data_5361 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5361 _Entry.Title ; Solution Structure of the DNA Complex of Human TRF1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-05-03 _Entry.Accession_date 2001-05-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 T. Nishikawa . . . 5361 2 H. Okamura . . . 5361 3 A. Nagadoi . . . 5361 4 P. Konig . . . 5361 5 D. Rhodes . . . 5361 6 Y. Nishimura . . . 5361 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 5361 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 655 5361 '13C chemical shifts' 186 5361 '15N chemical shifts' 67 5361 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 2 . . 2010-07-14 2002-05-02 update BMRB 'update DNA residue label to two-letter code' 5361 1 . . 2002-06-26 2002-05-02 original author 'original release' 5361 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5361 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21605735 _Citation.DOI . _Citation.PubMed_ID 11738049 _Citation.Full_citation . _Citation.Title 'Solution Structure of a Telomeric DNA Complex of Human TRF1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 12 _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 1237 _Citation.Page_last 1251 _Citation.Year 2001 _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 T. Nishikawa . . . 5361 1 2 H. Okamura . . . 5361 1 3 A. Nagadoi . . . 5361 1 4 P. Konig . . . 5361 1 5 D. Rhodes . . . 5361 1 6 Y. Nishimura . . . 5361 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID TELOMERES 5361 1 'Protein-DNA complex' 5361 1 'MYB DOMAIN' 5361 1 Helix-turn-helix 5361 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TRF1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TRF1 _Assembly.Entry_ID 5361 _Assembly.ID 1 _Assembly.Name 'TELOMERE REPEAT BINDING FACTOR 1/DNA Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5361 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'TELOMERE REPEAT BINDING FACTOR 1' 1 $TRF1 . . . native . . . . . 5361 1 2 5'-D(*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3' 2 $TRF1_DNA1 . . . native . . . . . 5361 1 3 5'-D(*CP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*C)-3' 3 $TRF1_DNA2 . . . native . . . . . 5361 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1IV6 . . . . . . 5361 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'TELOMERE REPEAT BINDING FACTOR 1/DNA Complex' system 5361 1 TRF1 abbreviation 5361 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TRF1 _Entity.Sf_category entity _Entity.Sf_framecode TRF1 _Entity.Entry_ID 5361 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Telomeric repeat binding factor 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTPEKHRARKRQAWLWEEDK NLRSGVRKYGEGNWSKILLH YKFNNRTSVMLKDRWRTMKK LKLISSDSED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4210 . hTRF1 . . . . . 75.71 53 100.00 100.00 6.12e-29 . . . . 5361 1 2 no BMRB 5317 . TRF1 . . . . . 98.57 69 100.00 100.00 2.68e-41 . . . . 5361 1 3 no PDB 1BA5 . "Dna-Binding Domain Of Human Telomeric Protein, Htrf1, Nmr, 18 Structures" . . . . . 75.71 53 100.00 100.00 6.12e-29 . . . . 5361 1 4 no PDB 1ITY . "Solution Structure Of The Dna Binding Domain Of Human Trf1" . . . . . 98.57 69 100.00 100.00 2.68e-41 . . . . 5361 1 5 no PDB 1IV6 . "Solution Structure Of The Dna Complex Of Human Trf1" . . . . . 100.00 70 100.00 100.00 3.84e-42 . . . . 5361 1 6 no PDB 1W0T . "Htrf1 Dna-Binding Domain In Complex With Telomeric Dna" . . . . . 75.71 53 100.00 100.00 7.36e-29 . . . . 5361 1 7 no DBJ BAF85218 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 439 98.57 100.00 1.12e-40 . . . . 5361 1 8 no EMBL CAA63768 . "telomeric DNA binding protein [Homo sapiens]" . . . . . 100.00 111 98.57 100.00 2.43e-42 . . . . 5361 1 9 no EMBL CAH92488 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 436 97.14 98.57 4.44e-40 . . . . 5361 1 10 no GB AAB53363 . "telomeric repeat DNA-binding protein [Homo sapiens]" . . . . . 100.00 419 98.57 100.00 1.37e-40 . . . . 5361 1 11 no GB AAB54036 . "telomeric repeat binding factor [Homo sapiens]" . . . . . 100.00 439 98.57 100.00 1.17e-40 . . . . 5361 1 12 no GB AAB81137 . "TTAGGG repeat binding factor 1 [Homo sapiens]" . . . . . 100.00 419 98.57 100.00 1.37e-40 . . . . 5361 1 13 no GB AAC02531 . "telomeric repeat binding factor 1 [Cricetulus griseus]" . . . . . 98.57 438 98.55 100.00 1.05e-39 . . . . 5361 1 14 no GB AAH29378 . "Telomeric repeat binding factor (NIMA-interacting) 1 [Homo sapiens]" . . . . . 100.00 419 98.57 100.00 1.43e-40 . . . . 5361 1 15 no REF NP_001126467 . "telomeric repeat-binding factor 1 [Pongo abelii]" . . . . . 100.00 436 97.14 98.57 4.44e-40 . . . . 5361 1 16 no REF NP_003209 . "telomeric repeat-binding factor 1 isoform 2 [Homo sapiens]" . . . . . 100.00 419 98.57 100.00 1.43e-40 . . . . 5361 1 17 no REF NP_059523 . "telomeric repeat-binding factor 1 isoform 1 [Homo sapiens]" . . . . . 100.00 439 98.57 100.00 1.14e-40 . . . . 5361 1 18 no REF XP_001164723 . "PREDICTED: telomeric repeat-binding factor 1 isoform X1 [Pan troglodytes]" . . . . . 100.00 439 97.14 98.57 4.20e-40 . . . . 5361 1 19 no REF XP_001164763 . "PREDICTED: telomeric repeat-binding factor 1 isoform X2 [Pan troglodytes]" . . . . . 100.00 419 97.14 98.57 4.99e-40 . . . . 5361 1 20 no SP O55036 . "RecName: Full=Telomeric repeat-binding factor 1; AltName: Full=TTAGGG repeat-binding factor 1, partial [Cricetulus griseus]" . . . . . 98.57 438 98.55 100.00 1.05e-39 . . . . 5361 1 21 no SP P54274 . "RecName: Full=Telomeric repeat-binding factor 1; AltName: Full=NIMA-interacting protein 2; AltName: Full=TTAGGG repeat-binding " . . . . . 100.00 439 98.57 100.00 1.14e-40 . . . . 5361 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Telomeric repeat binding factor 1' common 5361 1 TRF1 abbreviation 5361 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 1 370 MET . 5361 1 2 371 THR . 5361 1 3 372 PRO . 5361 1 4 373 GLU . 5361 1 5 374 LYS . 5361 1 6 375 HIS . 5361 1 7 376 ARG . 5361 1 8 377 ALA . 5361 1 9 378 ARG . 5361 1 10 379 LYS . 5361 1 11 380 ARG . 5361 1 12 381 GLN . 5361 1 13 382 ALA . 5361 1 14 383 TRP . 5361 1 15 384 LEU . 5361 1 16 385 TRP . 5361 1 17 386 GLU . 5361 1 18 387 GLU . 5361 1 19 388 ASP . 5361 1 20 389 LYS . 5361 1 21 390 ASN . 5361 1 22 391 LEU . 5361 1 23 392 ARG . 5361 1 24 393 SER . 5361 1 25 394 GLY . 5361 1 26 395 VAL . 5361 1 27 396 ARG . 5361 1 28 397 LYS . 5361 1 29 398 TYR . 5361 1 30 399 GLY . 5361 1 31 400 GLU . 5361 1 32 401 GLY . 5361 1 33 402 ASN . 5361 1 34 403 TRP . 5361 1 35 404 SER . 5361 1 36 405 LYS . 5361 1 37 406 ILE . 5361 1 38 407 LEU . 5361 1 39 408 LEU . 5361 1 40 409 HIS . 5361 1 41 410 TYR . 5361 1 42 411 LYS . 5361 1 43 412 PHE . 5361 1 44 413 ASN . 5361 1 45 414 ASN . 5361 1 46 415 ARG . 5361 1 47 416 THR . 5361 1 48 417 SER . 5361 1 49 418 VAL . 5361 1 50 419 MET . 5361 1 51 420 LEU . 5361 1 52 421 LYS . 5361 1 53 422 ASP . 5361 1 54 423 ARG . 5361 1 55 424 TRP . 5361 1 56 425 ARG . 5361 1 57 426 THR . 5361 1 58 427 MET . 5361 1 59 428 LYS . 5361 1 60 429 LYS . 5361 1 61 430 LEU . 5361 1 62 431 LYS . 5361 1 63 432 LEU . 5361 1 64 433 ILE . 5361 1 65 434 SER . 5361 1 66 435 SER . 5361 1 67 436 ASP . 5361 1 68 437 SER . 5361 1 69 438 GLU . 5361 1 70 439 ASP . 5361 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5361 1 . THR 2 2 5361 1 . PRO 3 3 5361 1 . GLU 4 4 5361 1 . LYS 5 5 5361 1 . HIS 6 6 5361 1 . ARG 7 7 5361 1 . ALA 8 8 5361 1 . ARG 9 9 5361 1 . LYS 10 10 5361 1 . ARG 11 11 5361 1 . GLN 12 12 5361 1 . ALA 13 13 5361 1 . TRP 14 14 5361 1 . LEU 15 15 5361 1 . TRP 16 16 5361 1 . GLU 17 17 5361 1 . GLU 18 18 5361 1 . ASP 19 19 5361 1 . LYS 20 20 5361 1 . ASN 21 21 5361 1 . LEU 22 22 5361 1 . ARG 23 23 5361 1 . SER 24 24 5361 1 . GLY 25 25 5361 1 . VAL 26 26 5361 1 . ARG 27 27 5361 1 . LYS 28 28 5361 1 . TYR 29 29 5361 1 . GLY 30 30 5361 1 . GLU 31 31 5361 1 . GLY 32 32 5361 1 . ASN 33 33 5361 1 . TRP 34 34 5361 1 . SER 35 35 5361 1 . LYS 36 36 5361 1 . ILE 37 37 5361 1 . LEU 38 38 5361 1 . LEU 39 39 5361 1 . HIS 40 40 5361 1 . TYR 41 41 5361 1 . LYS 42 42 5361 1 . PHE 43 43 5361 1 . ASN 44 44 5361 1 . ASN 45 45 5361 1 . ARG 46 46 5361 1 . THR 47 47 5361 1 . SER 48 48 5361 1 . VAL 49 49 5361 1 . MET 50 50 5361 1 . LEU 51 51 5361 1 . LYS 52 52 5361 1 . ASP 53 53 5361 1 . ARG 54 54 5361 1 . TRP 55 55 5361 1 . ARG 56 56 5361 1 . THR 57 57 5361 1 . MET 58 58 5361 1 . LYS 59 59 5361 1 . LYS 60 60 5361 1 . LEU 61 61 5361 1 . LYS 62 62 5361 1 . LEU 63 63 5361 1 . ILE 64 64 5361 1 . SER 65 65 5361 1 . SER 66 66 5361 1 . ASP 67 67 5361 1 . SER 68 68 5361 1 . GLU 69 69 5361 1 . ASP 70 70 5361 1 stop_ save_ save_TRF1_DNA1 _Entity.Sf_category entity _Entity.Sf_framecode TRF1_DNA1 _Entity.Entry_ID 5361 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name none _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GTTAGGGTTAGGG _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 13 _Entity.Number_of_nonpolymer_components . _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 . _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 none common 5361 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 . DG . 5361 2 2 . DT . 5361 2 3 . DT . 5361 2 4 . DA . 5361 2 5 . DG . 5361 2 6 . DG . 5361 2 7 . DG . 5361 2 8 . DT . 5361 2 9 . DT . 5361 2 10 . DA . 5361 2 11 . DG . 5361 2 12 . DG . 5361 2 13 . DG . 5361 2 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 . DG 1 1 5361 2 . DT 2 2 5361 2 . DT 3 3 5361 2 . DA 4 4 5361 2 . DG 5 5 5361 2 . DG 6 6 5361 2 . DG 7 7 5361 2 . DT 8 8 5361 2 . DT 9 9 5361 2 . DA 10 10 5361 2 . DG 11 11 5361 2 . DG 12 12 5361 2 . DG 13 13 5361 2 stop_ save_ save_TRF1_DNA2 _Entity.Sf_category entity _Entity.Sf_framecode TRF1_DNA2 _Entity.Entry_ID 5361 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name none _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CCCTAACCCTAAC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID none common 5361 3 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 . DC . 5361 3 2 . DC . 5361 3 3 . DC . 5361 3 4 . DT . 5361 3 5 . DA . 5361 3 6 . DA . 5361 3 7 . DC . 5361 3 8 . DC . 5361 3 9 . DC . 5361 3 10 . DT . 5361 3 11 . DA . 5361 3 12 . DA . 5361 3 13 . DC . 5361 3 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 . DC 1 1 5361 3 . DC 2 2 5361 3 . DC 3 3 5361 3 . DT 4 4 5361 3 . DA 5 5 5361 3 . DA 6 6 5361 3 . DC 7 7 5361 3 . DC 8 8 5361 3 . DC 9 9 5361 3 . DT 10 10 5361 3 . DA 11 11 5361 3 . DA 12 12 5361 3 . DC 13 13 5361 3 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 5361 _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 $TRF1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5361 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 5361 _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 $TRF1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5361 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5361 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Telomeric repeat binding factor 1' '[U-15N; U-13C]' . . 1 $TRF1 . . . 1.5 2.5 mM . . . . 5361 1 2 none . . . 2 $TRF1_DNA1 . . . 1.5 2.5 mM . . . . 5361 1 3 none . . . 3 $TRF1_DNA2 . . . 1.5 2.5 mM . . . . 5361 1 4 'Phosphate buffer' . . . . . . . 5 . . mM . . . . 5361 1 5 NaCl . . . . . . . 10 . . mM . . . . 5361 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5361 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.05 n/a 5361 1 temperature 305 . K 5361 1 pressure 1 . atm 5361 1 stop_ save_ ############################ # Computer software used # ############################ save_EMBOSS _Software.Sf_category software _Software.Sf_framecode EMBOSS _Software.Entry_ID 5361 _Software.ID 1 _Software.Name EMBOSS _Software.Version 5.0 _Software.Details 'Nakai, T, Kidera, A, and Nakamura, H.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5361 1 'structure solution' 5361 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 5361 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 5361 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 5361 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5361 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 500 . . . 5361 1 2 spectrometer_2 Bruker DRX . 500 . . . 5361 1 3 spectrometer_3 Bruker DMX . 600 . . . 5361 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 5361 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5361 1 2 '3D HN(CO)CA' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5361 1 3 '3D CBCA(CO)NH' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5361 1 4 '3D C(CO)NH' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5361 1 5 '3D HBHA(CO)NH' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5361 1 6 '3D HCCH-TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5361 1 7 '3D HNHA' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5361 1 8 '3D HNHB' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5361 1 9 '3D 13C-NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5361 1 10 '3D 15N-NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5361 1 11 '2D NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5361 1 12 '2D TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5361 1 13 '2D COSY with or without isotope filtering' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 5361 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5361 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 1.0 internal direct 1.0000000 internal cylindrical parallel 1 $entry_citation . . 1 $entry_citation 5361 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.1013291 . . . 1 $entry_citation . . 1 $entry_citation 5361 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.2514495 . . . 1 $entry_citation . . 1 $entry_citation 5361 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5361 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5361 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 4 4 GLU N N 15 120.6 . . 1 . . . . . . . . 5361 1 2 . 1 1 4 4 GLU H H 1 8.47 . . 1 . . . . . . . . 5361 1 3 . 1 1 4 4 GLU C C 13 174.1 . . 1 . . . . . . . . 5361 1 4 . 1 1 4 4 GLU CA C 13 54.6 . . 1 . . . . . . . . 5361 1 5 . 1 1 4 4 GLU HA H 1 4.21 . . 1 . . . . . . . . 5361 1 6 . 1 1 4 4 GLU HB2 H 1 1.98 . . 2 . . . . . . . . 5361 1 7 . 1 1 4 4 GLU HB3 H 1 1.94 . . 2 . . . . . . . . 5361 1 8 . 1 1 4 4 GLU HG2 H 1 2.26 . . 1 . . . . . . . . 5361 1 9 . 1 1 4 4 GLU HG3 H 1 2.26 . . 1 . . . . . . . . 5361 1 10 . 1 1 5 5 LYS N N 15 121.8 . . 1 . . . . . . . . 5361 1 11 . 1 1 5 5 LYS H H 1 8.25 . . 1 . . . . . . . . 5361 1 12 . 1 1 5 5 LYS CA C 13 53.7 . . 1 . . . . . . . . 5361 1 13 . 1 1 5 5 LYS HA H 1 4.30 . . 1 . . . . . . . . 5361 1 14 . 1 1 5 5 LYS HB2 H 1 1.75 . . 2 . . . . . . . . 5361 1 15 . 1 1 5 5 LYS HG2 H 1 1.41 . . 1 . . . . . . . . 5361 1 16 . 1 1 5 5 LYS HG3 H 1 1.41 . . 1 . . . . . . . . 5361 1 17 . 1 1 6 6 HIS N N 15 120.1 . . 1 . . . . . . . . 5361 1 18 . 1 1 6 6 HIS H H 1 8.45 . . 1 . . . . . . . . 5361 1 19 . 1 1 6 6 HIS C C 13 172.5 . . 1 . . . . . . . . 5361 1 20 . 1 1 6 6 HIS CA C 13 53.3 . . 1 . . . . . . . . 5361 1 21 . 1 1 6 6 HIS HD1 H 1 7.17 . . 1 . . . . . . . . 5361 1 22 . 1 1 6 6 HIS HE1 H 1 8.28 . . 1 . . . . . . . . 5361 1 23 . 1 1 7 7 ARG N N 15 123.0 . . 1 . . . . . . . . 5361 1 24 . 1 1 7 7 ARG H H 1 8.49 . . 1 . . . . . . . . 5361 1 25 . 1 1 7 7 ARG C C 13 173.4 . . 1 . . . . . . . . 5361 1 26 . 1 1 7 7 ARG CA C 13 53.6 . . 1 . . . . . . . . 5361 1 27 . 1 1 7 7 ARG HA H 1 4.29 . . 1 . . . . . . . . 5361 1 28 . 1 1 7 7 ARG CB C 13 27.7 . . 1 . . . . . . . . 5361 1 29 . 1 1 7 7 ARG HB2 H 1 1.79 . . 2 . . . . . . . . 5361 1 30 . 1 1 7 7 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 5361 1 31 . 1 1 7 7 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 5361 1 32 . 1 1 8 8 ALA N N 15 125.8 . . 1 . . . . . . . . 5361 1 33 . 1 1 8 8 ALA H H 1 8.43 . . 1 . . . . . . . . 5361 1 34 . 1 1 8 8 ALA C C 13 175.2 . . 1 . . . . . . . . 5361 1 35 . 1 1 8 8 ALA CA C 13 50.2 . . 1 . . . . . . . . 5361 1 36 . 1 1 8 8 ALA HA H 1 4.28 . . 1 . . . . . . . . 5361 1 37 . 1 1 8 8 ALA CB C 13 16.2 . . 1 . . . . . . . . 5361 1 38 . 1 1 8 8 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 5361 1 39 . 1 1 8 8 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 5361 1 40 . 1 1 8 8 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 5361 1 41 . 1 1 9 9 ARG N N 15 120.5 . . 1 . . . . . . . . 5361 1 42 . 1 1 9 9 ARG H H 1 8.34 . . 1 . . . . . . . . 5361 1 43 . 1 1 9 9 ARG C C 13 173.3 . . 1 . . . . . . . . 5361 1 44 . 1 1 9 9 ARG CA C 13 53.4 . . 1 . . . . . . . . 5361 1 45 . 1 1 9 9 ARG HA H 1 4.28 . . 1 . . . . . . . . 5361 1 46 . 1 1 9 9 ARG CB C 13 28.1 . . 1 . . . . . . . . 5361 1 47 . 1 1 9 9 ARG HB2 H 1 1.78 . . 2 . . . . . . . . 5361 1 48 . 1 1 9 9 ARG HG2 H 1 1.65 . . 1 . . . . . . . . 5361 1 49 . 1 1 9 9 ARG HG3 H 1 1.65 . . 1 . . . . . . . . 5361 1 50 . 1 1 9 9 ARG HD2 H 1 3.15 . . 1 . . . . . . . . 5361 1 51 . 1 1 9 9 ARG HD3 H 1 3.15 . . 1 . . . . . . . . 5361 1 52 . 1 1 10 10 LYS N N 15 124.6 . . 1 . . . . . . . . 5361 1 53 . 1 1 10 10 LYS H H 1 8.31 . . 1 . . . . . . . . 5361 1 54 . 1 1 10 10 LYS C C 13 174.3 . . 1 . . . . . . . . 5361 1 55 . 1 1 10 10 LYS CA C 13 53.2 . . 1 . . . . . . . . 5361 1 56 . 1 1 10 10 LYS HA H 1 4.42 . . 1 . . . . . . . . 5361 1 57 . 1 1 10 10 LYS CB C 13 30.0 . . 1 . . . . . . . . 5361 1 58 . 1 1 10 10 LYS HB2 H 1 1.77 . . 2 . . . . . . . . 5361 1 59 . 1 1 10 10 LYS HG2 H 1 1.52 . . 1 . . . . . . . . 5361 1 60 . 1 1 10 10 LYS HG3 H 1 1.52 . . 1 . . . . . . . . 5361 1 61 . 1 1 10 10 LYS HE2 H 1 3.05 . . 1 . . . . . . . . 5361 1 62 . 1 1 10 10 LYS HE3 H 1 3.05 . . 1 . . . . . . . . 5361 1 63 . 1 1 11 11 ARG N N 15 124.4 . . 1 . . . . . . . . 5361 1 64 . 1 1 11 11 ARG H H 1 8.69 . . 1 . . . . . . . . 5361 1 65 . 1 1 11 11 ARG C C 13 173.5 . . 1 . . . . . . . . 5361 1 66 . 1 1 11 11 ARG CA C 13 54.6 . . 1 . . . . . . . . 5361 1 67 . 1 1 11 11 ARG HA H 1 4.38 . . 1 . . . . . . . . 5361 1 68 . 1 1 11 11 ARG CB C 13 28.9 . . 1 . . . . . . . . 5361 1 69 . 1 1 11 11 ARG HB2 H 1 1.9 . . 2 . . . . . . . . 5361 1 70 . 1 1 11 11 ARG HG2 H 1 1.71 . . 2 . . . . . . . . 5361 1 71 . 1 1 11 11 ARG HG3 H 1 1.51 . . 2 . . . . . . . . 5361 1 72 . 1 1 11 11 ARG HD2 H 1 3.40 . . 2 . . . . . . . . 5361 1 73 . 1 1 11 11 ARG HD3 H 1 3.29 . . 2 . . . . . . . . 5361 1 74 . 1 1 12 12 GLN N N 15 127.6 . . 1 . . . . . . . . 5361 1 75 . 1 1 12 12 GLN H H 1 9.92 . . 1 . . . . . . . . 5361 1 76 . 1 1 12 12 GLN C C 13 172.4 . . 1 . . . . . . . . 5361 1 77 . 1 1 12 12 GLN CA C 13 51.9 . . 1 . . . . . . . . 5361 1 78 . 1 1 12 12 GLN HA H 1 4.49 . . 1 . . . . . . . . 5361 1 79 . 1 1 12 12 GLN CB C 13 27.8 . . 1 . . . . . . . . 5361 1 80 . 1 1 12 12 GLN HB2 H 1 1.82 . . 2 . . . . . . . . 5361 1 81 . 1 1 12 12 GLN HB3 H 1 2.01 . . 2 . . . . . . . . 5361 1 82 . 1 1 12 12 GLN HG2 H 1 2.25 . . 2 . . . . . . . . 5361 1 83 . 1 1 12 12 GLN HG3 H 1 2.14 . . 2 . . . . . . . . 5361 1 84 . 1 1 13 13 ALA N N 15 128.2 . . 1 . . . . . . . . 5361 1 85 . 1 1 13 13 ALA H H 1 8.41 . . 1 . . . . . . . . 5361 1 86 . 1 1 13 13 ALA C C 13 175.9 . . 1 . . . . . . . . 5361 1 87 . 1 1 13 13 ALA CA C 13 50.6 . . 1 . . . . . . . . 5361 1 88 . 1 1 13 13 ALA HA H 1 4.35 . . 1 . . . . . . . . 5361 1 89 . 1 1 13 13 ALA CB C 13 15.5 . . 1 . . . . . . . . 5361 1 90 . 1 1 13 13 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 5361 1 91 . 1 1 13 13 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 5361 1 92 . 1 1 13 13 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 5361 1 93 . 1 1 14 14 TRP N N 15 123.8 . . 1 . . . . . . . . 5361 1 94 . 1 1 14 14 TRP H H 1 9.00 . . 1 . . . . . . . . 5361 1 95 . 1 1 14 14 TRP C C 13 175.4 . . 1 . . . . . . . . 5361 1 96 . 1 1 14 14 TRP CA C 13 56.3 . . 1 . . . . . . . . 5361 1 97 . 1 1 14 14 TRP HA H 1 4.14 . . 1 . . . . . . . . 5361 1 98 . 1 1 14 14 TRP CB C 13 24.5 . . 1 . . . . . . . . 5361 1 99 . 1 1 14 14 TRP HB2 H 1 3.03 . . 1 . . . . . . . . 5361 1 100 . 1 1 14 14 TRP HB3 H 1 3.46 . . 1 . . . . . . . . 5361 1 101 . 1 1 14 14 TRP HD1 H 1 7.61 . . 1 . . . . . . . . 5361 1 102 . 1 1 14 14 TRP HE1 H 1 9.69 128.1 . 1 . . . . . . . . 5361 1 103 . 1 1 14 14 TRP HE3 H 1 7.86 . . 1 . . . . . . . . 5361 1 104 . 1 1 14 14 TRP HZ2 H 1 7.17 . . 1 . . . . . . . . 5361 1 105 . 1 1 14 14 TRP HZ3 H 1 7.00 . . 1 . . . . . . . . 5361 1 106 . 1 1 14 14 TRP HH2 H 1 6.64 . . 1 . . . . . . . . 5361 1 107 . 1 1 15 15 LEU N N 15 127.0 . . 1 . . . . . . . . 5361 1 108 . 1 1 15 15 LEU H H 1 9.10 . . 1 . . . . . . . . 5361 1 109 . 1 1 15 15 LEU C C 13 176.5 . . 1 . . . . . . . . 5361 1 110 . 1 1 15 15 LEU CA C 13 51.4 . . 1 . . . . . . . . 5361 1 111 . 1 1 15 15 LEU HA H 1 4.75 . . 1 . . . . . . . . 5361 1 112 . 1 1 15 15 LEU CB C 13 40.8 . . 1 . . . . . . . . 5361 1 113 . 1 1 15 15 LEU HB2 H 1 1.84 . . 2 . . . . . . . . 5361 1 114 . 1 1 15 15 LEU HB3 H 1 1.96 . . 2 . . . . . . . . 5361 1 115 . 1 1 15 15 LEU HG H 1 1.84 . . 1 . . . . . . . . 5361 1 116 . 1 1 15 15 LEU HD11 H 1 0.96 . . 1 . . . . . . . . 5361 1 117 . 1 1 15 15 LEU HD12 H 1 0.96 . . 1 . . . . . . . . 5361 1 118 . 1 1 15 15 LEU HD13 H 1 0.96 . . 1 . . . . . . . . 5361 1 119 . 1 1 15 15 LEU HD21 H 1 0.96 . . 1 . . . . . . . . 5361 1 120 . 1 1 15 15 LEU HD22 H 1 0.96 . . 1 . . . . . . . . 5361 1 121 . 1 1 15 15 LEU HD23 H 1 0.96 . . 1 . . . . . . . . 5361 1 122 . 1 1 16 16 TRP N N 15 122.9 . . 1 . . . . . . . . 5361 1 123 . 1 1 16 16 TRP H H 1 8.88 . . 1 . . . . . . . . 5361 1 124 . 1 1 16 16 TRP C C 13 176.2 . . 1 . . . . . . . . 5361 1 125 . 1 1 16 16 TRP CA C 13 59.3 . . 1 . . . . . . . . 5361 1 126 . 1 1 16 16 TRP HA H 1 4.42 . . 1 . . . . . . . . 5361 1 127 . 1 1 16 16 TRP CB C 13 25.6 . . 1 . . . . . . . . 5361 1 128 . 1 1 16 16 TRP HB2 H 1 3.37 . . 2 . . . . . . . . 5361 1 129 . 1 1 16 16 TRP HB3 H 1 3.58 . . 2 . . . . . . . . 5361 1 130 . 1 1 16 16 TRP HD1 H 1 7.46 . . 1 . . . . . . . . 5361 1 131 . 1 1 16 16 TRP HE1 H 1 10.25 129.4 . 1 . . . . . . . . 5361 1 132 . 1 1 16 16 TRP HE3 H 1 7.63 . . 1 . . . . . . . . 5361 1 133 . 1 1 16 16 TRP HZ2 H 1 7.54 . . 1 . . . . . . . . 5361 1 134 . 1 1 16 16 TRP HZ3 H 1 7.19 . . 1 . . . . . . . . 5361 1 135 . 1 1 16 16 TRP HH2 H 1 7.26 . . 1 . . . . . . . . 5361 1 136 . 1 1 17 17 GLU N N 15 117.0 . . 1 . . . . . . . . 5361 1 137 . 1 1 17 17 GLU H H 1 8.72 . . 1 . . . . . . . . 5361 1 138 . 1 1 17 17 GLU C C 13 176.5 . . 1 . . . . . . . . 5361 1 139 . 1 1 17 17 GLU CA C 13 57.8 . . 1 . . . . . . . . 5361 1 140 . 1 1 17 17 GLU HA H 1 3.59 . . 1 . . . . . . . . 5361 1 141 . 1 1 17 17 GLU CB C 13 26.4 . . 1 . . . . . . . . 5361 1 142 . 1 1 17 17 GLU HB2 H 1 1.81 . . 2 . . . . . . . . 5361 1 143 . 1 1 17 17 GLU HG2 H 1 2.03 . . 2 . . . . . . . . 5361 1 144 . 1 1 17 17 GLU HG3 H 1 2.16 . . 2 . . . . . . . . 5361 1 145 . 1 1 18 18 GLU N N 15 117.0 . . 1 . . . . . . . . 5361 1 146 . 1 1 18 18 GLU H H 1 7.20 . . 1 . . . . . . . . 5361 1 147 . 1 1 18 18 GLU C C 13 176.2 . . 1 . . . . . . . . 5361 1 148 . 1 1 18 18 GLU CA C 13 58.0 . . 1 . . . . . . . . 5361 1 149 . 1 1 18 18 GLU HA H 1 4.11 . . 1 . . . . . . . . 5361 1 150 . 1 1 18 18 GLU CB C 13 29.0 . . 1 . . . . . . . . 5361 1 151 . 1 1 18 18 GLU HB2 H 1 2.77 . . 2 . . . . . . . . 5361 1 152 . 1 1 18 18 GLU HB3 H 1 3.04 . . 2 . . . . . . . . 5361 1 153 . 1 1 18 18 GLU HG2 H 1 2.18 . . 2 . . . . . . . . 5361 1 154 . 1 1 18 18 GLU HG3 H 1 2.55 . . 2 . . . . . . . . 5361 1 155 . 1 1 19 19 ASP N N 15 121.7 . . 1 . . . . . . . . 5361 1 156 . 1 1 19 19 ASP H H 1 8.17 . . 1 . . . . . . . . 5361 1 157 . 1 1 19 19 ASP C C 13 176.9 . . 1 . . . . . . . . 5361 1 158 . 1 1 19 19 ASP CA C 13 55.3 . . 1 . . . . . . . . 5361 1 159 . 1 1 19 19 ASP HA H 1 4.50 . . 1 . . . . . . . . 5361 1 160 . 1 1 19 19 ASP CB C 13 37.4 . . 1 . . . . . . . . 5361 1 161 . 1 1 19 19 ASP HB2 H 1 2.54 . . 1 . . . . . . . . 5361 1 162 . 1 1 19 19 ASP HB3 H 1 2.86 . . 1 . . . . . . . . 5361 1 163 . 1 1 20 20 LYS N N 15 119.6 . . 1 . . . . . . . . 5361 1 164 . 1 1 20 20 LYS H H 1 8.30 . . 1 . . . . . . . . 5361 1 165 . 1 1 20 20 LYS C C 13 176.9 . . 1 . . . . . . . . 5361 1 166 . 1 1 20 20 LYS CA C 13 57.3 . . 1 . . . . . . . . 5361 1 167 . 1 1 20 20 LYS HA H 1 3.83 . . 1 . . . . . . . . 5361 1 168 . 1 1 20 20 LYS CB C 13 28.8 . . 1 . . . . . . . . 5361 1 169 . 1 1 20 20 LYS HB2 H 1 1.40 . . 2 . . . . . . . . 5361 1 170 . 1 1 20 20 LYS HB3 H 1 1.62 . . 2 . . . . . . . . 5361 1 171 . 1 1 20 20 LYS HG2 H 1 1.25 . . 4 . . . . . . . . 5361 1 172 . 1 1 20 20 LYS HG3 H 1 1.25 . . 4 . . . . . . . . 5361 1 173 . 1 1 20 20 LYS HD2 H 1 1.33 . . 4 . . . . . . . . 5361 1 174 . 1 1 20 20 LYS HD3 H 1 1.33 . . 4 . . . . . . . . 5361 1 175 . 1 1 20 20 LYS HE2 H 1 2.93 . . 2 . . . . . . . . 5361 1 176 . 1 1 20 20 LYS HE3 H 1 2.90 . . 2 . . . . . . . . 5361 1 177 . 1 1 21 21 ASN N N 15 120.0 . . 1 . . . . . . . . 5361 1 178 . 1 1 21 21 ASN H H 1 7.79 . . 1 . . . . . . . . 5361 1 179 . 1 1 21 21 ASN C C 13 174.5 . . 1 . . . . . . . . 5361 1 180 . 1 1 21 21 ASN CA C 13 52.9 . . 1 . . . . . . . . 5361 1 181 . 1 1 21 21 ASN HA H 1 4.17 . . 1 . . . . . . . . 5361 1 182 . 1 1 21 21 ASN CB C 13 35.0 . . 1 . . . . . . . . 5361 1 183 . 1 1 21 21 ASN HB2 H 1 2.10 . . 2 . . . . . . . . 5361 1 184 . 1 1 21 21 ASN HB3 H 1 2.72 . . 2 . . . . . . . . 5361 1 185 . 1 1 22 22 LEU N N 15 123.1 . . 1 . . . . . . . . 5361 1 186 . 1 1 22 22 LEU H H 1 8.79 . . 1 . . . . . . . . 5361 1 187 . 1 1 22 22 LEU C C 13 175.6 . . 1 . . . . . . . . 5361 1 188 . 1 1 22 22 LEU CA C 13 56.7 . . 1 . . . . . . . . 5361 1 189 . 1 1 22 22 LEU HA H 1 4.21 . . 1 . . . . . . . . 5361 1 190 . 1 1 22 22 LEU CB C 13 40.0 . . 1 . . . . . . . . 5361 1 191 . 1 1 22 22 LEU HB2 H 1 2.02 . . 1 . . . . . . . . 5361 1 192 . 1 1 22 22 LEU HB3 H 1 2.35 . . 1 . . . . . . . . 5361 1 193 . 1 1 22 22 LEU HG H 1 1.98 . . 1 . . . . . . . . 5361 1 194 . 1 1 22 22 LEU HD11 H 1 1.11 . . 1 . . . . . . . . 5361 1 195 . 1 1 22 22 LEU HD12 H 1 1.11 . . 1 . . . . . . . . 5361 1 196 . 1 1 22 22 LEU HD13 H 1 1.11 . . 1 . . . . . . . . 5361 1 197 . 1 1 22 22 LEU HD21 H 1 1.05 . . 1 . . . . . . . . 5361 1 198 . 1 1 22 22 LEU HD22 H 1 1.05 . . 1 . . . . . . . . 5361 1 199 . 1 1 22 22 LEU HD23 H 1 1.05 . . 1 . . . . . . . . 5361 1 200 . 1 1 23 23 ARG N N 15 117.0 . . 1 . . . . . . . . 5361 1 201 . 1 1 23 23 ARG H H 1 8.60 . . 1 . . . . . . . . 5361 1 202 . 1 1 23 23 ARG C C 13 177.8 . . 1 . . . . . . . . 5361 1 203 . 1 1 23 23 ARG CA C 13 58.7 . . 1 . . . . . . . . 5361 1 204 . 1 1 23 23 ARG HA H 1 4.18 . . 1 . . . . . . . . 5361 1 205 . 1 1 23 23 ARG CB C 13 27.9 . . 1 . . . . . . . . 5361 1 206 . 1 1 23 23 ARG HB2 H 1 2.14 . . 2 . . . . . . . . 5361 1 207 . 1 1 23 23 ARG HB3 H 1 2.00 . . 2 . . . . . . . . 5361 1 208 . 1 1 23 23 ARG HG2 H 1 1.82 . . 1 . . . . . . . . 5361 1 209 . 1 1 23 23 ARG HG3 H 1 1.82 . . 1 . . . . . . . . 5361 1 210 . 1 1 23 23 ARG HD2 H 1 3.46 . . 2 . . . . . . . . 5361 1 211 . 1 1 23 23 ARG HD3 H 1 3.27 . . 2 . . . . . . . . 5361 1 212 . 1 1 24 24 SER N N 15 115.6 . . 1 . . . . . . . . 5361 1 213 . 1 1 24 24 SER H H 1 8.48 . . 1 . . . . . . . . 5361 1 214 . 1 1 24 24 SER C C 13 174.5 . . 1 . . . . . . . . 5361 1 215 . 1 1 24 24 SER CA C 13 59.8 . . 1 . . . . . . . . 5361 1 216 . 1 1 24 24 SER HA H 1 4.13 . . 1 . . . . . . . . 5361 1 217 . 1 1 24 24 SER CB C 13 60.6 . . 1 . . . . . . . . 5361 1 218 . 1 1 24 24 SER HB2 H 1 3.9 . . 1 . . . . . . . . 5361 1 219 . 1 1 24 24 SER HB3 H 1 3.9 . . 1 . . . . . . . . 5361 1 220 . 1 1 25 25 GLY N N 15 110.6 . . 1 . . . . . . . . 5361 1 221 . 1 1 25 25 GLY H H 1 8.58 . . 1 . . . . . . . . 5361 1 222 . 1 1 25 25 GLY C C 13 173.0 . . 1 . . . . . . . . 5361 1 223 . 1 1 25 25 GLY CA C 13 45.6 . . 1 . . . . . . . . 5361 1 224 . 1 1 25 25 GLY HA2 H 1 3.58 . . 2 . . . . . . . . 5361 1 225 . 1 1 25 25 GLY HA3 H 1 3.99 . . 2 . . . . . . . . 5361 1 226 . 1 1 26 26 VAL N N 15 124.2 . . 1 . . . . . . . . 5361 1 227 . 1 1 26 26 VAL H H 1 8.67 . . 1 . . . . . . . . 5361 1 228 . 1 1 26 26 VAL C C 13 177.0 . . 1 . . . . . . . . 5361 1 229 . 1 1 26 26 VAL CA C 13 64.9 . . 1 . . . . . . . . 5361 1 230 . 1 1 26 26 VAL HA H 1 3.08 . . 1 . . . . . . . . 5361 1 231 . 1 1 26 26 VAL HB H 1 1.55 . . 1 . . . . . . . . 5361 1 232 . 1 1 26 26 VAL HG11 H 1 0.49 . . 1 . . . . . . . . 5361 1 233 . 1 1 26 26 VAL HG12 H 1 0.49 . . 1 . . . . . . . . 5361 1 234 . 1 1 26 26 VAL HG13 H 1 0.49 . . 1 . . . . . . . . 5361 1 235 . 1 1 26 26 VAL HG21 H 1 -0.20 . . 1 . . . . . . . . 5361 1 236 . 1 1 26 26 VAL HG22 H 1 -0.20 . . 1 . . . . . . . . 5361 1 237 . 1 1 26 26 VAL HG23 H 1 -0.20 . . 1 . . . . . . . . 5361 1 238 . 1 1 27 27 ARG N N 15 119.8 . . 1 . . . . . . . . 5361 1 239 . 1 1 27 27 ARG H H 1 7.67 . . 1 . . . . . . . . 5361 1 240 . 1 1 27 27 ARG C C 13 175.2 . . 1 . . . . . . . . 5361 1 241 . 1 1 27 27 ARG CA C 13 57.2 . . 1 . . . . . . . . 5361 1 242 . 1 1 27 27 ARG HA H 1 3.95 . . 1 . . . . . . . . 5361 1 243 . 1 1 27 27 ARG CB C 13 26.6 . . 1 . . . . . . . . 5361 1 244 . 1 1 27 27 ARG HB2 H 1 1.96 . . 2 . . . . . . . . 5361 1 245 . 1 1 27 27 ARG HG2 H 1 1.83 . . 2 . . . . . . . . 5361 1 246 . 1 1 27 27 ARG HG3 H 1 1.67 . . 2 . . . . . . . . 5361 1 247 . 1 1 27 27 ARG HD2 H 1 3.25 . . 2 . . . . . . . . 5361 1 248 . 1 1 27 27 ARG HD3 H 1 3.35 . . 2 . . . . . . . . 5361 1 249 . 1 1 28 28 LYS N N 15 117.0 . . 1 . . . . . . . . 5361 1 250 . 1 1 28 28 LYS H H 1 7.69 . . 1 . . . . . . . . 5361 1 251 . 1 1 28 28 LYS C C 13 175.5 . . 1 . . . . . . . . 5361 1 252 . 1 1 28 28 LYS CA C 13 56.5 . . 1 . . . . . . . . 5361 1 253 . 1 1 28 28 LYS HA H 1 3.94 . . 1 . . . . . . . . 5361 1 254 . 1 1 28 28 LYS CB C 13 30.7 . . 1 . . . . . . . . 5361 1 255 . 1 1 28 28 LYS HB2 H 1 1.39 . . 2 . . . . . . . . 5361 1 256 . 1 1 28 28 LYS HB3 H 1 1.58 . . 2 . . . . . . . . 5361 1 257 . 1 1 28 28 LYS HG2 H 1 0.76 . . 2 . . . . . . . . 5361 1 258 . 1 1 28 28 LYS HG3 H 1 0.38 . . 2 . . . . . . . . 5361 1 259 . 1 1 28 28 LYS HD2 H 1 1.37 . . 1 . . . . . . . . 5361 1 260 . 1 1 28 28 LYS HD3 H 1 1.37 . . 1 . . . . . . . . 5361 1 261 . 1 1 28 28 LYS HE2 H 1 2.72 . . 1 . . . . . . . . 5361 1 262 . 1 1 28 28 LYS HE3 H 1 2.72 . . 1 . . . . . . . . 5361 1 263 . 1 1 29 29 TYR N N 15 114.1 . . 1 . . . . . . . . 5361 1 264 . 1 1 29 29 TYR H H 1 8.83 . . 1 . . . . . . . . 5361 1 265 . 1 1 29 29 TYR C C 13 174.2 . . 1 . . . . . . . . 5361 1 266 . 1 1 29 29 TYR CA C 13 56.7 . . 1 . . . . . . . . 5361 1 267 . 1 1 29 29 TYR HA H 1 4.55 . . 1 . . . . . . . . 5361 1 268 . 1 1 29 29 TYR CB C 13 36.6 . . 1 . . . . . . . . 5361 1 269 . 1 1 29 29 TYR HB2 H 1 2.66 . . 2 . . . . . . . . 5361 1 270 . 1 1 29 29 TYR HB3 H 1 3.08 . . 2 . . . . . . . . 5361 1 271 . 1 1 29 29 TYR HD1 H 1 7.22 . . 1 . . . . . . . . 5361 1 272 . 1 1 29 29 TYR HD2 H 1 7.22 . . 1 . . . . . . . . 5361 1 273 . 1 1 29 29 TYR HE1 H 1 6.66 . . 1 . . . . . . . . 5361 1 274 . 1 1 29 29 TYR HE2 H 1 6.66 . . 1 . . . . . . . . 5361 1 275 . 1 1 30 30 GLY N N 15 110.6 . . 1 . . . . . . . . 5361 1 276 . 1 1 30 30 GLY H H 1 7.88 . . 1 . . . . . . . . 5361 1 277 . 1 1 30 30 GLY C C 13 170.7 . . 1 . . . . . . . . 5361 1 278 . 1 1 30 30 GLY CA C 13 41.6 . . 1 . . . . . . . . 5361 1 279 . 1 1 30 30 GLY HA2 H 1 3.69 . . 2 . . . . . . . . 5361 1 280 . 1 1 30 30 GLY HA3 H 1 4.27 . . 2 . . . . . . . . 5361 1 281 . 1 1 31 31 GLU N N 15 121.1 . . 1 . . . . . . . . 5361 1 282 . 1 1 31 31 GLU H H 1 8.36 . . 1 . . . . . . . . 5361 1 283 . 1 1 31 31 GLU C C 13 173.8 . . 1 . . . . . . . . 5361 1 284 . 1 1 31 31 GLU CA C 13 55.7 . . 1 . . . . . . . . 5361 1 285 . 1 1 31 31 GLU HA H 1 2.90 . . 1 . . . . . . . . 5361 1 286 . 1 1 31 31 GLU HB2 H 1 1.83 . . 2 . . . . . . . . 5361 1 287 . 1 1 31 31 GLU HB3 H 1 1.95 . . 2 . . . . . . . . 5361 1 288 . 1 1 31 31 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 5361 1 289 . 1 1 31 31 GLU HG3 H 1 2.22 . . 1 . . . . . . . . 5361 1 290 . 1 1 32 32 GLY N N 15 109.8 . . 1 . . . . . . . . 5361 1 291 . 1 1 32 32 GLY H H 1 4.83 . . 1 . . . . . . . . 5361 1 292 . 1 1 32 32 GLY C C 13 170.3 . . 1 . . . . . . . . 5361 1 293 . 1 1 32 32 GLY CA C 13 42.9 . . 1 . . . . . . . . 5361 1 294 . 1 1 32 32 GLY HA2 H 1 3.35 . . 2 . . . . . . . . 5361 1 295 . 1 1 32 32 GLY HA3 H 1 4.11 . . 2 . . . . . . . . 5361 1 296 . 1 1 33 33 ASN N N 15 119.6 . . 1 . . . . . . . . 5361 1 297 . 1 1 33 33 ASN H H 1 6.57 . . 1 . . . . . . . . 5361 1 298 . 1 1 33 33 ASN C C 13 173.2 . . 1 . . . . . . . . 5361 1 299 . 1 1 33 33 ASN CA C 13 48.7 . . 1 . . . . . . . . 5361 1 300 . 1 1 33 33 ASN HA H 1 5.05 . . 1 . . . . . . . . 5361 1 301 . 1 1 33 33 ASN CB C 13 34.3 . . 1 . . . . . . . . 5361 1 302 . 1 1 33 33 ASN HB2 H 1 2.55 . . 2 . . . . . . . . 5361 1 303 . 1 1 33 33 ASN HB3 H 1 2.18 . . 2 . . . . . . . . 5361 1 304 . 1 1 34 34 TRP N N 15 119.8 . . 1 . . . . . . . . 5361 1 305 . 1 1 34 34 TRP H H 1 6.56 . . 1 . . . . . . . . 5361 1 306 . 1 1 34 34 TRP C C 13 176.4 . . 1 . . . . . . . . 5361 1 307 . 1 1 34 34 TRP CA C 13 56.1 . . 1 . . . . . . . . 5361 1 308 . 1 1 34 34 TRP HA H 1 4.21 . . 1 . . . . . . . . 5361 1 309 . 1 1 34 34 TRP CB C 13 27.7 . . 1 . . . . . . . . 5361 1 310 . 1 1 34 34 TRP HB2 H 1 3.37 . . 1 . . . . . . . . 5361 1 311 . 1 1 34 34 TRP HB3 H 1 3.61 . . 1 . . . . . . . . 5361 1 312 . 1 1 34 34 TRP HD1 H 1 7.50 . . 1 . . . . . . . . 5361 1 313 . 1 1 34 34 TRP HE1 H 1 12.14 . . 1 . . . . . . . . 5361 1 314 . 1 1 34 34 TRP HE3 H 1 7.14 . . 1 . . . . . . . . 5361 1 315 . 1 1 34 34 TRP HZ2 H 1 7.83 . . 1 . . . . . . . . 5361 1 316 . 1 1 34 34 TRP HZ3 H 1 6.28 . . 1 . . . . . . . . 5361 1 317 . 1 1 34 34 TRP HH2 H 1 7.83 . . 1 . . . . . . . . 5361 1 318 . 1 1 35 35 SER N N 15 115.1 . . 1 . . . . . . . . 5361 1 319 . 1 1 35 35 SER H H 1 10.07 . . 1 . . . . . . . . 5361 1 320 . 1 1 35 35 SER C C 13 174.4 . . 1 . . . . . . . . 5361 1 321 . 1 1 35 35 SER CA C 13 60.2 . . 1 . . . . . . . . 5361 1 322 . 1 1 35 35 SER HA H 1 4.04 . . 1 . . . . . . . . 5361 1 323 . 1 1 35 35 SER HB2 H 1 4.14 . . 2 . . . . . . . . 5361 1 324 . 1 1 35 35 SER HB3 H 1 4.25 . . 2 . . . . . . . . 5361 1 325 . 1 1 36 36 LYS N N 15 121.0 . . 1 . . . . . . . . 5361 1 326 . 1 1 36 36 LYS H H 1 7.35 . . 1 . . . . . . . . 5361 1 327 . 1 1 36 36 LYS C C 13 176.4 . . 1 . . . . . . . . 5361 1 328 . 1 1 36 36 LYS CA C 13 56.8 . . 1 . . . . . . . . 5361 1 329 . 1 1 36 36 LYS HA H 1 3.93 . . 1 . . . . . . . . 5361 1 330 . 1 1 36 36 LYS CB C 13 29.1 . . 1 . . . . . . . . 5361 1 331 . 1 1 36 36 LYS HB2 H 1 1.19 . . 2 . . . . . . . . 5361 1 332 . 1 1 36 36 LYS HB3 H 1 1.52 . . 2 . . . . . . . . 5361 1 333 . 1 1 36 36 LYS HG2 H 1 1.05 . . 1 . . . . . . . . 5361 1 334 . 1 1 36 36 LYS HG3 H 1 1.05 . . 1 . . . . . . . . 5361 1 335 . 1 1 36 36 LYS HE2 H 1 2.82 . . 1 . . . . . . . . 5361 1 336 . 1 1 36 36 LYS HE3 H 1 2.82 . . 1 . . . . . . . . 5361 1 337 . 1 1 37 37 ILE N N 15 120.0 . . 1 . . . . . . . . 5361 1 338 . 1 1 37 37 ILE H H 1 7.55 . . 1 . . . . . . . . 5361 1 339 . 1 1 37 37 ILE C C 13 175.6 . . 1 . . . . . . . . 5361 1 340 . 1 1 37 37 ILE CA C 13 64.8 . . 1 . . . . . . . . 5361 1 341 . 1 1 37 37 ILE HA H 1 3.68 . . 1 . . . . . . . . 5361 1 342 . 1 1 37 37 ILE HB H 1 2.05 . . 1 . . . . . . . . 5361 1 343 . 1 1 37 37 ILE HG12 H 1 1.93 . . 1 . . . . . . . . 5361 1 344 . 1 1 37 37 ILE HG21 H 1 1.26 . . 1 . . . . . . . . 5361 1 345 . 1 1 37 37 ILE HG22 H 1 1.26 . . 1 . . . . . . . . 5361 1 346 . 1 1 37 37 ILE HG23 H 1 1.26 . . 1 . . . . . . . . 5361 1 347 . 1 1 37 37 ILE HD11 H 1 0.63 . . 1 . . . . . . . . 5361 1 348 . 1 1 37 37 ILE HD12 H 1 0.63 . . 1 . . . . . . . . 5361 1 349 . 1 1 37 37 ILE HD13 H 1 0.63 . . 1 . . . . . . . . 5361 1 350 . 1 1 38 38 LEU N N 15 119.0 . . 1 . . . . . . . . 5361 1 351 . 1 1 38 38 LEU H H 1 8.20 . . 1 . . . . . . . . 5361 1 352 . 1 1 38 38 LEU C C 13 174.9 . . 1 . . . . . . . . 5361 1 353 . 1 1 38 38 LEU CA C 13 55.3 . . 1 . . . . . . . . 5361 1 354 . 1 1 38 38 LEU HA H 1 4.28 . . 1 . . . . . . . . 5361 1 355 . 1 1 38 38 LEU CB C 13 40.3 . . 1 . . . . . . . . 5361 1 356 . 1 1 38 38 LEU HB2 H 1 1.48 . . 2 . . . . . . . . 5361 1 357 . 1 1 38 38 LEU HB3 H 1 1.99 . . 2 . . . . . . . . 5361 1 358 . 1 1 38 38 LEU HG H 1 1.76 . . 1 . . . . . . . . 5361 1 359 . 1 1 38 38 LEU HD11 H 1 0.95 . . 2 . . . . . . . . 5361 1 360 . 1 1 38 38 LEU HD12 H 1 0.95 . . 2 . . . . . . . . 5361 1 361 . 1 1 38 38 LEU HD13 H 1 0.95 . . 2 . . . . . . . . 5361 1 362 . 1 1 38 38 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 5361 1 363 . 1 1 38 38 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 5361 1 364 . 1 1 38 38 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 5361 1 365 . 1 1 39 39 LEU N N 15 113.2 . . 1 . . . . . . . . 5361 1 366 . 1 1 39 39 LEU H H 1 7.21 . . 1 . . . . . . . . 5361 1 367 . 1 1 39 39 LEU C C 13 176.5 . . 1 . . . . . . . . 5361 1 368 . 1 1 39 39 LEU CA C 13 54.0 . . 1 . . . . . . . . 5361 1 369 . 1 1 39 39 LEU HA H 1 4.15 . . 1 . . . . . . . . 5361 1 370 . 1 1 39 39 LEU CB C 13 40.1 . . 1 . . . . . . . . 5361 1 371 . 1 1 39 39 LEU HB2 H 1 1.37 . . 2 . . . . . . . . 5361 1 372 . 1 1 39 39 LEU HB3 H 1 1.60 . . 2 . . . . . . . . 5361 1 373 . 1 1 39 39 LEU HG H 1 1.57 . . 1 . . . . . . . . 5361 1 374 . 1 1 39 39 LEU HD11 H 1 0.84 . . 2 . . . . . . . . 5361 1 375 . 1 1 39 39 LEU HD12 H 1 0.84 . . 2 . . . . . . . . 5361 1 376 . 1 1 39 39 LEU HD13 H 1 0.84 . . 2 . . . . . . . . 5361 1 377 . 1 1 39 39 LEU HD21 H 1 0.79 . . 2 . . . . . . . . 5361 1 378 . 1 1 39 39 LEU HD22 H 1 0.79 . . 2 . . . . . . . . 5361 1 379 . 1 1 39 39 LEU HD23 H 1 0.79 . . 2 . . . . . . . . 5361 1 380 . 1 1 40 40 HIS N N 15 114.7 . . 1 . . . . . . . . 5361 1 381 . 1 1 40 40 HIS H H 1 7.61 . . 1 . . . . . . . . 5361 1 382 . 1 1 40 40 HIS C C 13 171.6 . . 1 . . . . . . . . 5361 1 383 . 1 1 40 40 HIS CA C 13 55.6 . . 1 . . . . . . . . 5361 1 384 . 1 1 40 40 HIS HA H 1 4.46 . . 1 . . . . . . . . 5361 1 385 . 1 1 40 40 HIS CB C 13 29.2 . . 1 . . . . . . . . 5361 1 386 . 1 1 40 40 HIS HB2 H 1 2.82 . . 2 . . . . . . . . 5361 1 387 . 1 1 40 40 HIS HB3 H 1 3.15 . . 2 . . . . . . . . 5361 1 388 . 1 1 40 40 HIS HD1 H 1 6.73 . . 1 . . . . . . . . 5361 1 389 . 1 1 40 40 HIS HE1 H 1 8.00 . . 1 . . . . . . . . 5361 1 390 . 1 1 41 41 TYR N N 15 117.5 . . 1 . . . . . . . . 5361 1 391 . 1 1 41 41 TYR H H 1 7.96 . . 1 . . . . . . . . 5361 1 392 . 1 1 41 41 TYR C C 13 171.1 . . 1 . . . . . . . . 5361 1 393 . 1 1 41 41 TYR CA C 13 54.6 . . 1 . . . . . . . . 5361 1 394 . 1 1 41 41 TYR HA H 1 4.62 . . 1 . . . . . . . . 5361 1 395 . 1 1 41 41 TYR CB C 13 39.1 . . 1 . . . . . . . . 5361 1 396 . 1 1 41 41 TYR HB2 H 1 2.53 . . 2 . . . . . . . . 5361 1 397 . 1 1 41 41 TYR HB3 H 1 2.88 . . 2 . . . . . . . . 5361 1 398 . 1 1 41 41 TYR HD1 H 1 7.50 . . 1 . . . . . . . . 5361 1 399 . 1 1 41 41 TYR HD2 H 1 7.50 . . 1 . . . . . . . . 5361 1 400 . 1 1 41 41 TYR HE1 H 1 6.84 . . 1 . . . . . . . . 5361 1 401 . 1 1 41 41 TYR HE2 H 1 6.84 . . 1 . . . . . . . . 5361 1 402 . 1 1 42 42 LYS N N 15 119.2 . . 1 . . . . . . . . 5361 1 403 . 1 1 42 42 LYS H H 1 7.86 . . 1 . . . . . . . . 5361 1 404 . 1 1 42 42 LYS C C 13 173.3 . . 1 . . . . . . . . 5361 1 405 . 1 1 42 42 LYS CA C 13 54.0 . . 1 . . . . . . . . 5361 1 406 . 1 1 42 42 LYS HA H 1 4.41 . . 1 . . . . . . . . 5361 1 407 . 1 1 42 42 LYS CB C 13 30.1 . . 1 . . . . . . . . 5361 1 408 . 1 1 42 42 LYS HB2 H 1 1.61 . . 2 . . . . . . . . 5361 1 409 . 1 1 42 42 LYS HG2 H 1 1.40 . . 2 . . . . . . . . 5361 1 410 . 1 1 42 42 LYS HG3 H 1 1.26 . . 2 . . . . . . . . 5361 1 411 . 1 1 42 42 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 5361 1 412 . 1 1 42 42 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 5361 1 413 . 1 1 43 43 PHE N N 15 122.9 . . 1 . . . . . . . . 5361 1 414 . 1 1 43 43 PHE H H 1 8.51 . . 1 . . . . . . . . 5361 1 415 . 1 1 43 43 PHE C C 13 172.3 . . 1 . . . . . . . . 5361 1 416 . 1 1 43 43 PHE CA C 13 54.8 . . 1 . . . . . . . . 5361 1 417 . 1 1 43 43 PHE HA H 1 4.67 . . 1 . . . . . . . . 5361 1 418 . 1 1 43 43 PHE CB C 13 39.3 . . 1 . . . . . . . . 5361 1 419 . 1 1 43 43 PHE HB2 H 1 2.87 . . 1 . . . . . . . . 5361 1 420 . 1 1 43 43 PHE HB3 H 1 3.15 . . 1 . . . . . . . . 5361 1 421 . 1 1 43 43 PHE HD1 H 1 7.51 . . 1 . . . . . . . . 5361 1 422 . 1 1 43 43 PHE HD2 H 1 7.51 . . 1 . . . . . . . . 5361 1 423 . 1 1 43 43 PHE HE1 H 1 7.73 . . 1 . . . . . . . . 5361 1 424 . 1 1 43 43 PHE HE2 H 1 7.73 . . 1 . . . . . . . . 5361 1 425 . 1 1 43 43 PHE HZ H 1 6.75 . . 1 . . . . . . . . 5361 1 426 . 1 1 44 44 ASN N N 15 121.6 . . 1 . . . . . . . . 5361 1 427 . 1 1 44 44 ASN H H 1 9.43 . . 1 . . . . . . . . 5361 1 428 . 1 1 44 44 ASN C C 13 171.3 . . 1 . . . . . . . . 5361 1 429 . 1 1 44 44 ASN CA C 13 49.4 . . 1 . . . . . . . . 5361 1 430 . 1 1 44 44 ASN HA H 1 4.79 . . 1 . . . . . . . . 5361 1 431 . 1 1 44 44 ASN CB C 13 34.1 . . 1 . . . . . . . . 5361 1 432 . 1 1 44 44 ASN HB2 H 1 2.58 . . 2 . . . . . . . . 5361 1 433 . 1 1 44 44 ASN HB3 H 1 2.75 . . 2 . . . . . . . . 5361 1 434 . 1 1 45 45 ASN N N 15 120.1 . . 1 . . . . . . . . 5361 1 435 . 1 1 45 45 ASN H H 1 8.36 . . 1 . . . . . . . . 5361 1 436 . 1 1 45 45 ASN C C 13 172.1 . . 1 . . . . . . . . 5361 1 437 . 1 1 45 45 ASN CA C 13 51.7 . . 1 . . . . . . . . 5361 1 438 . 1 1 45 45 ASN HA H 1 4.32 . . 1 . . . . . . . . 5361 1 439 . 1 1 45 45 ASN CB C 13 34.3 . . 1 . . . . . . . . 5361 1 440 . 1 1 45 45 ASN HB2 H 1 2.67 . . 2 . . . . . . . . 5361 1 441 . 1 1 45 45 ASN HB3 H 1 2.97 . . 2 . . . . . . . . 5361 1 442 . 1 1 46 46 ARG N N 15 114.0 . . 1 . . . . . . . . 5361 1 443 . 1 1 46 46 ARG H H 1 7.93 . . 1 . . . . . . . . 5361 1 444 . 1 1 46 46 ARG C C 13 173.7 . . 1 . . . . . . . . 5361 1 445 . 1 1 46 46 ARG CA C 13 49.9 . . 1 . . . . . . . . 5361 1 446 . 1 1 46 46 ARG HA H 1 5.12 . . 1 . . . . . . . . 5361 1 447 . 1 1 46 46 ARG CB C 13 29.4 . . 1 . . . . . . . . 5361 1 448 . 1 1 46 46 ARG HB2 H 1 1.5 . . 1 . . . . . . . . 5361 1 449 . 1 1 46 46 ARG HB3 H 1 1.75 . . 1 . . . . . . . . 5361 1 450 . 1 1 46 46 ARG HG2 H 1 2.13 . . 1 . . . . . . . . 5361 1 451 . 1 1 46 46 ARG HG3 H 1 2.13 . . 1 . . . . . . . . 5361 1 452 . 1 1 46 46 ARG HD2 H 1 2.46 . . 2 . . . . . . . . 5361 1 453 . 1 1 46 46 ARG HD3 H 1 2.77 . . 2 . . . . . . . . 5361 1 454 . 1 1 47 47 THR N N 15 109.2 . . 1 . . . . . . . . 5361 1 455 . 1 1 47 47 THR H H 1 7.20 . . 1 . . . . . . . . 5361 1 456 . 1 1 47 47 THR C C 13 173.9 . . 1 . . . . . . . . 5361 1 457 . 1 1 47 47 THR CA C 13 57.3 . . 1 . . . . . . . . 5361 1 458 . 1 1 47 47 THR HA H 1 4.75 . . 1 . . . . . . . . 5361 1 459 . 1 1 47 47 THR CB C 13 70.0 . . 1 . . . . . . . . 5361 1 460 . 1 1 47 47 THR HB H 1 4.75 . . 1 . . . . . . . . 5361 1 461 . 1 1 47 47 THR HG21 H 1 1.35 . . 1 . . . . . . . . 5361 1 462 . 1 1 47 47 THR HG22 H 1 1.35 . . 1 . . . . . . . . 5361 1 463 . 1 1 47 47 THR HG23 H 1 1.35 . . 1 . . . . . . . . 5361 1 464 . 1 1 48 48 SER N N 15 116.6 . . 1 . . . . . . . . 5361 1 465 . 1 1 48 48 SER H H 1 9.56 . . 1 . . . . . . . . 5361 1 466 . 1 1 48 48 SER C C 13 174.2 . . 1 . . . . . . . . 5361 1 467 . 1 1 48 48 SER CA C 13 60.0 . . 1 . . . . . . . . 5361 1 468 . 1 1 48 48 SER HA H 1 3.89 . . 1 . . . . . . . . 5361 1 469 . 1 1 48 48 SER CB C 13 59.3 . . 1 . . . . . . . . 5361 1 470 . 1 1 48 48 SER HB2 H 1 4.14 . . 2 . . . . . . . . 5361 1 471 . 1 1 49 49 VAL N N 15 123.5 . . 1 . . . . . . . . 5361 1 472 . 1 1 49 49 VAL H H 1 7.15 . . 1 . . . . . . . . 5361 1 473 . 1 1 49 49 VAL C C 13 174.7 . . 1 . . . . . . . . 5361 1 474 . 1 1 49 49 VAL CA C 13 63.3 . . 1 . . . . . . . . 5361 1 475 . 1 1 49 49 VAL HA H 1 3.59 . . 1 . . . . . . . . 5361 1 476 . 1 1 49 49 VAL CB C 13 29.4 . . 1 . . . . . . . . 5361 1 477 . 1 1 49 49 VAL HB H 1 1.77 . . 1 . . . . . . . . 5361 1 478 . 1 1 49 49 VAL HG11 H 1 1.04 . . 1 . . . . . . . . 5361 1 479 . 1 1 49 49 VAL HG12 H 1 1.04 . . 1 . . . . . . . . 5361 1 480 . 1 1 49 49 VAL HG13 H 1 1.04 . . 1 . . . . . . . . 5361 1 481 . 1 1 49 49 VAL HG21 H 1 0.80 . . 1 . . . . . . . . 5361 1 482 . 1 1 49 49 VAL HG22 H 1 0.80 . . 1 . . . . . . . . 5361 1 483 . 1 1 49 49 VAL HG23 H 1 0.80 . . 1 . . . . . . . . 5361 1 484 . 1 1 50 50 MET N N 15 117.7 . . 1 . . . . . . . . 5361 1 485 . 1 1 50 50 MET H H 1 7.22 . . 1 . . . . . . . . 5361 1 486 . 1 1 50 50 MET C C 13 176.5 . . 1 . . . . . . . . 5361 1 487 . 1 1 50 50 MET CA C 13 56.9 . . 1 . . . . . . . . 5361 1 488 . 1 1 50 50 MET HA H 1 4.42 . . 1 . . . . . . . . 5361 1 489 . 1 1 50 50 MET CB C 13 30.1 . . 1 . . . . . . . . 5361 1 490 . 1 1 50 50 MET HB2 H 1 2.55 . . 2 . . . . . . . . 5361 1 491 . 1 1 50 50 MET HB3 H 1 2.33 . . 2 . . . . . . . . 5361 1 492 . 1 1 50 50 MET HG2 H 1 3.12 . . 2 . . . . . . . . 5361 1 493 . 1 1 50 50 MET HG3 H 1 2.96 . . 2 . . . . . . . . 5361 1 494 . 1 1 50 50 MET HE1 H 1 2.42 . . 1 . . . . . . . . 5361 1 495 . 1 1 50 50 MET HE2 H 1 2.42 . . 1 . . . . . . . . 5361 1 496 . 1 1 50 50 MET HE3 H 1 2.42 . . 1 . . . . . . . . 5361 1 497 . 1 1 51 51 LEU N N 15 117.7 . . 1 . . . . . . . . 5361 1 498 . 1 1 51 51 LEU H H 1 7.37 . . 1 . . . . . . . . 5361 1 499 . 1 1 51 51 LEU C C 13 174.1 . . 1 . . . . . . . . 5361 1 500 . 1 1 51 51 LEU CA C 13 56.8 . . 1 . . . . . . . . 5361 1 501 . 1 1 51 51 LEU HA H 1 3.72 . . 1 . . . . . . . . 5361 1 502 . 1 1 51 51 LEU CB C 13 39.1 . . 1 . . . . . . . . 5361 1 503 . 1 1 51 51 LEU HB2 H 1 1.45 . . 1 . . . . . . . . 5361 1 504 . 1 1 51 51 LEU HB3 H 1 1.82 . . 1 . . . . . . . . 5361 1 505 . 1 1 51 51 LEU HG H 1 1.63 . . 1 . . . . . . . . 5361 1 506 . 1 1 51 51 LEU HD11 H 1 0.62 . . 1 . . . . . . . . 5361 1 507 . 1 1 51 51 LEU HD12 H 1 0.62 . . 1 . . . . . . . . 5361 1 508 . 1 1 51 51 LEU HD13 H 1 0.62 . . 1 . . . . . . . . 5361 1 509 . 1 1 51 51 LEU HD21 H 1 0.32 . . 1 . . . . . . . . 5361 1 510 . 1 1 51 51 LEU HD22 H 1 0.32 . . 1 . . . . . . . . 5361 1 511 . 1 1 51 51 LEU HD23 H 1 0.32 . . 1 . . . . . . . . 5361 1 512 . 1 1 52 52 LYS N N 15 120.2 . . 1 . . . . . . . . 5361 1 513 . 1 1 52 52 LYS H H 1 6.42 . . 1 . . . . . . . . 5361 1 514 . 1 1 52 52 LYS C C 13 177.3 . . 1 . . . . . . . . 5361 1 515 . 1 1 52 52 LYS CA C 13 56.5 . . 1 . . . . . . . . 5361 1 516 . 1 1 52 52 LYS HA H 1 1.70 . . 1 . . . . . . . . 5361 1 517 . 1 1 52 52 LYS HB2 H 1 0.22 . . 2 . . . . . . . . 5361 1 518 . 1 1 52 52 LYS HB3 H 1 1.71 . . 2 . . . . . . . . 5361 1 519 . 1 1 52 52 LYS HG2 H 1 0.81 . . 2 . . . . . . . . 5361 1 520 . 1 1 52 52 LYS HG3 H 1 1.45 . . 2 . . . . . . . . 5361 1 521 . 1 1 53 53 ASP N N 15 119.1 . . 1 . . . . . . . . 5361 1 522 . 1 1 53 53 ASP H H 1 8.28 . . 1 . . . . . . . . 5361 1 523 . 1 1 53 53 ASP C C 13 177.2 . . 1 . . . . . . . . 5361 1 524 . 1 1 53 53 ASP CA C 13 55.5 . . 1 . . . . . . . . 5361 1 525 . 1 1 53 53 ASP HA H 1 4.46 . . 1 . . . . . . . . 5361 1 526 . 1 1 53 53 ASP CB C 13 38.7 . . 1 . . . . . . . . 5361 1 527 . 1 1 53 53 ASP HB2 H 1 2.46 . . 2 . . . . . . . . 5361 1 528 . 1 1 53 53 ASP HB3 H 1 2.32 . . 2 . . . . . . . . 5361 1 529 . 1 1 54 54 ARG N N 15 123.4 . . 1 . . . . . . . . 5361 1 530 . 1 1 54 54 ARG H H 1 8.18 . . 1 . . . . . . . . 5361 1 531 . 1 1 54 54 ARG C C 13 175.5 . . 1 . . . . . . . . 5361 1 532 . 1 1 54 54 ARG CA C 13 54.5 . . 1 . . . . . . . . 5361 1 533 . 1 1 54 54 ARG HA H 1 3.91 . . 1 . . . . . . . . 5361 1 534 . 1 1 54 54 ARG CB C 13 27.1 . . 1 . . . . . . . . 5361 1 535 . 1 1 54 54 ARG HB2 H 1 0.08 . . 1 . . . . . . . . 5361 1 536 . 1 1 54 54 ARG HB3 H 1 1.06 . . 1 . . . . . . . . 5361 1 537 . 1 1 54 54 ARG HG2 H 1 0.42 . . 2 . . . . . . . . 5361 1 538 . 1 1 54 54 ARG HG3 H 1 0.86 . . 2 . . . . . . . . 5361 1 539 . 1 1 54 54 ARG HD2 H 1 1.65 . . 2 . . . . . . . . 5361 1 540 . 1 1 54 54 ARG HD3 H 1 2.43 . . 2 . . . . . . . . 5361 1 541 . 1 1 55 55 TRP N N 15 121.8 . . 1 . . . . . . . . 5361 1 542 . 1 1 55 55 TRP H H 1 8.23 . . 1 . . . . . . . . 5361 1 543 . 1 1 55 55 TRP C C 13 175.0 . . 1 . . . . . . . . 5361 1 544 . 1 1 55 55 TRP CA C 13 57.9 . . 1 . . . . . . . . 5361 1 545 . 1 1 55 55 TRP HA H 1 4.27 . . 1 . . . . . . . . 5361 1 546 . 1 1 55 55 TRP CB C 13 27.0 . . 1 . . . . . . . . 5361 1 547 . 1 1 55 55 TRP HB2 H 1 2.99 . . 2 . . . . . . . . 5361 1 548 . 1 1 55 55 TRP HB3 H 1 3.11 . . 2 . . . . . . . . 5361 1 549 . 1 1 55 55 TRP HD1 H 1 7.54 . . 1 . . . . . . . . 5361 1 550 . 1 1 55 55 TRP HE1 H 1 10.68 127.8 . 1 . . . . . . . . 5361 1 551 . 1 1 55 55 TRP HE3 H 1 7.56 . . 1 . . . . . . . . 5361 1 552 . 1 1 55 55 TRP HZ2 H 1 7.58 . . 1 . . . . . . . . 5361 1 553 . 1 1 55 55 TRP HZ3 H 1 6.77 . . 1 . . . . . . . . 5361 1 554 . 1 1 55 55 TRP HH2 H 1 7.34 . . 1 . . . . . . . . 5361 1 555 . 1 1 56 56 ARG N N 15 116.4 . . 1 . . . . . . . . 5361 1 556 . 1 1 56 56 ARG H H 1 7.49 . . 1 . . . . . . . . 5361 1 557 . 1 1 56 56 ARG C C 13 177.2 . . 1 . . . . . . . . 5361 1 558 . 1 1 56 56 ARG CA C 13 58.0 . . 1 . . . . . . . . 5361 1 559 . 1 1 56 56 ARG HA H 1 3.89 . . 1 . . . . . . . . 5361 1 560 . 1 1 56 56 ARG CB C 13 26.9 . . 1 . . . . . . . . 5361 1 561 . 1 1 56 56 ARG HB2 H 1 2.02 . . 2 . . . . . . . . 5361 1 562 . 1 1 56 56 ARG HB3 H 1 2.14 . . 2 . . . . . . . . 5361 1 563 . 1 1 56 56 ARG HG2 H 1 1.75 . . 2 . . . . . . . . 5361 1 564 . 1 1 56 56 ARG HG3 H 1 1.57 . . 2 . . . . . . . . 5361 1 565 . 1 1 56 56 ARG HD2 H 1 2.97 . . 1 . . . . . . . . 5361 1 566 . 1 1 56 56 ARG HD3 H 1 2.97 . . 1 . . . . . . . . 5361 1 567 . 1 1 57 57 THR N N 15 119.2 . . 1 . . . . . . . . 5361 1 568 . 1 1 57 57 THR H H 1 7.88 . . 1 . . . . . . . . 5361 1 569 . 1 1 57 57 THR C C 13 173.7 . . 1 . . . . . . . . 5361 1 570 . 1 1 57 57 THR CA C 13 65.2 . . 1 . . . . . . . . 5361 1 571 . 1 1 57 57 THR HA H 1 3.88 . . 1 . . . . . . . . 5361 1 572 . 1 1 57 57 THR HB H 1 4.12 . . 1 . . . . . . . . 5361 1 573 . 1 1 57 57 THR HG21 H 1 1.38 . . 1 . . . . . . . . 5361 1 574 . 1 1 57 57 THR HG22 H 1 1.38 . . 1 . . . . . . . . 5361 1 575 . 1 1 57 57 THR HG23 H 1 1.38 . . 1 . . . . . . . . 5361 1 576 . 1 1 58 58 MET N N 15 120.0 . . 1 . . . . . . . . 5361 1 577 . 1 1 58 58 MET H H 1 8.96 . . 1 . . . . . . . . 5361 1 578 . 1 1 58 58 MET C C 13 176.1 . . 1 . . . . . . . . 5361 1 579 . 1 1 58 58 MET CA C 13 58.4 . . 1 . . . . . . . . 5361 1 580 . 1 1 58 58 MET HA H 1 3.52 . . 1 . . . . . . . . 5361 1 581 . 1 1 58 58 MET CB C 13 30.4 . . 1 . . . . . . . . 5361 1 582 . 1 1 58 58 MET HB2 H 1 1.47 . . 2 . . . . . . . . 5361 1 583 . 1 1 58 58 MET HB3 H 1 1.69 . . 2 . . . . . . . . 5361 1 584 . 1 1 58 58 MET HG2 H 1 1.98 . . 2 . . . . . . . . 5361 1 585 . 1 1 58 58 MET HG3 H 1 2.46 . . 2 . . . . . . . . 5361 1 586 . 1 1 58 58 MET HE1 H 1 2.08 . . 1 . . . . . . . . 5361 1 587 . 1 1 58 58 MET HE2 H 1 2.08 . . 1 . . . . . . . . 5361 1 588 . 1 1 58 58 MET HE3 H 1 2.08 . . 1 . . . . . . . . 5361 1 589 . 1 1 59 59 LYS N N 15 119.1 . . 1 . . . . . . . . 5361 1 590 . 1 1 59 59 LYS H H 1 8.18 . . 1 . . . . . . . . 5361 1 591 . 1 1 59 59 LYS C C 13 177.7 . . 1 . . . . . . . . 5361 1 592 . 1 1 59 59 LYS CA C 13 57.9 . . 1 . . . . . . . . 5361 1 593 . 1 1 59 59 LYS HA H 1 3.65 . . 1 . . . . . . . . 5361 1 594 . 1 1 59 59 LYS CB C 13 29.0 . . 1 . . . . . . . . 5361 1 595 . 1 1 59 59 LYS HB2 H 1 1.68 . . 2 . . . . . . . . 5361 1 596 . 1 1 59 59 LYS HG2 H 1 1.15 . . 2 . . . . . . . . 5361 1 597 . 1 1 59 59 LYS HG3 H 1 1.05 . . 4 . . . . . . . . 5361 1 598 . 1 1 59 59 LYS HE2 H 1 2.97 . . 1 . . . . . . . . 5361 1 599 . 1 1 59 59 LYS HE3 H 1 2.97 . . 1 . . . . . . . . 5361 1 600 . 1 1 60 60 LYS N N 15 122.0 . . 1 . . . . . . . . 5361 1 601 . 1 1 60 60 LYS H H 1 7.57 . . 1 . . . . . . . . 5361 1 602 . 1 1 60 60 LYS C C 13 176.2 . . 1 . . . . . . . . 5361 1 603 . 1 1 60 60 LYS CA C 13 57.2 . . 1 . . . . . . . . 5361 1 604 . 1 1 60 60 LYS HA H 1 3.98 . . 1 . . . . . . . . 5361 1 605 . 1 1 60 60 LYS CB C 13 29.5 . . 1 . . . . . . . . 5361 1 606 . 1 1 60 60 LYS HB2 H 1 2.03 . . 2 . . . . . . . . 5361 1 607 . 1 1 61 61 LEU N N 15 116.5 . . 1 . . . . . . . . 5361 1 608 . 1 1 61 61 LEU H H 1 8.06 . . 1 . . . . . . . . 5361 1 609 . 1 1 61 61 LEU C C 13 173.3 . . 1 . . . . . . . . 5361 1 610 . 1 1 61 61 LEU CA C 13 52.5 . . 1 . . . . . . . . 5361 1 611 . 1 1 61 61 LEU HA H 1 4.21 . . 1 . . . . . . . . 5361 1 612 . 1 1 61 61 LEU CB C 13 39.8 . . 1 . . . . . . . . 5361 1 613 . 1 1 61 61 LEU HB2 H 1 1.6 . . 2 . . . . . . . . 5361 1 614 . 1 1 61 61 LEU HG H 1 1.37 . . 1 . . . . . . . . 5361 1 615 . 1 1 61 61 LEU HD11 H 1 0.90 . . 2 . . . . . . . . 5361 1 616 . 1 1 61 61 LEU HD12 H 1 0.90 . . 2 . . . . . . . . 5361 1 617 . 1 1 61 61 LEU HD13 H 1 0.90 . . 2 . . . . . . . . 5361 1 618 . 1 1 61 61 LEU HD21 H 1 0.93 . . 2 . . . . . . . . 5361 1 619 . 1 1 61 61 LEU HD22 H 1 0.93 . . 2 . . . . . . . . 5361 1 620 . 1 1 61 61 LEU HD23 H 1 0.93 . . 2 . . . . . . . . 5361 1 621 . 1 1 62 62 LYS N N 15 114.8 . . 1 . . . . . . . . 5361 1 622 . 1 1 62 62 LYS H H 1 7.63 . . 1 . . . . . . . . 5361 1 623 . 1 1 62 62 LYS C C 13 174.5 . . 1 . . . . . . . . 5361 1 624 . 1 1 62 62 LYS CA C 13 55.2 . . 1 . . . . . . . . 5361 1 625 . 1 1 62 62 LYS HA H 1 3.87 . . 2 . . . . . . . . 5361 1 626 . 1 1 62 62 LYS CB C 13 25.3 . . 2 . . . . . . . . 5361 1 627 . 1 1 62 62 LYS HB2 H 1 1.89 . . 2 . . . . . . . . 5361 1 628 . 1 1 62 62 LYS HB3 H 1 2.14 . . 2 . . . . . . . . 5361 1 629 . 1 1 63 63 LEU N N 15 117.0 . . 1 . . . . . . . . 5361 1 630 . 1 1 63 63 LEU H H 1 8.32 . . 1 . . . . . . . . 5361 1 631 . 1 1 63 63 LEU C C 13 175.1 . . 1 . . . . . . . . 5361 1 632 . 1 1 63 63 LEU CA C 13 51.8 . . 1 . . . . . . . . 5361 1 633 . 1 1 63 63 LEU HA H 1 4.53 . . 1 . . . . . . . . 5361 1 634 . 1 1 63 63 LEU CB C 13 40.5 . . 1 . . . . . . . . 5361 1 635 . 1 1 63 63 LEU HB2 H 1 1.28 . . 2 . . . . . . . . 5361 1 636 . 1 1 63 63 LEU HB3 H 1 1.67 . . 2 . . . . . . . . 5361 1 637 . 1 1 63 63 LEU HG H 1 1.52 . . 1 . . . . . . . . 5361 1 638 . 1 1 63 63 LEU HD11 H 1 0.86 . . 1 . . . . . . . . 5361 1 639 . 1 1 63 63 LEU HD12 H 1 0.86 . . 1 . . . . . . . . 5361 1 640 . 1 1 63 63 LEU HD13 H 1 0.86 . . 1 . . . . . . . . 5361 1 641 . 1 1 63 63 LEU HD21 H 1 0.86 . . 1 . . . . . . . . 5361 1 642 . 1 1 63 63 LEU HD22 H 1 0.86 . . 1 . . . . . . . . 5361 1 643 . 1 1 63 63 LEU HD23 H 1 0.86 . . 1 . . . . . . . . 5361 1 644 . 1 1 64 64 ILE N N 15 115.2 . . 1 . . . . . . . . 5361 1 645 . 1 1 64 64 ILE H H 1 7.21 . . 1 . . . . . . . . 5361 1 646 . 1 1 64 64 ILE C C 13 173.5 . . 1 . . . . . . . . 5361 1 647 . 1 1 64 64 ILE CA C 13 59.9 . . 1 . . . . . . . . 5361 1 648 . 1 1 64 64 ILE HA H 1 3.91 . . 1 . . . . . . . . 5361 1 649 . 1 1 64 64 ILE CB C 13 35.3 . . 1 . . . . . . . . 5361 1 650 . 1 1 64 64 ILE HB H 1 1.88 . . 1 . . . . . . . . 5361 1 651 . 1 1 64 64 ILE HG12 H 1 1.11 . . 1 . . . . . . . . 5361 1 652 . 1 1 64 64 ILE HG13 H 1 0.70 . . 1 . . . . . . . . 5361 1 653 . 1 1 64 64 ILE HG21 H 1 0.70 . . 1 . . . . . . . . 5361 1 654 . 1 1 64 64 ILE HG22 H 1 0.70 . . 1 . . . . . . . . 5361 1 655 . 1 1 64 64 ILE HG23 H 1 0.70 . . 1 . . . . . . . . 5361 1 656 . 1 1 64 64 ILE HD11 H 1 0.34 . . 1 . . . . . . . . 5361 1 657 . 1 1 64 64 ILE HD12 H 1 0.34 . . 1 . . . . . . . . 5361 1 658 . 1 1 64 64 ILE HD13 H 1 0.34 . . 1 . . . . . . . . 5361 1 659 . 1 1 65 65 SER N N 15 117.6 . . 1 . . . . . . . . 5361 1 660 . 1 1 65 65 SER H H 1 8.09 . . 1 . . . . . . . . 5361 1 661 . 1 1 65 65 SER C C 13 172.1 . . 1 . . . . . . . . 5361 1 662 . 1 1 65 65 SER CA C 13 55.5 . . 1 . . . . . . . . 5361 1 663 . 1 1 65 65 SER HA H 1 4.55 . . 1 . . . . . . . . 5361 1 664 . 1 1 65 65 SER CB C 13 61.9 . . 1 . . . . . . . . 5361 1 665 . 1 1 65 65 SER HB2 H 1 3.86 . . 2 . . . . . . . . 5361 1 666 . 1 1 66 66 SER N N 15 117.3 . . 1 . . . . . . . . 5361 1 667 . 1 1 66 66 SER H H 1 8.29 . . 1 . . . . . . . . 5361 1 668 . 1 1 66 66 SER C C 13 172.0 . . 1 . . . . . . . . 5361 1 669 . 1 1 66 66 SER CA C 13 56.2 . . 1 . . . . . . . . 5361 1 670 . 1 1 66 66 SER HA H 1 4.50 . . 1 . . . . . . . . 5361 1 671 . 1 1 66 66 SER CB C 13 61.9 . . 1 . . . . . . . . 5361 1 672 . 1 1 66 66 SER HB2 H 1 3.86 . . 2 . . . . . . . . 5361 1 673 . 1 1 67 67 ASP N N 15 121.8 . . 1 . . . . . . . . 5361 1 674 . 1 1 67 67 ASP H H 1 8.41 . . 1 . . . . . . . . 5361 1 675 . 1 1 67 67 ASP C C 13 173.8 . . 1 . . . . . . . . 5361 1 676 . 1 1 67 67 ASP CA C 13 52.2 . . 1 . . . . . . . . 5361 1 677 . 1 1 67 67 ASP HA H 1 4.65 . . 1 . . . . . . . . 5361 1 678 . 1 1 67 67 ASP CB C 13 38.6 . . 1 . . . . . . . . 5361 1 679 . 1 1 67 67 ASP HB2 H 1 2.71 . . 2 . . . . . . . . 5361 1 680 . 1 1 68 68 SER N N 15 114.7 . . 1 . . . . . . . . 5361 1 681 . 1 1 68 68 SER H H 1 8.17 . . 1 . . . . . . . . 5361 1 682 . 1 1 68 68 SER C C 13 172.0 . . 1 . . . . . . . . 5361 1 683 . 1 1 68 68 SER CA C 13 56.1 . . 1 . . . . . . . . 5361 1 684 . 1 1 68 68 SER HA H 1 4.48 . . 1 . . . . . . . . 5361 1 685 . 1 1 68 68 SER CB C 13 62.0 . . 1 . . . . . . . . 5361 1 686 . 1 1 68 68 SER HB2 H 1 3.87 . . 2 . . . . . . . . 5361 1 687 . 1 1 69 69 GLU N N 15 122.5 . . 1 . . . . . . . . 5361 1 688 . 1 1 69 69 GLU H H 1 8.41 . . 1 . . . . . . . . 5361 1 689 . 1 1 69 69 GLU C C 13 173.0 . . 1 . . . . . . . . 5361 1 690 . 1 1 69 69 GLU CA C 13 54.1 . . 1 . . . . . . . . 5361 1 691 . 1 1 69 69 GLU HA H 1 4.36 . . 1 . . . . . . . . 5361 1 692 . 1 1 69 69 GLU CB C 13 27.4 . . 1 . . . . . . . . 5361 1 693 . 1 1 69 69 GLU HB2 H 1 1.94 . . 2 . . . . . . . . 5361 1 694 . 1 1 69 69 GLU HB3 H 1 2.15 . . 2 . . . . . . . . 5361 1 695 . 1 1 69 69 GLU HG2 H 1 2.27 . . 1 . . . . . . . . 5361 1 696 . 1 1 69 69 GLU HG3 H 1 2.27 . . 1 . . . . . . . . 5361 1 697 . 1 1 70 70 ASP N N 15 126.2 . . 1 . . . . . . . . 5361 1 698 . 1 1 70 70 ASP H H 1 7.95 . . 1 . . . . . . . . 5361 1 699 . 1 1 70 70 ASP CA C 13 53.8 . . 1 . . . . . . . . 5361 1 700 . 1 1 70 70 ASP HA H 1 4.39 . . 1 . . . . . . . . 5361 1 701 . 1 1 70 70 ASP HB2 H 1 2.69 . . 2 . . . . . . . . 5361 1 702 . 1 1 70 70 ASP HB3 H 1 2.57 . . 2 . . . . . . . . 5361 1 stop_ save_ save_chemical_shift_set2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set2 _Assigned_chem_shift_list.Entry_ID 5361 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5361 2 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 . 2 2 1 1 DG H1' H 1 6.04 . . 1 . . . . . . . . 5361 2 2 . 2 2 1 1 DG H2' H 1 2.81 . . 1 . . . . . . . . 5361 2 3 . 2 2 1 1 DG H2'' H 1 2.85 . . 1 . . . . . . . . 5361 2 4 . 2 2 1 1 DG H3' H 1 4.79 . . 1 . . . . . . . . 5361 2 5 . 2 2 1 1 DG H4' H 1 4.23 . . 1 . . . . . . . . 5361 2 6 . 2 2 1 1 DG H8 H 1 7.98 . . 1 . . . . . . . . 5361 2 7 . 2 2 1 1 DG H5' H 1 3.81 . . 2 . . . . . . . . 5361 2 8 . 2 2 1 1 DG H5'' H 1 3.88 . . 2 . . . . . . . . 5361 2 9 . 2 2 2 2 DT H1' H 1 6.05 . . 1 . . . . . . . . 5361 2 10 . 2 2 2 2 DT H2' H 1 2.26 . . 1 . . . . . . . . 5361 2 11 . 2 2 2 2 DT H2'' H 1 2.65 . . 1 . . . . . . . . 5361 2 12 . 2 2 2 2 DT H3' H 1 4.86 . . 1 . . . . . . . . 5361 2 13 . 2 2 2 2 DT H4' H 1 4.25 . . 1 . . . . . . . . 5361 2 14 . 2 2 2 2 DT H6 H 1 7.49 . . 1 . . . . . . . . 5361 2 15 . 2 2 2 2 DT H5' H 1 4.11 . . 2 . . . . . . . . 5361 2 16 . 2 2 2 2 DT H5'' H 1 4.11 . . 2 . . . . . . . . 5361 2 17 . 2 2 2 2 DT H71 H 1 1.40 . . 1 . . . . . . . . 5361 2 18 . 2 2 2 2 DT H72 H 1 1.40 . . 1 . . . . . . . . 5361 2 19 . 2 2 2 2 DT H73 H 1 1.40 . . 1 . . . . . . . . 5361 2 20 . 2 2 3 3 DT H1' H 1 5.94 . . 1 . . . . . . . . 5361 2 21 . 2 2 3 3 DT H2' H 1 2.62 . . 1 . . . . . . . . 5361 2 22 . 2 2 3 3 DT H2'' H 1 2.84 . . 1 . . . . . . . . 5361 2 23 . 2 2 3 3 DT H3' H 1 5.41 . . 1 . . . . . . . . 5361 2 24 . 2 2 3 3 DT H4' H 1 4.33 . . 1 . . . . . . . . 5361 2 25 . 2 2 3 3 DT H6 H 1 7.73 . . 1 . . . . . . . . 5361 2 26 . 2 2 3 3 DT H3 H 1 13.58 . . 1 . . . . . . . . 5361 2 27 . 2 2 3 3 DT H71 H 1 1.40 . . 1 . . . . . . . . 5361 2 28 . 2 2 3 3 DT H72 H 1 1.40 . . 1 . . . . . . . . 5361 2 29 . 2 2 3 3 DT H73 H 1 1.40 . . 1 . . . . . . . . 5361 2 30 . 2 2 4 4 DA H1' H 1 6.16 . . 1 . . . . . . . . 5361 2 31 . 2 2 4 4 DA H2' H 1 2.87 . . 1 . . . . . . . . 5361 2 32 . 2 2 4 4 DA H2'' H 1 2.98 . . 1 . . . . . . . . 5361 2 33 . 2 2 4 4 DA H3' H 1 5.17 . . 1 . . . . . . . . 5361 2 34 . 2 2 4 4 DA H4' H 1 4.51 . . 1 . . . . . . . . 5361 2 35 . 2 2 4 4 DA H8 H 1 8.18 . . 1 . . . . . . . . 5361 2 36 . 2 2 4 4 DA H2 H 1 7.39 . . 1 . . . . . . . . 5361 2 37 . 2 2 5 5 DG H1' H 1 5.14 . . 1 . . . . . . . . 5361 2 38 . 2 2 5 5 DG H2' H 1 2.45 . . 1 . . . . . . . . 5361 2 39 . 2 2 5 5 DG H2'' H 1 2.53 . . 1 . . . . . . . . 5361 2 40 . 2 2 5 5 DG H3' H 1 4.95 . . 1 . . . . . . . . 5361 2 41 . 2 2 5 5 DG H8 H 1 7.59 . . 1 . . . . . . . . 5361 2 42 . 2 2 5 5 DG H1 H 1 13.01 . . 1 . . . . . . . . 5361 2 43 . 2 2 6 6 DG H1' H 1 5.95 . . 1 . . . . . . . . 5361 2 44 . 2 2 6 6 DG H2' H 1 2.55 . . 1 . . . . . . . . 5361 2 45 . 2 2 6 6 DG H2'' H 1 2.84 . . 1 . . . . . . . . 5361 2 46 . 2 2 6 6 DG H3' H 1 4.97 . . 1 . . . . . . . . 5361 2 47 . 2 2 6 6 DG H8 H 1 7.71 . . 1 . . . . . . . . 5361 2 48 . 2 2 6 6 DG H1 H 1 13.16 . . 1 . . . . . . . . 5361 2 49 . 2 2 7 7 DG H1' H 1 5.82 . . 1 . . . . . . . . 5361 2 50 . 2 2 7 7 DG H2' H 1 2.37 . . 1 . . . . . . . . 5361 2 51 . 2 2 7 7 DG H2'' H 1 2.67 . . 1 . . . . . . . . 5361 2 52 . 2 2 7 7 DG H3' H 1 4.84 . . 1 . . . . . . . . 5361 2 53 . 2 2 7 7 DG H4' H 1 4.36 . . 1 . . . . . . . . 5361 2 54 . 2 2 7 7 DG H8 H 1 7.40 . . 1 . . . . . . . . 5361 2 55 . 2 2 7 7 DG H5' H 1 4.15 . . 2 . . . . . . . . 5361 2 56 . 2 2 7 7 DG H5'' H 1 4.24 . . 2 . . . . . . . . 5361 2 57 . 2 2 7 7 DG H1 H 1 12.72 . . 1 . . . . . . . . 5361 2 58 . 2 2 8 8 DT H1' H 1 6.03 . . 1 . . . . . . . . 5361 2 59 . 2 2 8 8 DT H2' H 1 2.08 . . 1 . . . . . . . . 5361 2 60 . 2 2 8 8 DT H2'' H 1 2.64 . . 1 . . . . . . . . 5361 2 61 . 2 2 8 8 DT H3' H 1 4.84 . . 1 . . . . . . . . 5361 2 62 . 2 2 8 8 DT H6 H 1 7.19 . . 1 . . . . . . . . 5361 2 63 . 2 2 8 8 DT H3 H 1 13.82 . . 1 . . . . . . . . 5361 2 64 . 2 2 8 8 DT H71 H 1 1.07 . . 1 . . . . . . . . 5361 2 65 . 2 2 8 8 DT H72 H 1 1.07 . . 1 . . . . . . . . 5361 2 66 . 2 2 8 8 DT H73 H 1 1.07 . . 1 . . . . . . . . 5361 2 67 . 2 2 9 9 DT H1' H 1 5.40 . . 1 . . . . . . . . 5361 2 68 . 2 2 9 9 DT H2' H 1 2.15 . . 1 . . . . . . . . 5361 2 69 . 2 2 9 9 DT H2'' H 1 2.34 . . 1 . . . . . . . . 5361 2 70 . 2 2 9 9 DT H3' H 1 4.85 . . 1 . . . . . . . . 5361 2 71 . 2 2 9 9 DT H4' H 1 4.04 . . 1 . . . . . . . . 5361 2 72 . 2 2 9 9 DT H6 H 1 7.37 . . 1 . . . . . . . . 5361 2 73 . 2 2 9 9 DT H3 H 1 13.66 . . 1 . . . . . . . . 5361 2 74 . 2 2 9 9 DT H71 H 1 1.62 . . 1 . . . . . . . . 5361 2 75 . 2 2 9 9 DT H72 H 1 1.62 . . 1 . . . . . . . . 5361 2 76 . 2 2 9 9 DT H73 H 1 1.62 . . 1 . . . . . . . . 5361 2 77 . 2 2 10 10 DA H1' H 1 5.86 . . 1 . . . . . . . . 5361 2 78 . 2 2 10 10 DA H2' H 1 2.81 . . 2 . . . . . . . . 5361 2 79 . 2 2 10 10 DA H2'' H 1 2.81 . . 2 . . . . . . . . 5361 2 80 . 2 2 10 10 DA H3' H 1 5.04 . . 1 . . . . . . . . 5361 2 81 . 2 2 10 10 DA H4' H 1 4.23 . . 1 . . . . . . . . 5361 2 82 . 2 2 10 10 DA H8 H 1 8.26 . . 1 . . . . . . . . 5361 2 83 . 2 2 10 10 DA H5' H 1 4.11 . . 2 . . . . . . . . 5361 2 84 . 2 2 10 10 DA H5'' H 1 4.11 . . 2 . . . . . . . . 5361 2 85 . 2 2 10 10 DA H2 H 1 7.72 . . 1 . . . . . . . . 5361 2 86 . 2 2 11 11 DG H1' H 1 5.33 . . 1 . . . . . . . . 5361 2 87 . 2 2 11 11 DG H2' H 1 2.52 . . 1 . . . . . . . . 5361 2 88 . 2 2 11 11 DG H2'' H 1 2.60 . . 1 . . . . . . . . 5361 2 89 . 2 2 11 11 DG H3' H 1 4.95 . . 1 . . . . . . . . 5361 2 90 . 2 2 11 11 DG H4' H 1 4.33 . . 1 . . . . . . . . 5361 2 91 . 2 2 11 11 DG H8 H 1 7.69 . . 1 . . . . . . . . 5361 2 92 . 2 2 11 11 DG H1 H 1 12.80 . . 1 . . . . . . . . 5361 2 93 . 2 2 12 12 DG H1' H 1 5.78 . . 1 . . . . . . . . 5361 2 94 . 2 2 12 12 DG H2' H 1 2.53 . . 1 . . . . . . . . 5361 2 95 . 2 2 12 12 DG H2'' H 1 2.70 . . 1 . . . . . . . . 5361 2 96 . 2 2 12 12 DG H3' H 1 4.93 . . 1 . . . . . . . . 5361 2 97 . 2 2 12 12 DG H4' H 1 4.37 . . 1 . . . . . . . . 5361 2 98 . 2 2 12 12 DG H8 H 1 7.68 . . 1 . . . . . . . . 5361 2 99 . 2 2 12 12 DG H5' H 1 4.11 . . 2 . . . . . . . . 5361 2 100 . 2 2 12 12 DG H5'' H 1 4.19 . . 2 . . . . . . . . 5361 2 101 . 2 2 12 12 DG H1 H 1 13.04 . . 1 . . . . . . . . 5361 2 102 . 2 2 13 13 DG H1' H 1 6.12 . . 1 . . . . . . . . 5361 2 103 . 2 2 13 13 DG H2' H 1 2.34 . . 1 . . . . . . . . 5361 2 104 . 2 2 13 13 DG H2'' H 1 2.48 . . 1 . . . . . . . . 5361 2 105 . 2 2 13 13 DG H3' H 1 4.63 . . 1 . . . . . . . . 5361 2 106 . 2 2 13 13 DG H4' H 1 4.15 . . 1 . . . . . . . . 5361 2 107 . 2 2 13 13 DG H8 H 1 7.74 . . 1 . . . . . . . . 5361 2 stop_ save_ save_chemical_shift_set_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_3 _Assigned_chem_shift_list.Entry_ID 5361 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5361 3 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 . 3 3 1 1 DC H1' H 1 5.99 . . 1 . . . . . . . . 5361 3 2 . 3 3 1 1 DC H2' H 1 2.16 . . 1 . . . . . . . . 5361 3 3 . 3 3 1 1 DC H2'' H 1 2.54 . . 1 . . . . . . . . 5361 3 4 . 3 3 1 1 DC H3' H 1 4.66 . . 1 . . . . . . . . 5361 3 5 . 3 3 1 1 DC H4' H 1 4.12 . . 1 . . . . . . . . 5361 3 6 . 3 3 1 1 DC H6 H 1 7.79 . . 1 . . . . . . . . 5361 3 7 . 3 3 1 1 DC H5' H 1 3.75 . . 2 . . . . . . . . 5361 3 8 . 3 3 1 1 DC H5'' H 1 3.80 . . 2 . . . . . . . . 5361 3 9 . 3 3 1 1 DC H5 H 1 5.96 . . 1 . . . . . . . . 5361 3 10 . 3 3 2 2 DC H1' H 1 5.98 . . 1 . . . . . . . . 5361 3 11 . 3 3 2 2 DC H2' H 1 2.18 . . 1 . . . . . . . . 5361 3 12 . 3 3 2 2 DC H2'' H 1 2.46 . . 1 . . . . . . . . 5361 3 13 . 3 3 2 2 DC H3' H 1 4.84 . . 1 . . . . . . . . 5361 3 14 . 3 3 2 2 DC H4' H 1 4.18 . . 1 . . . . . . . . 5361 3 15 . 3 3 2 2 DC H6 H 1 7.62 . . 1 . . . . . . . . 5361 3 16 . 3 3 2 2 DC H5' H 1 4.03 . . 2 . . . . . . . . 5361 3 17 . 3 3 2 2 DC H5'' H 1 4.03 . . 2 . . . . . . . . 5361 3 18 . 3 3 2 2 DC H5 H 1 5.67 . . 1 . . . . . . . . 5361 3 19 . 3 3 3 3 DC H1' H 1 5.91 . . 1 . . . . . . . . 5361 3 20 . 3 3 3 3 DC H2' H 1 1.96 . . 1 . . . . . . . . 5361 3 21 . 3 3 3 3 DC H2'' H 1 2.31 . . 1 . . . . . . . . 5361 3 22 . 3 3 3 3 DC H3' H 1 4.77 . . 1 . . . . . . . . 5361 3 23 . 3 3 3 3 DC H4' H 1 4.10 . . 1 . . . . . . . . 5361 3 24 . 3 3 3 3 DC H6 H 1 7.50 . . 1 . . . . . . . . 5361 3 25 . 3 3 3 3 DC H5 H 1 5.64 . . 1 . . . . . . . . 5361 3 26 . 3 3 4 4 DT H2' H 1 1.97 . . 1 . . . . . . . . 5361 3 27 . 3 3 4 4 DT H2'' H 1 1.97 . . 1 . . . . . . . . 5361 3 28 . 3 3 4 4 DT H6 H 1 7.34 . . 1 . . . . . . . . 5361 3 29 . 3 3 4 4 DT H3 H 1 14.04 . . 1 . . . . . . . . 5361 3 30 . 3 3 4 4 DT H71 H 1 1.66 . . 1 . . . . . . . . 5361 3 31 . 3 3 4 4 DT H72 H 1 1.66 . . 1 . . . . . . . . 5361 3 32 . 3 3 4 4 DT H73 H 1 1.66 . . 1 . . . . . . . . 5361 3 33 . 3 3 5 5 DA H1' H 1 5.79 . . 1 . . . . . . . . 5361 3 34 . 3 3 5 5 DA H2' H 1 2.82 . . 1 . . . . . . . . 5361 3 35 . 3 3 5 5 DA H2'' H 1 2.97 . . 1 . . . . . . . . 5361 3 36 . 3 3 5 5 DA H3' H 1 4.93 . . 1 . . . . . . . . 5361 3 37 . 3 3 5 5 DA H4' H 1 4.42 . . 1 . . . . . . . . 5361 3 38 . 3 3 5 5 DA H8 H 1 8.39 . . 1 . . . . . . . . 5361 3 39 . 3 3 5 5 DA H2 H 1 7.15 . . 1 . . . . . . . . 5361 3 40 . 3 3 6 6 DA H1' H 1 6.26 . . 1 . . . . . . . . 5361 3 41 . 3 3 6 6 DA H2' H 1 2.80 . . 1 . . . . . . . . 5361 3 42 . 3 3 6 6 DA H2'' H 1 3.34 . . 1 . . . . . . . . 5361 3 43 . 3 3 6 6 DA H3' H 1 5.27 . . 1 . . . . . . . . 5361 3 44 . 3 3 6 6 DA H4' H 1 4.29 . . 1 . . . . . . . . 5361 3 45 . 3 3 6 6 DA H8 H 1 8.44 . . 1 . . . . . . . . 5361 3 46 . 3 3 6 6 DA H2 H 1 7.50 . . 1 . . . . . . . . 5361 3 47 . 3 3 7 7 DC H1' H 1 5.61 . . 1 . . . . . . . . 5361 3 48 . 3 3 7 7 DC H2' H 1 2.16 . . 1 . . . . . . . . 5361 3 49 . 3 3 7 7 DC H2'' H 1 2.35 . . 1 . . . . . . . . 5361 3 50 . 3 3 7 7 DC H3' H 1 4.52 . . 1 . . . . . . . . 5361 3 51 . 3 3 7 7 DC H4' H 1 4.13 . . 1 . . . . . . . . 5361 3 52 . 3 3 7 7 DC H5 H 1 4.52 . . 1 . . . . . . . . 5361 3 53 . 3 3 7 7 DC H6 H 1 7.33 . . 1 . . . . . . . . 5361 3 54 . 3 3 8 8 DC H1' H 1 5.99 . . 1 . . . . . . . . 5361 3 55 . 3 3 8 8 DC H2' H 1 2.15 . . 1 . . . . . . . . 5361 3 56 . 3 3 8 8 DC H2'' H 1 2.46 . . 1 . . . . . . . . 5361 3 57 . 3 3 8 8 DC H3' H 1 4.80 . . 1 . . . . . . . . 5361 3 58 . 3 3 8 8 DC H6 H 1 7.28 . . 1 . . . . . . . . 5361 3 59 . 3 3 8 8 DC H5 H 1 5.22 . . 1 . . . . . . . . 5361 3 60 . 3 3 9 9 DC H1' H 1 6.06 . . 1 . . . . . . . . 5361 3 61 . 3 3 9 9 DC H2' H 1 2.11 . . 1 . . . . . . . . 5361 3 62 . 3 3 9 9 DC H2'' H 1 2.63 . . 1 . . . . . . . . 5361 3 63 . 3 3 9 9 DC H6 H 1 7.59 . . 1 . . . . . . . . 5361 3 64 . 3 3 9 9 DC H5 H 1 5.78 . . 1 . . . . . . . . 5361 3 65 . 3 3 10 10 DT H1' H 1 5.30 . . 1 . . . . . . . . 5361 3 66 . 3 3 10 10 DT H2' H 1 2.07 . . 1 . . . . . . . . 5361 3 67 . 3 3 10 10 DT H2'' H 1 2.30 . . 1 . . . . . . . . 5361 3 68 . 3 3 10 10 DT H3' H 1 4.85 . . 1 . . . . . . . . 5361 3 69 . 3 3 10 10 DT H4' H 1 4.05 . . 1 . . . . . . . . 5361 3 70 . 3 3 10 10 DT H6 H 1 7.33 . . 1 . . . . . . . . 5361 3 71 . 3 3 10 10 DT H3 H 1 13.71 . . 1 . . . . . . . . 5361 3 72 . 3 3 10 10 DT H71 H 1 1.68 . . 1 . . . . . . . . 5361 3 73 . 3 3 10 10 DT H72 H 1 1.68 . . 1 . . . . . . . . 5361 3 74 . 3 3 10 10 DT H73 H 1 1.68 . . 1 . . . . . . . . 5361 3 75 . 3 3 11 11 DA H1' H 1 6.01 . . 1 . . . . . . . . 5361 3 76 . 3 3 11 11 DA H2' H 1 2.70 . . 1 . . . . . . . . 5361 3 77 . 3 3 11 11 DA H2'' H 1 2.89 . . 1 . . . . . . . . 5361 3 78 . 3 3 11 11 DA H3' H 1 5.06 . . 1 . . . . . . . . 5361 3 79 . 3 3 11 11 DA H4' H 1 4.39 . . 1 . . . . . . . . 5361 3 80 . 3 3 11 11 DA H8 H 1 8.24 . . 1 . . . . . . . . 5361 3 81 . 3 3 11 11 DA H2 H 1 7.02 . . 1 . . . . . . . . 5361 3 82 . 3 3 12 12 DA H1' H 1 6.07 . . 1 . . . . . . . . 5361 3 83 . 3 3 12 12 DA H2' H 1 2.55 . . 1 . . . . . . . . 5361 3 84 . 3 3 12 12 DA H2'' H 1 2.79 . . 1 . . . . . . . . 5361 3 85 . 3 3 12 12 DA H3' H 1 4.98 . . 1 . . . . . . . . 5361 3 86 . 3 3 12 12 DA H4' H 1 4.38 . . 1 . . . . . . . . 5361 3 87 . 3 3 12 12 DA H8 H 1 8.14 . . 1 . . . . . . . . 5361 3 88 . 3 3 12 12 DA H5' H 1 3.99 . . 2 . . . . . . . . 5361 3 89 . 3 3 12 12 DA H5'' H 1 4.02 . . 2 . . . . . . . . 5361 3 90 . 3 3 12 12 DA H2 H 1 7.68 . . 1 . . . . . . . . 5361 3 91 . 3 3 13 13 DC H1' H 1 5.96 . . 1 . . . . . . . . 5361 3 92 . 3 3 13 13 DC H2' H 1 1.98 . . 1 . . . . . . . . 5361 3 93 . 3 3 13 13 DC H2'' H 1 2.11 . . 1 . . . . . . . . 5361 3 94 . 3 3 13 13 DC H3' H 1 5.25 . . 1 . . . . . . . . 5361 3 95 . 3 3 13 13 DC H4' H 1 4.17 . . 1 . . . . . . . . 5361 3 96 . 3 3 13 13 DC H6 H 1 7.24 . . 1 . . . . . . . . 5361 3 97 . 3 3 13 13 DC H5' H 1 3.98 . . 2 . . . . . . . . 5361 3 98 . 3 3 13 13 DC H5'' H 1 4.21 . . 2 . . . . . . . . 5361 3 99 . 3 3 13 13 DC H5 H 1 5.25 . . 1 . . . . . . . . 5361 3 stop_ save_