data_19315 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19315 _Entry.Title ; Solution Structure of the Catalytic Domain of HHARI ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-09 _Entry.Accession_date 2013-07-09 _Entry.Last_release_date 2013-11-11 _Entry.Original_release_date 2013-11-11 _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 Pascal Mercier . . . 19315 2 Donald Spratt . E. . 19315 3 Gary Shaw . S. . 19315 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' . 19315 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'E3 ligase' . 19315 HHARI . 19315 RING2 . 19315 Zn-binding . 19315 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19315 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 222 19315 '15N chemical shifts' 87 19315 '1H chemical shifts' 420 19315 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 . . 2013-11-11 2013-06-21 original author . 19315 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19315 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24058416 _Citation.Full_citation . _Citation.Title 'Structure of the HHARI catalytic domain shows glimpses of a HECT E3 ligase' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue 8 _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 e74047 _Citation.Page_last e74047 _Citation.Year 2013 _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 Donald Spratt . E. . 19315 1 2 Pascal Mercier . . . 19315 1 3 Shaw Gary . S. . 19315 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19315 _Assembly.ID 1 _Assembly.Name 'HHARI Catalytic Domain' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 'HHARI Catalytic Domain' 1 $entity_1 A . yes native no no . . . 19315 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 19315 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 19315 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 50 50 SG . 2 . 2 ZN 1 1 ZN . . 372 CYS SG . . 402 . ZN 19315 1 2 disulfide single . 1 . 1 HIS 60 60 NE2 . 2 . 2 ZN 1 1 ZN . . 382 HIS NE2 . . 402 . ZN 19315 1 3 disulfide single . 1 . 1 CYS 67 67 SG . 2 . 2 ZN 1 1 ZN . . 389 CYS SG . . 402 . ZN 19315 1 4 disulfide single . 1 . 1 CYS 53 53 SG . 2 . 2 ZN 1 1 ZN . . 375 CYS SG . . 402 . ZN 19315 1 5 disulfide single . 1 . 1 CYS 40 40 SG . 3 . 2 ZN 1 1 ZN . . 362 CYS SG . . 401 . ZN 19315 1 6 disulfide single . 1 . 1 CYS 22 22 SG . 3 . 2 ZN 1 1 ZN . . 344 CYS SG . . 401 . ZN 19315 1 7 disulfide single . 1 . 1 CYS 25 25 SG . 3 . 2 ZN 1 1 ZN . . 347 CYS SG . . 401 . ZN 19315 1 8 disulfide single . 1 . 1 CYS 45 45 SG . 3 . 2 ZN 1 1 ZN . . 367 CYS SG . . 401 . ZN 19315 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19315 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSKKCDDDSETSNWIAANTK ECPKCHVTIEKDGGSNHMVC RNQNCKAEFCWVCLGPWEPH GSAWYNCNRYNEDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 323-324 (N-terminal "GS") results from cloning and remains in the intact protein after TEV cleavage.' _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8439.303 _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 1WD2 . "Solution Structure Of The C-Terminal Ring From A Ring-Ibr- Ring (Triad) Motif" . . . . . 79.73 60 98.31 98.31 1.34e-34 . . . . 19315 1 2 no PDB 2M9Y . "Solution Structure Of The Catalytic Domain Of Hhari" . . . . . 100.00 74 100.00 100.00 1.86e-46 . . . . 19315 1 3 no PDB 4KBL . "Structure Of Hhari, A Ring-ibr-ring Ubiquitin Ligase: Autoinhibition Of An Ariadne-family E3 And Insights Into Ligation Mechani" . . . . . 97.30 559 98.61 98.61 2.75e-42 . . . . 19315 1 4 no PDB 4KC9 . "Structure Of Hhari, A Ring-ibr-ring Ubiquitin Ligase: Autoinhibition Of An Ariadne-family E3 And Insights Into Ligation Mechani" . . . . . 97.30 559 97.22 97.22 5.40e-41 . . . . 19315 1 5 no DBJ BAD92669 . "Ariadne-1 protein homolog variant [Homo sapiens]" . . . . . 97.30 526 98.61 98.61 1.79e-42 . . . . 19315 1 6 no DBJ BAG35590 . "unnamed protein product [Homo sapiens]" . . . . . 97.30 557 98.61 98.61 3.25e-42 . . . . 19315 1 7 no EMBL CAA08817 . "putative RING finger protein [Homo sapiens]" . . . . . 97.30 260 98.61 98.61 8.51e-45 . . . . 19315 1 8 no EMBL CAA10274 . "Ariadne protein (ARI) [Homo sapiens]" . . . . . 97.30 463 98.61 98.61 7.69e-43 . . . . 19315 1 9 no EMBL CAB45870 . "UbcH 7-binding protein [Homo sapiens]" . . . . . 97.30 557 98.61 98.61 3.52e-42 . . . . 19315 1 10 no EMBL CAF98343 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 97.30 600 98.61 98.61 3.89e-42 . . . . 19315 1 11 no EMBL CAH65069 . "hypothetical protein RCJMB04_2l18 [Gallus gallus]" . . . . . 97.30 349 98.61 98.61 2.57e-43 . . . . 19315 1 12 no GB AAD28088 . "UbcH 7-binding protein [Homo sapiens]" . . . . . 97.30 557 98.61 98.61 3.18e-42 . . . . 19315 1 13 no GB AAH38034 . "Ariadne ubiquitin-conjugating enzyme E2 binding protein homolog 1 (Drosophila) [Mus musculus]" . . . . . 97.30 445 98.61 98.61 7.98e-43 . . . . 19315 1 14 no GB AAH51877 . "Ariadne homolog, ubiquitin-conjugating enzyme E2 binding protein, 1 (Drosophila) [Homo sapiens]" . . . . . 97.30 557 98.61 98.61 3.25e-42 . . . . 19315 1 15 no GB AAH57523 . "Ariadne ubiquitin-conjugating enzyme E2 binding protein homolog 1 (Drosophila) [Danio rerio]" . . . . . 97.30 527 98.61 98.61 2.06e-42 . . . . 19315 1 16 no GB AAH57680 . "Arih1 protein [Mus musculus]" . . . . . 97.30 555 98.61 98.61 3.12e-42 . . . . 19315 1 17 no REF NP_001013126 . "E3 ubiquitin-protein ligase ARIH1 [Rattus norvegicus]" . . . . . 97.30 555 98.61 98.61 3.12e-42 . . . . 19315 1 18 no REF NP_001025558 . "ariadne RBR E3 ubiquitin protein ligase 1 [Gallus gallus]" . . . . . 97.30 349 98.61 98.61 2.57e-43 . . . . 19315 1 19 no REF NP_001075183 . "E3 ubiquitin-protein ligase ARIH1 [Bos taurus]" . . . . . 97.30 555 98.61 98.61 3.12e-42 . . . . 19315 1 20 no REF NP_001089823 . "E3 ubiquitin-protein ligase arih1 [Xenopus laevis]" . . . . . 97.30 529 98.61 98.61 1.91e-42 . . . . 19315 1 21 no REF NP_001116952 . "E3 ubiquitin-protein ligase arih1 [Xenopus (Silurana) tropicalis]" . . . . . 97.30 529 98.61 98.61 1.91e-42 . . . . 19315 1 22 no SP A2VEA3 . "RecName: Full=E3 ubiquitin-protein ligase ARIH1; AltName: Full=Protein ariadne-1 homolog; Short=ARI-1" . . . . . 97.30 555 98.61 98.61 3.12e-42 . . . . 19315 1 23 no SP B1H1E4 . "RecName: Full=E3 ubiquitin-protein ligase arih1; AltName: Full=Protein ariadne-1 homolog; Short=ARI-1" . . . . . 97.30 529 98.61 98.61 1.91e-42 . . . . 19315 1 24 no SP Q32NS4 . "RecName: Full=E3 ubiquitin-protein ligase arih1; AltName: Full=Protein ariadne-1 homolog; Short=ARI-1" . . . . . 97.30 529 98.61 98.61 1.91e-42 . . . . 19315 1 25 no SP Q6NW85 . "RecName: Full=E3 ubiquitin-protein ligase arih1l" . . . . . 97.30 533 98.61 98.61 2.91e-42 . . . . 19315 1 26 no SP Q6PFJ9 . "RecName: Full=E3 ubiquitin-protein ligase arih1; AltName: Full=Protein ariadne-1 homolog; Short=ARI-1" . . . . . 97.30 527 98.61 98.61 2.06e-42 . . . . 19315 1 27 no TPG DAA25726 . "TPA: protein ariadne-1 homolog [Bos taurus]" . . . . . 97.30 555 98.61 98.61 3.12e-42 . . . . 19315 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 1 323 GLY . 19315 1 2 324 SER . 19315 1 3 325 LYS . 19315 1 4 326 LYS . 19315 1 5 327 CYS . 19315 1 6 328 ASP . 19315 1 7 329 ASP . 19315 1 8 330 ASP . 19315 1 9 331 SER . 19315 1 10 332 GLU . 19315 1 11 333 THR . 19315 1 12 334 SER . 19315 1 13 335 ASN . 19315 1 14 336 TRP . 19315 1 15 337 ILE . 19315 1 16 338 ALA . 19315 1 17 339 ALA . 19315 1 18 340 ASN . 19315 1 19 341 THR . 19315 1 20 342 LYS . 19315 1 21 343 GLU . 19315 1 22 344 CYS . 19315 1 23 345 PRO . 19315 1 24 346 LYS . 19315 1 25 347 CYS . 19315 1 26 348 HIS . 19315 1 27 349 VAL . 19315 1 28 350 THR . 19315 1 29 351 ILE . 19315 1 30 352 GLU . 19315 1 31 353 LYS . 19315 1 32 354 ASP . 19315 1 33 355 GLY . 19315 1 34 356 GLY . 19315 1 35 357 SER . 19315 1 36 358 ASN . 19315 1 37 359 HIS . 19315 1 38 360 MET . 19315 1 39 361 VAL . 19315 1 40 362 CYS . 19315 1 41 363 ARG . 19315 1 42 364 ASN . 19315 1 43 365 GLN . 19315 1 44 366 ASN . 19315 1 45 367 CYS . 19315 1 46 368 LYS . 19315 1 47 369 ALA . 19315 1 48 370 GLU . 19315 1 49 371 PHE . 19315 1 50 372 CYS . 19315 1 51 373 TRP . 19315 1 52 374 VAL . 19315 1 53 375 CYS . 19315 1 54 376 LEU . 19315 1 55 377 GLY . 19315 1 56 378 PRO . 19315 1 57 379 TRP . 19315 1 58 380 GLU . 19315 1 59 381 PRO . 19315 1 60 382 HIS . 19315 1 61 383 GLY . 19315 1 62 384 SER . 19315 1 63 385 ALA . 19315 1 64 386 TRP . 19315 1 65 387 TYR . 19315 1 66 388 ASN . 19315 1 67 389 CYS . 19315 1 68 390 ASN . 19315 1 69 391 ARG . 19315 1 70 392 TYR . 19315 1 71 393 ASN . 19315 1 72 394 GLU . 19315 1 73 395 ASP . 19315 1 74 396 ASP . 19315 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 19315 1 . SER 2 2 19315 1 . LYS 3 3 19315 1 . LYS 4 4 19315 1 . CYS 5 5 19315 1 . ASP 6 6 19315 1 . ASP 7 7 19315 1 . ASP 8 8 19315 1 . SER 9 9 19315 1 . GLU 10 10 19315 1 . THR 11 11 19315 1 . SER 12 12 19315 1 . ASN 13 13 19315 1 . TRP 14 14 19315 1 . ILE 15 15 19315 1 . ALA 16 16 19315 1 . ALA 17 17 19315 1 . ASN 18 18 19315 1 . THR 19 19 19315 1 . LYS 20 20 19315 1 . GLU 21 21 19315 1 . CYS 22 22 19315 1 . PRO 23 23 19315 1 . LYS 24 24 19315 1 . CYS 25 25 19315 1 . HIS 26 26 19315 1 . VAL 27 27 19315 1 . THR 28 28 19315 1 . ILE 29 29 19315 1 . GLU 30 30 19315 1 . LYS 31 31 19315 1 . ASP 32 32 19315 1 . GLY 33 33 19315 1 . GLY 34 34 19315 1 . SER 35 35 19315 1 . ASN 36 36 19315 1 . HIS 37 37 19315 1 . MET 38 38 19315 1 . VAL 39 39 19315 1 . CYS 40 40 19315 1 . ARG 41 41 19315 1 . ASN 42 42 19315 1 . GLN 43 43 19315 1 . ASN 44 44 19315 1 . CYS 45 45 19315 1 . LYS 46 46 19315 1 . ALA 47 47 19315 1 . GLU 48 48 19315 1 . PHE 49 49 19315 1 . CYS 50 50 19315 1 . TRP 51 51 19315 1 . VAL 52 52 19315 1 . CYS 53 53 19315 1 . LEU 54 54 19315 1 . GLY 55 55 19315 1 . PRO 56 56 19315 1 . TRP 57 57 19315 1 . GLU 58 58 19315 1 . PRO 59 59 19315 1 . HIS 60 60 19315 1 . GLY 61 61 19315 1 . SER 62 62 19315 1 . ALA 63 63 19315 1 . TRP 64 64 19315 1 . TYR 65 65 19315 1 . ASN 66 66 19315 1 . CYS 67 67 19315 1 . ASN 68 68 19315 1 . ARG 69 69 19315 1 . TYR 70 70 19315 1 . ASN 71 71 19315 1 . GLU 72 72 19315 1 . ASP 73 73 19315 1 . ASP 74 74 19315 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19315 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19315 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19315 2 ZN 'Three letter code' 19315 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 19315 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19315 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19315 _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_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3)-RIL . . . . . . . . . . . . . . . . . . . . 19315 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 19315 _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_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-6P-2 . . . . . . 19315 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 19315 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 19315 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19315 ZN [Zn++] SMILES CACTVS 3.341 19315 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19315 ZN [Zn+2] SMILES ACDLabs 10.04 19315 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19315 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19315 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19315 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19315 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19315 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19315 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N-HHARI RING2' _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 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19315 1 2 'sodium chloride' 'natural abundance' . . . . . . 120 . . mM . . . . 19315 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19315 1 4 entity_1 '[U-98% 15N]' . . 1 $entity_1 . . 2.3 . . mM . . . . 19315 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19315 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C,15N-HHARI RING2' _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 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19315 2 2 'sodium chloride' 'natural abundance' . . . . . . 120 . . mM . . . . 19315 2 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19315 2 4 entity_1 '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 2.3 . . mM . . . . 19315 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 19315 _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' 0.120 . M 19315 1 pH 6.5 . pH 19315 1 pressure 1 . atm 19315 1 temperature 298 . K 19315 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19315 _Software.ID 1 _Software.Name VNMRJ _Software.Version 'Varian VnmrJ 2.2D' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . www.agilent.com 19315 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19315 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19315 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2013.021.23.09 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19315 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19315 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19315 _Software.ID 3 _Software.Name NMRDraw _Software.Version 'Ver 7.9 Rev 2013.021.23.09' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19315 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19315 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19315 _Software.ID 4 _Software.Name NMRView _Software.Version 9.0.0beta76 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . www.onemoonscientific.com 19315 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19315 4 'data analysis' 19315 4 'peak picking' 19315 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19315 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . http://www.cyana.org 19315 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19315 5 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19315 _Software.ID 6 _Software.Name 'X-PLOR NIH' _Software.Version 2.33 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . http://nmr.cit.nih.gov/xplor-nih/ 19315 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19315 6 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 19315 _Software.ID 7 _Software.Name Procheck _Software.Version 3.5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . http://www.ebi.ac.uk/thornton-srv/software/PROCHECK/ 19315 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19315 7 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 19315 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '13C-enhanced triple resonance cold probe with z-gradients' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 19315 _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 . 600 '13C-enhanced triple resonance cold probe with z-gradients' . . 19315 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 19315 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19315 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19315 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19315 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19315 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19315 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19315 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19315 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19315 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19315 1 10 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19315 1 11 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19315 1 12 '2D HCN' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19315 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 19315 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19315 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19315 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19315 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 19315 _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 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _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 '1H and 13C errors correspond to the peak ID tolerances used in the program Cyana, not the digital resolution' _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' . . . 19315 1 2 '2D 1H-13C HSQC aliphatic' . . . 19315 1 3 '2D 1H-13C HSQC aromatic' . . . 19315 1 4 '3D 1H-15N NOESY' . . . 19315 1 5 '3D 1H-13C NOESY aliphatic' . . . 19315 1 6 '3D 1H-13C NOESY aromatic' . . . 19315 1 7 '3D HNCACB' . . . 19315 1 8 '3D CBCA(CO)NH' . . . 19315 1 9 '3D 1H-13C NOESY aliphatic' . . . 19315 1 10 '2D (HB)CB(CGCD)HD' . . . 19315 1 11 '2D (HB)CB(CGCDCE)HE' . . . 19315 1 12 '2D HCN' . . . 19315 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 2 2 SER CA C 13 58.4620 0.4 . 1 . 54391 . A 324 SER CA . 19315 1 2 . 1 1 2 2 SER CB C 13 64.0650 0.4 . 1 . 54388 . A 324 SER CB . 19315 1 3 . 1 1 3 3 LYS H H 1 8.4440 0.025 . 1 . 54387 . A 325 LYS H . 19315 1 4 . 1 1 3 3 LYS HA H 1 4.5190 0.025 . 1 . . . A 325 LYS HA . 19315 1 5 . 1 1 3 3 LYS CA C 13 56.5360 0.4 . 1 . 52824 . A 325 LYS CA . 19315 1 6 . 1 1 3 3 LYS CB C 13 33.1170 0.4 . 1 . 54403 . A 325 LYS CB . 19315 1 7 . 1 1 3 3 LYS N N 15 123.5600 0.4 . 1 . 54389 . A 325 LYS N . 19315 1 8 . 1 1 4 4 LYS H H 1 8.5160 0.025 . 1 . 53426 . A 326 LYS H . 19315 1 9 . 1 1 4 4 LYS HA H 1 4.3630 0.025 . 1 . . . A 326 LYS HA . 19315 1 10 . 1 1 4 4 LYS HB2 H 1 1.7630 0.025 . 2 . . . A 326 LYS HB2 . 19315 1 11 . 1 1 4 4 LYS HB3 H 1 1.8260 0.025 . 2 . . . A 326 LYS HB3 . 19315 1 12 . 1 1 4 4 LYS HG2 H 1 1.4470 0.025 . 2 . . . A 326 LYS HG2 . 19315 1 13 . 1 1 4 4 LYS CA C 13 56.6170 0.4 . 1 . 53487 . A 326 LYS CA . 19315 1 14 . 1 1 4 4 LYS CB C 13 33.0800 0.4 . 1 . 52821 . A 326 LYS CB . 19315 1 15 . 1 1 4 4 LYS N N 15 123.8880 0.4 . 1 . 53428 . A 326 LYS N . 19315 1 16 . 1 1 5 5 CYS H H 1 8.4640 0.025 . 1 . 53540 . A 327 CYS H . 19315 1 17 . 1 1 5 5 CYS HA H 1 4.5050 0.025 . 1 . . . A 327 CYS HA . 19315 1 18 . 1 1 5 5 CYS HB2 H 1 2.9540 0.025 . 2 . . . A 327 CYS HB2 . 19315 1 19 . 1 1 5 5 CYS CA C 13 58.3500 0.4 . 1 . 53757 . A 327 CYS CA . 19315 1 20 . 1 1 5 5 CYS CB C 13 28.2300 0.4 . 1 . 53010 . A 327 CYS CB . 19315 1 21 . 1 1 5 5 CYS N N 15 120.5450 0.4 . 1 . 53542 . A 327 CYS N . 19315 1 22 . 1 1 6 6 ASP H H 1 8.4620 0.025 . 1 . 53468 . A 328 ASP H . 19315 1 23 . 1 1 6 6 ASP HA H 1 4.5340 0.025 . 1 . . . A 328 ASP HA . 19315 1 24 . 1 1 6 6 ASP HB2 H 1 2.7500 0.025 . 2 . . . A 328 ASP HB2 . 19315 1 25 . 1 1 6 6 ASP HB3 H 1 2.6610 0.025 . 2 . . . A 328 ASP HB3 . 19315 1 26 . 1 1 6 6 ASP CA C 13 54.5560 0.4 . 1 . 53088 . A 328 ASP CA . 19315 1 27 . 1 1 6 6 ASP CB C 13 40.9820 0.4 . 1 . 53580 . A 328 ASP CB . 19315 1 28 . 1 1 6 6 ASP N N 15 122.7770 0.4 . 1 . 53470 . A 328 ASP N . 19315 1 29 . 1 1 7 7 ASP H H 1 8.1750 0.025 . 1 . 53908 . A 329 ASP H . 19315 1 30 . 1 1 7 7 ASP HA H 1 4.6270 0.025 . 1 . . . A 329 ASP HA . 19315 1 31 . 1 1 7 7 ASP HB2 H 1 2.7090 0.025 . 2 . . . A 329 ASP HB2 . 19315 1 32 . 1 1 7 7 ASP CA C 13 54.5560 0.4 . 1 . 60999 . A 329 ASP CA . 19315 1 33 . 1 1 7 7 ASP CB C 13 41.2650 0.4 . 1 . 60998 . A 329 ASP CB . 19315 1 34 . 1 1 7 7 ASP N N 15 120.2510 0.4 . 1 . 53909 . A 329 ASP N . 19315 1 35 . 1 1 8 8 ASP HB2 H 1 2.7330 0.025 . 2 . . . A 330 ASP HB2 . 19315 1 36 . 1 1 8 8 ASP CA C 13 54.5440 0.4 . 1 . 53322 . A 330 ASP CA . 19315 1 37 . 1 1 8 8 ASP CB C 13 40.8620 0.4 . 1 . 60345 . A 330 ASP CB . 19315 1 38 . 1 1 9 9 SER H H 1 8.3060 0.025 . 1 . 53627 . A 331 SER H . 19315 1 39 . 1 1 9 9 SER HA H 1 4.3690 0.025 . 1 . . . A 331 SER HA . 19315 1 40 . 1 1 9 9 SER HB2 H 1 3.9240 0.025 . 2 . . . A 331 SER HB2 . 19315 1 41 . 1 1 9 9 SER HB3 H 1 3.8750 0.025 . 2 . . . A 331 SER HB3 . 19315 1 42 . 1 1 9 9 SER CA C 13 59.4150 0.4 . 1 . 61862 . A 331 SER CA . 19315 1 43 . 1 1 9 9 SER CB C 13 63.8150 0.4 . 1 . 61865 . A 331 SER CB . 19315 1 44 . 1 1 9 9 SER N N 15 116.1130 0.4 . 1 . 53629 . A 331 SER N . 19315 1 45 . 1 1 10 10 GLU H H 1 8.4520 0.025 . 1 . 61858 . A 332 GLU H . 19315 1 46 . 1 1 10 10 GLU HA H 1 4.3480 0.025 . 1 . . . A 332 GLU HA . 19315 1 47 . 1 1 10 10 GLU HB2 H 1 2.0280 0.025 . 2 . . . A 332 GLU HB2 . 19315 1 48 . 1 1 10 10 GLU HB3 H 1 2.1360 0.025 . 2 . . . A 332 GLU HB3 . 19315 1 49 . 1 1 10 10 GLU HG2 H 1 2.2940 0.025 . 2 . . . A 332 GLU HG2 . 19315 1 50 . 1 1 10 10 GLU CA C 13 57.1030 0.4 . 1 . 61871 . A 332 GLU CA . 19315 1 51 . 1 1 10 10 GLU CB C 13 30.0200 0.4 . 1 . 59081 . A 332 GLU CB . 19315 1 52 . 1 1 10 10 GLU CG C 13 36.2400 0.4 . 1 . . . A 332 GLU CG . 19315 1 53 . 1 1 10 10 GLU N N 15 122.4790 0.4 . 1 . 61860 . A 332 GLU N . 19315 1 54 . 1 1 11 11 THR H H 1 8.1070 0.025 . 1 . 59077 . A 333 THR H . 19315 1 55 . 1 1 11 11 THR HA H 1 4.2800 0.025 . 1 . . . A 333 THR HA . 19315 1 56 . 1 1 11 11 THR HB H 1 4.2500 0.025 . 1 . . . A 333 THR HB . 19315 1 57 . 1 1 11 11 THR HG21 H 1 1.2040 0.025 . 1 . . . A 333 THR HG21 . 19315 1 58 . 1 1 11 11 THR HG22 H 1 1.2040 0.025 . 1 . . . A 333 THR HG22 . 19315 1 59 . 1 1 11 11 THR HG23 H 1 1.2040 0.025 . 1 . . . A 333 THR HG23 . 19315 1 60 . 1 1 11 11 THR CA C 13 62.5850 0.4 . 1 . 59087 . A 333 THR CA . 19315 1 61 . 1 1 11 11 THR CB C 13 69.7140 0.4 . 1 . 59090 . A 333 THR CB . 19315 1 62 . 1 1 11 11 THR CG2 C 13 21.6800 0.4 . 1 . . . A 333 THR CG2 . 19315 1 63 . 1 1 11 11 THR N N 15 114.0750 0.4 . 1 . 59079 . A 333 THR N . 19315 1 64 . 1 1 12 12 SER H H 1 8.2810 0.025 . 1 . 53591 . A 334 SER H . 19315 1 65 . 1 1 12 12 SER HA H 1 4.3910 0.025 . 1 . . . A 334 SER HA . 19315 1 66 . 1 1 12 12 SER HB2 H 1 3.8330 0.025 . 2 . . . A 334 SER HB2 . 19315 1 67 . 1 1 12 12 SER HB3 H 1 3.8150 0.025 . 2 . . . A 334 SER HB3 . 19315 1 68 . 1 1 12 12 SER CA C 13 59.1270 0.4 . 1 . 62155 . A 334 SER CA . 19315 1 69 . 1 1 12 12 SER CB C 13 63.5020 0.4 . 1 . 61488 . A 334 SER CB . 19315 1 70 . 1 1 12 12 SER N N 15 117.7200 0.4 . 1 . 53593 . A 334 SER N . 19315 1 71 . 1 1 13 13 ASN H H 1 8.3640 0.025 . 1 . 63411 . A 335 ASN H . 19315 1 72 . 1 1 13 13 ASN HA H 1 4.6850 0.025 . 1 . . . A 335 ASN HA . 19315 1 73 . 1 1 13 13 ASN HB2 H 1 2.7690 0.025 . 2 . . . A 335 ASN HB2 . 19315 1 74 . 1 1 13 13 ASN HD21 H 1 7.5620 0.025 . 2 . . . A 335 ASN HD21 . 19315 1 75 . 1 1 13 13 ASN HD22 H 1 6.8920 0.025 . 2 . . . A 335 ASN HD22 . 19315 1 76 . 1 1 13 13 ASN CA C 13 53.7250 0.4 . 1 . 63415 . A 335 ASN CA . 19315 1 77 . 1 1 13 13 ASN CB C 13 38.8650 0.4 . 1 . 63412 . A 335 ASN CB . 19315 1 78 . 1 1 13 13 ASN N N 15 120.8490 0.4 . 1 . 63413 . A 335 ASN N . 19315 1 79 . 1 1 13 13 ASN ND2 N 15 112.4500 0.4 . 1 . . . A 335 ASN ND2 . 19315 1 80 . 1 1 14 14 TRP H H 1 8.0710 0.025 . 1 . 55561 . A 336 TRP H . 19315 1 81 . 1 1 14 14 TRP HA H 1 4.6000 0.025 . 1 . . . A 336 TRP HA . 19315 1 82 . 1 1 14 14 TRP HB2 H 1 3.3120 0.025 . 2 . . . A 336 TRP HB2 . 19315 1 83 . 1 1 14 14 TRP HD1 H 1 7.2500 0.025 . 1 . . . A 336 TRP HD1 . 19315 1 84 . 1 1 14 14 TRP HE1 H 1 10.1740 0.025 . 1 . . . A 336 TRP HE1 . 19315 1 85 . 1 1 14 14 TRP HE3 H 1 7.6240 0.025 . 1 . . . A 336 TRP HE3 . 19315 1 86 . 1 1 14 14 TRP HZ2 H 1 7.4800 0.025 . 1 . . . A 336 TRP HZ2 . 19315 1 87 . 1 1 14 14 TRP HZ3 H 1 7.1090 0.025 . 1 . . . A 336 TRP HZ3 . 19315 1 88 . 1 1 14 14 TRP HH2 H 1 7.2200 0.025 . 1 . . . A 336 TRP HH2 . 19315 1 89 . 1 1 14 14 TRP CA C 13 58.2500 0.4 . 1 . 52962 . A 336 TRP CA . 19315 1 90 . 1 1 14 14 TRP CB C 13 29.4420 0.4 . 1 . 52959 . A 336 TRP CB . 19315 1 91 . 1 1 14 14 TRP CD1 C 13 127.0300 0.4 . 1 . . . A 336 TRP CD1 . 19315 1 92 . 1 1 14 14 TRP CE3 C 13 120.9200 0.4 . 1 . . . A 336 TRP CE3 . 19315 1 93 . 1 1 14 14 TRP CZ2 C 13 114.7700 0.4 . 1 . . . A 336 TRP CZ2 . 19315 1 94 . 1 1 14 14 TRP CZ3 C 13 122.0200 0.4 . 1 . . . A 336 TRP CZ3 . 19315 1 95 . 1 1 14 14 TRP CH2 C 13 124.7400 0.4 . 1 . . . A 336 TRP CH2 . 19315 1 96 . 1 1 14 14 TRP N N 15 121.7160 0.4 . 1 . 55563 . A 336 TRP N . 19315 1 97 . 1 1 14 14 TRP NE1 N 15 129.8760 0.4 . 1 . . . A 336 TRP NE1 . 19315 1 98 . 1 1 15 15 ILE H H 1 7.9200 0.025 . 1 . 53870 . A 337 ILE H . 19315 1 99 . 1 1 15 15 ILE HA H 1 3.9660 0.025 . 1 . . . A 337 ILE HA . 19315 1 100 . 1 1 15 15 ILE HB H 1 1.7630 0.025 . 1 . . . A 337 ILE HB . 19315 1 101 . 1 1 15 15 ILE HG12 H 1 1.4220 0.025 . 2 . . . A 337 ILE HG12 . 19315 1 102 . 1 1 15 15 ILE HG13 H 1 1.0770 0.025 . 2 . . . A 337 ILE HG13 . 19315 1 103 . 1 1 15 15 ILE HG21 H 1 0.8530 0.025 . 1 . . . A 337 ILE HG21 . 19315 1 104 . 1 1 15 15 ILE HG22 H 1 0.8530 0.025 . 1 . . . A 337 ILE HG22 . 19315 1 105 . 1 1 15 15 ILE HG23 H 1 0.8530 0.025 . 1 . . . A 337 ILE HG23 . 19315 1 106 . 1 1 15 15 ILE HD11 H 1 0.8480 0.025 . 1 . . . A 337 ILE HD11 . 19315 1 107 . 1 1 15 15 ILE HD12 H 1 0.8480 0.025 . 1 . . . A 337 ILE HD12 . 19315 1 108 . 1 1 15 15 ILE HD13 H 1 0.8480 0.025 . 1 . . . A 337 ILE HD13 . 19315 1 109 . 1 1 15 15 ILE CA C 13 61.6740 0.4 . 1 . 52965 . A 337 ILE CA . 19315 1 110 . 1 1 15 15 ILE CB C 13 38.8050 0.4 . 1 . 52749 . A 337 ILE CB . 19315 1 111 . 1 1 15 15 ILE CG1 C 13 27.6700 0.4 . 1 . . . A 337 ILE CG1 . 19315 1 112 . 1 1 15 15 ILE CG2 C 13 17.2900 0.4 . 1 . . . A 337 ILE CG2 . 19315 1 113 . 1 1 15 15 ILE CD1 C 13 12.9600 0.4 . 1 . . . A 337 ILE CD1 . 19315 1 114 . 1 1 15 15 ILE N N 15 122.8870 0.4 . 1 . 53871 . A 337 ILE N . 19315 1 115 . 1 1 16 16 ALA H H 1 8.0990 0.025 . 1 . 53360 . A 338 ALA H . 19315 1 116 . 1 1 16 16 ALA HA H 1 4.1840 0.025 . 1 . . . A 338 ALA HA . 19315 1 117 . 1 1 16 16 ALA HB1 H 1 1.4350 0.025 . 1 . . . A 338 ALA HB1 . 19315 1 118 . 1 1 16 16 ALA HB2 H 1 1.4350 0.025 . 1 . . . A 338 ALA HB2 . 19315 1 119 . 1 1 16 16 ALA HB3 H 1 1.4350 0.025 . 1 . . . A 338 ALA HB3 . 19315 1 120 . 1 1 16 16 ALA CA C 13 53.0570 0.4 . 1 . 52752 . A 338 ALA CA . 19315 1 121 . 1 1 16 16 ALA CB C 13 19.0870 0.4 . 1 . 52746 . A 338 ALA CB . 19315 1 122 . 1 1 16 16 ALA N N 15 126.9130 0.4 . 1 . 53362 . A 338 ALA N . 19315 1 123 . 1 1 17 17 ALA H H 1 8.1190 0.025 . 1 . 61191 . A 339 ALA H . 19315 1 124 . 1 1 17 17 ALA HA H 1 4.3640 0.025 . 1 . . . A 339 ALA HA . 19315 1 125 . 1 1 17 17 ALA HB1 H 1 1.4520 0.025 . 1 . . . A 339 ALA HB1 . 19315 1 126 . 1 1 17 17 ALA HB2 H 1 1.4520 0.025 . 1 . . . A 339 ALA HB2 . 19315 1 127 . 1 1 17 17 ALA HB3 H 1 1.4520 0.025 . 1 . . . A 339 ALA HB3 . 19315 1 128 . 1 1 17 17 ALA CA C 13 52.8920 0.4 . 1 . 61201 . A 339 ALA CA . 19315 1 129 . 1 1 17 17 ALA CB C 13 19.4230 0.4 . 1 . 61198 . A 339 ALA CB . 19315 1 130 . 1 1 17 17 ALA N N 15 122.0810 0.4 . 1 . 61193 . A 339 ALA N . 19315 1 131 . 1 1 18 18 ASN H H 1 8.4250 0.025 . 1 . 60074 . A 340 ASN H . 19315 1 132 . 1 1 18 18 ASN HA H 1 5.0080 0.025 . 1 . . . A 340 ASN HA . 19315 1 133 . 1 1 18 18 ASN HB2 H 1 2.9630 0.025 . 2 . . . A 340 ASN HB2 . 19315 1 134 . 1 1 18 18 ASN HB3 H 1 2.6900 0.025 . 2 . . . A 340 ASN HB3 . 19315 1 135 . 1 1 18 18 ASN HD21 H 1 7.4970 0.025 . 2 . . . A 340 ASN HD21 . 19315 1 136 . 1 1 18 18 ASN HD22 H 1 6.8650 0.025 . 2 . . . A 340 ASN HD22 . 19315 1 137 . 1 1 18 18 ASN CA C 13 53.4230 0.4 . 1 . 59688 . A 340 ASN CA . 19315 1 138 . 1 1 18 18 ASN CB C 13 39.2990 0.4 . 1 . 60260 . A 340 ASN CB . 19315 1 139 . 1 1 18 18 ASN N N 15 117.3970 0.4 . 1 . 60075 . A 340 ASN N . 19315 1 140 . 1 1 18 18 ASN ND2 N 15 112.9020 0.4 . 1 . . . A 340 ASN ND2 . 19315 1 141 . 1 1 19 19 THR H H 1 7.8000 0.025 . 1 . 59678 . A 341 THR H . 19315 1 142 . 1 1 19 19 THR HA H 1 5.3870 0.025 . 1 . . . A 341 THR HA . 19315 1 143 . 1 1 19 19 THR HB H 1 4.1590 0.025 . 1 . . . A 341 THR HB . 19315 1 144 . 1 1 19 19 THR HG21 H 1 1.2040 0.025 . 1 . . . A 341 THR HG21 . 19315 1 145 . 1 1 19 19 THR HG22 H 1 1.2040 0.025 . 1 . . . A 341 THR HG22 . 19315 1 146 . 1 1 19 19 THR HG23 H 1 1.2040 0.025 . 1 . . . A 341 THR HG23 . 19315 1 147 . 1 1 19 19 THR CA C 13 61.3100 0.4 . 1 . 53442 . A 341 THR CA . 19315 1 148 . 1 1 19 19 THR CB C 13 71.8250 0.4 . 1 . 59694 . A 341 THR CB . 19315 1 149 . 1 1 19 19 THR CG2 C 13 21.9000 0.4 . 1 . . . A 341 THR CG2 . 19315 1 150 . 1 1 19 19 THR N N 15 111.7610 0.4 . 1 . 59680 . A 341 THR N . 19315 1 151 . 1 1 20 20 LYS H H 1 8.7640 0.025 . 1 . 53852 . A 342 LYS H . 19315 1 152 . 1 1 20 20 LYS HA H 1 4.5420 0.025 . 1 . . . A 342 LYS HA . 19315 1 153 . 1 1 20 20 LYS HB2 H 1 1.6250 0.025 . 2 . . . A 342 LYS HB2 . 19315 1 154 . 1 1 20 20 LYS HB3 H 1 1.1170 0.025 . 2 . . . A 342 LYS HB3 . 19315 1 155 . 1 1 20 20 LYS HG2 H 1 0.7500 0.025 . 2 . . . A 342 LYS HG2 . 19315 1 156 . 1 1 20 20 LYS HG3 H 1 1.0000 0.025 . 2 . . . A 342 LYS HG3 . 19315 1 157 . 1 1 20 20 LYS HD2 H 1 0.1820 0.025 . 2 . . . A 342 LYS HD2 . 19315 1 158 . 1 1 20 20 LYS HD3 H 1 1.0590 0.025 . 2 . . . A 342 LYS HD3 . 19315 1 159 . 1 1 20 20 LYS HE2 H 1 2.3400 0.025 . 2 . . . A 342 LYS HE2 . 19315 1 160 . 1 1 20 20 LYS HE3 H 1 1.8700 0.025 . 2 . . . A 342 LYS HE3 . 19315 1 161 . 1 1 20 20 LYS CA C 13 55.5510 0.4 . 1 . 53157 . A 342 LYS CA . 19315 1 162 . 1 1 20 20 LYS CB C 13 37.0980 0.4 . 1 . 53148 . A 342 LYS CB . 19315 1 163 . 1 1 20 20 LYS CG C 13 26.7700 0.4 . 1 . . . A 342 LYS CG . 19315 1 164 . 1 1 20 20 LYS CD C 13 29.7300 0.4 . 1 . . . A 342 LYS CD . 19315 1 165 . 1 1 20 20 LYS CE C 13 42.1400 0.4 . 1 . . . A 342 LYS CE . 19315 1 166 . 1 1 20 20 LYS N N 15 122.4310 0.4 . 1 . 53853 . A 342 LYS N . 19315 1 167 . 1 1 21 21 GLU H H 1 7.8400 0.025 . 1 . 53603 . A 343 GLU H . 19315 1 168 . 1 1 21 21 GLU HA H 1 4.6260 0.025 . 1 . . . A 343 GLU HA . 19315 1 169 . 1 1 21 21 GLU HB2 H 1 1.6740 0.025 . 2 . . . A 343 GLU HB2 . 19315 1 170 . 1 1 21 21 GLU HB3 H 1 1.5490 0.025 . 2 . . . A 343 GLU HB3 . 19315 1 171 . 1 1 21 21 GLU HG2 H 1 2.1150 0.025 . 2 . . . A 343 GLU HG2 . 19315 1 172 . 1 1 21 21 GLU CA C 13 54.6050 0.4 . 1 . 54217 . A 343 GLU CA . 19315 1 173 . 1 1 21 21 GLU CB C 13 32.0340 0.4 . 1 . 60268 . A 343 GLU CB . 19315 1 174 . 1 1 21 21 GLU CG C 13 36.3100 0.4 . 1 . . . A 343 GLU CG . 19315 1 175 . 1 1 21 21 GLU N N 15 118.4500 0.4 . 1 . 53605 . A 343 GLU N . 19315 1 176 . 1 1 22 22 CYS H H 1 8.4420 0.025 . 1 . 54210 . A 344 CYS H . 19315 1 177 . 1 1 22 22 CYS HA H 1 3.8610 0.025 . 1 . . . A 344 CYS HA . 19315 1 178 . 1 1 22 22 CYS HB2 H 1 3.0300 0.025 . 2 . . . A 344 CYS HB2 . 19315 1 179 . 1 1 22 22 CYS HB3 H 1 3.1000 0.025 . 2 . . . A 344 CYS HB3 . 19315 1 180 . 1 1 22 22 CYS CA C 13 56.2150 0.4 . 1 . 54220 . A 344 CYS CA . 19315 1 181 . 1 1 22 22 CYS CB C 13 31.0720 0.4 . 1 . 54223 . A 344 CYS CB . 19315 1 182 . 1 1 22 22 CYS N N 15 124.8140 0.4 . 1 . 54212 . A 344 CYS N . 19315 1 183 . 1 1 23 23 PRO HA H 1 4.1330 0.025 . 1 . . . A 345 PRO HA . 19315 1 184 . 1 1 23 23 PRO HB2 H 1 2.0970 0.025 . 2 . . . A 345 PRO HB2 . 19315 1 185 . 1 1 23 23 PRO HB3 H 1 1.8660 0.025 . 2 . . . A 345 PRO HB3 . 19315 1 186 . 1 1 23 23 PRO HG2 H 1 1.6640 0.025 . 2 . . . A 345 PRO HG2 . 19315 1 187 . 1 1 23 23 PRO HG3 H 1 1.3930 0.025 . 2 . . . A 345 PRO HG3 . 19315 1 188 . 1 1 23 23 PRO HD2 H 1 2.6830 0.025 . 2 . . . A 345 PRO HD2 . 19315 1 189 . 1 1 23 23 PRO HD3 H 1 2.4070 0.025 . 2 . . . A 345 PRO HD3 . 19315 1 190 . 1 1 23 23 PRO CA C 13 63.4820 0.4 . 1 . 53478 . A 345 PRO CA . 19315 1 191 . 1 1 23 23 PRO CB C 13 32.3650 0.4 . 1 . 53544 . A 345 PRO CB . 19315 1 192 . 1 1 23 23 PRO CG C 13 26.6300 0.4 . 1 . . . A 345 PRO CG . 19315 1 193 . 1 1 23 23 PRO CD C 13 49.0900 0.4 . 1 . . . A 345 PRO CD . 19315 1 194 . 1 1 24 24 LYS H H 1 9.0970 0.025 . 1 . 53543 . A 346 LYS H . 19315 1 195 . 1 1 24 24 LYS HA H 1 4.3390 0.025 . 1 . . . A 346 LYS HA . 19315 1 196 . 1 1 24 24 LYS HB2 H 1 1.7700 0.025 . 2 . . . A 346 LYS HB2 . 19315 1 197 . 1 1 24 24 LYS HB3 H 1 1.6825 0.025 . 2 . . . A 346 LYS HB3 . 19315 1 198 . 1 1 24 24 LYS HG2 H 1 1.3850 0.025 . 2 . . . A 346 LYS HG2 . 19315 1 199 . 1 1 24 24 LYS HG3 H 1 1.2000 0.025 . 2 . . . A 346 LYS HG3 . 19315 1 200 . 1 1 24 24 LYS HD2 H 1 1.5790 0.025 . 2 . . . A 346 LYS HD2 . 19315 1 201 . 1 1 24 24 LYS HD3 H 1 1.6790 0.025 . 2 . . . A 346 LYS HD3 . 19315 1 202 . 1 1 24 24 LYS HE2 H 1 2.9600 0.025 . 2 . . . A 346 LYS HE2 . 19315 1 203 . 1 1 24 24 LYS CA C 13 56.9900 0.4 . 1 . 52800 . A 346 LYS CA . 19315 1 204 . 1 1 24 24 LYS CB C 13 33.2470 0.4 . 1 . 53040 . A 346 LYS CB . 19315 1 205 . 1 1 24 24 LYS CG C 13 24.8200 0.4 . 1 . . . A 346 LYS CG . 19315 1 206 . 1 1 24 24 LYS CD C 13 28.2300 0.4 . 1 . . . A 346 LYS CD . 19315 1 207 . 1 1 24 24 LYS CE C 13 41.9600 0.4 . 1 . . . A 346 LYS CE . 19315 1 208 . 1 1 24 24 LYS N N 15 121.8020 0.4 . 1 . 53545 . A 346 LYS N . 19315 1 209 . 1 1 25 25 CYS H H 1 8.5790 0.025 . 1 . 53564 . A 347 CYS H . 19315 1 210 . 1 1 25 25 CYS HA H 1 4.8430 0.025 . 1 . . . A 347 CYS HA . 19315 1 211 . 1 1 25 25 CYS HB2 H 1 3.0630 0.025 . 2 . . . A 347 CYS HB2 . 19315 1 212 . 1 1 25 25 CYS HB3 H 1 2.7000 0.025 . 2 . . . A 347 CYS HB3 . 19315 1 213 . 1 1 25 25 CYS CA C 13 59.1860 0.4 . 1 . 53034 . A 347 CYS CA . 19315 1 214 . 1 1 25 25 CYS CB C 13 31.5330 0.4 . 1 . 53043 . A 347 CYS CB . 19315 1 215 . 1 1 25 25 CYS N N 15 119.8020 0.4 . 1 . 53566 . A 347 CYS N . 19315 1 216 . 1 1 26 26 HIS H H 1 7.6770 0.025 . 1 . 58578 . A 348 HIS H . 19315 1 217 . 1 1 26 26 HIS HA H 1 4.4550 0.025 . 1 . . . A 348 HIS HA . 19315 1 218 . 1 1 26 26 HIS HB2 H 1 3.4480 0.025 . 2 . . . A 348 HIS HB2 . 19315 1 219 . 1 1 26 26 HIS HD2 H 1 7.0200 0.025 . 1 . . . A 348 HIS HD2 . 19315 1 220 . 1 1 26 26 HIS HE1 H 1 8.4000 0.025 . 1 . . . A 348 HIS HE1 . 19315 1 221 . 1 1 26 26 HIS CA C 13 57.5800 0.4 . 1 . 58594 . A 348 HIS CA . 19315 1 222 . 1 1 26 26 HIS CB C 13 25.8610 0.4 . 1 . 53556 . A 348 HIS CB . 19315 1 223 . 1 1 26 26 HIS CD2 C 13 119.5700 0.4 . 1 . . . A 348 HIS CD2 . 19315 1 224 . 1 1 26 26 HIS CE1 C 13 135.7500 0.4 . 1 . . . A 348 HIS CE1 . 19315 1 225 . 1 1 26 26 HIS N N 15 116.2720 0.4 . 1 . 58580 . A 348 HIS N . 19315 1 226 . 1 1 26 26 HIS ND1 N 15 180.4650 0.4 . 1 . . . A 348 HIS ND1 . 19315 1 227 . 1 1 26 26 HIS NE2 N 15 217.2870 0.4 . 1 . . . A 348 HIS NE2 . 19315 1 228 . 1 1 27 27 VAL H H 1 8.4190 0.025 . 1 . 53860 . A 349 VAL H . 19315 1 229 . 1 1 27 27 VAL HA H 1 4.2620 0.025 . 1 . . . A 349 VAL HA . 19315 1 230 . 1 1 27 27 VAL HB H 1 2.2730 0.025 . 1 . . . A 349 VAL HB . 19315 1 231 . 1 1 27 27 VAL HG11 H 1 1.1300 0.025 . 2 . . . A 349 VAL HG11 . 19315 1 232 . 1 1 27 27 VAL HG12 H 1 1.1300 0.025 . 2 . . . A 349 VAL HG12 . 19315 1 233 . 1 1 27 27 VAL HG13 H 1 1.1300 0.025 . 2 . . . A 349 VAL HG13 . 19315 1 234 . 1 1 27 27 VAL HG21 H 1 1.1240 0.025 . 2 . . . A 349 VAL HG21 . 19315 1 235 . 1 1 27 27 VAL HG22 H 1 1.1240 0.025 . 2 . . . A 349 VAL HG22 . 19315 1 236 . 1 1 27 27 VAL HG23 H 1 1.1240 0.025 . 2 . . . A 349 VAL HG23 . 19315 1 237 . 1 1 27 27 VAL CA C 13 63.7200 0.4 . 1 . 52902 . A 349 VAL CA . 19315 1 238 . 1 1 27 27 VAL CB C 13 32.0610 0.4 . 1 . 52905 . A 349 VAL CB . 19315 1 239 . 1 1 27 27 VAL CG1 C 13 21.6800 0.4 . 2 . . . A 349 VAL CG1 . 19315 1 240 . 1 1 27 27 VAL CG2 C 13 23.2300 0.4 . 2 . . . A 349 VAL CG2 . 19315 1 241 . 1 1 27 27 VAL N N 15 121.8070 0.4 . 1 . 53861 . A 349 VAL N . 19315 1 242 . 1 1 28 28 THR H H 1 8.3510 0.025 . 1 . 62504 . A 350 THR H . 19315 1 243 . 1 1 28 28 THR HA H 1 4.4980 0.025 . 1 . . . A 350 THR HA . 19315 1 244 . 1 1 28 28 THR HB H 1 4.0970 0.025 . 1 . . . A 350 THR HB . 19315 1 245 . 1 1 28 28 THR HG21 H 1 1.3020 0.025 . 1 . . . A 350 THR HG21 . 19315 1 246 . 1 1 28 28 THR HG22 H 1 1.3020 0.025 . 1 . . . A 350 THR HG22 . 19315 1 247 . 1 1 28 28 THR HG23 H 1 1.3020 0.025 . 1 . . . A 350 THR HG23 . 19315 1 248 . 1 1 28 28 THR CA C 13 64.1840 0.4 . 1 . 62511 . A 350 THR CA . 19315 1 249 . 1 1 28 28 THR CB C 13 69.9140 0.4 . 1 . 53391 . A 350 THR CB . 19315 1 250 . 1 1 28 28 THR CG2 C 13 22.4800 0.4 . 1 . . . A 350 THR CG2 . 19315 1 251 . 1 1 28 28 THR N N 15 121.0100 0.4 . 1 . 62506 . A 350 THR N . 19315 1 252 . 1 1 29 29 ILE H H 1 9.1220 0.025 . 1 . 53390 . A 351 ILE H . 19315 1 253 . 1 1 29 29 ILE HA H 1 4.6400 0.025 . 1 . . . A 351 ILE HA . 19315 1 254 . 1 1 29 29 ILE HB H 1 2.1210 0.025 . 1 . . . A 351 ILE HB . 19315 1 255 . 1 1 29 29 ILE HG12 H 1 1.7130 0.025 . 2 . . . A 351 ILE HG12 . 19315 1 256 . 1 1 29 29 ILE HG13 H 1 1.3560 0.025 . 2 . . . A 351 ILE HG13 . 19315 1 257 . 1 1 29 29 ILE HG21 H 1 1.0910 0.025 . 1 . . . A 351 ILE HG21 . 19315 1 258 . 1 1 29 29 ILE HG22 H 1 1.0910 0.025 . 1 . . . A 351 ILE HG22 . 19315 1 259 . 1 1 29 29 ILE HG23 H 1 1.0910 0.025 . 1 . . . A 351 ILE HG23 . 19315 1 260 . 1 1 29 29 ILE HD11 H 1 1.1400 0.025 . 1 . . . A 351 ILE HD11 . 19315 1 261 . 1 1 29 29 ILE HD12 H 1 1.1400 0.025 . 1 . . . A 351 ILE HD12 . 19315 1 262 . 1 1 29 29 ILE HD13 H 1 1.1400 0.025 . 1 . . . A 351 ILE HD13 . 19315 1 263 . 1 1 29 29 ILE CA C 13 59.7640 0.4 . 1 . 53400 . A 351 ILE CA . 19315 1 264 . 1 1 29 29 ILE CB C 13 41.5280 0.4 . 1 . 52710 . A 351 ILE CB . 19315 1 265 . 1 1 29 29 ILE CG1 C 13 28.5800 0.4 . 1 . . . A 351 ILE CG1 . 19315 1 266 . 1 1 29 29 ILE CG2 C 13 17.0200 0.4 . 1 . . . A 351 ILE CG2 . 19315 1 267 . 1 1 29 29 ILE CD1 C 13 15.0100 0.4 . 1 . . . A 351 ILE CD1 . 19315 1 268 . 1 1 29 29 ILE N N 15 125.1340 0.4 . 1 . 53392 . A 351 ILE N . 19315 1 269 . 1 1 30 30 GLU H H 1 8.1820 0.025 . 1 . 53862 . A 352 GLU H . 19315 1 270 . 1 1 30 30 GLU HA H 1 5.0180 0.025 . 1 . . . A 352 GLU HA . 19315 1 271 . 1 1 30 30 GLU HB2 H 1 1.9610 0.025 . 2 . . . A 352 GLU HB2 . 19315 1 272 . 1 1 30 30 GLU HB3 H 1 1.8650 0.025 . 2 . . . A 352 GLU HB3 . 19315 1 273 . 1 1 30 30 GLU HG2 H 1 2.2310 0.025 . 2 . . . A 352 GLU HG2 . 19315 1 274 . 1 1 30 30 GLU CA C 13 54.4440 0.4 . 1 . 62822 . A 352 GLU CA . 19315 1 275 . 1 1 30 30 GLU CB C 13 32.0400 0.4 . 1 . 52920 . A 352 GLU CB . 19315 1 276 . 1 1 30 30 GLU CG C 13 36.4200 0.4 . 1 . . . A 352 GLU CG . 19315 1 277 . 1 1 30 30 GLU N N 15 124.8560 0.4 . 1 . 53863 . A 352 GLU N . 19315 1 278 . 1 1 31 31 LYS H H 1 7.9790 0.025 . 1 . 62818 . A 353 LYS H . 19315 1 279 . 1 1 31 31 LYS HA H 1 3.6030 0.025 . 1 . . . A 353 LYS HA . 19315 1 280 . 1 1 31 31 LYS HB2 H 1 0.0710 0.025 . 2 . . . A 353 LYS HB2 . 19315 1 281 . 1 1 31 31 LYS HB3 H 1 1.0300 0.025 . 2 . . . A 353 LYS HB3 . 19315 1 282 . 1 1 31 31 LYS HG2 H 1 0.5310 0.025 . 2 . . . A 353 LYS HG2 . 19315 1 283 . 1 1 31 31 LYS HG3 H 1 0.7680 0.025 . 2 . . . A 353 LYS HG3 . 19315 1 284 . 1 1 31 31 LYS HD2 H 1 0.3210 0.025 . 2 . . . A 353 LYS HD2 . 19315 1 285 . 1 1 31 31 LYS HD3 H 1 0.4920 0.025 . 2 . . . A 353 LYS HD3 . 19315 1 286 . 1 1 31 31 LYS HE2 H 1 2.4300 0.025 . 2 . . . A 353 LYS HE2 . 19315 1 287 . 1 1 31 31 LYS HE3 H 1 2.3460 0.025 . 2 . . . A 353 LYS HE3 . 19315 1 288 . 1 1 31 31 LYS CA C 13 56.5580 0.4 . 1 . 62831 . A 353 LYS CA . 19315 1 289 . 1 1 31 31 LYS CB C 13 32.8620 0.4 . 1 . 52722 . A 353 LYS CB . 19315 1 290 . 1 1 31 31 LYS CG C 13 24.5100 0.4 . 1 . . . A 353 LYS CG . 19315 1 291 . 1 1 31 31 LYS CD C 13 28.5900 0.4 . 1 . . . A 353 LYS CD . 19315 1 292 . 1 1 31 31 LYS CE C 13 42.3700 0.4 . 1 . . . A 353 LYS CE . 19315 1 293 . 1 1 31 31 LYS N N 15 125.1460 0.4 . 1 . 62820 . A 353 LYS N . 19315 1 294 . 1 1 32 32 ASP H H 1 8.2780 0.025 . 1 . 53822 . A 354 ASP H . 19315 1 295 . 1 1 32 32 ASP HA H 1 4.6570 0.025 . 1 . . . A 354 ASP HA . 19315 1 296 . 1 1 32 32 ASP HB2 H 1 2.6200 0.025 . 2 . . . A 354 ASP HB2 . 19315 1 297 . 1 1 32 32 ASP HB3 H 1 2.5330 0.025 . 2 . . . A 354 ASP HB3 . 19315 1 298 . 1 1 32 32 ASP CA C 13 53.2400 0.4 . 1 . 52716 . A 354 ASP CA . 19315 1 299 . 1 1 32 32 ASP CB C 13 41.4390 0.4 . 1 . 52719 . A 354 ASP CB . 19315 1 300 . 1 1 32 32 ASP N N 15 126.8810 0.4 . 1 . 53823 . A 354 ASP N . 19315 1 301 . 1 1 33 33 GLY H H 1 8.0470 0.025 . 1 . 59742 . A 355 GLY H . 19315 1 302 . 1 1 33 33 GLY HA2 H 1 3.9170 0.025 . 2 . . . A 355 GLY HA2 . 19315 1 303 . 1 1 33 33 GLY HA3 H 1 3.8870 0.025 . 2 . . . A 355 GLY HA3 . 19315 1 304 . 1 1 33 33 GLY CA C 13 45.2110 0.4 . 1 . 59752 . A 355 GLY CA . 19315 1 305 . 1 1 33 33 GLY N N 15 109.7050 0.4 . 1 . 59744 . A 355 GLY N . 19315 1 306 . 1 1 34 34 GLY H H 1 8.3820 0.025 . 1 . 53741 . A 356 GLY H . 19315 1 307 . 1 1 34 34 GLY HA2 H 1 3.9240 0.025 . 2 . . . A 356 GLY HA2 . 19315 1 308 . 1 1 34 34 GLY HA3 H 1 3.7940 0.025 . 2 . . . A 356 GLY HA3 . 19315 1 309 . 1 1 34 34 GLY CA C 13 45.5610 0.4 . 1 . 53220 . A 356 GLY CA . 19315 1 310 . 1 1 34 34 GLY N N 15 107.3600 0.4 . 1 . 53743 . A 356 GLY N . 19315 1 311 . 1 1 35 35 SER H H 1 7.8480 0.025 . 1 . 53932 . A 357 SER H . 19315 1 312 . 1 1 35 35 SER HA H 1 4.4200 0.025 . 1 . . . A 357 SER HA . 19315 1 313 . 1 1 35 35 SER HB2 H 1 3.6150 0.025 . 2 . . . A 357 SER HB2 . 19315 1 314 . 1 1 35 35 SER HB3 H 1 3.9240 0.025 . 2 . . . A 357 SER HB3 . 19315 1 315 . 1 1 35 35 SER CA C 13 57.4400 0.4 . 1 . 53031 . A 357 SER CA . 19315 1 316 . 1 1 35 35 SER CB C 13 64.2500 0.4 . 1 . 53214 . A 357 SER CB . 19315 1 317 . 1 1 35 35 SER N N 15 114.4050 0.4 . 1 . 53933 . A 357 SER N . 19315 1 318 . 1 1 36 36 ASN H H 1 8.8760 0.025 . 1 . 53561 . A 358 ASN H . 19315 1 319 . 1 1 36 36 ASN HA H 1 4.7910 0.025 . 1 . . . A 358 ASN HA . 19315 1 320 . 1 1 36 36 ASN HB2 H 1 3.1200 0.025 . 2 . . . A 358 ASN HB2 . 19315 1 321 . 1 1 36 36 ASN HB3 H 1 3.5870 0.025 . 2 . . . A 358 ASN HB3 . 19315 1 322 . 1 1 36 36 ASN HD21 H 1 7.8270 0.025 . 2 . . . A 358 ASN HD21 . 19315 1 323 . 1 1 36 36 ASN HD22 H 1 7.0410 0.025 . 2 . . . A 358 ASN HD22 . 19315 1 324 . 1 1 36 36 ASN CA C 13 54.2700 0.4 . 1 . 53055 . A 358 ASN CA . 19315 1 325 . 1 1 36 36 ASN CB C 13 39.4870 0.4 . 1 . 53049 . A 358 ASN CB . 19315 1 326 . 1 1 36 36 ASN N N 15 119.7790 0.4 . 1 . 53563 . A 358 ASN N . 19315 1 327 . 1 1 36 36 ASN ND2 N 15 112.6600 0.4 . 1 . . . A 358 ASN ND2 . 19315 1 328 . 1 1 37 37 HIS H H 1 7.9850 0.025 . 1 . 53573 . A 359 HIS H . 19315 1 329 . 1 1 37 37 HIS HA H 1 3.3450 0.025 . 1 . . . A 359 HIS HA . 19315 1 330 . 1 1 37 37 HIS HB2 H 1 2.4740 0.025 . 2 . . . A 359 HIS HB2 . 19315 1 331 . 1 1 37 37 HIS HB3 H 1 1.0550 0.025 . 2 . . . A 359 HIS HB3 . 19315 1 332 . 1 1 37 37 HIS HD2 H 1 5.8600 0.025 . 1 . . . A 359 HIS HD2 . 19315 1 333 . 1 1 37 37 HIS HE1 H 1 8.1500 0.025 . 1 . . . A 359 HIS HE1 . 19315 1 334 . 1 1 37 37 HIS CA C 13 53.9460 0.4 . 1 . 53352 . A 359 HIS CA . 19315 1 335 . 1 1 37 37 HIS CB C 13 26.9600 0.4 . 1 . 53046 . A 359 HIS CB . 19315 1 336 . 1 1 37 37 HIS CD2 C 13 114.9000 0.4 . 1 . . . A 359 HIS CD2 . 19315 1 337 . 1 1 37 37 HIS CE1 C 13 136.1900 0.4 . 1 . . . A 359 HIS CE1 . 19315 1 338 . 1 1 37 37 HIS N N 15 120.3360 0.4 . 1 . 53575 . A 359 HIS N . 19315 1 339 . 1 1 37 37 HIS ND1 N 15 185.2070 0.4 . 1 . . . A 359 HIS ND1 . 19315 1 340 . 1 1 37 37 HIS NE2 N 15 217.4540 0.4 . 1 . . . A 359 HIS NE2 . 19315 1 341 . 1 1 38 38 MET H H 1 8.7360 0.025 . 1 . 53357 . A 360 MET H . 19315 1 342 . 1 1 38 38 MET HA H 1 4.4860 0.025 . 1 . . . A 360 MET HA . 19315 1 343 . 1 1 38 38 MET HB2 H 1 1.0430 0.025 . 2 . . . A 360 MET HB2 . 19315 1 344 . 1 1 38 38 MET HB3 H 1 0.4200 0.025 . 2 . . . A 360 MET HB3 . 19315 1 345 . 1 1 38 38 MET HG2 H 1 2.4480 0.025 . 2 . . . A 360 MET HG2 . 19315 1 346 . 1 1 38 38 MET HG3 H 1 2.2570 0.025 . 2 . . . A 360 MET HG3 . 19315 1 347 . 1 1 38 38 MET HE1 H 1 1.8620 0.025 . 1 . . . A 360 MET HE1 . 19315 1 348 . 1 1 38 38 MET HE2 H 1 1.8620 0.025 . 1 . . . A 360 MET HE2 . 19315 1 349 . 1 1 38 38 MET HE3 H 1 1.8620 0.025 . 1 . . . A 360 MET HE3 . 19315 1 350 . 1 1 38 38 MET CA C 13 52.4480 0.4 . 1 . 53523 . A 360 MET CA . 19315 1 351 . 1 1 38 38 MET CB C 13 30.4490 0.4 . 1 . 53067 . A 360 MET CB . 19315 1 352 . 1 1 38 38 MET CG C 13 31.8500 0.4 . 1 . . . A 360 MET CG . 19315 1 353 . 1 1 38 38 MET CE C 13 16.4900 0.4 . 1 . . . A 360 MET CE . 19315 1 354 . 1 1 38 38 MET N N 15 129.0380 0.4 . 1 . 53359 . A 360 MET N . 19315 1 355 . 1 1 39 39 VAL H H 1 7.7240 0.025 . 1 . 53552 . A 361 VAL H . 19315 1 356 . 1 1 39 39 VAL HA H 1 4.4060 0.025 . 1 . . . A 361 VAL HA . 19315 1 357 . 1 1 39 39 VAL HB H 1 1.6590 0.025 . 1 . . . A 361 VAL HB . 19315 1 358 . 1 1 39 39 VAL HG11 H 1 0.7310 0.025 . 2 . . . A 361 VAL HG11 . 19315 1 359 . 1 1 39 39 VAL HG12 H 1 0.7310 0.025 . 2 . . . A 361 VAL HG12 . 19315 1 360 . 1 1 39 39 VAL HG13 H 1 0.7310 0.025 . 2 . . . A 361 VAL HG13 . 19315 1 361 . 1 1 39 39 VAL HG21 H 1 0.4570 0.025 . 2 . . . A 361 VAL HG21 . 19315 1 362 . 1 1 39 39 VAL HG22 H 1 0.4570 0.025 . 2 . . . A 361 VAL HG22 . 19315 1 363 . 1 1 39 39 VAL HG23 H 1 0.4570 0.025 . 2 . . . A 361 VAL HG23 . 19315 1 364 . 1 1 39 39 VAL CA C 13 60.9180 0.4 . 1 . 53058 . A 361 VAL CA . 19315 1 365 . 1 1 39 39 VAL CB C 13 33.5230 0.4 . 1 . 53346 . A 361 VAL CB . 19315 1 366 . 1 1 39 39 VAL CG1 C 13 20.4500 0.4 . 2 . . . A 361 VAL CG1 . 19315 1 367 . 1 1 39 39 VAL CG2 C 13 20.3700 0.4 . 2 . . . A 361 VAL CG2 . 19315 1 368 . 1 1 39 39 VAL N N 15 120.8030 0.4 . 1 . 53554 . A 361 VAL N . 19315 1 369 . 1 1 40 40 CYS H H 1 9.3360 0.025 . 1 . 53814 . A 362 CYS H . 19315 1 370 . 1 1 40 40 CYS HA H 1 4.0610 0.025 . 1 . . . A 362 CYS HA . 19315 1 371 . 1 1 40 40 CYS HB2 H 1 3.1040 0.025 . 2 . . . A 362 CYS HB2 . 19315 1 372 . 1 1 40 40 CYS HB3 H 1 3.4280 0.025 . 2 . . . A 362 CYS HB3 . 19315 1 373 . 1 1 40 40 CYS CA C 13 61.8700 0.4 . 1 . 52668 . A 362 CYS CA . 19315 1 374 . 1 1 40 40 CYS CB C 13 31.4570 0.4 . 1 . 53436 . A 362 CYS CB . 19315 1 375 . 1 1 40 40 CYS N N 15 130.4860 0.4 . 1 . 53815 . A 362 CYS N . 19315 1 376 . 1 1 41 41 ARG H H 1 7.9120 0.025 . 1 . 53402 . A 363 ARG H . 19315 1 377 . 1 1 41 41 ARG HA H 1 4.2330 0.025 . 1 . . . A 363 ARG HA . 19315 1 378 . 1 1 41 41 ARG HB2 H 1 1.9320 0.025 . 2 . . . A 363 ARG HB2 . 19315 1 379 . 1 1 41 41 ARG HB3 H 1 2.0520 0.025 . 2 . . . A 363 ARG HB3 . 19315 1 380 . 1 1 41 41 ARG HG2 H 1 1.7680 0.025 . 2 . . . A 363 ARG HG2 . 19315 1 381 . 1 1 41 41 ARG HG3 H 1 2.2290 0.025 . 2 . . . A 363 ARG HG3 . 19315 1 382 . 1 1 41 41 ARG HD2 H 1 3.3010 0.025 . 2 . . . A 363 ARG HD2 . 19315 1 383 . 1 1 41 41 ARG CA C 13 56.6450 0.4 . 1 . 63168 . A 363 ARG CA . 19315 1 384 . 1 1 41 41 ARG CB C 13 30.2640 0.4 . 1 . 53430 . A 363 ARG CB . 19315 1 385 . 1 1 41 41 ARG CG C 13 27.2900 0.4 . 1 . . . A 363 ARG CG . 19315 1 386 . 1 1 41 41 ARG CD C 13 43.5000 0.4 . 1 . . . A 363 ARG CD . 19315 1 387 . 1 1 41 41 ARG N N 15 125.0720 0.4 . 1 . 53404 . A 363 ARG N . 19315 1 388 . 1 1 42 42 ASN H H 1 9.4680 0.025 . 1 . 53405 . A 364 ASN H . 19315 1 389 . 1 1 42 42 ASN HA H 1 4.7600 0.025 . 1 . . . A 364 ASN HA . 19315 1 390 . 1 1 42 42 ASN HB2 H 1 4.1050 0.025 . 2 . . . A 364 ASN HB2 . 19315 1 391 . 1 1 42 42 ASN HB3 H 1 2.7660 0.025 . 2 . . . A 364 ASN HB3 . 19315 1 392 . 1 1 42 42 ASN HD21 H 1 8.5270 0.025 . 2 . . . A 364 ASN HD21 . 19315 1 393 . 1 1 42 42 ASN HD22 H 1 7.4120 0.025 . 2 . . . A 364 ASN HD22 . 19315 1 394 . 1 1 42 42 ASN CA C 13 53.1600 0.4 . 1 . 52788 . A 364 ASN CA . 19315 1 395 . 1 1 42 42 ASN CB C 13 38.1280 0.4 . 1 . 52680 . A 364 ASN CB . 19315 1 396 . 1 1 42 42 ASN N N 15 124.3710 0.4 . 1 . 53407 . A 364 ASN N . 19315 1 397 . 1 1 42 42 ASN ND2 N 15 114.2200 0.4 . 1 . . . A 364 ASN ND2 . 19315 1 398 . 1 1 43 43 GLN H H 1 9.4280 0.025 . 1 . 53348 . A 365 GLN H . 19315 1 399 . 1 1 43 43 GLN HA H 1 3.9820 0.025 . 1 . . . A 365 GLN HA . 19315 1 400 . 1 1 43 43 GLN HB2 H 1 2.2240 0.025 . 2 . . . A 365 GLN HB2 . 19315 1 401 . 1 1 43 43 GLN HB3 H 1 2.1000 0.025 . 2 . . . A 365 GLN HB3 . 19315 1 402 . 1 1 43 43 GLN HG2 H 1 2.4900 0.025 . 2 . . . A 365 GLN HG2 . 19315 1 403 . 1 1 43 43 GLN HE21 H 1 7.4630 0.025 . 2 . . . A 365 GLN HE21 . 19315 1 404 . 1 1 43 43 GLN HE22 H 1 7.0530 0.025 . 2 . . . A 365 GLN HE22 . 19315 1 405 . 1 1 43 43 GLN CA C 13 58.1090 0.4 . 1 . 53193 . A 365 GLN CA . 19315 1 406 . 1 1 43 43 GLN CB C 13 28.1700 0.4 . 1 . 52677 . A 365 GLN CB . 19315 1 407 . 1 1 43 43 GLN CG C 13 33.8600 0.4 . 1 . . . A 365 GLN CG . 19315 1 408 . 1 1 43 43 GLN N N 15 129.3680 0.4 . 1 . 53350 . A 365 GLN N . 19315 1 409 . 1 1 43 43 GLN NE2 N 15 113.2200 0.4 . 1 . . . A 365 GLN NE2 . 19315 1 410 . 1 1 44 44 ASN H H 1 7.9770 0.025 . 1 . 53663 . A 366 ASN H . 19315 1 411 . 1 1 44 44 ASN HA H 1 4.7660 0.025 . 1 . . . A 366 ASN HA . 19315 1 412 . 1 1 44 44 ASN HB2 H 1 2.9560 0.025 . 2 . . . A 366 ASN HB2 . 19315 1 413 . 1 1 44 44 ASN HB3 H 1 2.6540 0.025 . 2 . . . A 366 ASN HB3 . 19315 1 414 . 1 1 44 44 ASN HD21 H 1 7.6970 0.025 . 2 . . . A 366 ASN HD21 . 19315 1 415 . 1 1 44 44 ASN HD22 H 1 7.0300 0.025 . 2 . . . A 366 ASN HD22 . 19315 1 416 . 1 1 44 44 ASN CA C 13 53.4790 0.4 . 1 . 60263 . A 366 ASN CA . 19315 1 417 . 1 1 44 44 ASN CB C 13 38.8130 0.4 . 1 . 60262 . A 366 ASN CB . 19315 1 418 . 1 1 44 44 ASN N N 15 115.0990 0.4 . 1 . 53665 . A 366 ASN N . 19315 1 419 . 1 1 44 44 ASN ND2 N 15 113.7200 0.4 . 1 . . . A 366 ASN ND2 . 19315 1 420 . 1 1 45 45 CYS H H 1 8.1340 0.025 . 1 . 53423 . A 367 CYS H . 19315 1 421 . 1 1 45 45 CYS HA H 1 4.3630 0.025 . 1 . . . A 367 CYS HA . 19315 1 422 . 1 1 45 45 CYS HB2 H 1 3.1670 0.025 . 2 . . . A 367 CYS HB2 . 19315 1 423 . 1 1 45 45 CYS HB3 H 1 2.4790 0.025 . 2 . . . A 367 CYS HB3 . 19315 1 424 . 1 1 45 45 CYS CA C 13 60.8800 0.4 . 1 . 52941 . A 367 CYS CA . 19315 1 425 . 1 1 45 45 CYS CB C 13 32.5640 0.4 . 1 . 52932 . A 367 CYS CB . 19315 1 426 . 1 1 45 45 CYS N N 15 124.0970 0.4 . 1 . 53425 . A 367 CYS N . 19315 1 427 . 1 1 46 46 LYS H H 1 7.8380 0.025 . 1 . 53729 . A 368 LYS H . 19315 1 428 . 1 1 46 46 LYS HA H 1 4.1750 0.025 . 1 . . . A 368 LYS HA . 19315 1 429 . 1 1 46 46 LYS HB2 H 1 2.0050 0.025 . 2 . . . A 368 LYS HB2 . 19315 1 430 . 1 1 46 46 LYS HB3 H 1 1.9010 0.025 . 2 . . . A 368 LYS HB3 . 19315 1 431 . 1 1 46 46 LYS HG2 H 1 1.3180 0.025 . 2 . . . A 368 LYS HG2 . 19315 1 432 . 1 1 46 46 LYS HD2 H 1 1.7240 0.025 . 2 . . . A 368 LYS HD2 . 19315 1 433 . 1 1 46 46 LYS HE2 H 1 3.0660 0.025 . 2 . . . A 368 LYS HE2 . 19315 1 434 . 1 1 46 46 LYS HE3 H 1 2.9680 0.025 . 2 . . . A 368 LYS HE3 . 19315 1 435 . 1 1 46 46 LYS CA C 13 57.8740 0.4 . 1 . 53370 . A 368 LYS CA . 19315 1 436 . 1 1 46 46 LYS CB C 13 29.6310 0.4 . 1 . 53271 . A 368 LYS CB . 19315 1 437 . 1 1 46 46 LYS CG C 13 24.9800 0.4 . 1 . . . A 368 LYS CG . 19315 1 438 . 1 1 46 46 LYS CD C 13 29.4400 0.4 . 1 . . . A 368 LYS CD . 19315 1 439 . 1 1 46 46 LYS CE C 13 41.8300 0.4 . 1 . . . A 368 LYS CE . 19315 1 440 . 1 1 46 46 LYS N N 15 109.3660 0.4 . 1 . 53731 . A 368 LYS N . 19315 1 441 . 1 1 47 47 ALA H H 1 8.9570 0.025 . 1 . 53384 . A 369 ALA H . 19315 1 442 . 1 1 47 47 ALA HA H 1 4.2130 0.025 . 1 . . . A 369 ALA HA . 19315 1 443 . 1 1 47 47 ALA HB1 H 1 1.5380 0.025 . 1 . . . A 369 ALA HB1 . 19315 1 444 . 1 1 47 47 ALA HB2 H 1 1.5380 0.025 . 1 . . . A 369 ALA HB2 . 19315 1 445 . 1 1 47 47 ALA HB3 H 1 1.5380 0.025 . 1 . . . A 369 ALA HB3 . 19315 1 446 . 1 1 47 47 ALA CA C 13 54.2500 0.4 . 1 . 52728 . A 369 ALA CA . 19315 1 447 . 1 1 47 47 ALA CB C 13 20.0470 0.4 . 1 . 60235 . A 369 ALA CB . 19315 1 448 . 1 1 47 47 ALA N N 15 125.6360 0.4 . 1 . 53386 . A 369 ALA N . 19315 1 449 . 1 1 48 48 GLU H H 1 8.4370 0.025 . 1 . 60222 . A 370 GLU H . 19315 1 450 . 1 1 48 48 GLU HA H 1 5.7130 0.025 . 1 . . . A 370 GLU HA . 19315 1 451 . 1 1 48 48 GLU HB2 H 1 2.2500 0.025 . 2 . . . A 370 GLU HB2 . 19315 1 452 . 1 1 48 48 GLU HB3 H 1 2.0000 0.025 . 2 . . . A 370 GLU HB3 . 19315 1 453 . 1 1 48 48 GLU HG2 H 1 2.3200 0.025 . 2 . . . A 370 GLU HG2 . 19315 1 454 . 1 1 48 48 GLU HG3 H 1 2.6390 0.025 . 2 . . . A 370 GLU HG3 . 19315 1 455 . 1 1 48 48 GLU CA C 13 54.6540 0.4 . 1 . 60267 . A 370 GLU CA . 19315 1 456 . 1 1 48 48 GLU CB C 13 31.6400 0.4 . 1 . 60266 . A 370 GLU CB . 19315 1 457 . 1 1 48 48 GLU CG C 13 37.4200 0.4 . 1 . . . A 370 GLU CG . 19315 1 458 . 1 1 48 48 GLU N N 15 117.2140 0.4 . 1 . 60224 . A 370 GLU N . 19315 1 459 . 1 1 49 49 PHE H H 1 8.6890 0.025 . 1 . 53759 . A 371 PHE H . 19315 1 460 . 1 1 49 49 PHE HA H 1 5.5860 0.025 . 1 . . . A 371 PHE HA . 19315 1 461 . 1 1 49 49 PHE HB2 H 1 2.8500 0.025 . 2 . . . A 371 PHE HB2 . 19315 1 462 . 1 1 49 49 PHE HB3 H 1 2.8790 0.025 . 2 . . . A 371 PHE HB3 . 19315 1 463 . 1 1 49 49 PHE HD2 H 1 6.9080 0.025 . 3 . . . A 371 PHE HD2 . 19315 1 464 . 1 1 49 49 PHE HE2 H 1 7.1300 0.025 . 3 . . . A 371 PHE HE2 . 19315 1 465 . 1 1 49 49 PHE HZ H 1 6.9500 0.025 . 1 . . . A 371 PHE HZ . 19315 1 466 . 1 1 49 49 PHE CA C 13 55.3730 0.4 . 1 . 60479 . A 371 PHE CA . 19315 1 467 . 1 1 49 49 PHE CB C 13 41.6790 0.4 . 1 . 60476 . A 371 PHE CB . 19315 1 468 . 1 1 49 49 PHE CD2 C 13 133.2500 0.4 . 3 . . . A 371 PHE CD2 . 19315 1 469 . 1 1 49 49 PHE CE2 C 13 131.0500 0.4 . 3 . . . A 371 PHE CE2 . 19315 1 470 . 1 1 49 49 PHE CZ C 13 128.7600 0.4 . 1 . . . A 371 PHE CZ . 19315 1 471 . 1 1 49 49 PHE N N 15 122.0600 0.4 . 1 . 53761 . A 371 PHE N . 19315 1 472 . 1 1 50 50 CYS H H 1 8.6860 0.025 . 1 . 60472 . A 372 CYS H . 19315 1 473 . 1 1 50 50 CYS HA H 1 5.2320 0.025 . 1 . . . A 372 CYS HA . 19315 1 474 . 1 1 50 50 CYS HB2 H 1 3.3840 0.025 . 2 . . . A 372 CYS HB2 . 19315 1 475 . 1 1 50 50 CYS HB3 H 1 2.0520 0.025 . 2 . . . A 372 CYS HB3 . 19315 1 476 . 1 1 50 50 CYS CA C 13 56.7710 0.4 . 1 . 53343 . A 372 CYS CA . 19315 1 477 . 1 1 50 50 CYS CB C 13 33.6200 0.4 . 1 . 60485 . A 372 CYS CB . 19315 1 478 . 1 1 50 50 CYS N N 15 122.4200 0.4 . 1 . 60474 . A 372 CYS N . 19315 1 479 . 1 1 51 51 TRP H H 1 9.8410 0.025 . 1 . 53342 . A 373 TRP H . 19315 1 480 . 1 1 51 51 TRP HA H 1 4.2460 0.025 . 1 . . . A 373 TRP HA . 19315 1 481 . 1 1 51 51 TRP HB2 H 1 3.6810 0.025 . 2 . . . A 373 TRP HB2 . 19315 1 482 . 1 1 51 51 TRP HB3 H 1 3.1550 0.025 . 2 . . . A 373 TRP HB3 . 19315 1 483 . 1 1 51 51 TRP HD1 H 1 7.0650 0.025 . 1 . . . A 373 TRP HD1 . 19315 1 484 . 1 1 51 51 TRP HE1 H 1 10.2310 0.025 . 1 . . . A 373 TRP HE1 . 19315 1 485 . 1 1 51 51 TRP HE3 H 1 7.4500 0.025 . 1 . . . A 373 TRP HE3 . 19315 1 486 . 1 1 51 51 TRP HZ2 H 1 7.4980 0.025 . 1 . . . A 373 TRP HZ2 . 19315 1 487 . 1 1 51 51 TRP HZ3 H 1 6.9400 0.025 . 1 . . . A 373 TRP HZ3 . 19315 1 488 . 1 1 51 51 TRP HH2 H 1 7.2300 0.025 . 1 . . . A 373 TRP HH2 . 19315 1 489 . 1 1 51 51 TRP CA C 13 60.4760 0.4 . 1 . 52653 . A 373 TRP CA . 19315 1 490 . 1 1 51 51 TRP CB C 13 31.9340 0.4 . 1 . 52662 . A 373 TRP CB . 19315 1 491 . 1 1 51 51 TRP CD1 C 13 126.8200 0.4 . 1 . . . A 373 TRP CD1 . 19315 1 492 . 1 1 51 51 TRP CE3 C 13 120.7000 0.4 . 1 . . . A 373 TRP CE3 . 19315 1 493 . 1 1 51 51 TRP CZ2 C 13 115.0200 0.4 . 1 . . . A 373 TRP CZ2 . 19315 1 494 . 1 1 51 51 TRP CZ3 C 13 121.6900 0.4 . 1 . . . A 373 TRP CZ3 . 19315 1 495 . 1 1 51 51 TRP CH2 C 13 125.6200 0.4 . 1 . . . A 373 TRP CH2 . 19315 1 496 . 1 1 51 51 TRP N N 15 130.4880 0.4 . 1 . 53344 . A 373 TRP N . 19315 1 497 . 1 1 51 51 TRP NE1 N 15 128.8970 0.4 . 1 . . . A 373 TRP NE1 . 19315 1 498 . 1 1 52 52 VAL H H 1 8.9790 0.025 . 1 . 53594 . A 374 VAL H . 19315 1 499 . 1 1 52 52 VAL HA H 1 3.4800 0.025 . 1 . . . A 374 VAL HA . 19315 1 500 . 1 1 52 52 VAL HB H 1 2.1630 0.025 . 1 . . . A 374 VAL HB . 19315 1 501 . 1 1 52 52 VAL HG11 H 1 0.9530 0.025 . 2 . . . A 374 VAL HG11 . 19315 1 502 . 1 1 52 52 VAL HG12 H 1 0.9530 0.025 . 2 . . . A 374 VAL HG12 . 19315 1 503 . 1 1 52 52 VAL HG13 H 1 0.9530 0.025 . 2 . . . A 374 VAL HG13 . 19315 1 504 . 1 1 52 52 VAL HG21 H 1 1.2040 0.025 . 2 . . . A 374 VAL HG21 . 19315 1 505 . 1 1 52 52 VAL HG22 H 1 1.2040 0.025 . 2 . . . A 374 VAL HG22 . 19315 1 506 . 1 1 52 52 VAL HG23 H 1 1.2040 0.025 . 2 . . . A 374 VAL HG23 . 19315 1 507 . 1 1 52 52 VAL CA C 13 66.3150 0.4 . 1 . 53097 . A 374 VAL CA . 19315 1 508 . 1 1 52 52 VAL CB C 13 32.8900 0.4 . 1 . . . A 374 VAL CB . 19315 1 509 . 1 1 52 52 VAL CG1 C 13 21.5100 0.4 . 2 . . . A 374 VAL CG1 . 19315 1 510 . 1 1 52 52 VAL CG2 C 13 22.6200 0.4 . 2 . . . A 374 VAL CG2 . 19315 1 511 . 1 1 52 52 VAL N N 15 117.2530 0.4 . 1 . 53596 . A 374 VAL N . 19315 1 512 . 1 1 53 53 CYS H H 1 8.1360 0.025 . 1 . 61916 . A 375 CYS H . 19315 1 513 . 1 1 53 53 CYS HA H 1 4.8730 0.025 . 1 . . . A 375 CYS HA . 19315 1 514 . 1 1 53 53 CYS HB2 H 1 3.3950 0.025 . 2 . . . A 375 CYS HB2 . 19315 1 515 . 1 1 53 53 CYS HB3 H 1 3.1290 0.025 . 2 . . . A 375 CYS HB3 . 19315 1 516 . 1 1 53 53 CYS CA C 13 58.4590 0.4 . 1 . 61920 . A 375 CYS CA . 19315 1 517 . 1 1 53 53 CYS CB C 13 32.0600 0.4 . 1 . 61923 . A 375 CYS CB . 19315 1 518 . 1 1 53 53 CYS N N 15 116.1390 0.4 . 1 . 61918 . A 375 CYS N . 19315 1 519 . 1 1 54 54 LEU H H 1 8.4240 0.025 . 1 . 56603 . A 376 LEU H . 19315 1 520 . 1 1 54 54 LEU HA H 1 4.4670 0.025 . 1 . . . A 376 LEU HA . 19315 1 521 . 1 1 54 54 LEU HB2 H 1 2.1650 0.025 . 2 . . . A 376 LEU HB2 . 19315 1 522 . 1 1 54 54 LEU HB3 H 1 1.5450 0.025 . 2 . . . A 376 LEU HB3 . 19315 1 523 . 1 1 54 54 LEU HG H 1 1.4180 0.025 . 1 . . . A 376 LEU HG . 19315 1 524 . 1 1 54 54 LEU HD11 H 1 0.7940 0.025 . 2 . . . A 376 LEU HD11 . 19315 1 525 . 1 1 54 54 LEU HD12 H 1 0.7940 0.025 . 2 . . . A 376 LEU HD12 . 19315 1 526 . 1 1 54 54 LEU HD13 H 1 0.7940 0.025 . 2 . . . A 376 LEU HD13 . 19315 1 527 . 1 1 54 54 LEU HD21 H 1 0.8170 0.025 . 2 . . . A 376 LEU HD21 . 19315 1 528 . 1 1 54 54 LEU HD22 H 1 0.8170 0.025 . 2 . . . A 376 LEU HD22 . 19315 1 529 . 1 1 54 54 LEU HD23 H 1 0.8170 0.025 . 2 . . . A 376 LEU HD23 . 19315 1 530 . 1 1 54 54 LEU CA C 13 57.1960 0.4 . 1 . 59658 . A 376 LEU CA . 19315 1 531 . 1 1 54 54 LEU CB C 13 39.0380 0.4 . 1 . 56610 . A 376 LEU CB . 19315 1 532 . 1 1 54 54 LEU CG C 13 27.1000 0.4 . 1 . . . A 376 LEU CG . 19315 1 533 . 1 1 54 54 LEU CD1 C 13 23.1300 0.4 . 2 . . . A 376 LEU CD1 . 19315 1 534 . 1 1 54 54 LEU CD2 C 13 25.7200 0.4 . 2 . . . A 376 LEU CD2 . 19315 1 535 . 1 1 54 54 LEU N N 15 120.4320 0.4 . 1 . 56605 . A 376 LEU N . 19315 1 536 . 1 1 55 55 GLY H H 1 9.3320 0.025 . 1 . 59657 . A 377 GLY H . 19315 1 537 . 1 1 55 55 GLY HA2 H 1 4.5670 0.025 . 2 . . . A 377 GLY HA2 . 19315 1 538 . 1 1 55 55 GLY HA3 H 1 4.0240 0.025 . 2 . . . A 377 GLY HA3 . 19315 1 539 . 1 1 55 55 GLY CA C 13 43.5620 0.4 . 1 . 59664 . A 377 GLY CA . 19315 1 540 . 1 1 55 55 GLY N N 15 111.7810 0.4 . 1 . 59659 . A 377 GLY N . 19315 1 541 . 1 1 56 56 PRO HA H 1 4.7200 0.025 . 1 . . . A 378 PRO HA . 19315 1 542 . 1 1 56 56 PRO HB2 H 1 1.8680 0.025 . 2 . . . A 378 PRO HB2 . 19315 1 543 . 1 1 56 56 PRO HB3 H 1 2.5230 0.025 . 2 . . . A 378 PRO HB3 . 19315 1 544 . 1 1 56 56 PRO HG2 H 1 2.0100 0.025 . 2 . . . A 378 PRO HG2 . 19315 1 545 . 1 1 56 56 PRO HG3 H 1 2.1150 0.025 . 2 . . . A 378 PRO HG3 . 19315 1 546 . 1 1 56 56 PRO HD2 H 1 3.7080 0.025 . 2 . . . A 378 PRO HD2 . 19315 1 547 . 1 1 56 56 PRO HD3 H 1 3.7710 0.025 . 2 . . . A 378 PRO HD3 . 19315 1 548 . 1 1 56 56 PRO CA C 13 62.7270 0.4 . 1 . 54914 . A 378 PRO CA . 19315 1 549 . 1 1 56 56 PRO CB C 13 31.9200 0.4 . 1 . 54923 . A 378 PRO CB . 19315 1 550 . 1 1 56 56 PRO CG C 13 27.6800 0.4 . 1 . . . A 378 PRO CG . 19315 1 551 . 1 1 56 56 PRO CD C 13 49.5800 0.4 . 1 . . . A 378 PRO CD . 19315 1 552 . 1 1 57 57 TRP H H 1 8.1430 0.025 . 1 . 54913 . A 379 TRP H . 19315 1 553 . 1 1 57 57 TRP HA H 1 4.1570 0.025 . 1 . . . A 379 TRP HA . 19315 1 554 . 1 1 57 57 TRP HB2 H 1 2.7110 0.025 . 2 . . . A 379 TRP HB2 . 19315 1 555 . 1 1 57 57 TRP HB3 H 1 3.0050 0.025 . 2 . . . A 379 TRP HB3 . 19315 1 556 . 1 1 57 57 TRP HD1 H 1 6.7930 0.025 . 1 . . . A 379 TRP HD1 . 19315 1 557 . 1 1 57 57 TRP HE1 H 1 9.6850 0.025 . 1 . . . A 379 TRP HE1 . 19315 1 558 . 1 1 57 57 TRP HE3 H 1 7.1400 0.025 . 1 . . . A 379 TRP HE3 . 19315 1 559 . 1 1 57 57 TRP HZ2 H 1 7.4700 0.025 . 1 . . . A 379 TRP HZ2 . 19315 1 560 . 1 1 57 57 TRP HZ3 H 1 7.1080 0.025 . 1 . . . A 379 TRP HZ3 . 19315 1 561 . 1 1 57 57 TRP CA C 13 59.7520 0.4 . 1 . 54926 . A 379 TRP CA . 19315 1 562 . 1 1 57 57 TRP CB C 13 30.0600 0.4 . 1 . 54920 . A 379 TRP CB . 19315 1 563 . 1 1 57 57 TRP CD1 C 13 126.1090 0.4 . 1 . . . A 379 TRP CD1 . 19315 1 564 . 1 1 57 57 TRP CE3 C 13 120.9400 0.4 . 1 . . . A 379 TRP CE3 . 19315 1 565 . 1 1 57 57 TRP CZ2 C 13 115.0200 0.4 . 1 . . . A 379 TRP CZ2 . 19315 1 566 . 1 1 57 57 TRP CZ3 C 13 122.1800 0.4 . 1 . . . A 379 TRP CZ3 . 19315 1 567 . 1 1 57 57 TRP N N 15 122.7080 0.4 . 1 . 54915 . A 379 TRP N . 19315 1 568 . 1 1 57 57 TRP NE1 N 15 129.3010 0.4 . 1 . . . A 379 TRP NE1 . 19315 1 569 . 1 1 58 58 GLU H H 1 9.0780 0.025 . 1 . 53876 . A 380 GLU H . 19315 1 570 . 1 1 58 58 GLU HA H 1 3.8800 0.025 . 1 . . . A 380 GLU HA . 19315 1 571 . 1 1 58 58 GLU HB2 H 1 2.0470 0.025 . 2 . . . A 380 GLU HB2 . 19315 1 572 . 1 1 58 58 GLU HB3 H 1 2.1740 0.025 . 2 . . . A 380 GLU HB3 . 19315 1 573 . 1 1 58 58 GLU HG2 H 1 2.2800 0.025 . 2 . . . A 380 GLU HG2 . 19315 1 574 . 1 1 58 58 GLU CA C 13 62.3600 0.4 . 1 . 52986 . A 380 GLU CA . 19315 1 575 . 1 1 58 58 GLU CB C 13 27.6400 0.4 . 1 . 52983 . A 380 GLU CB . 19315 1 576 . 1 1 58 58 GLU CG C 13 36.3000 0.4 . 1 . . . A 380 GLU CG . 19315 1 577 . 1 1 58 58 GLU N N 15 118.6430 0.4 . 1 . 53877 . A 380 GLU N . 19315 1 578 . 1 1 59 59 PRO HA H 1 4.1810 0.025 . 1 . . . A 381 PRO HA . 19315 1 579 . 1 1 59 59 PRO HB2 H 1 1.9640 0.025 . 2 . . . A 381 PRO HB2 . 19315 1 580 . 1 1 59 59 PRO HB3 H 1 1.0000 0.025 . 2 . . . A 381 PRO HB3 . 19315 1 581 . 1 1 59 59 PRO HG2 H 1 1.7800 0.025 . 2 . . . A 381 PRO HG2 . 19315 1 582 . 1 1 59 59 PRO HG3 H 1 1.4180 0.025 . 2 . . . A 381 PRO HG3 . 19315 1 583 . 1 1 59 59 PRO HD2 H 1 3.5130 0.025 . 2 . . . A 381 PRO HD2 . 19315 1 584 . 1 1 59 59 PRO HD3 H 1 3.3000 0.025 . 2 . . . A 381 PRO HD3 . 19315 1 585 . 1 1 59 59 PRO CA C 13 65.1260 0.4 . 1 . 63596 . A 381 PRO CA . 19315 1 586 . 1 1 59 59 PRO CB C 13 30.9980 0.4 . 1 . 63605 . A 381 PRO CB . 19315 1 587 . 1 1 59 59 PRO CG C 13 27.7100 0.4 . 1 . . . A 381 PRO CG . 19315 1 588 . 1 1 59 59 PRO CD C 13 49.2700 0.4 . 1 . . . A 381 PRO CD . 19315 1 589 . 1 1 60 60 HIS H H 1 7.9910 0.025 . 1 . 63595 . A 382 HIS H . 19315 1 590 . 1 1 60 60 HIS HA H 1 3.6300 0.025 . 1 . . . A 382 HIS HA . 19315 1 591 . 1 1 60 60 HIS HB2 H 1 2.2400 0.025 . 2 . . . A 382 HIS HB2 . 19315 1 592 . 1 1 60 60 HIS HB3 H 1 1.4580 0.025 . 2 . . . A 382 HIS HB3 . 19315 1 593 . 1 1 60 60 HIS HD1 H 1 10.5000 0.025 . 1 . . . A 382 HIS HD1 . 19315 1 594 . 1 1 60 60 HIS HD2 H 1 6.9300 0.025 . 1 . . . A 382 HIS HD2 . 19315 1 595 . 1 1 60 60 HIS HE1 H 1 7.2660 0.025 . 1 . . . A 382 HIS HE1 . 19315 1 596 . 1 1 60 60 HIS CA C 13 58.8140 0.4 . 1 . 61489 . A 382 HIS CA . 19315 1 597 . 1 1 60 60 HIS CB C 13 26.0320 0.4 . 1 . 63602 . A 382 HIS CB . 19315 1 598 . 1 1 60 60 HIS CD2 C 13 127.4000 0.4 . 1 . . . A 382 HIS CD2 . 19315 1 599 . 1 1 60 60 HIS CE1 C 13 139.0700 0.4 . 1 . . . A 382 HIS CE1 . 19315 1 600 . 1 1 60 60 HIS N N 15 114.4420 0.4 . 1 . 63597 . A 382 HIS N . 19315 1 601 . 1 1 60 60 HIS ND1 N 15 212.0060 0.4 . 1 . . . A 382 HIS ND1 . 19315 1 602 . 1 1 60 60 HIS NE2 N 15 213.9090 0.4 . 1 . . . A 382 HIS NE2 . 19315 1 603 . 1 1 61 61 GLY H H 1 7.8700 0.025 . 1 . 60763 . A 383 GLY H . 19315 1 604 . 1 1 61 61 GLY HA2 H 1 3.7920 0.025 . 2 . . . A 383 GLY HA2 . 19315 1 605 . 1 1 61 61 GLY HA3 H 1 3.8600 0.025 . 2 . . . A 383 GLY HA3 . 19315 1 606 . 1 1 61 61 GLY CA C 13 45.6990 0.4 . 1 . 58767 . A 383 GLY CA . 19315 1 607 . 1 1 61 61 GLY N N 15 107.1580 0.4 . 1 . 60765 . A 383 GLY N . 19315 1 608 . 1 1 62 62 SER H H 1 7.5940 0.025 . 1 . 58763 . A 384 SER H . 19315 1 609 . 1 1 62 62 SER HA H 1 4.2860 0.025 . 1 . . . A 384 SER HA . 19315 1 610 . 1 1 62 62 SER HB2 H 1 3.4680 0.025 . 2 . . . A 384 SER HB2 . 19315 1 611 . 1 1 62 62 SER HB3 H 1 3.5870 0.025 . 2 . . . A 384 SER HB3 . 19315 1 612 . 1 1 62 62 SER CA C 13 57.7590 0.4 . 1 . 53748 . A 384 SER CA . 19315 1 613 . 1 1 62 62 SER CB C 13 63.7800 0.4 . 1 . 58773 . A 384 SER CB . 19315 1 614 . 1 1 62 62 SER N N 15 116.6500 0.4 . 1 . 58765 . A 384 SER N . 19315 1 615 . 1 1 63 63 ALA H H 1 8.3660 0.025 . 1 . 53744 . A 385 ALA H . 19315 1 616 . 1 1 63 63 ALA HA H 1 4.2340 0.025 . 1 . . . A 385 ALA HA . 19315 1 617 . 1 1 63 63 ALA HB1 H 1 1.3180 0.025 . 1 . . . A 385 ALA HB1 . 19315 1 618 . 1 1 63 63 ALA HB2 H 1 1.3180 0.025 . 1 . . . A 385 ALA HB2 . 19315 1 619 . 1 1 63 63 ALA HB3 H 1 1.3180 0.025 . 1 . . . A 385 ALA HB3 . 19315 1 620 . 1 1 63 63 ALA CA C 13 53.2820 0.4 . 1 . 60369 . A 385 ALA CA . 19315 1 621 . 1 1 63 63 ALA CB C 13 18.2980 0.4 . 1 . 52743 . A 385 ALA CB . 19315 1 622 . 1 1 63 63 ALA N N 15 125.6120 0.4 . 1 . 53746 . A 385 ALA N . 19315 1 623 . 1 1 64 64 TRP H H 1 7.3650 0.025 . 1 . 60368 . A 386 TRP H . 19315 1 624 . 1 1 64 64 TRP HA H 1 4.6040 0.025 . 1 . . . A 386 TRP HA . 19315 1 625 . 1 1 64 64 TRP HB2 H 1 3.1720 0.025 . 2 . . . A 386 TRP HB2 . 19315 1 626 . 1 1 64 64 TRP HD1 H 1 7.2500 0.025 . 1 . . . A 386 TRP HD1 . 19315 1 627 . 1 1 64 64 TRP HE1 H 1 10.2760 0.025 . 1 . . . A 386 TRP HE1 . 19315 1 628 . 1 1 64 64 TRP HE3 H 1 7.4900 0.025 . 1 . . . A 386 TRP HE3 . 19315 1 629 . 1 1 64 64 TRP HZ2 H 1 7.2300 0.025 . 1 . . . A 386 TRP HZ2 . 19315 1 630 . 1 1 64 64 TRP HZ3 H 1 6.7100 0.025 . 1 . . . A 386 TRP HZ3 . 19315 1 631 . 1 1 64 64 TRP HH2 H 1 7.1630 0.025 . 1 . . . A 386 TRP HH2 . 19315 1 632 . 1 1 64 64 TRP CA C 13 56.6540 0.4 . 1 . 60997 . A 386 TRP CA . 19315 1 633 . 1 1 64 64 TRP CB C 13 29.1160 0.4 . 1 . 60375 . A 386 TRP CB . 19315 1 634 . 1 1 64 64 TRP CD1 C 13 127.0300 0.4 . 1 . . . A 386 TRP CD1 . 19315 1 635 . 1 1 64 64 TRP CE3 C 13 120.8050 0.4 . 1 . . . A 386 TRP CE3 . 19315 1 636 . 1 1 64 64 TRP CZ2 C 13 114.6000 0.4 . 1 . . . A 386 TRP CZ2 . 19315 1 637 . 1 1 64 64 TRP CZ3 C 13 121.4400 0.4 . 1 . . . A 386 TRP CZ3 . 19315 1 638 . 1 1 64 64 TRP CH2 C 13 124.5120 0.4 . 1 . . . A 386 TRP CH2 . 19315 1 639 . 1 1 64 64 TRP N N 15 114.7480 0.4 . 1 . 60370 . A 386 TRP N . 19315 1 640 . 1 1 64 64 TRP NE1 N 15 130.3190 0.4 . 1 . . . A 386 TRP NE1 . 19315 1 641 . 1 1 65 65 TYR H H 1 7.3200 0.025 . 1 . . . A 387 TYR H . 19315 1 642 . 1 1 65 65 TYR HA H 1 4.2550 0.025 . 1 . . . A 387 TYR HA . 19315 1 643 . 1 1 65 65 TYR HB2 H 1 2.3050 0.025 . 2 . . . A 387 TYR HB2 . 19315 1 644 . 1 1 65 65 TYR HB3 H 1 2.6390 0.025 . 2 . . . A 387 TYR HB3 . 19315 1 645 . 1 1 65 65 TYR HD1 H 1 6.6900 0.025 . 3 . . . A 387 TYR HD1 . 19315 1 646 . 1 1 65 65 TYR HE1 H 1 6.4320 0.025 . 3 . . . A 387 TYR HE1 . 19315 1 647 . 1 1 65 65 TYR CA C 13 58.6000 0.4 . 1 . . . A 387 TYR CA . 19315 1 648 . 1 1 65 65 TYR CB C 13 39.3400 0.4 . 1 . . . A 387 TYR CB . 19315 1 649 . 1 1 65 65 TYR CD1 C 13 132.7800 0.4 . 3 . . . A 387 TYR CD1 . 19315 1 650 . 1 1 65 65 TYR CE1 C 13 117.7200 0.4 . 3 . . . A 387 TYR CE1 . 19315 1 651 . 1 1 65 65 TYR N N 15 120.5900 0.4 . 1 . . . A 387 TYR N . 19315 1 652 . 1 1 66 66 ASN H H 1 7.6250 0.025 . 1 . . . A 388 ASN H . 19315 1 653 . 1 1 66 66 ASN HA H 1 4.6940 0.025 . 1 . . . A 388 ASN HA . 19315 1 654 . 1 1 66 66 ASN HB2 H 1 2.6450 0.025 . 2 . . . A 388 ASN HB2 . 19315 1 655 . 1 1 66 66 ASN HB3 H 1 2.5370 0.025 . 2 . . . A 388 ASN HB3 . 19315 1 656 . 1 1 66 66 ASN HD21 H 1 6.8730 0.025 . 2 . . . A 388 ASN HD21 . 19315 1 657 . 1 1 66 66 ASN HD22 H 1 7.5120 0.025 . 2 . . . A 388 ASN HD22 . 19315 1 658 . 1 1 66 66 ASN CA C 13 52.8000 0.4 . 1 . . . A 388 ASN CA . 19315 1 659 . 1 1 66 66 ASN CB C 13 39.7000 0.4 . 1 . . . A 388 ASN CB . 19315 1 660 . 1 1 66 66 ASN N N 15 123.0780 0.4 . 1 . . . A 388 ASN N . 19315 1 661 . 1 1 66 66 ASN ND2 N 15 112.4010 0.4 . 1 . . . A 388 ASN ND2 . 19315 1 662 . 1 1 67 67 CYS H H 1 8.0540 0.025 . 1 . . . A 389 CYS H . 19315 1 663 . 1 1 67 67 CYS HA H 1 4.2930 0.025 . 1 . . . A 389 CYS HA . 19315 1 664 . 1 1 67 67 CYS HB2 H 1 2.9430 0.025 . 2 . . . A 389 CYS HB2 . 19315 1 665 . 1 1 67 67 CYS CA C 13 60.4000 0.4 . 1 . . . A 389 CYS CA . 19315 1 666 . 1 1 67 67 CYS CB C 13 29.7000 0.4 . 1 . . . A 389 CYS CB . 19315 1 667 . 1 1 67 67 CYS N N 15 124.8060 0.4 . 1 . . . A 389 CYS N . 19315 1 668 . 1 1 68 68 ASN H H 1 8.3520 0.025 . 1 . . . A 390 ASN H . 19315 1 669 . 1 1 68 68 ASN HA H 1 4.7930 0.025 . 1 . . . A 390 ASN HA . 19315 1 670 . 1 1 68 68 ASN HB2 H 1 2.7930 0.025 . 2 . . . A 390 ASN HB2 . 19315 1 671 . 1 1 68 68 ASN HD21 H 1 7.5110 0.025 . 2 . . . A 390 ASN HD21 . 19315 1 672 . 1 1 68 68 ASN HD22 H 1 6.8390 0.025 . 2 . . . A 390 ASN HD22 . 19315 1 673 . 1 1 68 68 ASN CA C 13 53.1000 0.4 . 1 . . . A 390 ASN CA . 19315 1 674 . 1 1 68 68 ASN CB C 13 39.3000 0.4 . 1 . . . A 390 ASN CB . 19315 1 675 . 1 1 68 68 ASN N N 15 123.8110 0.4 . 1 . . . A 390 ASN N . 19315 1 676 . 1 1 68 68 ASN ND2 N 15 111.6250 0.4 . 1 . . . A 390 ASN ND2 . 19315 1 677 . 1 1 69 69 ARG H H 1 8.2710 0.025 . 1 . . . A 391 ARG H . 19315 1 678 . 1 1 69 69 ARG HA H 1 4.2480 0.025 . 1 . . . A 391 ARG HA . 19315 1 679 . 1 1 69 69 ARG HB2 H 1 1.7960 0.025 . 2 . . . A 391 ARG HB2 . 19315 1 680 . 1 1 69 69 ARG HB3 H 1 1.6660 0.025 . 2 . . . A 391 ARG HB3 . 19315 1 681 . 1 1 69 69 ARG HG2 H 1 1.4810 0.025 . 2 . . . A 391 ARG HG2 . 19315 1 682 . 1 1 69 69 ARG HD2 H 1 3.0700 0.025 . 2 . . . A 391 ARG HD2 . 19315 1 683 . 1 1 69 69 ARG CA C 13 56.4400 0.4 . 1 . . . A 391 ARG CA . 19315 1 684 . 1 1 69 69 ARG CB C 13 30.6500 0.4 . 1 . . . A 391 ARG CB . 19315 1 685 . 1 1 69 69 ARG CG C 13 26.9100 0.4 . 1 . . . A 391 ARG CG . 19315 1 686 . 1 1 69 69 ARG CD C 13 43.1900 0.4 . 1 . . . A 391 ARG CD . 19315 1 687 . 1 1 69 69 ARG N N 15 121.0910 0.4 . 1 . . . A 391 ARG N . 19315 1 688 . 1 1 70 70 TYR H H 1 8.0440 0.025 . 1 . . . A 392 TYR H . 19315 1 689 . 1 1 70 70 TYR HA H 1 4.5520 0.025 . 1 . . . A 392 TYR HA . 19315 1 690 . 1 1 70 70 TYR HB2 H 1 3.0890 0.025 . 2 . . . A 392 TYR HB2 . 19315 1 691 . 1 1 70 70 TYR HB3 H 1 2.9960 0.025 . 2 . . . A 392 TYR HB3 . 19315 1 692 . 1 1 70 70 TYR HD1 H 1 7.1210 0.025 . 3 . . . A 392 TYR HD1 . 19315 1 693 . 1 1 70 70 TYR HE1 H 1 6.8290 0.025 . 3 . . . A 392 TYR HE1 . 19315 1 694 . 1 1 70 70 TYR CA C 13 58.2000 0.4 . 1 . . . A 392 TYR CA . 19315 1 695 . 1 1 70 70 TYR CB C 13 38.7000 0.4 . 1 . . . A 392 TYR CB . 19315 1 696 . 1 1 70 70 TYR CD1 C 13 133.3000 0.4 . 3 . . . A 392 TYR CD1 . 19315 1 697 . 1 1 70 70 TYR CE1 C 13 118.1800 0.4 . 3 . . . A 392 TYR CE1 . 19315 1 698 . 1 1 70 70 TYR N N 15 120.9240 0.4 . 1 . . . A 392 TYR N . 19315 1 699 . 1 1 71 71 ASN H H 1 8.1930 0.025 . 1 . . . A 393 ASN H . 19315 1 700 . 1 1 71 71 ASN HA H 1 4.6870 0.025 . 1 . . . A 393 ASN HA . 19315 1 701 . 1 1 71 71 ASN HB2 H 1 2.7820 0.025 . 2 . . . A 393 ASN HB2 . 19315 1 702 . 1 1 71 71 ASN HB3 H 1 2.6660 0.025 . 2 . . . A 393 ASN HB3 . 19315 1 703 . 1 1 71 71 ASN HD21 H 1 6.8620 0.025 . 2 . . . A 393 ASN HD21 . 19315 1 704 . 1 1 71 71 ASN HD22 H 1 7.5890 0.025 . 2 . . . A 393 ASN HD22 . 19315 1 705 . 1 1 71 71 ASN CA C 13 53.2000 0.4 . 1 . . . A 393 ASN CA . 19315 1 706 . 1 1 71 71 ASN CB C 13 39.2000 0.4 . 1 . . . A 393 ASN CB . 19315 1 707 . 1 1 71 71 ASN N N 15 120.9390 0.4 . 1 . . . A 393 ASN N . 19315 1 708 . 1 1 71 71 ASN ND2 N 15 112.7000 0.4 . 1 . . . A 393 ASN ND2 . 19315 1 709 . 1 1 72 72 GLU H H 1 8.2500 0.025 . 1 . . . A 394 GLU H . 19315 1 710 . 1 1 72 72 GLU HB2 H 1 2.1090 0.025 . 2 . . . A 394 GLU HB2 . 19315 1 711 . 1 1 72 72 GLU HB3 H 1 1.9280 0.025 . 2 . . . A 394 GLU HB3 . 19315 1 712 . 1 1 72 72 GLU HG2 H 1 2.2700 0.025 . 2 . . . A 394 GLU HG2 . 19315 1 713 . 1 1 72 72 GLU CA C 13 56.7000 0.4 . 1 . . . A 394 GLU CA . 19315 1 714 . 1 1 72 72 GLU CB C 13 30.3000 0.4 . 1 . . . A 394 GLU CB . 19315 1 715 . 1 1 72 72 GLU N N 15 121.2610 0.4 . 1 . . . A 394 GLU N . 19315 1 716 . 1 1 73 73 ASP H H 1 8.3160 0.025 . 1 . . . A 395 ASP H . 19315 1 717 . 1 1 73 73 ASP HA H 1 4.2620 0.025 . 1 . . . A 395 ASP HA . 19315 1 718 . 1 1 73 73 ASP HB2 H 1 2.5820 0.025 . 2 . . . A 395 ASP HB2 . 19315 1 719 . 1 1 73 73 ASP HB3 H 1 2.7600 0.025 . 2 . . . A 395 ASP HB3 . 19315 1 720 . 1 1 73 73 ASP CA C 13 54.4000 0.4 . 1 . . . A 395 ASP CA . 19315 1 721 . 1 1 73 73 ASP CB C 13 41.2000 0.4 . 1 . . . A 395 ASP CB . 19315 1 722 . 1 1 73 73 ASP N N 15 121.0560 0.4 . 1 . . . A 395 ASP N . 19315 1 723 . 1 1 74 74 ASP H H 1 7.8660 0.025 . 1 . . . A 396 ASP H . 19315 1 724 . 1 1 74 74 ASP HA H 1 4.6740 0.025 . 1 . . . A 396 ASP HA . 19315 1 725 . 1 1 74 74 ASP HB2 H 1 2.6660 0.025 . 2 . . . A 396 ASP HB2 . 19315 1 726 . 1 1 74 74 ASP HB3 H 1 2.5950 0.025 . 2 . . . A 396 ASP HB3 . 19315 1 727 . 1 1 74 74 ASP CA C 13 56.1000 0.4 . 1 . . . A 396 ASP CA . 19315 1 728 . 1 1 74 74 ASP CB C 13 42.1000 0.4 . 1 . . . A 396 ASP CB . 19315 1 729 . 1 1 74 74 ASP N N 15 126.0410 0.4 . 1 . . . A 396 ASP N . 19315 1 stop_ save_