data_19484 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19484 _Entry.Title ; NMR structure of a two-transmembrane segment TM VI-VII of NHE1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-10 _Entry.Accession_date 2013-09-10 _Entry.Last_release_date 2014-06-30 _Entry.Original_release_date 2014-06-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Brian Lee . L. . 19484 2 Brian Sykes . D. . 19484 3 Claudia Alves . . . 19484 4 Larry Fliegel . . . 19484 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19484 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Na+/H+ exchanger' . 19484 NHE1 . 19484 NMR . 19484 transmembrane . 19484 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19484 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 393 19484 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 . . 2014-06-30 2013-09-10 original author . 19484 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19484 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24840010 _Citation.Full_citation . _Citation.Title 'Structural and Functional Analysis of the Transmembrane Segment Pair VI and VII of the NHE1 Isoform of the Na(+)/H(+) Exchanger' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 53 _Citation.Journal_issue 22 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3658 _Citation.Page_last 3670 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Claudia Alves . . . 19484 1 2 Brian Lee . L. . 19484 1 3 Brian Sykes . D. . 19484 1 4 Larry Fliegel . . . 19484 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19484 _Assembly.ID 1 _Assembly.Name tm67 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 tm67 1 $entity A . yes native no no . . . 19484 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19484 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSKKKDNLLFGSIISAVDPV AVLAVFEEIHINELLHILVF GESLLNDAVTVVLYKKK ; _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 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6257.431 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MDF . "Nmr Structure Of A Two-transmembrane Segment Tm Vi-vii Of Nhe1" . . . . . 100.00 57 100.00 100.00 1.63e-29 . . . . 19484 1 2 no DBJ BAE02258 . "unnamed protein product [Macaca fascicularis]" . . . . . 82.46 315 100.00 100.00 9.08e-21 . . . . 19484 1 3 no DBJ BAE29332 . "unnamed protein product [Mus musculus]" . . . . . 85.96 820 97.96 97.96 2.50e-20 . . . . 19484 1 4 no DBJ BAE32882 . "unnamed protein product [Mus musculus]" . . . . . 85.96 820 97.96 97.96 2.50e-20 . . . . 19484 1 5 no DBJ BAE38221 . "unnamed protein product [Mus musculus]" . . . . . 85.96 549 97.96 97.96 2.61e-20 . . . . 19484 1 6 no DBJ BAE75800 . "NHE1 [Takifugu obscurus]" . . . . . 82.46 730 100.00 100.00 1.94e-19 . . . . 19484 1 7 no EMBL CAA42558 . "Na(+)/H(+) exchanger [Oryctolagus cuniculus]" . . . . . 85.96 816 100.00 100.00 3.62e-21 . . . . 19484 1 8 no EMBL CAA43721 . "Na(+)/H(+) exchanger [Oryctolagus cuniculus]" . . . . . 85.96 816 97.96 97.96 1.13e-20 . . . . 19484 1 9 no EMBL CAA69925 . "Na+/H+ antiporter [Xenopus laevis]" . . . . . 84.21 781 100.00 100.00 2.85e-20 . . . . 19484 1 10 no EMBL CAB45232 . "sodium hydrogen exchanger [Cyprinus carpio]" . . . . . 82.46 698 97.87 100.00 1.09e-19 . . . . 19484 1 11 no EMBL CAF94405 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 82.46 476 100.00 100.00 4.51e-19 . . . . 19484 1 12 no GB AAA31092 . "Na+-H+ exchanger [Sus scrofa]" . . . . . 85.96 818 100.00 100.00 3.85e-21 . . . . 19484 1 13 no GB AAA91483 . "Na+/H+ antiporter protein [Bos taurus]" . . . . . 85.96 817 97.96 100.00 1.32e-20 . . . . 19484 1 14 no GB AAA92976 . "Na+/H+ exchanger [Mus musculus]" . . . . . 85.96 820 97.96 97.96 2.50e-20 . . . . 19484 1 15 no GB AAA98479 . "sodium-hydrogen exchange protein-isoform 1 [Rattus norvegicus]" . . . . . 85.96 820 97.96 97.96 2.81e-20 . . . . 19484 1 16 no GB AAB20633 . "Na(+)-H+ exchanger [Sus scrofa]" . . . . . 85.96 818 100.00 100.00 3.81e-21 . . . . 19484 1 17 no REF NP_001007104 . "sodium/hydrogen exchanger 1 [Sus scrofa]" . . . . . 85.96 818 100.00 100.00 3.81e-21 . . . . 19484 1 18 no REF NP_001038108 . "sodium/hydrogen exchanger 1 precursor [Gallus gallus]" . . . . . 84.21 803 100.00 100.00 1.34e-20 . . . . 19484 1 19 no REF NP_001081553 . "solute carrier family 9, subfamily A (NHE1, cation proton antiporter 1), member 1 [Xenopus laevis]" . . . . . 84.21 781 100.00 100.00 2.85e-20 . . . . 19484 1 20 no REF NP_001095191 . "sodium/hydrogen exchanger 1 [Oryctolagus cuniculus]" . . . . . 85.96 816 100.00 100.00 3.62e-21 . . . . 19484 1 21 no REF NP_001273957 . "sodium/hydrogen exchanger 1 [Canis lupus familiaris]" . . . . . 85.96 816 100.00 100.00 4.07e-21 . . . . 19484 1 22 no SP P19634 . "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=APNH; AltName: Full=Na(+)/H(+) antiporter, amiloride-sensitive; AltNam" . . . . . 85.96 815 100.00 100.00 4.79e-21 . . . . 19484 1 23 no SP P23791 . "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=Na(+)/H(+) exchanger 1; Short=NHE-1; AltName: Full=Solute carrier fami" . . . . . 85.96 816 100.00 100.00 3.62e-21 . . . . 19484 1 24 no SP P26431 . "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=Na(+)/H(+) exchanger 1; Short=NHE-1; AltName: Full=Solute carrier fami" . . . . . 85.96 820 97.96 97.96 2.81e-20 . . . . 19484 1 25 no SP P48762 . "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=Na(+)/H(+) exchanger 1; Short=NHE-1; AltName: Full=Solute carrier fami" . . . . . 85.96 818 100.00 100.00 3.85e-21 . . . . 19484 1 26 no SP Q28036 . "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=Na(+)/H(+) exchanger 1; Short=NHE-1; AltName: Full=Solute carrier fami" . . . . . 85.96 817 97.96 100.00 1.32e-20 . . . . 19484 1 27 no TPG DAA32066 . "TPA: sodium/hydrogen exchanger 1 [Bos taurus]" . . . . . 85.96 818 97.96 100.00 1.67e-20 . . . . 19484 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 1 221 GLY . 19484 1 2 222 SER . 19484 1 3 223 LYS . 19484 1 4 224 LYS . 19484 1 5 225 LYS . 19484 1 6 226 ASP . 19484 1 7 227 ASN . 19484 1 8 228 LEU . 19484 1 9 229 LEU . 19484 1 10 230 PHE . 19484 1 11 231 GLY . 19484 1 12 232 SER . 19484 1 13 233 ILE . 19484 1 14 234 ILE . 19484 1 15 235 SER . 19484 1 16 236 ALA . 19484 1 17 237 VAL . 19484 1 18 238 ASP . 19484 1 19 239 PRO . 19484 1 20 240 VAL . 19484 1 21 241 ALA . 19484 1 22 242 VAL . 19484 1 23 243 LEU . 19484 1 24 244 ALA . 19484 1 25 245 VAL . 19484 1 26 246 PHE . 19484 1 27 247 GLU . 19484 1 28 248 GLU . 19484 1 29 249 ILE . 19484 1 30 250 HIS . 19484 1 31 251 ILE . 19484 1 32 252 ASN . 19484 1 33 253 GLU . 19484 1 34 254 LEU . 19484 1 35 255 LEU . 19484 1 36 256 HIS . 19484 1 37 257 ILE . 19484 1 38 258 LEU . 19484 1 39 259 VAL . 19484 1 40 260 PHE . 19484 1 41 261 GLY . 19484 1 42 262 GLU . 19484 1 43 263 SER . 19484 1 44 264 LEU . 19484 1 45 265 LEU . 19484 1 46 266 ASN . 19484 1 47 267 ASP . 19484 1 48 268 ALA . 19484 1 49 269 VAL . 19484 1 50 270 THR . 19484 1 51 271 VAL . 19484 1 52 272 VAL . 19484 1 53 273 LEU . 19484 1 54 274 TYR . 19484 1 55 275 LYS . 19484 1 56 276 LYS . 19484 1 57 277 LYS . 19484 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19484 1 . SER 2 2 19484 1 . LYS 3 3 19484 1 . LYS 4 4 19484 1 . LYS 5 5 19484 1 . ASP 6 6 19484 1 . ASN 7 7 19484 1 . LEU 8 8 19484 1 . LEU 9 9 19484 1 . PHE 10 10 19484 1 . GLY 11 11 19484 1 . SER 12 12 19484 1 . ILE 13 13 19484 1 . ILE 14 14 19484 1 . SER 15 15 19484 1 . ALA 16 16 19484 1 . VAL 17 17 19484 1 . ASP 18 18 19484 1 . PRO 19 19 19484 1 . VAL 20 20 19484 1 . ALA 21 21 19484 1 . VAL 22 22 19484 1 . LEU 23 23 19484 1 . ALA 24 24 19484 1 . VAL 25 25 19484 1 . PHE 26 26 19484 1 . GLU 27 27 19484 1 . GLU 28 28 19484 1 . ILE 29 29 19484 1 . HIS 30 30 19484 1 . ILE 31 31 19484 1 . ASN 32 32 19484 1 . GLU 33 33 19484 1 . LEU 34 34 19484 1 . LEU 35 35 19484 1 . HIS 36 36 19484 1 . ILE 37 37 19484 1 . LEU 38 38 19484 1 . VAL 39 39 19484 1 . PHE 40 40 19484 1 . GLY 41 41 19484 1 . GLU 42 42 19484 1 . SER 43 43 19484 1 . LEU 44 44 19484 1 . LEU 45 45 19484 1 . ASN 46 46 19484 1 . ASP 47 47 19484 1 . ALA 48 48 19484 1 . VAL 49 49 19484 1 . THR 50 50 19484 1 . VAL 51 51 19484 1 . VAL 52 52 19484 1 . LEU 53 53 19484 1 . TYR 54 54 19484 1 . LYS 55 55 19484 1 . LYS 56 56 19484 1 . LYS 57 57 19484 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 19484 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19484 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 19484 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'XL1 Blue' . . . . . . . . . . . . . . . pMBPVI-VII . . . . . . 19484 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19484 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 entity [U-15N] . . 1 $entity . . . 1 2 mM . . . . 19484 1 2 D2O [U-2H] . . . . . . 5 . . % . . . . 19484 1 3 DSS [1,1,2,2,3,3-2H6] . . . . . . 0.25 . . mM . . . . 19484 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19484 1 5 dodecylphosphocholine [U-2H] . . . . . . . 75 150 mM . . . . 19484 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19484 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity [U-15N] . . 1 $entity . . . 1 2 mM . . . . 19484 2 2 D2O [U-2H] . . . . . . 100 . . % . . . . 19484 2 3 DSS [1,1,2,2,3,3-2H6] . . . . . . 0.25 . . mM . . . . 19484 2 4 dodecylphosphocholine [U-2H] . . . . . . . 75 150 mM . . . . 19484 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 19484 _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' 0 . M 19484 1 pH 5 . pH 19484 1 pressure 1 . atm 19484 1 temperature 273 . K 19484 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19484 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19484 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19484 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19484 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19484 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19484 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19484 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19484 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19484 3 'peak picking' 19484 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19484 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19484 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19484 4 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 19484 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19484 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 19484 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 19484 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19484 1 2 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19484 1 3 '3D 1H-15N TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19484 1 4 '2D DQF-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19484 1 5 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19484 1 6 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19484 1 7 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19484 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19484 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19484 _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 0.00 internal direct 1.000000000 . . . . . . . . . 19484 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19484 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 19484 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19484 1 2 '3D 1H-15N NOESY' . . . 19484 1 3 '3D 1H-15N TOCSY' . . . 19484 1 4 '2D DQF-COSY' . . . 19484 1 5 '2D 1H-1H TOCSY' . . . 19484 1 6 '2D 1H-1H NOESY' . . . 19484 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.2880 0.005 . 2 . . . A 221 GLY HA2 . 19484 1 2 . 1 1 1 1 GLY HA3 H 1 3.4970 0.005 . 2 . . . A 221 GLY HA3 . 19484 1 3 . 1 1 2 2 SER H H 1 8.6480 0.005 . 1 . . . A 222 SER H . 19484 1 4 . 1 1 2 2 SER HA H 1 3.8520 0.005 . 1 . . . A 222 SER HA . 19484 1 5 . 1 1 2 2 SER HB3 H 1 4.5020 0.005 . 2 . . . A 222 SER HB3 . 19484 1 6 . 1 1 3 3 LYS H H 1 8.4980 0.005 . 1 . . . A 223 LYS H . 19484 1 7 . 1 1 3 3 LYS HA H 1 4.3380 0.005 . 1 . . . A 223 LYS HA . 19484 1 8 . 1 1 3 3 LYS HB2 H 1 1.7410 0.005 . 2 . . . A 223 LYS HB2 . 19484 1 9 . 1 1 3 3 LYS HB3 H 1 1.8300 0.005 . 2 . . . A 223 LYS HB3 . 19484 1 10 . 1 1 3 3 LYS HG2 H 1 1.4270 0.005 . 2 . . . A 223 LYS HG2 . 19484 1 11 . 1 1 3 3 LYS HG3 H 1 1.4490 0.005 . 2 . . . A 223 LYS HG3 . 19484 1 12 . 1 1 3 3 LYS HD3 H 1 1.6760 0.005 . 2 . . . A 223 LYS HD3 . 19484 1 13 . 1 1 3 3 LYS HE3 H 1 2.9920 0.005 . 2 . . . A 223 LYS HE3 . 19484 1 14 . 1 1 4 4 LYS H H 1 8.3680 0.005 . 1 . . . A 224 LYS H . 19484 1 15 . 1 1 4 4 LYS HA H 1 4.2570 0.005 . 1 . . . A 224 LYS HA . 19484 1 16 . 1 1 4 4 LYS HB2 H 1 1.7420 0.005 . 2 . . . A 224 LYS HB2 . 19484 1 17 . 1 1 4 4 LYS HB3 H 1 1.7980 0.005 . 2 . . . A 224 LYS HB3 . 19484 1 18 . 1 1 4 4 LYS HG3 H 1 1.4190 0.005 . 2 . . . A 224 LYS HG3 . 19484 1 19 . 1 1 4 4 LYS HD3 H 1 1.6780 0.005 . 2 . . . A 224 LYS HD3 . 19484 1 20 . 1 1 4 4 LYS HE3 H 1 2.9850 0.005 . 2 . . . A 224 LYS HE3 . 19484 1 21 . 1 1 5 5 LYS H H 1 8.3880 0.005 . 1 . . . A 225 LYS H . 19484 1 22 . 1 1 5 5 LYS HA H 1 4.2640 0.005 . 1 . . . A 225 LYS HA . 19484 1 23 . 1 1 5 5 LYS HB2 H 1 1.7420 0.005 . 2 . . . A 225 LYS HB2 . 19484 1 24 . 1 1 5 5 LYS HB3 H 1 1.8180 0.005 . 2 . . . A 225 LYS HB3 . 19484 1 25 . 1 1 5 5 LYS HG3 H 1 1.4200 0.005 . 2 . . . A 225 LYS HG3 . 19484 1 26 . 1 1 5 5 LYS HD3 H 1 1.6780 0.005 . 2 . . . A 225 LYS HD3 . 19484 1 27 . 1 1 5 5 LYS HE3 H 1 2.9850 0.005 . 2 . . . A 225 LYS HE3 . 19484 1 28 . 1 1 6 6 ASP H H 1 8.2560 0.005 . 1 . . . A 226 ASP H . 19484 1 29 . 1 1 6 6 ASP HA H 1 4.5610 0.005 . 1 . . . A 226 ASP HA . 19484 1 30 . 1 1 6 6 ASP HB2 H 1 2.5880 0.005 . 2 . . . A 226 ASP HB2 . 19484 1 31 . 1 1 6 6 ASP HB3 H 1 2.6580 0.005 . 2 . . . A 226 ASP HB3 . 19484 1 32 . 1 1 7 7 ASN H H 1 8.3630 0.005 . 1 . . . A 227 ASN H . 19484 1 33 . 1 1 7 7 ASN HA H 1 4.6770 0.005 . 1 . . . A 227 ASN HA . 19484 1 34 . 1 1 7 7 ASN HB2 H 1 2.7490 0.005 . 2 . . . A 227 ASN HB2 . 19484 1 35 . 1 1 7 7 ASN HB3 H 1 2.8240 0.005 . 2 . . . A 227 ASN HB3 . 19484 1 36 . 1 1 7 7 ASN HD21 H 1 7.7020 0.005 . 2 . . . A 227 ASN HD21 . 19484 1 37 . 1 1 7 7 ASN HD22 H 1 6.8020 0.005 . 2 . . . A 227 ASN HD22 . 19484 1 38 . 1 1 8 8 LEU H H 1 8.3620 0.005 . 1 . . . A 228 LEU H . 19484 1 39 . 1 1 8 8 LEU HA H 1 4.2790 0.005 . 1 . . . A 228 LEU HA . 19484 1 40 . 1 1 8 8 LEU HB3 H 1 1.5530 0.005 . 2 . . . A 228 LEU HB3 . 19484 1 41 . 1 1 8 8 LEU HG H 1 1.6230 0.005 . 1 . . . A 228 LEU HG . 19484 1 42 . 1 1 8 8 LEU HD11 H 1 0.9240 0.005 . 2 . . . A 228 LEU HD11 . 19484 1 43 . 1 1 8 8 LEU HD12 H 1 0.9240 0.005 . 2 . . . A 228 LEU HD12 . 19484 1 44 . 1 1 8 8 LEU HD13 H 1 0.9240 0.005 . 2 . . . A 228 LEU HD13 . 19484 1 45 . 1 1 8 8 LEU HD21 H 1 0.8700 0.005 . 2 . . . A 228 LEU HD21 . 19484 1 46 . 1 1 8 8 LEU HD22 H 1 0.8700 0.005 . 2 . . . A 228 LEU HD22 . 19484 1 47 . 1 1 8 8 LEU HD23 H 1 0.8700 0.005 . 2 . . . A 228 LEU HD23 . 19484 1 48 . 1 1 9 9 LEU H H 1 8.3330 0.005 . 1 . . . A 229 LEU H . 19484 1 49 . 1 1 9 9 LEU HA H 1 4.2100 0.005 . 1 . . . A 229 LEU HA . 19484 1 50 . 1 1 9 9 LEU HB2 H 1 1.4940 0.005 . 2 . . . A 229 LEU HB2 . 19484 1 51 . 1 1 9 9 LEU HB3 H 1 1.5970 0.005 . 2 . . . A 229 LEU HB3 . 19484 1 52 . 1 1 9 9 LEU HG H 1 1.4420 0.005 . 1 . . . A 229 LEU HG . 19484 1 53 . 1 1 9 9 LEU HD11 H 1 0.8640 0.005 . 2 . . . A 229 LEU HD11 . 19484 1 54 . 1 1 9 9 LEU HD12 H 1 0.8640 0.005 . 2 . . . A 229 LEU HD12 . 19484 1 55 . 1 1 9 9 LEU HD13 H 1 0.8640 0.005 . 2 . . . A 229 LEU HD13 . 19484 1 56 . 1 1 9 9 LEU HD21 H 1 0.8090 0.005 . 2 . . . A 229 LEU HD21 . 19484 1 57 . 1 1 9 9 LEU HD22 H 1 0.8090 0.005 . 2 . . . A 229 LEU HD22 . 19484 1 58 . 1 1 9 9 LEU HD23 H 1 0.8090 0.005 . 2 . . . A 229 LEU HD23 . 19484 1 59 . 1 1 10 10 PHE H H 1 8.4840 0.005 . 1 . . . A 230 PHE H . 19484 1 60 . 1 1 10 10 PHE HA H 1 4.3890 0.005 . 1 . . . A 230 PHE HA . 19484 1 61 . 1 1 10 10 PHE HB2 H 1 3.1360 0.005 . 2 . . . A 230 PHE HB2 . 19484 1 62 . 1 1 10 10 PHE HB3 H 1 3.1840 0.005 . 2 . . . A 230 PHE HB3 . 19484 1 63 . 1 1 10 10 PHE HD1 H 1 7.2370 0.005 . 3 . . . A 230 PHE HD1 . 19484 1 64 . 1 1 10 10 PHE HE1 H 1 7.2550 0.005 . 3 . . . A 230 PHE HE1 . 19484 1 65 . 1 1 10 10 PHE HZ H 1 7.1710 0.005 . 1 . . . A 230 PHE HZ . 19484 1 66 . 1 1 11 11 GLY H H 1 8.4880 0.005 . 1 . . . A 231 GLY H . 19484 1 67 . 1 1 11 11 GLY HA2 H 1 3.7910 0.005 . 2 . . . A 231 GLY HA2 . 19484 1 68 . 1 1 11 11 GLY HA3 H 1 4.0140 0.005 . 2 . . . A 231 GLY HA3 . 19484 1 69 . 1 1 12 12 SER H H 1 8.1020 0.005 . 1 . . . A 232 SER H . 19484 1 70 . 1 1 12 12 SER HA H 1 4.3960 0.005 . 1 . . . A 232 SER HA . 19484 1 71 . 1 1 12 12 SER HB2 H 1 3.8960 0.005 . 2 . . . A 232 SER HB2 . 19484 1 72 . 1 1 12 12 SER HB3 H 1 3.9760 0.005 . 2 . . . A 232 SER HB3 . 19484 1 73 . 1 1 13 13 ILE H H 1 7.9930 0.005 . 1 . . . A 233 ILE H . 19484 1 74 . 1 1 13 13 ILE HA H 1 3.9590 0.005 . 1 . . . A 233 ILE HA . 19484 1 75 . 1 1 13 13 ILE HB H 1 1.9780 0.005 . 1 . . . A 233 ILE HB . 19484 1 76 . 1 1 13 13 ILE HG12 H 1 1.1820 0.005 . 2 . . . A 233 ILE HG12 . 19484 1 77 . 1 1 13 13 ILE HG13 H 1 1.6560 0.005 . 2 . . . A 233 ILE HG13 . 19484 1 78 . 1 1 13 13 ILE HG21 H 1 0.8880 0.005 . 1 . . . A 233 ILE HG21 . 19484 1 79 . 1 1 13 13 ILE HG22 H 1 0.8880 0.005 . 1 . . . A 233 ILE HG22 . 19484 1 80 . 1 1 13 13 ILE HG23 H 1 0.8880 0.005 . 1 . . . A 233 ILE HG23 . 19484 1 81 . 1 1 13 13 ILE HD11 H 1 0.8590 0.005 . 1 . . . A 233 ILE HD11 . 19484 1 82 . 1 1 13 13 ILE HD12 H 1 0.8590 0.005 . 1 . . . A 233 ILE HD12 . 19484 1 83 . 1 1 13 13 ILE HD13 H 1 0.8590 0.005 . 1 . . . A 233 ILE HD13 . 19484 1 84 . 1 1 14 14 ILE H H 1 7.8370 0.005 . 1 . . . A 234 ILE H . 19484 1 85 . 1 1 14 14 ILE HA H 1 3.9890 0.005 . 1 . . . A 234 ILE HA . 19484 1 86 . 1 1 14 14 ILE HB H 1 1.8960 0.005 . 1 . . . A 234 ILE HB . 19484 1 87 . 1 1 14 14 ILE HG12 H 1 1.2050 0.005 . 2 . . . A 234 ILE HG12 . 19484 1 88 . 1 1 14 14 ILE HG13 H 1 1.4930 0.005 . 2 . . . A 234 ILE HG13 . 19484 1 89 . 1 1 14 14 ILE HG21 H 1 0.8910 0.005 . 1 . . . A 234 ILE HG21 . 19484 1 90 . 1 1 14 14 ILE HG22 H 1 0.8910 0.005 . 1 . . . A 234 ILE HG22 . 19484 1 91 . 1 1 14 14 ILE HG23 H 1 0.8910 0.005 . 1 . . . A 234 ILE HG23 . 19484 1 92 . 1 1 14 14 ILE HD11 H 1 0.8150 0.005 . 1 . . . A 234 ILE HD11 . 19484 1 93 . 1 1 14 14 ILE HD12 H 1 0.8150 0.005 . 1 . . . A 234 ILE HD12 . 19484 1 94 . 1 1 14 14 ILE HD13 H 1 0.8150 0.005 . 1 . . . A 234 ILE HD13 . 19484 1 95 . 1 1 15 15 SER H H 1 7.7890 0.005 . 1 . . . A 235 SER H . 19484 1 96 . 1 1 15 15 SER HA H 1 4.3300 0.005 . 1 . . . A 235 SER HA . 19484 1 97 . 1 1 15 15 SER HB2 H 1 3.9000 0.005 . 2 . . . A 235 SER HB2 . 19484 1 98 . 1 1 15 15 SER HB3 H 1 3.9520 0.005 . 2 . . . A 235 SER HB3 . 19484 1 99 . 1 1 16 16 ALA H H 1 7.7290 0.005 . 1 . . . A 236 ALA H . 19484 1 100 . 1 1 16 16 ALA HA H 1 4.3610 0.005 . 1 . . . A 236 ALA HA . 19484 1 101 . 1 1 16 16 ALA HB1 H 1 1.4630 0.005 . 1 . . . A 236 ALA HB1 . 19484 1 102 . 1 1 16 16 ALA HB2 H 1 1.4630 0.005 . 1 . . . A 236 ALA HB2 . 19484 1 103 . 1 1 16 16 ALA HB3 H 1 1.4630 0.005 . 1 . . . A 236 ALA HB3 . 19484 1 104 . 1 1 17 17 VAL H H 1 7.4750 0.005 . 1 . . . A 237 VAL H . 19484 1 105 . 1 1 17 17 VAL HA H 1 4.0620 0.005 . 1 . . . A 237 VAL HA . 19484 1 106 . 1 1 17 17 VAL HB H 1 2.0690 0.005 . 1 . . . A 237 VAL HB . 19484 1 107 . 1 1 17 17 VAL HG11 H 1 0.9160 0.005 . 2 . . . A 237 VAL HG11 . 19484 1 108 . 1 1 17 17 VAL HG12 H 1 0.9160 0.005 . 2 . . . A 237 VAL HG12 . 19484 1 109 . 1 1 17 17 VAL HG13 H 1 0.9160 0.005 . 2 . . . A 237 VAL HG13 . 19484 1 110 . 1 1 17 17 VAL HG21 H 1 0.8350 0.005 . 2 . . . A 237 VAL HG21 . 19484 1 111 . 1 1 17 17 VAL HG22 H 1 0.8350 0.005 . 2 . . . A 237 VAL HG22 . 19484 1 112 . 1 1 17 17 VAL HG23 H 1 0.8350 0.005 . 2 . . . A 237 VAL HG23 . 19484 1 113 . 1 1 18 18 ASP H H 1 8.3300 0.005 . 1 . . . A 238 ASP H . 19484 1 114 . 1 1 18 18 ASP HA H 1 4.9640 0.005 . 1 . . . A 238 ASP HA . 19484 1 115 . 1 1 18 18 ASP HB2 H 1 2.6800 0.005 . 2 . . . A 238 ASP HB2 . 19484 1 116 . 1 1 18 18 ASP HB3 H 1 2.9470 0.005 . 2 . . . A 238 ASP HB3 . 19484 1 117 . 1 1 19 19 PRO HA H 1 4.0690 0.005 . 1 . . . A 239 PRO HA . 19484 1 118 . 1 1 19 19 PRO HB2 H 1 1.9770 0.005 . 2 . . . A 239 PRO HB2 . 19484 1 119 . 1 1 19 19 PRO HB3 H 1 2.0090 0.005 . 2 . . . A 239 PRO HB3 . 19484 1 120 . 1 1 19 19 PRO HG3 H 1 2.2000 0.005 . 2 . . . A 239 PRO HG3 . 19484 1 121 . 1 1 19 19 PRO HD2 H 1 4.0930 0.005 . 2 . . . A 239 PRO HD2 . 19484 1 122 . 1 1 19 19 PRO HD3 H 1 4.1400 0.005 . 2 . . . A 239 PRO HD3 . 19484 1 123 . 1 1 20 20 VAL H H 1 7.9360 0.005 . 1 . . . A 240 VAL H . 19484 1 124 . 1 1 20 20 VAL HA H 1 3.6070 0.005 . 1 . . . A 240 VAL HA . 19484 1 125 . 1 1 20 20 VAL HB H 1 2.2160 0.005 . 1 . . . A 240 VAL HB . 19484 1 126 . 1 1 20 20 VAL HG11 H 1 1.0470 0.005 . 2 . . . A 240 VAL HG11 . 19484 1 127 . 1 1 20 20 VAL HG12 H 1 1.0470 0.005 . 2 . . . A 240 VAL HG12 . 19484 1 128 . 1 1 20 20 VAL HG13 H 1 1.0470 0.005 . 2 . . . A 240 VAL HG13 . 19484 1 129 . 1 1 20 20 VAL HG21 H 1 0.9580 0.005 . 2 . . . A 240 VAL HG21 . 19484 1 130 . 1 1 20 20 VAL HG22 H 1 0.9580 0.005 . 2 . . . A 240 VAL HG22 . 19484 1 131 . 1 1 20 20 VAL HG23 H 1 0.9580 0.005 . 2 . . . A 240 VAL HG23 . 19484 1 132 . 1 1 21 21 ALA H H 1 7.4040 0.005 . 1 . . . A 241 ALA H . 19484 1 133 . 1 1 21 21 ALA HA H 1 4.1930 0.005 . 1 . . . A 241 ALA HA . 19484 1 134 . 1 1 21 21 ALA HB1 H 1 1.5470 0.005 . 1 . . . A 241 ALA HB1 . 19484 1 135 . 1 1 21 21 ALA HB2 H 1 1.5470 0.005 . 1 . . . A 241 ALA HB2 . 19484 1 136 . 1 1 21 21 ALA HB3 H 1 1.5470 0.005 . 1 . . . A 241 ALA HB3 . 19484 1 137 . 1 1 22 22 VAL H H 1 7.5920 0.005 . 1 . . . A 242 VAL H . 19484 1 138 . 1 1 22 22 VAL HA H 1 3.5480 0.005 . 1 . . . A 242 VAL HA . 19484 1 139 . 1 1 22 22 VAL HB H 1 2.1220 0.005 . 1 . . . A 242 VAL HB . 19484 1 140 . 1 1 22 22 VAL HG11 H 1 0.9740 0.005 . 2 . . . A 242 VAL HG11 . 19484 1 141 . 1 1 22 22 VAL HG12 H 1 0.9740 0.005 . 2 . . . A 242 VAL HG12 . 19484 1 142 . 1 1 22 22 VAL HG13 H 1 0.9740 0.005 . 2 . . . A 242 VAL HG13 . 19484 1 143 . 1 1 22 22 VAL HG21 H 1 0.8070 0.005 . 2 . . . A 242 VAL HG21 . 19484 1 144 . 1 1 22 22 VAL HG22 H 1 0.8070 0.005 . 2 . . . A 242 VAL HG22 . 19484 1 145 . 1 1 22 22 VAL HG23 H 1 0.8070 0.005 . 2 . . . A 242 VAL HG23 . 19484 1 146 . 1 1 23 23 LEU H H 1 7.9890 0.005 . 1 . . . A 243 LEU H . 19484 1 147 . 1 1 23 23 LEU HA H 1 4.0190 0.005 . 1 . . . A 243 LEU HA . 19484 1 148 . 1 1 23 23 LEU HB3 H 1 1.7760 0.005 . 2 . . . A 243 LEU HB3 . 19484 1 149 . 1 1 23 23 LEU HG H 1 1.7750 0.005 . 1 . . . A 243 LEU HG . 19484 1 150 . 1 1 23 23 LEU HD11 H 1 0.9670 0.005 . 2 . . . A 243 LEU HD11 . 19484 1 151 . 1 1 23 23 LEU HD12 H 1 0.9670 0.005 . 2 . . . A 243 LEU HD12 . 19484 1 152 . 1 1 23 23 LEU HD13 H 1 0.9670 0.005 . 2 . . . A 243 LEU HD13 . 19484 1 153 . 1 1 23 23 LEU HD21 H 1 0.9130 0.005 . 2 . . . A 243 LEU HD21 . 19484 1 154 . 1 1 23 23 LEU HD22 H 1 0.9130 0.005 . 2 . . . A 243 LEU HD22 . 19484 1 155 . 1 1 23 23 LEU HD23 H 1 0.9130 0.005 . 2 . . . A 243 LEU HD23 . 19484 1 156 . 1 1 24 24 ALA H H 1 7.7160 0.005 . 1 . . . A 244 ALA H . 19484 1 157 . 1 1 24 24 ALA HA H 1 4.1230 0.005 . 1 . . . A 244 ALA HA . 19484 1 158 . 1 1 24 24 ALA HB1 H 1 1.5090 0.005 . 1 . . . A 244 ALA HB1 . 19484 1 159 . 1 1 24 24 ALA HB2 H 1 1.5090 0.005 . 1 . . . A 244 ALA HB2 . 19484 1 160 . 1 1 24 24 ALA HB3 H 1 1.5090 0.005 . 1 . . . A 244 ALA HB3 . 19484 1 161 . 1 1 25 25 VAL H H 1 7.5020 0.005 . 1 . . . A 245 VAL H . 19484 1 162 . 1 1 25 25 VAL HA H 1 3.7840 0.005 . 1 . . . A 245 VAL HA . 19484 1 163 . 1 1 25 25 VAL HB H 1 2.1960 0.005 . 1 . . . A 245 VAL HB . 19484 1 164 . 1 1 25 25 VAL HG11 H 1 1.0470 0.005 . 2 . . . A 245 VAL HG11 . 19484 1 165 . 1 1 25 25 VAL HG12 H 1 1.0470 0.005 . 2 . . . A 245 VAL HG12 . 19484 1 166 . 1 1 25 25 VAL HG13 H 1 1.0470 0.005 . 2 . . . A 245 VAL HG13 . 19484 1 167 . 1 1 25 25 VAL HG21 H 1 0.8220 0.005 . 2 . . . A 245 VAL HG21 . 19484 1 168 . 1 1 25 25 VAL HG22 H 1 0.8220 0.005 . 2 . . . A 245 VAL HG22 . 19484 1 169 . 1 1 25 25 VAL HG23 H 1 0.8220 0.005 . 2 . . . A 245 VAL HG23 . 19484 1 170 . 1 1 26 26 PHE H H 1 7.9860 0.005 . 1 . . . A 246 PHE H . 19484 1 171 . 1 1 26 26 PHE HA H 1 4.2460 0.005 . 1 . . . A 246 PHE HA . 19484 1 172 . 1 1 26 26 PHE HB2 H 1 3.1800 0.005 . 2 . . . A 246 PHE HB2 . 19484 1 173 . 1 1 26 26 PHE HB3 H 1 3.2250 0.005 . 2 . . . A 246 PHE HB3 . 19484 1 174 . 1 1 26 26 PHE HD2 H 1 7.2000 0.005 . 3 . . . A 246 PHE HD2 . 19484 1 175 . 1 1 26 26 PHE HE2 H 1 7.1120 0.005 . 3 . . . A 246 PHE HE2 . 19484 1 176 . 1 1 26 26 PHE HZ H 1 7.0310 0.005 . 1 . . . A 246 PHE HZ . 19484 1 177 . 1 1 27 27 GLU H H 1 8.0630 0.005 . 1 . . . A 247 GLU H . 19484 1 178 . 1 1 27 27 GLU HA H 1 4.0950 0.005 . 1 . . . A 247 GLU HA . 19484 1 179 . 1 1 27 27 GLU HB2 H 1 2.1440 0.005 . 2 . . . A 247 GLU HB2 . 19484 1 180 . 1 1 27 27 GLU HB3 H 1 2.2050 0.005 . 2 . . . A 247 GLU HB3 . 19484 1 181 . 1 1 27 27 GLU HG2 H 1 2.5000 0.005 . 2 . . . A 247 GLU HG2 . 19484 1 182 . 1 1 27 27 GLU HG3 H 1 2.6330 0.005 . 2 . . . A 247 GLU HG3 . 19484 1 183 . 1 1 28 28 GLU H H 1 7.7200 0.005 . 1 . . . A 248 GLU H . 19484 1 184 . 1 1 28 28 GLU HA H 1 4.2950 0.005 . 1 . . . A 248 GLU HA . 19484 1 185 . 1 1 28 28 GLU HB2 H 1 2.1490 0.005 . 2 . . . A 248 GLU HB2 . 19484 1 186 . 1 1 28 28 GLU HB3 H 1 2.2160 0.005 . 2 . . . A 248 GLU HB3 . 19484 1 187 . 1 1 28 28 GLU HG2 H 1 2.4960 0.005 . 2 . . . A 248 GLU HG2 . 19484 1 188 . 1 1 28 28 GLU HG3 H 1 2.5170 0.005 . 2 . . . A 248 GLU HG3 . 19484 1 189 . 1 1 29 29 ILE H H 1 7.3740 0.005 . 1 . . . A 249 ILE H . 19484 1 190 . 1 1 29 29 ILE HA H 1 4.0370 0.005 . 1 . . . A 249 ILE HA . 19484 1 191 . 1 1 29 29 ILE HB H 1 1.9080 0.005 . 1 . . . A 249 ILE HB . 19484 1 192 . 1 1 29 29 ILE HG12 H 1 1.2220 0.005 . 2 . . . A 249 ILE HG12 . 19484 1 193 . 1 1 29 29 ILE HG13 H 1 1.6120 0.005 . 2 . . . A 249 ILE HG13 . 19484 1 194 . 1 1 29 29 ILE HG21 H 1 0.8410 0.005 . 1 . . . A 249 ILE HG21 . 19484 1 195 . 1 1 29 29 ILE HG22 H 1 0.8410 0.005 . 1 . . . A 249 ILE HG22 . 19484 1 196 . 1 1 29 29 ILE HG23 H 1 0.8410 0.005 . 1 . . . A 249 ILE HG23 . 19484 1 197 . 1 1 29 29 ILE HD11 H 1 0.7780 0.005 . 1 . . . A 249 ILE HD11 . 19484 1 198 . 1 1 29 29 ILE HD12 H 1 0.7780 0.005 . 1 . . . A 249 ILE HD12 . 19484 1 199 . 1 1 29 29 ILE HD13 H 1 0.7780 0.005 . 1 . . . A 249 ILE HD13 . 19484 1 200 . 1 1 31 31 ILE H H 1 8.9100 0.005 . 1 . . . A 251 ILE H . 19484 1 201 . 1 1 31 31 ILE HA H 1 3.9020 0.005 . 1 . . . A 251 ILE HA . 19484 1 202 . 1 1 31 31 ILE HB H 1 1.9970 0.005 . 1 . . . A 251 ILE HB . 19484 1 203 . 1 1 31 31 ILE HG12 H 1 1.3660 0.005 . 2 . . . A 251 ILE HG12 . 19484 1 204 . 1 1 31 31 ILE HG13 H 1 1.5560 0.005 . 2 . . . A 251 ILE HG13 . 19484 1 205 . 1 1 31 31 ILE HG21 H 1 0.9710 0.005 . 1 . . . A 251 ILE HG21 . 19484 1 206 . 1 1 31 31 ILE HG22 H 1 0.9710 0.005 . 1 . . . A 251 ILE HG22 . 19484 1 207 . 1 1 31 31 ILE HG23 H 1 0.9710 0.005 . 1 . . . A 251 ILE HG23 . 19484 1 208 . 1 1 31 31 ILE HD11 H 1 0.9060 0.005 . 1 . . . A 251 ILE HD11 . 19484 1 209 . 1 1 31 31 ILE HD12 H 1 0.9060 0.005 . 1 . . . A 251 ILE HD12 . 19484 1 210 . 1 1 31 31 ILE HD13 H 1 0.9060 0.005 . 1 . . . A 251 ILE HD13 . 19484 1 211 . 1 1 32 32 ASN H H 1 8.8010 0.005 . 1 . . . A 252 ASN H . 19484 1 212 . 1 1 32 32 ASN HA H 1 4.3670 0.005 . 1 . . . A 252 ASN HA . 19484 1 213 . 1 1 32 32 ASN HB2 H 1 2.7470 0.005 . 2 . . . A 252 ASN HB2 . 19484 1 214 . 1 1 32 32 ASN HB3 H 1 2.8370 0.005 . 2 . . . A 252 ASN HB3 . 19484 1 215 . 1 1 32 32 ASN HD21 H 1 7.6870 0.005 . 2 . . . A 252 ASN HD21 . 19484 1 216 . 1 1 32 32 ASN HD22 H 1 6.9320 0.005 . 2 . . . A 252 ASN HD22 . 19484 1 217 . 1 1 33 33 GLU H H 1 7.8660 0.005 . 1 . . . A 253 GLU H . 19484 1 218 . 1 1 33 33 GLU HA H 1 4.2310 0.005 . 1 . . . A 253 GLU HA . 19484 1 219 . 1 1 33 33 GLU HB2 H 1 2.1200 0.005 . 2 . . . A 253 GLU HB2 . 19484 1 220 . 1 1 33 33 GLU HB3 H 1 2.3350 0.005 . 2 . . . A 253 GLU HB3 . 19484 1 221 . 1 1 33 33 GLU HG2 H 1 2.4210 0.005 . 2 . . . A 253 GLU HG2 . 19484 1 222 . 1 1 33 33 GLU HG3 H 1 2.5080 0.005 . 2 . . . A 253 GLU HG3 . 19484 1 223 . 1 1 34 34 LEU H H 1 7.9180 0.005 . 1 . . . A 254 LEU H . 19484 1 224 . 1 1 34 34 LEU HA H 1 4.1110 0.005 . 1 . . . A 254 LEU HA . 19484 1 225 . 1 1 34 34 LEU HD11 H 1 0.9250 0.005 . 2 . . . A 254 LEU HD11 . 19484 1 226 . 1 1 34 34 LEU HD12 H 1 0.9250 0.005 . 2 . . . A 254 LEU HD12 . 19484 1 227 . 1 1 34 34 LEU HD13 H 1 0.9250 0.005 . 2 . . . A 254 LEU HD13 . 19484 1 228 . 1 1 34 34 LEU HD21 H 1 0.8900 0.005 . 2 . . . A 254 LEU HD21 . 19484 1 229 . 1 1 34 34 LEU HD22 H 1 0.8900 0.005 . 2 . . . A 254 LEU HD22 . 19484 1 230 . 1 1 34 34 LEU HD23 H 1 0.8900 0.005 . 2 . . . A 254 LEU HD23 . 19484 1 231 . 1 1 35 35 LEU H H 1 8.3640 0.005 . 1 . . . A 255 LEU H . 19484 1 232 . 1 1 35 35 LEU HA H 1 4.0240 0.005 . 1 . . . A 255 LEU HA . 19484 1 233 . 1 1 35 35 LEU HB3 H 1 1.6170 0.005 . 2 . . . A 255 LEU HB3 . 19484 1 234 . 1 1 35 35 LEU HG H 1 1.8570 0.005 . 1 . . . A 255 LEU HG . 19484 1 235 . 1 1 35 35 LEU HD11 H 1 0.9350 0.005 . 2 . . . A 255 LEU HD11 . 19484 1 236 . 1 1 35 35 LEU HD12 H 1 0.9350 0.005 . 2 . . . A 255 LEU HD12 . 19484 1 237 . 1 1 35 35 LEU HD13 H 1 0.9350 0.005 . 2 . . . A 255 LEU HD13 . 19484 1 238 . 1 1 35 35 LEU HD21 H 1 0.8750 0.005 . 2 . . . A 255 LEU HD21 . 19484 1 239 . 1 1 35 35 LEU HD22 H 1 0.8750 0.005 . 2 . . . A 255 LEU HD22 . 19484 1 240 . 1 1 35 35 LEU HD23 H 1 0.8750 0.005 . 2 . . . A 255 LEU HD23 . 19484 1 241 . 1 1 36 36 HIS H H 1 7.8650 0.005 . 1 . . . A 256 HIS H . 19484 1 242 . 1 1 36 36 HIS HA H 1 4.4320 0.005 . 1 . . . A 256 HIS HA . 19484 1 243 . 1 1 36 36 HIS HB3 H 1 3.4080 0.005 . 2 . . . A 256 HIS HB3 . 19484 1 244 . 1 1 36 36 HIS HD2 H 1 7.2900 0.005 . 1 . . . A 256 HIS HD2 . 19484 1 245 . 1 1 37 37 ILE H H 1 7.9550 0.005 . 1 . . . A 257 ILE H . 19484 1 246 . 1 1 37 37 ILE HA H 1 3.8360 0.005 . 1 . . . A 257 ILE HA . 19484 1 247 . 1 1 37 37 ILE HB H 1 2.1480 0.005 . 1 . . . A 257 ILE HB . 19484 1 248 . 1 1 37 37 ILE HG12 H 1 1.2220 0.005 . 2 . . . A 257 ILE HG12 . 19484 1 249 . 1 1 37 37 ILE HG13 H 1 1.8110 0.005 . 2 . . . A 257 ILE HG13 . 19484 1 250 . 1 1 37 37 ILE HG21 H 1 0.9730 0.005 . 1 . . . A 257 ILE HG21 . 19484 1 251 . 1 1 37 37 ILE HG22 H 1 0.9730 0.005 . 1 . . . A 257 ILE HG22 . 19484 1 252 . 1 1 37 37 ILE HG23 H 1 0.9730 0.005 . 1 . . . A 257 ILE HG23 . 19484 1 253 . 1 1 37 37 ILE HD11 H 1 0.9080 0.005 . 1 . . . A 257 ILE HD11 . 19484 1 254 . 1 1 37 37 ILE HD12 H 1 0.9080 0.005 . 1 . . . A 257 ILE HD12 . 19484 1 255 . 1 1 37 37 ILE HD13 H 1 0.9080 0.005 . 1 . . . A 257 ILE HD13 . 19484 1 256 . 1 1 38 38 LEU H H 1 8.0990 0.005 . 1 . . . A 258 LEU H . 19484 1 257 . 1 1 38 38 LEU HA H 1 4.0560 0.005 . 1 . . . A 258 LEU HA . 19484 1 258 . 1 1 38 38 LEU HB3 H 1 1.8860 0.005 . 2 . . . A 258 LEU HB3 . 19484 1 259 . 1 1 38 38 LEU HG H 1 1.6420 0.005 . 1 . . . A 258 LEU HG . 19484 1 260 . 1 1 38 38 LEU HD11 H 1 0.8950 0.005 . 2 . . . A 258 LEU HD11 . 19484 1 261 . 1 1 38 38 LEU HD12 H 1 0.8950 0.005 . 2 . . . A 258 LEU HD12 . 19484 1 262 . 1 1 38 38 LEU HD13 H 1 0.8950 0.005 . 2 . . . A 258 LEU HD13 . 19484 1 263 . 1 1 38 38 LEU HD21 H 1 0.8600 0.005 . 2 . . . A 258 LEU HD21 . 19484 1 264 . 1 1 38 38 LEU HD22 H 1 0.8600 0.005 . 2 . . . A 258 LEU HD22 . 19484 1 265 . 1 1 38 38 LEU HD23 H 1 0.8600 0.005 . 2 . . . A 258 LEU HD23 . 19484 1 266 . 1 1 39 39 VAL H H 1 8.0430 0.005 . 1 . . . A 259 VAL H . 19484 1 267 . 1 1 39 39 VAL HA H 1 3.7610 0.005 . 1 . . . A 259 VAL HA . 19484 1 268 . 1 1 39 39 VAL HB H 1 2.1120 0.005 . 1 . . . A 259 VAL HB . 19484 1 269 . 1 1 39 39 VAL HG11 H 1 1.0630 0.005 . 2 . . . A 259 VAL HG11 . 19484 1 270 . 1 1 39 39 VAL HG12 H 1 1.0630 0.005 . 2 . . . A 259 VAL HG12 . 19484 1 271 . 1 1 39 39 VAL HG13 H 1 1.0630 0.005 . 2 . . . A 259 VAL HG13 . 19484 1 272 . 1 1 39 39 VAL HG21 H 1 0.9170 0.005 . 2 . . . A 259 VAL HG21 . 19484 1 273 . 1 1 39 39 VAL HG22 H 1 0.9170 0.005 . 2 . . . A 259 VAL HG22 . 19484 1 274 . 1 1 39 39 VAL HG23 H 1 0.9170 0.005 . 2 . . . A 259 VAL HG23 . 19484 1 275 . 1 1 40 40 PHE H H 1 7.9880 0.005 . 1 . . . A 260 PHE H . 19484 1 276 . 1 1 40 40 PHE HA H 1 4.4460 0.005 . 1 . . . A 260 PHE HA . 19484 1 277 . 1 1 40 40 PHE HB3 H 1 3.2040 0.005 . 2 . . . A 260 PHE HB3 . 19484 1 278 . 1 1 40 40 PHE HD2 H 1 7.2500 0.005 . 3 . . . A 260 PHE HD2 . 19484 1 279 . 1 1 40 40 PHE HE2 H 1 7.3130 0.005 . 3 . . . A 260 PHE HE2 . 19484 1 280 . 1 1 41 41 GLY H H 1 8.7820 0.005 . 1 . . . A 261 GLY H . 19484 1 281 . 1 1 41 41 GLY HA2 H 1 3.6620 0.005 . 2 . . . A 261 GLY HA2 . 19484 1 282 . 1 1 41 41 GLY HA3 H 1 3.7550 0.005 . 2 . . . A 261 GLY HA3 . 19484 1 283 . 1 1 42 42 GLU H H 1 8.4810 0.005 . 1 . . . A 262 GLU H . 19484 1 284 . 1 1 42 42 GLU HA H 1 3.9040 0.005 . 1 . . . A 262 GLU HA . 19484 1 285 . 1 1 42 42 GLU HB2 H 1 2.2010 0.005 . 2 . . . A 262 GLU HB2 . 19484 1 286 . 1 1 42 42 GLU HB3 H 1 2.2350 0.005 . 2 . . . A 262 GLU HB3 . 19484 1 287 . 1 1 42 42 GLU HG2 H 1 2.3720 0.005 . 2 . . . A 262 GLU HG2 . 19484 1 288 . 1 1 42 42 GLU HG3 H 1 2.5420 0.005 . 2 . . . A 262 GLU HG3 . 19484 1 289 . 1 1 43 43 SER H H 1 8.0130 0.005 . 1 . . . A 263 SER H . 19484 1 290 . 1 1 43 43 SER HA H 1 4.2490 0.005 . 1 . . . A 263 SER HA . 19484 1 291 . 1 1 43 43 SER HB3 H 1 3.9890 0.005 . 2 . . . A 263 SER HB3 . 19484 1 292 . 1 1 44 44 LEU H H 1 7.7410 0.005 . 1 . . . A 264 LEU H . 19484 1 293 . 1 1 44 44 LEU HA H 1 4.1850 0.005 . 1 . . . A 264 LEU HA . 19484 1 294 . 1 1 44 44 LEU HB3 H 1 1.7740 0.005 . 2 . . . A 264 LEU HB3 . 19484 1 295 . 1 1 44 44 LEU HG H 1 1.6020 0.005 . 1 . . . A 264 LEU HG . 19484 1 296 . 1 1 44 44 LEU HD11 H 1 0.8440 0.005 . 2 . . . A 264 LEU HD11 . 19484 1 297 . 1 1 44 44 LEU HD12 H 1 0.8440 0.005 . 2 . . . A 264 LEU HD12 . 19484 1 298 . 1 1 44 44 LEU HD13 H 1 0.8440 0.005 . 2 . . . A 264 LEU HD13 . 19484 1 299 . 1 1 44 44 LEU HD21 H 1 0.8350 0.005 . 2 . . . A 264 LEU HD21 . 19484 1 300 . 1 1 44 44 LEU HD22 H 1 0.8350 0.005 . 2 . . . A 264 LEU HD22 . 19484 1 301 . 1 1 44 44 LEU HD23 H 1 0.8350 0.005 . 2 . . . A 264 LEU HD23 . 19484 1 302 . 1 1 45 45 LEU H H 1 7.9420 0.005 . 1 . . . A 265 LEU H . 19484 1 303 . 1 1 45 45 LEU HA H 1 4.0630 0.005 . 1 . . . A 265 LEU HA . 19484 1 304 . 1 1 45 45 LEU HB3 H 1 1.7540 0.005 . 2 . . . A 265 LEU HB3 . 19484 1 305 . 1 1 45 45 LEU HG H 1 1.6680 0.005 . 1 . . . A 265 LEU HG . 19484 1 306 . 1 1 45 45 LEU HD11 H 1 0.8900 0.005 . 2 . . . A 265 LEU HD11 . 19484 1 307 . 1 1 45 45 LEU HD12 H 1 0.8900 0.005 . 2 . . . A 265 LEU HD12 . 19484 1 308 . 1 1 45 45 LEU HD13 H 1 0.8900 0.005 . 2 . . . A 265 LEU HD13 . 19484 1 309 . 1 1 45 45 LEU HD21 H 1 0.8520 0.005 . 2 . . . A 265 LEU HD21 . 19484 1 310 . 1 1 45 45 LEU HD22 H 1 0.8520 0.005 . 2 . . . A 265 LEU HD22 . 19484 1 311 . 1 1 45 45 LEU HD23 H 1 0.8520 0.005 . 2 . . . A 265 LEU HD23 . 19484 1 312 . 1 1 46 46 ASN H H 1 8.1480 0.005 . 1 . . . A 266 ASN H . 19484 1 313 . 1 1 46 46 ASN HA H 1 4.3970 0.005 . 1 . . . A 266 ASN HA . 19484 1 314 . 1 1 46 46 ASN HB2 H 1 2.8270 0.005 . 2 . . . A 266 ASN HB2 . 19484 1 315 . 1 1 46 46 ASN HB3 H 1 2.8860 0.005 . 2 . . . A 266 ASN HB3 . 19484 1 316 . 1 1 46 46 ASN HD21 H 1 7.5890 0.005 . 2 . . . A 266 ASN HD21 . 19484 1 317 . 1 1 46 46 ASN HD22 H 1 6.7890 0.005 . 2 . . . A 266 ASN HD22 . 19484 1 318 . 1 1 47 47 ASP H H 1 8.2390 0.005 . 1 . . . A 267 ASP H . 19484 1 319 . 1 1 47 47 ASP HA H 1 4.4680 0.005 . 1 . . . A 267 ASP HA . 19484 1 320 . 1 1 47 47 ASP HB2 H 1 2.7010 0.005 . 2 . . . A 267 ASP HB2 . 19484 1 321 . 1 1 47 47 ASP HB3 H 1 2.9170 0.005 . 2 . . . A 267 ASP HB3 . 19484 1 322 . 1 1 48 48 ALA H H 1 8.2430 0.005 . 1 . . . A 268 ALA H . 19484 1 323 . 1 1 48 48 ALA HA H 1 4.1160 0.005 . 1 . . . A 268 ALA HA . 19484 1 324 . 1 1 48 48 ALA HB1 H 1 1.4980 0.005 . 1 . . . A 268 ALA HB1 . 19484 1 325 . 1 1 48 48 ALA HB2 H 1 1.4980 0.005 . 1 . . . A 268 ALA HB2 . 19484 1 326 . 1 1 48 48 ALA HB3 H 1 1.4980 0.005 . 1 . . . A 268 ALA HB3 . 19484 1 327 . 1 1 49 49 VAL H H 1 8.2490 0.005 . 1 . . . A 269 VAL H . 19484 1 328 . 1 1 49 49 VAL HA H 1 3.6860 0.005 . 1 . . . A 269 VAL HA . 19484 1 329 . 1 1 49 49 VAL HB H 1 2.2560 0.005 . 1 . . . A 269 VAL HB . 19484 1 330 . 1 1 49 49 VAL HG11 H 1 1.0780 0.005 . 2 . . . A 269 VAL HG11 . 19484 1 331 . 1 1 49 49 VAL HG12 H 1 1.0780 0.005 . 2 . . . A 269 VAL HG12 . 19484 1 332 . 1 1 49 49 VAL HG13 H 1 1.0780 0.005 . 2 . . . A 269 VAL HG13 . 19484 1 333 . 1 1 49 49 VAL HG21 H 1 0.9780 0.005 . 2 . . . A 269 VAL HG21 . 19484 1 334 . 1 1 49 49 VAL HG22 H 1 0.9780 0.005 . 2 . . . A 269 VAL HG22 . 19484 1 335 . 1 1 49 49 VAL HG23 H 1 0.9780 0.005 . 2 . . . A 269 VAL HG23 . 19484 1 336 . 1 1 50 50 THR H H 1 7.9820 0.005 . 1 . . . A 270 THR H . 19484 1 337 . 1 1 50 50 THR HA H 1 3.9850 0.005 . 1 . . . A 270 THR HA . 19484 1 338 . 1 1 50 50 THR HB H 1 4.3440 0.005 . 1 . . . A 270 THR HB . 19484 1 339 . 1 1 50 50 THR HG21 H 1 1.2680 0.005 . 1 . . . A 270 THR HG21 . 19484 1 340 . 1 1 50 50 THR HG22 H 1 1.2680 0.005 . 1 . . . A 270 THR HG22 . 19484 1 341 . 1 1 50 50 THR HG23 H 1 1.2680 0.005 . 1 . . . A 270 THR HG23 . 19484 1 342 . 1 1 51 51 VAL H H 1 7.7200 0.005 . 1 . . . A 271 VAL H . 19484 1 343 . 1 1 51 51 VAL HA H 1 3.8850 0.005 . 1 . . . A 271 VAL HA . 19484 1 344 . 1 1 51 51 VAL HB H 1 2.2150 0.005 . 1 . . . A 271 VAL HB . 19484 1 345 . 1 1 51 51 VAL HG11 H 1 1.0670 0.005 . 2 . . . A 271 VAL HG11 . 19484 1 346 . 1 1 51 51 VAL HG12 H 1 1.0670 0.005 . 2 . . . A 271 VAL HG12 . 19484 1 347 . 1 1 51 51 VAL HG13 H 1 1.0670 0.005 . 2 . . . A 271 VAL HG13 . 19484 1 348 . 1 1 51 51 VAL HG21 H 1 0.9700 0.005 . 2 . . . A 271 VAL HG21 . 19484 1 349 . 1 1 51 51 VAL HG22 H 1 0.9700 0.005 . 2 . . . A 271 VAL HG22 . 19484 1 350 . 1 1 51 51 VAL HG23 H 1 0.9700 0.005 . 2 . . . A 271 VAL HG23 . 19484 1 351 . 1 1 52 52 VAL H H 1 7.7920 0.005 . 1 . . . A 272 VAL H . 19484 1 352 . 1 1 52 52 VAL HA H 1 3.8790 0.005 . 1 . . . A 272 VAL HA . 19484 1 353 . 1 1 52 52 VAL HB H 1 2.1500 0.005 . 1 . . . A 272 VAL HB . 19484 1 354 . 1 1 52 52 VAL HG11 H 1 1.0420 0.005 . 2 . . . A 272 VAL HG11 . 19484 1 355 . 1 1 52 52 VAL HG12 H 1 1.0420 0.005 . 2 . . . A 272 VAL HG12 . 19484 1 356 . 1 1 52 52 VAL HG13 H 1 1.0420 0.005 . 2 . . . A 272 VAL HG13 . 19484 1 357 . 1 1 52 52 VAL HG21 H 1 0.9420 0.005 . 2 . . . A 272 VAL HG21 . 19484 1 358 . 1 1 52 52 VAL HG22 H 1 0.9420 0.005 . 2 . . . A 272 VAL HG22 . 19484 1 359 . 1 1 52 52 VAL HG23 H 1 0.9420 0.005 . 2 . . . A 272 VAL HG23 . 19484 1 360 . 1 1 53 53 LEU H H 1 8.0490 0.005 . 1 . . . A 273 LEU H . 19484 1 361 . 1 1 53 53 LEU HA H 1 4.2150 0.005 . 1 . . . A 273 LEU HA . 19484 1 362 . 1 1 53 53 LEU HB3 H 1 1.6120 0.005 . 2 . . . A 273 LEU HB3 . 19484 1 363 . 1 1 53 53 LEU HG H 1 1.2850 0.005 . 1 . . . A 273 LEU HG . 19484 1 364 . 1 1 53 53 LEU HD11 H 1 0.8600 0.005 . 2 . . . A 273 LEU HD11 . 19484 1 365 . 1 1 53 53 LEU HD12 H 1 0.8600 0.005 . 2 . . . A 273 LEU HD12 . 19484 1 366 . 1 1 53 53 LEU HD13 H 1 0.8600 0.005 . 2 . . . A 273 LEU HD13 . 19484 1 367 . 1 1 53 53 LEU HD21 H 1 0.8060 0.005 . 2 . . . A 273 LEU HD21 . 19484 1 368 . 1 1 53 53 LEU HD22 H 1 0.8060 0.005 . 2 . . . A 273 LEU HD22 . 19484 1 369 . 1 1 53 53 LEU HD23 H 1 0.8060 0.005 . 2 . . . A 273 LEU HD23 . 19484 1 370 . 1 1 54 54 TYR H H 1 7.7210 0.005 . 1 . . . A 274 TYR H . 19484 1 371 . 1 1 54 54 TYR HA H 1 4.6010 0.005 . 1 . . . A 274 TYR HA . 19484 1 372 . 1 1 54 54 TYR HB2 H 1 3.0430 0.005 . 2 . . . A 274 TYR HB2 . 19484 1 373 . 1 1 54 54 TYR HB3 H 1 3.1560 0.005 . 2 . . . A 274 TYR HB3 . 19484 1 374 . 1 1 54 54 TYR HD2 H 1 7.1430 0.005 . 3 . . . A 274 TYR HD2 . 19484 1 375 . 1 1 54 54 TYR HE2 H 1 6.7860 0.005 . 3 . . . A 274 TYR HE2 . 19484 1 376 . 1 1 55 55 LYS H H 1 7.8320 0.005 . 1 . . . A 275 LYS H . 19484 1 377 . 1 1 55 55 LYS HA H 1 4.2480 0.005 . 1 . . . A 275 LYS HA . 19484 1 378 . 1 1 55 55 LYS HB3 H 1 1.8270 0.005 . 2 . . . A 275 LYS HB3 . 19484 1 379 . 1 1 55 55 LYS HG3 H 1 1.4120 0.005 . 2 . . . A 275 LYS HG3 . 19484 1 380 . 1 1 55 55 LYS HD3 H 1 1.6770 0.005 . 2 . . . A 275 LYS HD3 . 19484 1 381 . 1 1 56 56 LYS H H 1 8.1740 0.005 . 1 . . . A 276 LYS H . 19484 1 382 . 1 1 56 56 LYS HA H 1 4.2730 0.005 . 1 . . . A 276 LYS HA . 19484 1 383 . 1 1 56 56 LYS HB2 H 1 1.7590 0.005 . 2 . . . A 276 LYS HB2 . 19484 1 384 . 1 1 56 56 LYS HB3 H 1 1.8640 0.005 . 2 . . . A 276 LYS HB3 . 19484 1 385 . 1 1 56 56 LYS HG3 H 1 1.4660 0.005 . 2 . . . A 276 LYS HG3 . 19484 1 386 . 1 1 56 56 LYS HD3 H 1 1.6810 0.005 . 2 . . . A 276 LYS HD3 . 19484 1 387 . 1 1 57 57 LYS H H 1 7.8950 0.005 . 1 . . . A 277 LYS H . 19484 1 388 . 1 1 57 57 LYS HA H 1 4.1240 0.005 . 1 . . . A 277 LYS HA . 19484 1 389 . 1 1 57 57 LYS HB2 H 1 1.7090 0.005 . 2 . . . A 277 LYS HB2 . 19484 1 390 . 1 1 57 57 LYS HB3 H 1 1.7880 0.005 . 2 . . . A 277 LYS HB3 . 19484 1 391 . 1 1 57 57 LYS HG3 H 1 1.4010 0.005 . 2 . . . A 277 LYS HG3 . 19484 1 392 . 1 1 57 57 LYS HD3 H 1 1.6720 0.005 . 2 . . . A 277 LYS HD3 . 19484 1 393 . 1 1 57 57 LYS HE3 H 1 2.9800 0.005 . 2 . . . A 277 LYS HE3 . 19484 1 stop_ save_