data_18297 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18297 _Entry.Title ; E2 binding surface on Uba3 beta-grasp domain undergoes a conformational transition ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-27 _Entry.Accession_date 2012-02-27 _Entry.Last_release_date . _Entry.Original_release_date . _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 Emine Elgin . Sonay . 18297 2 Francis Peterson . C. . 18297 3 Brian Volkman . F. . 18297 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' . 18297 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'beta grasp domain' . 18297 'E1 enzyme' . 18297 NMR . 18297 Uba3 . 18297 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18297 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 367 18297 '15N chemical shifts' 82 18297 '1H chemical shifts' 591 18297 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-11 2012-02-27 update BMRB 'update entry citation' 18297 1 . . 2012-08-29 2012-02-27 original author 'original release' 18297 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LQ7 'BMRB Entry Tracking System' 18297 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18297 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22821745 _Citation.Full_citation . _Citation.Title 'E2-binding surface on Uba3 -grasp domain undergoes a conformational transition.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 80 _Citation.Journal_issue 10 _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 2482 _Citation.Page_last 2487 _Citation.Year 2012 _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 'E. Sonay' Elgin . . . 18297 1 2 Nazl Sokmen . . . 18297 1 3 Francis Peterson . C. . 18297 1 4 Brian Volkman . F. . 18297 1 5 Cada Da . . . 18297 1 6 Arthur Haas . L. . 18297 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18297 _Assembly.ID 1 _Assembly.Name Uba3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 Uba3 1 $Uba3 A . yes native no no . . . 18297 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Uba3 _Entity.Sf_category entity _Entity.Sf_framecode Uba3 _Entity.Entry_ID 18297 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Uba3 _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 ; GSQLPQNIQFSPSAKLQEVL DYLTNSASLQMKSPAITATL EGKNRTLYLQSVTSIEERTR PNLSKTLKELGLVDGQELAV ADVTTPQTVLFKLHFTS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The N-terminal GS dipeptide is a cloning artifact.' _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'beta grasp domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10658.173 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The N-terminal DS dipeptide is a cloning artifact.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1R4M . "Appbp1-Uba3-Nedd8, An E1-Ubiquitin-Like Protein Complex" . . . . . 98.97 431 100.00 100.00 3.64e-56 . . . . 18297 1 2 no PDB 1R4N . "Appbp1-Uba3-Nedd8, An E1-Ubiquitin-Like Protein Complex With Atp" . . . . . 98.97 431 100.00 100.00 3.64e-56 . . . . 18297 1 3 no PDB 1TT5 . "Structure Of Appbp1-Uba3-Ubc12n26: A Unique E1-E2 Interaction Required For Optimal Conjugation Of The Ubiquitin-Like Protein Ne" . . . . . 98.97 434 100.00 100.00 4.41e-56 . . . . 18297 1 4 no PDB 1Y8X . "Structural Basis For Recruitment Of Ubc12 By An E2-Binding Domain In Nedd8's E1" . . . . . 98.97 98 97.92 97.92 1.50e-58 . . . . 18297 1 5 no PDB 1YOV . "Insights Into The Ubiquitin Transfer Cascade From The Refined Structure Of The Activating Enzyme For Nedd8" . . . . . 98.97 444 100.00 100.00 4.63e-56 . . . . 18297 1 6 no PDB 2LQ7 . "E2 Binding Surface On Uba3 Beta-grasp Domain Undergoes A Conformational Transition" . . . . . 100.00 97 100.00 100.00 1.52e-61 . . . . 18297 1 7 no PDB 2NVU . "Structure Of Appbp1-Uba3~nedd8-Nedd8-Mgatp-Ubc12(C111a), A Trapped Ubiquitin-Like Protein Activation Complex" . . . . . 98.97 805 100.00 100.00 8.55e-54 . . . . 18297 1 8 no PDB 3DBH . "Structural Dissection Of A Gating Mechanism Preventing Misactivation Of Ubiquitin By Nedd8's E1 (Appbp1- Uba3arg190ala-Nedd8ala" . . . . . 98.97 434 100.00 100.00 4.41e-56 . . . . 18297 1 9 no PDB 3DBL . "Structural Dissection Of A Gating Mechanism Preventing Misactivation Of Ubiquitin By Nedd8's E1 (Appbp1- Uba3arg190wt-Nedd8ala7" . . . . . 98.97 434 100.00 100.00 4.70e-56 . . . . 18297 1 10 no PDB 3DBR . "Structural Dissection Of A Gating Mechanism Preventing Misactivation Of Ubiquitin By Nedd8's E1 (Appbp1- Uba3arg190gln-Nedd8ala" . . . . . 98.97 434 100.00 100.00 4.41e-56 . . . . 18297 1 11 no PDB 3FN1 . "E2-Ring Expansion Of The Nedd8 Cascade Confers Specificity To Cullin Modification" . . . . . 98.97 98 97.92 97.92 1.50e-58 . . . . 18297 1 12 no PDB 3GZN . "Structure Of Nedd8-Activating Enzyme In Complex With Nedd8 And Mln4924" . . . . . 98.97 463 100.00 100.00 5.72e-56 . . . . 18297 1 13 no DBJ BAA33144 . "Nedd8-activating enzyme hUba3 [Homo sapiens]" . . . . . 98.97 442 100.00 100.00 4.44e-56 . . . . 18297 1 14 no DBJ BAC27905 . "unnamed protein product [Mus musculus]" . . . . . 97.94 441 100.00 100.00 1.74e-55 . . . . 18297 1 15 no DBJ BAC33258 . "unnamed protein product [Mus musculus]" . . . . . 97.94 462 98.95 100.00 1.02e-54 . . . . 18297 1 16 no DBJ BAE35036 . "unnamed protein product [Mus musculus]" . . . . . 97.94 462 100.00 100.00 2.15e-55 . . . . 18297 1 17 no DBJ BAE38920 . "unnamed protein product [Mus musculus]" . . . . . 97.94 448 100.00 100.00 1.83e-55 . . . . 18297 1 18 no EMBL CAB55996 . "hypothetical protein [Homo sapiens]" . . . . . 98.97 463 100.00 100.00 5.97e-56 . . . . 18297 1 19 no EMBL CAG38568 . "UBE1C [Homo sapiens]" . . . . . 98.97 463 100.00 100.00 5.97e-56 . . . . 18297 1 20 no EMBL CAH90059 . "hypothetical protein [Pongo abelii]" . . . . . 98.97 422 98.96 100.00 1.06e-55 . . . . 18297 1 21 no EMBL CAH92113 . "hypothetical protein [Pongo abelii]" . . . . . 98.97 463 98.96 100.00 2.14e-55 . . . . 18297 1 22 no EMBL CAH92482 . "hypothetical protein [Pongo abelii]" . . . . . 98.97 449 98.96 100.00 1.84e-55 . . . . 18297 1 23 no GB AAC27323 . "NEDD8-conjugating enzyme [Mus musculus]" . . . . . 97.94 441 100.00 100.00 1.74e-55 . . . . 18297 1 24 no GB AAC27648 . "UBA3 [Homo sapiens]" . . . . . 98.97 442 100.00 100.00 4.44e-56 . . . . 18297 1 25 no GB AAH02002 . "Ubiquitin-like modifier activating enzyme 3 [Mus musculus]" . . . . . 97.94 441 100.00 100.00 1.74e-55 . . . . 18297 1 26 no GB AAH22853 . "Ubiquitin-like modifier activating enzyme 3 [Homo sapiens]" . . . . . 98.97 463 100.00 100.00 5.54e-56 . . . . 18297 1 27 no GB AAH80776 . "Uba3 protein, partial [Mus musculus]" . . . . . 97.94 438 100.00 100.00 1.84e-55 . . . . 18297 1 28 no REF NP_001069042 . "NEDD8-activating enzyme E1 catalytic subunit [Bos taurus]" . . . . . 98.97 463 100.00 100.00 5.72e-56 . . . . 18297 1 29 no REF NP_001104576 . "NEDD8-activating enzyme E1 catalytic subunit isoform 2 [Mus musculus]" . . . . . 97.94 448 100.00 100.00 1.83e-55 . . . . 18297 1 30 no REF NP_001126234 . "NEDD8-activating enzyme E1 catalytic subunit isoform 2 [Pongo abelii]" . . . . . 98.97 463 98.96 100.00 2.14e-55 . . . . 18297 1 31 no REF NP_001128861 . "NEDD8-activating enzyme E1 catalytic subunit isoform 1 [Pongo abelii]" . . . . . 98.97 449 98.96 100.00 1.84e-55 . . . . 18297 1 32 no REF NP_001252890 . "NEDD8-activating enzyme E1 catalytic subunit [Macaca mulatta]" . . . . . 98.97 463 100.00 100.00 5.72e-56 . . . . 18297 1 33 no SP Q5R4A0 . "RecName: Full=NEDD8-activating enzyme E1 catalytic subunit; AltName: Full=NEDD8-activating enzyme E1C; AltName: Full=Ubiquitin-" . . . . . 98.97 463 98.96 100.00 2.14e-55 . . . . 18297 1 34 no SP Q8C878 . "RecName: Full=NEDD8-activating enzyme E1 catalytic subunit; AltName: Full=NEDD8-activating enzyme E1C; AltName: Full=Ubiquitin-" . . . . . 97.94 462 100.00 100.00 2.15e-55 . . . . 18297 1 35 no SP Q8TBC4 . "RecName: Full=NEDD8-activating enzyme E1 catalytic subunit; AltName: Full=NEDD8-activating enzyme E1C; AltName: Full=Ubiquitin-" . . . . . 98.97 463 100.00 100.00 5.72e-56 . . . . 18297 1 36 no SP Q99MI7 . "RecName: Full=NEDD8-activating enzyme E1 catalytic subunit; AltName: Full=NEDD8-activating enzyme E1C; AltName: Full=Ubiquitin-" . . . . . 97.94 462 100.00 100.00 2.15e-55 . . . . 18297 1 37 no TPG DAA17089 . "TPA: ubiquitin-activating enzyme 3 [Bos taurus]" . . . . . 98.97 463 100.00 100.00 5.72e-56 . . . . 18297 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 346 GLY . 18297 1 2 347 SER . 18297 1 3 348 GLN . 18297 1 4 349 LEU . 18297 1 5 350 PRO . 18297 1 6 351 GLN . 18297 1 7 352 ASN . 18297 1 8 353 ILE . 18297 1 9 354 GLN . 18297 1 10 355 PHE . 18297 1 11 356 SER . 18297 1 12 357 PRO . 18297 1 13 358 SER . 18297 1 14 359 ALA . 18297 1 15 360 LYS . 18297 1 16 361 LEU . 18297 1 17 362 GLN . 18297 1 18 363 GLU . 18297 1 19 364 VAL . 18297 1 20 365 LEU . 18297 1 21 366 ASP . 18297 1 22 367 TYR . 18297 1 23 368 LEU . 18297 1 24 369 THR . 18297 1 25 370 ASN . 18297 1 26 371 SER . 18297 1 27 372 ALA . 18297 1 28 373 SER . 18297 1 29 374 LEU . 18297 1 30 375 GLN . 18297 1 31 376 MET . 18297 1 32 377 LYS . 18297 1 33 378 SER . 18297 1 34 379 PRO . 18297 1 35 380 ALA . 18297 1 36 381 ILE . 18297 1 37 382 THR . 18297 1 38 383 ALA . 18297 1 39 384 THR . 18297 1 40 385 LEU . 18297 1 41 386 GLU . 18297 1 42 387 GLY . 18297 1 43 388 LYS . 18297 1 44 389 ASN . 18297 1 45 390 ARG . 18297 1 46 391 THR . 18297 1 47 392 LEU . 18297 1 48 393 TYR . 18297 1 49 394 LEU . 18297 1 50 395 GLN . 18297 1 51 396 SER . 18297 1 52 397 VAL . 18297 1 53 398 THR . 18297 1 54 399 SER . 18297 1 55 400 ILE . 18297 1 56 401 GLU . 18297 1 57 402 GLU . 18297 1 58 403 ARG . 18297 1 59 404 THR . 18297 1 60 405 ARG . 18297 1 61 406 PRO . 18297 1 62 407 ASN . 18297 1 63 408 LEU . 18297 1 64 409 SER . 18297 1 65 410 LYS . 18297 1 66 411 THR . 18297 1 67 412 LEU . 18297 1 68 413 LYS . 18297 1 69 414 GLU . 18297 1 70 415 LEU . 18297 1 71 416 GLY . 18297 1 72 417 LEU . 18297 1 73 418 VAL . 18297 1 74 419 ASP . 18297 1 75 420 GLY . 18297 1 76 421 GLN . 18297 1 77 422 GLU . 18297 1 78 423 LEU . 18297 1 79 424 ALA . 18297 1 80 425 VAL . 18297 1 81 426 ALA . 18297 1 82 427 ASP . 18297 1 83 428 VAL . 18297 1 84 429 THR . 18297 1 85 430 THR . 18297 1 86 431 PRO . 18297 1 87 432 GLN . 18297 1 88 433 THR . 18297 1 89 434 VAL . 18297 1 90 435 LEU . 18297 1 91 436 PHE . 18297 1 92 437 LYS . 18297 1 93 438 LEU . 18297 1 94 439 HIS . 18297 1 95 440 PHE . 18297 1 96 441 THR . 18297 1 97 442 SER . 18297 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18297 1 . SER 2 2 18297 1 . GLN 3 3 18297 1 . LEU 4 4 18297 1 . PRO 5 5 18297 1 . GLN 6 6 18297 1 . ASN 7 7 18297 1 . ILE 8 8 18297 1 . GLN 9 9 18297 1 . PHE 10 10 18297 1 . SER 11 11 18297 1 . PRO 12 12 18297 1 . SER 13 13 18297 1 . ALA 14 14 18297 1 . LYS 15 15 18297 1 . LEU 16 16 18297 1 . GLN 17 17 18297 1 . GLU 18 18 18297 1 . VAL 19 19 18297 1 . LEU 20 20 18297 1 . ASP 21 21 18297 1 . TYR 22 22 18297 1 . LEU 23 23 18297 1 . THR 24 24 18297 1 . ASN 25 25 18297 1 . SER 26 26 18297 1 . ALA 27 27 18297 1 . SER 28 28 18297 1 . LEU 29 29 18297 1 . GLN 30 30 18297 1 . MET 31 31 18297 1 . LYS 32 32 18297 1 . SER 33 33 18297 1 . PRO 34 34 18297 1 . ALA 35 35 18297 1 . ILE 36 36 18297 1 . THR 37 37 18297 1 . ALA 38 38 18297 1 . THR 39 39 18297 1 . LEU 40 40 18297 1 . GLU 41 41 18297 1 . GLY 42 42 18297 1 . LYS 43 43 18297 1 . ASN 44 44 18297 1 . ARG 45 45 18297 1 . THR 46 46 18297 1 . LEU 47 47 18297 1 . TYR 48 48 18297 1 . LEU 49 49 18297 1 . GLN 50 50 18297 1 . SER 51 51 18297 1 . VAL 52 52 18297 1 . THR 53 53 18297 1 . SER 54 54 18297 1 . ILE 55 55 18297 1 . GLU 56 56 18297 1 . GLU 57 57 18297 1 . ARG 58 58 18297 1 . THR 59 59 18297 1 . ARG 60 60 18297 1 . PRO 61 61 18297 1 . ASN 62 62 18297 1 . LEU 63 63 18297 1 . SER 64 64 18297 1 . LYS 65 65 18297 1 . THR 66 66 18297 1 . LEU 67 67 18297 1 . LYS 68 68 18297 1 . GLU 69 69 18297 1 . LEU 70 70 18297 1 . GLY 71 71 18297 1 . LEU 72 72 18297 1 . VAL 73 73 18297 1 . ASP 74 74 18297 1 . GLY 75 75 18297 1 . GLN 76 76 18297 1 . GLU 77 77 18297 1 . LEU 78 78 18297 1 . ALA 79 79 18297 1 . VAL 80 80 18297 1 . ALA 81 81 18297 1 . ASP 82 82 18297 1 . VAL 83 83 18297 1 . THR 84 84 18297 1 . THR 85 85 18297 1 . PRO 86 86 18297 1 . GLN 87 87 18297 1 . THR 88 88 18297 1 . VAL 89 89 18297 1 . LEU 90 90 18297 1 . PHE 91 91 18297 1 . LYS 92 92 18297 1 . LEU 93 93 18297 1 . HIS 94 94 18297 1 . PHE 95 95 18297 1 . THR 96 96 18297 1 . SER 97 97 18297 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18297 _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 $Uba3 . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18297 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 18297 _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 $Uba3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli SG13009[pREP4] . . . . . . . . . . . . . . . pQE30 . . . . . . 18297 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18297 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Uba3 '[U-100% 13C; U-100% 15N]' . . 1 $Uba3 . . 0.4 . . mM . . . . 18297 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18297 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18297 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18297 1 5 'sodium azide' 'natural abundance' . . . . . . 90 . . % . . . . 18297 1 6 'sodium azide' 'natural abundance' . . . . . . 10 . . % . . . . 18297 1 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 18297 _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' 127 . mM 18297 1 pH 6.0 . pH 18297 1 pressure 1 . atm 18297 1 temperature 298 . K 18297 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18297 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18297 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18297 1 'structure solution' 18297 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18297 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18297 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18297 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18297 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18297 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18297 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18297 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18297 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18297 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18297 _NMR_spectrometer.ID 1 _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 18297 _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 . 600 . . . 18297 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 18297 _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 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18297 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18297 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18297 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 18297 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18297 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18297 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18297 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 18297 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 18297 1 2 '3D 1H-13C NOESY aliphatic' . . . 18297 1 3 '3D 1H-13C NOESY aromatic' . . . 18297 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.570 0.02 . 1 . . . A 347 SER HA . 18297 1 2 . 1 1 2 2 SER HB2 H 1 3.918 0.02 . 2 . . . A 347 SER HB2 . 18297 1 3 . 1 1 2 2 SER HB3 H 1 4.061 0.02 . 2 . . . A 347 SER HB3 . 18297 1 4 . 1 1 2 2 SER C C 13 174.335 0.10 . 1 . . . A 347 SER C . 18297 1 5 . 1 1 2 2 SER CA C 13 58.350 0.10 . 1 . . . A 347 SER CA . 18297 1 6 . 1 1 2 2 SER CB C 13 63.999 0.10 . 1 . . . A 347 SER CB . 18297 1 7 . 1 1 3 3 GLN H H 1 8.532 0.02 . 1 . . . A 348 GLN H . 18297 1 8 . 1 1 3 3 GLN HA H 1 4.430 0.02 . 1 . . . A 348 GLN HA . 18297 1 9 . 1 1 3 3 GLN HB2 H 1 1.988 0.02 . 2 . . . A 348 GLN HB2 . 18297 1 10 . 1 1 3 3 GLN HB3 H 1 2.106 0.02 . 2 . . . A 348 GLN HB3 . 18297 1 11 . 1 1 3 3 GLN HG2 H 1 2.383 0.02 . 2 . . . A 348 GLN HG2 . 18297 1 12 . 1 1 3 3 GLN HG3 H 1 2.383 0.02 . 2 . . . A 348 GLN HG3 . 18297 1 13 . 1 1 3 3 GLN C C 13 175.651 0.10 . 1 . . . A 348 GLN C . 18297 1 14 . 1 1 3 3 GLN CA C 13 55.743 0.10 . 1 . . . A 348 GLN CA . 18297 1 15 . 1 1 3 3 GLN CB C 13 29.750 0.10 . 1 . . . A 348 GLN CB . 18297 1 16 . 1 1 3 3 GLN CG C 13 33.942 0.10 . 1 . . . A 348 GLN CG . 18297 1 17 . 1 1 3 3 GLN N N 15 122.478 0.10 . 1 . . . A 348 GLN N . 18297 1 18 . 1 1 4 4 LEU H H 1 8.403 0.02 . 1 . . . A 349 LEU H . 18297 1 19 . 1 1 4 4 LEU HA H 1 4.634 0.02 . 1 . . . A 349 LEU HA . 18297 1 20 . 1 1 4 4 LEU HB2 H 1 1.568 0.02 . 2 . . . A 349 LEU HB2 . 18297 1 21 . 1 1 4 4 LEU HB3 H 1 1.617 0.02 . 2 . . . A 349 LEU HB3 . 18297 1 22 . 1 1 4 4 LEU HG H 1 1.703 0.02 . 1 . . . A 349 LEU HG . 18297 1 23 . 1 1 4 4 LEU C C 13 175.324 0.10 . 1 . . . A 349 LEU C . 18297 1 24 . 1 1 4 4 LEU CA C 13 53.197 0.10 . 1 . . . A 349 LEU CA . 18297 1 25 . 1 1 4 4 LEU CB C 13 41.867 0.10 . 1 . . . A 349 LEU CB . 18297 1 26 . 1 1 4 4 LEU CG C 13 27.624 0.10 . 1 . . . A 349 LEU CG . 18297 1 27 . 1 1 4 4 LEU N N 15 125.369 0.10 . 1 . . . A 349 LEU N . 18297 1 28 . 1 1 5 5 PRO HA H 1 4.360 0.02 . 1 . . . A 350 PRO HA . 18297 1 29 . 1 1 5 5 PRO HB2 H 1 1.739 0.02 . 2 . . . A 350 PRO HB2 . 18297 1 30 . 1 1 5 5 PRO HB3 H 1 1.972 0.02 . 2 . . . A 350 PRO HB3 . 18297 1 31 . 1 1 5 5 PRO HG2 H 1 1.971 0.02 . 2 . . . A 350 PRO HG2 . 18297 1 32 . 1 1 5 5 PRO HG3 H 1 2.077 0.02 . 2 . . . A 350 PRO HG3 . 18297 1 33 . 1 1 5 5 PRO HD2 H 1 3.638 0.02 . 2 . . . A 350 PRO HD2 . 18297 1 34 . 1 1 5 5 PRO HD3 H 1 3.924 0.02 . 2 . . . A 350 PRO HD3 . 18297 1 35 . 1 1 5 5 PRO C C 13 176.639 0.10 . 1 . . . A 350 PRO C . 18297 1 36 . 1 1 5 5 PRO CA C 13 62.748 0.10 . 1 . . . A 350 PRO CA . 18297 1 37 . 1 1 5 5 PRO CB C 13 32.319 0.10 . 1 . . . A 350 PRO CB . 18297 1 38 . 1 1 5 5 PRO CG C 13 27.525 0.10 . 1 . . . A 350 PRO CG . 18297 1 39 . 1 1 5 5 PRO CD C 13 50.774 0.10 . 1 . . . A 350 PRO CD . 18297 1 40 . 1 1 6 6 GLN H H 1 8.255 0.02 . 1 . . . A 351 GLN H . 18297 1 41 . 1 1 6 6 GLN HA H 1 4.428 0.02 . 1 . . . A 351 GLN HA . 18297 1 42 . 1 1 6 6 GLN HB2 H 1 2.099 0.02 . 2 . . . A 351 GLN HB2 . 18297 1 43 . 1 1 6 6 GLN HB3 H 1 1.871 0.02 . 2 . . . A 351 GLN HB3 . 18297 1 44 . 1 1 6 6 GLN HG2 H 1 2.346 0.02 . 2 . . . A 351 GLN HG2 . 18297 1 45 . 1 1 6 6 GLN HG3 H 1 2.346 0.02 . 2 . . . A 351 GLN HG3 . 18297 1 46 . 1 1 6 6 GLN C C 13 175.898 0.10 . 1 . . . A 351 GLN C . 18297 1 47 . 1 1 6 6 GLN CA C 13 55.678 0.10 . 1 . . . A 351 GLN CA . 18297 1 48 . 1 1 6 6 GLN CB C 13 30.054 0.10 . 1 . . . A 351 GLN CB . 18297 1 49 . 1 1 6 6 GLN CG C 13 33.944 0.10 . 1 . . . A 351 GLN CG . 18297 1 50 . 1 1 6 6 GLN N N 15 121.707 0.10 . 1 . . . A 351 GLN N . 18297 1 51 . 1 1 7 7 ASN H H 1 8.860 0.02 . 1 . . . A 352 ASN H . 18297 1 52 . 1 1 7 7 ASN HA H 1 5.470 0.02 . 1 . . . A 352 ASN HA . 18297 1 53 . 1 1 7 7 ASN HB2 H 1 2.652 0.02 . 2 . . . A 352 ASN HB2 . 18297 1 54 . 1 1 7 7 ASN HB3 H 1 2.834 0.02 . 2 . . . A 352 ASN HB3 . 18297 1 55 . 1 1 7 7 ASN C C 13 175.324 0.10 . 1 . . . A 352 ASN C . 18297 1 56 . 1 1 7 7 ASN CA C 13 54.009 0.10 . 1 . . . A 352 ASN CA . 18297 1 57 . 1 1 7 7 ASN CB C 13 40.414 0.10 . 1 . . . A 352 ASN CB . 18297 1 58 . 1 1 7 7 ASN N N 15 123.275 0.10 . 1 . . . A 352 ASN N . 18297 1 59 . 1 1 8 8 ILE H H 1 8.808 0.02 . 1 . . . A 353 ILE H . 18297 1 60 . 1 1 8 8 ILE HA H 1 4.625 0.02 . 1 . . . A 353 ILE HA . 18297 1 61 . 1 1 8 8 ILE HB H 1 1.704 0.02 . 1 . . . A 353 ILE HB . 18297 1 62 . 1 1 8 8 ILE HG12 H 1 1.565 0.02 . 2 . . . A 353 ILE HG12 . 18297 1 63 . 1 1 8 8 ILE HG13 H 1 1.044 0.02 . 2 . . . A 353 ILE HG13 . 18297 1 64 . 1 1 8 8 ILE HG21 H 1 0.839 0.02 . 1 . . . A 353 ILE HG21 . 18297 1 65 . 1 1 8 8 ILE HG22 H 1 0.839 0.02 . 1 . . . A 353 ILE HG22 . 18297 1 66 . 1 1 8 8 ILE HG23 H 1 0.839 0.02 . 1 . . . A 353 ILE HG23 . 18297 1 67 . 1 1 8 8 ILE HD11 H 1 0.544 0.02 . 1 . . . A 353 ILE HD11 . 18297 1 68 . 1 1 8 8 ILE HD12 H 1 0.544 0.02 . 1 . . . A 353 ILE HD12 . 18297 1 69 . 1 1 8 8 ILE HD13 H 1 0.544 0.02 . 1 . . . A 353 ILE HD13 . 18297 1 70 . 1 1 8 8 ILE C C 13 173.669 0.10 . 1 . . . A 353 ILE C . 18297 1 71 . 1 1 8 8 ILE CA C 13 60.201 0.10 . 1 . . . A 353 ILE CA . 18297 1 72 . 1 1 8 8 ILE CB C 13 41.404 0.10 . 1 . . . A 353 ILE CB . 18297 1 73 . 1 1 8 8 ILE CG1 C 13 25.853 0.10 . 1 . . . A 353 ILE CG1 . 18297 1 74 . 1 1 8 8 ILE CG2 C 13 18.730 0.10 . 1 . . . A 353 ILE CG2 . 18297 1 75 . 1 1 8 8 ILE CD1 C 13 12.962 0.10 . 1 . . . A 353 ILE CD1 . 18297 1 76 . 1 1 8 8 ILE N N 15 119.104 0.10 . 1 . . . A 353 ILE N . 18297 1 77 . 1 1 9 9 GLN H H 1 8.021 0.02 . 1 . . . A 354 GLN H . 18297 1 78 . 1 1 9 9 GLN HA H 1 5.586 0.02 . 1 . . . A 354 GLN HA . 18297 1 79 . 1 1 9 9 GLN HB2 H 1 1.799 0.02 . 2 . . . A 354 GLN HB2 . 18297 1 80 . 1 1 9 9 GLN HB3 H 1 1.799 0.02 . 2 . . . A 354 GLN HB3 . 18297 1 81 . 1 1 9 9 GLN HG2 H 1 2.142 0.02 . 2 . . . A 354 GLN HG2 . 18297 1 82 . 1 1 9 9 GLN HG3 H 1 2.142 0.02 . 2 . . . A 354 GLN HG3 . 18297 1 83 . 1 1 9 9 GLN C C 13 174.274 0.10 . 1 . . . A 354 GLN C . 18297 1 84 . 1 1 9 9 GLN CA C 13 54.491 0.10 . 1 . . . A 354 GLN CA . 18297 1 85 . 1 1 9 9 GLN CB C 13 31.120 0.10 . 1 . . . A 354 GLN CB . 18297 1 86 . 1 1 9 9 GLN CG C 13 33.942 0.10 . 1 . . . A 354 GLN CG . 18297 1 87 . 1 1 9 9 GLN N N 15 122.671 0.10 . 1 . . . A 354 GLN N . 18297 1 88 . 1 1 10 10 PHE H H 1 8.403 0.02 . 1 . . . A 355 PHE H . 18297 1 89 . 1 1 10 10 PHE HA H 1 4.635 0.02 . 1 . . . A 355 PHE HA . 18297 1 90 . 1 1 10 10 PHE HB2 H 1 3.240 0.02 . 2 . . . A 355 PHE HB2 . 18297 1 91 . 1 1 10 10 PHE HB3 H 1 2.289 0.02 . 2 . . . A 355 PHE HB3 . 18297 1 92 . 1 1 10 10 PHE HD1 H 1 7.001 0.02 . 3 . . . A 355 PHE HD1 . 18297 1 93 . 1 1 10 10 PHE HD2 H 1 7.001 0.02 . 3 . . . A 355 PHE HD2 . 18297 1 94 . 1 1 10 10 PHE HE1 H 1 6.923 0.02 . 3 . . . A 355 PHE HE1 . 18297 1 95 . 1 1 10 10 PHE HE2 H 1 6.923 0.02 . 3 . . . A 355 PHE HE2 . 18297 1 96 . 1 1 10 10 PHE HZ H 1 6.840 0.02 . 1 . . . A 355 PHE HZ . 18297 1 97 . 1 1 10 10 PHE C C 13 174.715 0.10 . 1 . . . A 355 PHE C . 18297 1 98 . 1 1 10 10 PHE CA C 13 57.226 0.10 . 1 . . . A 355 PHE CA . 18297 1 99 . 1 1 10 10 PHE CB C 13 45.969 0.10 . 1 . . . A 355 PHE CB . 18297 1 100 . 1 1 10 10 PHE CD2 C 13 131.532 0.10 . 3 . . . A 355 PHE CD2 . 18297 1 101 . 1 1 10 10 PHE CE2 C 13 131.273 0.10 . 3 . . . A 355 PHE CE2 . 18297 1 102 . 1 1 10 10 PHE CZ C 13 128.683 0.10 . 1 . . . A 355 PHE CZ . 18297 1 103 . 1 1 10 10 PHE N N 15 120.679 0.10 . 1 . . . A 355 PHE N . 18297 1 104 . 1 1 11 11 SER H H 1 8.757 0.02 . 1 . . . A 356 SER H . 18297 1 105 . 1 1 11 11 SER HA H 1 5.020 0.02 . 1 . . . A 356 SER HA . 18297 1 106 . 1 1 11 11 SER HB2 H 1 3.811 0.02 . 2 . . . A 356 SER HB2 . 18297 1 107 . 1 1 11 11 SER HB3 H 1 4.131 0.02 . 2 . . . A 356 SER HB3 . 18297 1 108 . 1 1 11 11 SER C C 13 174.917 0.10 . 1 . . . A 356 SER C . 18297 1 109 . 1 1 11 11 SER CA C 13 56.110 0.10 . 1 . . . A 356 SER CA . 18297 1 110 . 1 1 11 11 SER CB C 13 63.879 0.10 . 1 . . . A 356 SER CB . 18297 1 111 . 1 1 11 11 SER N N 15 116.116 0.10 . 1 . . . A 356 SER N . 18297 1 112 . 1 1 12 12 PRO HA H 1 3.776 0.02 . 1 . . . A 357 PRO HA . 18297 1 113 . 1 1 12 12 PRO HB2 H 1 1.622 0.02 . 2 . . . A 357 PRO HB2 . 18297 1 114 . 1 1 12 12 PRO HB3 H 1 1.256 0.02 . 2 . . . A 357 PRO HB3 . 18297 1 115 . 1 1 12 12 PRO HG2 H 1 1.410 0.02 . 2 . . . A 357 PRO HG2 . 18297 1 116 . 1 1 12 12 PRO HG3 H 1 1.858 0.02 . 2 . . . A 357 PRO HG3 . 18297 1 117 . 1 1 12 12 PRO HD2 H 1 3.919 0.02 . 2 . . . A 357 PRO HD2 . 18297 1 118 . 1 1 12 12 PRO HD3 H 1 3.593 0.02 . 2 . . . A 357 PRO HD3 . 18297 1 119 . 1 1 12 12 PRO C C 13 176.155 0.10 . 1 . . . A 357 PRO C . 18297 1 120 . 1 1 12 12 PRO CA C 13 64.886 0.10 . 1 . . . A 357 PRO CA . 18297 1 121 . 1 1 12 12 PRO CB C 13 31.222 0.10 . 1 . . . A 357 PRO CB . 18297 1 122 . 1 1 12 12 PRO CG C 13 26.817 0.10 . 1 . . . A 357 PRO CG . 18297 1 123 . 1 1 12 12 PRO CD C 13 50.771 0.10 . 1 . . . A 357 PRO CD . 18297 1 124 . 1 1 13 13 SER H H 1 7.636 0.02 . 1 . . . A 358 SER H . 18297 1 125 . 1 1 13 13 SER HA H 1 4.388 0.02 . 1 . . . A 358 SER HA . 18297 1 126 . 1 1 13 13 SER HB2 H 1 3.902 0.02 . 2 . . . A 358 SER HB2 . 18297 1 127 . 1 1 13 13 SER HB3 H 1 3.958 0.02 . 2 . . . A 358 SER HB3 . 18297 1 128 . 1 1 13 13 SER C C 13 173.972 0.10 . 1 . . . A 358 SER C . 18297 1 129 . 1 1 13 13 SER CA C 13 57.728 0.10 . 1 . . . A 358 SER CA . 18297 1 130 . 1 1 13 13 SER CB C 13 63.879 0.10 . 1 . . . A 358 SER CB . 18297 1 131 . 1 1 13 13 SER N N 15 107.859 0.10 . 1 . . . A 358 SER N . 18297 1 132 . 1 1 14 14 ALA H H 1 7.937 0.02 . 1 . . . A 359 ALA H . 18297 1 133 . 1 1 14 14 ALA HA H 1 4.320 0.02 . 1 . . . A 359 ALA HA . 18297 1 134 . 1 1 14 14 ALA HB1 H 1 1.500 0.02 . 1 . . . A 359 ALA HB1 . 18297 1 135 . 1 1 14 14 ALA HB2 H 1 1.500 0.02 . 1 . . . A 359 ALA HB2 . 18297 1 136 . 1 1 14 14 ALA HB3 H 1 1.500 0.02 . 1 . . . A 359 ALA HB3 . 18297 1 137 . 1 1 14 14 ALA C C 13 177.288 0.10 . 1 . . . A 359 ALA C . 18297 1 138 . 1 1 14 14 ALA CA C 13 52.849 0.10 . 1 . . . A 359 ALA CA . 18297 1 139 . 1 1 14 14 ALA CB C 13 19.372 0.10 . 1 . . . A 359 ALA CB . 18297 1 140 . 1 1 14 14 ALA N N 15 126.012 0.10 . 1 . . . A 359 ALA N . 18297 1 141 . 1 1 15 15 LYS H H 1 8.523 0.02 . 1 . . . A 360 LYS H . 18297 1 142 . 1 1 15 15 LYS HA H 1 4.751 0.02 . 1 . . . A 360 LYS HA . 18297 1 143 . 1 1 15 15 LYS HB2 H 1 2.199 0.02 . 2 . . . A 360 LYS HB2 . 18297 1 144 . 1 1 15 15 LYS HB3 H 1 1.743 0.02 . 2 . . . A 360 LYS HB3 . 18297 1 145 . 1 1 15 15 LYS C C 13 179.638 0.10 . 1 . . . A 360 LYS C . 18297 1 146 . 1 1 15 15 LYS CA C 13 54.815 0.10 . 1 . . . A 360 LYS CA . 18297 1 147 . 1 1 15 15 LYS CB C 13 33.127 0.10 . 1 . . . A 360 LYS CB . 18297 1 148 . 1 1 15 15 LYS N N 15 119.699 0.10 . 1 . . . A 360 LYS N . 18297 1 149 . 1 1 16 16 LEU H H 1 8.383 0.02 . 1 . . . A 361 LEU H . 18297 1 150 . 1 1 16 16 LEU HA H 1 3.828 0.02 . 1 . . . A 361 LEU HA . 18297 1 151 . 1 1 16 16 LEU HB2 H 1 2.215 0.02 . 2 . . . A 361 LEU HB2 . 18297 1 152 . 1 1 16 16 LEU HB3 H 1 1.253 0.02 . 2 . . . A 361 LEU HB3 . 18297 1 153 . 1 1 16 16 LEU HG H 1 0.688 0.02 . 1 . . . A 361 LEU HG . 18297 1 154 . 1 1 16 16 LEU HD11 H 1 1.504 0.02 . 2 . . . A 361 LEU HD11 . 18297 1 155 . 1 1 16 16 LEU HD12 H 1 1.504 0.02 . 2 . . . A 361 LEU HD12 . 18297 1 156 . 1 1 16 16 LEU HD13 H 1 1.504 0.02 . 2 . . . A 361 LEU HD13 . 18297 1 157 . 1 1 16 16 LEU HD21 H 1 0.659 0.02 . 2 . . . A 361 LEU HD21 . 18297 1 158 . 1 1 16 16 LEU HD22 H 1 0.659 0.02 . 2 . . . A 361 LEU HD22 . 18297 1 159 . 1 1 16 16 LEU HD23 H 1 0.659 0.02 . 2 . . . A 361 LEU HD23 . 18297 1 160 . 1 1 16 16 LEU C C 13 178.714 0.10 . 1 . . . A 361 LEU C . 18297 1 161 . 1 1 16 16 LEU CA C 13 58.321 0.10 . 1 . . . A 361 LEU CA . 18297 1 162 . 1 1 16 16 LEU CB C 13 40.240 0.10 . 1 . . . A 361 LEU CB . 18297 1 163 . 1 1 16 16 LEU CG C 13 27.145 0.10 . 1 . . . A 361 LEU CG . 18297 1 164 . 1 1 16 16 LEU CD1 C 13 26.495 0.10 . 2 . . . A 361 LEU CD1 . 18297 1 165 . 1 1 16 16 LEU CD2 C 13 22.290 0.10 . 2 . . . A 361 LEU CD2 . 18297 1 166 . 1 1 16 16 LEU N N 15 123.297 0.10 . 1 . . . A 361 LEU N . 18297 1 167 . 1 1 17 17 GLN H H 1 8.766 0.02 . 1 . . . A 362 GLN H . 18297 1 168 . 1 1 17 17 GLN HA H 1 3.621 0.02 . 1 . . . A 362 GLN HA . 18297 1 169 . 1 1 17 17 GLN HB2 H 1 1.762 0.02 . 2 . . . A 362 GLN HB2 . 18297 1 170 . 1 1 17 17 GLN HB3 H 1 2.300 0.02 . 2 . . . A 362 GLN HB3 . 18297 1 171 . 1 1 17 17 GLN HG2 H 1 2.281 0.02 . 2 . . . A 362 GLN HG2 . 18297 1 172 . 1 1 17 17 GLN HG3 H 1 2.281 0.02 . 2 . . . A 362 GLN HG3 . 18297 1 173 . 1 1 17 17 GLN C C 13 176.370 0.10 . 1 . . . A 362 GLN C . 18297 1 174 . 1 1 17 17 GLN CA C 13 58.547 0.10 . 1 . . . A 362 GLN CA . 18297 1 175 . 1 1 17 17 GLN CB C 13 29.442 0.10 . 1 . . . A 362 GLN CB . 18297 1 176 . 1 1 17 17 GLN CG C 13 32.971 0.10 . 1 . . . A 362 GLN CG . 18297 1 177 . 1 1 17 17 GLN N N 15 117.900 0.10 . 1 . . . A 362 GLN N . 18297 1 178 . 1 1 18 18 GLU H H 1 7.783 0.02 . 1 . . . A 363 GLU H . 18297 1 179 . 1 1 18 18 GLU HA H 1 4.201 0.02 . 1 . . . A 363 GLU HA . 18297 1 180 . 1 1 18 18 GLU HB2 H 1 2.368 0.02 . 2 . . . A 363 GLU HB2 . 18297 1 181 . 1 1 18 18 GLU HB3 H 1 2.265 0.02 . 2 . . . A 363 GLU HB3 . 18297 1 182 . 1 1 18 18 GLU HG2 H 1 2.430 0.02 . 2 . . . A 363 GLU HG2 . 18297 1 183 . 1 1 18 18 GLU HG3 H 1 2.488 0.02 . 2 . . . A 363 GLU HG3 . 18297 1 184 . 1 1 18 18 GLU C C 13 180.135 0.10 . 1 . . . A 363 GLU C . 18297 1 185 . 1 1 18 18 GLU CA C 13 59.669 0.10 . 1 . . . A 363 GLU CA . 18297 1 186 . 1 1 18 18 GLU CB C 13 29.870 0.10 . 1 . . . A 363 GLU CB . 18297 1 187 . 1 1 18 18 GLU CG C 13 38.147 0.10 . 1 . . . A 363 GLU CG . 18297 1 188 . 1 1 18 18 GLU N N 15 116.341 0.10 . 1 . . . A 363 GLU N . 18297 1 189 . 1 1 19 19 VAL H H 1 7.224 0.02 . 1 . . . A 364 VAL H . 18297 1 190 . 1 1 19 19 VAL HA H 1 3.421 0.02 . 1 . . . A 364 VAL HA . 18297 1 191 . 1 1 19 19 VAL HB H 1 2.052 0.02 . 1 . . . A 364 VAL HB . 18297 1 192 . 1 1 19 19 VAL HG11 H 1 0.491 0.02 . 2 . . . A 364 VAL HG11 . 18297 1 193 . 1 1 19 19 VAL HG12 H 1 0.491 0.02 . 2 . . . A 364 VAL HG12 . 18297 1 194 . 1 1 19 19 VAL HG13 H 1 0.491 0.02 . 2 . . . A 364 VAL HG13 . 18297 1 195 . 1 1 19 19 VAL HG21 H 1 -0.020 0.02 . 2 . . . A 364 VAL HG21 . 18297 1 196 . 1 1 19 19 VAL HG22 H 1 -0.020 0.02 . 2 . . . A 364 VAL HG22 . 18297 1 197 . 1 1 19 19 VAL HG23 H 1 -0.020 0.02 . 2 . . . A 364 VAL HG23 . 18297 1 198 . 1 1 19 19 VAL C C 13 177.380 0.10 . 1 . . . A 364 VAL C . 18297 1 199 . 1 1 19 19 VAL CA C 13 65.433 0.10 . 1 . . . A 364 VAL CA . 18297 1 200 . 1 1 19 19 VAL CB C 13 30.964 0.10 . 1 . . . A 364 VAL CB . 18297 1 201 . 1 1 19 19 VAL CG1 C 13 19.697 0.10 . 2 . . . A 364 VAL CG1 . 18297 1 202 . 1 1 19 19 VAL CG2 C 13 20.991 0.10 . 2 . . . A 364 VAL CG2 . 18297 1 203 . 1 1 19 19 VAL N N 15 120.647 0.10 . 1 . . . A 364 VAL N . 18297 1 204 . 1 1 20 20 LEU H H 1 7.517 0.02 . 1 . . . A 365 LEU H . 18297 1 205 . 1 1 20 20 LEU HA H 1 3.916 0.02 . 1 . . . A 365 LEU HA . 18297 1 206 . 1 1 20 20 LEU HB2 H 1 1.930 0.02 . 2 . . . A 365 LEU HB2 . 18297 1 207 . 1 1 20 20 LEU HB3 H 1 1.174 0.02 . 2 . . . A 365 LEU HB3 . 18297 1 208 . 1 1 20 20 LEU HG H 1 1.646 0.02 . 1 . . . A 365 LEU HG . 18297 1 209 . 1 1 20 20 LEU HD11 H 1 0.760 0.02 . 2 . . . A 365 LEU HD11 . 18297 1 210 . 1 1 20 20 LEU HD12 H 1 0.760 0.02 . 2 . . . A 365 LEU HD12 . 18297 1 211 . 1 1 20 20 LEU HD13 H 1 0.760 0.02 . 2 . . . A 365 LEU HD13 . 18297 1 212 . 1 1 20 20 LEU HD21 H 1 0.894 0.02 . 2 . . . A 365 LEU HD21 . 18297 1 213 . 1 1 20 20 LEU HD22 H 1 0.894 0.02 . 2 . . . A 365 LEU HD22 . 18297 1 214 . 1 1 20 20 LEU HD23 H 1 0.894 0.02 . 2 . . . A 365 LEU HD23 . 18297 1 215 . 1 1 20 20 LEU C C 13 178.974 0.10 . 1 . . . A 365 LEU C . 18297 1 216 . 1 1 20 20 LEU CA C 13 58.612 0.10 . 1 . . . A 365 LEU CA . 18297 1 217 . 1 1 20 20 LEU CB C 13 41.425 0.10 . 1 . . . A 365 LEU CB . 18297 1 218 . 1 1 20 20 LEU CG C 13 27.145 0.10 . 1 . . . A 365 LEU CG . 18297 1 219 . 1 1 20 20 LEU CD1 C 13 26.170 0.10 . 2 . . . A 365 LEU CD1 . 18297 1 220 . 1 1 20 20 LEU CD2 C 13 24.711 0.10 . 2 . . . A 365 LEU CD2 . 18297 1 221 . 1 1 20 20 LEU N N 15 120.743 0.10 . 1 . . . A 365 LEU N . 18297 1 222 . 1 1 21 21 ASP H H 1 8.805 0.02 . 1 . . . A 366 ASP H . 18297 1 223 . 1 1 21 21 ASP HA H 1 4.306 0.02 . 1 . . . A 366 ASP HA . 18297 1 224 . 1 1 21 21 ASP HB2 H 1 2.756 0.02 . 2 . . . A 366 ASP HB2 . 18297 1 225 . 1 1 21 21 ASP HB3 H 1 2.756 0.02 . 2 . . . A 366 ASP HB3 . 18297 1 226 . 1 1 21 21 ASP C C 13 177.992 0.10 . 1 . . . A 366 ASP C . 18297 1 227 . 1 1 21 21 ASP CA C 13 57.405 0.10 . 1 . . . A 366 ASP CA . 18297 1 228 . 1 1 21 21 ASP CB C 13 40.265 0.10 . 1 . . . A 366 ASP CB . 18297 1 229 . 1 1 21 21 ASP N N 15 119.329 0.10 . 1 . . . A 366 ASP N . 18297 1 230 . 1 1 22 22 TYR H H 1 7.718 0.02 . 1 . . . A 367 TYR H . 18297 1 231 . 1 1 22 22 TYR HA H 1 4.305 0.02 . 1 . . . A 367 TYR HA . 18297 1 232 . 1 1 22 22 TYR HB2 H 1 3.519 0.02 . 2 . . . A 367 TYR HB2 . 18297 1 233 . 1 1 22 22 TYR HB3 H 1 3.519 0.02 . 2 . . . A 367 TYR HB3 . 18297 1 234 . 1 1 22 22 TYR HD1 H 1 7.069 0.02 . 3 . . . A 367 TYR HD1 . 18297 1 235 . 1 1 22 22 TYR HD2 H 1 7.069 0.02 . 3 . . . A 367 TYR HD2 . 18297 1 236 . 1 1 22 22 TYR HE1 H 1 6.799 0.02 . 3 . . . A 367 TYR HE1 . 18297 1 237 . 1 1 22 22 TYR HE2 H 1 6.799 0.02 . 3 . . . A 367 TYR HE2 . 18297 1 238 . 1 1 22 22 TYR C C 13 177.701 0.10 . 1 . . . A 367 TYR C . 18297 1 239 . 1 1 22 22 TYR CA C 13 61.777 0.10 . 1 . . . A 367 TYR CA . 18297 1 240 . 1 1 22 22 TYR CB C 13 38.801 0.10 . 1 . . . A 367 TYR CB . 18297 1 241 . 1 1 22 22 TYR CD2 C 13 133.085 0.10 . 3 . . . A 367 TYR CD2 . 18297 1 242 . 1 1 22 22 TYR CE2 C 13 118.843 0.10 . 3 . . . A 367 TYR CE2 . 18297 1 243 . 1 1 22 22 TYR N N 15 121.643 0.10 . 1 . . . A 367 TYR N . 18297 1 244 . 1 1 23 23 LEU H H 1 8.060 0.02 . 1 . . . A 368 LEU H . 18297 1 245 . 1 1 23 23 LEU HA H 1 3.910 0.02 . 1 . . . A 368 LEU HA . 18297 1 246 . 1 1 23 23 LEU HB2 H 1 1.598 0.02 . 2 . . . A 368 LEU HB2 . 18297 1 247 . 1 1 23 23 LEU HB3 H 1 2.015 0.02 . 2 . . . A 368 LEU HB3 . 18297 1 248 . 1 1 23 23 LEU HG H 1 2.161 0.02 . 1 . . . A 368 LEU HG . 18297 1 249 . 1 1 23 23 LEU HD11 H 1 0.735 0.02 . 2 . . . A 368 LEU HD11 . 18297 1 250 . 1 1 23 23 LEU HD12 H 1 0.735 0.02 . 2 . . . A 368 LEU HD12 . 18297 1 251 . 1 1 23 23 LEU HD13 H 1 0.735 0.02 . 2 . . . A 368 LEU HD13 . 18297 1 252 . 1 1 23 23 LEU HD21 H 1 0.604 0.02 . 2 . . . A 368 LEU HD21 . 18297 1 253 . 1 1 23 23 LEU HD22 H 1 0.604 0.02 . 2 . . . A 368 LEU HD22 . 18297 1 254 . 1 1 23 23 LEU HD23 H 1 0.604 0.02 . 2 . . . A 368 LEU HD23 . 18297 1 255 . 1 1 23 23 LEU C C 13 178.019 0.10 . 1 . . . A 368 LEU C . 18297 1 256 . 1 1 23 23 LEU CA C 13 57.773 0.10 . 1 . . . A 368 LEU CA . 18297 1 257 . 1 1 23 23 LEU CB C 13 42.032 0.10 . 1 . . . A 368 LEU CB . 18297 1 258 . 1 1 23 23 LEU CG C 13 26.492 0.10 . 1 . . . A 368 LEU CG . 18297 1 259 . 1 1 23 23 LEU CD1 C 13 26.817 0.10 . 2 . . . A 368 LEU CD1 . 18297 1 260 . 1 1 23 23 LEU CD2 C 13 22.609 0.10 . 2 . . . A 368 LEU CD2 . 18297 1 261 . 1 1 23 23 LEU N N 15 118.414 0.10 . 1 . . . A 368 LEU N . 18297 1 262 . 1 1 24 24 THR H H 1 8.017 0.02 . 1 . . . A 369 THR H . 18297 1 263 . 1 1 24 24 THR HA H 1 4.507 0.02 . 1 . . . A 369 THR HA . 18297 1 264 . 1 1 24 24 THR HB H 1 4.316 0.02 . 1 . . . A 369 THR HB . 18297 1 265 . 1 1 24 24 THR HG21 H 1 1.142 0.02 . 1 . . . A 369 THR HG21 . 18297 1 266 . 1 1 24 24 THR HG22 H 1 1.142 0.02 . 1 . . . A 369 THR HG22 . 18297 1 267 . 1 1 24 24 THR HG23 H 1 1.142 0.02 . 1 . . . A 369 THR HG23 . 18297 1 268 . 1 1 24 24 THR C C 13 176.576 0.10 . 1 . . . A 369 THR C . 18297 1 269 . 1 1 24 24 THR CA C 13 63.245 0.10 . 1 . . . A 369 THR CA . 18297 1 270 . 1 1 24 24 THR CB C 13 70.517 0.10 . 1 . . . A 369 THR CB . 18297 1 271 . 1 1 24 24 THR CG2 C 13 21.150 0.10 . 1 . . . A 369 THR CG2 . 18297 1 272 . 1 1 24 24 THR N N 15 106.606 0.10 . 1 . . . A 369 THR N . 18297 1 273 . 1 1 25 25 ASN H H 1 8.149 0.02 . 1 . . . A 370 ASN H . 18297 1 274 . 1 1 25 25 ASN HA H 1 4.846 0.02 . 1 . . . A 370 ASN HA . 18297 1 275 . 1 1 25 25 ASN HB2 H 1 2.831 0.02 . 2 . . . A 370 ASN HB2 . 18297 1 276 . 1 1 25 25 ASN HB3 H 1 2.932 0.02 . 2 . . . A 370 ASN HB3 . 18297 1 277 . 1 1 25 25 ASN C C 13 176.455 0.10 . 1 . . . A 370 ASN C . 18297 1 278 . 1 1 25 25 ASN CA C 13 53.944 0.10 . 1 . . . A 370 ASN CA . 18297 1 279 . 1 1 25 25 ASN CB C 13 39.718 0.10 . 1 . . . A 370 ASN CB . 18297 1 280 . 1 1 25 25 ASN N N 15 118.847 0.10 . 1 . . . A 370 ASN N . 18297 1 281 . 1 1 26 26 SER H H 1 7.889 0.02 . 1 . . . A 371 SER H . 18297 1 282 . 1 1 26 26 SER HA H 1 4.375 0.02 . 1 . . . A 371 SER HA . 18297 1 283 . 1 1 26 26 SER HB2 H 1 3.763 0.02 . 2 . . . A 371 SER HB2 . 18297 1 284 . 1 1 26 26 SER HB3 H 1 3.763 0.02 . 2 . . . A 371 SER HB3 . 18297 1 285 . 1 1 26 26 SER C C 13 176.257 0.10 . 1 . . . A 371 SER C . 18297 1 286 . 1 1 26 26 SER CA C 13 59.603 0.10 . 1 . . . A 371 SER CA . 18297 1 287 . 1 1 26 26 SER CB C 13 63.792 0.10 . 1 . . . A 371 SER CB . 18297 1 288 . 1 1 26 26 SER N N 15 116.888 0.10 . 1 . . . A 371 SER N . 18297 1 289 . 1 1 27 27 ALA H H 1 8.836 0.02 . 1 . . . A 372 ALA H . 18297 1 290 . 1 1 27 27 ALA HA H 1 4.228 0.02 . 1 . . . A 372 ALA HA . 18297 1 291 . 1 1 27 27 ALA HB1 H 1 1.509 0.02 . 1 . . . A 372 ALA HB1 . 18297 1 292 . 1 1 27 27 ALA HB2 H 1 1.509 0.02 . 1 . . . A 372 ALA HB2 . 18297 1 293 . 1 1 27 27 ALA HB3 H 1 1.509 0.02 . 1 . . . A 372 ALA HB3 . 18297 1 294 . 1 1 27 27 ALA C C 13 178.538 0.10 . 1 . . . A 372 ALA C . 18297 1 295 . 1 1 27 27 ALA CA C 13 54.491 0.10 . 1 . . . A 372 ALA CA . 18297 1 296 . 1 1 27 27 ALA CB C 13 18.772 0.10 . 1 . . . A 372 ALA CB . 18297 1 297 . 1 1 27 27 ALA N N 15 128.743 0.10 . 1 . . . A 372 ALA N . 18297 1 298 . 1 1 28 28 SER H H 1 8.069 0.02 . 1 . . . A 373 SER H . 18297 1 299 . 1 1 28 28 SER HA H 1 4.426 0.02 . 1 . . . A 373 SER HA . 18297 1 300 . 1 1 28 28 SER HB2 H 1 3.925 0.02 . 2 . . . A 373 SER HB2 . 18297 1 301 . 1 1 28 28 SER HB3 H 1 3.925 0.02 . 2 . . . A 373 SER HB3 . 18297 1 302 . 1 1 28 28 SER C C 13 174.548 0.10 . 1 . . . A 373 SER C . 18297 1 303 . 1 1 28 28 SER CA C 13 59.415 0.10 . 1 . . . A 373 SER CA . 18297 1 304 . 1 1 28 28 SER CB C 13 63.394 0.10 . 1 . . . A 373 SER CB . 18297 1 305 . 1 1 28 28 SER N N 15 110.751 0.10 . 1 . . . A 373 SER N . 18297 1 306 . 1 1 29 29 LEU H H 1 7.547 0.02 . 1 . . . A 374 LEU H . 18297 1 307 . 1 1 29 29 LEU HA H 1 4.465 0.02 . 1 . . . A 374 LEU HA . 18297 1 308 . 1 1 29 29 LEU HB2 H 1 1.650 0.02 . 2 . . . A 374 LEU HB2 . 18297 1 309 . 1 1 29 29 LEU HB3 H 1 1.803 0.02 . 2 . . . A 374 LEU HB3 . 18297 1 310 . 1 1 29 29 LEU HG H 1 1.670 0.02 . 1 . . . A 374 LEU HG . 18297 1 311 . 1 1 29 29 LEU HD11 H 1 1.071 0.02 . 2 . . . A 374 LEU HD11 . 18297 1 312 . 1 1 29 29 LEU HD12 H 1 1.071 0.02 . 2 . . . A 374 LEU HD12 . 18297 1 313 . 1 1 29 29 LEU HD13 H 1 1.071 0.02 . 2 . . . A 374 LEU HD13 . 18297 1 314 . 1 1 29 29 LEU HD21 H 1 1.054 0.02 . 2 . . . A 374 LEU HD21 . 18297 1 315 . 1 1 29 29 LEU HD22 H 1 1.054 0.02 . 2 . . . A 374 LEU HD22 . 18297 1 316 . 1 1 29 29 LEU HD23 H 1 1.054 0.02 . 2 . . . A 374 LEU HD23 . 18297 1 317 . 1 1 29 29 LEU C C 13 175.716 0.10 . 1 . . . A 374 LEU C . 18297 1 318 . 1 1 29 29 LEU CA C 13 56.132 0.10 . 1 . . . A 374 LEU CA . 18297 1 319 . 1 1 29 29 LEU CB C 13 44.295 0.10 . 1 . . . A 374 LEU CB . 18297 1 320 . 1 1 29 29 LEU CG C 13 26.587 0.10 . 1 . . . A 374 LEU CG . 18297 1 321 . 1 1 29 29 LEU CD1 C 13 26.040 0.10 . 2 . . . A 374 LEU CD1 . 18297 1 322 . 1 1 29 29 LEU CD2 C 13 24.243 0.10 . 2 . . . A 374 LEU CD2 . 18297 1 323 . 1 1 29 29 LEU N N 15 122.012 0.10 . 1 . . . A 374 LEU N . 18297 1 324 . 1 1 30 30 GLN H H 1 8.060 0.02 . 1 . . . A 375 GLN H . 18297 1 325 . 1 1 30 30 GLN HA H 1 4.003 0.02 . 1 . . . A 375 GLN HA . 18297 1 326 . 1 1 30 30 GLN HB2 H 1 1.982 0.02 . 2 . . . A 375 GLN HB2 . 18297 1 327 . 1 1 30 30 GLN HB3 H 1 2.153 0.02 . 2 . . . A 375 GLN HB3 . 18297 1 328 . 1 1 30 30 GLN HG2 H 1 2.270 0.02 . 2 . . . A 375 GLN HG2 . 18297 1 329 . 1 1 30 30 GLN HG3 H 1 2.310 0.02 . 2 . . . A 375 GLN HG3 . 18297 1 330 . 1 1 30 30 GLN C C 13 175.498 0.10 . 1 . . . A 375 GLN C . 18297 1 331 . 1 1 30 30 GLN CA C 13 56.434 0.10 . 1 . . . A 375 GLN CA . 18297 1 332 . 1 1 30 30 GLN CB C 13 27.948 0.10 . 1 . . . A 375 GLN CB . 18297 1 333 . 1 1 30 30 GLN CG C 13 34.746 0.10 . 1 . . . A 375 GLN CG . 18297 1 334 . 1 1 30 30 GLN N N 15 116.052 0.10 . 1 . . . A 375 GLN N . 18297 1 335 . 1 1 31 31 MET H H 1 8.211 0.02 . 1 . . . A 376 MET H . 18297 1 336 . 1 1 31 31 MET HA H 1 4.283 0.02 . 1 . . . A 376 MET HA . 18297 1 337 . 1 1 31 31 MET HB2 H 1 1.489 0.02 . 2 . . . A 376 MET HB2 . 18297 1 338 . 1 1 31 31 MET HB3 H 1 1.630 0.02 . 2 . . . A 376 MET HB3 . 18297 1 339 . 1 1 31 31 MET HG2 H 1 1.657 0.02 . 2 . . . A 376 MET HG2 . 18297 1 340 . 1 1 31 31 MET HG3 H 1 1.657 0.02 . 2 . . . A 376 MET HG3 . 18297 1 341 . 1 1 31 31 MET C C 13 175.843 0.10 . 1 . . . A 376 MET C . 18297 1 342 . 1 1 31 31 MET CA C 13 57.728 0.10 . 1 . . . A 376 MET CA . 18297 1 343 . 1 1 31 31 MET CB C 13 33.451 0.10 . 1 . . . A 376 MET CB . 18297 1 344 . 1 1 31 31 MET CG C 13 33.127 0.10 . 1 . . . A 376 MET CG . 18297 1 345 . 1 1 31 31 MET N N 15 117.691 0.10 . 1 . . . A 376 MET N . 18297 1 346 . 1 1 32 32 LYS H H 1 9.461 0.02 . 1 . . . A 377 LYS H . 18297 1 347 . 1 1 32 32 LYS HA H 1 4.414 0.02 . 1 . . . A 377 LYS HA . 18297 1 348 . 1 1 32 32 LYS HB2 H 1 1.794 0.02 . 2 . . . A 377 LYS HB2 . 18297 1 349 . 1 1 32 32 LYS HB3 H 1 1.889 0.02 . 2 . . . A 377 LYS HB3 . 18297 1 350 . 1 1 32 32 LYS HG2 H 1 1.442 0.02 . 2 . . . A 377 LYS HG2 . 18297 1 351 . 1 1 32 32 LYS HG3 H 1 1.492 0.02 . 2 . . . A 377 LYS HG3 . 18297 1 352 . 1 1 32 32 LYS HD2 H 1 1.658 0.02 . 2 . . . A 377 LYS HD2 . 18297 1 353 . 1 1 32 32 LYS HD3 H 1 1.658 0.02 . 2 . . . A 377 LYS HD3 . 18297 1 354 . 1 1 32 32 LYS HE2 H 1 3.011 0.02 . 2 . . . A 377 LYS HE2 . 18297 1 355 . 1 1 32 32 LYS HE3 H 1 3.011 0.02 . 2 . . . A 377 LYS HE3 . 18297 1 356 . 1 1 32 32 LYS C C 13 177.837 0.10 . 1 . . . A 377 LYS C . 18297 1 357 . 1 1 32 32 LYS CA C 13 58.052 0.10 . 1 . . . A 377 LYS CA . 18297 1 358 . 1 1 32 32 LYS CB C 13 34.994 0.10 . 1 . . . A 377 LYS CB . 18297 1 359 . 1 1 32 32 LYS CG C 13 24.946 0.10 . 1 . . . A 377 LYS CG . 18297 1 360 . 1 1 32 32 LYS CD C 13 28.759 0.10 . 1 . . . A 377 LYS CD . 18297 1 361 . 1 1 32 32 LYS CE C 13 42.031 0.10 . 1 . . . A 377 LYS CE . 18297 1 362 . 1 1 32 32 LYS N N 15 122.028 0.10 . 1 . . . A 377 LYS N . 18297 1 363 . 1 1 33 33 SER H H 1 10.101 0.02 . 1 . . . A 378 SER H . 18297 1 364 . 1 1 33 33 SER HA H 1 4.650 0.02 . 1 . . . A 378 SER HA . 18297 1 365 . 1 1 33 33 SER HB2 H 1 3.700 0.02 . 2 . . . A 378 SER HB2 . 18297 1 366 . 1 1 33 33 SER HB3 H 1 3.820 0.02 . 2 . . . A 378 SER HB3 . 18297 1 367 . 1 1 33 33 SER C C 13 172.026 0.10 . 1 . . . A 378 SER C . 18297 1 368 . 1 1 33 33 SER CA C 13 55.038 0.10 . 1 . . . A 378 SER CA . 18297 1 369 . 1 1 33 33 SER CB C 13 62.908 0.10 . 1 . . . A 378 SER CB . 18297 1 370 . 1 1 33 33 SER N N 15 115.056 0.10 . 1 . . . A 378 SER N . 18297 1 371 . 1 1 34 34 PRO HA H 1 5.043 0.02 . 1 . . . A 379 PRO HA . 18297 1 372 . 1 1 34 34 PRO HB2 H 1 1.715 0.02 . 2 . . . A 379 PRO HB2 . 18297 1 373 . 1 1 34 34 PRO HB3 H 1 2.199 0.02 . 2 . . . A 379 PRO HB3 . 18297 1 374 . 1 1 34 34 PRO HG2 H 1 1.676 0.02 . 2 . . . A 379 PRO HG2 . 18297 1 375 . 1 1 34 34 PRO HG3 H 1 1.906 0.02 . 2 . . . A 379 PRO HG3 . 18297 1 376 . 1 1 34 34 PRO HD2 H 1 3.195 0.02 . 2 . . . A 379 PRO HD2 . 18297 1 377 . 1 1 34 34 PRO HD3 H 1 3.584 0.02 . 2 . . . A 379 PRO HD3 . 18297 1 378 . 1 1 34 34 PRO C C 13 175.422 0.10 . 1 . . . A 379 PRO C . 18297 1 379 . 1 1 34 34 PRO CA C 13 63.792 0.10 . 1 . . . A 379 PRO CA . 18297 1 380 . 1 1 34 34 PRO CB C 13 33.703 0.10 . 1 . . . A 379 PRO CB . 18297 1 381 . 1 1 34 34 PRO CG C 13 27.624 0.10 . 1 . . . A 379 PRO CG . 18297 1 382 . 1 1 34 34 PRO CD C 13 49.807 0.10 . 1 . . . A 379 PRO CD . 18297 1 383 . 1 1 35 35 ALA H H 1 8.894 0.02 . 1 . . . A 380 ALA H . 18297 1 384 . 1 1 35 35 ALA HA H 1 5.137 0.02 . 1 . . . A 380 ALA HA . 18297 1 385 . 1 1 35 35 ALA HB1 H 1 1.538 0.02 . 1 . . . A 380 ALA HB1 . 18297 1 386 . 1 1 35 35 ALA HB2 H 1 1.538 0.02 . 1 . . . A 380 ALA HB2 . 18297 1 387 . 1 1 35 35 ALA HB3 H 1 1.538 0.02 . 1 . . . A 380 ALA HB3 . 18297 1 388 . 1 1 35 35 ALA C C 13 177.313 0.10 . 1 . . . A 380 ALA C . 18297 1 389 . 1 1 35 35 ALA CA C 13 50.661 0.10 . 1 . . . A 380 ALA CA . 18297 1 390 . 1 1 35 35 ALA CB C 13 22.118 0.10 . 1 . . . A 380 ALA CB . 18297 1 391 . 1 1 35 35 ALA N N 15 121.498 0.10 . 1 . . . A 380 ALA N . 18297 1 392 . 1 1 36 36 ILE H H 1 9.038 0.02 . 1 . . . A 381 ILE H . 18297 1 393 . 1 1 36 36 ILE HA H 1 4.967 0.02 . 1 . . . A 381 ILE HA . 18297 1 394 . 1 1 36 36 ILE HB H 1 1.763 0.02 . 1 . . . A 381 ILE HB . 18297 1 395 . 1 1 36 36 ILE HG12 H 1 1.697 0.02 . 2 . . . A 381 ILE HG12 . 18297 1 396 . 1 1 36 36 ILE HG13 H 1 1.697 0.02 . 2 . . . A 381 ILE HG13 . 18297 1 397 . 1 1 36 36 ILE HG21 H 1 0.897 0.02 . 1 . . . A 381 ILE HG21 . 18297 1 398 . 1 1 36 36 ILE HG22 H 1 0.897 0.02 . 1 . . . A 381 ILE HG22 . 18297 1 399 . 1 1 36 36 ILE HG23 H 1 0.897 0.02 . 1 . . . A 381 ILE HG23 . 18297 1 400 . 1 1 36 36 ILE HD11 H 1 0.749 0.02 . 1 . . . A 381 ILE HD11 . 18297 1 401 . 1 1 36 36 ILE HD12 H 1 0.749 0.02 . 1 . . . A 381 ILE HD12 . 18297 1 402 . 1 1 36 36 ILE HD13 H 1 0.749 0.02 . 1 . . . A 381 ILE HD13 . 18297 1 403 . 1 1 36 36 ILE C C 13 175.314 0.10 . 1 . . . A 381 ILE C . 18297 1 404 . 1 1 36 36 ILE CA C 13 61.056 0.10 . 1 . . . A 381 ILE CA . 18297 1 405 . 1 1 36 36 ILE CB C 13 41.364 0.10 . 1 . . . A 381 ILE CB . 18297 1 406 . 1 1 36 36 ILE CG1 C 13 27.080 0.10 . 1 . . . A 381 ILE CG1 . 18297 1 407 . 1 1 36 36 ILE CG2 C 13 18.413 0.10 . 1 . . . A 381 ILE CG2 . 18297 1 408 . 1 1 36 36 ILE CD1 C 13 14.195 0.10 . 1 . . . A 381 ILE CD1 . 18297 1 409 . 1 1 36 36 ILE N N 15 120.470 0.10 . 1 . . . A 381 ILE N . 18297 1 410 . 1 1 37 37 THR H H 1 9.363 0.02 . 1 . . . A 382 THR H . 18297 1 411 . 1 1 37 37 THR HA H 1 5.252 0.02 . 1 . . . A 382 THR HA . 18297 1 412 . 1 1 37 37 THR HB H 1 4.197 0.02 . 1 . . . A 382 THR HB . 18297 1 413 . 1 1 37 37 THR HG21 H 1 1.167 0.02 . 1 . . . A 382 THR HG21 . 18297 1 414 . 1 1 37 37 THR HG22 H 1 1.167 0.02 . 1 . . . A 382 THR HG22 . 18297 1 415 . 1 1 37 37 THR HG23 H 1 1.167 0.02 . 1 . . . A 382 THR HG23 . 18297 1 416 . 1 1 37 37 THR C C 13 172.289 0.10 . 1 . . . A 382 THR C . 18297 1 417 . 1 1 37 37 THR CA C 13 60.977 0.10 . 1 . . . A 382 THR CA . 18297 1 418 . 1 1 37 37 THR CB C 13 71.919 0.10 . 1 . . . A 382 THR CB . 18297 1 419 . 1 1 37 37 THR CG2 C 13 21.320 0.10 . 1 . . . A 382 THR CG2 . 18297 1 420 . 1 1 37 37 THR N N 15 123.297 0.10 . 1 . . . A 382 THR N . 18297 1 421 . 1 1 38 38 ALA H H 1 8.896 0.02 . 1 . . . A 383 ALA H . 18297 1 422 . 1 1 38 38 ALA HA H 1 4.935 0.02 . 1 . . . A 383 ALA HA . 18297 1 423 . 1 1 38 38 ALA HB1 H 1 1.353 0.02 . 1 . . . A 383 ALA HB1 . 18297 1 424 . 1 1 38 38 ALA HB2 H 1 1.353 0.02 . 1 . . . A 383 ALA HB2 . 18297 1 425 . 1 1 38 38 ALA HB3 H 1 1.353 0.02 . 1 . . . A 383 ALA HB3 . 18297 1 426 . 1 1 38 38 ALA C C 13 175.743 0.10 . 1 . . . A 383 ALA C . 18297 1 427 . 1 1 38 38 ALA CA C 13 51.147 0.10 . 1 . . . A 383 ALA CA . 18297 1 428 . 1 1 38 38 ALA CB C 13 22.758 0.10 . 1 . . . A 383 ALA CB . 18297 1 429 . 1 1 38 38 ALA N N 15 123.340 0.10 . 1 . . . A 383 ALA N . 18297 1 430 . 1 1 39 39 THR H H 1 8.968 0.02 . 1 . . . A 384 THR H . 18297 1 431 . 1 1 39 39 THR HA H 1 4.892 0.02 . 1 . . . A 384 THR HA . 18297 1 432 . 1 1 39 39 THR HB H 1 4.016 0.02 . 1 . . . A 384 THR HB . 18297 1 433 . 1 1 39 39 THR HG21 H 1 1.028 0.02 . 1 . . . A 384 THR HG21 . 18297 1 434 . 1 1 39 39 THR HG22 H 1 1.028 0.02 . 1 . . . A 384 THR HG22 . 18297 1 435 . 1 1 39 39 THR HG23 H 1 1.028 0.02 . 1 . . . A 384 THR HG23 . 18297 1 436 . 1 1 39 39 THR C C 13 174.098 0.10 . 1 . . . A 384 THR C . 18297 1 437 . 1 1 39 39 THR CA C 13 62.310 0.10 . 1 . . . A 384 THR CA . 18297 1 438 . 1 1 39 39 THR CB C 13 69.263 0.10 . 1 . . . A 384 THR CB . 18297 1 439 . 1 1 39 39 THR CG2 C 13 21.636 0.10 . 1 . . . A 384 THR CG2 . 18297 1 440 . 1 1 39 39 THR N N 15 118.815 0.10 . 1 . . . A 384 THR N . 18297 1 441 . 1 1 40 40 LEU H H 1 8.667 0.02 . 1 . . . A 385 LEU H . 18297 1 442 . 1 1 40 40 LEU HA H 1 4.791 0.02 . 1 . . . A 385 LEU HA . 18297 1 443 . 1 1 40 40 LEU HB2 H 1 1.583 0.02 . 2 . . . A 385 LEU HB2 . 18297 1 444 . 1 1 40 40 LEU HB3 H 1 1.645 0.02 . 2 . . . A 385 LEU HB3 . 18297 1 445 . 1 1 40 40 LEU HG H 1 1.514 0.02 . 1 . . . A 385 LEU HG . 18297 1 446 . 1 1 40 40 LEU HD11 H 1 0.946 0.02 . 2 . . . A 385 LEU HD11 . 18297 1 447 . 1 1 40 40 LEU HD12 H 1 0.946 0.02 . 2 . . . A 385 LEU HD12 . 18297 1 448 . 1 1 40 40 LEU HD13 H 1 0.946 0.02 . 2 . . . A 385 LEU HD13 . 18297 1 449 . 1 1 40 40 LEU C C 13 176.479 0.10 . 1 . . . A 385 LEU C . 18297 1 450 . 1 1 40 40 LEU CA C 13 53.944 0.10 . 1 . . . A 385 LEU CA . 18297 1 451 . 1 1 40 40 LEU CB C 13 44.966 0.10 . 1 . . . A 385 LEU CB . 18297 1 452 . 1 1 40 40 LEU CG C 13 27.157 0.10 . 1 . . . A 385 LEU CG . 18297 1 453 . 1 1 40 40 LEU CD1 C 13 24.881 0.10 . 2 . . . A 385 LEU CD1 . 18297 1 454 . 1 1 40 40 LEU N N 15 128.711 0.10 . 1 . . . A 385 LEU N . 18297 1 455 . 1 1 41 41 GLU H H 1 9.547 0.02 . 1 . . . A 386 GLU H . 18297 1 456 . 1 1 41 41 GLU HA H 1 3.936 0.02 . 1 . . . A 386 GLU HA . 18297 1 457 . 1 1 41 41 GLU HB2 H 1 2.056 0.02 . 2 . . . A 386 GLU HB2 . 18297 1 458 . 1 1 41 41 GLU HB3 H 1 2.254 0.02 . 2 . . . A 386 GLU HB3 . 18297 1 459 . 1 1 41 41 GLU HG2 H 1 2.266 0.02 . 2 . . . A 386 GLU HG2 . 18297 1 460 . 1 1 41 41 GLU HG3 H 1 2.266 0.02 . 2 . . . A 386 GLU HG3 . 18297 1 461 . 1 1 41 41 GLU C C 13 176.878 0.10 . 1 . . . A 386 GLU C . 18297 1 462 . 1 1 41 41 GLU CA C 13 57.226 0.10 . 1 . . . A 386 GLU CA . 18297 1 463 . 1 1 41 41 GLU CB C 13 27.735 0.10 . 1 . . . A 386 GLU CB . 18297 1 464 . 1 1 41 41 GLU CG C 13 36.565 0.10 . 1 . . . A 386 GLU CG . 18297 1 465 . 1 1 41 41 GLU N N 15 124.470 0.10 . 1 . . . A 386 GLU N . 18297 1 466 . 1 1 42 42 GLY H H 1 8.578 0.02 . 1 . . . A 387 GLY H . 18297 1 467 . 1 1 42 42 GLY HA2 H 1 4.152 0.02 . 2 . . . A 387 GLY HA2 . 18297 1 468 . 1 1 42 42 GLY HA3 H 1 3.584 0.02 . 2 . . . A 387 GLY HA3 . 18297 1 469 . 1 1 42 42 GLY C C 13 173.993 0.10 . 1 . . . A 387 GLY C . 18297 1 470 . 1 1 42 42 GLY CA C 13 45.596 0.10 . 1 . . . A 387 GLY CA . 18297 1 471 . 1 1 42 42 GLY N N 15 104.068 0.10 . 1 . . . A 387 GLY N . 18297 1 472 . 1 1 43 43 LYS H H 1 7.826 0.02 . 1 . . . A 388 LYS H . 18297 1 473 . 1 1 43 43 LYS HA H 1 4.701 0.02 . 1 . . . A 388 LYS HA . 18297 1 474 . 1 1 43 43 LYS HB2 H 1 1.826 0.02 . 2 . . . A 388 LYS HB2 . 18297 1 475 . 1 1 43 43 LYS HB3 H 1 1.826 0.02 . 2 . . . A 388 LYS HB3 . 18297 1 476 . 1 1 43 43 LYS HG2 H 1 1.452 0.02 . 2 . . . A 388 LYS HG2 . 18297 1 477 . 1 1 43 43 LYS HG3 H 1 1.452 0.02 . 2 . . . A 388 LYS HG3 . 18297 1 478 . 1 1 43 43 LYS HD2 H 1 1.724 0.02 . 2 . . . A 388 LYS HD2 . 18297 1 479 . 1 1 43 43 LYS HD3 H 1 1.724 0.02 . 2 . . . A 388 LYS HD3 . 18297 1 480 . 1 1 43 43 LYS HE2 H 1 3.063 0.02 . 2 . . . A 388 LYS HE2 . 18297 1 481 . 1 1 43 43 LYS HE3 H 1 3.063 0.02 . 2 . . . A 388 LYS HE3 . 18297 1 482 . 1 1 43 43 LYS C C 13 175.054 0.10 . 1 . . . A 388 LYS C . 18297 1 483 . 1 1 43 43 LYS CA C 13 54.491 0.10 . 1 . . . A 388 LYS CA . 18297 1 484 . 1 1 43 43 LYS CB C 13 34.968 0.10 . 1 . . . A 388 LYS CB . 18297 1 485 . 1 1 43 43 LYS CG C 13 24.552 0.10 . 1 . . . A 388 LYS CG . 18297 1 486 . 1 1 43 43 LYS CD C 13 29.086 0.10 . 1 . . . A 388 LYS CD . 18297 1 487 . 1 1 43 43 LYS CE C 13 42.454 0.10 . 1 . . . A 388 LYS CE . 18297 1 488 . 1 1 43 43 LYS N N 15 120.422 0.10 . 1 . . . A 388 LYS N . 18297 1 489 . 1 1 44 44 ASN H H 1 8.827 0.02 . 1 . . . A 389 ASN H . 18297 1 490 . 1 1 44 44 ASN HA H 1 4.895 0.02 . 1 . . . A 389 ASN HA . 18297 1 491 . 1 1 44 44 ASN HB2 H 1 2.601 0.02 . 2 . . . A 389 ASN HB2 . 18297 1 492 . 1 1 44 44 ASN HB3 H 1 2.722 0.02 . 2 . . . A 389 ASN HB3 . 18297 1 493 . 1 1 44 44 ASN C C 13 174.905 0.10 . 1 . . . A 389 ASN C . 18297 1 494 . 1 1 44 44 ASN CA C 13 53.944 0.10 . 1 . . . A 389 ASN CA . 18297 1 495 . 1 1 44 44 ASN CB C 13 39.229 0.10 . 1 . . . A 389 ASN CB . 18297 1 496 . 1 1 44 44 ASN N N 15 122.606 0.10 . 1 . . . A 389 ASN N . 18297 1 497 . 1 1 45 45 ARG H H 1 9.220 0.02 . 1 . . . A 390 ARG H . 18297 1 498 . 1 1 45 45 ARG HA H 1 4.756 0.02 . 1 . . . A 390 ARG HA . 18297 1 499 . 1 1 45 45 ARG HB2 H 1 1.825 0.02 . 2 . . . A 390 ARG HB2 . 18297 1 500 . 1 1 45 45 ARG HB3 H 1 1.825 0.02 . 2 . . . A 390 ARG HB3 . 18297 1 501 . 1 1 45 45 ARG HG2 H 1 1.612 0.02 . 2 . . . A 390 ARG HG2 . 18297 1 502 . 1 1 45 45 ARG HG3 H 1 1.713 0.02 . 2 . . . A 390 ARG HG3 . 18297 1 503 . 1 1 45 45 ARG HD2 H 1 3.219 0.02 . 2 . . . A 390 ARG HD2 . 18297 1 504 . 1 1 45 45 ARG HD3 H 1 3.219 0.02 . 2 . . . A 390 ARG HD3 . 18297 1 505 . 1 1 45 45 ARG C C 13 175.224 0.10 . 1 . . . A 390 ARG C . 18297 1 506 . 1 1 45 45 ARG CA C 13 54.491 0.10 . 1 . . . A 390 ARG CA . 18297 1 507 . 1 1 45 45 ARG CB C 13 32.973 0.10 . 1 . . . A 390 ARG CB . 18297 1 508 . 1 1 45 45 ARG CG C 13 26.817 0.10 . 1 . . . A 390 ARG CG . 18297 1 509 . 1 1 45 45 ARG CD C 13 43.651 0.10 . 1 . . . A 390 ARG CD . 18297 1 510 . 1 1 45 45 ARG N N 15 125.867 0.10 . 1 . . . A 390 ARG N . 18297 1 511 . 1 1 46 46 THR H H 1 8.940 0.02 . 1 . . . A 391 THR H . 18297 1 512 . 1 1 46 46 THR HA H 1 4.289 0.02 . 1 . . . A 391 THR HA . 18297 1 513 . 1 1 46 46 THR HB H 1 4.008 0.02 . 1 . . . A 391 THR HB . 18297 1 514 . 1 1 46 46 THR HG21 H 1 1.044 0.02 . 1 . . . A 391 THR HG21 . 18297 1 515 . 1 1 46 46 THR HG22 H 1 1.044 0.02 . 1 . . . A 391 THR HG22 . 18297 1 516 . 1 1 46 46 THR HG23 H 1 1.044 0.02 . 1 . . . A 391 THR HG23 . 18297 1 517 . 1 1 46 46 THR C C 13 174.010 0.10 . 1 . . . A 391 THR C . 18297 1 518 . 1 1 46 46 THR CA C 13 63.509 0.10 . 1 . . . A 391 THR CA . 18297 1 519 . 1 1 46 46 THR CB C 13 68.716 0.10 . 1 . . . A 391 THR CB . 18297 1 520 . 1 1 46 46 THR CG2 C 13 22.607 0.10 . 1 . . . A 391 THR CG2 . 18297 1 521 . 1 1 46 46 THR N N 15 122.574 0.10 . 1 . . . A 391 THR N . 18297 1 522 . 1 1 47 47 LEU H H 1 9.096 0.02 . 1 . . . A 392 LEU H . 18297 1 523 . 1 1 47 47 LEU HA H 1 4.339 0.02 . 1 . . . A 392 LEU HA . 18297 1 524 . 1 1 47 47 LEU HB2 H 1 1.658 0.02 . 2 . . . A 392 LEU HB2 . 18297 1 525 . 1 1 47 47 LEU HB3 H 1 1.373 0.02 . 2 . . . A 392 LEU HB3 . 18297 1 526 . 1 1 47 47 LEU HG H 1 1.712 0.02 . 1 . . . A 392 LEU HG . 18297 1 527 . 1 1 47 47 LEU HD11 H 1 0.838 0.02 . 2 . . . A 392 LEU HD11 . 18297 1 528 . 1 1 47 47 LEU HD12 H 1 0.838 0.02 . 2 . . . A 392 LEU HD12 . 18297 1 529 . 1 1 47 47 LEU HD13 H 1 0.838 0.02 . 2 . . . A 392 LEU HD13 . 18297 1 530 . 1 1 47 47 LEU HD21 H 1 0.826 0.02 . 2 . . . A 392 LEU HD21 . 18297 1 531 . 1 1 47 47 LEU HD22 H 1 0.826 0.02 . 2 . . . A 392 LEU HD22 . 18297 1 532 . 1 1 47 47 LEU HD23 H 1 0.826 0.02 . 2 . . . A 392 LEU HD23 . 18297 1 533 . 1 1 47 47 LEU C C 13 176.670 0.10 . 1 . . . A 392 LEU C . 18297 1 534 . 1 1 47 47 LEU CA C 13 56.132 0.10 . 1 . . . A 392 LEU CA . 18297 1 535 . 1 1 47 47 LEU CB C 13 42.678 0.10 . 1 . . . A 392 LEU CB . 18297 1 536 . 1 1 47 47 LEU CG C 13 27.300 0.10 . 1 . . . A 392 LEU CG . 18297 1 537 . 1 1 47 47 LEU CD1 C 13 26.329 0.10 . 2 . . . A 392 LEU CD1 . 18297 1 538 . 1 1 47 47 LEU CD2 C 13 23.092 0.10 . 2 . . . A 392 LEU CD2 . 18297 1 539 . 1 1 47 47 LEU N N 15 128.647 0.10 . 1 . . . A 392 LEU N . 18297 1 540 . 1 1 48 48 TYR H H 1 7.562 0.02 . 1 . . . A 393 TYR H . 18297 1 541 . 1 1 48 48 TYR HA H 1 4.618 0.02 . 1 . . . A 393 TYR HA . 18297 1 542 . 1 1 48 48 TYR HB2 H 1 2.194 0.02 . 2 . . . A 393 TYR HB2 . 18297 1 543 . 1 1 48 48 TYR HB3 H 1 3.362 0.02 . 2 . . . A 393 TYR HB3 . 18297 1 544 . 1 1 48 48 TYR HD1 H 1 7.002 0.02 . 3 . . . A 393 TYR HD1 . 18297 1 545 . 1 1 48 48 TYR HD2 H 1 7.002 0.02 . 3 . . . A 393 TYR HD2 . 18297 1 546 . 1 1 48 48 TYR HE1 H 1 6.788 0.02 . 3 . . . A 393 TYR HE1 . 18297 1 547 . 1 1 48 48 TYR HE2 H 1 6.788 0.02 . 3 . . . A 393 TYR HE2 . 18297 1 548 . 1 1 48 48 TYR C C 13 173.455 0.10 . 1 . . . A 393 TYR C . 18297 1 549 . 1 1 48 48 TYR CA C 13 59.415 0.10 . 1 . . . A 393 TYR CA . 18297 1 550 . 1 1 48 48 TYR CB C 13 41.384 0.10 . 1 . . . A 393 TYR CB . 18297 1 551 . 1 1 48 48 TYR CD1 C 13 132.567 0.10 . 3 . . . A 393 TYR CD1 . 18297 1 552 . 1 1 48 48 TYR CE1 C 13 118.584 0.10 . 3 . . . A 393 TYR CE1 . 18297 1 553 . 1 1 48 48 TYR N N 15 113.514 0.10 . 1 . . . A 393 TYR N . 18297 1 554 . 1 1 57 57 GLU H H 1 8.645 0.02 . 1 . . . A 402 GLU H . 18297 1 555 . 1 1 57 57 GLU N N 15 128.181 0.10 . 1 . . . A 402 GLU N . 18297 1 556 . 1 1 58 58 ARG H H 1 8.278 0.02 . 1 . . . A 403 ARG H . 18297 1 557 . 1 1 58 58 ARG HA H 1 4.302 0.02 . 1 . . . A 403 ARG HA . 18297 1 558 . 1 1 58 58 ARG HB2 H 1 2.052 0.02 . 2 . . . A 403 ARG HB2 . 18297 1 559 . 1 1 58 58 ARG HB3 H 1 2.052 0.02 . 2 . . . A 403 ARG HB3 . 18297 1 560 . 1 1 58 58 ARG HG2 H 1 1.839 0.02 . 2 . . . A 403 ARG HG2 . 18297 1 561 . 1 1 58 58 ARG HG3 H 1 1.839 0.02 . 2 . . . A 403 ARG HG3 . 18297 1 562 . 1 1 58 58 ARG HD2 H 1 3.288 0.02 . 2 . . . A 403 ARG HD2 . 18297 1 563 . 1 1 58 58 ARG HD3 H 1 3.288 0.02 . 2 . . . A 403 ARG HD3 . 18297 1 564 . 1 1 58 58 ARG CA C 13 58.321 0.10 . 1 . . . A 403 ARG CA . 18297 1 565 . 1 1 58 58 ARG CB C 13 31.165 0.10 . 1 . . . A 403 ARG CB . 18297 1 566 . 1 1 58 58 ARG CG C 13 27.624 0.10 . 1 . . . A 403 ARG CG . 18297 1 567 . 1 1 58 58 ARG CD C 13 43.648 0.10 . 1 . . . A 403 ARG CD . 18297 1 568 . 1 1 58 58 ARG N N 15 117.080 0.10 . 1 . . . A 403 ARG N . 18297 1 569 . 1 1 59 59 THR H H 1 8.301 0.02 . 1 . . . A 404 THR H . 18297 1 570 . 1 1 59 59 THR HA H 1 4.932 0.02 . 1 . . . A 404 THR HA . 18297 1 571 . 1 1 59 59 THR HB H 1 4.531 0.02 . 1 . . . A 404 THR HB . 18297 1 572 . 1 1 59 59 THR HG21 H 1 1.158 0.02 . 1 . . . A 404 THR HG21 . 18297 1 573 . 1 1 59 59 THR HG22 H 1 1.158 0.02 . 1 . . . A 404 THR HG22 . 18297 1 574 . 1 1 59 59 THR HG23 H 1 1.158 0.02 . 1 . . . A 404 THR HG23 . 18297 1 575 . 1 1 59 59 THR CG2 C 13 22.609 0.10 . 1 . . . A 404 THR CG2 . 18297 1 576 . 1 1 59 59 THR N N 15 108.390 0.10 . 1 . . . A 404 THR N . 18297 1 577 . 1 1 60 60 ARG H H 1 8.549 0.02 . 1 . . . A 405 ARG H . 18297 1 578 . 1 1 60 60 ARG N N 15 126.639 0.10 . 1 . . . A 405 ARG N . 18297 1 579 . 1 1 61 61 PRO HA H 1 4.431 0.02 . 1 . . . A 406 PRO HA . 18297 1 580 . 1 1 61 61 PRO HB2 H 1 2.473 0.02 . 2 . . . A 406 PRO HB2 . 18297 1 581 . 1 1 61 61 PRO HB3 H 1 1.794 0.02 . 2 . . . A 406 PRO HB3 . 18297 1 582 . 1 1 61 61 PRO HG2 H 1 2.005 0.02 . 2 . . . A 406 PRO HG2 . 18297 1 583 . 1 1 61 61 PRO HG3 H 1 2.127 0.02 . 2 . . . A 406 PRO HG3 . 18297 1 584 . 1 1 61 61 PRO HD2 H 1 3.393 0.02 . 2 . . . A 406 PRO HD2 . 18297 1 585 . 1 1 61 61 PRO HD3 H 1 3.802 0.02 . 2 . . . A 406 PRO HD3 . 18297 1 586 . 1 1 61 61 PRO C C 13 178.434 0.10 . 1 . . . A 406 PRO C . 18297 1 587 . 1 1 61 61 PRO CA C 13 65.980 0.10 . 1 . . . A 406 PRO CA . 18297 1 588 . 1 1 61 61 PRO CB C 13 31.348 0.10 . 1 . . . A 406 PRO CB . 18297 1 589 . 1 1 61 61 PRO CG C 13 28.595 0.10 . 1 . . . A 406 PRO CG . 18297 1 590 . 1 1 61 61 PRO CD C 13 51.808 0.10 . 1 . . . A 406 PRO CD . 18297 1 591 . 1 1 62 62 ASN H H 1 8.481 0.02 . 1 . . . A 407 ASN H . 18297 1 592 . 1 1 62 62 ASN HA H 1 4.390 0.02 . 1 . . . A 407 ASN HA . 18297 1 593 . 1 1 62 62 ASN HB2 H 1 2.669 0.02 . 2 . . . A 407 ASN HB2 . 18297 1 594 . 1 1 62 62 ASN HB3 H 1 3.490 0.02 . 2 . . . A 407 ASN HB3 . 18297 1 595 . 1 1 62 62 ASN C C 13 177.863 0.10 . 1 . . . A 407 ASN C . 18297 1 596 . 1 1 62 62 ASN CA C 13 55.308 0.10 . 1 . . . A 407 ASN CA . 18297 1 597 . 1 1 62 62 ASN CB C 13 37.530 0.10 . 1 . . . A 407 ASN CB . 18297 1 598 . 1 1 62 62 ASN N N 15 114.574 0.10 . 1 . . . A 407 ASN N . 18297 1 599 . 1 1 63 63 LEU H H 1 8.022 0.02 . 1 . . . A 408 LEU H . 18297 1 600 . 1 1 63 63 LEU HA H 1 3.861 0.02 . 1 . . . A 408 LEU HA . 18297 1 601 . 1 1 63 63 LEU HB2 H 1 1.309 0.02 . 2 . . . A 408 LEU HB2 . 18297 1 602 . 1 1 63 63 LEU HB3 H 1 1.870 0.02 . 2 . . . A 408 LEU HB3 . 18297 1 603 . 1 1 63 63 LEU HG H 1 1.341 0.02 . 1 . . . A 408 LEU HG . 18297 1 604 . 1 1 63 63 LEU HD11 H 1 0.476 0.02 . 2 . . . A 408 LEU HD11 . 18297 1 605 . 1 1 63 63 LEU HD12 H 1 0.476 0.02 . 2 . . . A 408 LEU HD12 . 18297 1 606 . 1 1 63 63 LEU HD13 H 1 0.476 0.02 . 2 . . . A 408 LEU HD13 . 18297 1 607 . 1 1 63 63 LEU HD21 H 1 0.098 0.02 . 2 . . . A 408 LEU HD21 . 18297 1 608 . 1 1 63 63 LEU HD22 H 1 0.098 0.02 . 2 . . . A 408 LEU HD22 . 18297 1 609 . 1 1 63 63 LEU HD23 H 1 0.098 0.02 . 2 . . . A 408 LEU HD23 . 18297 1 610 . 1 1 63 63 LEU C C 13 177.708 0.10 . 1 . . . A 408 LEU C . 18297 1 611 . 1 1 63 63 LEU CA C 13 57.667 0.10 . 1 . . . A 408 LEU CA . 18297 1 612 . 1 1 63 63 LEU CB C 13 41.706 0.10 . 1 . . . A 408 LEU CB . 18297 1 613 . 1 1 63 63 LEU CG C 13 26.587 0.10 . 1 . . . A 408 LEU CG . 18297 1 614 . 1 1 63 63 LEU CD1 C 13 24.559 0.10 . 2 . . . A 408 LEU CD1 . 18297 1 615 . 1 1 63 63 LEU CD2 C 13 21.315 0.10 . 2 . . . A 408 LEU CD2 . 18297 1 616 . 1 1 63 63 LEU N N 15 115.667 0.10 . 1 . . . A 408 LEU N . 18297 1 617 . 1 1 64 64 SER H H 1 7.232 0.02 . 1 . . . A 409 SER H . 18297 1 618 . 1 1 64 64 SER HA H 1 4.588 0.02 . 1 . . . A 409 SER HA . 18297 1 619 . 1 1 64 64 SER HB2 H 1 4.007 0.02 . 2 . . . A 409 SER HB2 . 18297 1 620 . 1 1 64 64 SER HB3 H 1 4.047 0.02 . 2 . . . A 409 SER HB3 . 18297 1 621 . 1 1 64 64 SER C C 13 173.870 0.10 . 1 . . . A 409 SER C . 18297 1 622 . 1 1 64 64 SER CA C 13 58.321 0.10 . 1 . . . A 409 SER CA . 18297 1 623 . 1 1 64 64 SER CB C 13 63.855 0.10 . 1 . . . A 409 SER CB . 18297 1 624 . 1 1 64 64 SER N N 15 109.209 0.10 . 1 . . . A 409 SER N . 18297 1 625 . 1 1 65 65 LYS H H 1 7.543 0.02 . 1 . . . A 410 LYS H . 18297 1 626 . 1 1 65 65 LYS HA H 1 4.609 0.02 . 1 . . . A 410 LYS HA . 18297 1 627 . 1 1 65 65 LYS HB2 H 1 1.777 0.02 . 2 . . . A 410 LYS HB2 . 18297 1 628 . 1 1 65 65 LYS HB3 H 1 2.002 0.02 . 2 . . . A 410 LYS HB3 . 18297 1 629 . 1 1 65 65 LYS HG2 H 1 1.481 0.02 . 2 . . . A 410 LYS HG2 . 18297 1 630 . 1 1 65 65 LYS HG3 H 1 1.694 0.02 . 2 . . . A 410 LYS HG3 . 18297 1 631 . 1 1 65 65 LYS HD2 H 1 1.647 0.02 . 2 . . . A 410 LYS HD2 . 18297 1 632 . 1 1 65 65 LYS HD3 H 1 1.647 0.02 . 2 . . . A 410 LYS HD3 . 18297 1 633 . 1 1 65 65 LYS HE2 H 1 2.943 0.02 . 2 . . . A 410 LYS HE2 . 18297 1 634 . 1 1 65 65 LYS HE3 H 1 2.943 0.02 . 2 . . . A 410 LYS HE3 . 18297 1 635 . 1 1 65 65 LYS C C 13 175.946 0.10 . 1 . . . A 410 LYS C . 18297 1 636 . 1 1 65 65 LYS CA C 13 55.463 0.10 . 1 . . . A 410 LYS CA . 18297 1 637 . 1 1 65 65 LYS CB C 13 34.422 0.10 . 1 . . . A 410 LYS CB . 18297 1 638 . 1 1 65 65 LYS CG C 13 26.006 0.10 . 1 . . . A 410 LYS CG . 18297 1 639 . 1 1 65 65 LYS CD C 13 29.243 0.10 . 1 . . . A 410 LYS CD . 18297 1 640 . 1 1 65 65 LYS CE C 13 42.514 0.10 . 1 . . . A 410 LYS CE . 18297 1 641 . 1 1 65 65 LYS N N 15 122.735 0.10 . 1 . . . A 410 LYS N . 18297 1 642 . 1 1 66 66 THR H H 1 8.980 0.02 . 1 . . . A 411 THR H . 18297 1 643 . 1 1 66 66 THR HA H 1 5.003 0.02 . 1 . . . A 411 THR HA . 18297 1 644 . 1 1 66 66 THR HB H 1 4.755 0.02 . 1 . . . A 411 THR HB . 18297 1 645 . 1 1 66 66 THR HG21 H 1 1.242 0.02 . 1 . . . A 411 THR HG21 . 18297 1 646 . 1 1 66 66 THR HG22 H 1 1.242 0.02 . 1 . . . A 411 THR HG22 . 18297 1 647 . 1 1 66 66 THR HG23 H 1 1.242 0.02 . 1 . . . A 411 THR HG23 . 18297 1 648 . 1 1 66 66 THR C C 13 176.038 0.10 . 1 . . . A 411 THR C . 18297 1 649 . 1 1 66 66 THR CA C 13 60.221 0.10 . 1 . . . A 411 THR CA . 18297 1 650 . 1 1 66 66 THR CB C 13 70.956 0.10 . 1 . . . A 411 THR CB . 18297 1 651 . 1 1 66 66 THR CG2 C 13 22.288 0.10 . 1 . . . A 411 THR CG2 . 18297 1 652 . 1 1 66 66 THR N N 15 110.944 0.10 . 1 . . . A 411 THR N . 18297 1 653 . 1 1 67 67 LEU H H 1 8.434 0.02 . 1 . . . A 412 LEU H . 18297 1 654 . 1 1 67 67 LEU HA H 1 3.961 0.02 . 1 . . . A 412 LEU HA . 18297 1 655 . 1 1 67 67 LEU HB2 H 1 2.097 0.02 . 2 . . . A 412 LEU HB2 . 18297 1 656 . 1 1 67 67 LEU HB3 H 1 1.425 0.02 . 2 . . . A 412 LEU HB3 . 18297 1 657 . 1 1 67 67 LEU HG H 1 2.023 0.02 . 1 . . . A 412 LEU HG . 18297 1 658 . 1 1 67 67 LEU HD11 H 1 0.786 0.02 . 2 . . . A 412 LEU HD11 . 18297 1 659 . 1 1 67 67 LEU HD12 H 1 0.786 0.02 . 2 . . . A 412 LEU HD12 . 18297 1 660 . 1 1 67 67 LEU HD13 H 1 0.786 0.02 . 2 . . . A 412 LEU HD13 . 18297 1 661 . 1 1 67 67 LEU HD21 H 1 0.510 0.02 . 2 . . . A 412 LEU HD21 . 18297 1 662 . 1 1 67 67 LEU HD22 H 1 0.510 0.02 . 2 . . . A 412 LEU HD22 . 18297 1 663 . 1 1 67 67 LEU HD23 H 1 0.510 0.02 . 2 . . . A 412 LEU HD23 . 18297 1 664 . 1 1 67 67 LEU C C 13 179.227 0.10 . 1 . . . A 412 LEU C . 18297 1 665 . 1 1 67 67 LEU CA C 13 58.321 0.10 . 1 . . . A 412 LEU CA . 18297 1 666 . 1 1 67 67 LEU CB C 13 39.914 0.10 . 1 . . . A 412 LEU CB . 18297 1 667 . 1 1 67 67 LEU CG C 13 26.170 0.10 . 1 . . . A 412 LEU CG . 18297 1 668 . 1 1 67 67 LEU CD1 C 13 26.168 0.10 . 2 . . . A 412 LEU CD1 . 18297 1 669 . 1 1 67 67 LEU CD2 C 13 20.980 0.10 . 2 . . . A 412 LEU CD2 . 18297 1 670 . 1 1 67 67 LEU N N 15 118.076 0.10 . 1 . . . A 412 LEU N . 18297 1 671 . 1 1 68 68 LYS H H 1 8.171 0.02 . 1 . . . A 413 LYS H . 18297 1 672 . 1 1 68 68 LYS HA H 1 4.285 0.02 . 1 . . . A 413 LYS HA . 18297 1 673 . 1 1 68 68 LYS HB2 H 1 1.682 0.02 . 2 . . . A 413 LYS HB2 . 18297 1 674 . 1 1 68 68 LYS HB3 H 1 1.682 0.02 . 2 . . . A 413 LYS HB3 . 18297 1 675 . 1 1 68 68 LYS HG2 H 1 1.368 0.02 . 2 . . . A 413 LYS HG2 . 18297 1 676 . 1 1 68 68 LYS HG3 H 1 1.435 0.02 . 2 . . . A 413 LYS HG3 . 18297 1 677 . 1 1 68 68 LYS HD2 H 1 1.588 0.02 . 2 . . . A 413 LYS HD2 . 18297 1 678 . 1 1 68 68 LYS HD3 H 1 1.588 0.02 . 2 . . . A 413 LYS HD3 . 18297 1 679 . 1 1 68 68 LYS HE2 H 1 2.910 0.02 . 2 . . . A 413 LYS HE2 . 18297 1 680 . 1 1 68 68 LYS HE3 H 1 2.910 0.02 . 2 . . . A 413 LYS HE3 . 18297 1 681 . 1 1 68 68 LYS C C 13 181.338 0.10 . 1 . . . A 413 LYS C . 18297 1 682 . 1 1 68 68 LYS CA C 13 58.868 0.10 . 1 . . . A 413 LYS CA . 18297 1 683 . 1 1 68 68 LYS CB C 13 32.606 0.10 . 1 . . . A 413 LYS CB . 18297 1 684 . 1 1 68 68 LYS CG C 13 24.599 0.10 . 1 . . . A 413 LYS CG . 18297 1 685 . 1 1 68 68 LYS CD C 13 29.086 0.10 . 1 . . . A 413 LYS CD . 18297 1 686 . 1 1 68 68 LYS CE C 13 42.037 0.10 . 1 . . . A 413 LYS CE . 18297 1 687 . 1 1 68 68 LYS N N 15 116.373 0.10 . 1 . . . A 413 LYS N . 18297 1 688 . 1 1 69 69 GLU H H 1 8.326 0.02 . 1 . . . A 414 GLU H . 18297 1 689 . 1 1 69 69 GLU HA H 1 4.072 0.02 . 1 . . . A 414 GLU HA . 18297 1 690 . 1 1 69 69 GLU HB2 H 1 2.003 0.02 . 2 . . . A 414 GLU HB2 . 18297 1 691 . 1 1 69 69 GLU HB3 H 1 2.444 0.02 . 2 . . . A 414 GLU HB3 . 18297 1 692 . 1 1 69 69 GLU HG2 H 1 2.345 0.02 . 2 . . . A 414 GLU HG2 . 18297 1 693 . 1 1 69 69 GLU HG3 H 1 2.451 0.02 . 2 . . . A 414 GLU HG3 . 18297 1 694 . 1 1 69 69 GLU C C 13 179.202 0.10 . 1 . . . A 414 GLU C . 18297 1 695 . 1 1 69 69 GLU CA C 13 58.868 0.10 . 1 . . . A 414 GLU CA . 18297 1 696 . 1 1 69 69 GLU CB C 13 29.566 0.10 . 1 . . . A 414 GLU CB . 18297 1 697 . 1 1 69 69 GLU CG C 13 37.335 0.10 . 1 . . . A 414 GLU CG . 18297 1 698 . 1 1 69 69 GLU N N 15 123.731 0.10 . 1 . . . A 414 GLU N . 18297 1 699 . 1 1 70 70 LEU H H 1 7.993 0.02 . 1 . . . A 415 LEU H . 18297 1 700 . 1 1 70 70 LEU HA H 1 4.218 0.02 . 1 . . . A 415 LEU HA . 18297 1 701 . 1 1 70 70 LEU HB2 H 1 1.466 0.02 . 2 . . . A 415 LEU HB2 . 18297 1 702 . 1 1 70 70 LEU HB3 H 1 2.026 0.02 . 2 . . . A 415 LEU HB3 . 18297 1 703 . 1 1 70 70 LEU HG H 1 1.837 0.02 . 1 . . . A 415 LEU HG . 18297 1 704 . 1 1 70 70 LEU HD11 H 1 0.892 0.02 . 2 . . . A 415 LEU HD11 . 18297 1 705 . 1 1 70 70 LEU HD12 H 1 0.892 0.02 . 2 . . . A 415 LEU HD12 . 18297 1 706 . 1 1 70 70 LEU HD13 H 1 0.892 0.02 . 2 . . . A 415 LEU HD13 . 18297 1 707 . 1 1 70 70 LEU HD21 H 1 0.882 0.02 . 2 . . . A 415 LEU HD21 . 18297 1 708 . 1 1 70 70 LEU HD22 H 1 0.882 0.02 . 2 . . . A 415 LEU HD22 . 18297 1 709 . 1 1 70 70 LEU HD23 H 1 0.882 0.02 . 2 . . . A 415 LEU HD23 . 18297 1 710 . 1 1 70 70 LEU C C 13 176.505 0.10 . 1 . . . A 415 LEU C . 18297 1 711 . 1 1 70 70 LEU CA C 13 55.822 0.10 . 1 . . . A 415 LEU CA . 18297 1 712 . 1 1 70 70 LEU CB C 13 43.012 0.10 . 1 . . . A 415 LEU CB . 18297 1 713 . 1 1 70 70 LEU CG C 13 26.510 0.10 . 1 . . . A 415 LEU CG . 18297 1 714 . 1 1 70 70 LEU CD1 C 13 27.792 0.10 . 2 . . . A 415 LEU CD1 . 18297 1 715 . 1 1 70 70 LEU CD2 C 13 23.258 0.10 . 2 . . . A 415 LEU CD2 . 18297 1 716 . 1 1 70 70 LEU N N 15 119.008 0.10 . 1 . . . A 415 LEU N . 18297 1 717 . 1 1 71 71 GLY H H 1 7.880 0.02 . 1 . . . A 416 GLY H . 18297 1 718 . 1 1 71 71 GLY HA2 H 1 3.759 0.02 . 2 . . . A 416 GLY HA2 . 18297 1 719 . 1 1 71 71 GLY HA3 H 1 4.229 0.02 . 2 . . . A 416 GLY HA3 . 18297 1 720 . 1 1 71 71 GLY C C 13 174.505 0.10 . 1 . . . A 416 GLY C . 18297 1 721 . 1 1 71 71 GLY CA C 13 45.191 0.10 . 1 . . . A 416 GLY CA . 18297 1 722 . 1 1 71 71 GLY N N 15 105.578 0.10 . 1 . . . A 416 GLY N . 18297 1 723 . 1 1 72 72 LEU H H 1 7.466 0.02 . 1 . . . A 417 LEU H . 18297 1 724 . 1 1 72 72 LEU HA H 1 4.599 0.02 . 1 . . . A 417 LEU HA . 18297 1 725 . 1 1 72 72 LEU HB2 H 1 1.735 0.02 . 2 . . . A 417 LEU HB2 . 18297 1 726 . 1 1 72 72 LEU HB3 H 1 1.207 0.02 . 2 . . . A 417 LEU HB3 . 18297 1 727 . 1 1 72 72 LEU HD21 H 1 0.705 0.02 . 2 . . . A 417 LEU HD21 . 18297 1 728 . 1 1 72 72 LEU HD22 H 1 0.705 0.02 . 2 . . . A 417 LEU HD22 . 18297 1 729 . 1 1 72 72 LEU HD23 H 1 0.705 0.02 . 2 . . . A 417 LEU HD23 . 18297 1 730 . 1 1 72 72 LEU C C 13 176.208 0.10 . 1 . . . A 417 LEU C . 18297 1 731 . 1 1 72 72 LEU CA C 13 54.815 0.10 . 1 . . . A 417 LEU CA . 18297 1 732 . 1 1 72 72 LEU CB C 13 41.867 0.10 . 1 . . . A 417 LEU CB . 18297 1 733 . 1 1 72 72 LEU CD2 C 13 23.416 0.10 . 2 . . . A 417 LEU CD2 . 18297 1 734 . 1 1 72 72 LEU N N 15 119.201 0.10 . 1 . . . A 417 LEU N . 18297 1 735 . 1 1 73 73 VAL H H 1 8.003 0.02 . 1 . . . A 418 VAL H . 18297 1 736 . 1 1 73 73 VAL HA H 1 4.782 0.02 . 1 . . . A 418 VAL HA . 18297 1 737 . 1 1 73 73 VAL HB H 1 2.250 0.02 . 1 . . . A 418 VAL HB . 18297 1 738 . 1 1 73 73 VAL HG11 H 1 0.992 0.02 . 2 . . . A 418 VAL HG11 . 18297 1 739 . 1 1 73 73 VAL HG12 H 1 0.992 0.02 . 2 . . . A 418 VAL HG12 . 18297 1 740 . 1 1 73 73 VAL HG13 H 1 0.992 0.02 . 2 . . . A 418 VAL HG13 . 18297 1 741 . 1 1 73 73 VAL HG21 H 1 0.820 0.02 . 2 . . . A 418 VAL HG21 . 18297 1 742 . 1 1 73 73 VAL HG22 H 1 0.820 0.02 . 2 . . . A 418 VAL HG22 . 18297 1 743 . 1 1 73 73 VAL HG23 H 1 0.820 0.02 . 2 . . . A 418 VAL HG23 . 18297 1 744 . 1 1 73 73 VAL C C 13 174.804 0.10 . 1 . . . A 418 VAL C . 18297 1 745 . 1 1 73 73 VAL CA C 13 59.070 0.10 . 1 . . . A 418 VAL CA . 18297 1 746 . 1 1 73 73 VAL CB C 13 35.557 0.10 . 1 . . . A 418 VAL CB . 18297 1 747 . 1 1 73 73 VAL CG1 C 13 21.376 0.10 . 2 . . . A 418 VAL CG1 . 18297 1 748 . 1 1 73 73 VAL CG2 C 13 18.448 0.10 . 2 . . . A 418 VAL CG2 . 18297 1 749 . 1 1 73 73 VAL N N 15 112.871 0.10 . 1 . . . A 418 VAL N . 18297 1 750 . 1 1 74 74 ASP H H 1 8.250 0.02 . 1 . . . A 419 ASP H . 18297 1 751 . 1 1 74 74 ASP HA H 1 3.593 0.02 . 1 . . . A 419 ASP HA . 18297 1 752 . 1 1 74 74 ASP HB2 H 1 2.711 0.02 . 2 . . . A 419 ASP HB2 . 18297 1 753 . 1 1 74 74 ASP HB3 H 1 2.644 0.02 . 2 . . . A 419 ASP HB3 . 18297 1 754 . 1 1 74 74 ASP C C 13 177.545 0.10 . 1 . . . A 419 ASP C . 18297 1 755 . 1 1 74 74 ASP CA C 13 56.419 0.10 . 1 . . . A 419 ASP CA . 18297 1 756 . 1 1 74 74 ASP CB C 13 42.035 0.10 . 1 . . . A 419 ASP CB . 18297 1 757 . 1 1 74 74 ASP N N 15 119.972 0.10 . 1 . . . A 419 ASP N . 18297 1 758 . 1 1 75 75 GLY H H 1 8.704 0.02 . 1 . . . A 420 GLY H . 18297 1 759 . 1 1 75 75 GLY HA2 H 1 4.218 0.02 . 2 . . . A 420 GLY HA2 . 18297 1 760 . 1 1 75 75 GLY HA3 H 1 3.246 0.02 . 2 . . . A 420 GLY HA3 . 18297 1 761 . 1 1 75 75 GLY C C 13 173.763 0.10 . 1 . . . A 420 GLY C . 18297 1 762 . 1 1 75 75 GLY CA C 13 45.354 0.10 . 1 . . . A 420 GLY CA . 18297 1 763 . 1 1 75 75 GLY N N 15 116.020 0.10 . 1 . . . A 420 GLY N . 18297 1 764 . 1 1 76 76 GLN H H 1 7.867 0.02 . 1 . . . A 421 GLN H . 18297 1 765 . 1 1 76 76 GLN HA H 1 4.048 0.02 . 1 . . . A 421 GLN HA . 18297 1 766 . 1 1 76 76 GLN HB2 H 1 1.902 0.02 . 2 . . . A 421 GLN HB2 . 18297 1 767 . 1 1 76 76 GLN HB3 H 1 2.664 0.02 . 2 . . . A 421 GLN HB3 . 18297 1 768 . 1 1 76 76 GLN HG2 H 1 2.443 0.02 . 2 . . . A 421 GLN HG2 . 18297 1 769 . 1 1 76 76 GLN HG3 H 1 2.443 0.02 . 2 . . . A 421 GLN HG3 . 18297 1 770 . 1 1 76 76 GLN C C 13 175.023 0.10 . 1 . . . A 421 GLN C . 18297 1 771 . 1 1 76 76 GLN CA C 13 56.709 0.10 . 1 . . . A 421 GLN CA . 18297 1 772 . 1 1 76 76 GLN CB C 13 29.511 0.10 . 1 . . . A 421 GLN CB . 18297 1 773 . 1 1 76 76 GLN CG C 13 33.615 0.10 . 1 . . . A 421 GLN CG . 18297 1 774 . 1 1 76 76 GLN N N 15 121.514 0.10 . 1 . . . A 421 GLN N . 18297 1 775 . 1 1 77 77 GLU H H 1 8.568 0.02 . 1 . . . A 422 GLU H . 18297 1 776 . 1 1 77 77 GLU HA H 1 5.186 0.02 . 1 . . . A 422 GLU HA . 18297 1 777 . 1 1 77 77 GLU HB2 H 1 2.055 0.02 . 2 . . . A 422 GLU HB2 . 18297 1 778 . 1 1 77 77 GLU HB3 H 1 1.990 0.02 . 2 . . . A 422 GLU HB3 . 18297 1 779 . 1 1 77 77 GLU HG2 H 1 2.057 0.02 . 2 . . . A 422 GLU HG2 . 18297 1 780 . 1 1 77 77 GLU HG3 H 1 2.353 0.02 . 2 . . . A 422 GLU HG3 . 18297 1 781 . 1 1 77 77 GLU C C 13 176.877 0.10 . 1 . . . A 422 GLU C . 18297 1 782 . 1 1 77 77 GLU CA C 13 55.786 0.10 . 1 . . . A 422 GLU CA . 18297 1 783 . 1 1 77 77 GLU CB C 13 31.509 0.10 . 1 . . . A 422 GLU CB . 18297 1 784 . 1 1 77 77 GLU CG C 13 37.530 0.10 . 1 . . . A 422 GLU CG . 18297 1 785 . 1 1 77 77 GLU N N 15 123.859 0.10 . 1 . . . A 422 GLU N . 18297 1 786 . 1 1 78 78 LEU H H 1 9.313 0.02 . 1 . . . A 423 LEU H . 18297 1 787 . 1 1 78 78 LEU HA H 1 5.080 0.02 . 1 . . . A 423 LEU HA . 18297 1 788 . 1 1 78 78 LEU HB2 H 1 1.407 0.02 . 2 . . . A 423 LEU HB2 . 18297 1 789 . 1 1 78 78 LEU HB3 H 1 1.712 0.02 . 2 . . . A 423 LEU HB3 . 18297 1 790 . 1 1 78 78 LEU HG H 1 1.711 0.02 . 1 . . . A 423 LEU HG . 18297 1 791 . 1 1 78 78 LEU HD11 H 1 0.718 0.02 . 2 . . . A 423 LEU HD11 . 18297 1 792 . 1 1 78 78 LEU HD12 H 1 0.718 0.02 . 2 . . . A 423 LEU HD12 . 18297 1 793 . 1 1 78 78 LEU HD13 H 1 0.718 0.02 . 2 . . . A 423 LEU HD13 . 18297 1 794 . 1 1 78 78 LEU HD21 H 1 0.767 0.02 . 2 . . . A 423 LEU HD21 . 18297 1 795 . 1 1 78 78 LEU HD22 H 1 0.767 0.02 . 2 . . . A 423 LEU HD22 . 18297 1 796 . 1 1 78 78 LEU HD23 H 1 0.767 0.02 . 2 . . . A 423 LEU HD23 . 18297 1 797 . 1 1 78 78 LEU C C 13 174.470 0.10 . 1 . . . A 423 LEU C . 18297 1 798 . 1 1 78 78 LEU CA C 13 53.686 0.10 . 1 . . . A 423 LEU CA . 18297 1 799 . 1 1 78 78 LEU CB C 13 44.966 0.10 . 1 . . . A 423 LEU CB . 18297 1 800 . 1 1 78 78 LEU CG C 13 27.140 0.10 . 1 . . . A 423 LEU CG . 18297 1 801 . 1 1 78 78 LEU CD1 C 13 24.946 0.10 . 2 . . . A 423 LEU CD1 . 18297 1 802 . 1 1 78 78 LEU CD2 C 13 24.232 0.10 . 2 . . . A 423 LEU CD2 . 18297 1 803 . 1 1 78 78 LEU N N 15 125.867 0.10 . 1 . . . A 423 LEU N . 18297 1 804 . 1 1 79 79 ALA H H 1 8.918 0.02 . 1 . . . A 424 ALA H . 18297 1 805 . 1 1 79 79 ALA HA H 1 5.206 0.02 . 1 . . . A 424 ALA HA . 18297 1 806 . 1 1 79 79 ALA HB1 H 1 1.255 0.02 . 1 . . . A 424 ALA HB1 . 18297 1 807 . 1 1 79 79 ALA HB2 H 1 1.255 0.02 . 1 . . . A 424 ALA HB2 . 18297 1 808 . 1 1 79 79 ALA HB3 H 1 1.255 0.02 . 1 . . . A 424 ALA HB3 . 18297 1 809 . 1 1 79 79 ALA C C 13 176.786 0.10 . 1 . . . A 424 ALA C . 18297 1 810 . 1 1 79 79 ALA CA C 13 51.049 0.10 . 1 . . . A 424 ALA CA . 18297 1 811 . 1 1 79 79 ALA CB C 13 20.453 0.10 . 1 . . . A 424 ALA CB . 18297 1 812 . 1 1 79 79 ALA N N 15 126.044 0.10 . 1 . . . A 424 ALA N . 18297 1 813 . 1 1 80 80 VAL H H 1 9.357 0.02 . 1 . . . A 425 VAL H . 18297 1 814 . 1 1 80 80 VAL HA H 1 5.344 0.02 . 1 . . . A 425 VAL HA . 18297 1 815 . 1 1 80 80 VAL HB H 1 2.258 0.02 . 1 . . . A 425 VAL HB . 18297 1 816 . 1 1 80 80 VAL HG11 H 1 1.057 0.02 . 2 . . . A 425 VAL HG11 . 18297 1 817 . 1 1 80 80 VAL HG12 H 1 1.057 0.02 . 2 . . . A 425 VAL HG12 . 18297 1 818 . 1 1 80 80 VAL HG13 H 1 1.057 0.02 . 2 . . . A 425 VAL HG13 . 18297 1 819 . 1 1 80 80 VAL C C 13 173.757 0.10 . 1 . . . A 425 VAL C . 18297 1 820 . 1 1 80 80 VAL CA C 13 60.886 0.10 . 1 . . . A 425 VAL CA . 18297 1 821 . 1 1 80 80 VAL CB C 13 34.908 0.10 . 1 . . . A 425 VAL CB . 18297 1 822 . 1 1 80 80 VAL CG1 C 13 23.416 0.10 . 2 . . . A 425 VAL CG1 . 18297 1 823 . 1 1 80 80 VAL N N 15 124.759 0.10 . 1 . . . A 425 VAL N . 18297 1 824 . 1 1 81 81 ALA H H 1 8.502 0.02 . 1 . . . A 426 ALA H . 18297 1 825 . 1 1 81 81 ALA HA H 1 5.045 0.02 . 1 . . . A 426 ALA HA . 18297 1 826 . 1 1 81 81 ALA HB1 H 1 1.419 0.02 . 1 . . . A 426 ALA HB1 . 18297 1 827 . 1 1 81 81 ALA HB2 H 1 1.419 0.02 . 1 . . . A 426 ALA HB2 . 18297 1 828 . 1 1 81 81 ALA HB3 H 1 1.419 0.02 . 1 . . . A 426 ALA HB3 . 18297 1 829 . 1 1 81 81 ALA C C 13 175.938 0.10 . 1 . . . A 426 ALA C . 18297 1 830 . 1 1 81 81 ALA CA C 13 50.133 0.10 . 1 . . . A 426 ALA CA . 18297 1 831 . 1 1 81 81 ALA CB C 13 22.758 0.10 . 1 . . . A 426 ALA CB . 18297 1 832 . 1 1 81 81 ALA N N 15 129.353 0.10 . 1 . . . A 426 ALA N . 18297 1 833 . 1 1 82 82 ASP H H 1 8.906 0.02 . 1 . . . A 427 ASP H . 18297 1 834 . 1 1 82 82 ASP HA H 1 5.100 0.02 . 1 . . . A 427 ASP HA . 18297 1 835 . 1 1 82 82 ASP HB2 H 1 2.520 0.02 . 2 . . . A 427 ASP HB2 . 18297 1 836 . 1 1 82 82 ASP HB3 H 1 2.995 0.02 . 2 . . . A 427 ASP HB3 . 18297 1 837 . 1 1 82 82 ASP C C 13 176.669 0.10 . 1 . . . A 427 ASP C . 18297 1 838 . 1 1 82 82 ASP CA C 13 54.491 0.10 . 1 . . . A 427 ASP CA . 18297 1 839 . 1 1 82 82 ASP CB C 13 46.891 0.10 . 1 . . . A 427 ASP CB . 18297 1 840 . 1 1 82 82 ASP N N 15 120.165 0.10 . 1 . . . A 427 ASP N . 18297 1 841 . 1 1 83 83 VAL H H 1 8.114 0.02 . 1 . . . A 428 VAL H . 18297 1 842 . 1 1 83 83 VAL HA H 1 4.153 0.02 . 1 . . . A 428 VAL HA . 18297 1 843 . 1 1 83 83 VAL HB H 1 2.291 0.02 . 1 . . . A 428 VAL HB . 18297 1 844 . 1 1 83 83 VAL HG11 H 1 1.078 0.02 . 2 . . . A 428 VAL HG11 . 18297 1 845 . 1 1 83 83 VAL HG12 H 1 1.078 0.02 . 2 . . . A 428 VAL HG12 . 18297 1 846 . 1 1 83 83 VAL HG13 H 1 1.078 0.02 . 2 . . . A 428 VAL HG13 . 18297 1 847 . 1 1 83 83 VAL HG21 H 1 1.044 0.02 . 2 . . . A 428 VAL HG21 . 18297 1 848 . 1 1 83 83 VAL HG22 H 1 1.044 0.02 . 2 . . . A 428 VAL HG22 . 18297 1 849 . 1 1 83 83 VAL HG23 H 1 1.044 0.02 . 2 . . . A 428 VAL HG23 . 18297 1 850 . 1 1 83 83 VAL C C 13 177.085 0.10 . 1 . . . A 428 VAL C . 18297 1 851 . 1 1 83 83 VAL CA C 13 63.992 0.10 . 1 . . . A 428 VAL CA . 18297 1 852 . 1 1 83 83 VAL CB C 13 31.772 0.10 . 1 . . . A 428 VAL CB . 18297 1 853 . 1 1 83 83 VAL CG1 C 13 20.990 0.10 . 2 . . . A 428 VAL CG1 . 18297 1 854 . 1 1 83 83 VAL CG2 C 13 20.350 0.10 . 2 . . . A 428 VAL CG2 . 18297 1 855 . 1 1 83 83 VAL N N 15 119.201 0.10 . 1 . . . A 428 VAL N . 18297 1 856 . 1 1 84 84 THR H H 1 7.899 0.02 . 1 . . . A 429 THR H . 18297 1 857 . 1 1 84 84 THR HA H 1 4.235 0.02 . 1 . . . A 429 THR HA . 18297 1 858 . 1 1 84 84 THR HB H 1 4.461 0.02 . 1 . . . A 429 THR HB . 18297 1 859 . 1 1 84 84 THR HG21 H 1 1.451 0.02 . 1 . . . A 429 THR HG21 . 18297 1 860 . 1 1 84 84 THR HG22 H 1 1.451 0.02 . 1 . . . A 429 THR HG22 . 18297 1 861 . 1 1 84 84 THR HG23 H 1 1.451 0.02 . 1 . . . A 429 THR HG23 . 18297 1 862 . 1 1 84 84 THR C C 13 174.905 0.10 . 1 . . . A 429 THR C . 18297 1 863 . 1 1 84 84 THR CA C 13 63.533 0.10 . 1 . . . A 429 THR CA . 18297 1 864 . 1 1 84 84 THR CB C 13 70.613 0.10 . 1 . . . A 429 THR CB . 18297 1 865 . 1 1 84 84 THR CG2 C 13 22.290 0.10 . 1 . . . A 429 THR CG2 . 18297 1 866 . 1 1 84 84 THR N N 15 110.173 0.10 . 1 . . . A 429 THR N . 18297 1 867 . 1 1 85 85 THR H H 1 7.810 0.02 . 1 . . . A 430 THR H . 18297 1 868 . 1 1 85 85 THR HA H 1 5.132 0.02 . 1 . . . A 430 THR HA . 18297 1 869 . 1 1 85 85 THR HB H 1 4.321 0.02 . 1 . . . A 430 THR HB . 18297 1 870 . 1 1 85 85 THR HG21 H 1 1.320 0.02 . 1 . . . A 430 THR HG21 . 18297 1 871 . 1 1 85 85 THR HG22 H 1 1.320 0.02 . 1 . . . A 430 THR HG22 . 18297 1 872 . 1 1 85 85 THR HG23 H 1 1.320 0.02 . 1 . . . A 430 THR HG23 . 18297 1 873 . 1 1 85 85 THR C C 13 173.160 0.10 . 1 . . . A 430 THR C . 18297 1 874 . 1 1 85 85 THR CA C 13 57.863 0.10 . 1 . . . A 430 THR CA . 18297 1 875 . 1 1 85 85 THR CB C 13 71.050 0.10 . 1 . . . A 430 THR CB . 18297 1 876 . 1 1 85 85 THR CG2 C 13 20.635 0.10 . 1 . . . A 430 THR CG2 . 18297 1 877 . 1 1 85 85 THR N N 15 116.438 0.10 . 1 . . . A 430 THR N . 18297 1 878 . 1 1 86 86 PRO HA H 1 4.582 0.02 . 1 . . . A 431 PRO HA . 18297 1 879 . 1 1 86 86 PRO HB2 H 1 2.293 0.02 . 2 . . . A 431 PRO HB2 . 18297 1 880 . 1 1 86 86 PRO HB3 H 1 2.086 0.02 . 2 . . . A 431 PRO HB3 . 18297 1 881 . 1 1 86 86 PRO HG2 H 1 2.066 0.02 . 2 . . . A 431 PRO HG2 . 18297 1 882 . 1 1 86 86 PRO HG3 H 1 2.066 0.02 . 2 . . . A 431 PRO HG3 . 18297 1 883 . 1 1 86 86 PRO HD2 H 1 3.844 0.02 . 2 . . . A 431 PRO HD2 . 18297 1 884 . 1 1 86 86 PRO HD3 H 1 3.957 0.02 . 2 . . . A 431 PRO HD3 . 18297 1 885 . 1 1 86 86 PRO CA C 13 64.086 0.10 . 1 . . . A 431 PRO CA . 18297 1 886 . 1 1 86 86 PRO CB C 13 31.995 0.10 . 1 . . . A 431 PRO CB . 18297 1 887 . 1 1 86 86 PRO CG C 13 27.147 0.10 . 1 . . . A 431 PRO CG . 18297 1 888 . 1 1 86 86 PRO CD C 13 51.101 0.10 . 1 . . . A 431 PRO CD . 18297 1 889 . 1 1 87 87 GLN H H 1 7.786 0.02 . 1 . . . A 432 GLN H . 18297 1 890 . 1 1 87 87 GLN HA H 1 4.618 0.02 . 1 . . . A 432 GLN HA . 18297 1 891 . 1 1 87 87 GLN HB2 H 1 1.999 0.02 . 2 . . . A 432 GLN HB2 . 18297 1 892 . 1 1 87 87 GLN HB3 H 1 2.126 0.02 . 2 . . . A 432 GLN HB3 . 18297 1 893 . 1 1 87 87 GLN HG2 H 1 2.352 0.02 . 2 . . . A 432 GLN HG2 . 18297 1 894 . 1 1 87 87 GLN HG3 H 1 2.352 0.02 . 2 . . . A 432 GLN HG3 . 18297 1 895 . 1 1 87 87 GLN C C 13 175.653 0.10 . 1 . . . A 432 GLN C . 18297 1 896 . 1 1 87 87 GLN CA C 13 54.491 0.10 . 1 . . . A 432 GLN CA . 18297 1 897 . 1 1 87 87 GLN CB C 13 30.799 0.10 . 1 . . . A 432 GLN CB . 18297 1 898 . 1 1 87 87 GLN CG C 13 33.290 0.10 . 1 . . . A 432 GLN CG . 18297 1 899 . 1 1 87 87 GLN N N 15 117.241 0.10 . 1 . . . A 432 GLN N . 18297 1 900 . 1 1 88 88 THR H H 1 8.460 0.02 . 1 . . . A 433 THR H . 18297 1 901 . 1 1 88 88 THR HA H 1 4.440 0.02 . 1 . . . A 433 THR HA . 18297 1 902 . 1 1 88 88 THR HB H 1 3.992 0.02 . 1 . . . A 433 THR HB . 18297 1 903 . 1 1 88 88 THR HG21 H 1 1.145 0.02 . 1 . . . A 433 THR HG21 . 18297 1 904 . 1 1 88 88 THR HG22 H 1 1.145 0.02 . 1 . . . A 433 THR HG22 . 18297 1 905 . 1 1 88 88 THR HG23 H 1 1.145 0.02 . 1 . . . A 433 THR HG23 . 18297 1 906 . 1 1 88 88 THR C C 13 173.939 0.10 . 1 . . . A 433 THR C . 18297 1 907 . 1 1 88 88 THR CA C 13 63.792 0.10 . 1 . . . A 433 THR CA . 18297 1 908 . 1 1 88 88 THR CB C 13 70.357 0.10 . 1 . . . A 433 THR CB . 18297 1 909 . 1 1 88 88 THR CG2 C 13 22.285 0.10 . 1 . . . A 433 THR CG2 . 18297 1 910 . 1 1 88 88 THR N N 15 119.651 0.10 . 1 . . . A 433 THR N . 18297 1 911 . 1 1 89 89 VAL H H 1 9.275 0.02 . 1 . . . A 434 VAL H . 18297 1 912 . 1 1 89 89 VAL HA H 1 4.153 0.02 . 1 . . . A 434 VAL HA . 18297 1 913 . 1 1 89 89 VAL HB H 1 1.956 0.02 . 1 . . . A 434 VAL HB . 18297 1 914 . 1 1 89 89 VAL HG11 H 1 0.623 0.02 . 2 . . . A 434 VAL HG11 . 18297 1 915 . 1 1 89 89 VAL HG12 H 1 0.623 0.02 . 2 . . . A 434 VAL HG12 . 18297 1 916 . 1 1 89 89 VAL HG13 H 1 0.623 0.02 . 2 . . . A 434 VAL HG13 . 18297 1 917 . 1 1 89 89 VAL HG21 H 1 0.964 0.02 . 2 . . . A 434 VAL HG21 . 18297 1 918 . 1 1 89 89 VAL HG22 H 1 0.964 0.02 . 2 . . . A 434 VAL HG22 . 18297 1 919 . 1 1 89 89 VAL HG23 H 1 0.964 0.02 . 2 . . . A 434 VAL HG23 . 18297 1 920 . 1 1 89 89 VAL C C 13 174.083 0.10 . 1 . . . A 434 VAL C . 18297 1 921 . 1 1 89 89 VAL CA C 13 61.827 0.10 . 1 . . . A 434 VAL CA . 18297 1 922 . 1 1 89 89 VAL CB C 13 33.937 0.10 . 1 . . . A 434 VAL CB . 18297 1 923 . 1 1 89 89 VAL CG1 C 13 22.445 0.10 . 2 . . . A 434 VAL CG1 . 18297 1 924 . 1 1 89 89 VAL CG2 C 13 21.390 0.10 . 2 . . . A 434 VAL CG2 . 18297 1 925 . 1 1 89 89 VAL N N 15 128.068 0.10 . 1 . . . A 434 VAL N . 18297 1 926 . 1 1 90 90 LEU H H 1 8.169 0.02 . 1 . . . A 435 LEU H . 18297 1 927 . 1 1 90 90 LEU HA H 1 5.304 0.02 . 1 . . . A 435 LEU HA . 18297 1 928 . 1 1 90 90 LEU HB2 H 1 1.270 0.02 . 2 . . . A 435 LEU HB2 . 18297 1 929 . 1 1 90 90 LEU HB3 H 1 1.549 0.02 . 2 . . . A 435 LEU HB3 . 18297 1 930 . 1 1 90 90 LEU HG H 1 1.565 0.02 . 1 . . . A 435 LEU HG . 18297 1 931 . 1 1 90 90 LEU HD11 H 1 0.896 0.02 . 2 . . . A 435 LEU HD11 . 18297 1 932 . 1 1 90 90 LEU HD12 H 1 0.896 0.02 . 2 . . . A 435 LEU HD12 . 18297 1 933 . 1 1 90 90 LEU HD13 H 1 0.896 0.02 . 2 . . . A 435 LEU HD13 . 18297 1 934 . 1 1 90 90 LEU HD21 H 1 0.832 0.02 . 2 . . . A 435 LEU HD21 . 18297 1 935 . 1 1 90 90 LEU HD22 H 1 0.832 0.02 . 2 . . . A 435 LEU HD22 . 18297 1 936 . 1 1 90 90 LEU HD23 H 1 0.832 0.02 . 2 . . . A 435 LEU HD23 . 18297 1 937 . 1 1 90 90 LEU C C 13 176.455 0.10 . 1 . . . A 435 LEU C . 18297 1 938 . 1 1 90 90 LEU CA C 13 53.396 0.10 . 1 . . . A 435 LEU CA . 18297 1 939 . 1 1 90 90 LEU CB C 13 44.023 0.10 . 1 . . . A 435 LEU CB . 18297 1 940 . 1 1 90 90 LEU CG C 13 27.143 0.10 . 1 . . . A 435 LEU CG . 18297 1 941 . 1 1 90 90 LEU CD1 C 13 24.603 0.10 . 2 . . . A 435 LEU CD1 . 18297 1 942 . 1 1 90 90 LEU CD2 C 13 23.578 0.10 . 2 . . . A 435 LEU CD2 . 18297 1 943 . 1 1 90 90 LEU N N 15 125.755 0.10 . 1 . . . A 435 LEU N . 18297 1 944 . 1 1 91 91 PHE H H 1 9.222 0.02 . 1 . . . A 436 PHE H . 18297 1 945 . 1 1 91 91 PHE HA H 1 5.314 0.02 . 1 . . . A 436 PHE HA . 18297 1 946 . 1 1 91 91 PHE HB2 H 1 2.949 0.02 . 2 . . . A 436 PHE HB2 . 18297 1 947 . 1 1 91 91 PHE HB3 H 1 2.757 0.02 . 2 . . . A 436 PHE HB3 . 18297 1 948 . 1 1 91 91 PHE HD1 H 1 7.165 0.02 . 3 . . . A 436 PHE HD1 . 18297 1 949 . 1 1 91 91 PHE HD2 H 1 7.165 0.02 . 3 . . . A 436 PHE HD2 . 18297 1 950 . 1 1 91 91 PHE HE1 H 1 7.198 0.02 . 3 . . . A 436 PHE HE1 . 18297 1 951 . 1 1 91 91 PHE HE2 H 1 7.198 0.02 . 3 . . . A 436 PHE HE2 . 18297 1 952 . 1 1 91 91 PHE HZ H 1 7.149 0.02 . 1 . . . A 436 PHE HZ . 18297 1 953 . 1 1 91 91 PHE C C 13 174.788 0.10 . 1 . . . A 436 PHE C . 18297 1 954 . 1 1 91 91 PHE CA C 13 56.327 0.10 . 1 . . . A 436 PHE CA . 18297 1 955 . 1 1 91 91 PHE CB C 13 43.330 0.10 . 1 . . . A 436 PHE CB . 18297 1 956 . 1 1 91 91 PHE CD1 C 13 132.309 0.10 . 3 . . . A 436 PHE CD1 . 18297 1 957 . 1 1 91 91 PHE CE1 C 13 130.819 0.10 . 3 . . . A 436 PHE CE1 . 18297 1 958 . 1 1 91 91 PHE CZ C 13 129.719 0.10 . 1 . . . A 436 PHE CZ . 18297 1 959 . 1 1 91 91 PHE N N 15 120.743 0.10 . 1 . . . A 436 PHE N . 18297 1 960 . 1 1 92 92 LYS H H 1 8.908 0.02 . 1 . . . A 437 LYS H . 18297 1 961 . 1 1 92 92 LYS HA H 1 4.708 0.02 . 1 . . . A 437 LYS HA . 18297 1 962 . 1 1 92 92 LYS HB2 H 1 1.518 0.02 . 2 . . . A 437 LYS HB2 . 18297 1 963 . 1 1 92 92 LYS HB3 H 1 1.777 0.02 . 2 . . . A 437 LYS HB3 . 18297 1 964 . 1 1 92 92 LYS HG2 H 1 0.995 0.02 . 2 . . . A 437 LYS HG2 . 18297 1 965 . 1 1 92 92 LYS HG3 H 1 1.207 0.02 . 2 . . . A 437 LYS HG3 . 18297 1 966 . 1 1 92 92 LYS HD2 H 1 1.626 0.02 . 2 . . . A 437 LYS HD2 . 18297 1 967 . 1 1 92 92 LYS HD3 H 1 1.626 0.02 . 2 . . . A 437 LYS HD3 . 18297 1 968 . 1 1 92 92 LYS HE2 H 1 2.993 0.02 . 2 . . . A 437 LYS HE2 . 18297 1 969 . 1 1 92 92 LYS HE3 H 1 2.993 0.02 . 2 . . . A 437 LYS HE3 . 18297 1 970 . 1 1 92 92 LYS C C 13 174.606 0.10 . 1 . . . A 437 LYS C . 18297 1 971 . 1 1 92 92 LYS CA C 13 55.139 0.10 . 1 . . . A 437 LYS CA . 18297 1 972 . 1 1 92 92 LYS CB C 13 34.269 0.10 . 1 . . . A 437 LYS CB . 18297 1 973 . 1 1 92 92 LYS CG C 13 25.358 0.10 . 1 . . . A 437 LYS CG . 18297 1 974 . 1 1 92 92 LYS CD C 13 29.566 0.10 . 1 . . . A 437 LYS CD . 18297 1 975 . 1 1 92 92 LYS N N 15 123.120 0.10 . 1 . . . A 437 LYS N . 18297 1 976 . 1 1 93 93 LEU H H 1 8.755 0.02 . 1 . . . A 438 LEU H . 18297 1 977 . 1 1 93 93 LEU HA H 1 4.480 0.02 . 1 . . . A 438 LEU HA . 18297 1 978 . 1 1 93 93 LEU HB2 H 1 1.760 0.02 . 2 . . . A 438 LEU HB2 . 18297 1 979 . 1 1 93 93 LEU HB3 H 1 1.270 0.02 . 2 . . . A 438 LEU HB3 . 18297 1 980 . 1 1 93 93 LEU HG H 1 1.239 0.02 . 1 . . . A 438 LEU HG . 18297 1 981 . 1 1 93 93 LEU HD11 H 1 0.686 0.02 . 2 . . . A 438 LEU HD11 . 18297 1 982 . 1 1 93 93 LEU HD12 H 1 0.686 0.02 . 2 . . . A 438 LEU HD12 . 18297 1 983 . 1 1 93 93 LEU HD13 H 1 0.686 0.02 . 2 . . . A 438 LEU HD13 . 18297 1 984 . 1 1 93 93 LEU HD21 H 1 0.832 0.02 . 2 . . . A 438 LEU HD21 . 18297 1 985 . 1 1 93 93 LEU HD22 H 1 0.832 0.02 . 2 . . . A 438 LEU HD22 . 18297 1 986 . 1 1 93 93 LEU HD23 H 1 0.832 0.02 . 2 . . . A 438 LEU HD23 . 18297 1 987 . 1 1 93 93 LEU C C 13 175.327 0.10 . 1 . . . A 438 LEU C . 18297 1 988 . 1 1 93 93 LEU CA C 13 55.139 0.10 . 1 . . . A 438 LEU CA . 18297 1 989 . 1 1 93 93 LEU CB C 13 43.976 0.10 . 1 . . . A 438 LEU CB . 18297 1 990 . 1 1 93 93 LEU CG C 13 27.139 0.10 . 1 . . . A 438 LEU CG . 18297 1 991 . 1 1 93 93 LEU CD1 C 13 26.501 0.10 . 2 . . . A 438 LEU CD1 . 18297 1 992 . 1 1 93 93 LEU CD2 C 13 24.603 0.10 . 2 . . . A 438 LEU CD2 . 18297 1 993 . 1 1 93 93 LEU N N 15 128.422 0.10 . 1 . . . A 438 LEU N . 18297 1 994 . 1 1 94 94 HIS H H 1 8.891 0.02 . 1 . . . A 439 HIS H . 18297 1 995 . 1 1 94 94 HIS HA H 1 5.180 0.02 . 1 . . . A 439 HIS HA . 18297 1 996 . 1 1 94 94 HIS HB2 H 1 3.061 0.02 . 2 . . . A 439 HIS HB2 . 18297 1 997 . 1 1 94 94 HIS HB3 H 1 3.223 0.02 . 2 . . . A 439 HIS HB3 . 18297 1 998 . 1 1 94 94 HIS HD2 H 1 7.222 0.02 . 1 . . . A 439 HIS HD2 . 18297 1 999 . 1 1 94 94 HIS HE1 H 1 8.554 0.02 . 1 . . . A 439 HIS HE1 . 18297 1 1000 . 1 1 94 94 HIS C C 13 174.297 0.10 . 1 . . . A 439 HIS C . 18297 1 1001 . 1 1 94 94 HIS CA C 13 53.396 0.10 . 1 . . . A 439 HIS CA . 18297 1 1002 . 1 1 94 94 HIS CB C 13 30.786 0.10 . 1 . . . A 439 HIS CB . 18297 1 1003 . 1 1 94 94 HIS CD2 C 13 120.915 0.10 . 1 . . . A 439 HIS CD2 . 18297 1 1004 . 1 1 94 94 HIS CE1 C 13 136.516 0.10 . 1 . . . A 439 HIS CE1 . 18297 1 1005 . 1 1 94 94 HIS N N 15 123.859 0.10 . 1 . . . A 439 HIS N . 18297 1 1006 . 1 1 95 95 PHE H H 1 8.896 0.02 . 1 . . . A 440 PHE H . 18297 1 1007 . 1 1 95 95 PHE HA H 1 6.231 0.02 . 1 . . . A 440 PHE HA . 18297 1 1008 . 1 1 95 95 PHE HB2 H 1 3.058 0.02 . 2 . . . A 440 PHE HB2 . 18297 1 1009 . 1 1 95 95 PHE HB3 H 1 3.318 0.02 . 2 . . . A 440 PHE HB3 . 18297 1 1010 . 1 1 95 95 PHE HD1 H 1 7.234 0.02 . 3 . . . A 440 PHE HD1 . 18297 1 1011 . 1 1 95 95 PHE HD2 H 1 7.234 0.02 . 3 . . . A 440 PHE HD2 . 18297 1 1012 . 1 1 95 95 PHE HE1 H 1 7.362 0.02 . 3 . . . A 440 PHE HE1 . 18297 1 1013 . 1 1 95 95 PHE HE2 H 1 7.362 0.02 . 3 . . . A 440 PHE HE2 . 18297 1 1014 . 1 1 95 95 PHE HZ H 1 6.827 0.02 . 1 . . . A 440 PHE HZ . 18297 1 1015 . 1 1 95 95 PHE C C 13 178.229 0.10 . 1 . . . A 440 PHE C . 18297 1 1016 . 1 1 95 95 PHE CA C 13 53.690 0.10 . 1 . . . A 440 PHE CA . 18297 1 1017 . 1 1 95 95 PHE CB C 13 39.477 0.10 . 1 . . . A 440 PHE CB . 18297 1 1018 . 1 1 95 95 PHE CD2 C 13 131.596 0.10 . 3 . . . A 440 PHE CD2 . 18297 1 1019 . 1 1 95 95 PHE CE2 C 13 130.172 0.10 . 3 . . . A 440 PHE CE2 . 18297 1 1020 . 1 1 95 95 PHE CZ C 13 128.748 0.10 . 1 . . . A 440 PHE CZ . 18297 1 1021 . 1 1 95 95 PHE N N 15 123.544 0.10 . 1 . . . A 440 PHE N . 18297 1 1022 . 1 1 96 96 THR H H 1 7.973 0.02 . 1 . . . A 441 THR H . 18297 1 1023 . 1 1 96 96 THR HA H 1 4.617 0.02 . 1 . . . A 441 THR HA . 18297 1 1024 . 1 1 96 96 THR HB H 1 4.365 0.02 . 1 . . . A 441 THR HB . 18297 1 1025 . 1 1 96 96 THR HG21 H 1 1.092 0.02 . 1 . . . A 441 THR HG21 . 18297 1 1026 . 1 1 96 96 THR HG22 H 1 1.092 0.02 . 1 . . . A 441 THR HG22 . 18297 1 1027 . 1 1 96 96 THR HG23 H 1 1.092 0.02 . 1 . . . A 441 THR HG23 . 18297 1 1028 . 1 1 96 96 THR C C 13 173.867 0.10 . 1 . . . A 441 THR C . 18297 1 1029 . 1 1 96 96 THR CA C 13 61.327 0.10 . 1 . . . A 441 THR CA . 18297 1 1030 . 1 1 96 96 THR CB C 13 69.561 0.10 . 1 . . . A 441 THR CB . 18297 1 1031 . 1 1 96 96 THR CG2 C 13 21.797 0.10 . 1 . . . A 441 THR CG2 . 18297 1 1032 . 1 1 96 96 THR N N 15 114.382 0.10 . 1 . . . A 441 THR N . 18297 1 1033 . 1 1 97 97 SER H H 1 8.038 0.02 . 1 . . . A 442 SER H . 18297 1 1034 . 1 1 97 97 SER HA H 1 4.290 0.02 . 1 . . . A 442 SER HA . 18297 1 1035 . 1 1 97 97 SER HB2 H 1 3.905 0.02 . 2 . . . A 442 SER HB2 . 18297 1 1036 . 1 1 97 97 SER HB3 H 1 3.905 0.02 . 2 . . . A 442 SER HB3 . 18297 1 1037 . 1 1 97 97 SER C C 13 178.842 0.10 . 1 . . . A 442 SER C . 18297 1 1038 . 1 1 97 97 SER CA C 13 60.318 0.10 . 1 . . . A 442 SER CA . 18297 1 1039 . 1 1 97 97 SER CB C 13 65.174 0.10 . 1 . . . A 442 SER CB . 18297 1 1040 . 1 1 97 97 SER N N 15 121.739 0.10 . 1 . . . A 442 SER N . 18297 1 stop_ save_