data_17574 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17574 _Entry.Title ; Structure of a yeast RNase III dsRBD complex with a non-canonical RNA substrate provides new insights into substrate recognition ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-06 _Entry.Accession_date 2011-04-06 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Zhonghua Wang . . . 17574 2 Elon Hartman . . . 17574 3 Kevin Roy . . . 17574 4 Guillaume Chanfreau . . . 17574 5 Juli Feigon . . . 17574 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17574 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'AAGU tetraloop' . 17574 dsRBD . 17574 NMR . 17574 Rnt1p . 17574 'solution structure' . 17574 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17574 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 326 17574 '15N chemical shifts' 87 17574 '1H chemical shifts' 547 17574 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-03 2011-04-06 original author . 17574 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1T4L . 17574 PDB 2LBS 'BMRB Entry Tracking System' 17574 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17574 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structure of a yeast RNase III dsRBD complex with a non-canonical RNA substrate provides new insights into substrate recognition' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Zhonghua Wang . . . 17574 1 2 Elon Hartman . . . 17574 1 3 Kevin Roy . . . 17574 1 4 Guillaume Chanfreau . . . 17574 1 5 Juli Feigon . . . 17574 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 17574 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15150409 _Citation.Full_citation . _Citation.Title 'Structural basis for recognition of the AGNN tetraloop RNA fold by the double-stranded RNA-binding domain of Rnt1p RNase III' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 101 _Citation.Journal_issue 22 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 8307 _Citation.Page_last 8312 _Citation.Year 2004 _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 Haihong Wu . . . 17574 2 2 Anthony Henras . . . 17574 2 3 Guillaume Chanfreau . . . 17574 2 4 Juli Feigon . . . 17574 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17574 _Assembly.ID 1 _Assembly.Name 'yeast RNase III dsRBD complex with a non-canonical RNA substrate' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'yeast RNase III dsRBD' 1 $entity_1 A . yes native no no . . . 17574 1 2 'non-canonical RNA substrate' 2 $entity_2 B . no native no no . . . 17574 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 17574 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'yeast RNase III dsRBD' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSLDMNAKRQLYSLIGYASL RLHYVTVKKPTAVDPNSIVE CRVGDGTVLGTGVGRNIKIA GIRAAENALRDKKMLDFYAK QRAAIPRSES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9822.442 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18534 . "Ribonuclease III" . . . . . 100.00 90 100.00 100.00 1.54e-57 . . . . 17574 1 2 no BMRB 18535 . "Ribonuclease III" . . . . . 100.00 90 100.00 100.00 1.54e-57 . . . . 17574 1 3 no PDB 1T4L . "Solution Structure Of Double-Stranded Rna Binding Domain Of S. Cerevisiae Rnase Iii (Rnt1p) In Complex With The 5' Terminal Rna" . . . . . 100.00 90 100.00 100.00 1.54e-57 . . . . 17574 1 4 no PDB 1T4N . "Solution Structure Of Rnt1p Dsrbd" . . . . . 91.11 94 100.00 100.00 1.76e-51 . . . . 17574 1 5 no PDB 1T4O . "Crystal Structure Of Rnt1p Dsrbd" . . . . . 97.78 117 100.00 100.00 1.72e-56 . . . . 17574 1 6 no PDB 2LBS . "Solution Structure Of Double-Stranded Rna Binding Domain Of S. Cerevisiae Rnase Iii (Rnt1p) In Complex With Aagu Tetraloop Hair" . . . . . 100.00 90 100.00 100.00 1.54e-57 . . . . 17574 1 7 no PDB 2LUP . "Rdc Refined Solution Structure Of Double-Stranded Rna Binding Domain Of S. Cerevisiae Rnase Iii (Rnt1p) In Complex With The Ter" . . . . . 100.00 90 100.00 100.00 1.54e-57 . . . . 17574 1 8 no PDB 2LUQ . "Solution Structure Of Double-stranded Rna Binding Domain Of S.cerevisiae Rnase Iii (rnt1p)" . . . . . 100.00 90 100.00 100.00 1.54e-57 . . . . 17574 1 9 no PDB 4OOG . "Crystal Structure Of Yeast Rnase Iii (rnt1p) Complexed With The Product Of Dsrna Processing" . . . . . 97.78 261 100.00 100.00 1.34e-54 . . . . 17574 1 10 no DBJ GAA25690 . "K7_Rnt1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 17574 1 11 no EMBL CAA90210 . "unknown [Saccharomyces cerevisiae]" . . . . . 97.78 362 100.00 100.00 5.24e-52 . . . . 17574 1 12 no EMBL CAY82070 . "Rnt1p [Saccharomyces cerevisiae EC1118]" . . . . . 97.78 471 98.86 98.86 3.86e-50 . . . . 17574 1 13 no GB AAB04172 . "Rnt1p [Saccharomyces cerevisiae]" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 17574 1 14 no GB AHY76694 . "Rnt1p [Saccharomyces cerevisiae YJM993]" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 17574 1 15 no GB AJP40933 . "Rnt1p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.78 471 100.00 100.00 9.79e-51 . . . . 17574 1 16 no GB AJS62105 . "Rnt1p [Saccharomyces cerevisiae YJM189]" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 17574 1 17 no GB AJS62540 . "Rnt1p [Saccharomyces cerevisiae YJM193]" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 17574 1 18 no REF NP_013966 . "Rnt1p [Saccharomyces cerevisiae S288c]" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 17574 1 19 no SP Q02555 . "RecName: Full=Ribonuclease 3; AltName: Full=Ribonuclease III; Short=RNase III" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 17574 1 20 no TPG DAA10139 . "TPA: Rnt1p [Saccharomyces cerevisiae S288c]" . . . . . 97.78 471 100.00 100.00 8.02e-51 . . . . 17574 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 1 364 GLY . 17574 1 2 365 SER . 17574 1 3 366 LEU . 17574 1 4 367 ASP . 17574 1 5 368 MET . 17574 1 6 369 ASN . 17574 1 7 370 ALA . 17574 1 8 371 LYS . 17574 1 9 372 ARG . 17574 1 10 373 GLN . 17574 1 11 374 LEU . 17574 1 12 375 TYR . 17574 1 13 376 SER . 17574 1 14 377 LEU . 17574 1 15 378 ILE . 17574 1 16 379 GLY . 17574 1 17 380 TYR . 17574 1 18 381 ALA . 17574 1 19 382 SER . 17574 1 20 383 LEU . 17574 1 21 384 ARG . 17574 1 22 385 LEU . 17574 1 23 386 HIS . 17574 1 24 387 TYR . 17574 1 25 388 VAL . 17574 1 26 389 THR . 17574 1 27 390 VAL . 17574 1 28 391 LYS . 17574 1 29 392 LYS . 17574 1 30 393 PRO . 17574 1 31 394 THR . 17574 1 32 395 ALA . 17574 1 33 396 VAL . 17574 1 34 397 ASP . 17574 1 35 398 PRO . 17574 1 36 399 ASN . 17574 1 37 400 SER . 17574 1 38 401 ILE . 17574 1 39 402 VAL . 17574 1 40 403 GLU . 17574 1 41 404 CYS . 17574 1 42 405 ARG . 17574 1 43 406 VAL . 17574 1 44 407 GLY . 17574 1 45 408 ASP . 17574 1 46 409 GLY . 17574 1 47 410 THR . 17574 1 48 411 VAL . 17574 1 49 412 LEU . 17574 1 50 413 GLY . 17574 1 51 414 THR . 17574 1 52 415 GLY . 17574 1 53 416 VAL . 17574 1 54 417 GLY . 17574 1 55 418 ARG . 17574 1 56 419 ASN . 17574 1 57 420 ILE . 17574 1 58 421 LYS . 17574 1 59 422 ILE . 17574 1 60 423 ALA . 17574 1 61 424 GLY . 17574 1 62 425 ILE . 17574 1 63 426 ARG . 17574 1 64 427 ALA . 17574 1 65 428 ALA . 17574 1 66 429 GLU . 17574 1 67 430 ASN . 17574 1 68 431 ALA . 17574 1 69 432 LEU . 17574 1 70 433 ARG . 17574 1 71 434 ASP . 17574 1 72 435 LYS . 17574 1 73 436 LYS . 17574 1 74 437 MET . 17574 1 75 438 LEU . 17574 1 76 439 ASP . 17574 1 77 440 PHE . 17574 1 78 441 TYR . 17574 1 79 442 ALA . 17574 1 80 443 LYS . 17574 1 81 444 GLN . 17574 1 82 445 ARG . 17574 1 83 446 ALA . 17574 1 84 447 ALA . 17574 1 85 448 ILE . 17574 1 86 449 PRO . 17574 1 87 450 ARG . 17574 1 88 451 SER . 17574 1 89 452 GLU . 17574 1 90 453 SER . 17574 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17574 1 . SER 2 2 17574 1 . LEU 3 3 17574 1 . ASP 4 4 17574 1 . MET 5 5 17574 1 . ASN 6 6 17574 1 . ALA 7 7 17574 1 . LYS 8 8 17574 1 . ARG 9 9 17574 1 . GLN 10 10 17574 1 . LEU 11 11 17574 1 . TYR 12 12 17574 1 . SER 13 13 17574 1 . LEU 14 14 17574 1 . ILE 15 15 17574 1 . GLY 16 16 17574 1 . TYR 17 17 17574 1 . ALA 18 18 17574 1 . SER 19 19 17574 1 . LEU 20 20 17574 1 . ARG 21 21 17574 1 . LEU 22 22 17574 1 . HIS 23 23 17574 1 . TYR 24 24 17574 1 . VAL 25 25 17574 1 . THR 26 26 17574 1 . VAL 27 27 17574 1 . LYS 28 28 17574 1 . LYS 29 29 17574 1 . PRO 30 30 17574 1 . THR 31 31 17574 1 . ALA 32 32 17574 1 . VAL 33 33 17574 1 . ASP 34 34 17574 1 . PRO 35 35 17574 1 . ASN 36 36 17574 1 . SER 37 37 17574 1 . ILE 38 38 17574 1 . VAL 39 39 17574 1 . GLU 40 40 17574 1 . CYS 41 41 17574 1 . ARG 42 42 17574 1 . VAL 43 43 17574 1 . GLY 44 44 17574 1 . ASP 45 45 17574 1 . GLY 46 46 17574 1 . THR 47 47 17574 1 . VAL 48 48 17574 1 . LEU 49 49 17574 1 . GLY 50 50 17574 1 . THR 51 51 17574 1 . GLY 52 52 17574 1 . VAL 53 53 17574 1 . GLY 54 54 17574 1 . ARG 55 55 17574 1 . ASN 56 56 17574 1 . ILE 57 57 17574 1 . LYS 58 58 17574 1 . ILE 59 59 17574 1 . ALA 60 60 17574 1 . GLY 61 61 17574 1 . ILE 62 62 17574 1 . ARG 63 63 17574 1 . ALA 64 64 17574 1 . ALA 65 65 17574 1 . GLU 66 66 17574 1 . ASN 67 67 17574 1 . ALA 68 68 17574 1 . LEU 69 69 17574 1 . ARG 70 70 17574 1 . ASP 71 71 17574 1 . LYS 72 72 17574 1 . LYS 73 73 17574 1 . MET 74 74 17574 1 . LEU 75 75 17574 1 . ASP 76 76 17574 1 . PHE 77 77 17574 1 . TYR 78 78 17574 1 . ALA 79 79 17574 1 . LYS 80 80 17574 1 . GLN 81 81 17574 1 . ARG 82 82 17574 1 . ALA 83 83 17574 1 . ALA 84 84 17574 1 . ILE 85 85 17574 1 . PRO 86 86 17574 1 . ARG 87 87 17574 1 . SER 88 88 17574 1 . GLU 89 89 17574 1 . SER 90 90 17574 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 17574 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'non-canonical RNA substrate' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type 'DNA/RNA hybrid' _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGGAUACCAUGUUCAAGUGA ACGUGGUAUCUC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . G . 17574 2 2 . G . 17574 2 3 . G . 17574 2 4 . A . 17574 2 5 . U . 17574 2 6 . A . 17574 2 7 . C . 17574 2 8 . C . 17574 2 9 . A . 17574 2 10 . U . 17574 2 11 . G . 17574 2 12 . U . 17574 2 13 . U . 17574 2 14 . C . 17574 2 15 . A . 17574 2 16 . A . 17574 2 17 . G . 17574 2 18 . U . 17574 2 19 . G . 17574 2 20 . A . 17574 2 21 . A . 17574 2 22 . C . 17574 2 23 . G . 17574 2 24 . U . 17574 2 25 . G . 17574 2 26 . G . 17574 2 27 . U . 17574 2 28 . A . 17574 2 29 . U . 17574 2 30 . C . 17574 2 31 . U . 17574 2 32 . C . 17574 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 . G 1 1 17574 2 . G 2 2 17574 2 . G 3 3 17574 2 . A 4 4 17574 2 . U 5 5 17574 2 . A 6 6 17574 2 . C 7 7 17574 2 . C 8 8 17574 2 . A 9 9 17574 2 . U 10 10 17574 2 . G 11 11 17574 2 . U 12 12 17574 2 . U 13 13 17574 2 . C 14 14 17574 2 . A 15 15 17574 2 . A 16 16 17574 2 . G 17 17 17574 2 . U 18 18 17574 2 . G 19 19 17574 2 . A 20 20 17574 2 . A 21 21 17574 2 . C 22 22 17574 2 . G 23 23 17574 2 . U 24 24 17574 2 . G 25 25 17574 2 . G 26 26 17574 2 . U 27 27 17574 2 . A 28 28 17574 2 . U 29 29 17574 2 . C 30 30 17574 2 . U 31 31 17574 2 . C 32 32 17574 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17574 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae 'BAKER'S YEAST' . . . . . . . . . . . . . . . RNT1 . . . . 17574 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 17574 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . 562 Escherichia coli . 'ESCHERICHIA COLI BL21' . . . . . . . . . . . . . . PGEX-2T . . . . . . 17574 1 2 2 $entity_2 . 'in vitro transcription' 'in vitro transcription' . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17574 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17574 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . . 0.8 1 mM . . . . 17574 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . . 1 2 mM . . . . 17574 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 17574 1 4 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 17574 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17574 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . . 0.8 1 mM . . . . 17574 2 2 entity_2 'natural abundance' . . 2 $entity_2 . . . 1 2 mM . . . . 17574 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 17574 2 4 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 17574 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17574 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . . 0.8 1 mM . . . . 17574 3 2 entity_2 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . . 1 2 mM . . . . 17574 3 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 17574 3 4 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 17574 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17574 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . . 0.8 1 mM . . . . 17574 4 2 entity_2 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . . 1 2 mM . . . . 17574 4 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 17574 4 4 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 17574 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17574 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 17574 1 pH 6.5 . pH 17574 1 pressure 1 . atm 17574 1 temperature 298 . K 17574 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17574 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.24 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17574 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17574 1 'structure solution' 17574 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17574 _Software.ID 2 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17574 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17574 2 'data analysis' 17574 2 'peak picking' 17574 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17574 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17574 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17574 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17574 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17574 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17574 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17574 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17574 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17574 5 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17574 _Software.ID 6 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17574 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17574 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 17574 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 17574 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17574 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17574 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17574 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17574 _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 DRX . 600 . . . 17574 1 2 spectrometer_2 Bruker DRX . 500 . . . 17574 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 17574 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17574 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17574 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17574 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17574 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17574 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17574 1 7 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17574 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17574 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17574 1 10 '2D 1H-1H COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17574 1 11 '2D FILTERED/EDITED NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17574 1 12 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17574 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17574 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17574 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17574 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17574 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17574 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17574 1 4 '3D CBCA(CO)NH' . . . 17574 1 5 '3D HNCACB' . . . 17574 1 6 '3D HCCH-TOCSY' . . . 17574 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LEU H H 1 8.363 0.02 . 1 . . . B 366 LEU H . 17574 1 2 . 1 1 3 3 LEU HA H 1 4.433 0.02 . 1 . . . B 366 LEU HA . 17574 1 3 . 1 1 3 3 LEU HB2 H 1 1.597 0.02 . 2 . . . B 366 LEU HB2 . 17574 1 4 . 1 1 3 3 LEU HB3 H 1 1.597 0.02 . 2 . . . B 366 LEU HB3 . 17574 1 5 . 1 1 3 3 LEU HG H 1 1.554 0.02 . 1 . . . B 366 LEU HG . 17574 1 6 . 1 1 3 3 LEU HD11 H 1 0.906 0.02 . 4 . . . B 366 LEU HD11 . 17574 1 7 . 1 1 3 3 LEU HD12 H 1 0.906 0.02 . 4 . . . B 366 LEU HD12 . 17574 1 8 . 1 1 3 3 LEU HD13 H 1 0.906 0.02 . 4 . . . B 366 LEU HD13 . 17574 1 9 . 1 1 3 3 LEU HD21 H 1 0.876 0.02 . 2 . . . B 366 LEU HD21 . 17574 1 10 . 1 1 3 3 LEU HD22 H 1 0.876 0.02 . 2 . . . B 366 LEU HD22 . 17574 1 11 . 1 1 3 3 LEU HD23 H 1 0.876 0.02 . 2 . . . B 366 LEU HD23 . 17574 1 12 . 1 1 3 3 LEU C C 13 176.4750 0.30 . 1 . . . B 366 LEU C . 17574 1 13 . 1 1 3 3 LEU CA C 13 55.175 0.30 . 1 . . . B 366 LEU CA . 17574 1 14 . 1 1 3 3 LEU CB C 13 43.423 0.30 . 1 . . . B 366 LEU CB . 17574 1 15 . 1 1 3 3 LEU CG C 13 26.988 0.30 . 1 . . . B 366 LEU CG . 17574 1 16 . 1 1 3 3 LEU CD1 C 13 25 0.30 . 1 . . . B 366 LEU CD1 . 17574 1 17 . 1 1 3 3 LEU CD2 C 13 24.918 0.30 . 1 . . . B 366 LEU CD2 . 17574 1 18 . 1 1 3 3 LEU N N 15 124.2770 0.30 . 1 . . . B 366 LEU N . 17574 1 19 . 1 1 4 4 ASP H H 1 8.496 0.02 . 1 . . . B 367 ASP H . 17574 1 20 . 1 1 4 4 ASP HA H 1 4.588 0.02 . 1 . . . B 367 ASP HA . 17574 1 21 . 1 1 4 4 ASP HB2 H 1 2.606 0.02 . 2 . . . B 367 ASP HB2 . 17574 1 22 . 1 1 4 4 ASP HB3 H 1 2.849 0.02 . 2 . . . B 367 ASP HB3 . 17574 1 23 . 1 1 4 4 ASP C C 13 176.146 0.30 . 1 . . . B 367 ASP C . 17574 1 24 . 1 1 4 4 ASP CA C 13 53.7 0.30 . 1 . . . B 367 ASP CA . 17574 1 25 . 1 1 4 4 ASP CB C 13 40.529 0.30 . 1 . . . B 367 ASP CB . 17574 1 26 . 1 1 4 4 ASP N N 15 122.695 0.30 . 1 . . . B 367 ASP N . 17574 1 27 . 1 1 5 5 MET H H 1 8.264 0.02 . 1 . . . B 368 MET H . 17574 1 28 . 1 1 5 5 MET HA H 1 4.479 0.02 . 1 . . . B 368 MET HA . 17574 1 29 . 1 1 5 5 MET HB2 H 1 2.061 0.02 . 2 . . . B 368 MET HB2 . 17574 1 30 . 1 1 5 5 MET HB3 H 1 2.061 0.02 . 2 . . . B 368 MET HB3 . 17574 1 31 . 1 1 5 5 MET C C 13 176.53 0.30 . 1 . . . B 368 MET C . 17574 1 32 . 1 1 5 5 MET CA C 13 55.273 0.30 . 1 . . . B 368 MET CA . 17574 1 33 . 1 1 5 5 MET CB C 13 31.485 0.30 . 1 . . . B 368 MET CB . 17574 1 34 . 1 1 5 5 MET N N 15 121.233 0.30 . 1 . . . B 368 MET N . 17574 1 35 . 1 1 6 6 ASN H H 1 8.367 0.02 . 1 . . . B 369 ASN H . 17574 1 36 . 1 1 6 6 ASN HA H 1 4.896 0.02 . 1 . . . B 369 ASN HA . 17574 1 37 . 1 1 6 6 ASN HB2 H 1 2.856 0.02 . 2 . . . B 369 ASN HB2 . 17574 1 38 . 1 1 6 6 ASN HB3 H 1 2.931 0.02 . 2 . . . B 369 ASN HB3 . 17574 1 39 . 1 1 6 6 ASN HD21 H 1 7.868 0.02 . 2 . . . B 369 ASN HD21 . 17574 1 40 . 1 1 6 6 ASN HD22 H 1 7.037 0.02 . 2 . . . B 369 ASN HD22 . 17574 1 41 . 1 1 6 6 ASN CA C 13 52.914 0.30 . 1 . . . B 369 ASN CA . 17574 1 42 . 1 1 6 6 ASN CB C 13 39.349 0.30 . 1 . . . B 369 ASN CB . 17574 1 43 . 1 1 6 6 ASN N N 15 119.001 0.30 . 1 . . . B 369 ASN N . 17574 1 44 . 1 1 6 6 ASN ND2 N 15 114.583 0.30 . 1 . . . B 369 ASN ND2 . 17574 1 45 . 1 1 7 7 ALA H H 1 8.278 0.02 . 1 . . . B 370 ALA H . 17574 1 46 . 1 1 7 7 ALA HA H 1 4.009 0.02 . 1 . . . B 370 ALA HA . 17574 1 47 . 1 1 7 7 ALA HB1 H 1 1.515 0.02 . 1 . . . B 370 ALA HB1 . 17574 1 48 . 1 1 7 7 ALA HB2 H 1 1.515 0.02 . 1 . . . B 370 ALA HB2 . 17574 1 49 . 1 1 7 7 ALA HB3 H 1 1.515 0.02 . 1 . . . B 370 ALA HB3 . 17574 1 50 . 1 1 7 7 ALA C C 13 179.188 0.30 . 1 . . . B 370 ALA C . 17574 1 51 . 1 1 7 7 ALA CA C 13 56.256 0.30 . 1 . . . B 370 ALA CA . 17574 1 52 . 1 1 7 7 ALA CB C 13 20.083 0.30 . 1 . . . B 370 ALA CB . 17574 1 53 . 1 1 7 7 ALA N N 15 123.211 0.30 . 1 . . . B 370 ALA N . 17574 1 54 . 1 1 8 8 LYS H H 1 8.009 0.02 . 1 . . . B 371 LYS H . 17574 1 55 . 1 1 8 8 LYS CA C 13 60.402 0.30 . 1 . . . B 371 LYS CA . 17574 1 56 . 1 1 8 8 LYS CB C 13 32.471 0.30 . 1 . . . B 371 LYS CB . 17574 1 57 . 1 1 8 8 LYS N N 15 114.133 0.30 . 1 . . . B 371 LYS N . 17574 1 58 . 1 1 9 9 ARG HA H 1 4.185 0.02 . 1 . . . B 372 ARG HA . 17574 1 59 . 1 1 9 9 ARG HB2 H 1 1.975 0.02 . 2 . . . B 372 ARG HB2 . 17574 1 60 . 1 1 9 9 ARG HB3 H 1 1.975 0.02 . 2 . . . B 372 ARG HB3 . 17574 1 61 . 1 1 9 9 ARG HD2 H 1 3.135 0.02 . 2 . . . B 372 ARG HD2 . 17574 1 62 . 1 1 9 9 ARG HD3 H 1 3.135 0.02 . 2 . . . B 372 ARG HD3 . 17574 1 63 . 1 1 9 9 ARG C C 13 179.188 0.30 . 1 . . . B 372 ARG C . 17574 1 64 . 1 1 9 9 ARG CA C 13 58.713 0.30 . 1 . . . B 372 ARG CA . 17574 1 65 . 1 1 9 9 ARG CB C 13 29.716 0.30 . 1 . . . B 372 ARG CB . 17574 1 66 . 1 1 9 9 ARG CD C 13 43.423 0.30 . 1 . . . B 372 ARG CD . 17574 1 67 . 1 1 10 10 GLN H H 1 8.574 0.02 . 1 . . . B 373 GLN H . 17574 1 68 . 1 1 10 10 GLN HA H 1 4.102 0.02 . 1 . . . B 373 GLN HA . 17574 1 69 . 1 1 10 10 GLN HB2 H 1 2.050 0.02 . 2 . . . B 373 GLN HB2 . 17574 1 70 . 1 1 10 10 GLN HB3 H 1 2.137 0.02 . 2 . . . B 373 GLN HB3 . 17574 1 71 . 1 1 10 10 GLN HG2 H 1 2.360 0.02 . 2 . . . B 373 GLN HG2 . 17574 1 72 . 1 1 10 10 GLN HG3 H 1 2.360 0.02 . 2 . . . B 373 GLN HG3 . 17574 1 73 . 1 1 10 10 GLN HE21 H 1 7.136 0.02 . 2 . . . B 373 GLN HE21 . 17574 1 74 . 1 1 10 10 GLN HE22 H 1 6.892 0.02 . 2 . . . B 373 GLN HE22 . 17574 1 75 . 1 1 10 10 GLN C C 13 178.859 0.30 . 1 . . . B 373 GLN C . 17574 1 76 . 1 1 10 10 GLN CA C 13 58.662 0.30 . 1 . . . B 373 GLN CA . 17574 1 77 . 1 1 10 10 GLN CB C 13 28.34 0.30 . 1 . . . B 373 GLN CB . 17574 1 78 . 1 1 10 10 GLN CG C 13 33.46 0.30 . 1 . . . B 373 GLN CG . 17574 1 79 . 1 1 10 10 GLN N N 15 121.476 0.30 . 1 . . . B 373 GLN N . 17574 1 80 . 1 1 10 10 GLN NE2 N 15 110.407 0.30 . 1 . . . B 373 GLN NE2 . 17574 1 81 . 1 1 11 11 LEU H H 1 8.404 0.02 . 1 . . . B 374 LEU H . 17574 1 82 . 1 1 11 11 LEU HA H 1 4.084 0.02 . 1 . . . B 374 LEU HA . 17574 1 83 . 1 1 11 11 LEU HB2 H 1 1.506 0.02 . 2 . . . B 374 LEU HB2 . 17574 1 84 . 1 1 11 11 LEU HB3 H 1 1.931 0.02 . 2 . . . B 374 LEU HB3 . 17574 1 85 . 1 1 11 11 LEU HG H 1 1.881 0.02 . 1 . . . B 374 LEU HG . 17574 1 86 . 1 1 11 11 LEU HD11 H 1 0.949 0.02 . 4 . . . B 374 LEU HD11 . 17574 1 87 . 1 1 11 11 LEU HD12 H 1 0.949 0.02 . 4 . . . B 374 LEU HD12 . 17574 1 88 . 1 1 11 11 LEU HD13 H 1 0.949 0.02 . 4 . . . B 374 LEU HD13 . 17574 1 89 . 1 1 11 11 LEU HD21 H 1 0.807 0.02 . 4 . . . B 374 LEU HD21 . 17574 1 90 . 1 1 11 11 LEU HD22 H 1 0.807 0.02 . 4 . . . B 374 LEU HD22 . 17574 1 91 . 1 1 11 11 LEU HD23 H 1 0.807 0.02 . 4 . . . B 374 LEU HD23 . 17574 1 92 . 1 1 11 11 LEU C C 13 178.01 0.30 . 1 . . . B 374 LEU C . 17574 1 93 . 1 1 11 11 LEU CA C 13 58.662 0.30 . 1 . . . B 374 LEU CA . 17574 1 94 . 1 1 11 11 LEU CB C 13 41.665 0.30 . 1 . . . B 374 LEU CB . 17574 1 95 . 1 1 11 11 LEU CG C 13 27.013 0.30 . 1 . . . B 374 LEU CG . 17574 1 96 . 1 1 11 11 LEU CD1 C 13 25.84 0.30 . 1 . . . B 374 LEU CD1 . 17574 1 97 . 1 1 11 11 LEU CD2 C 13 24.082 0.30 . 1 . . . B 374 LEU CD2 . 17574 1 98 . 1 1 11 11 LEU N N 15 119.88 0.30 . 1 . . . B 374 LEU N . 17574 1 99 . 1 1 12 12 TYR H H 1 7.923 0.02 . 1 . . . B 375 TYR H . 17574 1 100 . 1 1 12 12 TYR HA H 1 3.512 0.02 . 1 . . . B 375 TYR HA . 17574 1 101 . 1 1 12 12 TYR HB2 H 1 3.070 0.02 . 2 . . . B 375 TYR HB2 . 17574 1 102 . 1 1 12 12 TYR HB3 H 1 3.131 0.02 . 2 . . . B 375 TYR HB3 . 17574 1 103 . 1 1 12 12 TYR C C 13 178.749 0.30 . 1 . . . B 375 TYR C . 17574 1 104 . 1 1 12 12 TYR CA C 13 62.743 0.30 . 1 . . . B 375 TYR CA . 17574 1 105 . 1 1 12 12 TYR CB C 13 37.776 0.30 . 1 . . . B 375 TYR CB . 17574 1 106 . 1 1 12 12 TYR N N 15 118.394 0.30 . 1 . . . B 375 TYR N . 17574 1 107 . 1 1 13 13 SER H H 1 8.527 0.02 . 1 . . . B 376 SER H . 17574 1 108 . 1 1 13 13 SER HA H 1 4.237 0.02 . 1 . . . B 376 SER HA . 17574 1 109 . 1 1 13 13 SER HB2 H 1 4.068 0.02 . 2 . . . B 376 SER HB2 . 17574 1 110 . 1 1 13 13 SER HB3 H 1 4.068 0.02 . 2 . . . B 376 SER HB3 . 17574 1 111 . 1 1 13 13 SER C C 13 175.845 0.30 . 1 . . . B 376 SER C . 17574 1 112 . 1 1 13 13 SER CA C 13 61.694 0.30 . 1 . . . B 376 SER CA . 17574 1 113 . 1 1 13 13 SER CB C 13 62.788 0.30 . 1 . . . B 376 SER CB . 17574 1 114 . 1 1 13 13 SER N N 15 114.983 0.30 . 1 . . . B 376 SER N . 17574 1 115 . 1 1 14 14 LEU H H 1 7.558 0.02 . 1 . . . B 377 LEU H . 17574 1 116 . 1 1 14 14 LEU HA H 1 4.320 0.02 . 1 . . . B 377 LEU HA . 17574 1 117 . 1 1 14 14 LEU HB2 H 1 1.521 0.02 . 2 . . . B 377 LEU HB2 . 17574 1 118 . 1 1 14 14 LEU HB3 H 1 1.928 0.02 . 2 . . . B 377 LEU HB3 . 17574 1 119 . 1 1 14 14 LEU HG H 1 1.835 0.02 . 1 . . . B 377 LEU HG . 17574 1 120 . 1 1 14 14 LEU HD11 H 1 0.906 0.02 . 4 . . . B 377 LEU HD11 . 17574 1 121 . 1 1 14 14 LEU HD12 H 1 0.906 0.02 . 4 . . . B 377 LEU HD12 . 17574 1 122 . 1 1 14 14 LEU HD13 H 1 0.906 0.02 . 4 . . . B 377 LEU HD13 . 17574 1 123 . 1 1 14 14 LEU HD21 H 1 0.899 0.02 . 4 . . . B 377 LEU HD21 . 17574 1 124 . 1 1 14 14 LEU HD22 H 1 0.899 0.02 . 4 . . . B 377 LEU HD22 . 17574 1 125 . 1 1 14 14 LEU HD23 H 1 0.899 0.02 . 4 . . . B 377 LEU HD23 . 17574 1 126 . 1 1 14 14 LEU C C 13 178.475 0.30 . 1 . . . B 377 LEU C . 17574 1 127 . 1 1 14 14 LEU CA C 13 57.489 0.30 . 1 . . . B 377 LEU CA . 17574 1 128 . 1 1 14 14 LEU CB C 13 44.009 0.30 . 1 . . . B 377 LEU CB . 17574 1 129 . 1 1 14 14 LEU N N 15 120.876 0.30 . 1 . . . B 377 LEU N . 17574 1 130 . 1 1 15 15 ILE H H 1 7.412 0.02 . 1 . . . B 378 ILE H . 17574 1 131 . 1 1 15 15 ILE HA H 1 4.578 0.02 . 1 . . . B 378 ILE HA . 17574 1 132 . 1 1 15 15 ILE HB H 1 2.076 0.02 . 1 . . . B 378 ILE HB . 17574 1 133 . 1 1 15 15 ILE HG12 H 1 2.064 0.02 . 1 . . . B 378 ILE HG12 . 17574 1 134 . 1 1 15 15 ILE HG13 H 1 2.111 0.02 . 1 . . . B 378 ILE HG13 . 17574 1 135 . 1 1 15 15 ILE HG21 H 1 0.447 0.02 . 1 . . . B 378 ILE HG21 . 17574 1 136 . 1 1 15 15 ILE HG22 H 1 0.447 0.02 . 1 . . . B 378 ILE HG22 . 17574 1 137 . 1 1 15 15 ILE HG23 H 1 0.447 0.02 . 1 . . . B 378 ILE HG23 . 17574 1 138 . 1 1 15 15 ILE HD11 H 1 0.916 0.02 . 4 . . . B 378 ILE HD11 . 17574 1 139 . 1 1 15 15 ILE HD12 H 1 0.916 0.02 . 4 . . . B 378 ILE HD12 . 17574 1 140 . 1 1 15 15 ILE HD13 H 1 0.916 0.02 . 4 . . . B 378 ILE HD13 . 17574 1 141 . 1 1 15 15 ILE C C 13 174.777 0.30 . 1 . . . B 378 ILE C . 17574 1 142 . 1 1 15 15 ILE CA C 13 60.679 0.30 . 1 . . . B 378 ILE CA . 17574 1 143 . 1 1 15 15 ILE CB C 13 41.315 0.30 . 1 . . . B 378 ILE CB . 17574 1 144 . 1 1 15 15 ILE CG1 C 13 19.394 0.30 . 2 . . . B 378 ILE CG1 . 17574 1 145 . 1 1 15 15 ILE CG2 C 13 19.394 0.30 . 2 . . . B 378 ILE CG2 . 17574 1 146 . 1 1 15 15 ILE CD1 C 13 14.705 0.30 . 1 . . . B 378 ILE CD1 . 17574 1 147 . 1 1 15 15 ILE N N 15 106.073 0.30 . 1 . . . B 378 ILE N . 17574 1 148 . 1 1 16 16 GLY H H 1 8.306 0.02 . 1 . . . B 379 GLY H . 17574 1 149 . 1 1 16 16 GLY HA2 H 1 3.099 0.02 . 2 . . . B 379 GLY HA2 . 17574 1 150 . 1 1 16 16 GLY HA3 H 1 3.521 0.02 . 2 . . . B 379 GLY HA3 . 17574 1 151 . 1 1 16 16 GLY C C 13 173.653 0.30 . 1 . . . B 379 GLY C . 17574 1 152 . 1 1 16 16 GLY CA C 13 45.935 0.30 . 1 . . . B 379 GLY CA . 17574 1 153 . 1 1 16 16 GLY N N 15 108.698 0.30 . 1 . . . B 379 GLY N . 17574 1 154 . 1 1 17 17 TYR H H 1 6.596 0.02 . 1 . . . B 380 TYR H . 17574 1 155 . 1 1 17 17 TYR HA H 1 4.715 0.02 . 1 . . . B 380 TYR HA . 17574 1 156 . 1 1 17 17 TYR HB2 H 1 3.401 0.02 . 2 . . . B 380 TYR HB2 . 17574 1 157 . 1 1 17 17 TYR HB3 H 1 3.446 0.02 . 2 . . . B 380 TYR HB3 . 17574 1 158 . 1 1 17 17 TYR HD1 H 1 7.181 0.02 . 2 . . . B 380 TYR HD1 . 17574 1 159 . 1 1 17 17 TYR HD2 H 1 7.181 0.02 . 2 . . . B 380 TYR HD2 . 17574 1 160 . 1 1 17 17 TYR HE1 H 1 6.871 0.02 . 2 . . . B 380 TYR HE1 . 17574 1 161 . 1 1 17 17 TYR HE2 H 1 6.866 0.02 . 2 . . . B 380 TYR HE2 . 17574 1 162 . 1 1 17 17 TYR CA C 13 56.317 0.30 . 1 . . . B 380 TYR CA . 17574 1 163 . 1 1 17 17 TYR CB C 13 38.037 0.30 . 1 . . . B 380 TYR CB . 17574 1 164 . 1 1 17 17 TYR N N 15 114.973 0.30 . 1 . . . B 380 TYR N . 17574 1 165 . 1 1 18 18 ALA HA H 1 4.268 0.02 . 1 . . . B 381 ALA HA . 17574 1 166 . 1 1 18 18 ALA HB1 H 1 1.640 0.02 . 1 . . . B 381 ALA HB1 . 17574 1 167 . 1 1 18 18 ALA HB2 H 1 1.640 0.02 . 1 . . . B 381 ALA HB2 . 17574 1 168 . 1 1 18 18 ALA HB3 H 1 1.640 0.02 . 1 . . . B 381 ALA HB3 . 17574 1 169 . 1 1 18 18 ALA C C 13 180.585 0.30 . 1 . . . B 381 ALA C . 17574 1 170 . 1 1 18 18 ALA CA C 13 56.944 0.30 . 1 . . . B 381 ALA CA . 17574 1 171 . 1 1 18 18 ALA CB C 13 18.221 0.30 . 1 . . . B 381 ALA CB . 17574 1 172 . 1 1 19 19 SER H H 1 8.650 0.02 . 1 . . . B 382 SER H . 17574 1 173 . 1 1 19 19 SER HA H 1 4.038 0.02 . 1 . . . B 382 SER HA . 17574 1 174 . 1 1 19 19 SER C C 13 174.283 0.30 . 1 . . . B 382 SER C . 17574 1 175 . 1 1 19 19 SER CA C 13 60.188 0.30 . 1 . . . B 382 SER CA . 17574 1 176 . 1 1 19 19 SER CB C 13 62.743 0.30 . 1 . . . B 382 SER CB . 17574 1 177 . 1 1 19 19 SER N N 15 110.362 0.30 . 1 . . . B 382 SER N . 17574 1 178 . 1 1 20 20 LEU H H 1 6.850 0.02 . 1 . . . B 383 LEU H . 17574 1 179 . 1 1 20 20 LEU HA H 1 3.763 0.02 . 1 . . . B 383 LEU HA . 17574 1 180 . 1 1 20 20 LEU HG H 1 1.368 0.02 . 1 . . . B 383 LEU HG . 17574 1 181 . 1 1 20 20 LEU HD11 H 1 0.897 0.02 . 4 . . . B 383 LEU HD11 . 17574 1 182 . 1 1 20 20 LEU HD12 H 1 0.897 0.02 . 4 . . . B 383 LEU HD12 . 17574 1 183 . 1 1 20 20 LEU HD13 H 1 0.897 0.02 . 4 . . . B 383 LEU HD13 . 17574 1 184 . 1 1 20 20 LEU HD21 H 1 0.669 0.02 . 4 . . . B 383 LEU HD21 . 17574 1 185 . 1 1 20 20 LEU HD22 H 1 0.669 0.02 . 4 . . . B 383 LEU HD22 . 17574 1 186 . 1 1 20 20 LEU HD23 H 1 0.669 0.02 . 4 . . . B 383 LEU HD23 . 17574 1 187 . 1 1 20 20 LEU C C 13 176.475 0.30 . 1 . . . B 383 LEU C . 17574 1 188 . 1 1 20 20 LEU CA C 13 56.059 0.30 . 1 . . . B 383 LEU CA . 17574 1 189 . 1 1 20 20 LEU CB C 13 41.315 0.30 . 1 . . . B 383 LEU CB . 17574 1 190 . 1 1 20 20 LEU CD1 C 13 22.32 0.30 . 1 . . . B 383 LEU CD1 . 17574 1 191 . 1 1 20 20 LEU CD2 C 13 27.013 0.30 . 1 . . . B 383 LEU CD2 . 17574 1 192 . 1 1 20 20 LEU N N 15 124.552 0.30 . 1 . . . B 383 LEU N . 17574 1 193 . 1 1 21 21 ARG H H 1 7.527 0.02 . 1 . . . B 384 ARG H . 17574 1 194 . 1 1 21 21 ARG HA H 1 3.871 0.02 . 1 . . . B 384 ARG HA . 17574 1 195 . 1 1 21 21 ARG HB3 H 1 1.520 0.02 . 2 . . . B 384 ARG HB3 . 17574 1 196 . 1 1 21 21 ARG HG3 H 1 1.861 0.02 . 2 . . . B 384 ARG HG3 . 17574 1 197 . 1 1 21 21 ARG HD3 H 1 3.142 0.02 . 2 . . . B 384 ARG HD3 . 17574 1 198 . 1 1 21 21 ARG C C 13 175.105 0.30 . 1 . . . B 384 ARG C . 17574 1 199 . 1 1 21 21 ARG CA C 13 56.317 0.30 . 1 . . . B 384 ARG CA . 17574 1 200 . 1 1 21 21 ARG CB C 13 27.16 0.30 . 1 . . . B 384 ARG CB . 17574 1 201 . 1 1 21 21 ARG CG C 13 31.220 0.30 . 1 . . . B 384 ARG CG . 17574 1 202 . 1 1 21 21 ARG CD C 13 43.423 0.30 . 1 . . . B 384 ARG CD . 17574 1 203 . 1 1 21 21 ARG N N 15 113.79 0.30 . 1 . . . B 384 ARG N . 17574 1 204 . 1 1 22 22 LEU H H 1 8.528 0.02 . 1 . . . B 385 LEU H . 17574 1 205 . 1 1 22 22 LEU HA H 1 4.741 0.02 . 1 . . . B 385 LEU HA . 17574 1 206 . 1 1 22 22 LEU HB2 H 1 1.271 0.02 . 2 . . . B 385 LEU HB2 . 17574 1 207 . 1 1 22 22 LEU HB3 H 1 1.787 0.02 . 2 . . . B 385 LEU HB3 . 17574 1 208 . 1 1 22 22 LEU HG H 1 1.318 0.02 . 1 . . . B 385 LEU HG . 17574 1 209 . 1 1 22 22 LEU HD11 H 1 0.694 0.02 . 4 . . . B 385 LEU HD11 . 17574 1 210 . 1 1 22 22 LEU HD12 H 1 0.694 0.02 . 4 . . . B 385 LEU HD12 . 17574 1 211 . 1 1 22 22 LEU HD13 H 1 0.694 0.02 . 4 . . . B 385 LEU HD13 . 17574 1 212 . 1 1 22 22 LEU HD21 H 1 0.543 0.02 . 4 . . . B 385 LEU HD21 . 17574 1 213 . 1 1 22 22 LEU HD22 H 1 0.543 0.02 . 4 . . . B 385 LEU HD22 . 17574 1 214 . 1 1 22 22 LEU HD23 H 1 0.543 0.02 . 4 . . . B 385 LEU HD23 . 17574 1 215 . 1 1 22 22 LEU C C 13 177.215 0.30 . 1 . . . B 385 LEU C . 17574 1 216 . 1 1 22 22 LEU CA C 13 56.059 0.30 . 1 . . . B 385 LEU CA . 17574 1 217 . 1 1 22 22 LEU CB C 13 42.837 0.30 . 1 . . . B 385 LEU CB . 17574 1 218 . 1 1 22 22 LEU CG C 13 27.599 0.30 . 1 . . . B 385 LEU CG . 17574 1 219 . 1 1 22 22 LEU CD1 C 13 25.841 0.30 . 1 . . . B 385 LEU CD1 . 17574 1 220 . 1 1 22 22 LEU CD2 C 13 25.254 0.30 . 1 . . . B 385 LEU CD2 . 17574 1 221 . 1 1 22 22 LEU N N 15 124.897 0.30 . 1 . . . B 385 LEU N . 17574 1 222 . 1 1 23 23 HIS H H 1 9.477 0.02 . 1 . . . B 386 HIS H . 17574 1 223 . 1 1 23 23 HIS HA H 1 4.871 0.02 . 1 . . . B 386 HIS HA . 17574 1 224 . 1 1 23 23 HIS HB2 H 1 3.035 0.02 . 2 . . . B 386 HIS HB2 . 17574 1 225 . 1 1 23 23 HIS HB3 H 1 3.035 0.02 . 2 . . . B 386 HIS HB3 . 17574 1 226 . 1 1 23 23 HIS CA C 13 54.978 0.30 . 1 . . . B 386 HIS CA . 17574 1 227 . 1 1 23 23 HIS CB C 13 30.207 0.30 . 1 . . . B 386 HIS CB . 17574 1 228 . 1 1 23 23 HIS N N 15 125.704 0.30 . 1 . . . B 386 HIS N . 17574 1 229 . 1 1 24 24 TYR H H 1 8.721 0.02 . 1 . . . B 387 TYR H . 17574 1 230 . 1 1 24 24 TYR HA H 1 5.058 0.02 . 1 . . . B 387 TYR HA . 17574 1 231 . 1 1 24 24 TYR HB2 H 1 2.572 0.02 . 2 . . . B 387 TYR HB2 . 17574 1 232 . 1 1 24 24 TYR HB3 H 1 2.771 0.02 . 2 . . . B 387 TYR HB3 . 17574 1 233 . 1 1 24 24 TYR HD1 H 1 6.947 0.02 . 2 . . . B 387 TYR HD1 . 17574 1 234 . 1 1 24 24 TYR HD2 H 1 6.951 0.02 . 2 . . . B 387 TYR HD2 . 17574 1 235 . 1 1 24 24 TYR HE1 H 1 6.687 0.02 . 1 . . . B 387 TYR HE1 . 17574 1 236 . 1 1 24 24 TYR HE2 H 1 6.690 0.02 . 1 . . . B 387 TYR HE2 . 17574 1 237 . 1 1 24 24 TYR C C 13 176.037 0.30 . 1 . . . B 387 TYR C . 17574 1 238 . 1 1 24 24 TYR CA C 13 57.435 0.30 . 1 . . . B 387 TYR CA . 17574 1 239 . 1 1 24 24 TYR CB C 13 39.054 0.30 . 1 . . . B 387 TYR CB . 17574 1 240 . 1 1 24 24 TYR N N 15 119.291 0.30 . 1 . . . B 387 TYR N . 17574 1 241 . 1 1 25 25 VAL H H 1 9.284 0.02 . 1 . . . B 388 VAL H . 17574 1 242 . 1 1 25 25 VAL HA H 1 4.363 0.02 . 1 . . . B 388 VAL HA . 17574 1 243 . 1 1 25 25 VAL HB H 1 1.787 0.02 . 1 . . . B 388 VAL HB . 17574 1 244 . 1 1 25 25 VAL HG11 H 1 0.869 0.02 . 4 . . . B 388 VAL HG11 . 17574 1 245 . 1 1 25 25 VAL HG12 H 1 0.869 0.02 . 4 . . . B 388 VAL HG12 . 17574 1 246 . 1 1 25 25 VAL HG13 H 1 0.869 0.02 . 4 . . . B 388 VAL HG13 . 17574 1 247 . 1 1 25 25 VAL HG21 H 1 0.920 0.02 . 4 . . . B 388 VAL HG21 . 17574 1 248 . 1 1 25 25 VAL HG22 H 1 0.920 0.02 . 4 . . . B 388 VAL HG22 . 17574 1 249 . 1 1 25 25 VAL HG23 H 1 0.920 0.02 . 4 . . . B 388 VAL HG23 . 17574 1 250 . 1 1 25 25 VAL C C 13 175.16 0.30 . 1 . . . B 388 VAL C . 17574 1 251 . 1 1 25 25 VAL CA C 13 61.006 0.30 . 1 . . . B 388 VAL CA . 17574 1 252 . 1 1 25 25 VAL CB C 13 35.804 0.30 . 1 . . . B 388 VAL CB . 17574 1 253 . 1 1 25 25 VAL CG1 C 13 22.324 0.30 . 1 . . . B 388 VAL CG1 . 17574 1 254 . 1 1 25 25 VAL CG2 C 13 22.324 0.30 . 1 . . . B 388 VAL CG2 . 17574 1 255 . 1 1 25 25 VAL N N 15 124.632 0.30 . 1 . . . B 388 VAL N . 17574 1 256 . 1 1 26 26 THR H H 1 9.250 0.02 . 1 . . . B 389 THR H . 17574 1 257 . 1 1 26 26 THR HA H 1 4.450 0.02 . 1 . . . B 389 THR HA . 17574 1 258 . 1 1 26 26 THR HB H 1 4.161 0.02 . 1 . . . B 389 THR HB . 17574 1 259 . 1 1 26 26 THR HG21 H 1 1.087 0.02 . 1 . . . B 389 THR HG1 . 17574 1 260 . 1 1 26 26 THR HG22 H 1 1.087 0.02 . 1 . . . B 389 THR HG1 . 17574 1 261 . 1 1 26 26 THR HG23 H 1 1.087 0.02 . 1 . . . B 389 THR HG1 . 17574 1 262 . 1 1 26 26 THR C C 13 174.338 0.30 . 1 . . . B 389 THR C . 17574 1 263 . 1 1 26 26 THR CA C 13 63.038 0.30 . 1 . . . B 389 THR CA . 17574 1 264 . 1 1 26 26 THR CB C 13 67.756 0.30 . 1 . . . B 389 THR CB . 17574 1 265 . 1 1 26 26 THR CG2 C 13 19.39 0.30 . 1 . . . B 389 THR CG2 . 17574 1 266 . 1 1 26 26 THR N N 15 126.701 0.30 . 1 . . . B 389 THR N . 17574 1 267 . 1 1 27 27 VAL H H 1 8.727 0.02 . 1 . . . B 390 VAL H . 17574 1 268 . 1 1 27 27 VAL HA H 1 4.181 0.02 . 1 . . . B 390 VAL HA . 17574 1 269 . 1 1 27 27 VAL HB H 1 1.974 0.02 . 1 . . . B 390 VAL HB . 17574 1 270 . 1 1 27 27 VAL HG11 H 1 0.811 0.02 . 4 . . . B 390 VAL HG11 . 17574 1 271 . 1 1 27 27 VAL HG12 H 1 0.811 0.02 . 4 . . . B 390 VAL HG12 . 17574 1 272 . 1 1 27 27 VAL HG13 H 1 0.811 0.02 . 4 . . . B 390 VAL HG13 . 17574 1 273 . 1 1 27 27 VAL HG21 H 1 0.847 0.02 . 4 . . . B 390 VAL HG21 . 17574 1 274 . 1 1 27 27 VAL HG22 H 1 0.847 0.02 . 4 . . . B 390 VAL HG22 . 17574 1 275 . 1 1 27 27 VAL HG23 H 1 0.847 0.02 . 4 . . . B 390 VAL HG23 . 17574 1 276 . 1 1 27 27 VAL C C 13 175.9 0.30 . 1 . . . B 390 VAL C . 17574 1 277 . 1 1 27 27 VAL CA C 13 62.764 0.30 . 1 . . . B 390 VAL CA . 17574 1 278 . 1 1 27 27 VAL CB C 13 32.288 0.30 . 1 . . . B 390 VAL CB . 17574 1 279 . 1 1 27 27 VAL CG1 C 13 19.98 0.30 . 1 . . . B 390 VAL CG1 . 17574 1 280 . 1 1 27 27 VAL CG2 C 13 20.566 0.30 . 2 . . . B 390 VAL CG2 . 17574 1 281 . 1 1 27 27 VAL N N 15 127.797 0.30 . 1 . . . B 390 VAL N . 17574 1 282 . 1 1 28 28 LYS H H 1 7.894 0.02 . 1 . . . B 391 LYS H . 17574 1 283 . 1 1 28 28 LYS HA H 1 4.573 0.02 . 1 . . . B 391 LYS HA . 17574 1 284 . 1 1 28 28 LYS HB2 H 1 1.511 0.02 . 2 . . . B 391 LYS HB2 . 17574 1 285 . 1 1 28 28 LYS HB3 H 1 1.844 0.02 . 2 . . . B 391 LYS HB3 . 17574 1 286 . 1 1 28 28 LYS HE2 H 1 2.978 0.02 . 2 . . . B 391 LYS HE2 . 17574 1 287 . 1 1 28 28 LYS HE3 H 1 2.978 0.02 . 2 . . . B 391 LYS HE3 . 17574 1 288 . 1 1 28 28 LYS C C 13 174.53 0.30 . 1 . . . B 391 LYS C . 17574 1 289 . 1 1 28 28 LYS CA C 13 56.452 0.30 . 1 . . . B 391 LYS CA . 17574 1 290 . 1 1 28 28 LYS CB C 13 35.909 0.30 . 1 . . . B 391 LYS CB . 17574 1 291 . 1 1 28 28 LYS CE C 13 38.735 0.30 . 1 . . . B 391 LYS CE . 17574 1 292 . 1 1 28 28 LYS N N 15 121.719 0.30 . 1 . . . B 391 LYS N . 17574 1 293 . 1 1 29 29 LYS H H 1 8.764 0.02 . 1 . . . B 392 LYS H . 17574 1 294 . 1 1 29 29 LYS HA H 1 4.580 0.02 . 1 . . . B 392 LYS HA . 17574 1 295 . 1 1 29 29 LYS HB2 H 1 1.551 0.02 . 2 . . . B 392 LYS HB2 . 17574 1 296 . 1 1 29 29 LYS HB3 H 1 1.551 0.02 . 2 . . . B 392 LYS HB3 . 17574 1 297 . 1 1 29 29 LYS CA C 13 54.239 0.30 . 1 . . . B 392 LYS CA . 17574 1 298 . 1 1 29 29 LYS CB C 13 32.073 0.30 . 1 . . . B 392 LYS CB . 17574 1 299 . 1 1 29 29 LYS N N 15 127.977 0.30 . 1 . . . B 392 LYS N . 17574 1 300 . 1 1 30 30 PRO HA H 1 4.450 0.02 . 1 . . . B 393 PRO HA . 17574 1 301 . 1 1 30 30 PRO HB2 H 1 1.930 0.02 . 2 . . . B 393 PRO HB2 . 17574 1 302 . 1 1 30 30 PRO HB3 H 1 2.219 0.02 . 2 . . . B 393 PRO HB3 . 17574 1 303 . 1 1 30 30 PRO C C 13 176.448 0.30 . 1 . . . B 393 PRO C . 17574 1 304 . 1 1 30 30 PRO CA C 13 62.726 0.30 . 1 . . . B 393 PRO CA . 17574 1 305 . 1 1 30 30 PRO CB C 13 32.468 0.30 . 1 . . . B 393 PRO CB . 17574 1 306 . 1 1 31 31 THR H H 1 8.278 0.02 . 1 . . . B 394 THR H . 17574 1 307 . 1 1 31 31 THR HA H 1 4.741 0.02 . 1 . . . B 394 THR HA . 17574 1 308 . 1 1 31 31 THR HB H 1 4.627 0.02 . 1 . . . B 394 THR HB . 17574 1 309 . 1 1 31 31 THR HG21 H 1 1.287 0.02 . 1 . . . B 394 THR HG1 . 17574 1 310 . 1 1 31 31 THR HG22 H 1 1.287 0.02 . 1 . . . B 394 THR HG1 . 17574 1 311 . 1 1 31 31 THR HG23 H 1 1.287 0.02 . 1 . . . B 394 THR HG1 . 17574 1 312 . 1 1 31 31 THR C C 13 180.557 0.30 . 1 . . . B 394 THR C . 17574 1 313 . 1 1 31 31 THR CA C 13 59.598 0.30 . 1 . . . B 394 THR CA . 17574 1 314 . 1 1 31 31 THR CB C 13 72.769 0.30 . 1 . . . B 394 THR CB . 17574 1 315 . 1 1 31 31 THR CG2 C 13 21.868 0.30 . 1 . . . B 394 THR CG2 . 17574 1 316 . 1 1 31 31 THR N N 15 113.381 0.30 . 1 . . . B 394 THR N . 17574 1 317 . 1 1 32 32 ALA H H 1 8.627 0.02 . 1 . . . B 395 ALA H . 17574 1 318 . 1 1 32 32 ALA HA H 1 4.092 0.02 . 1 . . . B 395 ALA HA . 17574 1 319 . 1 1 32 32 ALA HB1 H 1 1.459 0.02 . 1 . . . B 395 ALA HB1 . 17574 1 320 . 1 1 32 32 ALA HB2 H 1 1.459 0.02 . 1 . . . B 395 ALA HB2 . 17574 1 321 . 1 1 32 32 ALA HB3 H 1 1.459 0.02 . 1 . . . B 395 ALA HB3 . 17574 1 322 . 1 1 32 32 ALA C C 13 179.599 0.30 . 1 . . . B 395 ALA C . 17574 1 323 . 1 1 32 32 ALA CA C 13 54.88 0.30 . 1 . . . B 395 ALA CA . 17574 1 324 . 1 1 32 32 ALA CB C 13 18.221 0.30 . 1 . . . B 395 ALA CB . 17574 1 325 . 1 1 32 32 ALA N N 15 121.249 0.30 . 1 . . . B 395 ALA N . 17574 1 326 . 1 1 33 33 VAL H H 1 7.355 0.02 . 1 . . . B 396 VAL H . 17574 1 327 . 1 1 33 33 VAL HA H 1 4.122 0.02 . 1 . . . B 396 VAL HA . 17574 1 328 . 1 1 33 33 VAL HB H 1 2.109 0.02 . 1 . . . B 396 VAL HB . 17574 1 329 . 1 1 33 33 VAL C C 13 175.9 0.30 . 1 . . . B 396 VAL C . 17574 1 330 . 1 1 33 33 VAL CA C 13 62.743 0.30 . 1 . . . B 396 VAL CA . 17574 1 331 . 1 1 33 33 VAL CB C 13 32.173 0.30 . 1 . . . B 396 VAL CB . 17574 1 332 . 1 1 33 33 VAL CG1 C 13 20.78 0.30 . 1 . . . B 396 VAL CG1 . 17574 1 333 . 1 1 33 33 VAL CG2 C 13 20.78 0.30 . 1 . . . B 396 VAL CG2 . 17574 1 334 . 1 1 33 33 VAL N N 15 109.941 0.30 . 1 . . . B 396 VAL N . 17574 1 335 . 1 1 34 34 ASP H H 1 7.309 0.02 . 1 . . . B 397 ASP H . 17574 1 336 . 1 1 34 34 ASP HA H 1 5.055 0.02 . 1 . . . B 397 ASP HA . 17574 1 337 . 1 1 34 34 ASP HB2 H 1 2.489 0.02 . 2 . . . B 397 ASP HB2 . 17574 1 338 . 1 1 34 34 ASP HB3 H 1 2.725 0.02 . 2 . . . B 397 ASP HB3 . 17574 1 339 . 1 1 34 34 ASP CA C 13 50.746 0.30 . 1 . . . B 397 ASP CA . 17574 1 340 . 1 1 34 34 ASP CB C 13 41.665 0.30 . 1 . . . B 397 ASP CB . 17574 1 341 . 1 1 34 34 ASP N N 15 119.233 0.30 . 1 . . . B 397 ASP N . 17574 1 342 . 1 1 35 35 PRO HA H 1 4.760 0.02 . 1 . . . B 398 PRO HA . 17574 1 343 . 1 1 35 35 PRO HB2 H 1 2.228 0.02 . 2 . . . B 398 PRO HB2 . 17574 1 344 . 1 1 35 35 PRO HB3 H 1 2.228 0.02 . 2 . . . B 398 PRO HB3 . 17574 1 345 . 1 1 35 35 PRO HG2 H 1 1.854 0.02 . 2 . . . B 398 PRO HG2 . 17574 1 346 . 1 1 35 35 PRO HG3 H 1 2.053 0.02 . 2 . . . B 398 PRO HG3 . 17574 1 347 . 1 1 35 35 PRO C C 13 174.996 0.30 . 1 . . . B 398 PRO C . 17574 1 348 . 1 1 35 35 PRO CA C 13 63.431 0.30 . 1 . . . B 398 PRO CA . 17574 1 349 . 1 1 35 35 PRO CB C 13 30.896 0.30 . 1 . . . B 398 PRO CB . 17574 1 350 . 1 1 36 36 ASN H H 1 8.117 0.02 . 1 . . . B 399 ASN H . 17574 1 351 . 1 1 36 36 ASN HA H 1 4.690 0.02 . 1 . . . B 399 ASN HA . 17574 1 352 . 1 1 36 36 ASN HB2 H 1 2.316 0.02 . 2 . . . B 399 ASN HB2 . 17574 1 353 . 1 1 36 36 ASN HB3 H 1 2.670 0.02 . 2 . . . B 399 ASN HB3 . 17574 1 354 . 1 1 36 36 ASN HD21 H 1 7.824 0.02 . 2 . . . B 399 ASN HD21 . 17574 1 355 . 1 1 36 36 ASN HD22 H 1 6.752 0.02 . 2 . . . B 399 ASN HD22 . 17574 1 356 . 1 1 36 36 ASN C C 13 174.146 0.30 . 1 . . . B 399 ASN C . 17574 1 357 . 1 1 36 36 ASN CA C 13 53.995 0.30 . 1 . . . B 399 ASN CA . 17574 1 358 . 1 1 36 36 ASN CB C 13 40.529 0.30 . 1 . . . B 399 ASN CB . 17574 1 359 . 1 1 36 36 ASN N N 15 118.384 0.30 . 1 . . . B 399 ASN N . 17574 1 360 . 1 1 36 36 ASN ND2 N 15 114.468 0.30 . 1 . . . B 399 ASN ND2 . 17574 1 361 . 1 1 37 37 SER H H 1 8.861 0.02 . 1 . . . B 400 SER H . 17574 1 362 . 1 1 37 37 SER HA H 1 4.699 0.02 . 1 . . . B 400 SER HA . 17574 1 363 . 1 1 37 37 SER HB2 H 1 3.420 0.02 . 2 . . . B 400 SER HB2 . 17574 1 364 . 1 1 37 37 SER HB3 H 1 3.420 0.02 . 2 . . . B 400 SER HB3 . 17574 1 365 . 1 1 37 37 SER C C 13 176.119 0.30 . 1 . . . B 400 SER C . 17574 1 366 . 1 1 37 37 SER CA C 13 56.256 0.30 . 1 . . . B 400 SER CA . 17574 1 367 . 1 1 37 37 SER CB C 13 65.594 0.30 . 1 . . . B 400 SER CB . 17574 1 368 . 1 1 37 37 SER N N 15 115.696 0.30 . 1 . . . B 400 SER N . 17574 1 369 . 1 1 38 38 ILE H H 1 8.264 0.02 . 1 . . . B 401 ILE H . 17574 1 370 . 1 1 38 38 ILE HA H 1 5.098 0.02 . 1 . . . B 401 ILE HA . 17574 1 371 . 1 1 38 38 ILE HB H 1 1.459 0.02 . 1 . . . B 401 ILE HB . 17574 1 372 . 1 1 38 38 ILE HG21 H 1 0.800 0.02 . 4 . . . B 401 ILE HG21 . 17574 1 373 . 1 1 38 38 ILE HG22 H 1 0.800 0.02 . 4 . . . B 401 ILE HG22 . 17574 1 374 . 1 1 38 38 ILE HG23 H 1 0.800 0.02 . 4 . . . B 401 ILE HG23 . 17574 1 375 . 1 1 38 38 ILE HD11 H 1 0.802 0.02 . 1 . . . B 401 ILE HD11 . 17574 1 376 . 1 1 38 38 ILE HD12 H 1 0.802 0.02 . 1 . . . B 401 ILE HD12 . 17574 1 377 . 1 1 38 38 ILE HD13 H 1 0.802 0.02 . 1 . . . B 401 ILE HD13 . 17574 1 378 . 1 1 38 38 ILE C C 13 175.571 0.30 . 1 . . . B 401 ILE C . 17574 1 379 . 1 1 38 38 ILE CA C 13 60.679 0.30 . 1 . . . B 401 ILE CA . 17574 1 380 . 1 1 38 38 ILE CB C 13 40.823 0.30 . 1 . . . B 401 ILE CB . 17574 1 381 . 1 1 38 38 ILE CG2 C 13 13.533 0.30 . 2 . . . B 401 ILE CG2 . 17574 1 382 . 1 1 38 38 ILE CD1 C 13 16.463 0.30 . 1 . . . B 401 ILE CD1 . 17574 1 383 . 1 1 38 38 ILE N N 15 121.233 0.30 . 1 . . . B 401 ILE N . 17574 1 384 . 1 1 39 39 VAL H H 1 9.059 0.02 . 1 . . . B 402 VAL H . 17574 1 385 . 1 1 39 39 VAL HA H 1 5.022 0.02 . 1 . . . B 402 VAL HA . 17574 1 386 . 1 1 39 39 VAL HB H 1 1.459 0.02 . 1 . . . B 402 VAL HB . 17574 1 387 . 1 1 39 39 VAL HG11 H 1 0.985 0.02 . 4 . . . B 402 VAL HG11 . 17574 1 388 . 1 1 39 39 VAL HG12 H 1 0.985 0.02 . 4 . . . B 402 VAL HG12 . 17574 1 389 . 1 1 39 39 VAL HG13 H 1 0.985 0.02 . 4 . . . B 402 VAL HG13 . 17574 1 390 . 1 1 39 39 VAL HG21 H 1 1.044 0.02 . 4 . . . B 402 VAL HG21 . 17574 1 391 . 1 1 39 39 VAL HG22 H 1 1.044 0.02 . 4 . . . B 402 VAL HG22 . 17574 1 392 . 1 1 39 39 VAL HG23 H 1 1.044 0.02 . 4 . . . B 402 VAL HG23 . 17574 1 393 . 1 1 39 39 VAL C C 13 174.42 0.30 . 1 . . . B 402 VAL C . 17574 1 394 . 1 1 39 39 VAL CA C 13 59.834 0.30 . 1 . . . B 402 VAL CA . 17574 1 395 . 1 1 39 39 VAL CB C 13 36.39 0.30 . 1 . . . B 402 VAL CB . 17574 1 396 . 1 1 39 39 VAL CG1 C 13 22.91 0.30 . 2 . . . B 402 VAL CG1 . 17574 1 397 . 1 1 39 39 VAL CG2 C 13 23.496 0.30 . 1 . . . B 402 VAL CG2 . 17574 1 398 . 1 1 39 39 VAL N N 15 128.461 0.30 . 1 . . . B 402 VAL N . 17574 1 399 . 1 1 40 40 GLU H H 1 9.155 0.02 . 1 . . . B 403 GLU H . 17574 1 400 . 1 1 40 40 GLU HA H 1 5.028 0.02 . 1 . . . B 403 GLU HA . 17574 1 401 . 1 1 40 40 GLU C C 13 174.831 0.30 . 1 . . . B 403 GLU C . 17574 1 402 . 1 1 40 40 GLU CA C 13 53.897 0.30 . 1 . . . B 403 GLU CA . 17574 1 403 . 1 1 40 40 GLU CB C 13 33.058 0.30 . 1 . . . B 403 GLU CB . 17574 1 404 . 1 1 40 40 GLU N N 15 123.485 0.30 . 1 . . . B 403 GLU N . 17574 1 405 . 1 1 41 41 CYS H H 1 8.935 0.02 . 1 . . . B 404 CYS H . 17574 1 406 . 1 1 41 41 CYS HA H 1 4.150 0.02 . 1 . . . B 404 CYS HA . 17574 1 407 . 1 1 41 41 CYS HB2 H 1 2.387 0.02 . 2 . . . B 404 CYS HB2 . 17574 1 408 . 1 1 41 41 CYS HB3 H 1 2.387 0.02 . 2 . . . B 404 CYS HB3 . 17574 1 409 . 1 1 41 41 CYS C C 13 173.489 0.30 . 1 . . . B 404 CYS C . 17574 1 410 . 1 1 41 41 CYS CA C 13 57.829 0.30 . 1 . . . B 404 CYS CA . 17574 1 411 . 1 1 41 41 CYS CB C 13 26.669 0.30 . 1 . . . B 404 CYS CB . 17574 1 412 . 1 1 41 41 CYS N N 15 123.952 0.30 . 1 . . . B 404 CYS N . 17574 1 413 . 1 1 42 42 ARG H H 1 8.888 0.02 . 1 . . . B 405 ARG H . 17574 1 414 . 1 1 42 42 ARG HA H 1 5.456 0.02 . 1 . . . B 405 ARG HA . 17574 1 415 . 1 1 42 42 ARG C C 13 174.859 0.30 . 1 . . . B 405 ARG C . 17574 1 416 . 1 1 42 42 ARG CA C 13 54.192 0.30 . 1 . . . B 405 ARG CA . 17574 1 417 . 1 1 42 42 ARG CB C 13 35.319 0.30 . 1 . . . B 405 ARG CB . 17574 1 418 . 1 1 42 42 ARG N N 15 128.239 0.30 . 1 . . . B 405 ARG N . 17574 1 419 . 1 1 43 43 VAL H H 1 7.634 0.02 . 1 . . . B 406 VAL H . 17574 1 420 . 1 1 43 43 VAL HA H 1 4.835 0.02 . 1 . . . B 406 VAL HA . 17574 1 421 . 1 1 43 43 VAL HB H 1 2.209 0.02 . 1 . . . B 406 VAL HB . 17574 1 422 . 1 1 43 43 VAL HG11 H 1 0.525 0.02 . 4 . . . B 406 VAL HG11 . 17574 1 423 . 1 1 43 43 VAL HG12 H 1 0.525 0.02 . 4 . . . B 406 VAL HG12 . 17574 1 424 . 1 1 43 43 VAL HG13 H 1 0.525 0.02 . 4 . . . B 406 VAL HG13 . 17574 1 425 . 1 1 43 43 VAL HG21 H 1 0.860 0.02 . 4 . . . B 406 VAL HG21 . 17574 1 426 . 1 1 43 43 VAL HG22 H 1 0.860 0.02 . 4 . . . B 406 VAL HG22 . 17574 1 427 . 1 1 43 43 VAL HG23 H 1 0.860 0.02 . 4 . . . B 406 VAL HG23 . 17574 1 428 . 1 1 43 43 VAL C C 13 179.297 0.30 . 1 . . . B 406 VAL C . 17574 1 429 . 1 1 43 43 VAL CA C 13 59.834 0.30 . 1 . . . B 406 VAL CA . 17574 1 430 . 1 1 43 43 VAL CB C 13 33.46 0.30 . 1 . . . B 406 VAL CB . 17574 1 431 . 1 1 43 43 VAL CG1 C 13 22.91 0.30 . 2 . . . B 406 VAL CG1 . 17574 1 432 . 1 1 43 43 VAL CG2 C 13 19.98 0.30 . 2 . . . B 406 VAL CG2 . 17574 1 433 . 1 1 43 43 VAL N N 15 108.907 0.30 . 1 . . . B 406 VAL N . 17574 1 434 . 1 1 44 44 GLY H H 1 8.478 0.02 . 1 . . . B 407 GLY H . 17574 1 435 . 1 1 44 44 GLY HA2 H 1 3.836 0.02 . 2 . . . B 407 GLY HA2 . 17574 1 436 . 1 1 44 44 GLY HA3 H 1 4.028 0.02 . 2 . . . B 407 GLY HA3 . 17574 1 437 . 1 1 44 44 GLY C C 13 174.667 0.30 . 1 . . . B 407 GLY C . 17574 1 438 . 1 1 44 44 GLY CA C 13 48.097 0.30 . 1 . . . B 407 GLY CA . 17574 1 439 . 1 1 44 44 GLY N N 15 108.492 0.30 . 1 . . . B 407 GLY N . 17574 1 440 . 1 1 45 45 ASP H H 1 7.919 0.02 . 1 . . . B 408 ASP H . 17574 1 441 . 1 1 45 45 ASP HA H 1 4.606 0.02 . 1 . . . B 408 ASP HA . 17574 1 442 . 1 1 45 45 ASP HB2 H 1 2.677 0.02 . 2 . . . B 408 ASP HB2 . 17574 1 443 . 1 1 45 45 ASP HB3 H 1 3.079 0.02 . 2 . . . B 408 ASP HB3 . 17574 1 444 . 1 1 45 45 ASP C C 13 177.051 0.30 . 1 . . . B 408 ASP C . 17574 1 445 . 1 1 45 45 ASP CA C 13 53.897 0.30 . 1 . . . B 408 ASP CA . 17574 1 446 . 1 1 45 45 ASP CB C 13 39.644 0.30 . 1 . . . B 408 ASP CB . 17574 1 447 . 1 1 45 45 ASP N N 15 118.46 0.30 . 1 . . . B 408 ASP N . 17574 1 448 . 1 1 46 46 GLY H H 1 8.410 0.02 . 1 . . . B 409 GLY H . 17574 1 449 . 1 1 46 46 GLY HA2 H 1 3.621 0.02 . 2 . . . B 409 GLY HA2 . 17574 1 450 . 1 1 46 46 GLY HA3 H 1 4.424 0.02 . 2 . . . B 409 GLY HA3 . 17574 1 451 . 1 1 46 46 GLY C C 13 174.201 0.30 . 1 . . . B 409 GLY C . 17574 1 452 . 1 1 46 46 GLY CA C 13 44.854 0.30 . 1 . . . B 409 GLY CA . 17574 1 453 . 1 1 46 46 GLY N N 15 108.534 0.30 . 1 . . . B 409 GLY N . 17574 1 454 . 1 1 47 47 THR H H 1 8.139 0.02 . 1 . . . B 410 THR H . 17574 1 455 . 1 1 47 47 THR HA H 1 3.861 0.02 . 1 . . . B 410 THR HA . 17574 1 456 . 1 1 47 47 THR HB H 1 4.036 0.02 . 1 . . . B 410 THR HB . 17574 1 457 . 1 1 47 47 THR HG21 H 1 1.168 0.02 . 1 . . . B 410 THR HG1 . 17574 1 458 . 1 1 47 47 THR HG22 H 1 1.168 0.02 . 1 . . . B 410 THR HG1 . 17574 1 459 . 1 1 47 47 THR HG23 H 1 1.168 0.02 . 1 . . . B 410 THR HG1 . 17574 1 460 . 1 1 47 47 THR C C 13 173.105 0.30 . 1 . . . B 410 THR C . 17574 1 461 . 1 1 47 47 THR CA C 13 65.496 0.30 . 1 . . . B 410 THR CA . 17574 1 462 . 1 1 47 47 THR CB C 13 68.346 0.30 . 1 . . . B 410 THR CB . 17574 1 463 . 1 1 47 47 THR CG2 C 13 20.57 0.30 . 1 . . . B 410 THR CG2 . 17574 1 464 . 1 1 47 47 THR N N 15 119.756 0.30 . 1 . . . B 410 THR N . 17574 1 465 . 1 1 48 48 VAL H H 1 8.480 0.02 . 1 . . . B 411 VAL H . 17574 1 466 . 1 1 48 48 VAL HA H 1 4.067 0.02 . 1 . . . B 411 VAL HA . 17574 1 467 . 1 1 48 48 VAL HB H 1 1.997 0.02 . 1 . . . B 411 VAL HB . 17574 1 468 . 1 1 48 48 VAL HG11 H 1 0.762 0.02 . 4 . . . B 411 VAL HG11 . 17574 1 469 . 1 1 48 48 VAL HG12 H 1 0.762 0.02 . 4 . . . B 411 VAL HG12 . 17574 1 470 . 1 1 48 48 VAL HG13 H 1 0.762 0.02 . 4 . . . B 411 VAL HG13 . 17574 1 471 . 1 1 48 48 VAL HG21 H 1 0.913 0.02 . 4 . . . B 411 VAL HG21 . 17574 1 472 . 1 1 48 48 VAL HG22 H 1 0.913 0.02 . 4 . . . B 411 VAL HG22 . 17574 1 473 . 1 1 48 48 VAL HG23 H 1 0.913 0.02 . 4 . . . B 411 VAL HG23 . 17574 1 474 . 1 1 48 48 VAL C C 13 176.448 0.30 . 1 . . . B 411 VAL C . 17574 1 475 . 1 1 48 48 VAL CA C 13 62.35 0.30 . 1 . . . B 411 VAL CA . 17574 1 476 . 1 1 48 48 VAL CB C 13 31.701 0.30 . 1 . . . B 411 VAL CB . 17574 1 477 . 1 1 48 48 VAL CG1 C 13 21.738 0.30 . 2 . . . B 411 VAL CG1 . 17574 1 478 . 1 1 48 48 VAL CG2 C 13 22.324 0.30 . 2 . . . B 411 VAL CG2 . 17574 1 479 . 1 1 48 48 VAL N N 15 127.082 0.30 . 1 . . . B 411 VAL N . 17574 1 480 . 1 1 49 49 LEU H H 1 9.319 0.02 . 1 . . . B 412 LEU H . 17574 1 481 . 1 1 49 49 LEU HA H 1 4.353 0.02 . 1 . . . B 412 LEU HA . 17574 1 482 . 1 1 49 49 LEU HB2 H 1 1.431 0.02 . 2 . . . B 412 LEU HB2 . 17574 1 483 . 1 1 49 49 LEU HB3 H 1 1.431 0.02 . 2 . . . B 412 LEU HB3 . 17574 1 484 . 1 1 49 49 LEU HG H 1 1.462 0.02 . 1 . . . B 412 LEU HG . 17574 1 485 . 1 1 49 49 LEU HD11 H 1 0.616 0.02 . 4 . . . B 412 LEU HD11 . 17574 1 486 . 1 1 49 49 LEU HD12 H 1 0.616 0.02 . 4 . . . B 412 LEU HD12 . 17574 1 487 . 1 1 49 49 LEU HD13 H 1 0.616 0.02 . 4 . . . B 412 LEU HD13 . 17574 1 488 . 1 1 49 49 LEU HD21 H 1 0.552 0.02 . 4 . . . B 412 LEU HD21 . 17574 1 489 . 1 1 49 49 LEU HD22 H 1 0.552 0.02 . 4 . . . B 412 LEU HD22 . 17574 1 490 . 1 1 49 49 LEU HD23 H 1 0.552 0.02 . 4 . . . B 412 LEU HD23 . 17574 1 491 . 1 1 49 49 LEU C C 13 177.379 0.30 . 1 . . . B 412 LEU C . 17574 1 492 . 1 1 49 49 LEU CA C 13 55.469 0.30 . 1 . . . B 412 LEU CA . 17574 1 493 . 1 1 49 49 LEU CB C 13 43.084 0.30 . 1 . . . B 412 LEU CB . 17574 1 494 . 1 1 49 49 LEU CG C 13 28.185 0.30 . 1 . . . B 412 LEU CG . 17574 1 495 . 1 1 49 49 LEU CD1 C 13 22.324 0.30 . 2 . . . B 412 LEU CD1 . 17574 1 496 . 1 1 49 49 LEU CD2 C 13 25.254 0.30 . 2 . . . B 412 LEU CD2 . 17574 1 497 . 1 1 49 49 LEU N N 15 128.678 0.30 . 1 . . . B 412 LEU N . 17574 1 498 . 1 1 50 50 GLY H H 1 7.288 0.02 . 1 . . . B 413 GLY H . 17574 1 499 . 1 1 50 50 GLY HA2 H 1 3.993 0.02 . 2 . . . B 413 GLY HA2 . 17574 1 500 . 1 1 50 50 GLY HA3 H 1 4.274 0.02 . 2 . . . B 413 GLY HA3 . 17574 1 501 . 1 1 50 50 GLY C C 13 170.859 0.30 . 1 . . . B 413 GLY C . 17574 1 502 . 1 1 50 50 GLY CA C 13 45.247 0.30 . 1 . . . B 413 GLY CA . 17574 1 503 . 1 1 50 50 GLY N N 15 102.541 0.30 . 1 . . . B 413 GLY N . 17574 1 504 . 1 1 51 51 THR H H 1 8.638 0.02 . 1 . . . B 414 THR H . 17574 1 505 . 1 1 51 51 THR HA H 1 5.140 0.02 . 1 . . . B 414 THR HA . 17574 1 506 . 1 1 51 51 THR HB H 1 3.789 0.02 . 1 . . . B 414 THR HB . 17574 1 507 . 1 1 51 51 THR HG21 H 1 1.126 0.02 . 1 . . . B 414 THR HG1 . 17574 1 508 . 1 1 51 51 THR HG22 H 1 1.126 0.02 . 1 . . . B 414 THR HG1 . 17574 1 509 . 1 1 51 51 THR HG23 H 1 1.126 0.02 . 1 . . . B 414 THR HG1 . 17574 1 510 . 1 1 51 51 THR C C 13 173.105 0.30 . 1 . . . B 414 THR C . 17574 1 511 . 1 1 51 51 THR CA C 13 62.178 0.30 . 1 . . . B 414 THR CA . 17574 1 512 . 1 1 51 51 THR CB C 13 70.804 0.30 . 1 . . . B 414 THR CB . 17574 1 513 . 1 1 51 51 THR CG2 C 13 21.15 0.30 . 1 . . . B 414 THR CG2 . 17574 1 514 . 1 1 51 51 THR N N 15 118.724 0.30 . 1 . . . B 414 THR N . 17574 1 515 . 1 1 52 52 GLY H H 1 9.558 0.02 . 1 . . . B 415 GLY H . 17574 1 516 . 1 1 52 52 GLY HA2 H 1 4.180 0.02 . 2 . . . B 415 GLY HA2 . 17574 1 517 . 1 1 52 52 GLY HA3 H 1 4.583 0.02 . 2 . . . B 415 GLY HA3 . 17574 1 518 . 1 1 52 52 GLY C C 13 170.694 0.30 . 1 . . . B 415 GLY C . 17574 1 519 . 1 1 52 52 GLY CA C 13 43.969 0.30 . 1 . . . B 415 GLY CA . 17574 1 520 . 1 1 52 52 GLY N N 15 115.874 0.30 . 1 . . . B 415 GLY N . 17574 1 521 . 1 1 53 53 VAL H H 1 7.994 0.02 . 1 . . . B 416 VAL H . 17574 1 522 . 1 1 53 53 VAL HA H 1 5.381 0.02 . 1 . . . B 416 VAL HA . 17574 1 523 . 1 1 53 53 VAL HB H 1 1.958 0.02 . 1 . . . B 416 VAL HB . 17574 1 524 . 1 1 53 53 VAL HG11 H 1 0.896 0.02 . 4 . . . B 416 VAL HG11 . 17574 1 525 . 1 1 53 53 VAL HG12 H 1 0.896 0.02 . 4 . . . B 416 VAL HG12 . 17574 1 526 . 1 1 53 53 VAL HG13 H 1 0.896 0.02 . 4 . . . B 416 VAL HG13 . 17574 1 527 . 1 1 53 53 VAL C C 13 176.283 0.30 . 1 . . . B 416 VAL C . 17574 1 528 . 1 1 53 53 VAL CA C 13 59.598 0.30 . 1 . . . B 416 VAL CA . 17574 1 529 . 1 1 53 53 VAL CB C 13 34.632 0.30 . 1 . . . B 416 VAL CB . 17574 1 530 . 1 1 53 53 VAL CG1 C 13 20.566 0.30 . 1 . . . B 416 VAL CG1 . 17574 1 531 . 1 1 53 53 VAL N N 15 119.987 0.30 . 1 . . . B 416 VAL N . 17574 1 532 . 1 1 54 54 GLY H H 1 8.412 0.02 . 1 . . . B 417 GLY H . 17574 1 533 . 1 1 54 54 GLY HA2 H 1 3.800 0.02 . 2 . . . B 417 GLY HA2 . 17574 1 534 . 1 1 54 54 GLY HA3 H 1 4.377 0.02 . 2 . . . B 417 GLY HA3 . 17574 1 535 . 1 1 54 54 GLY C C 13 172.804 0.30 . 1 . . . B 417 GLY C . 17574 1 536 . 1 1 54 54 GLY CA C 13 45.345 0.30 . 1 . . . B 417 GLY CA . 17574 1 537 . 1 1 54 54 GLY N N 15 109.648 0.30 . 1 . . . B 417 GLY N . 17574 1 538 . 1 1 55 55 ARG H H 1 8.788 0.02 . 1 . . . B 418 ARG H . 17574 1 539 . 1 1 55 55 ARG HA H 1 4.410 0.02 . 1 . . . B 418 ARG HA . 17574 1 540 . 1 1 55 55 ARG HB2 H 1 1.888 0.02 . 2 . . . B 418 ARG HB2 . 17574 1 541 . 1 1 55 55 ARG HB3 H 1 1.888 0.02 . 2 . . . B 418 ARG HB3 . 17574 1 542 . 1 1 55 55 ARG HD2 H 1 3.267 0.02 . 2 . . . B 418 ARG HD2 . 17574 1 543 . 1 1 55 55 ARG HD3 H 1 3.267 0.02 . 2 . . . B 418 ARG HD3 . 17574 1 544 . 1 1 55 55 ARG C C 13 174.475 0.30 . 1 . . . B 418 ARG C . 17574 1 545 . 1 1 55 55 ARG CA C 13 57.829 0.30 . 1 . . . B 418 ARG CA . 17574 1 546 . 1 1 55 55 ARG CB C 13 29.913 0.30 . 1 . . . B 418 ARG CB . 17574 1 547 . 1 1 55 55 ARG CD C 13 43.23 0.30 . 1 . . . B 418 ARG CD . 17574 1 548 . 1 1 55 55 ARG N N 15 118.404 0.30 . 1 . . . B 418 ARG N . 17574 1 549 . 1 1 56 56 ASN H H 1 7.329 0.02 . 1 . . . B 419 ASN H . 17574 1 550 . 1 1 56 56 ASN HA H 1 4.749 0.02 . 1 . . . B 419 ASN HA . 17574 1 551 . 1 1 56 56 ASN HB2 H 1 3.000 0.02 . 2 . . . B 419 ASN HB2 . 17574 1 552 . 1 1 56 56 ASN HB3 H 1 3.406 0.02 . 2 . . . B 419 ASN HB3 . 17574 1 553 . 1 1 56 56 ASN HD21 H 1 7.750 0.02 . 2 . . . B 419 ASN HD21 . 17574 1 554 . 1 1 56 56 ASN HD22 H 1 6.978 0.02 . 2 . . . B 419 ASN HD22 . 17574 1 555 . 1 1 56 56 ASN CA C 13 51.357 0.30 . 1 . . . B 419 ASN CA . 17574 1 556 . 1 1 56 56 ASN CB C 13 40.423 0.30 . 1 . . . B 419 ASN CB . 17574 1 557 . 1 1 56 56 ASN N N 15 110.954 0.30 . 1 . . . B 419 ASN N . 17574 1 558 . 1 1 56 56 ASN ND2 N 15 112.519 0.30 . 1 . . . B 419 ASN ND2 . 17574 1 559 . 1 1 57 57 ILE HA H 1 3.670 0.02 . 1 . . . B 420 ILE HA . 17574 1 560 . 1 1 57 57 ILE HB H 1 1.786 0.02 . 1 . . . B 420 ILE HB . 17574 1 561 . 1 1 57 57 ILE HG12 H 1 1.278 0.02 . 1 . . . B 420 ILE HG12 . 17574 1 562 . 1 1 57 57 ILE HG13 H 1 1.278 0.02 . 1 . . . B 420 ILE HG13 . 17574 1 563 . 1 1 57 57 ILE HG21 H 1 0.995 0.02 . 2 . . . B 420 ILE HG21 . 17574 1 564 . 1 1 57 57 ILE HG22 H 1 0.995 0.02 . 1 . . . B 420 ILE HG22 . 17574 1 565 . 1 1 57 57 ILE HG23 H 1 0.995 0.02 . 2 . . . B 420 ILE HG23 . 17574 1 566 . 1 1 57 57 ILE HD11 H 1 0.898 0.02 . 1 . . . B 420 ILE HD11 . 17574 1 567 . 1 1 57 57 ILE HD12 H 1 0.898 0.02 . 1 . . . B 420 ILE HD12 . 17574 1 568 . 1 1 57 57 ILE HD13 H 1 0.898 0.02 . 1 . . . B 420 ILE HD13 . 17574 1 569 . 1 1 57 57 ILE C C 13 178.53 0.30 . 1 . . . B 420 ILE C . 17574 1 570 . 1 1 57 57 ILE CA C 13 65.109 0.30 . 1 . . . B 420 ILE CA . 17574 1 571 . 1 1 57 57 ILE CB C 13 31.682 0.30 . 1 . . . B 420 ILE CB . 17574 1 572 . 1 1 57 57 ILE CG1 C 13 18.291 0.30 . 2 . . . B 420 ILE CG1 . 17574 1 573 . 1 1 57 57 ILE CG2 C 13 18.221 0.30 . 1 . . . B 420 ILE CG2 . 17574 1 574 . 1 1 57 57 ILE CD1 C 13 15.291 0.30 . 2 . . . B 420 ILE CD1 . 17574 1 575 . 1 1 58 58 LYS H H 1 8.179 0.02 . 1 . . . B 421 LYS H . 17574 1 576 . 1 1 58 58 LYS HA H 1 3.954 0.02 . 1 . . . B 421 LYS HA . 17574 1 577 . 1 1 58 58 LYS HB2 H 1 1.809 0.02 . 2 . . . B 421 LYS HB2 . 17574 1 578 . 1 1 58 58 LYS HB3 H 1 1.809 0.02 . 2 . . . B 421 LYS HB3 . 17574 1 579 . 1 1 58 58 LYS HG2 H 1 1.657 0.02 . 2 . . . B 421 LYS HG2 . 17574 1 580 . 1 1 58 58 LYS HG3 H 1 1.657 0.02 . 2 . . . B 421 LYS HG3 . 17574 1 581 . 1 1 58 58 LYS HD2 H 1 1.243 0.02 . 2 . . . B 421 LYS HD2 . 17574 1 582 . 1 1 58 58 LYS HD3 H 1 1.506 0.02 . 2 . . . B 421 LYS HD3 . 17574 1 583 . 1 1 58 58 LYS HE2 H 1 2.933 0.02 . 2 . . . B 421 LYS HE2 . 17574 1 584 . 1 1 58 58 LYS HE3 H 1 2.933 0.02 . 2 . . . B 421 LYS HE3 . 17574 1 585 . 1 1 58 58 LYS C C 13 179.297 0.30 . 1 . . . B 421 LYS C . 17574 1 586 . 1 1 58 58 LYS CA C 13 59.794 0.30 . 1 . . . B 421 LYS CA . 17574 1 587 . 1 1 58 58 LYS CB C 13 31.701 0.30 . 1 . . . B 421 LYS CB . 17574 1 588 . 1 1 58 58 LYS CG C 13 29.357 0.30 . 1 . . . B 421 LYS CG . 17574 1 589 . 1 1 58 58 LYS CD C 13 24.668 0.30 . 1 . . . B 421 LYS CD . 17574 1 590 . 1 1 58 58 LYS CE C 13 42.251 0.30 . 1 . . . B 421 LYS CE . 17574 1 591 . 1 1 58 58 LYS N N 15 124.769 0.30 . 1 . . . B 421 LYS N . 17574 1 592 . 1 1 59 59 ILE H H 1 8.684 0.02 . 1 . . . B 422 ILE H . 17574 1 593 . 1 1 59 59 ILE HA H 1 3.757 0.02 . 1 . . . B 422 ILE HA . 17574 1 594 . 1 1 59 59 ILE HB H 1 1.652 0.02 . 1 . . . B 422 ILE HB . 17574 1 595 . 1 1 59 59 ILE HG12 H 1 1.271 0.02 . 9 . . . B 422 ILE HG12 . 17574 1 596 . 1 1 59 59 ILE HG13 H 1 1.646 0.02 . 9 . . . B 422 ILE HG13 . 17574 1 597 . 1 1 59 59 ILE HG21 H 1 0.886 0.02 . 1 . . . B 422 ILE HG21 . 17574 1 598 . 1 1 59 59 ILE HG22 H 1 0.886 0.02 . 1 . . . B 422 ILE HG22 . 17574 1 599 . 1 1 59 59 ILE HG23 H 1 0.886 0.02 . 1 . . . B 422 ILE HG23 . 17574 1 600 . 1 1 59 59 ILE HD11 H 1 1.008 0.02 . 1 . . . B 422 ILE HD11 . 17574 1 601 . 1 1 59 59 ILE HD12 H 1 1.008 0.02 . 4 . . . B 422 ILE HD12 . 17574 1 602 . 1 1 59 59 ILE HD13 H 1 1.008 0.02 . 4 . . . B 422 ILE HD13 . 17574 1 603 . 1 1 59 59 ILE C C 13 177.763 0.30 . 1 . . . B 422 ILE C . 17574 1 604 . 1 1 59 59 ILE CA C 13 63.35 0.30 . 1 . . . B 422 ILE CA . 17574 1 605 . 1 1 59 59 ILE CB C 13 37.973 0.30 . 1 . . . B 422 ILE CB . 17574 1 606 . 1 1 59 59 ILE CG1 C 13 28.771 0.30 . 2 . . . B 422 ILE CG1 . 17574 1 607 . 1 1 59 59 ILE CG2 C 13 12.946 0.30 . 1 . . . B 422 ILE CG2 . 17574 1 608 . 1 1 59 59 ILE CD1 C 13 17.635 0.30 . 2 . . . B 422 ILE CD1 . 17574 1 609 . 1 1 59 59 ILE N N 15 119.454 0.30 . 1 . . . B 422 ILE N . 17574 1 610 . 1 1 60 60 ALA H H 1 8.242 0.02 . 1 . . . B 423 ALA H . 17574 1 611 . 1 1 60 60 ALA HA H 1 3.614 0.02 . 1 . . . B 423 ALA HA . 17574 1 612 . 1 1 60 60 ALA HB1 H 1 1.262 0.02 . 1 . . . B 423 ALA HB1 . 17574 1 613 . 1 1 60 60 ALA HB2 H 1 1.262 0.02 . 1 . . . B 423 ALA HB2 . 17574 1 614 . 1 1 60 60 ALA HB3 H 1 1.262 0.02 . 1 . . . B 423 ALA HB3 . 17574 1 615 . 1 1 60 60 ALA C C 13 179.571 0.30 . 1 . . . B 423 ALA C . 17574 1 616 . 1 1 60 60 ALA CA C 13 55.961 0.30 . 1 . . . B 423 ALA CA . 17574 1 617 . 1 1 60 60 ALA CB C 13 17.921 0.30 . 1 . . . B 423 ALA CB . 17574 1 618 . 1 1 60 60 ALA N N 15 122.323 0.30 . 1 . . . B 423 ALA N . 17574 1 619 . 1 1 61 61 GLY H H 1 8.183 0.02 . 1 . . . B 424 GLY H . 17574 1 620 . 1 1 61 61 GLY HA2 H 1 3.643 0.02 . 2 . . . B 424 GLY HA2 . 17574 1 621 . 1 1 61 61 GLY HA3 H 1 3.884 0.02 . 2 . . . B 424 GLY HA3 . 17574 1 622 . 1 1 61 61 GLY C C 13 175.242 0.30 . 1 . . . B 424 GLY C . 17574 1 623 . 1 1 61 61 GLY CA C 13 47.311 0.30 . 1 . . . B 424 GLY CA . 17574 1 624 . 1 1 61 61 GLY N N 15 104.52 0.30 . 1 . . . B 424 GLY N . 17574 1 625 . 1 1 62 62 ILE H H 1 7.706 0.02 . 1 . . . B 425 ILE H . 17574 1 626 . 1 1 62 62 ILE HA H 1 3.561 0.02 . 1 . . . B 425 ILE HA . 17574 1 627 . 1 1 62 62 ILE HB H 1 2.054 0.02 . 1 . . . B 425 ILE HB . 17574 1 628 . 1 1 62 62 ILE HG21 H 1 0.910 0.02 . 1 . . . B 425 ILE HG21 . 17574 1 629 . 1 1 62 62 ILE HG22 H 1 0.910 0.02 . 1 . . . B 425 ILE HG22 . 17574 1 630 . 1 1 62 62 ILE HG23 H 1 0.910 0.02 . 1 . . . B 425 ILE HG23 . 17574 1 631 . 1 1 62 62 ILE HD11 H 1 0.935 0.02 . 2 . . . B 425 ILE HD11 . 17574 1 632 . 1 1 62 62 ILE HD12 H 1 0.935 0.02 . 2 . . . B 425 ILE HD12 . 17574 1 633 . 1 1 62 62 ILE HD13 H 1 0.935 0.02 . 2 . . . B 425 ILE HD13 . 17574 1 634 . 1 1 62 62 ILE C C 13 178.393 0.30 . 1 . . . B 425 ILE C . 17574 1 635 . 1 1 62 62 ILE CA C 13 65.695 0.30 . 1 . . . B 425 ILE CA . 17574 1 636 . 1 1 62 62 ILE CB C 13 37.088 0.30 . 1 . . . B 425 ILE CB . 17574 1 637 . 1 1 62 62 ILE CG2 C 13 18.221 0.30 . 2 . . . B 425 ILE CG2 . 17574 1 638 . 1 1 62 62 ILE CD1 C 13 12.946 0.30 . 1 . . . B 425 ILE CD1 . 17574 1 639 . 1 1 62 62 ILE N N 15 122.987 0.30 . 1 . . . B 425 ILE N . 17574 1 640 . 1 1 63 63 ARG H H 1 8.424 0.02 . 1 . . . B 426 ARG H . 17574 1 641 . 1 1 63 63 ARG HA H 1 4.162 0.02 . 1 . . . B 426 ARG HA . 17574 1 642 . 1 1 63 63 ARG HB2 H 1 1.984 0.02 . 2 . . . B 426 ARG HB2 . 17574 1 643 . 1 1 63 63 ARG HB3 H 1 1.984 0.02 . 2 . . . B 426 ARG HB3 . 17574 1 644 . 1 1 63 63 ARG HD2 H 1 3.272 0.02 . 2 . . . B 426 ARG HD2 . 17574 1 645 . 1 1 63 63 ARG HD3 H 1 3.272 0.02 . 2 . . . B 426 ARG HD3 . 17574 1 646 . 1 1 63 63 ARG C C 13 178.722 0.30 . 1 . . . B 426 ARG C . 17574 1 647 . 1 1 63 63 ARG CA C 13 59.248 0.30 . 1 . . . B 426 ARG CA . 17574 1 648 . 1 1 63 63 ARG CB C 13 29.225 0.30 . 1 . . . B 426 ARG CB . 17574 1 649 . 1 1 63 63 ARG N N 15 118.336 0.30 . 1 . . . B 426 ARG N . 17574 1 650 . 1 1 64 64 ALA H H 1 8.322 0.02 . 1 . . . B 427 ALA H . 17574 1 651 . 1 1 64 64 ALA HA H 1 3.766 0.02 . 1 . . . B 427 ALA HA . 17574 1 652 . 1 1 64 64 ALA HB1 H 1 1.592 0.02 . 1 . . . B 427 ALA HB1 . 17574 1 653 . 1 1 64 64 ALA HB2 H 1 1.592 0.02 . 1 . . . B 427 ALA HB2 . 17574 1 654 . 1 1 64 64 ALA HB3 H 1 1.592 0.02 . 1 . . . B 427 ALA HB3 . 17574 1 655 . 1 1 64 64 ALA C C 13 179.215 0.30 . 1 . . . B 427 ALA C . 17574 1 656 . 1 1 64 64 ALA CA C 13 55.863 0.30 . 1 . . . B 427 ALA CA . 17574 1 657 . 1 1 64 64 ALA CB C 13 18.019 0.30 . 1 . . . B 427 ALA CB . 17574 1 658 . 1 1 64 64 ALA N N 15 124.738 0.30 . 1 . . . B 427 ALA N . 17574 1 659 . 1 1 65 65 ALA H H 1 7.872 0.02 . 1 . . . B 428 ALA H . 17574 1 660 . 1 1 65 65 ALA HA H 1 4.173 0.02 . 1 . . . B 428 ALA HA . 17574 1 661 . 1 1 65 65 ALA HB1 H 1 1.607 0.02 . 1 . . . B 428 ALA HB1 . 17574 1 662 . 1 1 65 65 ALA HB2 H 1 1.607 0.02 . 1 . . . B 428 ALA HB2 . 17574 1 663 . 1 1 65 65 ALA HB3 H 1 1.607 0.02 . 1 . . . B 428 ALA HB3 . 17574 1 664 . 1 1 65 65 ALA C C 13 179.489 0.30 . 1 . . . B 428 ALA C . 17574 1 665 . 1 1 65 65 ALA CA C 13 55.076 0.30 . 1 . . . B 428 ALA CA . 17574 1 666 . 1 1 65 65 ALA CB C 13 17.626 0.30 . 1 . . . B 428 ALA CB . 17574 1 667 . 1 1 65 65 ALA N N 15 120.859 0.30 . 1 . . . B 428 ALA N . 17574 1 668 . 1 1 66 66 GLU H H 1 8.828 0.02 . 1 . . . B 429 GLU H . 17574 1 669 . 1 1 66 66 GLU HA H 1 3.853 0.02 . 1 . . . B 429 GLU HA . 17574 1 670 . 1 1 66 66 GLU HB2 H 1 1.960 0.02 . 2 . . . B 429 GLU HB2 . 17574 1 671 . 1 1 66 66 GLU HB3 H 1 2.263 0.02 . 2 . . . B 429 GLU HB3 . 17574 1 672 . 1 1 66 66 GLU HG2 H 1 2.182 0.02 . 2 . . . B 429 GLU HG2 . 17574 1 673 . 1 1 66 66 GLU HG3 H 1 2.579 0.02 . 2 . . . B 429 GLU HG3 . 17574 1 674 . 1 1 66 66 GLU C C 13 179.626 0.30 . 1 . . . B 429 GLU C . 17574 1 675 . 1 1 66 66 GLU CA C 13 59.834 0.30 . 1 . . . B 429 GLU CA . 17574 1 676 . 1 1 66 66 GLU CB C 13 30.109 0.30 . 1 . . . B 429 GLU CB . 17574 1 677 . 1 1 66 66 GLU CG C 13 37.562 0.30 . 1 . . . B 429 GLU CG . 17574 1 678 . 1 1 66 66 GLU N N 15 117.687 0.30 . 1 . . . B 429 GLU N . 17574 1 679 . 1 1 67 67 ASN H H 1 8.274 0.02 . 1 . . . B 430 ASN H . 17574 1 680 . 1 1 67 67 ASN HA H 1 4.565 0.02 . 1 . . . B 430 ASN HA . 17574 1 681 . 1 1 67 67 ASN HB2 H 1 2.983 0.02 . 2 . . . B 430 ASN HB2 . 17574 1 682 . 1 1 67 67 ASN HB3 H 1 2.983 0.02 . 2 . . . B 430 ASN HB3 . 17574 1 683 . 1 1 67 67 ASN C C 13 178.749 0.30 . 1 . . . B 430 ASN C . 17574 1 684 . 1 1 67 67 ASN CA C 13 56.256 0.30 . 1 . . . B 430 ASN CA . 17574 1 685 . 1 1 67 67 ASN CB C 13 38.366 0.30 . 1 . . . B 430 ASN CB . 17574 1 686 . 1 1 67 67 ASN N N 15 117.286 0.30 . 1 . . . B 430 ASN N . 17574 1 687 . 1 1 68 68 ALA H H 1 8.249 0.02 . 1 . . . B 431 ALA H . 17574 1 688 . 1 1 68 68 ALA HA H 1 4.247 0.02 . 1 . . . B 431 ALA HA . 17574 1 689 . 1 1 68 68 ALA HB1 H 1 1.385 0.02 . 1 . . . B 431 ALA HB1 . 17574 1 690 . 1 1 68 68 ALA HB2 H 1 1.385 0.02 . 1 . . . B 431 ALA HB2 . 17574 1 691 . 1 1 68 68 ALA HB3 H 1 1.385 0.02 . 1 . . . B 431 ALA HB3 . 17574 1 692 . 1 1 68 68 ALA C C 13 179.078 0.30 . 1 . . . B 431 ALA C . 17574 1 693 . 1 1 68 68 ALA CA C 13 55.469 0.30 . 1 . . . B 431 ALA CA . 17574 1 694 . 1 1 68 68 ALA CB C 13 19.395 0.30 . 1 . . . B 431 ALA CB . 17574 1 695 . 1 1 68 68 ALA N N 15 126.535 0.30 . 1 . . . B 431 ALA N . 17574 1 696 . 1 1 69 69 LEU H H 1 8.079 0.02 . 1 . . . B 432 LEU H . 17574 1 697 . 1 1 69 69 LEU HA H 1 3.991 0.02 . 1 . . . B 432 LEU HA . 17574 1 698 . 1 1 69 69 LEU HB2 H 1 1.431 0.02 . 2 . . . B 432 LEU HB2 . 17574 1 699 . 1 1 69 69 LEU HB3 H 1 2.004 0.02 . 2 . . . B 432 LEU HB3 . 17574 1 700 . 1 1 69 69 LEU HD11 H 1 0.955 0.02 . 4 . . . B 432 LEU HD11 . 17574 1 701 . 1 1 69 69 LEU HD12 H 1 0.955 0.02 . 4 . . . B 432 LEU HD12 . 17574 1 702 . 1 1 69 69 LEU HD13 H 1 0.955 0.02 . 4 . . . B 432 LEU HD13 . 17574 1 703 . 1 1 69 69 LEU HD21 H 1 0.815 0.02 . 4 . . . B 432 LEU HD21 . 17574 1 704 . 1 1 69 69 LEU HD22 H 1 0.815 0.02 . 4 . . . B 432 LEU HD22 . 17574 1 705 . 1 1 69 69 LEU HD23 H 1 0.815 0.02 . 4 . . . B 432 LEU HD23 . 17574 1 706 . 1 1 69 69 LEU C C 13 177.51 0.30 . 1 . . . B 432 LEU C . 17574 1 707 . 1 1 69 69 LEU CA C 13 56.903 0.30 . 1 . . . B 432 LEU CA . 17574 1 708 . 1 1 69 69 LEU CB C 13 42.494 0.30 . 1 . . . B 432 LEU CB . 17574 1 709 . 1 1 69 69 LEU N N 15 114.492 0.30 . 1 . . . B 432 LEU N . 17574 1 710 . 1 1 70 70 ARG H H 1 7.294 0.02 . 1 . . . B 433 ARG H . 17574 1 711 . 1 1 70 70 ARG HA H 1 4.242 0.02 . 1 . . . B 433 ARG HA . 17574 1 712 . 1 1 70 70 ARG HB2 H 1 2.047 0.02 . 2 . . . B 433 ARG HB2 . 17574 1 713 . 1 1 70 70 ARG HB3 H 1 2.047 0.02 . 2 . . . B 433 ARG HB3 . 17574 1 714 . 1 1 70 70 ARG HG2 H 1 1.784 0.02 . 2 . . . B 433 ARG HG2 . 17574 1 715 . 1 1 70 70 ARG HG3 H 1 2.045 0.02 . 2 . . . B 433 ARG HG3 . 17574 1 716 . 1 1 70 70 ARG HD2 H 1 3.296 0.02 . 2 . . . B 433 ARG HD2 . 17574 1 717 . 1 1 70 70 ARG HD3 H 1 3.296 0.02 . 2 . . . B 433 ARG HD3 . 17574 1 718 . 1 1 70 70 ARG C C 13 176.722 0.30 . 1 . . . B 433 ARG C . 17574 1 719 . 1 1 70 70 ARG CA C 13 56.903 0.30 . 1 . . . B 433 ARG CA . 17574 1 720 . 1 1 70 70 ARG CB C 13 30.797 0.30 . 1 . . . B 433 ARG CB . 17574 1 721 . 1 1 70 70 ARG CG C 13 28.185 0.30 . 1 . . . B 433 ARG CG . 17574 1 722 . 1 1 70 70 ARG CD C 13 43.815 0.30 . 1 . . . B 433 ARG CD . 17574 1 723 . 1 1 70 70 ARG N N 15 115.124 0.30 . 1 . . . B 433 ARG N . 17574 1 724 . 1 1 71 71 ASP H H 1 7.760 0.02 . 1 . . . B 434 ASP H . 17574 1 725 . 1 1 71 71 ASP HA H 1 4.841 0.02 . 1 . . . B 434 ASP HA . 17574 1 726 . 1 1 71 71 ASP HB2 H 1 2.557 0.02 . 2 . . . B 434 ASP HB2 . 17574 1 727 . 1 1 71 71 ASP HB3 H 1 3.530 0.02 . 2 . . . B 434 ASP HB3 . 17574 1 728 . 1 1 71 71 ASP C C 13 175.105 0.30 . 1 . . . B 434 ASP C . 17574 1 729 . 1 1 71 71 ASP CA C 13 52.324 0.30 . 1 . . . B 434 ASP CA . 17574 1 730 . 1 1 71 71 ASP CB C 13 39.447 0.30 . 1 . . . B 434 ASP CB . 17574 1 731 . 1 1 71 71 ASP N N 15 120.903 0.30 . 1 . . . B 434 ASP N . 17574 1 732 . 1 1 72 72 LYS H H 1 7.876 0.02 . 1 . . . B 435 LYS H . 17574 1 733 . 1 1 72 72 LYS HA H 1 3.940 0.02 . 1 . . . B 435 LYS HA . 17574 1 734 . 1 1 72 72 LYS HB2 H 1 1.948 0.02 . 2 . . . B 435 LYS HB2 . 17574 1 735 . 1 1 72 72 LYS HB3 H 1 1.948 0.02 . 2 . . . B 435 LYS HB3 . 17574 1 736 . 1 1 72 72 LYS HG2 H 1 1.582 0.02 . 2 . . . B 435 LYS HG2 . 17574 1 737 . 1 1 72 72 LYS HG3 H 1 1.582 0.02 . 2 . . . B 435 LYS HG3 . 17574 1 738 . 1 1 72 72 LYS HD2 H 1 1.693 0.02 . 2 . . . B 435 LYS HD2 . 17574 1 739 . 1 1 72 72 LYS HD3 H 1 1.693 0.02 . 2 . . . B 435 LYS HD3 . 17574 1 740 . 1 1 72 72 LYS HE2 H 1 3.084 0.02 . 2 . . . B 435 LYS HE2 . 17574 1 741 . 1 1 72 72 LYS HE3 H 1 3.084 0.02 . 2 . . . B 435 LYS HE3 . 17574 1 742 . 1 1 72 72 LYS C C 13 178.64 0.30 . 1 . . . B 435 LYS C . 17574 1 743 . 1 1 72 72 LYS CA C 13 59.248 0.30 . 1 . . . B 435 LYS CA . 17574 1 744 . 1 1 72 72 LYS CB C 13 32.075 0.30 . 1 . . . B 435 LYS CB . 17574 1 745 . 1 1 72 72 LYS CG C 13 24.668 0.30 . 1 . . . B 435 LYS CG . 17574 1 746 . 1 1 72 72 LYS CD C 13 28.771 0.30 . 1 . . . B 435 LYS CD . 17574 1 747 . 1 1 72 72 LYS CE C 13 42.251 0.30 . 1 . . . B 435 LYS CE . 17574 1 748 . 1 1 72 72 LYS N N 15 122.945 0.30 . 1 . . . B 435 LYS N . 17574 1 749 . 1 1 73 73 LYS H H 1 8.224 0.02 . 1 . . . B 436 LYS H . 17574 1 750 . 1 1 73 73 LYS HA H 1 4.178 0.02 . 1 . . . B 436 LYS HA . 17574 1 751 . 1 1 73 73 LYS HB2 H 1 1.954 0.02 . 2 . . . B 436 LYS HB2 . 17574 1 752 . 1 1 73 73 LYS HB3 H 1 1.954 0.02 . 2 . . . B 436 LYS HB3 . 17574 1 753 . 1 1 73 73 LYS HG2 H 1 1.469 0.02 . 2 . . . B 436 LYS HG2 . 17574 1 754 . 1 1 73 73 LYS HG3 H 1 1.469 0.02 . 2 . . . B 436 LYS HG3 . 17574 1 755 . 1 1 73 73 LYS HD2 H 1 1.754 0.02 . 2 . . . B 436 LYS HD2 . 17574 1 756 . 1 1 73 73 LYS HD3 H 1 1.754 0.02 . 2 . . . B 436 LYS HD3 . 17574 1 757 . 1 1 73 73 LYS HE2 H 1 3.042 0.02 . 2 . . . B 436 LYS HE2 . 17574 1 758 . 1 1 73 73 LYS HE3 H 1 3.042 0.02 . 2 . . . B 436 LYS HE3 . 17574 1 759 . 1 1 73 73 LYS C C 13 179.571 0.30 . 1 . . . B 436 LYS C . 17574 1 760 . 1 1 73 73 LYS CA C 13 59.248 0.30 . 1 . . . B 436 LYS CA . 17574 1 761 . 1 1 73 73 LYS CB C 13 31.78 0.30 . 1 . . . B 436 LYS CB . 17574 1 762 . 1 1 73 73 LYS CG C 13 24.668 0.30 . 1 . . . B 436 LYS CG . 17574 1 763 . 1 1 73 73 LYS CD C 13 29.357 0.30 . 1 . . . B 436 LYS CD . 17574 1 764 . 1 1 73 73 LYS CE C 13 42.251 0.30 . 1 . . . B 436 LYS CE . 17574 1 765 . 1 1 73 73 LYS N N 15 118.644 0.30 . 1 . . . B 436 LYS N . 17574 1 766 . 1 1 74 74 MET H H 1 7.598 0.02 . 1 . . . B 437 MET H . 17574 1 767 . 1 1 74 74 MET HA H 1 4.285 0.02 . 1 . . . B 437 MET HA . 17574 1 768 . 1 1 74 74 MET HB2 H 1 2.182 0.02 . 2 . . . B 437 MET HB2 . 17574 1 769 . 1 1 74 74 MET HB3 H 1 2.182 0.02 . 2 . . . B 437 MET HB3 . 17574 1 770 . 1 1 74 74 MET C C 13 178.448 0.30 . 1 . . . B 437 MET C . 17574 1 771 . 1 1 74 74 MET CA C 13 58.222 0.30 . 1 . . . B 437 MET CA . 17574 1 772 . 1 1 74 74 MET CB C 13 31.19 0.30 . 1 . . . B 437 MET CB . 17574 1 773 . 1 1 74 74 MET N N 15 122.189 0.30 . 1 . . . B 437 MET N . 17574 1 774 . 1 1 75 75 LEU H H 1 8.288 0.02 . 1 . . . B 438 LEU H . 17574 1 775 . 1 1 75 75 LEU HA H 1 4.073 0.02 . 1 . . . B 438 LEU HA . 17574 1 776 . 1 1 75 75 LEU HB2 H 1 1.488 0.02 . 2 . . . B 438 LEU HB2 . 17574 1 777 . 1 1 75 75 LEU HB3 H 1 1.861 0.02 . 2 . . . B 438 LEU HB3 . 17574 1 778 . 1 1 75 75 LEU HG H 1 2.019 0.02 . 1 . . . B 438 LEU HG . 17574 1 779 . 1 1 75 75 LEU HD11 H 1 0.944 0.02 . 4 . . . B 438 LEU HD11 . 17574 1 780 . 1 1 75 75 LEU HD12 H 1 0.944 0.02 . 4 . . . B 438 LEU HD12 . 17574 1 781 . 1 1 75 75 LEU HD13 H 1 0.944 0.02 . 4 . . . B 438 LEU HD13 . 17574 1 782 . 1 1 75 75 LEU HD21 H 1 0.822 0.02 . 4 . . . B 438 LEU HD21 . 17574 1 783 . 1 1 75 75 LEU HD22 H 1 0.822 0.02 . 4 . . . B 438 LEU HD22 . 17574 1 784 . 1 1 75 75 LEU HD23 H 1 0.822 0.02 . 4 . . . B 438 LEU HD23 . 17574 1 785 . 1 1 75 75 LEU C C 13 179.681 0.30 . 1 . . . B 438 LEU C . 17574 1 786 . 1 1 75 75 LEU CA C 13 58.123 0.30 . 1 . . . B 438 LEU CA . 17574 1 787 . 1 1 75 75 LEU CB C 13 41.806 0.30 . 1 . . . B 438 LEU CB . 17574 1 788 . 1 1 75 75 LEU CG C 13 26.231 0.30 . 1 . . . B 438 LEU CG . 17574 1 789 . 1 1 75 75 LEU CD1 C 13 24.961 0.30 . 2 . . . B 438 LEU CD1 . 17574 1 790 . 1 1 75 75 LEU CD2 C 13 24.961 0.30 . 2 . . . B 438 LEU CD2 . 17574 1 791 . 1 1 75 75 LEU N N 15 119.301 0.30 . 1 . . . B 438 LEU N . 17574 1 792 . 1 1 76 76 ASP H H 1 8.193 0.02 . 1 . . . B 439 ASP H . 17574 1 793 . 1 1 76 76 ASP HA H 1 4.504 0.02 . 1 . . . B 439 ASP HA . 17574 1 794 . 1 1 76 76 ASP HB2 H 1 2.637 0.02 . 2 . . . B 439 ASP HB2 . 17574 1 795 . 1 1 76 76 ASP HB3 H 1 2.854 0.02 . 2 . . . B 439 ASP HB3 . 17574 1 796 . 1 1 76 76 ASP C C 13 178.092 0.30 . 1 . . . B 439 ASP C . 17574 1 797 . 1 1 76 76 ASP CA C 13 57.435 0.30 . 1 . . . B 439 ASP CA . 17574 1 798 . 1 1 76 76 ASP CB C 13 41.079 0.30 . 1 . . . B 439 ASP CB . 17574 1 799 . 1 1 76 76 ASP N N 15 118.142 0.30 . 1 . . . B 439 ASP N . 17574 1 800 . 1 1 77 77 PHE H H 1 7.750 0.02 . 1 . . . B 440 PHE H . 17574 1 801 . 1 1 77 77 PHE HA H 1 4.091 0.02 . 1 . . . B 440 PHE HA . 17574 1 802 . 1 1 77 77 PHE HB2 H 1 3.185 0.02 . 2 . . . B 440 PHE HB2 . 17574 1 803 . 1 1 77 77 PHE HB3 H 1 3.185 0.02 . 2 . . . B 440 PHE HB3 . 17574 1 804 . 1 1 77 77 PHE HD1 H 1 7.036 0.02 . 2 . . . B 440 PHE HD1 . 17574 1 805 . 1 1 77 77 PHE HD2 H 1 7.036 0.02 . 2 . . . B 440 PHE HD2 . 17574 1 806 . 1 1 77 77 PHE HE1 H 1 6.458 0.02 . 2 . . . B 440 PHE HE1 . 17574 1 807 . 1 1 77 77 PHE HE2 H 1 6.459 0.02 . 2 . . . B 440 PHE HE2 . 17574 1 808 . 1 1 77 77 PHE HZ H 1 7.040 0.02 . 2 . . . B 440 PHE HZ . 17574 1 809 . 1 1 77 77 PHE C C 13 178.667 0.30 . 1 . . . B 440 PHE C . 17574 1 810 . 1 1 77 77 PHE CA C 13 61.859 0.30 . 1 . . . B 440 PHE CA . 17574 1 811 . 1 1 77 77 PHE CB C 13 38.759 0.30 . 1 . . . B 440 PHE CB . 17574 1 812 . 1 1 77 77 PHE N N 15 119.802 0.30 . 1 . . . B 440 PHE N . 17574 1 813 . 1 1 78 78 TYR H H 1 8.358 0.02 . 1 . . . B 441 TYR H . 17574 1 814 . 1 1 78 78 TYR HA H 1 4.112 0.02 . 1 . . . B 441 TYR HA . 17574 1 815 . 1 1 78 78 TYR HB2 H 1 3.366 0.02 . 2 . . . B 441 TYR HB2 . 17574 1 816 . 1 1 78 78 TYR HB3 H 1 3.366 0.02 . 2 . . . B 441 TYR HB3 . 17574 1 817 . 1 1 78 78 TYR HD1 H 1 7.400 0.02 . 2 . . . B 441 TYR HD1 . 17574 1 818 . 1 1 78 78 TYR HD2 H 1 7.403 0.02 . 2 . . . B 441 TYR HD2 . 17574 1 819 . 1 1 78 78 TYR HE1 H 1 6.898 0.02 . 2 . . . B 441 TYR HE1 . 17574 1 820 . 1 1 78 78 TYR HE2 H 1 6.898 0.02 . 2 . . . B 441 TYR HE2 . 17574 1 821 . 1 1 78 78 TYR C C 13 178.53 0.30 . 1 . . . B 441 TYR C . 17574 1 822 . 1 1 78 78 TYR CA C 13 63.53 0.30 . 1 . . . B 441 TYR CA . 17574 1 823 . 1 1 78 78 TYR CB C 13 38.071 0.30 . 1 . . . B 441 TYR CB . 17574 1 824 . 1 1 78 78 TYR N N 15 117.995 0.30 . 1 . . . B 441 TYR N . 17574 1 825 . 1 1 79 79 ALA H H 1 8.787 0.02 . 1 . . . B 442 ALA H . 17574 1 826 . 1 1 79 79 ALA HA H 1 4.203 0.02 . 1 . . . B 442 ALA HA . 17574 1 827 . 1 1 79 79 ALA HB1 H 1 1.593 0.02 . 1 . . . B 442 ALA HB1 . 17574 1 828 . 1 1 79 79 ALA HB2 H 1 1.593 0.02 . 1 . . . B 442 ALA HB2 . 17574 1 829 . 1 1 79 79 ALA HB3 H 1 1.593 0.02 . 1 . . . B 442 ALA HB3 . 17574 1 830 . 1 1 79 79 ALA C C 13 181.27 0.30 . 1 . . . B 442 ALA C . 17574 1 831 . 1 1 79 79 ALA CA C 13 55.961 0.30 . 1 . . . B 442 ALA CA . 17574 1 832 . 1 1 79 79 ALA CB C 13 18.019 0.30 . 1 . . . B 442 ALA CB . 17574 1 833 . 1 1 79 79 ALA N N 15 123.695 0.30 . 1 . . . B 442 ALA N . 17574 1 834 . 1 1 80 80 LYS H H 1 7.901 0.02 . 1 . . . B 443 LYS H . 17574 1 835 . 1 1 80 80 LYS HA H 1 3.987 0.02 . 1 . . . B 443 LYS HA . 17574 1 836 . 1 1 80 80 LYS HB2 H 1 1.771 0.02 . 2 . . . B 443 LYS HB2 . 17574 1 837 . 1 1 80 80 LYS HB3 H 1 1.771 0.02 . 2 . . . B 443 LYS HB3 . 17574 1 838 . 1 1 80 80 LYS HG2 H 1 1.370 0.02 . 2 . . . B 443 LYS HG2 . 17574 1 839 . 1 1 80 80 LYS HG3 H 1 1.573 0.02 . 2 . . . B 443 LYS HG3 . 17574 1 840 . 1 1 80 80 LYS HD2 H 1 1.601 0.02 . 2 . . . B 443 LYS HD2 . 17574 1 841 . 1 1 80 80 LYS HD3 H 1 1.601 0.02 . 2 . . . B 443 LYS HD3 . 17574 1 842 . 1 1 80 80 LYS HE2 H 1 2.947 0.02 . 2 . . . B 443 LYS HE2 . 17574 1 843 . 1 1 80 80 LYS HE3 H 1 2.947 0.02 . 2 . . . B 443 LYS HE3 . 17574 1 844 . 1 1 80 80 LYS C C 13 179.133 0.30 . 1 . . . B 443 LYS C . 17574 1 845 . 1 1 80 80 LYS CA C 13 59.248 0.30 . 1 . . . B 443 LYS CA . 17574 1 846 . 1 1 80 80 LYS CB C 13 31.878 0.30 . 1 . . . B 443 LYS CB . 17574 1 847 . 1 1 80 80 LYS CG C 13 25.841 0.30 . 1 . . . B 443 LYS CG . 17574 1 848 . 1 1 80 80 LYS CD C 13 29.357 0.30 . 1 . . . B 443 LYS CD . 17574 1 849 . 1 1 80 80 LYS CE C 13 42.251 0.30 . 1 . . . B 443 LYS CE . 17574 1 850 . 1 1 80 80 LYS N N 15 119.243 0.30 . 1 . . . B 443 LYS N . 17574 1 851 . 1 1 81 81 GLN H H 1 7.569 0.02 . 1 . . . B 444 GLN H . 17574 1 852 . 1 1 81 81 GLN HA H 1 3.860 0.02 . 1 . . . B 444 GLN HA . 17574 1 853 . 1 1 81 81 GLN HB2 H 1 1.961 0.02 . 2 . . . B 444 GLN HB2 . 17574 1 854 . 1 1 81 81 GLN HB3 H 1 1.961 0.02 . 2 . . . B 444 GLN HB3 . 17574 1 855 . 1 1 81 81 GLN HG2 H 1 2.112 0.02 . 2 . . . B 444 GLN HG2 . 17574 1 856 . 1 1 81 81 GLN HG3 H 1 2.112 0.02 . 2 . . . B 444 GLN HG3 . 17574 1 857 . 1 1 81 81 GLN HE21 H 1 7.042 0.02 . 2 . . . B 444 GLN HE21 . 17574 1 858 . 1 1 81 81 GLN HE22 H 1 6.962 0.02 . 2 . . . B 444 GLN HE22 . 17574 1 859 . 1 1 81 81 GLN C C 13 178.229 0.30 . 1 . . . B 444 GLN C . 17574 1 860 . 1 1 81 81 GLN CA C 13 58.713 0.30 . 1 . . . B 444 GLN CA . 17574 1 861 . 1 1 81 81 GLN CB C 13 29.028 0.30 . 1 . . . B 444 GLN CB . 17574 1 862 . 1 1 81 81 GLN CG C 13 34.186 0.30 . 1 . . . B 444 GLN CG . 17574 1 863 . 1 1 81 81 GLN N N 15 119.854 0.30 . 1 . . . B 444 GLN N . 17574 1 864 . 1 1 81 81 GLN NE2 N 15 111.797 0.30 . 1 . . . B 444 GLN NE2 . 17574 1 865 . 1 1 82 82 ARG H H 1 8.129 0.02 . 1 . . . B 445 ARG H . 17574 1 866 . 1 1 82 82 ARG HA H 1 3.313 0.02 . 1 . . . B 445 ARG HA . 17574 1 867 . 1 1 82 82 ARG HB2 H 1 1.751 0.02 . 2 . . . B 445 ARG HB2 . 17574 1 868 . 1 1 82 82 ARG HB3 H 1 1.751 0.02 . 2 . . . B 445 ARG HB3 . 17574 1 869 . 1 1 82 82 ARG C C 13 177.6 0.30 . 1 . . . B 445 ARG C . 17574 1 870 . 1 1 82 82 ARG CA C 13 58.615 0.30 . 1 . . . B 445 ARG CA . 17574 1 871 . 1 1 82 82 ARG CB C 13 29.913 0.30 . 1 . . . B 445 ARG CB . 17574 1 872 . 1 1 82 82 ARG CD C 13 44.299 0.30 . 1 . . . B 445 ARG CD . 17574 1 873 . 1 1 82 82 ARG N N 15 119.375 0.30 . 1 . . . B 445 ARG N . 17574 1 874 . 1 1 83 83 ALA H H 1 7.522 0.02 . 1 . . . B 446 ALA H . 17574 1 875 . 1 1 83 83 ALA HA H 1 4.096 0.02 . 1 . . . B 446 ALA HA . 17574 1 876 . 1 1 83 83 ALA HB1 H 1 1.443 0.02 . 1 . . . B 446 ALA HB1 . 17574 1 877 . 1 1 83 83 ALA HB2 H 1 1.443 0.02 . 1 . . . B 446 ALA HB2 . 17574 1 878 . 1 1 83 83 ALA HB3 H 1 1.443 0.02 . 1 . . . B 446 ALA HB3 . 17574 1 879 . 1 1 83 83 ALA C C 13 177.599 0.30 . 1 . . . B 446 ALA C . 17574 1 880 . 1 1 83 83 ALA CA C 13 53.307 0.30 . 1 . . . B 446 ALA CA . 17574 1 881 . 1 1 83 83 ALA CB C 13 18.314 0.30 . 1 . . . B 446 ALA CB . 17574 1 882 . 1 1 83 83 ALA N N 15 119.672 0.30 . 1 . . . B 446 ALA N . 17574 1 883 . 1 1 84 84 ALA H H 1 7.304 0.02 . 1 . . . B 447 ALA H . 17574 1 884 . 1 1 84 84 ALA HA H 1 4.268 0.02 . 1 . . . B 447 ALA HA . 17574 1 885 . 1 1 84 84 ALA HB1 H 1 1.382 0.02 . 1 . . . B 447 ALA HB1 . 17574 1 886 . 1 1 84 84 ALA HB2 H 1 1.382 0.02 . 1 . . . B 447 ALA HB2 . 17574 1 887 . 1 1 84 84 ALA HB3 H 1 1.382 0.02 . 1 . . . B 447 ALA HB3 . 17574 1 888 . 1 1 84 84 ALA C C 13 177.434 0.30 . 1 . . . B 447 ALA C . 17574 1 889 . 1 1 84 84 ALA CA C 13 52.127 0.30 . 1 . . . B 447 ALA CA . 17574 1 890 . 1 1 84 84 ALA CB C 13 18.903 0.30 . 1 . . . B 447 ALA CB . 17574 1 891 . 1 1 84 84 ALA N N 15 119.511 0.30 . 1 . . . B 447 ALA N . 17574 1 892 . 1 1 85 85 ILE H H 1 7.346 0.02 . 1 . . . B 448 ILE H . 17574 1 893 . 1 1 85 85 ILE HA H 1 4.247 0.02 . 1 . . . B 448 ILE HA . 17574 1 894 . 1 1 85 85 ILE HB H 1 1.777 0.02 . 1 . . . B 448 ILE HB . 17574 1 895 . 1 1 85 85 ILE HG12 H 1 1.089 0.02 . 4 . . . B 448 ILE HG12 . 17574 1 896 . 1 1 85 85 ILE HG13 H 1 1.371 0.02 . 4 . . . B 448 ILE HG13 . 17574 1 897 . 1 1 85 85 ILE HG21 H 1 0.580 0.02 . 1 . . . B 448 ILE HG21 . 17574 1 898 . 1 1 85 85 ILE HG22 H 1 0.580 0.02 . 1 . . . B 448 ILE HG22 . 17574 1 899 . 1 1 85 85 ILE HG23 H 1 0.580 0.02 . 1 . . . B 448 ILE HG23 . 17574 1 900 . 1 1 85 85 ILE HD11 H 1 0.870 0.02 . 4 . . . B 448 ILE HD11 . 17574 1 901 . 1 1 85 85 ILE HD12 H 1 0.870 0.02 . 4 . . . B 448 ILE HD12 . 17574 1 902 . 1 1 85 85 ILE HD13 H 1 0.870 0.02 . 4 . . . B 448 ILE HD13 . 17574 1 903 . 1 1 85 85 ILE CA C 13 59.309 0.30 . 1 . . . B 448 ILE CA . 17574 1 904 . 1 1 85 85 ILE CB C 13 37.938 0.30 . 1 . . . B 448 ILE CB . 17574 1 905 . 1 1 85 85 ILE CG1 C 13 16.4 0.30 . 2 . . . B 448 ILE CG1 . 17574 1 906 . 1 1 85 85 ILE CG2 C 13 12.368 0.30 . 1 . . . B 448 ILE CG2 . 17574 1 907 . 1 1 85 85 ILE CD1 C 13 17.05 0.30 . 1 . . . B 448 ILE CD1 . 17574 1 908 . 1 1 85 85 ILE N N 15 121.824 0.30 . 1 . . . B 448 ILE N . 17574 1 909 . 1 1 86 86 PRO HA H 1 4.400 0.02 . 1 . . . B 449 PRO HA . 17574 1 910 . 1 1 86 86 PRO HB2 H 1 1.987 0.02 . 2 . . . B 449 PRO HB2 . 17574 1 911 . 1 1 86 86 PRO HB3 H 1 2.285 0.02 . 2 . . . B 449 PRO HB3 . 17574 1 912 . 1 1 86 86 PRO HG2 H 1 2.055 0.02 . 2 . . . B 449 PRO HG2 . 17574 1 913 . 1 1 86 86 PRO HG3 H 1 2.055 0.02 . 2 . . . B 449 PRO HG3 . 17574 1 914 . 1 1 86 86 PRO HD2 H 1 3.661 0.02 . 2 . . . B 449 PRO HD2 . 17574 1 915 . 1 1 86 86 PRO HD3 H 1 3.944 0.02 . 2 . . . B 449 PRO HD3 . 17574 1 916 . 1 1 86 86 PRO C C 13 176.941 0.30 . 1 . . . B 449 PRO C . 17574 1 917 . 1 1 86 86 PRO CA C 13 63.333 0.30 . 1 . . . B 449 PRO CA . 17574 1 918 . 1 1 86 86 PRO CB C 13 31.878 0.30 . 1 . . . B 449 PRO CB . 17574 1 919 . 1 1 86 86 PRO CG C 13 27.013 0.30 . 1 . . . B 449 PRO CG . 17574 1 920 . 1 1 86 86 PRO CD C 13 51.042 0.30 . 1 . . . B 449 PRO CD . 17574 1 921 . 1 1 87 87 ARG H H 1 8.427 0.02 . 1 . . . B 450 ARG H . 17574 1 922 . 1 1 87 87 ARG HA H 1 4.364 0.02 . 1 . . . B 450 ARG HA . 17574 1 923 . 1 1 87 87 ARG HB2 H 1 1.761 0.02 . 2 . . . B 450 ARG HB2 . 17574 1 924 . 1 1 87 87 ARG HB3 H 1 1.871 0.02 . 2 . . . B 450 ARG HB3 . 17574 1 925 . 1 1 87 87 ARG HG2 H 1 1.651 0.02 . 2 . . . B 450 ARG HG2 . 17574 1 926 . 1 1 87 87 ARG HG3 H 1 1.651 0.02 . 2 . . . B 450 ARG HG3 . 17574 1 927 . 1 1 87 87 ARG HD2 H 1 3.152 0.02 . 2 . . . B 450 ARG HD2 . 17574 1 928 . 1 1 87 87 ARG HD3 H 1 3.152 0.02 . 2 . . . B 450 ARG HD3 . 17574 1 929 . 1 1 87 87 ARG C C 13 176.53 0.30 . 1 . . . B 450 ARG C . 17574 1 930 . 1 1 87 87 ARG CA C 13 55.731 0.30 . 1 . . . B 450 ARG CA . 17574 1 931 . 1 1 87 87 ARG CB C 13 30.797 0.30 . 1 . . . B 450 ARG CB . 17574 1 932 . 1 1 87 87 ARG CG C 13 27.013 0.30 . 1 . . . B 450 ARG CG . 17574 1 933 . 1 1 87 87 ARG CD C 13 43.423 0.30 . 1 . . . B 450 ARG CD . 17574 1 934 . 1 1 87 87 ARG N N 15 122.053 0.30 . 1 . . . B 450 ARG N . 17574 1 935 . 1 1 88 88 SER H H 1 8.384 0.02 . 1 . . . B 451 SER H . 17574 1 936 . 1 1 88 88 SER HA H 1 4.413 0.02 . 1 . . . B 451 SER HA . 17574 1 937 . 1 1 88 88 SER HB2 H 1 3.890 0.02 . 2 . . . B 451 SER HB2 . 17574 1 938 . 1 1 88 88 SER HB3 H 1 3.890 0.02 . 2 . . . B 451 SER HB3 . 17574 1 939 . 1 1 88 88 SER C C 13 174.448 0.30 . 1 . . . B 451 SER C . 17574 1 940 . 1 1 88 88 SER CA C 13 58.32 0.30 . 1 . . . B 451 SER CA . 17574 1 941 . 1 1 88 88 SER CB C 13 63.825 0.30 . 1 . . . B 451 SER CB . 17574 1 942 . 1 1 88 88 SER N N 15 117.011 0.30 . 1 . . . B 451 SER N . 17574 1 943 . 1 1 89 89 GLU H H 1 8.473 0.02 . 1 . . . B 452 GLU H . 17574 1 944 . 1 1 89 89 GLU HA H 1 4.400 0.02 . 1 . . . B 452 GLU HA . 17574 1 945 . 1 1 89 89 GLU HB2 H 1 1.902 0.02 . 2 . . . B 452 GLU HB2 . 17574 1 946 . 1 1 89 89 GLU HB3 H 1 2.147 0.02 . 2 . . . B 452 GLU HB3 . 17574 1 947 . 1 1 89 89 GLU HG2 H 1 2.239 0.02 . 2 . . . B 452 GLU HG2 . 17574 1 948 . 1 1 89 89 GLU HG3 H 1 2.239 0.02 . 2 . . . B 452 GLU HG3 . 17574 1 949 . 1 1 89 89 GLU C C 13 175.626 0.30 . 1 . . . B 452 GLU C . 17574 1 950 . 1 1 89 89 GLU CA C 13 56.551 0.30 . 1 . . . B 452 GLU CA . 17574 1 951 . 1 1 89 89 GLU CB C 13 30.306 0.30 . 1 . . . B 452 GLU CB . 17574 1 952 . 1 1 89 89 GLU CG C 13 36.233 0.30 . 1 . . . B 452 GLU CG . 17574 1 953 . 1 1 89 89 GLU N N 15 123.186 0.30 . 1 . . . B 452 GLU N . 17574 1 954 . 1 1 90 90 SER H H 1 7.961 0.02 . 1 . . . B 453 SER H . 17574 1 955 . 1 1 90 90 SER HA H 1 4.273 0.02 . 1 . . . B 453 SER HA . 17574 1 956 . 1 1 90 90 SER HB2 H 1 3.851 0.02 . 2 . . . B 453 SER HB2 . 17574 1 957 . 1 1 90 90 SER HB3 H 1 3.851 0.02 . 2 . . . B 453 SER HB3 . 17574 1 958 . 1 1 90 90 SER CA C 13 59.834 0.30 . 1 . . . B 453 SER CA . 17574 1 959 . 1 1 90 90 SER CB C 13 65.109 0.30 . 1 . . . B 453 SER CB . 17574 1 960 . 1 1 90 90 SER N N 15 122.113 0.30 . 1 . . . B 453 SER N . 17574 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 6 17574 1 1 7 17574 1 1 8 17574 1 2 86 17574 1 2 87 17574 1 2 88 17574 1 2 89 17574 1 2 90 17574 1 2 91 17574 1 3 120 17574 1 3 121 17574 1 3 122 17574 1 3 123 17574 1 3 124 17574 1 3 125 17574 1 4 138 17574 1 4 139 17574 1 4 140 17574 1 5 181 17574 1 5 182 17574 1 5 183 17574 1 5 184 17574 1 5 185 17574 1 5 186 17574 1 6 209 17574 1 6 210 17574 1 6 211 17574 1 6 212 17574 1 6 213 17574 1 6 214 17574 1 7 244 17574 1 7 245 17574 1 7 246 17574 1 7 247 17574 1 7 248 17574 1 7 249 17574 1 8 268 17574 1 8 269 17574 1 8 270 17574 1 8 271 17574 1 8 272 17574 1 8 273 17574 1 9 368 17574 1 9 369 17574 1 9 370 17574 1 10 383 17574 1 10 384 17574 1 10 385 17574 1 10 386 17574 1 10 387 17574 1 10 388 17574 1 11 418 17574 1 11 419 17574 1 11 420 17574 1 11 421 17574 1 11 422 17574 1 11 423 17574 1 12 462 17574 1 12 463 17574 1 12 464 17574 1 12 465 17574 1 12 466 17574 1 12 467 17574 1 13 479 17574 1 13 480 17574 1 13 481 17574 1 13 482 17574 1 13 483 17574 1 13 484 17574 1 14 516 17574 1 14 517 17574 1 14 518 17574 1 15 592 17574 1 15 593 17574 1 15 594 17574 1 16 601 17574 1 16 602 17574 1 17 692 17574 1 17 693 17574 1 17 694 17574 1 17 695 17574 1 17 696 17574 1 17 697 17574 1 18 771 17574 1 18 772 17574 1 18 773 17574 1 18 774 17574 1 18 775 17574 1 18 776 17574 1 19 887 17574 1 19 888 17574 1 20 892 17574 1 20 893 17574 1 20 894 17574 1 stop_ save_