data_19738 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19738 _Entry.Title ; Solution structures of second bromodomain of Brd4 with Di-acetylated Twist peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-01-16 _Entry.Accession_date 2014-01-16 _Entry.Last_release_date 2014-03-17 _Entry.Original_release_date 2014-03-17 _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 Lei Zeng . . . 19738 2 Ming-Ming Zhou . . . 19738 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' . 19738 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Brd4 . 19738 bromodomain . 19738 di-acetylated . 19738 Tumorigenesis . 19738 Twist . 19738 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19738 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 454 19738 '15N chemical shifts' 118 19738 '1H chemical shifts' 874 19738 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-03-17 2014-01-16 original author . 19738 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mjv 'BMRB Entry Tracking System' 19738 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19738 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24525235 _Citation.Full_citation . _Citation.Title 'Disrupting the Interaction of BRD4 with Diacetylated Twist Suppresses Tumorigenesis in Basal-like Breast Cancer' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cancer Cell' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 2 _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 210 _Citation.Page_last 225 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jian Shi . . . 19738 1 2 Yifan Wang . . . 19738 1 3 Lei Zeng . . . 19738 1 4 Yadi Wu . . . 19738 1 5 Jiong Deng . . . 19738 1 6 Qiang Zhang . . . 19738 1 7 Yiwei Lin . . . 19738 1 8 Junlin Li . . . 19738 1 9 Tiebang Kang . . . 19738 1 10 Min Tao . . . 19738 1 11 Elena Rusinova . . . 19738 1 12 Guangtao Zhang . . . 19738 1 13 Chi Wang . . . 19738 1 14 Haining Zhu . . . 19738 1 15 Jun Yao . . . 19738 1 16 Yi-Xin Zeng . . . 19738 1 17 B. Evers . Mark . 19738 1 18 Ming-Ming Zhou . . . 19738 1 19 Binhua Zhou . P. . 19738 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19738 _Assembly.ID 1 _Assembly.Name 'second bromodomain of Brd4 with Di-acetylated Twist peptide' _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 entity_1 1 $entity_1 A . yes native no no . . . 19738 1 2 entity_2 2 $entity_2 B . yes native no no . . . 19738 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19738 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code SPAQGXRGXKSA _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1300.477 _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 . SER . 19738 1 2 . PRO . 19738 1 3 . ALA . 19738 1 4 . GLN . 19738 1 5 . GLY . 19738 1 6 . ALY . 19738 1 7 . ARG . 19738 1 8 . GLY . 19738 1 9 . ALY . 19738 1 10 . LYS . 19738 1 11 . SER . 19738 1 12 . ALA . 19738 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 . SER 1 1 19738 1 . PRO 2 2 19738 1 . ALA 3 3 19738 1 . GLN 4 4 19738 1 . GLY 5 5 19738 1 . ALY 6 6 19738 1 . ARG 7 7 19738 1 . GLY 8 8 19738 1 . ALY 9 9 19738 1 . LYS 10 10 19738 1 . SER 11 11 19738 1 . ALA 12 12 19738 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 19738 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KDVPDSQQHPAPEKSSKVSE QLKCCSGILKEMFAKKHAAY AWPFYKPVDVEALGLHDYCD IIKHPMDMSTIKSKLEAREY RDAQEFGADVRLMFSNCYKY NPPDHEVVAMARKLQDVFEM RFAKMPDE ; _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14842.159 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 15057 . Bromodomain-containing_protein_4 . . . . . 82.81 114 100.00 100.00 2.39e-72 . . . . 19738 2 2 no BMRB 18439 . entity_2 . . . . . 100.00 128 100.00 100.00 4.37e-89 . . . . 19738 2 3 no PDB 2I8N . "Solution Structure Of The Second Bromodomain Of Brd4" . . . . . 82.81 114 100.00 100.00 2.41e-72 . . . . 19738 2 4 no PDB 2LSP . "Solution Structures Of Brd4 Second Bromodomain With Nf-kb-k310ac Peptide" . . . . . 100.00 128 100.00 100.00 4.37e-89 . . . . 19738 2 5 no PDB 2MJV . "Solution Structures Of Second Bromodomain Of Brd4 With Di-acetylated Twist Peptide" . . . . . 100.00 128 100.00 100.00 4.37e-89 . . . . 19738 2 6 no PDB 2OUO . "Crystal Structure Of The Bromo Domain 2 In Human Bromodomain Containing Protein 4 (Brd4)" . . . . . 100.00 130 100.00 100.00 3.08e-89 . . . . 19738 2 7 no PDB 2YEM . "Crystal Structure Of The Second Bromodomain Of Human Brd4 With The Inhibitor Gw841819x" . . . . . 100.00 130 100.00 100.00 3.08e-89 . . . . 19738 2 8 no PDB 3JVL . "Crystal Structure Of Bromodomain 2 Of Mouse Brd4" . . . . . 89.06 120 97.37 99.12 6.64e-77 . . . . 19738 2 9 no PDB 3JVM . "Crystal Structure Of Bromodomain 2 Of Mouse Brd4" . . . . . 89.06 120 97.37 99.12 6.64e-77 . . . . 19738 2 10 no PDB 4KV4 . "Brd4 Bromodomain 2 In Complex With Acetylated Rel Peptide" . . . . . 85.16 111 100.00 100.00 7.55e-75 . . . . 19738 2 11 no REF XP_004761195 . "PREDICTED: bromodomain-containing protein 4 isoform X3 [Mustela putorius furo]" . . . . . 100.00 1222 99.22 99.22 1.93e-86 . . . . 19738 2 12 no REF XP_006524755 . "PREDICTED: bromodomain-containing protein 4 isoform X10 [Mus musculus]" . . . . . 100.00 1253 97.66 99.22 7.63e-86 . . . . 19738 2 13 no REF XP_006524756 . "PREDICTED: bromodomain-containing protein 4 isoform X11 [Mus musculus]" . . . . . 100.00 1252 97.66 99.22 7.60e-86 . . . . 19738 2 14 no REF XP_008763395 . "PREDICTED: bromodomain-containing protein 4 isoform X5 [Rattus norvegicus]" . . . . . 100.00 1255 97.66 99.22 7.39e-86 . . . . 19738 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 333 LYS . 19738 2 2 334 ASP . 19738 2 3 335 VAL . 19738 2 4 336 PRO . 19738 2 5 337 ASP . 19738 2 6 338 SER . 19738 2 7 339 GLN . 19738 2 8 340 GLN . 19738 2 9 341 HIS . 19738 2 10 342 PRO . 19738 2 11 343 ALA . 19738 2 12 344 PRO . 19738 2 13 345 GLU . 19738 2 14 346 LYS . 19738 2 15 347 SER . 19738 2 16 348 SER . 19738 2 17 349 LYS . 19738 2 18 350 VAL . 19738 2 19 351 SER . 19738 2 20 352 GLU . 19738 2 21 353 GLN . 19738 2 22 354 LEU . 19738 2 23 355 LYS . 19738 2 24 356 CYS . 19738 2 25 357 CYS . 19738 2 26 358 SER . 19738 2 27 359 GLY . 19738 2 28 360 ILE . 19738 2 29 361 LEU . 19738 2 30 362 LYS . 19738 2 31 363 GLU . 19738 2 32 364 MET . 19738 2 33 365 PHE . 19738 2 34 366 ALA . 19738 2 35 367 LYS . 19738 2 36 368 LYS . 19738 2 37 369 HIS . 19738 2 38 370 ALA . 19738 2 39 371 ALA . 19738 2 40 372 TYR . 19738 2 41 373 ALA . 19738 2 42 374 TRP . 19738 2 43 375 PRO . 19738 2 44 376 PHE . 19738 2 45 377 TYR . 19738 2 46 378 LYS . 19738 2 47 379 PRO . 19738 2 48 380 VAL . 19738 2 49 381 ASP . 19738 2 50 382 VAL . 19738 2 51 383 GLU . 19738 2 52 384 ALA . 19738 2 53 385 LEU . 19738 2 54 386 GLY . 19738 2 55 387 LEU . 19738 2 56 388 HIS . 19738 2 57 389 ASP . 19738 2 58 390 TYR . 19738 2 59 391 CYS . 19738 2 60 392 ASP . 19738 2 61 393 ILE . 19738 2 62 394 ILE . 19738 2 63 395 LYS . 19738 2 64 396 HIS . 19738 2 65 397 PRO . 19738 2 66 398 MET . 19738 2 67 399 ASP . 19738 2 68 400 MET . 19738 2 69 401 SER . 19738 2 70 402 THR . 19738 2 71 403 ILE . 19738 2 72 404 LYS . 19738 2 73 405 SER . 19738 2 74 406 LYS . 19738 2 75 407 LEU . 19738 2 76 408 GLU . 19738 2 77 409 ALA . 19738 2 78 410 ARG . 19738 2 79 411 GLU . 19738 2 80 412 TYR . 19738 2 81 413 ARG . 19738 2 82 414 ASP . 19738 2 83 415 ALA . 19738 2 84 416 GLN . 19738 2 85 417 GLU . 19738 2 86 418 PHE . 19738 2 87 419 GLY . 19738 2 88 420 ALA . 19738 2 89 421 ASP . 19738 2 90 422 VAL . 19738 2 91 423 ARG . 19738 2 92 424 LEU . 19738 2 93 425 MET . 19738 2 94 426 PHE . 19738 2 95 427 SER . 19738 2 96 428 ASN . 19738 2 97 429 CYS . 19738 2 98 430 TYR . 19738 2 99 431 LYS . 19738 2 100 432 TYR . 19738 2 101 433 ASN . 19738 2 102 434 PRO . 19738 2 103 435 PRO . 19738 2 104 436 ASP . 19738 2 105 437 HIS . 19738 2 106 438 GLU . 19738 2 107 439 VAL . 19738 2 108 440 VAL . 19738 2 109 441 ALA . 19738 2 110 442 MET . 19738 2 111 443 ALA . 19738 2 112 444 ARG . 19738 2 113 445 LYS . 19738 2 114 446 LEU . 19738 2 115 447 GLN . 19738 2 116 448 ASP . 19738 2 117 449 VAL . 19738 2 118 450 PHE . 19738 2 119 451 GLU . 19738 2 120 452 MET . 19738 2 121 453 ARG . 19738 2 122 454 PHE . 19738 2 123 455 ALA . 19738 2 124 456 LYS . 19738 2 125 457 MET . 19738 2 126 458 PRO . 19738 2 127 459 ASP . 19738 2 128 460 GLU . 19738 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 . LYS 1 1 19738 2 . ASP 2 2 19738 2 . VAL 3 3 19738 2 . PRO 4 4 19738 2 . ASP 5 5 19738 2 . SER 6 6 19738 2 . GLN 7 7 19738 2 . GLN 8 8 19738 2 . HIS 9 9 19738 2 . PRO 10 10 19738 2 . ALA 11 11 19738 2 . PRO 12 12 19738 2 . GLU 13 13 19738 2 . LYS 14 14 19738 2 . SER 15 15 19738 2 . SER 16 16 19738 2 . LYS 17 17 19738 2 . VAL 18 18 19738 2 . SER 19 19 19738 2 . GLU 20 20 19738 2 . GLN 21 21 19738 2 . LEU 22 22 19738 2 . LYS 23 23 19738 2 . CYS 24 24 19738 2 . CYS 25 25 19738 2 . SER 26 26 19738 2 . GLY 27 27 19738 2 . ILE 28 28 19738 2 . LEU 29 29 19738 2 . LYS 30 30 19738 2 . GLU 31 31 19738 2 . MET 32 32 19738 2 . PHE 33 33 19738 2 . ALA 34 34 19738 2 . LYS 35 35 19738 2 . LYS 36 36 19738 2 . HIS 37 37 19738 2 . ALA 38 38 19738 2 . ALA 39 39 19738 2 . TYR 40 40 19738 2 . ALA 41 41 19738 2 . TRP 42 42 19738 2 . PRO 43 43 19738 2 . PHE 44 44 19738 2 . TYR 45 45 19738 2 . LYS 46 46 19738 2 . PRO 47 47 19738 2 . VAL 48 48 19738 2 . ASP 49 49 19738 2 . VAL 50 50 19738 2 . GLU 51 51 19738 2 . ALA 52 52 19738 2 . LEU 53 53 19738 2 . GLY 54 54 19738 2 . LEU 55 55 19738 2 . HIS 56 56 19738 2 . ASP 57 57 19738 2 . TYR 58 58 19738 2 . CYS 59 59 19738 2 . ASP 60 60 19738 2 . ILE 61 61 19738 2 . ILE 62 62 19738 2 . LYS 63 63 19738 2 . HIS 64 64 19738 2 . PRO 65 65 19738 2 . MET 66 66 19738 2 . ASP 67 67 19738 2 . MET 68 68 19738 2 . SER 69 69 19738 2 . THR 70 70 19738 2 . ILE 71 71 19738 2 . LYS 72 72 19738 2 . SER 73 73 19738 2 . LYS 74 74 19738 2 . LEU 75 75 19738 2 . GLU 76 76 19738 2 . ALA 77 77 19738 2 . ARG 78 78 19738 2 . GLU 79 79 19738 2 . TYR 80 80 19738 2 . ARG 81 81 19738 2 . ASP 82 82 19738 2 . ALA 83 83 19738 2 . GLN 84 84 19738 2 . GLU 85 85 19738 2 . PHE 86 86 19738 2 . GLY 87 87 19738 2 . ALA 88 88 19738 2 . ASP 89 89 19738 2 . VAL 90 90 19738 2 . ARG 91 91 19738 2 . LEU 92 92 19738 2 . MET 93 93 19738 2 . PHE 94 94 19738 2 . SER 95 95 19738 2 . ASN 96 96 19738 2 . CYS 97 97 19738 2 . TYR 98 98 19738 2 . LYS 99 99 19738 2 . TYR 100 100 19738 2 . ASN 101 101 19738 2 . PRO 102 102 19738 2 . PRO 103 103 19738 2 . ASP 104 104 19738 2 . HIS 105 105 19738 2 . GLU 106 106 19738 2 . VAL 107 107 19738 2 . VAL 108 108 19738 2 . ALA 109 109 19738 2 . MET 110 110 19738 2 . ALA 111 111 19738 2 . ARG 112 112 19738 2 . LYS 113 113 19738 2 . LEU 114 114 19738 2 . GLN 115 115 19738 2 . ASP 116 116 19738 2 . VAL 117 117 19738 2 . PHE 118 118 19738 2 . GLU 119 119 19738 2 . MET 120 120 19738 2 . ARG 121 121 19738 2 . PHE 122 122 19738 2 . ALA 123 123 19738 2 . LYS 124 124 19738 2 . MET 125 125 19738 2 . PRO 126 126 19738 2 . ASP 127 127 19738 2 . GLU 128 128 19738 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 19738 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19738 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19738 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 19738 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19738 1 2 2 $entity_2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19738 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ALY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ALY _Chem_comp.Entry_ID 19738 _Chem_comp.ID ALY _Chem_comp.Provenance PDB _Chem_comp.Name N(6)-ACETYLLYSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code ALY _Chem_comp.PDB_code ALY _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code K _Chem_comp.Three_letter_code ALY _Chem_comp.Number_atoms_all 29 _Chem_comp.Number_atoms_nh 13 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID LYS _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C8 H16 N2 O3' _Chem_comp.Formula_weight 188.224 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1E6I _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=O)NCCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 19738 ALY CC(=O)NCCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19738 ALY CC(=O)NCCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 19738 ALY CC(=O)NCCCC[CH](N)C(O)=O SMILES CACTVS 3.341 19738 ALY DTERQYGMUDWYAZ-ZETCQYMHSA-N InChIKey InChI 1.03 19738 ALY InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 InChI InChI 1.03 19738 ALY O=C(NCCCCC(N)C(=O)O)C SMILES ACDLabs 10.04 19738 ALY stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-6-acetamido-2-amino-hexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19738 ALY N~6~-acetyl-L-lysine 'SYSTEMATIC NAME' ACDLabs 10.04 19738 ALY stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID OH OH OH OH . O . . N 0 . . . 1 no no . . . . 9.990 . 20.290 . -7.423 . 1.006 -0.557 4.738 1 . 19738 ALY CH CH CH CH . C . . N 0 . . . 1 no no . . . . 11.031 . 21.048 . -7.196 . -0.053 0.007 4.572 2 . 19738 ALY CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . 11.087 . 21.981 . -6.014 . -0.861 0.460 5.761 3 . 19738 ALY NZ NZ NZ NZ . N . . N 0 . . . 1 no no . . . . 12.165 . 21.027 . -8.042 . -0.509 0.231 3.324 4 . 19738 ALY CE CE CE CE . C . . N 0 . . . 1 no no . . . . 11.999 . 20.068 . -9.164 . 0.275 -0.208 2.167 5 . 19738 ALY CD CD CD CD . C . . N 0 . . . 1 no no . . . . 11.485 . 20.768 . -10.423 . -0.461 0.164 0.879 6 . 19738 ALY CG CG CG CG . C . . N 0 . . . 1 no no . . . . 11.544 . 19.848 . -11.637 . 0.358 -0.294 -0.327 7 . 19738 ALY CB CB CB CB . C . . N 0 . . . 1 no no . . . . 12.935 . 19.885 . -12.249 . -0.377 0.078 -1.615 8 . 19738 ALY CA CA CA CA . C . . S 0 . . . 1 no no . . . . 13.188 . 18.796 . -13.285 . 0.442 -0.381 -2.823 9 . 19738 ALY N N N N . N . . N 0 . . . 1 no no . . . . 14.473 . 19.072 . -13.889 . 1.755 0.276 -2.802 10 . 19738 ALY C C C C . C . . N 0 . . . 1 no no . . . . 12.124 . 18.861 . -14.337 . -0.283 -0.013 -4.092 11 . 19738 ALY O O O O . O . . N 0 . . . 1 no no . . . . 12.100 . 19.891 . -15.140 . -0.079 1.056 -4.616 12 . 19738 ALY OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 11.219 . 17.899 . -14.413 . -1.155 -0.873 -4.640 13 . 19738 ALY HH31 HH31 HH31 1HH3 . H . . N 0 . . . 0 no no . . . . 11.974 . 22.627 . -5.820 . -0.336 0.194 6.679 14 . 19738 ALY HH32 HH32 HH32 2HH3 . H . . N 0 . . . 0 no no . . . . 10.187 . 22.638 . -6.054 . -0.994 1.541 5.719 15 . 19738 ALY HH33 HH33 HH33 3HH3 . H . . N 0 . . . 0 no no . . . . 10.894 . 21.380 . -5.094 . -1.835 -0.027 5.746 16 . 19738 ALY HZ HZ HZ HNZ . H . . N 0 . . . 1 no no . . . . 12.980 . 21.615 . -7.868 . -1.357 0.683 3.191 17 . 19738 ALY HE3 HE3 HE3 1HCE . H . . N 0 . . . 1 no no . . . . 12.940 . 19.505 . -9.364 . 1.250 0.278 2.183 18 . 19738 ALY HE2 HE2 HE2 2HCE . H . . N 0 . . . 1 no no . . . . 11.345 . 19.211 . -8.876 . 0.409 -1.289 2.209 19 . 19738 ALY HD3 HD3 HD3 1HCD . H . . N 0 . . . 1 no no . . . . 10.459 . 21.178 . -10.271 . -1.435 -0.322 0.864 20 . 19738 ALY HD2 HD2 HD2 2HCD . H . . N 0 . . . 1 no no . . . . 12.028 . 21.724 . -10.608 . -0.594 1.245 0.837 21 . 19738 ALY HG3 HG3 HG3 1HCG . H . . N 0 . . . 1 no no . . . . 11.223 . 18.809 . -11.390 . 1.333 0.192 -0.312 22 . 19738 ALY HG2 HG2 HG2 2HCG . H . . N 0 . . . 1 no no . . . . 10.752 . 20.089 . -12.383 . 0.492 -1.375 -0.285 23 . 19738 ALY HB3 HB3 HB3 1HCB . H . . N 0 . . . 1 no no . . . . 13.145 . 20.891 . -12.680 . -1.352 -0.409 -1.631 24 . 19738 ALY HB2 HB2 HB2 2HCB . H . . N 0 . . . 1 no no . . . . 13.713 . 19.854 . -11.451 . -0.511 1.159 -1.657 25 . 19738 ALY HCA HCA HCA HCA . H . . N 0 . . . 1 no no . . . . 13.175 . 17.784 . -12.815 . 0.575 -1.462 -2.781 26 . 19738 ALY H H H 1HN . H . . N 0 . . . 1 no no . . . . 14.642 . 18.343 . -14.582 . 1.583 1.269 -2.842 27 . 19738 ALY H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 15.225 . 19.156 . -13.206 . 2.159 0.088 -1.896 28 . 19738 ALY HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 10.544 . 17.940 . -15.080 . -1.620 -0.637 -5.454 29 . 19738 ALY stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB OH CH no N 1 . 19738 ALY 2 . SING CH CH3 no N 2 . 19738 ALY 3 . SING CH NZ no N 3 . 19738 ALY 4 . SING CH3 HH31 no N 4 . 19738 ALY 5 . SING CH3 HH32 no N 5 . 19738 ALY 6 . SING CH3 HH33 no N 6 . 19738 ALY 7 . SING NZ CE no N 7 . 19738 ALY 8 . SING NZ HZ no N 8 . 19738 ALY 9 . SING CE CD no N 9 . 19738 ALY 10 . SING CE HE3 no N 10 . 19738 ALY 11 . SING CE HE2 no N 11 . 19738 ALY 12 . SING CD CG no N 12 . 19738 ALY 13 . SING CD HD3 no N 13 . 19738 ALY 14 . SING CD HD2 no N 14 . 19738 ALY 15 . SING CG CB no N 15 . 19738 ALY 16 . SING CG HG3 no N 16 . 19738 ALY 17 . SING CG HG2 no N 17 . 19738 ALY 18 . SING CB CA no N 18 . 19738 ALY 19 . SING CB HB3 no N 19 . 19738 ALY 20 . SING CB HB2 no N 20 . 19738 ALY 21 . SING CA N no N 21 . 19738 ALY 22 . SING CA C no N 22 . 19738 ALY 23 . SING CA HCA no N 23 . 19738 ALY 24 . SING N H no N 24 . 19738 ALY 25 . SING N H2 no N 25 . 19738 ALY 26 . DOUB C O no N 26 . 19738 ALY 27 . SING C OXT no N 27 . 19738 ALY 28 . SING OXT HXT no N 28 . 19738 ALY stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19738 _Sample.ID 1 _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 'natural abundance' . . 1 $entity_1 . . . . . mM . . . . 19738 1 2 DTT '[U-100% 2H]' . . . . . . 5 . . mM . . . . 19738 1 3 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 19738 1 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19738 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19738 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity_1 . . . . . mM . . . . 19738 2 2 DTT '[U-100% 2H]' . . . . . . 5 . . mM . . . . 19738 2 3 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 19738 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19738 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19738 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19738 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 19738 1 pH 6.5 . pH 19738 1 pressure 1 . atm 19738 1 temperature 298 . K 19738 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19738 _Software.ID 1 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19738 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19738 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19738 _Software.ID 2 _Software.Name NMRPipe _Software.Version 7.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19738 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 19738 2 processing 19738 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19738 _Software.ID 3 _Software.Name NMRView _Software.Version 5.04 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19738 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19738 3 'data analysis' 19738 3 'peak picking' 19738 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19738 _Software.ID 4 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19738 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19738 4 'structure solution' 19738 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19738 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19738 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19738 5 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 19738 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19738 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19738 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19738 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19738 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 19738 1 2 spectrometer_2 Bruker Avance . 800 . . . 19738 1 3 spectrometer_3 Bruker Avance . 700 . . . 19738 1 4 spectrometer_4 Bruker Avance . 600 . . . 19738 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 19738 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19738 1 2 '3D HN(CO)CACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19738 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19738 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19738 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19738 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19738 1 7 '3D 13C-edited 13C/15N-filtered NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19738 1 8 '3D 13C-edited 13C/15N-filtered NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19738 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 19738 _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 water protons . . . . ppm 40 internal direct 1 . . . . . . . . . 19738 1 H 1 water protons . . . . ppm 4.75 internal direct 1 . . . . . . . . . 19738 1 N 15 water protons . . . . ppm 118 internal direct 1 . . . . . . . . . 19738 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 19738 _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 2 '3D HN(CO)CACB' 2 $sample_2 . 19738 1 3 '3D 1H-15N NOESY' 2 $sample_2 . 19738 1 4 '3D 1H-15N TOCSY' 2 $sample_2 . 19738 1 5 '3D 1H-13C NOESY aliphatic' 1 $sample_1 . 19738 1 6 '3D 1H-13C NOESY aromatic' 1 $sample_1 . 19738 1 7 '3D 13C-edited 13C/15N-filtered NOESY aromatic' 1 $sample_1 . 19738 1 8 '3D 13C-edited 13C/15N-filtered NOESY aliphatic' 1 $sample_1 . 19738 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.4200 . . 1 . . . . 1 SER HA . 19738 1 2 . 1 1 1 1 SER HB2 H 1 3.8930 . . 2 . . . . 1 SER HB2 . 19738 1 3 . 1 1 1 1 SER HB3 H 1 3.9390 . . 1 . . . . 1 SER HB3 . 19738 1 4 . 1 1 1 1 SER CB C 13 62.9800 . . 1 . . . . 1 SER CB . 19738 1 5 . 1 1 2 2 PRO HA H 1 4.4870 . . 1 . . . . 2 PRO HA . 19738 1 6 . 1 1 2 2 PRO HB2 H 1 1.9400 . . 2 . . . . 2 PRO HB2 . 19738 1 7 . 1 1 2 2 PRO HB3 H 1 2.3500 . . 2 . . . . 2 PRO HB3 . 19738 1 8 . 1 1 2 2 PRO HG3 H 1 2.0400 . . 2 . . . . 2 PRO HG3 . 19738 1 9 . 1 1 2 2 PRO HD2 H 1 3.6660 . . 2 . . . . 2 PRO HD2 . 19738 1 10 . 1 1 2 2 PRO HD3 H 1 3.7840 . . 2 . . . . 2 PRO HD3 . 19738 1 11 . 1 1 2 2 PRO CA C 13 63.4500 . . 1 . . . . 2 PRO CA . 19738 1 12 . 1 1 2 2 PRO CB C 13 32.0800 . . 1 . . . . 2 PRO CB . 19738 1 13 . 1 1 2 2 PRO CG C 13 27.4700 . . 1 . . . . 2 PRO CG . 19738 1 14 . 1 1 2 2 PRO CD C 13 50.7100 . . 1 . . . . 2 PRO CD . 19738 1 15 . 1 1 3 3 ALA H H 1 8.5440 . . 1 . . . . 3 ALA H . 19738 1 16 . 1 1 3 3 ALA HA H 1 4.2760 . . 1 . . . . 3 ALA HA . 19738 1 17 . 1 1 3 3 ALA HB1 H 1 1.4010 . . 1 . . . . 3 ALA HB1 . 19738 1 18 . 1 1 3 3 ALA HB2 H 1 1.4010 . . 1 . . . . 3 ALA HB1 . 19738 1 19 . 1 1 3 3 ALA HB3 H 1 1.4010 . . 1 . . . . 3 ALA HB1 . 19738 1 20 . 1 1 3 3 ALA CA C 13 52.6600 . . 1 . . . . 3 ALA CA . 19738 1 21 . 1 1 3 3 ALA CB C 13 18.9800 . . 1 . . . . 3 ALA CB . 19738 1 22 . 1 1 4 4 GLN H H 1 8.4520 . . 1 . . . . 4 GLN H . 19738 1 23 . 1 1 4 4 GLN HA H 1 4.3150 . . 1 . . . . 4 GLN HA . 19738 1 24 . 1 1 4 4 GLN HB2 H 1 2.1200 . . 2 . . . . 4 GLN HB2 . 19738 1 25 . 1 1 4 4 GLN HB3 H 1 2.0300 . . 2 . . . . 4 GLN HB3 . 19738 1 26 . 1 1 4 4 GLN HG3 H 1 2.4000 . . 2 . . . . 4 GLN HG3 . 19738 1 27 . 1 1 4 4 GLN CB C 13 29.6000 . . 1 . . . . 4 GLN CB . 19738 1 28 . 1 1 4 4 GLN CG C 13 33.8600 . . 1 . . . . 4 GLN CG . 19738 1 29 . 1 1 5 5 GLY H H 1 8.4710 . . 1 . . . . 5 GLY H . 19738 1 30 . 1 1 5 5 GLY HA3 H 1 3.9700 . . 2 . . . . 5 GLY HA3 . 19738 1 31 . 1 1 6 6 ALY H H 1 8.2070 . . 1 . . . . 6 LYS H . 19738 1 32 . 1 1 6 6 ALY HA H 1 4.3180 . . 1 . . . . 6 LYS HA . 19738 1 33 . 1 1 6 6 ALY HB2 H 1 1.7440 . . 2 . . . . 6 LYS HB2 . 19738 1 34 . 1 1 6 6 ALY HB3 H 1 1.8350 . . 2 . . . . 6 LYS HB3 . 19738 1 35 . 1 1 6 6 ALY HG2 H 1 1.4200 . . 2 . . . . 6 LYS HG2 . 19738 1 36 . 1 1 6 6 ALY HG3 H 1 1.3660 . . 2 . . . . 6 LYS HG3 . 19738 1 37 . 1 1 6 6 ALY HD3 H 1 1.5250 . . 2 . . . . 6 LYS HD3 . 19738 1 38 . 1 1 6 6 ALY HE3 H 1 3.2100 . . 2 . . . . 6 LYS HE3 . 19738 1 39 . 1 1 6 6 ALY CG C 13 25.0200 . . 1 . . . . 6 LYS CG . 19738 1 40 . 1 1 6 6 ALY CD C 13 30.3100 . . 1 . . . . 6 LYS CD . 19738 1 41 . 1 1 7 7 ARG H H 1 8.5090 . . 1 . . . . 7 ARG H . 19738 1 42 . 1 1 7 7 ARG HA H 1 4.3200 . . 1 . . . . 7 ARG HA . 19738 1 43 . 1 1 7 7 ARG HB2 H 1 1.8030 . . 2 . . . . 7 ARG HB2 . 19738 1 44 . 1 1 7 7 ARG HB3 H 1 1.8840 . . 2 . . . . 7 ARG HB3 . 19738 1 45 . 1 1 7 7 ARG HG3 H 1 1.6950 . . 2 . . . . 7 ARG HG3 . 19738 1 46 . 1 1 7 7 ARG HD3 H 1 3.2270 . . 2 . . . . 7 ARG HD3 . 19738 1 47 . 1 1 7 7 ARG CG C 13 29.0800 . . 1 . . . . 7 ARG CG . 19738 1 48 . 1 1 8 8 GLY HA3 H 1 3.9700 . . 2 . . . . 8 GLY HA3 . 19738 1 49 . 1 1 8 8 GLY CA C 13 45.1300 . . 1 . . . . 8 GLY CA . 19738 1 50 . 1 1 9 9 ALY H H 1 8.2700 . . 1 . . . . 9 LYS H . 19738 1 51 . 1 1 9 9 ALY HA H 1 4.2830 . . 1 . . . . 9 LYS HA . 19738 1 52 . 1 1 9 9 ALY HB2 H 1 1.7370 . . 2 . . . . 9 LYS HB2 . 19738 1 53 . 1 1 9 9 ALY HB3 H 1 1.8370 . . 2 . . . . 9 LYS HB3 . 19738 1 54 . 1 1 9 9 ALY HG2 H 1 1.3660 . . 2 . . . . 9 LYS HG2 . 19738 1 55 . 1 1 9 9 ALY HG3 H 1 1.3800 . . 2 . . . . 9 LYS HG3 . 19738 1 56 . 1 1 9 9 ALY HD3 H 1 1.5100 . . 2 . . . . 9 LYS HD3 . 19738 1 57 . 1 1 9 9 ALY HE3 H 1 3.0890 . . 2 . . . . 9 LYS HE3 . 19738 1 58 . 1 1 9 9 ALY HZ1 H 1 8.0240 . . 1 . . . . 9 LYS HZ1 . 19738 1 59 . 1 1 9 9 ALY HZ2 H 1 8.0240 . . 1 . . . . 9 LYS HZ1 . 19738 1 60 . 1 1 9 9 ALY HZ3 H 1 8.0240 . . 1 . . . . 9 LYS HZ1 . 19738 1 61 . 1 1 10 10 LYS H H 1 8.4930 . . 1 . . . . 10 LYS H . 19738 1 62 . 1 1 10 10 LYS HA H 1 4.3790 . . 1 . . . . 10 LYS HA . 19738 1 63 . 1 1 10 10 LYS HB2 H 1 1.8000 . . 2 . . . . 10 LYS HB2 . 19738 1 64 . 1 1 10 10 LYS HB3 H 1 1.8720 . . 2 . . . . 10 LYS HB3 . 19738 1 65 . 1 1 10 10 LYS HG3 H 1 1.4660 . . 2 . . . . 10 LYS HG3 . 19738 1 66 . 1 1 10 10 LYS HD3 H 1 1.7060 . . 2 . . . . 10 LYS HD3 . 19738 1 67 . 1 1 10 10 LYS HE3 H 1 3.0100 . . 2 . . . . 10 LYS HE3 . 19738 1 68 . 1 1 10 10 LYS CA C 13 56.2400 . . 1 . . . . 10 LYS CA . 19738 1 69 . 1 1 10 10 LYS CG C 13 24.6700 . . 1 . . . . 10 LYS CG . 19738 1 70 . 1 1 10 10 LYS CD C 13 42.0400 . . 1 . . . . 10 LYS CD . 19738 1 71 . 1 1 11 11 SER H H 1 8.4480 . . 1 . . . . 11 SER H . 19738 1 72 . 1 1 11 11 SER HA H 1 4.4300 . . 1 . . . . 11 SER HA . 19738 1 73 . 1 1 11 11 SER HB3 H 1 3.8780 . . 2 . . . . 11 SER HB3 . 19738 1 74 . 1 1 11 11 SER CA C 13 58.3500 . . 1 . . . . 11 SER CA . 19738 1 75 . 1 1 11 11 SER CB C 13 63.9300 . . 1 . . . . 11 SER CB . 19738 1 76 . 1 1 12 12 ALA H H 1 8.1200 . . 1 . . . . 12 ALA H . 19738 1 77 . 1 1 12 12 ALA HA H 1 4.1390 . . 1 . . . . 12 ALA HA . 19738 1 78 . 1 1 12 12 ALA HB1 H 1 1.3480 . . 1 . . . . 12 ALA HB1 . 19738 1 79 . 1 1 12 12 ALA HB2 H 1 1.3480 . . 1 . . . . 12 ALA HB1 . 19738 1 80 . 1 1 12 12 ALA HB3 H 1 1.3480 . . 1 . . . . 12 ALA HB1 . 19738 1 81 . 1 1 12 12 ALA CA C 13 53.9500 . . 1 . . . . 12 ALA CA . 19738 1 82 . 1 1 12 12 ALA CB C 13 20.0800 . . 1 . . . . 12 ALA CB . 19738 1 83 . 2 2 1 1 LYS HA H 1 4.2840 . . 1 . . . B 333 LYS HA . 19738 1 84 . 2 2 1 1 LYS HB2 H 1 1.7360 . . 2 . . . B 333 LYS HB2 . 19738 1 85 . 2 2 1 1 LYS HB3 H 1 1.8050 . . 2 . . . B 333 LYS HB3 . 19738 1 86 . 2 2 1 1 LYS HG3 H 1 1.4310 . . 2 . . . B 333 LYS HG3 . 19738 1 87 . 2 2 1 1 LYS CA C 13 56.7100 . . 1 . . . B 333 LYS CA . 19738 1 88 . 2 2 1 1 LYS CB C 13 33.2700 . . 1 . . . B 333 LYS CB . 19738 1 89 . 2 2 2 2 ASP H H 1 8.2800 . . 1 . . . B 334 ASP H . 19738 1 90 . 2 2 2 2 ASP HA H 1 4.5580 . . 1 . . . B 334 ASP HA . 19738 1 91 . 2 2 2 2 ASP HB2 H 1 2.5900 . . 2 . . . B 334 ASP HB2 . 19738 1 92 . 2 2 2 2 ASP HB3 H 1 2.6630 . . 2 . . . B 334 ASP HB3 . 19738 1 93 . 2 2 2 2 ASP CA C 13 54.2320 . . 1 . . . B 334 ASP CA . 19738 1 94 . 2 2 2 2 ASP CB C 13 41.3200 . . 1 . . . B 334 ASP CB . 19738 1 95 . 2 2 2 2 ASP N N 15 121.0560 . . 1 . . . B 334 ASP N . 19738 1 96 . 2 2 3 3 VAL H H 1 7.9830 . . 1 . . . B 335 VAL H . 19738 1 97 . 2 2 3 3 VAL HA H 1 4.4210 . . 1 . . . B 335 VAL HA . 19738 1 98 . 2 2 3 3 VAL HB H 1 2.0740 . . 1 . . . B 335 VAL HB . 19738 1 99 . 2 2 3 3 VAL HG11 H 1 0.9960 . . 2 . . . B 335 VAL HG11 . 19738 1 100 . 2 2 3 3 VAL HG12 H 1 0.9960 . . 2 . . . B 335 VAL HG12 . 19738 1 101 . 2 2 3 3 VAL HG13 H 1 0.9960 . . 2 . . . B 335 VAL HG13 . 19738 1 102 . 2 2 3 3 VAL HG21 H 1 0.9380 . . 2 . . . B 335 VAL HG21 . 19738 1 103 . 2 2 3 3 VAL HG22 H 1 0.9380 . . 2 . . . B 335 VAL HG22 . 19738 1 104 . 2 2 3 3 VAL HG23 H 1 0.9380 . . 2 . . . B 335 VAL HG23 . 19738 1 105 . 2 2 3 3 VAL CA C 13 59.7060 . . 1 . . . B 335 VAL CA . 19738 1 106 . 2 2 3 3 VAL CB C 13 32.6160 . . 1 . . . B 335 VAL CB . 19738 1 107 . 2 2 3 3 VAL CG1 C 13 21.1480 . . 1 . . . B 335 VAL CG1 . 19738 1 108 . 2 2 3 3 VAL CG2 C 13 20.2480 . . 1 . . . B 335 VAL CG2 . 19738 1 109 . 2 2 3 3 VAL N N 15 121.0850 . . 1 . . . B 335 VAL N . 19738 1 110 . 2 2 4 4 PRO HA H 1 4.4050 . . 1 . . . B 336 PRO HA . 19738 1 111 . 2 2 4 4 PRO HB2 H 1 1.8960 . . 2 . . . B 336 PRO HB2 . 19738 1 112 . 2 2 4 4 PRO HB3 H 1 2.3060 . . 2 . . . B 336 PRO HB3 . 19738 1 113 . 2 2 4 4 PRO HG3 H 1 2.0300 . . 2 . . . B 336 PRO HG3 . 19738 1 114 . 2 2 4 4 PRO HD2 H 1 3.6630 . . 2 . . . B 336 PRO HD2 . 19738 1 115 . 2 2 4 4 PRO HD3 H 1 3.8620 . . 2 . . . B 336 PRO HD3 . 19738 1 116 . 2 2 4 4 PRO CA C 13 63.1840 . . 1 . . . B 336 PRO CA . 19738 1 117 . 2 2 4 4 PRO CB C 13 32.4150 . . 1 . . . B 336 PRO CB . 19738 1 118 . 2 2 4 4 PRO CD C 13 50.7570 . . 1 . . . B 336 PRO CD . 19738 1 119 . 2 2 5 5 ASP H H 1 8.4540 . . 1 . . . B 337 ASP H . 19738 1 120 . 2 2 5 5 ASP HA H 1 4.5410 . . 1 . . . B 337 ASP HA . 19738 1 121 . 2 2 5 5 ASP HB2 H 1 2.6860 . . 2 . . . B 337 ASP HB2 . 19738 1 122 . 2 2 5 5 ASP HB3 H 1 2.6820 . . 2 . . . B 337 ASP HB3 . 19738 1 123 . 2 2 5 5 ASP CA C 13 54.9790 . . 1 . . . B 337 ASP CA . 19738 1 124 . 2 2 5 5 ASP CB C 13 40.5720 . . 1 . . . B 337 ASP CB . 19738 1 125 . 2 2 5 5 ASP N N 15 120.9080 . . 1 . . . B 337 ASP N . 19738 1 126 . 2 2 6 6 SER H H 1 8.2510 . . 1 . . . B 338 SER H . 19738 1 127 . 2 2 6 6 SER HA H 1 4.3650 . . 1 . . . B 338 SER HA . 19738 1 128 . 2 2 6 6 SER HB2 H 1 3.8620 . . 2 . . . B 338 SER HB2 . 19738 1 129 . 2 2 6 6 SER HB3 H 1 3.9380 . . 2 . . . B 338 SER HB3 . 19738 1 130 . 2 2 6 6 SER CA C 13 58.7500 . . 1 . . . B 338 SER CA . 19738 1 131 . 2 2 6 6 SER CB C 13 63.4740 . . 1 . . . B 338 SER CB . 19738 1 132 . 2 2 6 6 SER N N 15 115.8100 . . 1 . . . B 338 SER N . 19738 1 133 . 2 2 7 7 GLN HA H 1 4.3140 . . 1 . . . B 339 GLN HA . 19738 1 134 . 2 2 7 7 GLN HB2 H 1 1.9720 . . 2 . . . B 339 GLN HB2 . 19738 1 135 . 2 2 7 7 GLN HB3 H 1 2.1200 . . 2 . . . B 339 GLN HB3 . 19738 1 136 . 2 2 7 7 GLN HG3 H 1 2.3360 . . 2 . . . B 339 GLN HG3 . 19738 1 137 . 2 2 7 7 GLN CA C 13 55.7860 . . 1 . . . B 339 GLN CA . 19738 1 138 . 2 2 7 7 GLN CB C 13 29.3650 . . 1 . . . B 339 GLN CB . 19738 1 139 . 2 2 7 7 GLN CG C 13 33.8660 . . 1 . . . B 339 GLN CG . 19738 1 140 . 2 2 8 8 GLN H H 1 8.1710 . . 1 . . . B 340 GLN H . 19738 1 141 . 2 2 8 8 GLN HA H 1 4.2540 . . 1 . . . B 340 GLN HA . 19738 1 142 . 2 2 8 8 GLN HB2 H 1 1.9510 . . 2 . . . B 340 GLN HB2 . 19738 1 143 . 2 2 8 8 GLN HB3 H 1 2.0880 . . 2 . . . B 340 GLN HB3 . 19738 1 144 . 2 2 8 8 GLN HG3 H 1 2.3050 . . 2 . . . B 340 GLN HG3 . 19738 1 145 . 2 2 8 8 GLN CA C 13 55.7240 . . 1 . . . B 340 GLN CA . 19738 1 146 . 2 2 8 8 GLN CB C 13 29.3650 . . 1 . . . B 340 GLN CB . 19738 1 147 . 2 2 8 8 GLN CG C 13 33.6170 . . 1 . . . B 340 GLN CG . 19738 1 148 . 2 2 8 8 GLN N N 15 120.5160 . . 1 . . . B 340 GLN N . 19738 1 149 . 2 2 9 9 HIS H H 1 8.4160 . . 1 . . . B 341 HIS H . 19738 1 150 . 2 2 9 9 HIS HA H 1 4.8960 . . 1 . . . B 341 HIS HA . 19738 1 151 . 2 2 9 9 HIS HB2 H 1 3.0200 . . 2 . . . B 341 HIS HB2 . 19738 1 152 . 2 2 9 9 HIS HB3 H 1 3.1100 . . 2 . . . B 341 HIS HB3 . 19738 1 153 . 2 2 9 9 HIS HD2 H 1 7.1250 . . 1 . . . B 341 HIS HD2 . 19738 1 154 . 2 2 9 9 HIS CA C 13 53.9480 . . 1 . . . B 341 HIS CA . 19738 1 155 . 2 2 9 9 HIS CB C 13 30.2400 . . 1 . . . B 341 HIS CB . 19738 1 156 . 2 2 9 9 HIS CD2 C 13 120.0020 . . 1 . . . B 341 HIS CD2 . 19738 1 157 . 2 2 9 9 HIS N N 15 121.3510 . . 1 . . . B 341 HIS N . 19738 1 158 . 2 2 10 10 PRO HA H 1 4.4310 . . 1 . . . B 342 PRO HA . 19738 1 159 . 2 2 10 10 PRO HB2 H 1 1.9070 . . 2 . . . B 342 PRO HB2 . 19738 1 160 . 2 2 10 10 PRO HB3 H 1 2.2810 . . 2 . . . B 342 PRO HB3 . 19738 1 161 . 2 2 10 10 PRO HG3 H 1 2.0050 . . 2 . . . B 342 PRO HG3 . 19738 1 162 . 2 2 10 10 PRO HD2 H 1 3.5560 . . 2 . . . B 342 PRO HD2 . 19738 1 163 . 2 2 10 10 PRO HD3 H 1 3.7400 . . 2 . . . B 342 PRO HD3 . 19738 1 164 . 2 2 10 10 PRO CA C 13 62.9470 . . 1 . . . B 342 PRO CA . 19738 1 165 . 2 2 10 10 PRO CB C 13 32.1260 . . 1 . . . B 342 PRO CB . 19738 1 166 . 2 2 10 10 PRO CG C 13 27.1610 . . 1 . . . B 342 PRO CG . 19738 1 167 . 2 2 10 10 PRO CD C 13 50.5510 . . 1 . . . B 342 PRO CD . 19738 1 168 . 2 2 11 11 ALA H H 1 8.5440 . . 1 . . . B 343 ALA H . 19738 1 169 . 2 2 11 11 ALA HA H 1 4.6080 . . 1 . . . B 343 ALA HA . 19738 1 170 . 2 2 11 11 ALA HB1 H 1 1.3900 . . 1 . . . B 343 ALA HB1 . 19738 1 171 . 2 2 11 11 ALA HB2 H 1 1.3900 . . 1 . . . B 343 ALA HB2 . 19738 1 172 . 2 2 11 11 ALA HB3 H 1 1.3900 . . 1 . . . B 343 ALA HB3 . 19738 1 173 . 2 2 11 11 ALA CA C 13 50.4960 . . 1 . . . B 343 ALA CA . 19738 1 174 . 2 2 11 11 ALA CB C 13 17.9680 . . 1 . . . B 343 ALA CB . 19738 1 175 . 2 2 11 11 ALA N N 15 126.1290 . . 1 . . . B 343 ALA N . 19738 1 176 . 2 2 12 12 PRO HA H 1 4.4290 . . 1 . . . B 344 PRO HA . 19738 1 177 . 2 2 12 12 PRO HB2 H 1 1.9620 . . 2 . . . B 344 PRO HB2 . 19738 1 178 . 2 2 12 12 PRO HB3 H 1 2.3300 . . 2 . . . B 344 PRO HB3 . 19738 1 179 . 2 2 12 12 PRO HG3 H 1 2.0320 . . 2 . . . B 344 PRO HG3 . 19738 1 180 . 2 2 12 12 PRO HD2 H 1 3.6830 . . 2 . . . B 344 PRO HD2 . 19738 1 181 . 2 2 12 12 PRO HD3 H 1 3.8390 . . 2 . . . B 344 PRO HD3 . 19738 1 182 . 2 2 12 12 PRO CA C 13 63.0220 . . 1 . . . B 344 PRO CA . 19738 1 183 . 2 2 12 12 PRO CB C 13 32.1420 . . 1 . . . B 344 PRO CB . 19738 1 184 . 2 2 12 12 PRO CG C 13 27.3860 . . 1 . . . B 344 PRO CG . 19738 1 185 . 2 2 12 12 PRO CD C 13 50.5830 . . 1 . . . B 344 PRO CD . 19738 1 186 . 2 2 13 13 GLU H H 1 8.6260 . . 1 . . . B 345 GLU H . 19738 1 187 . 2 2 13 13 GLU HA H 1 4.2460 . . 1 . . . B 345 GLU HA . 19738 1 188 . 2 2 13 13 GLU HB2 H 1 1.9630 . . 2 . . . B 345 GLU HB2 . 19738 1 189 . 2 2 13 13 GLU HB3 H 1 2.0420 . . 2 . . . B 345 GLU HB3 . 19738 1 190 . 2 2 13 13 GLU HG2 H 1 2.2960 . . 2 . . . B 345 GLU HG2 . 19738 1 191 . 2 2 13 13 GLU HG3 H 1 2.3120 . . 2 . . . B 345 GLU HG3 . 19738 1 192 . 2 2 13 13 GLU CA C 13 56.7160 . . 1 . . . B 345 GLU CA . 19738 1 193 . 2 2 13 13 GLU CB C 13 29.9670 . . 1 . . . B 345 GLU CB . 19738 1 194 . 2 2 13 13 GLU CG C 13 36.0790 . . 1 . . . B 345 GLU CG . 19738 1 195 . 2 2 13 13 GLU N N 15 121.3290 . . 1 . . . B 345 GLU N . 19738 1 196 . 2 2 14 14 LYS H H 1 8.4120 . . 1 . . . B 346 LYS H . 19738 1 197 . 2 2 14 14 LYS HA H 1 4.3450 . . 1 . . . B 346 LYS HA . 19738 1 198 . 2 2 14 14 LYS HB2 H 1 1.8110 . . 2 . . . B 346 LYS HB2 . 19738 1 199 . 2 2 14 14 LYS HB3 H 1 1.8920 . . 2 . . . B 346 LYS HB3 . 19738 1 200 . 2 2 14 14 LYS HG3 H 1 1.4840 . . 2 . . . B 346 LYS HG3 . 19738 1 201 . 2 2 14 14 LYS HD3 H 1 1.7230 . . 2 . . . B 346 LYS HD3 . 19738 1 202 . 2 2 14 14 LYS HE3 H 1 3.0210 . . 2 . . . B 346 LYS HE3 . 19738 1 203 . 2 2 14 14 LYS CA C 13 56.4710 . . 1 . . . B 346 LYS CA . 19738 1 204 . 2 2 14 14 LYS CB C 13 32.8650 . . 1 . . . B 346 LYS CB . 19738 1 205 . 2 2 14 14 LYS CG C 13 24.9120 . . 1 . . . B 346 LYS CG . 19738 1 206 . 2 2 14 14 LYS CD C 13 28.8970 . . 1 . . . B 346 LYS CD . 19738 1 207 . 2 2 14 14 LYS CE C 13 41.5600 . . 1 . . . B 346 LYS CE . 19738 1 208 . 2 2 14 14 LYS N N 15 122.6810 . . 1 . . . B 346 LYS N . 19738 1 209 . 2 2 15 15 SER HA H 1 4.4910 . . 1 . . . B 347 SER HA . 19738 1 210 . 2 2 15 15 SER HB2 H 1 3.9250 . . 2 . . . B 347 SER HB2 . 19738 1 211 . 2 2 15 15 SER HB3 H 1 4.0070 . . 2 . . . B 347 SER HB3 . 19738 1 212 . 2 2 15 15 SER CA C 13 58.4620 . . 1 . . . B 347 SER CA . 19738 1 213 . 2 2 15 15 SER CB C 13 63.6620 . . 1 . . . B 347 SER CB . 19738 1 214 . 2 2 15 15 SER N N 15 117.1190 . . 1 . . . B 347 SER N . 19738 1 215 . 2 2 16 16 SER HA H 1 4.5110 . . 1 . . . B 348 SER HA . 19738 1 216 . 2 2 16 16 SER HB2 H 1 3.9100 . . 2 . . . B 348 SER HB2 . 19738 1 217 . 2 2 16 16 SER HB3 H 1 4.0300 . . 2 . . . B 348 SER HB3 . 19738 1 218 . 2 2 16 16 SER CA C 13 58.4500 . . 1 . . . B 348 SER CA . 19738 1 219 . 2 2 16 16 SER CB C 13 63.6000 . . 1 . . . B 348 SER CB . 19738 1 220 . 2 2 16 16 SER N N 15 123.4710 . . 1 . . . B 348 SER N . 19738 1 221 . 2 2 17 17 LYS H H 1 6.9700 . . 1 . . . B 349 LYS H . 19738 1 222 . 2 2 17 17 LYS HA H 1 4.3300 . . 1 . . . B 349 LYS HA . 19738 1 223 . 2 2 17 17 LYS HB3 H 1 1.8660 . . 2 . . . B 349 LYS HB3 . 19738 1 224 . 2 2 17 17 LYS HG2 H 1 1.4160 . . 2 . . . B 349 LYS HG2 . 19738 1 225 . 2 2 17 17 LYS HG3 H 1 1.4850 . . 2 . . . B 349 LYS HG3 . 19738 1 226 . 2 2 17 17 LYS HD3 H 1 1.6820 . . 2 . . . B 349 LYS HD3 . 19738 1 227 . 2 2 17 17 LYS HE3 H 1 2.9940 . . 2 . . . B 349 LYS HE3 . 19738 1 228 . 2 2 17 17 LYS CA C 13 57.6990 . . 1 . . . B 349 LYS CA . 19738 1 229 . 2 2 17 17 LYS CB C 13 32.6560 . . 1 . . . B 349 LYS CB . 19738 1 230 . 2 2 17 17 LYS CG C 13 24.6990 . . 1 . . . B 349 LYS CG . 19738 1 231 . 2 2 17 17 LYS CD C 13 28.9900 . . 1 . . . B 349 LYS CD . 19738 1 232 . 2 2 17 17 LYS CE C 13 41.6230 . . 1 . . . B 349 LYS CE . 19738 1 233 . 2 2 17 17 LYS N N 15 119.4600 . . 1 . . . B 349 LYS N . 19738 1 234 . 2 2 18 18 VAL H H 1 8.0800 . . 1 . . . B 350 VAL H . 19738 1 235 . 2 2 18 18 VAL HA H 1 4.0110 . . 1 . . . B 350 VAL HA . 19738 1 236 . 2 2 18 18 VAL HB H 1 2.0920 . . 1 . . . B 350 VAL HB . 19738 1 237 . 2 2 18 18 VAL HG11 H 1 1.0700 . . 2 . . . B 350 VAL HG11 . 19738 1 238 . 2 2 18 18 VAL HG12 H 1 1.0700 . . 2 . . . B 350 VAL HG12 . 19738 1 239 . 2 2 18 18 VAL HG13 H 1 1.0700 . . 2 . . . B 350 VAL HG13 . 19738 1 240 . 2 2 18 18 VAL HG21 H 1 1.0760 . . 2 . . . B 350 VAL HG21 . 19738 1 241 . 2 2 18 18 VAL HG22 H 1 1.0760 . . 2 . . . B 350 VAL HG22 . 19738 1 242 . 2 2 18 18 VAL HG23 H 1 1.0760 . . 2 . . . B 350 VAL HG23 . 19738 1 243 . 2 2 18 18 VAL CA C 13 64.1840 . . 1 . . . B 350 VAL CA . 19738 1 244 . 2 2 18 18 VAL CB C 13 32.3800 . . 1 . . . B 350 VAL CB . 19738 1 245 . 2 2 18 18 VAL CG1 C 13 21.7440 . . 1 . . . B 350 VAL CG1 . 19738 1 246 . 2 2 18 18 VAL CG2 C 13 21.6140 . . 1 . . . B 350 VAL CG2 . 19738 1 247 . 2 2 18 18 VAL N N 15 120.2500 . . 1 . . . B 350 VAL N . 19738 1 248 . 2 2 19 19 SER H H 1 8.1720 . . 1 . . . B 351 SER H . 19738 1 249 . 2 2 19 19 SER HA H 1 4.2600 . . 1 . . . B 351 SER HA . 19738 1 250 . 2 2 19 19 SER HB2 H 1 4.0170 . . 2 . . . B 351 SER HB2 . 19738 1 251 . 2 2 19 19 SER HB3 H 1 4.1930 . . 2 . . . B 351 SER HB3 . 19738 1 252 . 2 2 19 19 SER CA C 13 59.9570 . . 1 . . . B 351 SER CA . 19738 1 253 . 2 2 19 19 SER CB C 13 62.9500 . . 1 . . . B 351 SER CB . 19738 1 254 . 2 2 19 19 SER N N 15 117.8810 . . 1 . . . B 351 SER N . 19738 1 255 . 2 2 20 20 GLU H H 1 8.7320 . . 1 . . . B 352 GLU H . 19738 1 256 . 2 2 20 20 GLU HA H 1 4.1090 . . 1 . . . B 352 GLU HA . 19738 1 257 . 2 2 20 20 GLU HB3 H 1 2.0990 . . 2 . . . B 352 GLU HB3 . 19738 1 258 . 2 2 20 20 GLU HG3 H 1 2.3840 . . 2 . . . B 352 GLU HG3 . 19738 1 259 . 2 2 20 20 GLU CA C 13 59.4600 . . 1 . . . B 352 GLU CA . 19738 1 260 . 2 2 20 20 GLU CB C 13 29.1370 . . 1 . . . B 352 GLU CB . 19738 1 261 . 2 2 20 20 GLU CG C 13 36.0970 . . 1 . . . B 352 GLU CG . 19738 1 262 . 2 2 20 20 GLU N N 15 122.9700 . . 1 . . . B 352 GLU N . 19738 1 263 . 2 2 21 21 GLN H H 1 8.7010 . . 1 . . . B 353 GLN H . 19738 1 264 . 2 2 21 21 GLN HA H 1 4.0960 . . 1 . . . B 353 GLN HA . 19738 1 265 . 2 2 21 21 GLN HB2 H 1 2.0940 . . 2 . . . B 353 GLN HB2 . 19738 1 266 . 2 2 21 21 GLN HB3 H 1 2.3320 . . 2 . . . B 353 GLN HB3 . 19738 1 267 . 2 2 21 21 GLN HG2 H 1 2.3980 . . 2 . . . B 353 GLN HG2 . 19738 1 268 . 2 2 21 21 GLN HG3 H 1 2.7350 . . 2 . . . B 353 GLN HG3 . 19738 1 269 . 2 2 21 21 GLN HE21 H 1 7.7330 . . 2 . . . B 353 GLN HE21 . 19738 1 270 . 2 2 21 21 GLN HE22 H 1 6.9750 . . 2 . . . B 353 GLN HE22 . 19738 1 271 . 2 2 21 21 GLN CA C 13 59.9470 . . 1 . . . B 353 GLN CA . 19738 1 272 . 2 2 21 21 GLN CB C 13 28.3950 . . 1 . . . B 353 GLN CB . 19738 1 273 . 2 2 21 21 GLN CG C 13 34.8520 . . 1 . . . B 353 GLN CG . 19738 1 274 . 2 2 21 21 GLN N N 15 119.7800 . . 1 . . . B 353 GLN N . 19738 1 275 . 2 2 21 21 GLN NE2 N 15 111.5260 . . 1 . . . B 353 GLN NE2 . 19738 1 276 . 2 2 22 22 LEU H H 1 8.4160 . . 1 . . . B 354 LEU H . 19738 1 277 . 2 2 22 22 LEU HA H 1 4.0370 . . 1 . . . B 354 LEU HA . 19738 1 278 . 2 2 22 22 LEU HB2 H 1 1.3730 . . 2 . . . B 354 LEU HB2 . 19738 1 279 . 2 2 22 22 LEU HB3 H 1 1.9640 . . 2 . . . B 354 LEU HB3 . 19738 1 280 . 2 2 22 22 LEU HG H 1 1.6250 . . 1 . . . B 354 LEU HG . 19738 1 281 . 2 2 22 22 LEU HD11 H 1 0.8700 . . 2 . . . B 354 LEU HD11 . 19738 1 282 . 2 2 22 22 LEU HD12 H 1 0.8700 . . 2 . . . B 354 LEU HD12 . 19738 1 283 . 2 2 22 22 LEU HD13 H 1 0.8700 . . 2 . . . B 354 LEU HD13 . 19738 1 284 . 2 2 22 22 LEU HD21 H 1 0.6530 . . 2 . . . B 354 LEU HD21 . 19738 1 285 . 2 2 22 22 LEU HD22 H 1 0.6530 . . 2 . . . B 354 LEU HD22 . 19738 1 286 . 2 2 22 22 LEU HD23 H 1 0.6530 . . 2 . . . B 354 LEU HD23 . 19738 1 287 . 2 2 22 22 LEU CA C 13 58.4640 . . 1 . . . B 354 LEU CA . 19738 1 288 . 2 2 22 22 LEU CB C 13 40.8110 . . 1 . . . B 354 LEU CB . 19738 1 289 . 2 2 22 22 LEU CG C 13 28.1410 . . 1 . . . B 354 LEU CG . 19738 1 290 . 2 2 22 22 LEU CD1 C 13 25.6890 . . 1 . . . B 354 LEU CD1 . 19738 1 291 . 2 2 22 22 LEU CD2 C 13 21.9490 . . 1 . . . B 354 LEU CD2 . 19738 1 292 . 2 2 22 22 LEU N N 15 121.4190 . . 1 . . . B 354 LEU N . 19738 1 293 . 2 2 23 23 LYS H H 1 8.1320 . . 1 . . . B 355 LYS H . 19738 1 294 . 2 2 23 23 LYS HA H 1 4.0750 . . 1 . . . B 355 LYS HA . 19738 1 295 . 2 2 23 23 LYS HB3 H 1 2.0000 . . 2 . . . B 355 LYS HB3 . 19738 1 296 . 2 2 23 23 LYS HG2 H 1 1.6030 . . 2 . . . B 355 LYS HG2 . 19738 1 297 . 2 2 23 23 LYS HG3 H 1 1.4570 . . 2 . . . B 355 LYS HG3 . 19738 1 298 . 2 2 23 23 LYS HD3 H 1 1.7110 . . 2 . . . B 355 LYS HD3 . 19738 1 299 . 2 2 23 23 LYS HE3 H 1 2.9250 . . 2 . . . B 355 LYS HE3 . 19738 1 300 . 2 2 23 23 LYS CA C 13 59.9420 . . 1 . . . B 355 LYS CA . 19738 1 301 . 2 2 23 23 LYS CB C 13 32.1280 . . 1 . . . B 355 LYS CB . 19738 1 302 . 2 2 23 23 LYS CG C 13 25.3880 . . 1 . . . B 355 LYS CG . 19738 1 303 . 2 2 23 23 LYS CD C 13 29.2010 . . 1 . . . B 355 LYS CD . 19738 1 304 . 2 2 23 23 LYS CE C 13 41.7770 . . 1 . . . B 355 LYS CE . 19738 1 305 . 2 2 23 23 LYS N N 15 123.3310 . . 1 . . . B 355 LYS N . 19738 1 306 . 2 2 24 24 CYS H H 1 8.0360 . . 1 . . . B 356 CYS H . 19738 1 307 . 2 2 24 24 CYS HA H 1 4.2170 . . 1 . . . B 356 CYS HA . 19738 1 308 . 2 2 24 24 CYS HB2 H 1 3.1280 . . 2 . . . B 356 CYS HB2 . 19738 1 309 . 2 2 24 24 CYS HB3 H 1 3.2490 . . 2 . . . B 356 CYS HB3 . 19738 1 310 . 2 2 24 24 CYS CA C 13 62.4910 . . 1 . . . B 356 CYS CA . 19738 1 311 . 2 2 24 24 CYS CB C 13 26.1330 . . 1 . . . B 356 CYS CB . 19738 1 312 . 2 2 24 24 CYS N N 15 121.1480 . . 1 . . . B 356 CYS N . 19738 1 313 . 2 2 25 25 CYS H H 1 8.1320 . . 1 . . . B 357 CYS H . 19738 1 314 . 2 2 25 25 CYS HA H 1 3.6680 . . 1 . . . B 357 CYS HA . 19738 1 315 . 2 2 25 25 CYS HB2 H 1 0.3820 . . 2 . . . B 357 CYS HB2 . 19738 1 316 . 2 2 25 25 CYS HB3 H 1 2.8710 . . 2 . . . B 357 CYS HB3 . 19738 1 317 . 2 2 25 25 CYS CA C 13 64.6690 . . 1 . . . B 357 CYS CA . 19738 1 318 . 2 2 25 25 CYS CB C 13 25.1380 . . 1 . . . B 357 CYS CB . 19738 1 319 . 2 2 25 25 CYS N N 15 119.2060 . . 1 . . . B 357 CYS N . 19738 1 320 . 2 2 26 26 SER H H 1 7.8200 . . 1 . . . B 358 SER H . 19738 1 321 . 2 2 26 26 SER HA H 1 4.0700 . . 1 . . . B 358 SER HA . 19738 1 322 . 2 2 26 26 SER HB2 H 1 4.0270 . . 2 . . . B 358 SER HB2 . 19738 1 323 . 2 2 26 26 SER HB3 H 1 4.1870 . . 2 . . . B 358 SER HB3 . 19738 1 324 . 2 2 26 26 SER CA C 13 61.9350 . . 1 . . . B 358 SER CA . 19738 1 325 . 2 2 26 26 SER CB C 13 62.9000 . . 1 . . . B 358 SER CB . 19738 1 326 . 2 2 26 26 SER N N 15 114.4810 . . 1 . . . B 358 SER N . 19738 1 327 . 2 2 27 27 GLY H H 1 7.8200 . . 1 . . . B 359 GLY H . 19738 1 328 . 2 2 27 27 GLY HA2 H 1 3.9710 . . 2 . . . B 359 GLY HA2 . 19738 1 329 . 2 2 27 27 GLY HA3 H 1 4.1690 . . 2 . . . B 359 GLY HA3 . 19738 1 330 . 2 2 27 27 GLY CA C 13 47.0280 . . 1 . . . B 359 GLY CA . 19738 1 331 . 2 2 27 27 GLY N N 15 108.8700 . . 1 . . . B 359 GLY N . 19738 1 332 . 2 2 28 28 ILE H H 1 8.2720 . . 1 . . . B 360 ILE H . 19738 1 333 . 2 2 28 28 ILE HA H 1 3.8410 . . 1 . . . B 360 ILE HA . 19738 1 334 . 2 2 28 28 ILE HB H 1 2.2850 . . 1 . . . B 360 ILE HB . 19738 1 335 . 2 2 28 28 ILE HG12 H 1 0.9230 . . 1 . . . B 360 ILE HG12 . 19738 1 336 . 2 2 28 28 ILE HG13 H 1 2.2110 . . 1 . . . B 360 ILE HG13 . 19738 1 337 . 2 2 28 28 ILE HG21 H 1 1.2990 . . 1 . . . B 360 ILE HG21 . 19738 1 338 . 2 2 28 28 ILE HG22 H 1 1.2990 . . 1 . . . B 360 ILE HG22 . 19738 1 339 . 2 2 28 28 ILE HG23 H 1 1.2990 . . 1 . . . B 360 ILE HG23 . 19738 1 340 . 2 2 28 28 ILE HD11 H 1 1.0170 . . 1 . . . B 360 ILE HD11 . 19738 1 341 . 2 2 28 28 ILE HD12 H 1 1.0170 . . 1 . . . B 360 ILE HD12 . 19738 1 342 . 2 2 28 28 ILE HD13 H 1 1.0170 . . 1 . . . B 360 ILE HD13 . 19738 1 343 . 2 2 28 28 ILE CA C 13 65.9100 . . 1 . . . B 360 ILE CA . 19738 1 344 . 2 2 28 28 ILE CB C 13 38.3250 . . 1 . . . B 360 ILE CB . 19738 1 345 . 2 2 28 28 ILE CG1 C 13 29.1100 . . 1 . . . B 360 ILE CG1 . 19738 1 346 . 2 2 28 28 ILE CG2 C 13 17.6400 . . 1 . . . B 360 ILE CG2 . 19738 1 347 . 2 2 28 28 ILE CD1 C 13 14.4110 . . 1 . . . B 360 ILE CD1 . 19738 1 348 . 2 2 28 28 ILE N N 15 124.9560 . . 1 . . . B 360 ILE N . 19738 1 349 . 2 2 29 29 LEU H H 1 8.2910 . . 1 . . . B 361 LEU H . 19738 1 350 . 2 2 29 29 LEU HA H 1 4.4290 . . 1 . . . B 361 LEU HA . 19738 1 351 . 2 2 29 29 LEU HB2 H 1 1.6620 . . 2 . . . B 361 LEU HB2 . 19738 1 352 . 2 2 29 29 LEU HB3 H 1 2.2950 . . 2 . . . B 361 LEU HB3 . 19738 1 353 . 2 2 29 29 LEU HG H 1 2.1090 . . 1 . . . B 361 LEU HG . 19738 1 354 . 2 2 29 29 LEU HD11 H 1 1.2830 . . 2 . . . B 361 LEU HD11 . 19738 1 355 . 2 2 29 29 LEU HD12 H 1 1.2830 . . 2 . . . B 361 LEU HD12 . 19738 1 356 . 2 2 29 29 LEU HD13 H 1 1.2830 . . 2 . . . B 361 LEU HD13 . 19738 1 357 . 2 2 29 29 LEU HD21 H 1 1.1230 . . 2 . . . B 361 LEU HD21 . 19738 1 358 . 2 2 29 29 LEU HD22 H 1 1.1230 . . 2 . . . B 361 LEU HD22 . 19738 1 359 . 2 2 29 29 LEU HD23 H 1 1.1230 . . 2 . . . B 361 LEU HD23 . 19738 1 360 . 2 2 29 29 LEU CA C 13 57.7760 . . 1 . . . B 361 LEU CA . 19738 1 361 . 2 2 29 29 LEU CB C 13 42.1680 . . 1 . . . B 361 LEU CB . 19738 1 362 . 2 2 29 29 LEU CG C 13 27.3140 . . 1 . . . B 361 LEU CG . 19738 1 363 . 2 2 29 29 LEU CD1 C 13 26.1300 . . 1 . . . B 361 LEU CD1 . 19738 1 364 . 2 2 29 29 LEU CD2 C 13 23.8900 . . 1 . . . B 361 LEU CD2 . 19738 1 365 . 2 2 29 29 LEU N N 15 121.0630 . . 1 . . . B 361 LEU N . 19738 1 366 . 2 2 30 30 LYS H H 1 8.3320 . . 1 . . . B 362 LYS H . 19738 1 367 . 2 2 30 30 LYS HA H 1 4.1850 . . 1 . . . B 362 LYS HA . 19738 1 368 . 2 2 30 30 LYS HB3 H 1 2.0450 . . 2 . . . B 362 LYS HB3 . 19738 1 369 . 2 2 30 30 LYS HG2 H 1 1.4430 . . 2 . . . B 362 LYS HG2 . 19738 1 370 . 2 2 30 30 LYS HG3 H 1 1.6310 . . 2 . . . B 362 LYS HG3 . 19738 1 371 . 2 2 30 30 LYS HD3 H 1 1.7430 . . 2 . . . B 362 LYS HD3 . 19738 1 372 . 2 2 30 30 LYS HE3 H 1 2.9850 . . 2 . . . B 362 LYS HE3 . 19738 1 373 . 2 2 30 30 LYS CA C 13 59.9500 . . 1 . . . B 362 LYS CA . 19738 1 374 . 2 2 30 30 LYS CB C 13 32.6040 . . 1 . . . B 362 LYS CB . 19738 1 375 . 2 2 30 30 LYS CG C 13 25.6350 . . 1 . . . B 362 LYS CG . 19738 1 376 . 2 2 30 30 LYS CD C 13 29.3750 . . 1 . . . B 362 LYS CD . 19738 1 377 . 2 2 30 30 LYS CE C 13 41.7940 . . 1 . . . B 362 LYS CE . 19738 1 378 . 2 2 30 30 LYS N N 15 117.8270 . . 1 . . . B 362 LYS N . 19738 1 379 . 2 2 31 31 GLU H H 1 7.9020 . . 1 . . . B 363 GLU H . 19738 1 380 . 2 2 31 31 GLU HA H 1 4.3380 . . 1 . . . B 363 GLU HA . 19738 1 381 . 2 2 31 31 GLU HB3 H 1 2.2430 . . 2 . . . B 363 GLU HB3 . 19738 1 382 . 2 2 31 31 GLU HG3 H 1 2.3300 . . 2 . . . B 363 GLU HG3 . 19738 1 383 . 2 2 31 31 GLU CA C 13 58.9950 . . 1 . . . B 363 GLU CA . 19738 1 384 . 2 2 31 31 GLU CB C 13 28.1210 . . 1 . . . B 363 GLU CB . 19738 1 385 . 2 2 31 31 GLU CG C 13 35.8020 . . 1 . . . B 363 GLU CG . 19738 1 386 . 2 2 31 31 GLU N N 15 120.3320 . . 1 . . . B 363 GLU N . 19738 1 387 . 2 2 32 32 MET H H 1 8.2910 . . 1 . . . B 364 MET H . 19738 1 388 . 2 2 32 32 MET HA H 1 3.8170 . . 1 . . . B 364 MET HA . 19738 1 389 . 2 2 32 32 MET HB2 H 1 2.2700 . . 2 . . . B 364 MET HB2 . 19738 1 390 . 2 2 32 32 MET HB3 H 1 2.4160 . . 2 . . . B 364 MET HB3 . 19738 1 391 . 2 2 32 32 MET HG3 H 1 3.0820 . . 2 . . . B 364 MET HG3 . 19738 1 392 . 2 2 32 32 MET HE1 H 1 1.8700 . . 1 . . . B 364 MET HE1 . 19738 1 393 . 2 2 32 32 MET HE2 H 1 1.8700 . . 1 . . . B 364 MET HE2 . 19738 1 394 . 2 2 32 32 MET HE3 H 1 1.8700 . . 1 . . . B 364 MET HE3 . 19738 1 395 . 2 2 32 32 MET CA C 13 60.2010 . . 1 . . . B 364 MET CA . 19738 1 396 . 2 2 32 32 MET CB C 13 34.3570 . . 1 . . . B 364 MET CB . 19738 1 397 . 2 2 32 32 MET CG C 13 32.1000 . . 1 . . . B 364 MET CG . 19738 1 398 . 2 2 32 32 MET CE C 13 15.6840 . . 1 . . . B 364 MET CE . 19738 1 399 . 2 2 32 32 MET N N 15 118.1750 . . 1 . . . B 364 MET N . 19738 1 400 . 2 2 33 33 PHE H H 1 7.8190 . . 1 . . . B 365 PHE H . 19738 1 401 . 2 2 33 33 PHE HA H 1 4.4140 . . 1 . . . B 365 PHE HA . 19738 1 402 . 2 2 33 33 PHE HB2 H 1 2.9300 . . 2 . . . B 365 PHE HB2 . 19738 1 403 . 2 2 33 33 PHE HB3 H 1 3.3430 . . 2 . . . B 365 PHE HB3 . 19738 1 404 . 2 2 33 33 PHE HD2 H 1 7.0720 . . 3 . . . B 365 PHE HD2 . 19738 1 405 . 2 2 33 33 PHE HE2 H 1 7.0050 . . 3 . . . B 365 PHE HE2 . 19738 1 406 . 2 2 33 33 PHE HZ H 1 7.0020 . . 1 . . . B 365 PHE HZ . 19738 1 407 . 2 2 33 33 PHE CA C 13 60.2270 . . 1 . . . B 365 PHE CA . 19738 1 408 . 2 2 33 33 PHE CB C 13 41.0580 . . 1 . . . B 365 PHE CB . 19738 1 409 . 2 2 33 33 PHE CD2 C 13 132.9430 . . 1 . . . B 365 PHE CD2 . 19738 1 410 . 2 2 33 33 PHE CE2 C 13 130.7860 . . 1 . . . B 365 PHE CE2 . 19738 1 411 . 2 2 33 33 PHE CZ C 13 129.8950 . . 1 . . . B 365 PHE CZ . 19738 1 412 . 2 2 33 33 PHE N N 15 116.9950 . . 1 . . . B 365 PHE N . 19738 1 413 . 2 2 34 34 ALA H H 1 8.0570 . . 1 . . . B 366 ALA H . 19738 1 414 . 2 2 34 34 ALA HA H 1 4.4440 . . 1 . . . B 366 ALA HA . 19738 1 415 . 2 2 34 34 ALA HB1 H 1 1.7940 . . 1 . . . B 366 ALA HB1 . 19738 1 416 . 2 2 34 34 ALA HB2 H 1 1.7940 . . 1 . . . B 366 ALA HB2 . 19738 1 417 . 2 2 34 34 ALA HB3 H 1 1.7940 . . 1 . . . B 366 ALA HB3 . 19738 1 418 . 2 2 34 34 ALA CA C 13 53.0090 . . 1 . . . B 366 ALA CA . 19738 1 419 . 2 2 34 34 ALA CB C 13 20.4100 . . 1 . . . B 366 ALA CB . 19738 1 420 . 2 2 34 34 ALA N N 15 123.8640 . . 1 . . . B 366 ALA N . 19738 1 421 . 2 2 35 35 LYS HA H 1 4.1320 . . 1 . . . B 367 LYS HA . 19738 1 422 . 2 2 35 35 LYS HB2 H 1 1.8600 . . 2 . . . B 367 LYS HB2 . 19738 1 423 . 2 2 35 35 LYS HB3 H 1 1.9500 . . 2 . . . B 367 LYS HB3 . 19738 1 424 . 2 2 35 35 LYS HG3 H 1 1.5450 . . 2 . . . B 367 LYS HG3 . 19738 1 425 . 2 2 35 35 LYS HD3 H 1 1.7290 . . 2 . . . B 367 LYS HD3 . 19738 1 426 . 2 2 35 35 LYS HE3 H 1 3.0040 . . 2 . . . B 367 LYS HE3 . 19738 1 427 . 2 2 35 35 LYS CA C 13 59.8110 . . 1 . . . B 367 LYS CA . 19738 1 428 . 2 2 35 35 LYS CB C 13 31.6920 . . 1 . . . B 367 LYS CB . 19738 1 429 . 2 2 35 35 LYS CG C 13 24.8700 . . 1 . . . B 367 LYS CG . 19738 1 430 . 2 2 35 35 LYS CD C 13 28.8600 . . 1 . . . B 367 LYS CD . 19738 1 431 . 2 2 35 35 LYS CE C 13 41.5000 . . 1 . . . B 367 LYS CE . 19738 1 432 . 2 2 35 35 LYS N N 15 124.7260 . . 1 . . . B 367 LYS N . 19738 1 433 . 2 2 36 36 LYS H H 1 8.2630 . . 1 . . . B 368 LYS H . 19738 1 434 . 2 2 36 36 LYS HA H 1 4.0820 . . 1 . . . B 368 LYS HA . 19738 1 435 . 2 2 36 36 LYS HB2 H 1 1.3230 . . 2 . . . B 368 LYS HB2 . 19738 1 436 . 2 2 36 36 LYS HB3 H 1 1.7680 . . 2 . . . B 368 LYS HB3 . 19738 1 437 . 2 2 36 36 LYS HG2 H 1 0.4600 . . 2 . . . B 368 LYS HG2 . 19738 1 438 . 2 2 36 36 LYS HG3 H 1 0.8840 . . 2 . . . B 368 LYS HG3 . 19738 1 439 . 2 2 36 36 LYS HD3 H 1 1.5990 . . 2 . . . B 368 LYS HD3 . 19738 1 440 . 2 2 36 36 LYS HE3 H 1 2.8900 . . 2 . . . B 368 LYS HE3 . 19738 1 441 . 2 2 36 36 LYS CA C 13 58.4660 . . 1 . . . B 368 LYS CA . 19738 1 442 . 2 2 36 36 LYS CB C 13 31.8170 . . 1 . . . B 368 LYS CB . 19738 1 443 . 2 2 36 36 LYS CG C 13 23.1080 . . 1 . . . B 368 LYS CG . 19738 1 444 . 2 2 36 36 LYS CD C 13 29.1490 . . 1 . . . B 368 LYS CD . 19738 1 445 . 2 2 36 36 LYS CE C 13 41.4460 . . 1 . . . B 368 LYS CE . 19738 1 446 . 2 2 36 36 LYS N N 15 116.6970 . . 1 . . . B 368 LYS N . 19738 1 447 . 2 2 37 37 HIS H H 1 7.0540 . . 1 . . . B 369 HIS H . 19738 1 448 . 2 2 37 37 HIS HA H 1 4.6070 . . 1 . . . B 369 HIS HA . 19738 1 449 . 2 2 37 37 HIS HB2 H 1 2.8540 . . 2 . . . B 369 HIS HB2 . 19738 1 450 . 2 2 37 37 HIS HB3 H 1 3.2700 . . 2 . . . B 369 HIS HB3 . 19738 1 451 . 2 2 37 37 HIS HD2 H 1 7.8900 . . 1 . . . B 369 HIS HD2 . 19738 1 452 . 2 2 37 37 HIS HE1 H 1 7.9900 . . 1 . . . B 369 HIS HE1 . 19738 1 453 . 2 2 37 37 HIS CA C 13 54.2390 . . 1 . . . B 369 HIS CA . 19738 1 454 . 2 2 37 37 HIS CB C 13 31.6030 . . 1 . . . B 369 HIS CB . 19738 1 455 . 2 2 37 37 HIS CD2 C 13 120.2180 . . 1 . . . B 369 HIS CD2 . 19738 1 456 . 2 2 37 37 HIS CE1 C 13 138.7200 . . 1 . . . B 369 HIS CE1 . 19738 1 457 . 2 2 37 37 HIS N N 15 115.8160 . . 1 . . . B 369 HIS N . 19738 1 458 . 2 2 38 38 ALA H H 1 7.6410 . . 1 . . . B 370 ALA H . 19738 1 459 . 2 2 38 38 ALA HA H 1 4.2190 . . 1 . . . B 370 ALA HA . 19738 1 460 . 2 2 38 38 ALA HB1 H 1 1.6260 . . 1 . . . B 370 ALA HB1 . 19738 1 461 . 2 2 38 38 ALA HB2 H 1 1.6260 . . 1 . . . B 370 ALA HB2 . 19738 1 462 . 2 2 38 38 ALA HB3 H 1 1.6260 . . 1 . . . B 370 ALA HB3 . 19738 1 463 . 2 2 38 38 ALA CA C 13 55.5200 . . 1 . . . B 370 ALA CA . 19738 1 464 . 2 2 38 38 ALA CB C 13 19.1700 . . 1 . . . B 370 ALA CB . 19738 1 465 . 2 2 38 38 ALA N N 15 122.3820 . . 1 . . . B 370 ALA N . 19738 1 466 . 2 2 39 39 ALA H H 1 8.5160 . . 1 . . . B 371 ALA H . 19738 1 467 . 2 2 39 39 ALA HA H 1 4.3950 . . 1 . . . B 371 ALA HA . 19738 1 468 . 2 2 39 39 ALA HB1 H 1 1.6080 . . 1 . . . B 371 ALA HB1 . 19738 1 469 . 2 2 39 39 ALA HB2 H 1 1.6080 . . 1 . . . B 371 ALA HB2 . 19738 1 470 . 2 2 39 39 ALA HB3 H 1 1.6080 . . 1 . . . B 371 ALA HB3 . 19738 1 471 . 2 2 39 39 ALA CA C 13 54.7390 . . 1 . . . B 371 ALA CA . 19738 1 472 . 2 2 39 39 ALA CB C 13 18.9230 . . 1 . . . B 371 ALA CB . 19738 1 473 . 2 2 39 39 ALA N N 15 116.9120 . . 1 . . . B 371 ALA N . 19738 1 474 . 2 2 40 40 TYR H H 1 7.0140 . . 1 . . . B 372 TYR H . 19738 1 475 . 2 2 40 40 TYR HA H 1 5.2360 . . 1 . . . B 372 TYR HA . 19738 1 476 . 2 2 40 40 TYR HB2 H 1 3.1060 . . 2 . . . B 372 TYR HB2 . 19738 1 477 . 2 2 40 40 TYR HB3 H 1 3.6660 . . 2 . . . B 372 TYR HB3 . 19738 1 478 . 2 2 40 40 TYR HD1 H 1 7.0250 . . 3 . . . B 372 TYR HD1 . 19738 1 479 . 2 2 40 40 TYR HE1 H 1 6.9540 . . 3 . . . B 372 TYR HE1 . 19738 1 480 . 2 2 40 40 TYR CA C 13 54.4760 . . 1 . . . B 372 TYR CA . 19738 1 481 . 2 2 40 40 TYR CB C 13 38.8150 . . 1 . . . B 372 TYR CB . 19738 1 482 . 2 2 40 40 TYR CD1 C 13 134.6680 . . 1 . . . B 372 TYR CD1 . 19738 1 483 . 2 2 40 40 TYR CE1 C 13 121.0210 . . 1 . . . B 372 TYR CE1 . 19738 1 484 . 2 2 40 40 TYR N N 15 110.4000 . . 1 . . . B 372 TYR N . 19738 1 485 . 2 2 41 41 ALA H H 1 7.9500 . . 1 . . . B 373 ALA H . 19738 1 486 . 2 2 41 41 ALA HA H 1 4.7400 . . 1 . . . B 373 ALA HA . 19738 1 487 . 2 2 41 41 ALA HB1 H 1 1.5140 . . 1 . . . B 373 ALA HB1 . 19738 1 488 . 2 2 41 41 ALA HB2 H 1 1.5140 . . 1 . . . B 373 ALA HB2 . 19738 1 489 . 2 2 41 41 ALA HB3 H 1 1.5140 . . 1 . . . B 373 ALA HB3 . 19738 1 490 . 2 2 41 41 ALA CA C 13 52.2570 . . 1 . . . B 373 ALA CA . 19738 1 491 . 2 2 41 41 ALA CB C 13 22.4270 . . 1 . . . B 373 ALA CB . 19738 1 492 . 2 2 41 41 ALA N N 15 119.5820 . . 1 . . . B 373 ALA N . 19738 1 493 . 2 2 42 42 TRP H H 1 6.8670 . . 1 . . . B 374 TRP H . 19738 1 494 . 2 2 42 42 TRP HA H 1 2.6980 . . 1 . . . B 374 TRP HA . 19738 1 495 . 2 2 42 42 TRP HB2 H 1 3.0400 . . 2 . . . B 374 TRP HB2 . 19738 1 496 . 2 2 42 42 TRP HB3 H 1 3.3800 . . 2 . . . B 374 TRP HB3 . 19738 1 497 . 2 2 42 42 TRP HD1 H 1 7.8300 . . 1 . . . B 374 TRP HD1 . 19738 1 498 . 2 2 42 42 TRP HE1 H 1 9.7070 . . 1 . . . B 374 TRP HE1 . 19738 1 499 . 2 2 42 42 TRP HE3 H 1 7.2630 . . 1 . . . B 374 TRP HE3 . 19738 1 500 . 2 2 42 42 TRP HZ2 H 1 7.4780 . . 1 . . . B 374 TRP HZ2 . 19738 1 501 . 2 2 42 42 TRP HZ3 H 1 7.0540 . . 1 . . . B 374 TRP HZ3 . 19738 1 502 . 2 2 42 42 TRP HH2 H 1 7.1700 . . 1 . . . B 374 TRP HH2 . 19738 1 503 . 2 2 42 42 TRP CA C 13 59.2100 . . 1 . . . B 374 TRP CA . 19738 1 504 . 2 2 42 42 TRP CB C 13 27.6350 . . 1 . . . B 374 TRP CB . 19738 1 505 . 2 2 42 42 TRP CD1 C 13 128.0470 . . 1 . . . B 374 TRP CD1 . 19738 1 506 . 2 2 42 42 TRP CE3 C 13 120.9010 . . 1 . . . B 374 TRP CE3 . 19738 1 507 . 2 2 42 42 TRP CZ2 C 13 113.9630 . . 1 . . . B 374 TRP CZ2 . 19738 1 508 . 2 2 42 42 TRP CZ3 C 13 121.2940 . . 1 . . . B 374 TRP CZ3 . 19738 1 509 . 2 2 42 42 TRP CH2 C 13 124.6800 . . 1 . . . B 374 TRP CH2 . 19738 1 510 . 2 2 42 42 TRP N N 15 114.6950 . . 1 . . . B 374 TRP N . 19738 1 511 . 2 2 42 42 TRP NE1 N 15 129.7580 . . 1 . . . B 374 TRP NE1 . 19738 1 512 . 2 2 43 43 PRO HA H 1 3.6380 . . 1 . . . B 375 PRO HA . 19738 1 513 . 2 2 43 43 PRO HB2 H 1 -0.3900 . . 2 . . . B 375 PRO HB2 . 19738 1 514 . 2 2 43 43 PRO HB3 H 1 1.3420 . . 2 . . . B 375 PRO HB3 . 19738 1 515 . 2 2 43 43 PRO HG2 H 1 -0.7200 . . 2 . . . B 375 PRO HG2 . 19738 1 516 . 2 2 43 43 PRO HG3 H 1 0.9810 . . 2 . . . B 375 PRO HG3 . 19738 1 517 . 2 2 43 43 PRO HD2 H 1 1.5700 . . 2 . . . B 375 PRO HD2 . 19738 1 518 . 2 2 43 43 PRO HD3 H 1 2.4200 . . 2 . . . B 375 PRO HD3 . 19738 1 519 . 2 2 43 43 PRO CA C 13 64.6690 . . 1 . . . B 375 PRO CA . 19738 1 520 . 2 2 43 43 PRO CB C 13 30.1110 . . 1 . . . B 375 PRO CB . 19738 1 521 . 2 2 43 43 PRO CG C 13 27.6250 . . 1 . . . B 375 PRO CG . 19738 1 522 . 2 2 43 43 PRO CD C 13 50.0050 . . 1 . . . B 375 PRO CD . 19738 1 523 . 2 2 44 44 PHE H H 1 7.6350 . . 1 . . . B 376 PHE H . 19738 1 524 . 2 2 44 44 PHE HA H 1 4.4730 . . 1 . . . B 376 PHE HA . 19738 1 525 . 2 2 44 44 PHE HB2 H 1 2.7900 . . 2 . . . B 376 PHE HB2 . 19738 1 526 . 2 2 44 44 PHE HB3 H 1 3.8190 . . 2 . . . B 376 PHE HB3 . 19738 1 527 . 2 2 44 44 PHE HD2 H 1 7.2290 . . 3 . . . B 376 PHE HD2 . 19738 1 528 . 2 2 44 44 PHE HE2 H 1 7.2610 . . 3 . . . B 376 PHE HE2 . 19738 1 529 . 2 2 44 44 PHE HZ H 1 7.5140 . . 1 . . . B 376 PHE HZ . 19738 1 530 . 2 2 44 44 PHE CA C 13 57.2150 . . 1 . . . B 376 PHE CA . 19738 1 531 . 2 2 44 44 PHE CB C 13 38.3030 . . 1 . . . B 376 PHE CB . 19738 1 532 . 2 2 44 44 PHE CD2 C 13 132.2800 . . 1 . . . B 376 PHE CD2 . 19738 1 533 . 2 2 44 44 PHE CE2 C 13 130.3550 . . 1 . . . B 376 PHE CE2 . 19738 1 534 . 2 2 44 44 PHE CZ C 13 130.0310 . . 1 . . . B 376 PHE CZ . 19738 1 535 . 2 2 44 44 PHE N N 15 113.4460 . . 1 . . . B 376 PHE N . 19738 1 536 . 2 2 45 45 TYR H H 1 7.2790 . . 1 . . . B 377 TYR H . 19738 1 537 . 2 2 45 45 TYR HA H 1 4.5280 . . 1 . . . B 377 TYR HA . 19738 1 538 . 2 2 45 45 TYR HB2 H 1 3.4390 . . 2 . . . B 377 TYR HB2 . 19738 1 539 . 2 2 45 45 TYR HB3 H 1 3.5190 . . 2 . . . B 377 TYR HB3 . 19738 1 540 . 2 2 45 45 TYR HD1 H 1 7.1760 . . 3 . . . B 377 TYR HD1 . 19738 1 541 . 2 2 45 45 TYR HE1 H 1 6.8010 . . 3 . . . B 377 TYR HE1 . 19738 1 542 . 2 2 45 45 TYR CA C 13 57.7260 . . 1 . . . B 377 TYR CA . 19738 1 543 . 2 2 45 45 TYR CB C 13 38.3170 . . 1 . . . B 377 TYR CB . 19738 1 544 . 2 2 45 45 TYR CD1 C 13 132.0420 . . 1 . . . B 377 TYR CD1 . 19738 1 545 . 2 2 45 45 TYR CE1 C 13 117.1110 . . 1 . . . B 377 TYR CE1 . 19738 1 546 . 2 2 45 45 TYR N N 15 117.6560 . . 1 . . . B 377 TYR N . 19738 1 547 . 2 2 46 46 LYS H H 1 7.8550 . . 1 . . . B 378 LYS H . 19738 1 548 . 2 2 46 46 LYS HA H 1 4.9920 . . 1 . . . B 378 LYS HA . 19738 1 549 . 2 2 46 46 LYS HB2 H 1 1.6300 . . 2 . . . B 378 LYS HB2 . 19738 1 550 . 2 2 46 46 LYS HB3 H 1 1.9190 . . 2 . . . B 378 LYS HB3 . 19738 1 551 . 2 2 46 46 LYS HG2 H 1 1.5200 . . 2 . . . B 378 LYS HG2 . 19738 1 552 . 2 2 46 46 LYS HG3 H 1 1.5520 . . 2 . . . B 378 LYS HG3 . 19738 1 553 . 2 2 46 46 LYS HD2 H 1 1.7800 . . 2 . . . B 378 LYS HD2 . 19738 1 554 . 2 2 46 46 LYS HD3 H 1 1.8210 . . 2 . . . B 378 LYS HD3 . 19738 1 555 . 2 2 46 46 LYS HE3 H 1 3.0540 . . 2 . . . B 378 LYS HE3 . 19738 1 556 . 2 2 46 46 LYS CA C 13 53.2400 . . 1 . . . B 378 LYS CA . 19738 1 557 . 2 2 46 46 LYS CB C 13 33.8410 . . 1 . . . B 378 LYS CB . 19738 1 558 . 2 2 46 46 LYS CG C 13 24.9030 . . 1 . . . B 378 LYS CG . 19738 1 559 . 2 2 46 46 LYS CD C 13 29.1310 . . 1 . . . B 378 LYS CD . 19738 1 560 . 2 2 46 46 LYS CE C 13 41.7990 . . 1 . . . B 378 LYS CE . 19738 1 561 . 2 2 46 46 LYS N N 15 115.7340 . . 1 . . . B 378 LYS N . 19738 1 562 . 2 2 47 47 PRO HA H 1 4.0800 . . 1 . . . B 379 PRO HA . 19738 1 563 . 2 2 47 47 PRO HB2 H 1 1.5640 . . 2 . . . B 379 PRO HB2 . 19738 1 564 . 2 2 47 47 PRO HB3 H 1 2.2480 . . 2 . . . B 379 PRO HB3 . 19738 1 565 . 2 2 47 47 PRO HG2 H 1 1.9670 . . 2 . . . B 379 PRO HG2 . 19738 1 566 . 2 2 47 47 PRO HG3 H 1 2.0900 . . 2 . . . B 379 PRO HG3 . 19738 1 567 . 2 2 47 47 PRO HD2 H 1 3.5140 . . 2 . . . B 379 PRO HD2 . 19738 1 568 . 2 2 47 47 PRO HD3 H 1 3.7390 . . 2 . . . B 379 PRO HD3 . 19738 1 569 . 2 2 47 47 PRO CA C 13 63.1740 . . 1 . . . B 379 PRO CA . 19738 1 570 . 2 2 47 47 PRO CB C 13 31.8350 . . 1 . . . B 379 PRO CB . 19738 1 571 . 2 2 47 47 PRO CG C 13 27.4060 . . 1 . . . B 379 PRO CG . 19738 1 572 . 2 2 47 47 PRO CD C 13 50.5050 . . 1 . . . B 379 PRO CD . 19738 1 573 . 2 2 48 48 VAL H H 1 8.5230 . . 1 . . . B 380 VAL H . 19738 1 574 . 2 2 48 48 VAL HA H 1 3.3200 . . 1 . . . B 380 VAL HA . 19738 1 575 . 2 2 48 48 VAL HB H 1 1.2670 . . 1 . . . B 380 VAL HB . 19738 1 576 . 2 2 48 48 VAL HG11 H 1 0.7610 . . 2 . . . B 380 VAL HG11 . 19738 1 577 . 2 2 48 48 VAL HG12 H 1 0.7610 . . 2 . . . B 380 VAL HG12 . 19738 1 578 . 2 2 48 48 VAL HG13 H 1 0.7610 . . 2 . . . B 380 VAL HG13 . 19738 1 579 . 2 2 48 48 VAL HG21 H 1 -0.0400 . . 2 . . . B 380 VAL HG21 . 19738 1 580 . 2 2 48 48 VAL HG22 H 1 -0.0400 . . 2 . . . B 380 VAL HG22 . 19738 1 581 . 2 2 48 48 VAL HG23 H 1 -0.0400 . . 2 . . . B 380 VAL HG23 . 19738 1 582 . 2 2 48 48 VAL CA C 13 63.9470 . . 1 . . . B 380 VAL CA . 19738 1 583 . 2 2 48 48 VAL CB C 13 31.8350 . . 1 . . . B 380 VAL CB . 19738 1 584 . 2 2 48 48 VAL CG1 C 13 22.0000 . . 1 . . . B 380 VAL CG1 . 19738 1 585 . 2 2 48 48 VAL CG2 C 13 21.1540 . . 1 . . . B 380 VAL CG2 . 19738 1 586 . 2 2 48 48 VAL N N 15 125.7540 . . 1 . . . B 380 VAL N . 19738 1 587 . 2 2 49 49 ASP H H 1 8.4780 . . 1 . . . B 381 ASP H . 19738 1 588 . 2 2 49 49 ASP HA H 1 4.6000 . . 1 . . . B 381 ASP HA . 19738 1 589 . 2 2 49 49 ASP HB2 H 1 2.4080 . . 2 . . . B 381 ASP HB2 . 19738 1 590 . 2 2 49 49 ASP HB3 H 1 3.0060 . . 2 . . . B 381 ASP HB3 . 19738 1 591 . 2 2 49 49 ASP CA C 13 52.0040 . . 1 . . . B 381 ASP CA . 19738 1 592 . 2 2 49 49 ASP CB C 13 39.3140 . . 1 . . . B 381 ASP CB . 19738 1 593 . 2 2 49 49 ASP N N 15 129.2550 . . 1 . . . B 381 ASP N . 19738 1 594 . 2 2 50 50 VAL H H 1 7.5800 . . 1 . . . B 382 VAL H . 19738 1 595 . 2 2 50 50 VAL HA H 1 3.3800 . . 1 . . . B 382 VAL HA . 19738 1 596 . 2 2 50 50 VAL HB H 1 2.2400 . . 1 . . . B 382 VAL HB . 19738 1 597 . 2 2 50 50 VAL HG11 H 1 0.8820 . . 2 . . . B 382 VAL HG11 . 19738 1 598 . 2 2 50 50 VAL HG12 H 1 0.8820 . . 2 . . . B 382 VAL HG12 . 19738 1 599 . 2 2 50 50 VAL HG13 H 1 0.8820 . . 2 . . . B 382 VAL HG13 . 19738 1 600 . 2 2 50 50 VAL HG21 H 1 0.9350 . . 2 . . . B 382 VAL HG21 . 19738 1 601 . 2 2 50 50 VAL HG22 H 1 0.9350 . . 2 . . . B 382 VAL HG22 . 19738 1 602 . 2 2 50 50 VAL HG23 H 1 0.9350 . . 2 . . . B 382 VAL HG23 . 19738 1 603 . 2 2 50 50 VAL CA C 13 65.0250 . . 1 . . . B 382 VAL CA . 19738 1 604 . 2 2 50 50 VAL CB C 13 31.3310 . . 1 . . . B 382 VAL CB . 19738 1 605 . 2 2 50 50 VAL CG1 C 13 22.3700 . . 1 . . . B 382 VAL CG1 . 19738 1 606 . 2 2 50 50 VAL CG2 C 13 19.6300 . . 1 . . . B 382 VAL CG2 . 19738 1 607 . 2 2 50 50 VAL N N 15 119.3500 . . 1 . . . B 382 VAL N . 19738 1 608 . 2 2 51 51 GLU H H 1 8.2120 . . 1 . . . B 383 GLU H . 19738 1 609 . 2 2 51 51 GLU HA H 1 4.1270 . . 1 . . . B 383 GLU HA . 19738 1 610 . 2 2 51 51 GLU HB3 H 1 2.1020 . . 2 . . . B 383 GLU HB3 . 19738 1 611 . 2 2 51 51 GLU HG2 H 1 2.2310 . . 2 . . . B 383 GLU HG2 . 19738 1 612 . 2 2 51 51 GLU HG3 H 1 2.3200 . . 2 . . . B 383 GLU HG3 . 19738 1 613 . 2 2 51 51 GLU CA C 13 58.1360 . . 1 . . . B 383 GLU CA . 19738 1 614 . 2 2 51 51 GLU CB C 13 29.6310 . . 1 . . . B 383 GLU CB . 19738 1 615 . 2 2 51 51 GLU CG C 13 36.3610 . . 1 . . . B 383 GLU CG . 19738 1 616 . 2 2 51 51 GLU N N 15 119.3560 . . 1 . . . B 383 GLU N . 19738 1 617 . 2 2 52 52 ALA H H 1 7.7640 . . 1 . . . B 384 ALA H . 19738 1 618 . 2 2 52 52 ALA HA H 1 4.1390 . . 1 . . . B 384 ALA HA . 19738 1 619 . 2 2 52 52 ALA HB1 H 1 1.3840 . . 1 . . . B 384 ALA HB1 . 19738 1 620 . 2 2 52 52 ALA HB2 H 1 1.3840 . . 1 . . . B 384 ALA HB2 . 19738 1 621 . 2 2 52 52 ALA HB3 H 1 1.3840 . . 1 . . . B 384 ALA HB3 . 19738 1 622 . 2 2 52 52 ALA CA C 13 54.1100 . . 1 . . . B 384 ALA CA . 19738 1 623 . 2 2 52 52 ALA CB C 13 18.7010 . . 1 . . . B 384 ALA CB . 19738 1 624 . 2 2 52 52 ALA N N 15 123.2600 . . 1 . . . B 384 ALA N . 19738 1 625 . 2 2 53 53 LEU H H 1 7.8500 . . 1 . . . B 385 LEU H . 19738 1 626 . 2 2 53 53 LEU HA H 1 4.2800 . . 1 . . . B 385 LEU HA . 19738 1 627 . 2 2 53 53 LEU HB3 H 1 1.5900 . . 2 . . . B 385 LEU HB3 . 19738 1 628 . 2 2 53 53 LEU HG H 1 1.8290 . . 1 . . . B 385 LEU HG . 19738 1 629 . 2 2 53 53 LEU HD11 H 1 0.8600 . . 2 . . . B 385 LEU HD11 . 19738 1 630 . 2 2 53 53 LEU HD12 H 1 0.8600 . . 2 . . . B 385 LEU HD12 . 19738 1 631 . 2 2 53 53 LEU HD13 H 1 0.8600 . . 2 . . . B 385 LEU HD13 . 19738 1 632 . 2 2 53 53 LEU HD21 H 1 0.9200 . . 2 . . . B 385 LEU HD21 . 19738 1 633 . 2 2 53 53 LEU HD22 H 1 0.9200 . . 2 . . . B 385 LEU HD22 . 19738 1 634 . 2 2 53 53 LEU HD23 H 1 0.9200 . . 2 . . . B 385 LEU HD23 . 19738 1 635 . 2 2 53 53 LEU CA C 13 54.9160 . . 1 . . . B 385 LEU CA . 19738 1 636 . 2 2 53 53 LEU CB C 13 42.8400 . . 1 . . . B 385 LEU CB . 19738 1 637 . 2 2 53 53 LEU CG C 13 27.1500 . . 1 . . . B 385 LEU CG . 19738 1 638 . 2 2 53 53 LEU CD1 C 13 25.5400 . . 1 . . . B 385 LEU CD1 . 19738 1 639 . 2 2 53 53 LEU CD2 C 13 22.9350 . . 1 . . . B 385 LEU CD2 . 19738 1 640 . 2 2 53 53 LEU N N 15 114.4700 . . 1 . . . B 385 LEU N . 19738 1 641 . 2 2 54 54 GLY HA2 H 1 3.7870 . . 2 . . . B 386 GLY HA2 . 19738 1 642 . 2 2 54 54 GLY HA3 H 1 4.0000 . . 2 . . . B 386 GLY HA3 . 19738 1 643 . 2 2 54 54 GLY CA C 13 46.2850 . . 1 . . . B 386 GLY CA . 19738 1 644 . 2 2 54 54 GLY N N 15 109.5120 . . 1 . . . B 386 GLY N . 19738 1 645 . 2 2 55 55 LEU H H 1 7.8600 . . 1 . . . B 387 LEU H . 19738 1 646 . 2 2 55 55 LEU HA H 1 4.7000 . . 1 . . . B 387 LEU HA . 19738 1 647 . 2 2 55 55 LEU HB2 H 1 1.6200 . . 2 . . . B 387 LEU HB2 . 19738 1 648 . 2 2 55 55 LEU HB3 H 1 1.7300 . . 2 . . . B 387 LEU HB3 . 19738 1 649 . 2 2 55 55 LEU HG H 1 1.4790 . . 1 . . . B 387 LEU HG . 19738 1 650 . 2 2 55 55 LEU HD11 H 1 0.6210 . . 2 . . . B 387 LEU HD11 . 19738 1 651 . 2 2 55 55 LEU HD12 H 1 0.6210 . . 2 . . . B 387 LEU HD12 . 19738 1 652 . 2 2 55 55 LEU HD13 H 1 0.6210 . . 2 . . . B 387 LEU HD13 . 19738 1 653 . 2 2 55 55 LEU HD21 H 1 0.8800 . . 2 . . . B 387 LEU HD21 . 19738 1 654 . 2 2 55 55 LEU HD22 H 1 0.8800 . . 2 . . . B 387 LEU HD22 . 19738 1 655 . 2 2 55 55 LEU HD23 H 1 0.8800 . . 2 . . . B 387 LEU HD23 . 19738 1 656 . 2 2 55 55 LEU CA C 13 52.4300 . . 1 . . . B 387 LEU CA . 19738 1 657 . 2 2 55 55 LEU CB C 13 40.4900 . . 1 . . . B 387 LEU CB . 19738 1 658 . 2 2 55 55 LEU CG C 13 26.0330 . . 1 . . . B 387 LEU CG . 19738 1 659 . 2 2 55 55 LEU CD1 C 13 26.2670 . . 1 . . . B 387 LEU CD1 . 19738 1 660 . 2 2 55 55 LEU CD2 C 13 22.2900 . . 1 . . . B 387 LEU CD2 . 19738 1 661 . 2 2 55 55 LEU N N 15 119.2500 . . 1 . . . B 387 LEU N . 19738 1 662 . 2 2 56 56 HIS H H 1 8.4180 . . 1 . . . B 388 HIS H . 19738 1 663 . 2 2 56 56 HIS HA H 1 4.4480 . . 1 . . . B 388 HIS HA . 19738 1 664 . 2 2 56 56 HIS HB2 H 1 3.1700 . . 2 . . . B 388 HIS HB2 . 19738 1 665 . 2 2 56 56 HIS HB3 H 1 3.2300 . . 2 . . . B 388 HIS HB3 . 19738 1 666 . 2 2 56 56 HIS HD2 H 1 7.1000 . . 1 . . . B 388 HIS HD2 . 19738 1 667 . 2 2 56 56 HIS HE1 H 1 7.9510 . . 1 . . . B 388 HIS HE1 . 19738 1 668 . 2 2 56 56 HIS CA C 13 58.4580 . . 1 . . . B 388 HIS CA . 19738 1 669 . 2 2 56 56 HIS CB C 13 30.1490 . . 1 . . . B 388 HIS CB . 19738 1 670 . 2 2 56 56 HIS CD2 C 13 119.3550 . . 1 . . . B 388 HIS CD2 . 19738 1 671 . 2 2 56 56 HIS CE1 C 13 138.4820 . . 1 . . . B 388 HIS CE1 . 19738 1 672 . 2 2 56 56 HIS N N 15 116.7730 . . 1 . . . B 388 HIS N . 19738 1 673 . 2 2 57 57 ASP H H 1 8.5000 . . 1 . . . B 389 ASP H . 19738 1 674 . 2 2 57 57 ASP HA H 1 4.7300 . . 1 . . . B 389 ASP HA . 19738 1 675 . 2 2 57 57 ASP HB2 H 1 2.5600 . . 2 . . . B 389 ASP HB2 . 19738 1 676 . 2 2 57 57 ASP HB3 H 1 3.1000 . . 2 . . . B 389 ASP HB3 . 19738 1 677 . 2 2 57 57 ASP CA C 13 52.7030 . . 1 . . . B 389 ASP CA . 19738 1 678 . 2 2 57 57 ASP CB C 13 40.5500 . . 1 . . . B 389 ASP CB . 19738 1 679 . 2 2 57 57 ASP N N 15 116.1700 . . 1 . . . B 389 ASP N . 19738 1 680 . 2 2 58 58 TYR H H 1 7.6300 . . 1 . . . B 390 TYR H . 19738 1 681 . 2 2 58 58 TYR HA H 1 3.6680 . . 1 . . . B 390 TYR HA . 19738 1 682 . 2 2 58 58 TYR HB2 H 1 2.7360 . . 2 . . . B 390 TYR HB2 . 19738 1 683 . 2 2 58 58 TYR HB3 H 1 2.8900 . . 2 . . . B 390 TYR HB3 . 19738 1 684 . 2 2 58 58 TYR HD1 H 1 5.9810 . . 3 . . . B 390 TYR HD1 . 19738 1 685 . 2 2 58 58 TYR HE1 H 1 6.1200 . . 3 . . . B 390 TYR HE1 . 19738 1 686 . 2 2 58 58 TYR CA C 13 63.4310 . . 1 . . . B 390 TYR CA . 19738 1 687 . 2 2 58 58 TYR CB C 13 39.6850 . . 1 . . . B 390 TYR CB . 19738 1 688 . 2 2 58 58 TYR CE1 C 13 116.3350 . . 1 . . . B 390 TYR CE1 . 19738 1 689 . 2 2 58 58 TYR N N 15 123.7640 . . 1 . . . B 390 TYR N . 19738 1 690 . 2 2 59 59 CYS H H 1 8.4990 . . 1 . . . B 391 CYS H . 19738 1 691 . 2 2 59 59 CYS HA H 1 4.4000 . . 1 . . . B 391 CYS HA . 19738 1 692 . 2 2 59 59 CYS HB2 H 1 2.8470 . . 2 . . . B 391 CYS HB2 . 19738 1 693 . 2 2 59 59 CYS HB3 H 1 3.0950 . . 2 . . . B 391 CYS HB3 . 19738 1 694 . 2 2 59 59 CYS CA C 13 60.2020 . . 1 . . . B 391 CYS CA . 19738 1 695 . 2 2 59 59 CYS CB C 13 26.6700 . . 1 . . . B 391 CYS CB . 19738 1 696 . 2 2 59 59 CYS N N 15 112.7830 . . 1 . . . B 391 CYS N . 19738 1 697 . 2 2 60 60 ASP H H 1 7.3910 . . 1 . . . B 392 ASP H . 19738 1 698 . 2 2 60 60 ASP HA H 1 4.4140 . . 1 . . . B 392 ASP HA . 19738 1 699 . 2 2 60 60 ASP HB2 H 1 2.6870 . . 2 . . . B 392 ASP HB2 . 19738 1 700 . 2 2 60 60 ASP HB3 H 1 2.7720 . . 2 . . . B 392 ASP HB3 . 19738 1 701 . 2 2 60 60 ASP CA C 13 55.7280 . . 1 . . . B 392 ASP CA . 19738 1 702 . 2 2 60 60 ASP CB C 13 41.0580 . . 1 . . . B 392 ASP CB . 19738 1 703 . 2 2 60 60 ASP N N 15 118.5290 . . 1 . . . B 392 ASP N . 19738 1 704 . 2 2 61 61 ILE H H 1 7.1470 . . 1 . . . B 393 ILE H . 19738 1 705 . 2 2 61 61 ILE HA H 1 3.8790 . . 1 . . . B 393 ILE HA . 19738 1 706 . 2 2 61 61 ILE HB H 1 1.7040 . . 1 . . . B 393 ILE HB . 19738 1 707 . 2 2 61 61 ILE HG12 H 1 1.3200 . . 1 . . . B 393 ILE HG12 . 19738 1 708 . 2 2 61 61 ILE HG13 H 1 1.6400 . . 1 . . . B 393 ILE HG13 . 19738 1 709 . 2 2 61 61 ILE HG21 H 1 0.9370 . . 1 . . . B 393 ILE HG21 . 19738 1 710 . 2 2 61 61 ILE HG22 H 1 0.9370 . . 1 . . . B 393 ILE HG22 . 19738 1 711 . 2 2 61 61 ILE HG23 H 1 0.9370 . . 1 . . . B 393 ILE HG23 . 19738 1 712 . 2 2 61 61 ILE HD11 H 1 0.8910 . . 1 . . . B 393 ILE HD11 . 19738 1 713 . 2 2 61 61 ILE HD12 H 1 0.8910 . . 1 . . . B 393 ILE HD12 . 19738 1 714 . 2 2 61 61 ILE HD13 H 1 0.8910 . . 1 . . . B 393 ILE HD13 . 19738 1 715 . 2 2 61 61 ILE CA C 13 61.9380 . . 1 . . . B 393 ILE CA . 19738 1 716 . 2 2 61 61 ILE CB C 13 39.8490 . . 1 . . . B 393 ILE CB . 19738 1 717 . 2 2 61 61 ILE CG1 C 13 28.1550 . . 1 . . . B 393 ILE CG1 . 19738 1 718 . 2 2 61 61 ILE CG2 C 13 17.1340 . . 1 . . . B 393 ILE CG2 . 19738 1 719 . 2 2 61 61 ILE CD1 C 13 12.2330 . . 1 . . . B 393 ILE CD1 . 19738 1 720 . 2 2 61 61 ILE N N 15 118.9880 . . 1 . . . B 393 ILE N . 19738 1 721 . 2 2 62 62 ILE H H 1 8.5570 . . 1 . . . B 394 ILE H . 19738 1 722 . 2 2 62 62 ILE HA H 1 3.8750 . . 1 . . . B 394 ILE HA . 19738 1 723 . 2 2 62 62 ILE HB H 1 1.3600 . . 1 . . . B 394 ILE HB . 19738 1 724 . 2 2 62 62 ILE HG13 H 1 1.7220 . . 1 . . . B 394 ILE HG13 . 19738 1 725 . 2 2 62 62 ILE HG21 H 1 0.4260 . . 1 . . . B 394 ILE HG21 . 19738 1 726 . 2 2 62 62 ILE HG22 H 1 0.4260 . . 1 . . . B 394 ILE HG22 . 19738 1 727 . 2 2 62 62 ILE HG23 H 1 0.4260 . . 1 . . . B 394 ILE HG23 . 19738 1 728 . 2 2 62 62 ILE HD11 H 1 0.6800 . . 1 . . . B 394 ILE HD11 . 19738 1 729 . 2 2 62 62 ILE HD12 H 1 0.6800 . . 1 . . . B 394 ILE HD12 . 19738 1 730 . 2 2 62 62 ILE HD13 H 1 0.6800 . . 1 . . . B 394 ILE HD13 . 19738 1 731 . 2 2 62 62 ILE CA C 13 56.7120 . . 1 . . . B 394 ILE CA . 19738 1 732 . 2 2 62 62 ILE CB C 13 33.8290 . . 1 . . . B 394 ILE CB . 19738 1 733 . 2 2 62 62 ILE CG1 C 13 29.3570 . . 1 . . . B 394 ILE CG1 . 19738 1 734 . 2 2 62 62 ILE CG2 C 13 15.9280 . . 1 . . . B 394 ILE CG2 . 19738 1 735 . 2 2 62 62 ILE CD1 C 13 9.9890 . . 1 . . . B 394 ILE CD1 . 19738 1 736 . 2 2 62 62 ILE N N 15 122.2410 . . 1 . . . B 394 ILE N . 19738 1 737 . 2 2 63 63 LYS H H 1 7.7420 . . 1 . . . B 395 LYS H . 19738 1 738 . 2 2 63 63 LYS HA H 1 4.0120 . . 1 . . . B 395 LYS HA . 19738 1 739 . 2 2 63 63 LYS HB3 H 1 1.4520 . . 2 . . . B 395 LYS HB3 . 19738 1 740 . 2 2 63 63 LYS HG2 H 1 1.1840 . . 2 . . . B 395 LYS HG2 . 19738 1 741 . 2 2 63 63 LYS HG3 H 1 1.3040 . . 2 . . . B 395 LYS HG3 . 19738 1 742 . 2 2 63 63 LYS HD3 H 1 1.5200 . . 2 . . . B 395 LYS HD3 . 19738 1 743 . 2 2 63 63 LYS HE3 H 1 2.9450 . . 2 . . . B 395 LYS HE3 . 19738 1 744 . 2 2 63 63 LYS CA C 13 56.4790 . . 1 . . . B 395 LYS CA . 19738 1 745 . 2 2 63 63 LYS CB C 13 32.3340 . . 1 . . . B 395 LYS CB . 19738 1 746 . 2 2 63 63 LYS CG C 13 24.8770 . . 1 . . . B 395 LYS CG . 19738 1 747 . 2 2 63 63 LYS CD C 13 28.1210 . . 1 . . . B 395 LYS CD . 19738 1 748 . 2 2 63 63 LYS CE C 13 41.9670 . . 1 . . . B 395 LYS CE . 19738 1 749 . 2 2 63 63 LYS N N 15 123.7290 . . 1 . . . B 395 LYS N . 19738 1 750 . 2 2 64 64 HIS H H 1 8.2910 . . 1 . . . B 396 HIS H . 19738 1 751 . 2 2 64 64 HIS HA H 1 5.0590 . . 1 . . . B 396 HIS HA . 19738 1 752 . 2 2 64 64 HIS HB3 H 1 3.0980 . . 2 . . . B 396 HIS HB3 . 19738 1 753 . 2 2 64 64 HIS HD2 H 1 7.0200 . . 1 . . . B 396 HIS HD2 . 19738 1 754 . 2 2 64 64 HIS HE1 H 1 8.1760 . . 1 . . . B 396 HIS HE1 . 19738 1 755 . 2 2 64 64 HIS CA C 13 52.2520 . . 1 . . . B 396 HIS CA . 19738 1 756 . 2 2 64 64 HIS CB C 13 29.8900 . . 1 . . . B 396 HIS CB . 19738 1 757 . 2 2 64 64 HIS CD2 C 13 121.0780 . . 1 . . . B 396 HIS CD2 . 19738 1 758 . 2 2 64 64 HIS CE1 C 13 136.7410 . . 1 . . . B 396 HIS CE1 . 19738 1 759 . 2 2 64 64 HIS N N 15 116.6970 . . 1 . . . B 396 HIS N . 19738 1 760 . 2 2 65 65 PRO HA H 1 4.0030 . . 1 . . . B 397 PRO HA . 19738 1 761 . 2 2 65 65 PRO HB2 H 1 1.9990 . . 2 . . . B 397 PRO HB2 . 19738 1 762 . 2 2 65 65 PRO HB3 H 1 2.2930 . . 2 . . . B 397 PRO HB3 . 19738 1 763 . 2 2 65 65 PRO HG2 H 1 1.9070 . . 2 . . . B 397 PRO HG2 . 19738 1 764 . 2 2 65 65 PRO HG3 H 1 2.1170 . . 2 . . . B 397 PRO HG3 . 19738 1 765 . 2 2 65 65 PRO HD2 H 1 3.3750 . . 2 . . . B 397 PRO HD2 . 19738 1 766 . 2 2 65 65 PRO HD3 H 1 3.6230 . . 2 . . . B 397 PRO HD3 . 19738 1 767 . 2 2 65 65 PRO CA C 13 63.1800 . . 1 . . . B 397 PRO CA . 19738 1 768 . 2 2 65 65 PRO CB C 13 32.0770 . . 1 . . . B 397 PRO CB . 19738 1 769 . 2 2 65 65 PRO CG C 13 27.4000 . . 1 . . . B 397 PRO CG . 19738 1 770 . 2 2 65 65 PRO CD C 13 50.2580 . . 1 . . . B 397 PRO CD . 19738 1 771 . 2 2 66 66 MET H H 1 8.2690 . . 1 . . . B 398 MET H . 19738 1 772 . 2 2 66 66 MET HA H 1 5.0530 . . 1 . . . B 398 MET HA . 19738 1 773 . 2 2 66 66 MET HB2 H 1 1.1800 . . 2 . . . B 398 MET HB2 . 19738 1 774 . 2 2 66 66 MET HB3 H 1 2.0500 . . 2 . . . B 398 MET HB3 . 19738 1 775 . 2 2 66 66 MET HG2 H 1 1.9200 . . 2 . . . B 398 MET HG2 . 19738 1 776 . 2 2 66 66 MET HG3 H 1 2.8510 . . 2 . . . B 398 MET HG3 . 19738 1 777 . 2 2 66 66 MET HE1 H 1 1.9970 . . 1 . . . B 398 MET HE1 . 19738 1 778 . 2 2 66 66 MET HE2 H 1 1.9970 . . 1 . . . B 398 MET HE2 . 19738 1 779 . 2 2 66 66 MET HE3 H 1 1.9970 . . 1 . . . B 398 MET HE3 . 19738 1 780 . 2 2 66 66 MET CA C 13 53.7390 . . 1 . . . B 398 MET CA . 19738 1 781 . 2 2 66 66 MET CB C 13 31.8520 . . 1 . . . B 398 MET CB . 19738 1 782 . 2 2 66 66 MET CG C 13 30.8570 . . 1 . . . B 398 MET CG . 19738 1 783 . 2 2 66 66 MET CE C 13 14.0350 . . 1 . . . B 398 MET CE . 19738 1 784 . 2 2 66 66 MET N N 15 119.1310 . . 1 . . . B 398 MET N . 19738 1 785 . 2 2 67 67 ASP H H 1 7.2140 . . 1 . . . B 399 ASP H . 19738 1 786 . 2 2 67 67 ASP HA H 1 4.7720 . . 1 . . . B 399 ASP HA . 19738 1 787 . 2 2 67 67 ASP HB2 H 1 2.2260 . . 2 . . . B 399 ASP HB2 . 19738 1 788 . 2 2 67 67 ASP HB3 H 1 2.3660 . . 2 . . . B 399 ASP HB3 . 19738 1 789 . 2 2 67 67 ASP CA C 13 53.4870 . . 1 . . . B 399 ASP CA . 19738 1 790 . 2 2 67 67 ASP CB C 13 44.5340 . . 1 . . . B 399 ASP CB . 19738 1 791 . 2 2 67 67 ASP N N 15 119.9460 . . 1 . . . B 399 ASP N . 19738 1 792 . 2 2 68 68 MET H H 1 8.9320 . . 1 . . . B 400 MET H . 19738 1 793 . 2 2 68 68 MET HA H 1 3.7170 . . 1 . . . B 400 MET HA . 19738 1 794 . 2 2 68 68 MET HB3 H 1 2.0700 . . 2 . . . B 400 MET HB3 . 19738 1 795 . 2 2 68 68 MET HG2 H 1 1.8500 . . 2 . . . B 400 MET HG2 . 19738 1 796 . 2 2 68 68 MET HG3 H 1 2.4200 . . 2 . . . B 400 MET HG3 . 19738 1 797 . 2 2 68 68 MET HE1 H 1 0.9340 . . 1 . . . B 400 MET HE1 . 19738 1 798 . 2 2 68 68 MET HE2 H 1 0.9340 . . 1 . . . B 400 MET HE2 . 19738 1 799 . 2 2 68 68 MET HE3 H 1 0.9340 . . 1 . . . B 400 MET HE3 . 19738 1 800 . 2 2 68 68 MET CA C 13 60.6970 . . 1 . . . B 400 MET CA . 19738 1 801 . 2 2 68 68 MET CB C 13 35.7870 . . 1 . . . B 400 MET CB . 19738 1 802 . 2 2 68 68 MET CG C 13 32.1000 . . 1 . . . B 400 MET CG . 19738 1 803 . 2 2 68 68 MET CE C 13 14.6870 . . 1 . . . B 400 MET CE . 19738 1 804 . 2 2 68 68 MET N N 15 117.8830 . . 1 . . . B 400 MET N . 19738 1 805 . 2 2 69 69 SER H H 1 8.8140 . . 1 . . . B 401 SER H . 19738 1 806 . 2 2 69 69 SER HA H 1 4.5180 . . 1 . . . B 401 SER HA . 19738 1 807 . 2 2 69 69 SER HB2 H 1 4.2560 . . 2 . . . B 401 SER HB2 . 19738 1 808 . 2 2 69 69 SER HB3 H 1 4.4030 . . 2 . . . B 401 SER HB3 . 19738 1 809 . 2 2 69 69 SER CA C 13 63.3880 . . 1 . . . B 401 SER CA . 19738 1 810 . 2 2 69 69 SER CB C 13 62.1830 . . 1 . . . B 401 SER CB . 19738 1 811 . 2 2 69 69 SER N N 15 119.6340 . . 1 . . . B 401 SER N . 19738 1 812 . 2 2 70 70 THR H H 1 8.3840 . . 1 . . . B 402 THR H . 19738 1 813 . 2 2 70 70 THR HA H 1 3.9240 . . 1 . . . B 402 THR HA . 19738 1 814 . 2 2 70 70 THR HB H 1 4.2200 . . 1 . . . B 402 THR HB . 19738 1 815 . 2 2 70 70 THR HG21 H 1 1.1560 . . 1 . . . B 402 THR HG21 . 19738 1 816 . 2 2 70 70 THR HG22 H 1 1.1560 . . 1 . . . B 402 THR HG22 . 19738 1 817 . 2 2 70 70 THR HG23 H 1 1.1560 . . 1 . . . B 402 THR HG23 . 19738 1 818 . 2 2 70 70 THR CA C 13 67.1560 . . 1 . . . B 402 THR CA . 19738 1 819 . 2 2 70 70 THR CB C 13 67.5970 . . 1 . . . B 402 THR CB . 19738 1 820 . 2 2 70 70 THR CG2 C 13 21.9210 . . 1 . . . B 402 THR CG2 . 19738 1 821 . 2 2 70 70 THR N N 15 107.2660 . . 1 . . . B 402 THR N . 19738 1 822 . 2 2 71 71 ILE H H 1 7.6580 . . 1 . . . B 403 ILE H . 19738 1 823 . 2 2 71 71 ILE HA H 1 4.2020 . . 1 . . . B 403 ILE HA . 19738 1 824 . 2 2 71 71 ILE HB H 1 1.7450 . . 1 . . . B 403 ILE HB . 19738 1 825 . 2 2 71 71 ILE HG12 H 1 1.0310 . . 1 . . . B 403 ILE HG12 . 19738 1 826 . 2 2 71 71 ILE HG13 H 1 1.9260 . . 1 . . . B 403 ILE HG13 . 19738 1 827 . 2 2 71 71 ILE HG21 H 1 1.1220 . . 1 . . . B 403 ILE HG21 . 19738 1 828 . 2 2 71 71 ILE HG22 H 1 1.1220 . . 1 . . . B 403 ILE HG22 . 19738 1 829 . 2 2 71 71 ILE HG23 H 1 1.1220 . . 1 . . . B 403 ILE HG23 . 19738 1 830 . 2 2 71 71 ILE HD11 H 1 0.2490 . . 1 . . . B 403 ILE HD11 . 19738 1 831 . 2 2 71 71 ILE HD12 H 1 0.2490 . . 1 . . . B 403 ILE HD12 . 19738 1 832 . 2 2 71 71 ILE HD13 H 1 0.2490 . . 1 . . . B 403 ILE HD13 . 19738 1 833 . 2 2 71 71 ILE CA C 13 65.1670 . . 1 . . . B 403 ILE CA . 19738 1 834 . 2 2 71 71 ILE CB C 13 38.5540 . . 1 . . . B 403 ILE CB . 19738 1 835 . 2 2 71 71 ILE CG1 C 13 29.3650 . . 1 . . . B 403 ILE CG1 . 19738 1 836 . 2 2 71 71 ILE CG2 C 13 18.7140 . . 1 . . . B 403 ILE CG2 . 19738 1 837 . 2 2 71 71 ILE CD1 C 13 14.1650 . . 1 . . . B 403 ILE CD1 . 19738 1 838 . 2 2 71 71 ILE N N 15 123.1970 . . 1 . . . B 403 ILE N . 19738 1 839 . 2 2 72 72 LYS H H 1 8.4610 . . 1 . . . B 404 LYS H . 19738 1 840 . 2 2 72 72 LYS HA H 1 3.9190 . . 1 . . . B 404 LYS HA . 19738 1 841 . 2 2 72 72 LYS HB2 H 1 2.1140 . . 2 . . . B 404 LYS HB2 . 19738 1 842 . 2 2 72 72 LYS HB3 H 1 2.3200 . . 2 . . . B 404 LYS HB3 . 19738 1 843 . 2 2 72 72 LYS HG3 H 1 1.4110 . . 2 . . . B 404 LYS HG3 . 19738 1 844 . 2 2 72 72 LYS HD3 H 1 1.5220 . . 2 . . . B 404 LYS HD3 . 19738 1 845 . 2 2 72 72 LYS HE3 H 1 2.8380 . . 2 . . . B 404 LYS HE3 . 19738 1 846 . 2 2 72 72 LYS CA C 13 60.4470 . . 1 . . . B 404 LYS CA . 19738 1 847 . 2 2 72 72 LYS CB C 13 33.3600 . . 1 . . . B 404 LYS CB . 19738 1 848 . 2 2 72 72 LYS CG C 13 24.6500 . . 1 . . . B 404 LYS CG . 19738 1 849 . 2 2 72 72 LYS CD C 13 29.8800 . . 1 . . . B 404 LYS CD . 19738 1 850 . 2 2 72 72 LYS CE C 13 41.5700 . . 1 . . . B 404 LYS CE . 19738 1 851 . 2 2 72 72 LYS N N 15 120.5870 . . 1 . . . B 404 LYS N . 19738 1 852 . 2 2 73 73 SER H H 1 8.2350 . . 1 . . . B 405 SER H . 19738 1 853 . 2 2 73 73 SER HA H 1 4.2450 . . 1 . . . B 405 SER HA . 19738 1 854 . 2 2 73 73 SER HB2 H 1 4.0710 . . 2 . . . B 405 SER HB2 . 19738 1 855 . 2 2 73 73 SER HB3 H 1 4.0480 . . 2 . . . B 405 SER HB3 . 19738 1 856 . 2 2 73 73 SER CA C 13 61.9400 . . 1 . . . B 405 SER CA . 19738 1 857 . 2 2 73 73 SER CB C 13 62.6030 . . 1 . . . B 405 SER CB . 19738 1 858 . 2 2 73 73 SER N N 15 114.7040 . . 1 . . . B 405 SER N . 19738 1 859 . 2 2 74 74 LYS H H 1 8.3510 . . 1 . . . B 406 LYS H . 19738 1 860 . 2 2 74 74 LYS HA H 1 3.8640 . . 1 . . . B 406 LYS HA . 19738 1 861 . 2 2 74 74 LYS HB2 H 1 0.8400 . . 2 . . . B 406 LYS HB2 . 19738 1 862 . 2 2 74 74 LYS HB3 H 1 1.9400 . . 2 . . . B 406 LYS HB3 . 19738 1 863 . 2 2 74 74 LYS HG2 H 1 1.0600 . . 2 . . . B 406 LYS HG2 . 19738 1 864 . 2 2 74 74 LYS HG3 H 1 1.8170 . . 2 . . . B 406 LYS HG3 . 19738 1 865 . 2 2 74 74 LYS HD2 H 1 1.4360 . . 2 . . . B 406 LYS HD2 . 19738 1 866 . 2 2 74 74 LYS HD3 H 1 1.6010 . . 2 . . . B 406 LYS HD3 . 19738 1 867 . 2 2 74 74 LYS HE2 H 1 2.3830 . . 2 . . . B 406 LYS HE2 . 19738 1 868 . 2 2 74 74 LYS HE3 H 1 2.5430 . . 2 . . . B 406 LYS HE3 . 19738 1 869 . 2 2 74 74 LYS CA C 13 60.4480 . . 1 . . . B 406 LYS CA . 19738 1 870 . 2 2 74 74 LYS CB C 13 32.0360 . . 1 . . . B 406 LYS CB . 19738 1 871 . 2 2 74 74 LYS CG C 13 26.1680 . . 1 . . . B 406 LYS CG . 19738 1 872 . 2 2 74 74 LYS CD C 13 28.8680 . . 1 . . . B 406 LYS CD . 19738 1 873 . 2 2 74 74 LYS CE C 13 41.3010 . . 1 . . . B 406 LYS CE . 19738 1 874 . 2 2 74 74 LYS N N 15 123.8540 . . 1 . . . B 406 LYS N . 19738 1 875 . 2 2 75 75 LEU H H 1 8.7340 . . 1 . . . B 407 LEU H . 19738 1 876 . 2 2 75 75 LEU HA H 1 4.4280 . . 1 . . . B 407 LEU HA . 19738 1 877 . 2 2 75 75 LEU HB2 H 1 1.9720 . . 2 . . . B 407 LEU HB2 . 19738 1 878 . 2 2 75 75 LEU HB3 H 1 2.1640 . . 2 . . . B 407 LEU HB3 . 19738 1 879 . 2 2 75 75 LEU HG H 1 1.9890 . . 1 . . . B 407 LEU HG . 19738 1 880 . 2 2 75 75 LEU HD11 H 1 1.0780 . . 2 . . . B 407 LEU HD11 . 19738 1 881 . 2 2 75 75 LEU HD12 H 1 1.0780 . . 2 . . . B 407 LEU HD12 . 19738 1 882 . 2 2 75 75 LEU HD13 H 1 1.0780 . . 2 . . . B 407 LEU HD13 . 19738 1 883 . 2 2 75 75 LEU HD21 H 1 0.9580 . . 2 . . . B 407 LEU HD21 . 19738 1 884 . 2 2 75 75 LEU HD22 H 1 0.9580 . . 2 . . . B 407 LEU HD22 . 19738 1 885 . 2 2 75 75 LEU HD23 H 1 0.9580 . . 2 . . . B 407 LEU HD23 . 19738 1 886 . 2 2 75 75 LEU CA C 13 58.1800 . . 1 . . . B 407 LEU CA . 19738 1 887 . 2 2 75 75 LEU CB C 13 42.8070 . . 1 . . . B 407 LEU CB . 19738 1 888 . 2 2 75 75 LEU CG C 13 27.3990 . . 1 . . . B 407 LEU CG . 19738 1 889 . 2 2 75 75 LEU CD1 C 13 25.9940 . . 1 . . . B 407 LEU CD1 . 19738 1 890 . 2 2 75 75 LEU CD2 C 13 25.1970 . . 1 . . . B 407 LEU CD2 . 19738 1 891 . 2 2 75 75 LEU N N 15 121.2630 . . 1 . . . B 407 LEU N . 19738 1 892 . 2 2 76 76 GLU H H 1 8.6660 . . 1 . . . B 408 GLU H . 19738 1 893 . 2 2 76 76 GLU HA H 1 4.0320 . . 1 . . . B 408 GLU HA . 19738 1 894 . 2 2 76 76 GLU HB2 H 1 2.0540 . . 2 . . . B 408 GLU HB2 . 19738 1 895 . 2 2 76 76 GLU HB3 H 1 2.1340 . . 2 . . . B 408 GLU HB3 . 19738 1 896 . 2 2 76 76 GLU HG2 H 1 2.3210 . . 2 . . . B 408 GLU HG2 . 19738 1 897 . 2 2 76 76 GLU HG3 H 1 2.6100 . . 2 . . . B 408 GLU HG3 . 19738 1 898 . 2 2 76 76 GLU CA C 13 59.2650 . . 1 . . . B 408 GLU CA . 19738 1 899 . 2 2 76 76 GLU CB C 13 29.0760 . . 1 . . . B 408 GLU CB . 19738 1 900 . 2 2 76 76 GLU CG C 13 36.8970 . . 1 . . . B 408 GLU CG . 19738 1 901 . 2 2 76 76 GLU N N 15 121.0540 . . 1 . . . B 408 GLU N . 19738 1 902 . 2 2 77 77 ALA H H 1 7.8230 . . 1 . . . B 409 ALA H . 19738 1 903 . 2 2 77 77 ALA HA H 1 4.3890 . . 1 . . . B 409 ALA HA . 19738 1 904 . 2 2 77 77 ALA HB1 H 1 1.4770 . . 1 . . . B 409 ALA HB1 . 19738 1 905 . 2 2 77 77 ALA HB2 H 1 1.4770 . . 1 . . . B 409 ALA HB2 . 19738 1 906 . 2 2 77 77 ALA HB3 H 1 1.4770 . . 1 . . . B 409 ALA HB3 . 19738 1 907 . 2 2 77 77 ALA CA C 13 51.7350 . . 1 . . . B 409 ALA CA . 19738 1 908 . 2 2 77 77 ALA CB C 13 18.8240 . . 1 . . . B 409 ALA CB . 19738 1 909 . 2 2 77 77 ALA N N 15 119.7250 . . 1 . . . B 409 ALA N . 19738 1 910 . 2 2 78 78 ARG H H 1 7.8750 . . 1 . . . B 410 ARG H . 19738 1 911 . 2 2 78 78 ARG HA H 1 4.2840 . . 1 . . . B 410 ARG HA . 19738 1 912 . 2 2 78 78 ARG HB2 H 1 1.9890 . . 2 . . . B 410 ARG HB2 . 19738 1 913 . 2 2 78 78 ARG HB3 H 1 2.1220 . . 2 . . . B 410 ARG HB3 . 19738 1 914 . 2 2 78 78 ARG HG3 H 1 1.5870 . . 2 . . . B 410 ARG HG3 . 19738 1 915 . 2 2 78 78 ARG HD2 H 1 3.2300 . . 2 . . . B 410 ARG HD2 . 19738 1 916 . 2 2 78 78 ARG HD3 H 1 3.2240 . . 2 . . . B 410 ARG HD3 . 19738 1 917 . 2 2 78 78 ARG CA C 13 56.7300 . . 1 . . . B 410 ARG CA . 19738 1 918 . 2 2 78 78 ARG CB C 13 25.9160 . . 1 . . . B 410 ARG CB . 19738 1 919 . 2 2 78 78 ARG CG C 13 27.5860 . . 1 . . . B 410 ARG CG . 19738 1 920 . 2 2 78 78 ARG CD C 13 43.4590 . . 1 . . . B 410 ARG CD . 19738 1 921 . 2 2 78 78 ARG N N 15 114.6920 . . 1 . . . B 410 ARG N . 19738 1 922 . 2 2 79 79 GLU H H 1 8.4290 . . 1 . . . B 411 GLU H . 19738 1 923 . 2 2 79 79 GLU HA H 1 4.0520 . . 1 . . . B 411 GLU HA . 19738 1 924 . 2 2 79 79 GLU HB2 H 1 1.3890 . . 2 . . . B 411 GLU HB2 . 19738 1 925 . 2 2 79 79 GLU HB3 H 1 1.8610 . . 2 . . . B 411 GLU HB3 . 19738 1 926 . 2 2 79 79 GLU HG2 H 1 2.0080 . . 2 . . . B 411 GLU HG2 . 19738 1 927 . 2 2 79 79 GLU HG3 H 1 2.1530 . . 2 . . . B 411 GLU HG3 . 19738 1 928 . 2 2 79 79 GLU CA C 13 57.7120 . . 1 . . . B 411 GLU CA . 19738 1 929 . 2 2 79 79 GLU CB C 13 30.1250 . . 1 . . . B 411 GLU CB . 19738 1 930 . 2 2 79 79 GLU CG C 13 37.1620 . . 1 . . . B 411 GLU CG . 19738 1 931 . 2 2 79 79 GLU N N 15 115.3660 . . 1 . . . B 411 GLU N . 19738 1 932 . 2 2 80 80 TYR H H 1 7.2880 . . 1 . . . B 412 TYR H . 19738 1 933 . 2 2 80 80 TYR HA H 1 4.9510 . . 1 . . . B 412 TYR HA . 19738 1 934 . 2 2 80 80 TYR HB2 H 1 2.9200 . . 2 . . . B 412 TYR HB2 . 19738 1 935 . 2 2 80 80 TYR HB3 H 1 3.1800 . . 2 . . . B 412 TYR HB3 . 19738 1 936 . 2 2 80 80 TYR HD1 H 1 7.0890 . . 3 . . . B 412 TYR HD1 . 19738 1 937 . 2 2 80 80 TYR HE1 H 1 7.0610 . . 3 . . . B 412 TYR HE1 . 19738 1 938 . 2 2 80 80 TYR CA C 13 56.9700 . . 1 . . . B 412 TYR CA . 19738 1 939 . 2 2 80 80 TYR CB C 13 38.5660 . . 1 . . . B 412 TYR CB . 19738 1 940 . 2 2 80 80 TYR CD1 C 13 131.8490 . . 1 . . . B 412 TYR CD1 . 19738 1 941 . 2 2 80 80 TYR CE1 C 13 118.4920 . . 1 . . . B 412 TYR CE1 . 19738 1 942 . 2 2 80 80 TYR N N 15 115.8150 . . 1 . . . B 412 TYR N . 19738 1 943 . 2 2 81 81 ARG H H 1 9.5970 . . 1 . . . B 413 ARG H . 19738 1 944 . 2 2 81 81 ARG HA H 1 4.1510 . . 1 . . . B 413 ARG HA . 19738 1 945 . 2 2 81 81 ARG HB3 H 1 1.8280 . . 2 . . . B 413 ARG HB3 . 19738 1 946 . 2 2 81 81 ARG HG2 H 1 1.7080 . . 2 . . . B 413 ARG HG2 . 19738 1 947 . 2 2 81 81 ARG HG3 H 1 1.8470 . . 2 . . . B 413 ARG HG3 . 19738 1 948 . 2 2 81 81 ARG HD3 H 1 3.2520 . . 2 . . . B 413 ARG HD3 . 19738 1 949 . 2 2 81 81 ARG CA C 13 57.4650 . . 1 . . . B 413 ARG CA . 19738 1 950 . 2 2 81 81 ARG CB C 13 30.8750 . . 1 . . . B 413 ARG CB . 19738 1 951 . 2 2 81 81 ARG CG C 13 27.7000 . . 1 . . . B 413 ARG CG . 19738 1 952 . 2 2 81 81 ARG CD C 13 43.0620 . . 1 . . . B 413 ARG CD . 19738 1 953 . 2 2 81 81 ARG N N 15 123.5650 . . 1 . . . B 413 ARG N . 19738 1 954 . 2 2 82 82 ASP H H 1 7.4980 . . 1 . . . B 414 ASP H . 19738 1 955 . 2 2 82 82 ASP HA H 1 4.4120 . . 1 . . . B 414 ASP HA . 19738 1 956 . 2 2 82 82 ASP HB2 H 1 3.0480 . . 2 . . . B 414 ASP HB2 . 19738 1 957 . 2 2 82 82 ASP HB3 H 1 3.2220 . . 2 . . . B 414 ASP HB3 . 19738 1 958 . 2 2 82 82 ASP CA C 13 52.5960 . . 1 . . . B 414 ASP CA . 19738 1 959 . 2 2 82 82 ASP CB C 13 42.2870 . . 1 . . . B 414 ASP CB . 19738 1 960 . 2 2 82 82 ASP N N 15 110.7000 . . 1 . . . B 414 ASP N . 19738 1 961 . 2 2 83 83 ALA H H 1 9.0270 . . 1 . . . B 415 ALA H . 19738 1 962 . 2 2 83 83 ALA HA H 1 4.3570 . . 1 . . . B 415 ALA HA . 19738 1 963 . 2 2 83 83 ALA HB1 H 1 1.3900 . . 1 . . . B 415 ALA HB1 . 19738 1 964 . 2 2 83 83 ALA HB2 H 1 1.3900 . . 1 . . . B 415 ALA HB2 . 19738 1 965 . 2 2 83 83 ALA HB3 H 1 1.3900 . . 1 . . . B 415 ALA HB3 . 19738 1 966 . 2 2 83 83 ALA CA C 13 54.4930 . . 1 . . . B 415 ALA CA . 19738 1 967 . 2 2 83 83 ALA CB C 13 19.9220 . . 1 . . . B 415 ALA CB . 19738 1 968 . 2 2 83 83 ALA N N 15 118.9140 . . 1 . . . B 415 ALA N . 19738 1 969 . 2 2 84 84 GLN H H 1 8.4570 . . 1 . . . B 416 GLN H . 19738 1 970 . 2 2 84 84 GLN HA H 1 4.2620 . . 1 . . . B 416 GLN HA . 19738 1 971 . 2 2 84 84 GLN HB2 H 1 2.2740 . . 2 . . . B 416 GLN HB2 . 19738 1 972 . 2 2 84 84 GLN HB3 H 1 2.3370 . . 2 . . . B 416 GLN HB3 . 19738 1 973 . 2 2 84 84 GLN HG3 H 1 2.5460 . . 2 . . . B 416 GLN HG3 . 19738 1 974 . 2 2 84 84 GLN HE21 H 1 7.7230 . . 2 . . . B 416 GLN HE21 . 19738 1 975 . 2 2 84 84 GLN HE22 H 1 6.9060 . . 2 . . . B 416 GLN HE22 . 19738 1 976 . 2 2 84 84 GLN CA C 13 59.2290 . . 1 . . . B 416 GLN CA . 19738 1 977 . 2 2 84 84 GLN CB C 13 27.1030 . . 1 . . . B 416 GLN CB . 19738 1 978 . 2 2 84 84 GLN CG C 13 34.0960 . . 1 . . . B 416 GLN CG . 19738 1 979 . 2 2 84 84 GLN N N 15 118.3250 . . 1 . . . B 416 GLN N . 19738 1 980 . 2 2 84 84 GLN NE2 N 15 113.4660 . . 1 . . . B 416 GLN NE2 . 19738 1 981 . 2 2 85 85 GLU H H 1 8.3740 . . 1 . . . B 417 GLU H . 19738 1 982 . 2 2 85 85 GLU HA H 1 4.0990 . . 1 . . . B 417 GLU HA . 19738 1 983 . 2 2 85 85 GLU HB3 H 1 2.3820 . . 2 . . . B 417 GLU HB3 . 19738 1 984 . 2 2 85 85 GLU HG2 H 1 2.3900 . . 2 . . . B 417 GLU HG2 . 19738 1 985 . 2 2 85 85 GLU HG3 H 1 2.8370 . . 2 . . . B 417 GLU HG3 . 19738 1 986 . 2 2 85 85 GLU CA C 13 59.5650 . . 1 . . . B 417 GLU CA . 19738 1 987 . 2 2 85 85 GLU CB C 13 30.8540 . . 1 . . . B 417 GLU CB . 19738 1 988 . 2 2 85 85 GLU CG C 13 37.3210 . . 1 . . . B 417 GLU CG . 19738 1 989 . 2 2 85 85 GLU N N 15 122.0160 . . 1 . . . B 417 GLU N . 19738 1 990 . 2 2 86 86 PHE H H 1 6.8180 . . 1 . . . B 418 PHE H . 19738 1 991 . 2 2 86 86 PHE HA H 1 3.1120 . . 1 . . . B 418 PHE HA . 19738 1 992 . 2 2 86 86 PHE HB2 H 1 2.2860 . . 2 . . . B 418 PHE HB2 . 19738 1 993 . 2 2 86 86 PHE HB3 H 1 3.1600 . . 2 . . . B 418 PHE HB3 . 19738 1 994 . 2 2 86 86 PHE HD1 H 1 7.1470 . . 3 . . . B 418 PHE HD1 . 19738 1 995 . 2 2 86 86 PHE HE1 H 1 7.0700 . . 3 . . . B 418 PHE HE1 . 19738 1 996 . 2 2 86 86 PHE HZ H 1 7.1750 . . 1 . . . B 418 PHE HZ . 19738 1 997 . 2 2 86 86 PHE CA C 13 60.2020 . . 1 . . . B 418 PHE CA . 19738 1 998 . 2 2 86 86 PHE CB C 13 38.5190 . . 1 . . . B 418 PHE CB . 19738 1 999 . 2 2 86 86 PHE CD1 C 13 133.1590 . . 1 . . . B 418 PHE CD1 . 19738 1 1000 . 2 2 86 86 PHE CE1 C 13 132.5000 . . 1 . . . B 418 PHE CE1 . 19738 1 1001 . 2 2 86 86 PHE CZ C 13 130.1390 . . 1 . . . B 418 PHE CZ . 19738 1 1002 . 2 2 86 86 PHE N N 15 120.8280 . . 1 . . . B 418 PHE N . 19738 1 1003 . 2 2 87 87 GLY H H 1 8.8650 . . 1 . . . B 419 GLY H . 19738 1 1004 . 2 2 87 87 GLY HA2 H 1 2.9300 . . 2 . . . B 419 GLY HA2 . 19738 1 1005 . 2 2 87 87 GLY HA3 H 1 3.5040 . . 2 . . . B 419 GLY HA3 . 19738 1 1006 . 2 2 87 87 GLY CA C 13 47.0210 . . 1 . . . B 419 GLY CA . 19738 1 1007 . 2 2 87 87 GLY N N 15 106.6310 . . 1 . . . B 419 GLY N . 19738 1 1008 . 2 2 88 88 ALA H H 1 7.9740 . . 1 . . . B 420 ALA H . 19738 1 1009 . 2 2 88 88 ALA HA H 1 4.0810 . . 1 . . . B 420 ALA HA . 19738 1 1010 . 2 2 88 88 ALA HB1 H 1 1.4820 . . 1 . . . B 420 ALA HB1 . 19738 1 1011 . 2 2 88 88 ALA HB2 H 1 1.4820 . . 1 . . . B 420 ALA HB2 . 19738 1 1012 . 2 2 88 88 ALA HB3 H 1 1.4820 . . 1 . . . B 420 ALA HB3 . 19738 1 1013 . 2 2 88 88 ALA CA C 13 54.7310 . . 1 . . . B 420 ALA CA . 19738 1 1014 . 2 2 88 88 ALA CB C 13 17.6700 . . 1 . . . B 420 ALA CB . 19738 1 1015 . 2 2 88 88 ALA N N 15 121.7220 . . 1 . . . B 420 ALA N . 19738 1 1016 . 2 2 89 89 ASP H H 1 7.1100 . . 1 . . . B 421 ASP H . 19738 1 1017 . 2 2 89 89 ASP HA H 1 4.6060 . . 1 . . . B 421 ASP HA . 19738 1 1018 . 2 2 89 89 ASP HB2 H 1 2.5110 . . 2 . . . B 421 ASP HB2 . 19738 1 1019 . 2 2 89 89 ASP HB3 H 1 2.6890 . . 2 . . . B 421 ASP HB3 . 19738 1 1020 . 2 2 89 89 ASP CA C 13 56.7190 . . 1 . . . B 421 ASP CA . 19738 1 1021 . 2 2 89 89 ASP CB C 13 39.5610 . . 1 . . . B 421 ASP CB . 19738 1 1022 . 2 2 89 89 ASP N N 15 120.6860 . . 1 . . . B 421 ASP N . 19738 1 1023 . 2 2 90 90 VAL H H 1 7.2260 . . 1 . . . B 422 VAL H . 19738 1 1024 . 2 2 90 90 VAL HA H 1 2.6090 . . 1 . . . B 422 VAL HA . 19738 1 1025 . 2 2 90 90 VAL HB H 1 0.7830 . . 1 . . . B 422 VAL HB . 19738 1 1026 . 2 2 90 90 VAL HG11 H 1 -0.6650 . . 2 . . . B 422 VAL HG11 . 19738 1 1027 . 2 2 90 90 VAL HG12 H 1 -0.6650 . . 2 . . . B 422 VAL HG12 . 19738 1 1028 . 2 2 90 90 VAL HG13 H 1 -0.6650 . . 2 . . . B 422 VAL HG13 . 19738 1 1029 . 2 2 90 90 VAL HG21 H 1 -0.2660 . . 2 . . . B 422 VAL HG21 . 19738 1 1030 . 2 2 90 90 VAL HG22 H 1 -0.2660 . . 2 . . . B 422 VAL HG22 . 19738 1 1031 . 2 2 90 90 VAL HG23 H 1 -0.2660 . . 2 . . . B 422 VAL HG23 . 19738 1 1032 . 2 2 90 90 VAL CA C 13 66.4120 . . 1 . . . B 422 VAL CA . 19738 1 1033 . 2 2 90 90 VAL CB C 13 30.8680 . . 1 . . . B 422 VAL CB . 19738 1 1034 . 2 2 90 90 VAL CG1 C 13 21.1640 . . 1 . . . B 422 VAL CG1 . 19738 1 1035 . 2 2 90 90 VAL CG2 C 13 20.9470 . . 1 . . . B 422 VAL CG2 . 19738 1 1036 . 2 2 90 90 VAL N N 15 120.1180 . . 1 . . . B 422 VAL N . 19738 1 1037 . 2 2 91 91 ARG H H 1 8.0300 . . 1 . . . B 423 ARG H . 19738 1 1038 . 2 2 91 91 ARG HA H 1 3.7780 . . 1 . . . B 423 ARG HA . 19738 1 1039 . 2 2 91 91 ARG HB2 H 1 1.5350 . . 2 . . . B 423 ARG HB2 . 19738 1 1040 . 2 2 91 91 ARG HB3 H 1 1.7850 . . 2 . . . B 423 ARG HB3 . 19738 1 1041 . 2 2 91 91 ARG HG2 H 1 1.6140 . . 2 . . . B 423 ARG HG2 . 19738 1 1042 . 2 2 91 91 ARG HG3 H 1 1.8620 . . 2 . . . B 423 ARG HG3 . 19738 1 1043 . 2 2 91 91 ARG HD3 H 1 3.0500 . . 2 . . . B 423 ARG HD3 . 19738 1 1044 . 2 2 91 91 ARG CA C 13 60.6950 . . 1 . . . B 423 ARG CA . 19738 1 1045 . 2 2 91 91 ARG CB C 13 29.8000 . . 1 . . . B 423 ARG CB . 19738 1 1046 . 2 2 91 91 ARG CG C 13 29.3800 . . 1 . . . B 423 ARG CG . 19738 1 1047 . 2 2 91 91 ARG CD C 13 43.0420 . . 1 . . . B 423 ARG CD . 19738 1 1048 . 2 2 91 91 ARG N N 15 115.3860 . . 1 . . . B 423 ARG N . 19738 1 1049 . 2 2 92 92 LEU H H 1 7.8400 . . 1 . . . B 424 LEU H . 19738 1 1050 . 2 2 92 92 LEU HA H 1 4.0810 . . 1 . . . B 424 LEU HA . 19738 1 1051 . 2 2 92 92 LEU HB2 H 1 2.0940 . . 2 . . . B 424 LEU HB2 . 19738 1 1052 . 2 2 92 92 LEU HB3 H 1 1.5950 . . 2 . . . B 424 LEU HB3 . 19738 1 1053 . 2 2 92 92 LEU HG H 1 1.3860 . . 1 . . . B 424 LEU HG . 19738 1 1054 . 2 2 92 92 LEU HD11 H 1 0.8460 . . 2 . . . B 424 LEU HD11 . 19738 1 1055 . 2 2 92 92 LEU HD12 H 1 0.8460 . . 2 . . . B 424 LEU HD12 . 19738 1 1056 . 2 2 92 92 LEU HD13 H 1 0.8460 . . 2 . . . B 424 LEU HD13 . 19738 1 1057 . 2 2 92 92 LEU HD21 H 1 0.9910 . . 2 . . . B 424 LEU HD21 . 19738 1 1058 . 2 2 92 92 LEU HD22 H 1 0.9910 . . 2 . . . B 424 LEU HD22 . 19738 1 1059 . 2 2 92 92 LEU HD23 H 1 0.9910 . . 2 . . . B 424 LEU HD23 . 19738 1 1060 . 2 2 92 92 LEU CA C 13 57.7260 . . 1 . . . B 424 LEU CA . 19738 1 1061 . 2 2 92 92 LEU CB C 13 42.2790 . . 1 . . . B 424 LEU CB . 19738 1 1062 . 2 2 92 92 LEU CG C 13 27.3450 . . 1 . . . B 424 LEU CG . 19738 1 1063 . 2 2 92 92 LEU CD1 C 13 25.8680 . . 1 . . . B 424 LEU CD1 . 19738 1 1064 . 2 2 92 92 LEU CD2 C 13 22.9370 . . 1 . . . B 424 LEU CD2 . 19738 1 1065 . 2 2 92 92 LEU N N 15 123.4900 . . 1 . . . B 424 LEU N . 19738 1 1066 . 2 2 93 93 MET H H 1 7.2620 . . 1 . . . B 425 MET H . 19738 1 1067 . 2 2 93 93 MET HA H 1 3.5630 . . 1 . . . B 425 MET HA . 19738 1 1068 . 2 2 93 93 MET HB2 H 1 1.2130 . . 2 . . . B 425 MET HB2 . 19738 1 1069 . 2 2 93 93 MET HB3 H 1 2.1040 . . 2 . . . B 425 MET HB3 . 19738 1 1070 . 2 2 93 93 MET HG2 H 1 1.4290 . . 2 . . . B 425 MET HG2 . 19738 1 1071 . 2 2 93 93 MET HG3 H 1 2.4250 . . 2 . . . B 425 MET HG3 . 19738 1 1072 . 2 2 93 93 MET HE1 H 1 0.8490 . . 1 . . . B 425 MET HE1 . 19738 1 1073 . 2 2 93 93 MET HE2 H 1 0.8490 . . 1 . . . B 425 MET HE2 . 19738 1 1074 . 2 2 93 93 MET HE3 H 1 0.8490 . . 1 . . . B 425 MET HE3 . 19738 1 1075 . 2 2 93 93 MET CA C 13 59.6960 . . 1 . . . B 425 MET CA . 19738 1 1076 . 2 2 93 93 MET CB C 13 33.4860 . . 1 . . . B 425 MET CB . 19738 1 1077 . 2 2 93 93 MET CG C 13 30.6080 . . 1 . . . B 425 MET CG . 19738 1 1078 . 2 2 93 93 MET CE C 13 15.6830 . . 1 . . . B 425 MET CE . 19738 1 1079 . 2 2 93 93 MET N N 15 117.7260 . . 1 . . . B 425 MET N . 19738 1 1080 . 2 2 94 94 PHE H H 1 6.9930 . . 1 . . . B 426 PHE H . 19738 1 1081 . 2 2 94 94 PHE HA H 1 3.8800 . . 1 . . . B 426 PHE HA . 19738 1 1082 . 2 2 94 94 PHE HB2 H 1 2.6140 . . 2 . . . B 426 PHE HB2 . 19738 1 1083 . 2 2 94 94 PHE HB3 H 1 2.8540 . . 2 . . . B 426 PHE HB3 . 19738 1 1084 . 2 2 94 94 PHE HD1 H 1 6.5690 . . 3 . . . B 426 PHE HD1 . 19738 1 1085 . 2 2 94 94 PHE HE1 H 1 6.3880 . . 3 . . . B 426 PHE HE1 . 19738 1 1086 . 2 2 94 94 PHE HZ H 1 6.3000 . . 1 . . . B 426 PHE HZ . 19738 1 1087 . 2 2 94 94 PHE CA C 13 60.5710 . . 1 . . . B 426 PHE CA . 19738 1 1088 . 2 2 94 94 PHE CB C 13 37.3000 . . 1 . . . B 426 PHE CB . 19738 1 1089 . 2 2 94 94 PHE CD1 C 13 130.7860 . . 1 . . . B 426 PHE CD1 . 19738 1 1090 . 2 2 94 94 PHE CE1 C 13 130.3550 . . 1 . . . B 426 PHE CE1 . 19738 1 1091 . 2 2 94 94 PHE CZ C 13 127.3350 . . 1 . . . B 426 PHE CZ . 19738 1 1092 . 2 2 94 94 PHE N N 15 117.1530 . . 1 . . . B 426 PHE N . 19738 1 1093 . 2 2 95 95 SER H H 1 9.0700 . . 1 . . . B 427 SER H . 19738 1 1094 . 2 2 95 95 SER HA H 1 4.0470 . . 1 . . . B 427 SER HA . 19738 1 1095 . 2 2 95 95 SER HB3 H 1 4.1500 . . 2 . . . B 427 SER HB3 . 19738 1 1096 . 2 2 95 95 SER CA C 13 60.2000 . . 1 . . . B 427 SER CA . 19738 1 1097 . 2 2 95 95 SER CB C 13 62.6000 . . 1 . . . B 427 SER CB . 19738 1 1098 . 2 2 95 95 SER N N 15 116.0770 . . 1 . . . B 427 SER N . 19738 1 1099 . 2 2 96 96 ASN H H 1 8.8060 . . 1 . . . B 428 ASN H . 19738 1 1100 . 2 2 96 96 ASN HA H 1 4.3700 . . 1 . . . B 428 ASN HA . 19738 1 1101 . 2 2 96 96 ASN HB2 H 1 2.5510 . . 2 . . . B 428 ASN HB2 . 19738 1 1102 . 2 2 96 96 ASN HB3 H 1 2.9500 . . 2 . . . B 428 ASN HB3 . 19738 1 1103 . 2 2 96 96 ASN CA C 13 54.6860 . . 1 . . . B 428 ASN CA . 19738 1 1104 . 2 2 96 96 ASN CB C 13 38.0690 . . 1 . . . B 428 ASN CB . 19738 1 1105 . 2 2 96 96 ASN N N 15 119.3140 . . 1 . . . B 428 ASN N . 19738 1 1106 . 2 2 97 97 CYS H H 1 6.9560 . . 1 . . . B 429 CYS H . 19738 1 1107 . 2 2 97 97 CYS HA H 1 4.2040 . . 1 . . . B 429 CYS HA . 19738 1 1108 . 2 2 97 97 CYS HB2 H 1 3.0300 . . 2 . . . B 429 CYS HB2 . 19738 1 1109 . 2 2 97 97 CYS HB3 H 1 3.2000 . . 2 . . . B 429 CYS HB3 . 19738 1 1110 . 2 2 97 97 CYS CA C 13 62.1890 . . 1 . . . B 429 CYS CA . 19738 1 1111 . 2 2 97 97 CYS CB C 13 25.8340 . . 1 . . . B 429 CYS CB . 19738 1 1112 . 2 2 97 97 CYS N N 15 120.2450 . . 1 . . . B 429 CYS N . 19738 1 1113 . 2 2 98 98 TYR H H 1 7.9110 . . 1 . . . B 430 TYR H . 19738 1 1114 . 2 2 98 98 TYR HA H 1 4.1480 . . 1 . . . B 430 TYR HA . 19738 1 1115 . 2 2 98 98 TYR HB2 H 1 3.0200 . . 2 . . . B 430 TYR HB2 . 19738 1 1116 . 2 2 98 98 TYR HB3 H 1 3.4120 . . 2 . . . B 430 TYR HB3 . 19738 1 1117 . 2 2 98 98 TYR HD1 H 1 7.0330 . . 3 . . . B 430 TYR HD1 . 19738 1 1118 . 2 2 98 98 TYR HE1 H 1 6.9280 . . 3 . . . B 430 TYR HE1 . 19738 1 1119 . 2 2 98 98 TYR CA C 13 62.2000 . . 1 . . . B 430 TYR CA . 19738 1 1120 . 2 2 98 98 TYR CB C 13 37.0740 . . 1 . . . B 430 TYR CB . 19738 1 1121 . 2 2 98 98 TYR CD1 C 13 132.0800 . . 1 . . . B 430 TYR CD1 . 19738 1 1122 . 2 2 98 98 TYR CE1 C 13 118.0610 . . 1 . . . B 430 TYR CE1 . 19738 1 1123 . 2 2 98 98 TYR N N 15 117.3290 . . 1 . . . B 430 TYR N . 19738 1 1124 . 2 2 99 99 LYS H H 1 8.2600 . . 1 . . . B 431 LYS H . 19738 1 1125 . 2 2 99 99 LYS HA H 1 3.9770 . . 1 . . . B 431 LYS HA . 19738 1 1126 . 2 2 99 99 LYS HB2 H 1 1.9000 . . 2 . . . B 431 LYS HB2 . 19738 1 1127 . 2 2 99 99 LYS HB3 H 1 2.0000 . . 2 . . . B 431 LYS HB3 . 19738 1 1128 . 2 2 99 99 LYS HG3 H 1 1.4110 . . 2 . . . B 431 LYS HG3 . 19738 1 1129 . 2 2 99 99 LYS HD3 H 1 1.5800 . . 2 . . . B 431 LYS HD3 . 19738 1 1130 . 2 2 99 99 LYS HE2 H 1 3.0100 . . 2 . . . B 431 LYS HE2 . 19738 1 1131 . 2 2 99 99 LYS HE3 H 1 3.0700 . . 2 . . . B 431 LYS HE3 . 19738 1 1132 . 2 2 99 99 LYS CA C 13 57.7000 . . 1 . . . B 431 LYS CA . 19738 1 1133 . 2 2 99 99 LYS CB C 13 33.0500 . . 1 . . . B 431 LYS CB . 19738 1 1134 . 2 2 99 99 LYS CG C 13 25.1300 . . 1 . . . B 431 LYS CG . 19738 1 1135 . 2 2 99 99 LYS CD C 13 28.1200 . . 1 . . . B 431 LYS CD . 19738 1 1136 . 2 2 99 99 LYS CE C 13 41.7800 . . 1 . . . B 431 LYS CE . 19738 1 1137 . 2 2 99 99 LYS N N 15 116.7130 . . 1 . . . B 431 LYS N . 19738 1 1138 . 2 2 100 100 TYR H H 1 8.3160 . . 1 . . . B 432 TYR H . 19738 1 1139 . 2 2 100 100 TYR HA H 1 4.0500 . . 1 . . . B 432 TYR HA . 19738 1 1140 . 2 2 100 100 TYR HB2 H 1 2.8500 . . 2 . . . B 432 TYR HB2 . 19738 1 1141 . 2 2 100 100 TYR HB3 H 1 2.9130 . . 2 . . . B 432 TYR HB3 . 19738 1 1142 . 2 2 100 100 TYR HD2 H 1 6.8920 . . 3 . . . B 432 TYR HD2 . 19738 1 1143 . 2 2 100 100 TYR HE2 H 1 6.6700 . . 3 . . . B 432 TYR HE2 . 19738 1 1144 . 2 2 100 100 TYR CA C 13 62.2390 . . 1 . . . B 432 TYR CA . 19738 1 1145 . 2 2 100 100 TYR CB C 13 40.3070 . . 1 . . . B 432 TYR CB . 19738 1 1146 . 2 2 100 100 TYR CD2 C 13 132.8800 . . 1 . . . B 432 TYR CD2 . 19738 1 1147 . 2 2 100 100 TYR CE2 C 13 118.2760 . . 1 . . . B 432 TYR CE2 . 19738 1 1148 . 2 2 100 100 TYR N N 15 116.5370 . . 1 . . . B 432 TYR N . 19738 1 1149 . 2 2 101 101 ASN H H 1 7.4780 . . 1 . . . B 433 ASN H . 19738 1 1150 . 2 2 101 101 ASN HA H 1 4.7070 . . 1 . . . B 433 ASN HA . 19738 1 1151 . 2 2 101 101 ASN HB2 H 1 2.1260 . . 2 . . . B 433 ASN HB2 . 19738 1 1152 . 2 2 101 101 ASN HB3 H 1 2.6090 . . 2 . . . B 433 ASN HB3 . 19738 1 1153 . 2 2 101 101 ASN CA C 13 51.9960 . . 1 . . . B 433 ASN CA . 19738 1 1154 . 2 2 101 101 ASN CB C 13 40.7000 . . 1 . . . B 433 ASN CB . 19738 1 1155 . 2 2 101 101 ASN N N 15 112.9840 . . 1 . . . B 433 ASN N . 19738 1 1156 . 2 2 102 102 PRO HA H 1 4.7820 . . 1 . . . B 434 PRO HA . 19738 1 1157 . 2 2 102 102 PRO HB2 H 1 2.1600 . . 2 . . . B 434 PRO HB2 . 19738 1 1158 . 2 2 102 102 PRO HB3 H 1 2.5070 . . 2 . . . B 434 PRO HB3 . 19738 1 1159 . 2 2 102 102 PRO HG3 H 1 2.2100 . . 2 . . . B 434 PRO HG3 . 19738 1 1160 . 2 2 102 102 PRO HD2 H 1 3.5300 . . 2 . . . B 434 PRO HD2 . 19738 1 1161 . 2 2 102 102 PRO HD3 H 1 3.8500 . . 2 . . . B 434 PRO HD3 . 19738 1 1162 . 2 2 102 102 PRO CA C 13 61.6970 . . 1 . . . B 434 PRO CA . 19738 1 1163 . 2 2 102 102 PRO CB C 13 30.8000 . . 1 . . . B 434 PRO CB . 19738 1 1164 . 2 2 102 102 PRO CG C 13 27.6550 . . 1 . . . B 434 PRO CG . 19738 1 1165 . 2 2 102 102 PRO CD C 13 50.2600 . . 1 . . . B 434 PRO CD . 19738 1 1166 . 2 2 103 103 PRO HA H 1 4.4130 . . 1 . . . B 435 PRO HA . 19738 1 1167 . 2 2 103 103 PRO HB2 H 1 2.0300 . . 2 . . . B 435 PRO HB2 . 19738 1 1168 . 2 2 103 103 PRO HB3 H 1 2.3970 . . 2 . . . B 435 PRO HB3 . 19738 1 1169 . 2 2 103 103 PRO HG2 H 1 2.0830 . . 2 . . . B 435 PRO HG2 . 19738 1 1170 . 2 2 103 103 PRO HG3 H 1 2.1300 . . 2 . . . B 435 PRO HG3 . 19738 1 1171 . 2 2 103 103 PRO HD3 H 1 3.8300 . . 2 . . . B 435 PRO HD3 . 19738 1 1172 . 2 2 103 103 PRO CA C 13 64.6630 . . 1 . . . B 435 PRO CA . 19738 1 1173 . 2 2 103 103 PRO CB C 13 31.6210 . . 1 . . . B 435 PRO CB . 19738 1 1174 . 2 2 103 103 PRO CG C 13 27.6550 . . 1 . . . B 435 PRO CG . 19738 1 1175 . 2 2 103 103 PRO CD C 13 50.5020 . . 1 . . . B 435 PRO CD . 19738 1 1176 . 2 2 104 104 ASP H H 1 8.2210 . . 1 . . . B 436 ASP H . 19738 1 1177 . 2 2 104 104 ASP HA H 1 4.6240 . . 1 . . . B 436 ASP HA . 19738 1 1178 . 2 2 104 104 ASP HB2 H 1 2.6300 . . 2 . . . B 436 ASP HB2 . 19738 1 1179 . 2 2 104 104 ASP HB3 H 1 2.8730 . . 2 . . . B 436 ASP HB3 . 19738 1 1180 . 2 2 104 104 ASP CA C 13 52.5030 . . 1 . . . B 436 ASP CA . 19738 1 1181 . 2 2 104 104 ASP CB C 13 39.8270 . . 1 . . . B 436 ASP CB . 19738 1 1182 . 2 2 104 104 ASP N N 15 113.8920 . . 1 . . . B 436 ASP N . 19738 1 1183 . 2 2 105 105 HIS H H 1 7.9890 . . 1 . . . B 437 HIS H . 19738 1 1184 . 2 2 105 105 HIS HA H 1 4.2720 . . 1 . . . B 437 HIS HA . 19738 1 1185 . 2 2 105 105 HIS HB2 H 1 3.0000 . . 2 . . . B 437 HIS HB2 . 19738 1 1186 . 2 2 105 105 HIS HB3 H 1 3.2700 . . 2 . . . B 437 HIS HB3 . 19738 1 1187 . 2 2 105 105 HIS HD2 H 1 7.2500 . . 1 . . . B 437 HIS HD2 . 19738 1 1188 . 2 2 105 105 HIS HE1 H 1 7.7700 . . 1 . . . B 437 HIS HE1 . 19738 1 1189 . 2 2 105 105 HIS CA C 13 58.4590 . . 1 . . . B 437 HIS CA . 19738 1 1190 . 2 2 105 105 HIS CB C 13 32.8220 . . 1 . . . B 437 HIS CB . 19738 1 1191 . 2 2 105 105 HIS CD2 C 13 118.0610 . . 1 . . . B 437 HIS CD2 . 19738 1 1192 . 2 2 105 105 HIS CE1 C 13 137.2500 . . 1 . . . B 437 HIS CE1 . 19738 1 1193 . 2 2 105 105 HIS N N 15 122.6720 . . 1 . . . B 437 HIS N . 19738 1 1194 . 2 2 106 106 GLU H H 1 9.1360 . . 1 . . . B 438 GLU H . 19738 1 1195 . 2 2 106 106 GLU HA H 1 4.2400 . . 1 . . . B 438 GLU HA . 19738 1 1196 . 2 2 106 106 GLU HB2 H 1 2.0900 . . 2 . . . B 438 GLU HB2 . 19738 1 1197 . 2 2 106 106 GLU HB3 H 1 2.1700 . . 2 . . . B 438 GLU HB3 . 19738 1 1198 . 2 2 106 106 GLU HG3 H 1 2.4350 . . 2 . . . B 438 GLU HG3 . 19738 1 1199 . 2 2 106 106 GLU CA C 13 59.9670 . . 1 . . . B 438 GLU CA . 19738 1 1200 . 2 2 106 106 GLU CB C 13 29.6370 . . 1 . . . B 438 GLU CB . 19738 1 1201 . 2 2 106 106 GLU CG C 13 35.8490 . . 1 . . . B 438 GLU CG . 19738 1 1202 . 2 2 106 106 GLU N N 15 112.3500 . . 1 . . . B 438 GLU N . 19738 1 1203 . 2 2 107 107 VAL H H 1 11.7200 . . 1 . . . B 439 VAL H . 19738 1 1204 . 2 2 107 107 VAL HA H 1 4.2200 . . 1 . . . B 439 VAL HA . 19738 1 1205 . 2 2 107 107 VAL HB H 1 2.1500 . . 1 . . . B 439 VAL HB . 19738 1 1206 . 2 2 107 107 VAL HG11 H 1 0.8900 . . 2 . . . B 439 VAL HG11 . 19738 1 1207 . 2 2 107 107 VAL HG12 H 1 0.8900 . . 2 . . . B 439 VAL HG12 . 19738 1 1208 . 2 2 107 107 VAL HG13 H 1 0.8900 . . 2 . . . B 439 VAL HG13 . 19738 1 1209 . 2 2 107 107 VAL HG21 H 1 0.7400 . . 2 . . . B 439 VAL HG21 . 19738 1 1210 . 2 2 107 107 VAL HG22 H 1 0.7400 . . 2 . . . B 439 VAL HG22 . 19738 1 1211 . 2 2 107 107 VAL HG23 H 1 0.7400 . . 2 . . . B 439 VAL HG23 . 19738 1 1212 . 2 2 107 107 VAL CA C 13 65.1730 . . 1 . . . B 439 VAL CA . 19738 1 1213 . 2 2 107 107 VAL CB C 13 31.6030 . . 1 . . . B 439 VAL CB . 19738 1 1214 . 2 2 107 107 VAL CG1 C 13 23.1010 . . 1 . . . B 439 VAL CG1 . 19738 1 1215 . 2 2 107 107 VAL CG2 C 13 21.4810 . . 1 . . . B 439 VAL CG2 . 19738 1 1216 . 2 2 107 107 VAL N N 15 123.7200 . . 1 . . . B 439 VAL N . 19738 1 1217 . 2 2 108 108 VAL H H 1 7.3540 . . 1 . . . B 440 VAL H . 19738 1 1218 . 2 2 108 108 VAL HA H 1 3.9100 . . 1 . . . B 440 VAL HA . 19738 1 1219 . 2 2 108 108 VAL HB H 1 2.4610 . . 1 . . . B 440 VAL HB . 19738 1 1220 . 2 2 108 108 VAL HG11 H 1 1.2500 . . 2 . . . B 440 VAL HG11 . 19738 1 1221 . 2 2 108 108 VAL HG12 H 1 1.2500 . . 2 . . . B 440 VAL HG12 . 19738 1 1222 . 2 2 108 108 VAL HG13 H 1 1.2500 . . 2 . . . B 440 VAL HG13 . 19738 1 1223 . 2 2 108 108 VAL HG21 H 1 1.1600 . . 2 . . . B 440 VAL HG21 . 19738 1 1224 . 2 2 108 108 VAL HG22 H 1 1.1600 . . 2 . . . B 440 VAL HG22 . 19738 1 1225 . 2 2 108 108 VAL HG23 H 1 1.1600 . . 2 . . . B 440 VAL HG23 . 19738 1 1226 . 2 2 108 108 VAL CA C 13 66.6520 . . 1 . . . B 440 VAL CA . 19738 1 1227 . 2 2 108 108 VAL CB C 13 31.6060 . . 1 . . . B 440 VAL CB . 19738 1 1228 . 2 2 108 108 VAL CG1 C 13 25.4080 . . 1 . . . B 440 VAL CG1 . 19738 1 1229 . 2 2 108 108 VAL CG2 C 13 21.4060 . . 1 . . . B 440 VAL CG2 . 19738 1 1230 . 2 2 108 108 VAL N N 15 122.6740 . . 1 . . . B 440 VAL N . 19738 1 1231 . 2 2 109 109 ALA H H 1 7.1500 . . 1 . . . B 441 ALA H . 19738 1 1232 . 2 2 109 109 ALA HA H 1 4.1830 . . 1 . . . B 441 ALA HA . 19738 1 1233 . 2 2 109 109 ALA HB1 H 1 1.5600 . . 1 . . . B 441 ALA HB1 . 19738 1 1234 . 2 2 109 109 ALA HB2 H 1 1.5600 . . 1 . . . B 441 ALA HB2 . 19738 1 1235 . 2 2 109 109 ALA HB3 H 1 1.5600 . . 1 . . . B 441 ALA HB3 . 19738 1 1236 . 2 2 109 109 ALA CA C 13 55.1120 . . 1 . . . B 441 ALA CA . 19738 1 1237 . 2 2 109 109 ALA CB C 13 17.6490 . . 1 . . . B 441 ALA CB . 19738 1 1238 . 2 2 109 109 ALA N N 15 121.8680 . . 1 . . . B 441 ALA N . 19738 1 1239 . 2 2 110 110 MET H H 1 7.9520 . . 1 . . . B 442 MET H . 19738 1 1240 . 2 2 110 110 MET HA H 1 4.0820 . . 1 . . . B 442 MET HA . 19738 1 1241 . 2 2 110 110 MET HB2 H 1 3.0700 . . 2 . . . B 442 MET HB2 . 19738 1 1242 . 2 2 110 110 MET HB3 H 1 3.3130 . . 2 . . . B 442 MET HB3 . 19738 1 1243 . 2 2 110 110 MET HG2 H 1 2.6900 . . 2 . . . B 442 MET HG2 . 19738 1 1244 . 2 2 110 110 MET HG3 H 1 3.0400 . . 2 . . . B 442 MET HG3 . 19738 1 1245 . 2 2 110 110 MET HE1 H 1 2.2150 . . 1 . . . B 442 MET HE1 . 19738 1 1246 . 2 2 110 110 MET HE2 H 1 2.2150 . . 1 . . . B 442 MET HE2 . 19738 1 1247 . 2 2 110 110 MET HE3 H 1 2.2150 . . 1 . . . B 442 MET HE3 . 19738 1 1248 . 2 2 110 110 MET CA C 13 60.4070 . . 1 . . . B 442 MET CA . 19738 1 1249 . 2 2 110 110 MET CB C 13 32.0000 . . 1 . . . B 442 MET CB . 19738 1 1250 . 2 2 110 110 MET CG C 13 33.4000 . . 1 . . . B 442 MET CG . 19738 1 1251 . 2 2 110 110 MET CE C 13 18.6590 . . 1 . . . B 442 MET CE . 19738 1 1252 . 2 2 110 110 MET N N 15 119.0620 . . 1 . . . B 442 MET N . 19738 1 1253 . 2 2 111 111 ALA H H 1 8.6090 . . 1 . . . B 443 ALA H . 19738 1 1254 . 2 2 111 111 ALA HA H 1 3.7070 . . 1 . . . B 443 ALA HA . 19738 1 1255 . 2 2 111 111 ALA HB1 H 1 1.8230 . . 1 . . . B 443 ALA HB1 . 19738 1 1256 . 2 2 111 111 ALA HB2 H 1 1.8230 . . 1 . . . B 443 ALA HB2 . 19738 1 1257 . 2 2 111 111 ALA HB3 H 1 1.8230 . . 1 . . . B 443 ALA HB3 . 19738 1 1258 . 2 2 111 111 ALA CA C 13 55.2260 . . 1 . . . B 443 ALA CA . 19738 1 1259 . 2 2 111 111 ALA CB C 13 19.8170 . . 1 . . . B 443 ALA CB . 19738 1 1260 . 2 2 111 111 ALA N N 15 121.2770 . . 1 . . . B 443 ALA N . 19738 1 1261 . 2 2 112 112 ARG H H 1 8.3000 . . 1 . . . B 444 ARG H . 19738 1 1262 . 2 2 112 112 ARG HA H 1 3.8770 . . 1 . . . B 444 ARG HA . 19738 1 1263 . 2 2 112 112 ARG HB2 H 1 1.7400 . . 2 . . . B 444 ARG HB2 . 19738 1 1264 . 2 2 112 112 ARG HB3 H 1 1.8010 . . 2 . . . B 444 ARG HB3 . 19738 1 1265 . 2 2 112 112 ARG HG3 H 1 1.5800 . . 2 . . . B 444 ARG HG3 . 19738 1 1266 . 2 2 112 112 ARG HD2 H 1 2.9200 . . 2 . . . B 444 ARG HD2 . 19738 1 1267 . 2 2 112 112 ARG HD3 H 1 3.0500 . . 2 . . . B 444 ARG HD3 . 19738 1 1268 . 2 2 112 112 ARG CA C 13 59.2000 . . 1 . . . B 444 ARG CA . 19738 1 1269 . 2 2 112 112 ARG CB C 13 30.1000 . . 1 . . . B 444 ARG CB . 19738 1 1270 . 2 2 112 112 ARG CD C 13 42.2900 . . 1 . . . B 444 ARG CD . 19738 1 1271 . 2 2 112 112 ARG N N 15 115.7340 . . 1 . . . B 444 ARG N . 19738 1 1272 . 2 2 113 113 LYS H H 1 7.3570 . . 1 . . . B 445 LYS H . 19738 1 1273 . 2 2 113 113 LYS HA H 1 3.8410 . . 1 . . . B 445 LYS HA . 19738 1 1274 . 2 2 113 113 LYS HB2 H 1 0.9400 . . 2 . . . B 445 LYS HB2 . 19738 1 1275 . 2 2 113 113 LYS HB3 H 1 1.5190 . . 2 . . . B 445 LYS HB3 . 19738 1 1276 . 2 2 113 113 LYS HG2 H 1 0.8490 . . 2 . . . B 445 LYS HG2 . 19738 1 1277 . 2 2 113 113 LYS HG3 H 1 1.2940 . . 2 . . . B 445 LYS HG3 . 19738 1 1278 . 2 2 113 113 LYS HD2 H 1 1.1370 . . 2 . . . B 445 LYS HD2 . 19738 1 1279 . 2 2 113 113 LYS HD3 H 1 1.2950 . . 2 . . . B 445 LYS HD3 . 19738 1 1280 . 2 2 113 113 LYS HE3 H 1 2.6950 . . 2 . . . B 445 LYS HE3 . 19738 1 1281 . 2 2 113 113 LYS CA C 13 59.0380 . . 1 . . . B 445 LYS CA . 19738 1 1282 . 2 2 113 113 LYS CB C 13 32.1260 . . 1 . . . B 445 LYS CB . 19738 1 1283 . 2 2 113 113 LYS CG C 13 25.3970 . . 1 . . . B 445 LYS CG . 19738 1 1284 . 2 2 113 113 LYS CD C 13 29.1450 . . 1 . . . B 445 LYS CD . 19738 1 1285 . 2 2 113 113 LYS CE C 13 41.5790 . . 1 . . . B 445 LYS CE . 19738 1 1286 . 2 2 113 113 LYS N N 15 118.6290 . . 1 . . . B 445 LYS N . 19738 1 1287 . 2 2 114 114 LEU H H 1 8.2430 . . 1 . . . B 446 LEU H . 19738 1 1288 . 2 2 114 114 LEU HA H 1 4.2230 . . 1 . . . B 446 LEU HA . 19738 1 1289 . 2 2 114 114 LEU HB2 H 1 1.5400 . . 2 . . . B 446 LEU HB2 . 19738 1 1290 . 2 2 114 114 LEU HB3 H 1 2.0100 . . 2 . . . B 446 LEU HB3 . 19738 1 1291 . 2 2 114 114 LEU HG H 1 1.7780 . . 1 . . . B 446 LEU HG . 19738 1 1292 . 2 2 114 114 LEU HD11 H 1 1.0400 . . 2 . . . B 446 LEU HD11 . 19738 1 1293 . 2 2 114 114 LEU HD12 H 1 1.0400 . . 2 . . . B 446 LEU HD12 . 19738 1 1294 . 2 2 114 114 LEU HD13 H 1 1.0400 . . 2 . . . B 446 LEU HD13 . 19738 1 1295 . 2 2 114 114 LEU HD21 H 1 1.1210 . . 2 . . . B 446 LEU HD21 . 19738 1 1296 . 2 2 114 114 LEU HD22 H 1 1.1210 . . 2 . . . B 446 LEU HD22 . 19738 1 1297 . 2 2 114 114 LEU HD23 H 1 1.1210 . . 2 . . . B 446 LEU HD23 . 19738 1 1298 . 2 2 114 114 LEU CA C 13 56.9670 . . 1 . . . B 446 LEU CA . 19738 1 1299 . 2 2 114 114 LEU CB C 13 42.0500 . . 1 . . . B 446 LEU CB . 19738 1 1300 . 2 2 114 114 LEU CG C 13 27.1270 . . 1 . . . B 446 LEU CG . 19738 1 1301 . 2 2 114 114 LEU CD1 C 13 26.6280 . . 1 . . . B 446 LEU CD1 . 19738 1 1302 . 2 2 114 114 LEU CD2 C 13 22.9080 . . 1 . . . B 446 LEU CD2 . 19738 1 1303 . 2 2 114 114 LEU N N 15 120.9050 . . 1 . . . B 446 LEU N . 19738 1 1304 . 2 2 115 115 GLN H H 1 9.2280 . . 1 . . . B 447 GLN H . 19738 1 1305 . 2 2 115 115 GLN HA H 1 3.3350 . . 1 . . . B 447 GLN HA . 19738 1 1306 . 2 2 115 115 GLN HB2 H 1 0.0650 . . 2 . . . B 447 GLN HB2 . 19738 1 1307 . 2 2 115 115 GLN HB3 H 1 1.5400 . . 2 . . . B 447 GLN HB3 . 19738 1 1308 . 2 2 115 115 GLN HG2 H 1 2.0440 . . 2 . . . B 447 GLN HG2 . 19738 1 1309 . 2 2 115 115 GLN HG3 H 1 2.5210 . . 2 . . . B 447 GLN HG3 . 19738 1 1310 . 2 2 115 115 GLN CA C 13 59.9510 . . 1 . . . B 447 GLN CA . 19738 1 1311 . 2 2 115 115 GLN CB C 13 25.1400 . . 1 . . . B 447 GLN CB . 19738 1 1312 . 2 2 115 115 GLN CG C 13 34.8300 . . 1 . . . B 447 GLN CG . 19738 1 1313 . 2 2 115 115 GLN N N 15 122.0160 . . 1 . . . B 447 GLN N . 19738 1 1314 . 2 2 116 116 ASP HA H 1 4.3040 . . 1 . . . B 448 ASP HA . 19738 1 1315 . 2 2 116 116 ASP HB2 H 1 2.4000 . . 2 . . . B 448 ASP HB2 . 19738 1 1316 . 2 2 116 116 ASP HB3 H 1 2.7900 . . 2 . . . B 448 ASP HB3 . 19738 1 1317 . 2 2 116 116 ASP CA C 13 57.7130 . . 1 . . . B 448 ASP CA . 19738 1 1318 . 2 2 116 116 ASP CB C 13 40.3000 . . 1 . . . B 448 ASP CB . 19738 1 1319 . 2 2 117 117 VAL H H 1 6.9970 . . 1 . . . B 449 VAL H . 19738 1 1320 . 2 2 117 117 VAL HA H 1 3.5670 . . 1 . . . B 449 VAL HA . 19738 1 1321 . 2 2 117 117 VAL HB H 1 2.3730 . . 1 . . . B 449 VAL HB . 19738 1 1322 . 2 2 117 117 VAL HG11 H 1 1.0720 . . 2 . . . B 449 VAL HG11 . 19738 1 1323 . 2 2 117 117 VAL HG12 H 1 1.0720 . . 2 . . . B 449 VAL HG12 . 19738 1 1324 . 2 2 117 117 VAL HG13 H 1 1.0720 . . 2 . . . B 449 VAL HG13 . 19738 1 1325 . 2 2 117 117 VAL HG21 H 1 0.6000 . . 2 . . . B 449 VAL HG21 . 19738 1 1326 . 2 2 117 117 VAL HG22 H 1 0.6000 . . 2 . . . B 449 VAL HG22 . 19738 1 1327 . 2 2 117 117 VAL HG23 H 1 0.6000 . . 2 . . . B 449 VAL HG23 . 19738 1 1328 . 2 2 117 117 VAL CA C 13 66.1530 . . 1 . . . B 449 VAL CA . 19738 1 1329 . 2 2 117 117 VAL CB C 13 31.6200 . . 1 . . . B 449 VAL CB . 19738 1 1330 . 2 2 117 117 VAL CG1 C 13 22.1690 . . 1 . . . B 449 VAL CG1 . 19738 1 1331 . 2 2 117 117 VAL CG2 C 13 19.7030 . . 1 . . . B 449 VAL CG2 . 19738 1 1332 . 2 2 117 117 VAL N N 15 118.9880 . . 1 . . . B 449 VAL N . 19738 1 1333 . 2 2 118 118 PHE H H 1 8.0940 . . 1 . . . B 450 PHE H . 19738 1 1334 . 2 2 118 118 PHE HA H 1 3.9870 . . 1 . . . B 450 PHE HA . 19738 1 1335 . 2 2 118 118 PHE HB2 H 1 3.1250 . . 2 . . . B 450 PHE HB2 . 19738 1 1336 . 2 2 118 118 PHE HB3 H 1 3.4500 . . 2 . . . B 450 PHE HB3 . 19738 1 1337 . 2 2 118 118 PHE HD1 H 1 7.1400 . . 3 . . . B 450 PHE HD1 . 19738 1 1338 . 2 2 118 118 PHE HE1 H 1 6.9600 . . 3 . . . B 450 PHE HE1 . 19738 1 1339 . 2 2 118 118 PHE HZ H 1 5.8600 . . 1 . . . B 450 PHE HZ . 19738 1 1340 . 2 2 118 118 PHE CA C 13 61.9410 . . 1 . . . B 450 PHE CA . 19738 1 1341 . 2 2 118 118 PHE CB C 13 38.8150 . . 1 . . . B 450 PHE CB . 19738 1 1342 . 2 2 118 118 PHE CD1 C 13 132.2640 . . 1 . . . B 450 PHE CD1 . 19738 1 1343 . 2 2 118 118 PHE CE1 C 13 130.7500 . . 1 . . . B 450 PHE CE1 . 19738 1 1344 . 2 2 118 118 PHE CZ C 13 129.7000 . . 1 . . . B 450 PHE CZ . 19738 1 1345 . 2 2 118 118 PHE N N 15 118.1650 . . 1 . . . B 450 PHE N . 19738 1 1346 . 2 2 119 119 GLU H H 1 9.6180 . . 1 . . . B 451 GLU H . 19738 1 1347 . 2 2 119 119 GLU HA H 1 3.6520 . . 1 . . . B 451 GLU HA . 19738 1 1348 . 2 2 119 119 GLU HB3 H 1 2.1550 . . 2 . . . B 451 GLU HB3 . 19738 1 1349 . 2 2 119 119 GLU HG2 H 1 2.5380 . . 2 . . . B 451 GLU HG2 . 19738 1 1350 . 2 2 119 119 GLU HG3 H 1 2.8180 . . 2 . . . B 451 GLU HG3 . 19738 1 1351 . 2 2 119 119 GLU CA C 13 58.4580 . . 1 . . . B 451 GLU CA . 19738 1 1352 . 2 2 119 119 GLU CG C 13 36.1000 . . 1 . . . B 451 GLU CG . 19738 1 1353 . 2 2 119 119 GLU N N 15 117.8740 . . 1 . . . B 451 GLU N . 19738 1 1354 . 2 2 120 120 MET HA H 1 4.7300 . . 1 . . . B 452 MET HA . 19738 1 1355 . 2 2 120 120 MET HB3 H 1 2.2800 . . 2 . . . B 452 MET HB3 . 19738 1 1356 . 2 2 120 120 MET HG2 H 1 2.1210 . . 2 . . . B 452 MET HG2 . 19738 1 1357 . 2 2 120 120 MET HG3 H 1 2.5570 . . 2 . . . B 452 MET HG3 . 19738 1 1358 . 2 2 120 120 MET HE1 H 1 2.0500 . . 1 . . . B 452 MET HE1 . 19738 1 1359 . 2 2 120 120 MET HE2 H 1 2.0500 . . 1 . . . B 452 MET HE2 . 19738 1 1360 . 2 2 120 120 MET HE3 H 1 2.0500 . . 1 . . . B 452 MET HE3 . 19738 1 1361 . 2 2 120 120 MET CA C 13 57.2000 . . 1 . . . B 452 MET CA . 19738 1 1362 . 2 2 120 120 MET CG C 13 31.8780 . . 1 . . . B 452 MET CG . 19738 1 1363 . 2 2 120 120 MET CE C 13 17.0110 . . 1 . . . B 452 MET CE . 19738 1 1364 . 2 2 121 121 ARG H H 1 7.3450 . . 1 . . . B 453 ARG H . 19738 1 1365 . 2 2 121 121 ARG HA H 1 4.0800 . . 1 . . . B 453 ARG HA . 19738 1 1366 . 2 2 121 121 ARG HB3 H 1 1.8620 . . 2 . . . B 453 ARG HB3 . 19738 1 1367 . 2 2 121 121 ARG HG2 H 1 1.6800 . . 2 . . . B 453 ARG HG2 . 19738 1 1368 . 2 2 121 121 ARG HG3 H 1 1.9030 . . 2 . . . B 453 ARG HG3 . 19738 1 1369 . 2 2 121 121 ARG HD2 H 1 3.1350 . . 2 . . . B 453 ARG HD2 . 19738 1 1370 . 2 2 121 121 ARG HD3 H 1 3.2770 . . 2 . . . B 453 ARG HD3 . 19738 1 1371 . 2 2 121 121 ARG CA C 13 57.2710 . . 1 . . . B 453 ARG CA . 19738 1 1372 . 2 2 121 121 ARG CB C 13 30.8570 . . 1 . . . B 453 ARG CB . 19738 1 1373 . 2 2 121 121 ARG CG C 13 27.1350 . . 1 . . . B 453 ARG CG . 19738 1 1374 . 2 2 121 121 ARG CD C 13 41.6960 . . 1 . . . B 453 ARG CD . 19738 1 1375 . 2 2 121 121 ARG N N 15 115.9580 . . 1 . . . B 453 ARG N . 19738 1 1376 . 2 2 122 122 PHE H H 1 9.2420 . . 1 . . . B 454 PHE H . 19738 1 1377 . 2 2 122 122 PHE HA H 1 3.9400 . . 1 . . . B 454 PHE HA . 19738 1 1378 . 2 2 122 122 PHE HB2 H 1 2.1400 . . 2 . . . B 454 PHE HB2 . 19738 1 1379 . 2 2 122 122 PHE HB3 H 1 2.3490 . . 2 . . . B 454 PHE HB3 . 19738 1 1380 . 2 2 122 122 PHE HD1 H 1 7.1480 . . 3 . . . B 454 PHE HD1 . 19738 1 1381 . 2 2 122 122 PHE HE1 H 1 7.5270 . . 3 . . . B 454 PHE HE1 . 19738 1 1382 . 2 2 122 122 PHE HZ H 1 7.2960 . . 1 . . . B 454 PHE HZ . 19738 1 1383 . 2 2 122 122 PHE CA C 13 60.6950 . . 1 . . . B 454 PHE CA . 19738 1 1384 . 2 2 122 122 PHE CB C 13 39.3160 . . 1 . . . B 454 PHE CB . 19738 1 1385 . 2 2 122 122 PHE CD1 C 13 132.2950 . . 1 . . . B 454 PHE CD1 . 19738 1 1386 . 2 2 122 122 PHE CE1 C 13 131.2170 . . 1 . . . B 454 PHE CE1 . 19738 1 1387 . 2 2 122 122 PHE CZ C 13 129.7080 . . 1 . . . B 454 PHE CZ . 19738 1 1388 . 2 2 122 122 PHE N N 15 122.5100 . . 1 . . . B 454 PHE N . 19738 1 1389 . 2 2 123 123 ALA H H 1 7.4570 . . 1 . . . B 455 ALA H . 19738 1 1390 . 2 2 123 123 ALA HA H 1 4.0970 . . 1 . . . B 455 ALA HA . 19738 1 1391 . 2 2 123 123 ALA HB1 H 1 1.5470 . . 1 . . . B 455 ALA HB1 . 19738 1 1392 . 2 2 123 123 ALA HB2 H 1 1.5470 . . 1 . . . B 455 ALA HB2 . 19738 1 1393 . 2 2 123 123 ALA HB3 H 1 1.5470 . . 1 . . . B 455 ALA HB3 . 19738 1 1394 . 2 2 123 123 ALA CA C 13 53.7220 . . 1 . . . B 455 ALA CA . 19738 1 1395 . 2 2 123 123 ALA CB C 13 17.7190 . . 1 . . . B 455 ALA CB . 19738 1 1396 . 2 2 123 123 ALA N N 15 117.3640 . . 1 . . . B 455 ALA N . 19738 1 1397 . 2 2 124 124 LYS H H 1 6.9970 . . 1 . . . B 456 LYS H . 19738 1 1398 . 2 2 124 124 LYS HA H 1 4.3600 . . 1 . . . B 456 LYS HA . 19738 1 1399 . 2 2 124 124 LYS HB2 H 1 0.9240 . . 2 . . . B 456 LYS HB2 . 19738 1 1400 . 2 2 124 124 LYS HB3 H 1 2.2070 . . 2 . . . B 456 LYS HB3 . 19738 1 1401 . 2 2 124 124 LYS HG2 H 1 1.1500 . . 2 . . . B 456 LYS HG2 . 19738 1 1402 . 2 2 124 124 LYS HG3 H 1 1.2200 . . 2 . . . B 456 LYS HG3 . 19738 1 1403 . 2 2 124 124 LYS HE3 H 1 3.0100 . . 2 . . . B 456 LYS HE3 . 19738 1 1404 . 2 2 124 124 LYS CB C 13 29.1100 . . 1 . . . B 456 LYS CB . 19738 1 1405 . 2 2 124 124 LYS N N 15 114.6230 . . 1 . . . B 456 LYS N . 19738 1 1406 . 2 2 125 125 MET H H 1 7.0600 . . 1 . . . B 457 MET H . 19738 1 1407 . 2 2 125 125 MET HA H 1 4.5510 . . 1 . . . B 457 MET HA . 19738 1 1408 . 2 2 125 125 MET HB2 H 1 1.8030 . . 2 . . . B 457 MET HB2 . 19738 1 1409 . 2 2 125 125 MET HB3 H 1 1.9230 . . 2 . . . B 457 MET HB3 . 19738 1 1410 . 2 2 125 125 MET HG2 H 1 2.3680 . . 2 . . . B 457 MET HG2 . 19738 1 1411 . 2 2 125 125 MET HG3 H 1 2.4730 . . 2 . . . B 457 MET HG3 . 19738 1 1412 . 2 2 125 125 MET HE1 H 1 1.7060 . . 1 . . . B 457 MET HE1 . 19738 1 1413 . 2 2 125 125 MET HE2 H 1 1.7060 . . 1 . . . B 457 MET HE2 . 19738 1 1414 . 2 2 125 125 MET HE3 H 1 1.7060 . . 1 . . . B 457 MET HE3 . 19738 1 1415 . 2 2 125 125 MET CA C 13 54.0140 . . 1 . . . B 457 MET CA . 19738 1 1416 . 2 2 125 125 MET CB C 13 32.5910 . . 1 . . . B 457 MET CB . 19738 1 1417 . 2 2 125 125 MET CG C 13 30.3630 . . 1 . . . B 457 MET CG . 19738 1 1418 . 2 2 125 125 MET CE C 13 16.9100 . . 1 . . . B 457 MET CE . 19738 1 1419 . 2 2 125 125 MET N N 15 121.9300 . . 1 . . . B 457 MET N . 19738 1 1420 . 2 2 126 126 PRO HA H 1 4.4100 . . 1 . . . B 458 PRO HA . 19738 1 1421 . 2 2 126 126 PRO HB2 H 1 1.9410 . . 2 . . . B 458 PRO HB2 . 19738 1 1422 . 2 2 126 126 PRO HB3 H 1 2.3240 . . 2 . . . B 458 PRO HB3 . 19738 1 1423 . 2 2 126 126 PRO HG2 H 1 1.9500 . . 2 . . . B 458 PRO HG2 . 19738 1 1424 . 2 2 126 126 PRO HG3 H 1 2.0190 . . 2 . . . B 458 PRO HG3 . 19738 1 1425 . 2 2 126 126 PRO HD2 H 1 3.7780 . . 2 . . . B 458 PRO HD2 . 19738 1 1426 . 2 2 126 126 PRO HD3 H 1 3.9360 . . 2 . . . B 458 PRO HD3 . 19738 1 1427 . 2 2 126 126 PRO CA C 13 63.0560 . . 1 . . . B 458 PRO CA . 19738 1 1428 . 2 2 126 126 PRO CB C 13 32.1090 . . 1 . . . B 458 PRO CB . 19738 1 1429 . 2 2 126 126 PRO CG C 13 27.2670 . . 1 . . . B 458 PRO CG . 19738 1 1430 . 2 2 126 126 PRO CD C 13 51.2490 . . 1 . . . B 458 PRO CD . 19738 1 1431 . 2 2 127 127 ASP H H 1 8.4190 . . 1 . . . B 459 ASP H . 19738 1 1432 . 2 2 127 127 ASP HA H 1 4.5250 . . 1 . . . B 459 ASP HA . 19738 1 1433 . 2 2 127 127 ASP HB2 H 1 2.5260 . . 2 . . . B 459 ASP HB2 . 19738 1 1434 . 2 2 127 127 ASP HB3 H 1 2.7030 . . 2 . . . B 459 ASP HB3 . 19738 1 1435 . 2 2 127 127 ASP CA C 13 54.2420 . . 1 . . . B 459 ASP CA . 19738 1 1436 . 2 2 127 127 ASP CB C 13 41.5370 . . 1 . . . B 459 ASP CB . 19738 1 1437 . 2 2 127 127 ASP N N 15 121.3400 . . 1 . . . B 459 ASP N . 19738 1 1438 . 2 2 128 128 GLU H H 1 7.8460 . . 1 . . . B 460 GLU H . 19738 1 1439 . 2 2 128 128 GLU HA H 1 4.0930 . . 1 . . . B 460 GLU HA . 19738 1 1440 . 2 2 128 128 GLU HB2 H 1 1.8990 . . 2 . . . B 460 GLU HB2 . 19738 1 1441 . 2 2 128 128 GLU HB3 H 1 2.0300 . . 2 . . . B 460 GLU HB3 . 19738 1 1442 . 2 2 128 128 GLU HG3 H 1 2.1780 . . 2 . . . B 460 GLU HG3 . 19738 1 1443 . 2 2 128 128 GLU CA C 13 57.4680 . . 1 . . . B 460 GLU CA . 19738 1 1444 . 2 2 128 128 GLU CB C 13 31.2070 . . 1 . . . B 460 GLU CB . 19738 1 1445 . 2 2 128 128 GLU CG C 13 36.5880 . . 1 . . . B 460 GLU CG . 19738 1 1446 . 2 2 128 128 GLU N N 15 124.5480 . . 1 . . . B 460 GLU N . 19738 1 stop_ save_