820 1 453 . 1 1 105 105 GLY CA C 13 42.355 0.028 . . . . . . 206 GLY CA . 15820 1 454 . 1 1 105 105 GLY N N 15 109.561 0.157 . . . . . . 206 GLY N . 15820 1 455 . 1 1 106 106 ASN H H 1 8.244 0.006 . 1 . . . . 207 ASN HN . 15820 1 456 . 1 1 106 106 ASN C C 13 172.813 0.000 . . . . . . 207 ASN C . 15820 1 457 . 1 1 106 106 ASN CA C 13 50.412 0.000 . . . . . . 207 ASN CA . 15820 1 458 . 1 1 106 106 ASN CB C 13 36.346 0.000 . . . . . . 207 ASN CB . 15820 1 459 . 1 1 106 106 ASN N N 15 118.877 0.000 . . . . . . 207 ASN N . 15820 1 460 . 1 1 107 107 THR H H 1 8.166 0.001 . 1 . . . . 208 THR HN . 15820 1 461 . 1 1 107 107 THR C C 13 171.493 0.000 . . . . . . 208 THR C . 15820 1 462 . 1 1 107 107 THR CA C 13 59.030 0.000 . . . . . . 208 THR CA . 15820 1 463 . 1 1 107 107 THR CB C 13 67.039 0.000 . . . . . . 208 THR CB . 15820 1 464 . 1 1 107 107 THR N N 15 113.671 0.000 . . . . . . 208 THR N . 15820 1 465 . 1 1 108 108 ASP H H 1 8.268 0.002 . 1 . . . . 209 ASP HN . 15820 1 466 . 1 1 108 108 ASP C C 13 172.890 0.000 . . . . . . 209 ASP C . 15820 1 467 . 1 1 108 108 ASP CA C 13 51.612 0.000 . . . . . . 209 ASP CA . 15820 1 468 . 1 1 108 108 ASP CB C 13 38.346 0.000 . . . . . . 209 ASP CB . 15820 1 469 . 1 1 108 108 ASP N N 15 121.891 0.000 . . . . . . 209 ASP N . 15820 1 470 . 1 1 109 109 ASP H H 1 8.118 0.005 . 1 . . . . 210 ASP HN . 15820 1 471 . 1 1 109 109 ASP CA C 13 49.480 0.000 . . . . . . 210 ASP CA . 15820 1 472 . 1 1 109 109 ASP CB C 13 38.346 0.000 . . . . . . 210 ASP CB . 15820 1 473 . 1 1 109 109 ASP N N 15 121.617 0.000 . . . . . . 210 ASP N . 15820 1 474 . 1 1 110 110 PRO C C 13 174.478 0.000 . . . . . . 211 PRO C . 15820 1 475 . 1 1 110 110 PRO CA C 13 60.674 0.000 . . . . . . 211 PRO CA . 15820 1 476 . 1 1 110 110 PRO CB C 13 29.277 0.030 . . . . . . 211 PRO CB . 15820 1 477 . 1 1 111 111 SER H H 1 8.402 0.004 . 1 . . . . 212 SER HN . 15820 1 478 . 1 1 111 111 SER C C 13 171.359 0.000 . . . . . . 212 SER C . 15820 1 479 . 1 1 111 111 SER CA C 13 55.810 0.023 . . . . . . 212 SER CA . 15820 1 480 . 1 1 111 111 SER CB C 13 61.345 0.000 . . . . . . 212 SER CB . 15820 1 481 . 1 1 111 111 SER N N 15 116.137 0.151 . . . . . . 212 SER N . 15820 1 482 . 1 1 112 112 GLY H H 1 7.845 0.000 . 1 . . . . 213 GLY HN . 15820 1 483 . 1 1 112 112 GLY CA C 13 43.394 0.000 . . . . . . 213 GLY CA . 15820 1 484 . 1 1 112 112 GLY N N 15 116.685 0.000 . . . . . . 213 GLY N . 15820 1 stop_ save_