data_19044 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19044 _Entry.Title ; Backbone and Side Chain 1H, 13C and 15N Chemical Shift Assignments for Domain 4 of Phosphomannomutase/Phosphoglucomutase from Pseudomonas aeruginosa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-19 _Entry.Accession_date 2013-02-19 _Entry.Last_release_date 2013-03-18 _Entry.Original_release_date 2013-03-18 _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 Yirui Wei . . . 19044 2 Thomas Marcink . C. . 19044 3 Jia Xu . . . 19044 4 Guy Sirianni . . . 19044 5 Akella Sarma . V. . 19044 6 Stephen Prior . H. . 19044 7 Lisa Beamer . J. . 19044 8 Steven 'Van Doren' . R. . 19044 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19044 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 409 19044 '15N chemical shifts' 90 19044 '1H chemical shifts' 637 19044 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-03-18 2013-02-19 original author . 19044 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1pcm . 19044 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19044 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Backbone and Side Chain 1H, 13C and 15N Chemical Shift Assignments for Domain 4 of Phosphomannomutase/Phosphoglucomutase from Pseudomonas aeruginosa' _Citation.Status 'in preparation' _Citation.Type 'BMRB only' _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yirui Wei . . . 19044 1 2 Thomas Marcink . C. . 19044 1 3 Jia Xu . . . 19044 1 4 Arthur Sirianni . . . 19044 1 5 Akella Sarma . V. . 19044 1 6 Stephen Prior . H. . 19044 1 7 Lisa Beamer . J. . 19044 1 8 Steven 'Van Doren' . R. . 19044 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19044 _Assembly.ID 1 _Assembly.Name PMM/PGM_D4 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PMM/PGM_D4 1 $PMM-PGM_D4 A . yes native no no . . . 19044 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1PCM . . X-ray 1.90 'd1pcmx4 domain' . 19044 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PMM-PGM_D4 _Entity.Sf_category entity _Entity.Sf_framecode PMM-PGM_D4 _Entity.Entry_ID 19044 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PMM/PGM_D4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH SDISTPEINITVTEDSKFAI IEALQRDAQWGEGNITTLDG VRVDYPKGWGLVRASNTTPV LVLRFEADTEEELERIKTVF RNQLKAVDSSLPVPF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-20 represent a hexahistidine affinity tag. Residues 21-115 represent Domain 4 (369-463) of PMM/PGM' _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 yes PDB 1PCM . PMM/PGM . . . . . . . . . . . . . . 19044 1 2 no BMRB 17602 . PMM-PGM . . . . . 82.61 463 100.00 100.00 3.02e-58 . . . . 19044 1 3 no BMRB 17652 . PMM_PGM(S108C) . . . . . 82.61 463 100.00 100.00 1.87e-58 . . . . 19044 1 4 no PDB 1K2Y . "Crystal Structure Of Phosphomannomutase/phosphoglucomutase S108a Mutant From P. Aeruginosa" . . . . . 82.61 463 100.00 100.00 2.89e-58 . . . . 19044 1 5 no PDB 1K35 . "Crystal Structure Of Phosphomannomutase/phosphoglucomutase From P.aeruginosa" . . . . . 82.61 463 100.00 100.00 4.73e-57 . . . . 19044 1 6 no PDB 1P5D . "Enzyme-Ligand Complex Of P. Aeruginosa PmmPGM" . . . . . 82.61 463 100.00 100.00 2.89e-58 . . . . 19044 1 7 no PDB 1P5G . "Enzyme-Ligand Complex Of P. Aeruginosa PmmPGM" . . . . . 82.61 463 100.00 100.00 2.89e-58 . . . . 19044 1 8 no PDB 1PCJ . "Enzyme-Ligand Complex Of P. Aeruginosa PmmPGM" . . . . . 82.61 463 100.00 100.00 2.89e-58 . . . . 19044 1 9 no PDB 1PCM . "Enzyme-Ligand Complex Of P. Aeruginosa PmmPGM" . . . . . 82.61 463 100.00 100.00 2.89e-58 . . . . 19044 1 10 no PDB 2FKF . "PhosphomannomutasePHOSPHOGLUCOMUTASE FROM PSEUDOMONAS AERUGINOSA WITH Alpha-D-Glucose 1,6-Bisphosphate Bound" . . . . . 82.61 462 100.00 100.00 2.95e-58 . . . . 19044 1 11 no PDB 2FKM . "Pmm/pgm S108d Mutant With Alpha-d-glucose 1,6-bisphosphate Bound" . . . . . 82.61 462 100.00 100.00 3.12e-58 . . . . 19044 1 12 no PDB 2H4L . "Complex Of PmmPGM WITH RIBOSE 1-Phosphate" . . . . . 82.61 463 100.00 100.00 2.89e-58 . . . . 19044 1 13 no PDB 2H5A . "Complex Of The Enzyme PmmPGM WITH XYLOSE 1-Phosphate" . . . . . 82.61 463 100.00 100.00 2.89e-58 . . . . 19044 1 14 no PDB 3BKQ . "Structure Of The P368g Mutant Of PmmPGM IN COMPLEX WITH ITS SUBSTRATE" . . . . . 82.61 463 100.00 100.00 2.63e-58 . . . . 19044 1 15 no PDB 3C04 . "Structure Of The P368g Mutant Of PmmPGM FROM P. AERUGINOSA" . . . . . 82.61 463 100.00 100.00 2.63e-58 . . . . 19044 1 16 no PDB 3RSM . "Crystal Structure Of S108c Mutant Of PmmPGM" . . . . . 82.61 463 100.00 100.00 1.87e-58 . . . . 19044 1 17 no PDB 4IL8 . "Crystal Structure Of An H329a Mutant Of P. Aeruginosa Pmm/pgm" . . . . . 82.61 463 100.00 100.00 1.87e-58 . . . . 19044 1 18 no PDB 4MRQ . "Crystal Structure Of Wild-type Unphosphorylated Pmm/pgm" . . . . . 82.61 455 100.00 100.00 2.30e-58 . . . . 19044 1 19 no DBJ BAK92897 . "phosphomannomutase [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 82.61 868 100.00 100.00 4.60e-56 . . . . 19044 1 20 no DBJ BAP25224 . "phosphomannomutase [Pseudomonas aeruginosa]" . . . . . 82.61 868 100.00 100.00 4.60e-56 . . . . 19044 1 21 no DBJ BAP54026 . "phosphomannomutase [Pseudomonas aeruginosa]" . . . . . 82.61 868 100.00 100.00 4.60e-56 . . . . 19044 1 22 no DBJ BAQ43263 . "phosphomannomutase [Pseudomonas aeruginosa]" . . . . . 82.61 870 100.00 100.00 3.85e-56 . . . . 19044 1 23 no DBJ BAR70810 . "phosphomannomutase/phosphoglucomutase [Pseudomonas aeruginosa]" . . . . . 82.61 868 100.00 100.00 4.60e-56 . . . . 19044 1 24 no EMBL CAW30471 . "phosphomannomutase AlgC [Pseudomonas aeruginosa LESB58]" . . . . . 82.61 463 100.00 100.00 3.02e-58 . . . . 19044 1 25 no EMBL CCQ87804 . "Phosphomannomutase / Phosphoglucomutase [Pseudomonas aeruginosa 18A]" . . . . . 82.61 741 100.00 100.00 3.98e-56 . . . . 19044 1 26 no EMBL CDH74092 . "Phosphomannomutase/phosphoglucomutase [Pseudomonas aeruginosa MH38]" . . . . . 82.61 868 100.00 100.00 3.21e-56 . . . . 19044 1 27 no EMBL CDH80443 . "Phosphomannomutase/phosphoglucomutase [Pseudomonas aeruginosa MH27]" . . . . . 82.61 868 100.00 100.00 4.60e-56 . . . . 19044 1 28 no EMBL CDI93917 . "phosphomannomutase [Pseudomonas aeruginosa PA38182]" . . . . . 82.61 868 100.00 100.00 3.21e-56 . . . . 19044 1 29 no GB AAA25701 . "phosphomannomutase [Pseudomonas aeruginosa]" . . . . . 82.61 463 98.95 98.95 2.45e-57 . . . . 19044 1 30 no GB AAG08707 . "phosphomannomutase AlgC [Pseudomonas aeruginosa PAO1]" . . . . . 82.61 463 100.00 100.00 3.02e-58 . . . . 19044 1 31 no GB ABJ14705 . "phosphomannomutase AlgC [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 82.61 854 100.00 100.00 3.00e-56 . . . . 19044 1 32 no GB ABR82184 . "phosphomannomutase AlgC [Pseudomonas aeruginosa PA7]" . . . . . 82.61 868 97.89 100.00 6.29e-55 . . . . 19044 1 33 no GB AEO77919 . "phosphomannomutase AlgC [Pseudomonas aeruginosa M18]" . . . . . 82.61 863 100.00 100.00 3.71e-56 . . . . 19044 1 34 no REF NP_254009 . "phosphomannomutase [Pseudomonas aeruginosa PAO1]" . . . . . 82.61 868 100.00 100.00 4.60e-56 . . . . 19044 1 35 no REF WP_003098295 . "phosphomannomutase [Pseudomonas aeruginosa]" . . . . . 82.61 863 100.00 100.00 3.71e-56 . . . . 19044 1 36 no REF WP_003114359 . "MULTISPECIES: phosphomannomutase [Pseudomonas]" . . . . . 82.61 868 100.00 100.00 4.60e-56 . . . . 19044 1 37 no REF WP_003117161 . "phosphomannomutase [Pseudomonas aeruginosa]" . . . . . 82.61 868 100.00 100.00 3.21e-56 . . . . 19044 1 38 no REF WP_003121305 . "phosphomannomutase/phosphoglucomutase [Pseudomonas aeruginosa]" . . . . . 82.61 463 100.00 100.00 3.02e-58 . . . . 19044 1 39 no SP P26276 . "RecName: Full=Phosphomannomutase/phosphoglucomutase; Short=PMM / PGM [Pseudomonas aeruginosa PAO1]" . . . . . 82.61 463 100.00 100.00 3.02e-58 . . . . 19044 1 40 no SP Q02E40 . "RecName: Full=Phosphomannomutase/phosphoglucomutase; Short=PMM / PGM" . . . . . 82.61 463 100.00 100.00 3.02e-58 . . . . 19044 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 -20 MET . 19044 1 2 -19 GLY . 19044 1 3 -18 SER . 19044 1 4 -17 SER . 19044 1 5 -16 HIS . 19044 1 6 -15 HIS . 19044 1 7 -14 HIS . 19044 1 8 -13 HIS . 19044 1 9 -12 HIS . 19044 1 10 -11 HIS . 19044 1 11 -10 SER . 19044 1 12 -9 SER . 19044 1 13 -8 GLY . 19044 1 14 -7 LEU . 19044 1 15 -6 VAL . 19044 1 16 -5 PRO . 19044 1 17 -4 ARG . 19044 1 18 -3 GLY . 19044 1 19 -2 SER . 19044 1 20 -1 HIS . 19044 1 21 369 SER . 19044 1 22 370 ASP . 19044 1 23 371 ILE . 19044 1 24 372 SER . 19044 1 25 373 THR . 19044 1 26 374 PRO . 19044 1 27 375 GLU . 19044 1 28 376 ILE . 19044 1 29 377 ASN . 19044 1 30 378 ILE . 19044 1 31 379 THR . 19044 1 32 380 VAL . 19044 1 33 381 THR . 19044 1 34 382 GLU . 19044 1 35 383 ASP . 19044 1 36 384 SER . 19044 1 37 385 LYS . 19044 1 38 386 PHE . 19044 1 39 387 ALA . 19044 1 40 388 ILE . 19044 1 41 389 ILE . 19044 1 42 390 GLU . 19044 1 43 391 ALA . 19044 1 44 392 LEU . 19044 1 45 393 GLN . 19044 1 46 394 ARG . 19044 1 47 395 ASP . 19044 1 48 396 ALA . 19044 1 49 397 GLN . 19044 1 50 398 TRP . 19044 1 51 399 GLY . 19044 1 52 400 GLU . 19044 1 53 401 GLY . 19044 1 54 402 ASN . 19044 1 55 403 ILE . 19044 1 56 404 THR . 19044 1 57 405 THR . 19044 1 58 406 LEU . 19044 1 59 407 ASP . 19044 1 60 408 GLY . 19044 1 61 409 VAL . 19044 1 62 410 ARG . 19044 1 63 411 VAL . 19044 1 64 412 ASP . 19044 1 65 413 TYR . 19044 1 66 414 PRO . 19044 1 67 415 LYS . 19044 1 68 416 GLY . 19044 1 69 417 TRP . 19044 1 70 418 GLY . 19044 1 71 419 LEU . 19044 1 72 420 VAL . 19044 1 73 421 ARG . 19044 1 74 422 ALA . 19044 1 75 423 SER . 19044 1 76 424 ASN . 19044 1 77 425 THR . 19044 1 78 426 THR . 19044 1 79 427 PRO . 19044 1 80 428 VAL . 19044 1 81 429 LEU . 19044 1 82 430 VAL . 19044 1 83 431 LEU . 19044 1 84 432 ARG . 19044 1 85 433 PHE . 19044 1 86 434 GLU . 19044 1 87 435 ALA . 19044 1 88 436 ASP . 19044 1 89 437 THR . 19044 1 90 438 GLU . 19044 1 91 439 GLU . 19044 1 92 440 GLU . 19044 1 93 441 LEU . 19044 1 94 442 GLU . 19044 1 95 443 ARG . 19044 1 96 444 ILE . 19044 1 97 445 LYS . 19044 1 98 446 THR . 19044 1 99 447 VAL . 19044 1 100 448 PHE . 19044 1 101 449 ARG . 19044 1 102 450 ASN . 19044 1 103 451 GLN . 19044 1 104 452 LEU . 19044 1 105 453 LYS . 19044 1 106 454 ALA . 19044 1 107 455 VAL . 19044 1 108 456 ASP . 19044 1 109 457 SER . 19044 1 110 458 SER . 19044 1 111 459 LEU . 19044 1 112 460 PRO . 19044 1 113 461 VAL . 19044 1 114 462 PRO . 19044 1 115 463 PHE . 19044 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19044 1 . GLY 2 2 19044 1 . SER 3 3 19044 1 . SER 4 4 19044 1 . HIS 5 5 19044 1 . HIS 6 6 19044 1 . HIS 7 7 19044 1 . HIS 8 8 19044 1 . HIS 9 9 19044 1 . HIS 10 10 19044 1 . SER 11 11 19044 1 . SER 12 12 19044 1 . GLY 13 13 19044 1 . LEU 14 14 19044 1 . VAL 15 15 19044 1 . PRO 16 16 19044 1 . ARG 17 17 19044 1 . GLY 18 18 19044 1 . SER 19 19 19044 1 . HIS 20 20 19044 1 . SER 21 21 19044 1 . ASP 22 22 19044 1 . ILE 23 23 19044 1 . SER 24 24 19044 1 . THR 25 25 19044 1 . PRO 26 26 19044 1 . GLU 27 27 19044 1 . ILE 28 28 19044 1 . ASN 29 29 19044 1 . ILE 30 30 19044 1 . THR 31 31 19044 1 . VAL 32 32 19044 1 . THR 33 33 19044 1 . GLU 34 34 19044 1 . ASP 35 35 19044 1 . SER 36 36 19044 1 . LYS 37 37 19044 1 . PHE 38 38 19044 1 . ALA 39 39 19044 1 . ILE 40 40 19044 1 . ILE 41 41 19044 1 . GLU 42 42 19044 1 . ALA 43 43 19044 1 . LEU 44 44 19044 1 . GLN 45 45 19044 1 . ARG 46 46 19044 1 . ASP 47 47 19044 1 . ALA 48 48 19044 1 . GLN 49 49 19044 1 . TRP 50 50 19044 1 . GLY 51 51 19044 1 . GLU 52 52 19044 1 . GLY 53 53 19044 1 . ASN 54 54 19044 1 . ILE 55 55 19044 1 . THR 56 56 19044 1 . THR 57 57 19044 1 . LEU 58 58 19044 1 . ASP 59 59 19044 1 . GLY 60 60 19044 1 . VAL 61 61 19044 1 . ARG 62 62 19044 1 . VAL 63 63 19044 1 . ASP 64 64 19044 1 . TYR 65 65 19044 1 . PRO 66 66 19044 1 . LYS 67 67 19044 1 . GLY 68 68 19044 1 . TRP 69 69 19044 1 . GLY 70 70 19044 1 . LEU 71 71 19044 1 . VAL 72 72 19044 1 . ARG 73 73 19044 1 . ALA 74 74 19044 1 . SER 75 75 19044 1 . ASN 76 76 19044 1 . THR 77 77 19044 1 . THR 78 78 19044 1 . PRO 79 79 19044 1 . VAL 80 80 19044 1 . LEU 81 81 19044 1 . VAL 82 82 19044 1 . LEU 83 83 19044 1 . ARG 84 84 19044 1 . PHE 85 85 19044 1 . GLU 86 86 19044 1 . ALA 87 87 19044 1 . ASP 88 88 19044 1 . THR 89 89 19044 1 . GLU 90 90 19044 1 . GLU 91 91 19044 1 . GLU 92 92 19044 1 . LEU 93 93 19044 1 . GLU 94 94 19044 1 . ARG 95 95 19044 1 . ILE 96 96 19044 1 . LYS 97 97 19044 1 . THR 98 98 19044 1 . VAL 99 99 19044 1 . PHE 100 100 19044 1 . ARG 101 101 19044 1 . ASN 102 102 19044 1 . GLN 103 103 19044 1 . LEU 104 104 19044 1 . LYS 105 105 19044 1 . ALA 106 106 19044 1 . VAL 107 107 19044 1 . ASP 108 108 19044 1 . SER 109 109 19044 1 . SER 110 110 19044 1 . LEU 111 111 19044 1 . PRO 112 112 19044 1 . VAL 113 113 19044 1 . PRO 114 114 19044 1 . PHE 115 115 19044 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 19044 _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 $PMM-PGM_D4 . 287 organism . 'Pseudomonas aeruginosa' g-proteobacteria . . Bacteria . Pseudomonas aeruginosa BL21DE3 . . . . . . . . . . . . . . . . . . . . 19044 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 19044 _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 $PMM-PGM_D4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-14b . . . . . . 19044 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19044 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'PMM/PGM D4' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $PMM-PGM_D4 . . . 0.6 1.5 mM . . . . 19044 1 2 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 19044 1 3 MOPS 'natural abundance' . . . . . . 50 . . mM . . . . 19044 1 4 'Magnesium Chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 19044 1 5 D2O '[U-99.9% 2H]' . . . . . . 5 . . % . . . . 19044 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19044 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 19044 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.003 . M 19044 1 pH 7.4 . pH 19044 1 pressure 1 . atm 19044 1 temperature 310 . K 19044 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19044 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19044 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19044 1 processing 19044 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 19044 _Software.ID 2 _Software.Name Analysis _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19044 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19044 2 'peak picking' 19044 2 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 19044 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19044 _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 III' . 800 . . . 19044 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 19044 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19044 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19044 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19044 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19044 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19044 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19044 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19044 1 8 '3D HN(CA)NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19044 1 9 '3D (H)CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19044 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19044 1 11 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19044 1 12 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19044 1 13 '3D (H)N(CAN)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19044 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 19044 _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 na indirect 0.251449530 . . . . . . . . . 19044 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 19044 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 19044 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 19044 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19044 1 2 '2D 1H-13C HSQC' . . . 19044 1 3 '3D HN(CO)CACB' . . . 19044 1 4 '3D HNCACB' . . . 19044 1 5 '3D H(CCO)NH' . . . 19044 1 6 '3D C(CO)NH' . . . 19044 1 7 '3D HCCH-TOCSY' . . . 19044 1 9 '3D (H)CC(CO)NH' . . . 19044 1 10 '3D 1H-15N TOCSY' . . . 19044 1 11 '2D (HB)CB(CGCD)HD' . . . 19044 1 12 '2D (HB)CB(CGCDCE)HE' . . . 19044 1 13 '3D (H)N(CAN)NH' . . . 19044 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 13 13 GLY H H 1 8.28 0.03 . 1 . . . . -8 GLY H . 19044 1 2 . 1 1 13 13 GLY HA3 H 1 4.01 0.03 . 2 . . . . -8 GLY HA3 . 19044 1 3 . 1 1 13 13 GLY N N 15 110.4 0.02 . 1 . . . . -8 GLY N . 19044 1 4 . 1 1 14 14 LEU H H 1 7.97 0.03 . 1 . . . . -7 LEU H . 19044 1 5 . 1 1 14 14 LEU HA H 1 4.43 0.03 . 1 . . . . -7 LEU HA . 19044 1 6 . 1 1 14 14 LEU HB3 H 1 1.61 0.03 . 2 . . . . -7 LEU HB3 . 19044 1 7 . 1 1 14 14 LEU HG H 1 1.67 0.03 . 1 . . . . -7 LEU HG . 19044 1 8 . 1 1 14 14 LEU HD21 H 1 0.91 0.03 . 2 . . . . -7 LEU MD2 . 19044 1 9 . 1 1 14 14 LEU HD22 H 1 0.91 0.03 . 2 . . . . -7 LEU MD2 . 19044 1 10 . 1 1 14 14 LEU HD23 H 1 0.91 0.03 . 2 . . . . -7 LEU MD2 . 19044 1 11 . 1 1 14 14 LEU CA C 13 55.07 0.1 . 1 . . . . -7 LEU CA . 19044 1 12 . 1 1 14 14 LEU CB C 13 42.34 0.1 . 1 . . . . -7 LEU CB . 19044 1 13 . 1 1 14 14 LEU CG C 13 26.99 0.1 . 1 . . . . -7 LEU CG . 19044 1 14 . 1 1 14 14 LEU CD1 C 13 23.54 0.1 . 2 . . . . -7 LEU CD1 . 19044 1 15 . 1 1 14 14 LEU CD2 C 13 24.93 0.1 . 2 . . . . -7 LEU CD2 . 19044 1 16 . 1 1 14 14 LEU N N 15 121.6 0.36 . 1 . . . . -7 LEU N . 19044 1 17 . 1 1 15 15 VAL H H 1 8.01 0.01 . 1 . . . . -6 VAL H . 19044 1 18 . 1 1 15 15 VAL CA C 13 59.67 0.1 . 1 . . . . -6 VAL CA . 19044 1 19 . 1 1 15 15 VAL CB C 13 32.56 0.1 . 1 . . . . -6 VAL CB . 19044 1 20 . 1 1 15 15 VAL N N 15 122.69 0.15 . 1 . . . . -6 VAL N . 19044 1 21 . 1 1 21 21 SER H H 1 7.06 0.03 . 1 . . . . 369 SER H . 19044 1 22 . 1 1 21 21 SER HA H 1 4.54 0.03 . 1 . . . . 369 SER HA . 19044 1 23 . 1 1 21 21 SER C C 13 174.02 0.1 . 1 . . . . 369 SER C . 19044 1 24 . 1 1 21 21 SER CA C 13 58.38 0.1 . 1 . . . . 369 SER CA . 19044 1 25 . 1 1 21 21 SER CB C 13 65.19 0.1 . 1 . . . . 369 SER CB . 19044 1 26 . 1 1 21 21 SER N N 15 113.08 0.05 . 1 . . . . 369 SER N . 19044 1 27 . 1 1 22 22 ASP H H 1 8.32 0.03 . 1 . . . . 370 ASP H . 19044 1 28 . 1 1 22 22 ASP HA H 1 4.66 0.01 . 1 . . . . 370 ASP HA . 19044 1 29 . 1 1 22 22 ASP HB2 H 1 2.72 0.03 . 2 . . . . 370 ASP HB2 . 19044 1 30 . 1 1 22 22 ASP HB3 H 1 2.73 0.03 . 2 . . . . 370 ASP HB3 . 19044 1 31 . 1 1 22 22 ASP C C 13 176.94 0.1 . 1 . . . . 370 ASP C . 19044 1 32 . 1 1 22 22 ASP CA C 13 55 0.07 . 1 . . . . 370 ASP CA . 19044 1 33 . 1 1 22 22 ASP CB C 13 41.31 0.11 . 1 . . . . 370 ASP CB . 19044 1 34 . 1 1 22 22 ASP N N 15 122.57 0.03 . 1 . . . . 370 ASP N . 19044 1 35 . 1 1 23 23 ILE H H 1 8.22 0.03 . 1 . . . . 371 ILE H . 19044 1 36 . 1 1 23 23 ILE HA H 1 4.32 0.03 . 1 . . . . 371 ILE HA . 19044 1 37 . 1 1 23 23 ILE HB H 1 2.05 0.03 . 1 . . . . 371 ILE HB . 19044 1 38 . 1 1 23 23 ILE HG12 H 1 1.18 0.03 . 2 . . . . 371 ILE HG12 . 19044 1 39 . 1 1 23 23 ILE HG13 H 1 1.41 0.03 . 2 . . . . 371 ILE HG13 . 19044 1 40 . 1 1 23 23 ILE HG21 H 1 1.03 0.03 . 1 . . . . 371 ILE HG2 . 19044 1 41 . 1 1 23 23 ILE HG22 H 1 1.03 0.03 . 1 . . . . 371 ILE HG2 . 19044 1 42 . 1 1 23 23 ILE HG23 H 1 1.03 0.03 . 1 . . . . 371 ILE HG2 . 19044 1 43 . 1 1 23 23 ILE HD11 H 1 0.83 0.03 . 1 . . . . 371 ILE HD1 . 19044 1 44 . 1 1 23 23 ILE HD12 H 1 0.83 0.03 . 1 . . . . 371 ILE HD1 . 19044 1 45 . 1 1 23 23 ILE HD13 H 1 0.83 0.03 . 1 . . . . 371 ILE HD1 . 19044 1 46 . 1 1 23 23 ILE C C 13 174.01 0.1 . 1 . . . . 371 ILE C . 19044 1 47 . 1 1 23 23 ILE CA C 13 60.7 0.13 . 1 . . . . 371 ILE CA . 19044 1 48 . 1 1 23 23 ILE CB C 13 38.09 0.15 . 1 . . . . 371 ILE CB . 19044 1 49 . 1 1 23 23 ILE CG1 C 13 27.03 0.1 . 1 . . . . 371 ILE CG1 . 19044 1 50 . 1 1 23 23 ILE CG2 C 13 18.34 0.1 . 1 . . . . 371 ILE CG2 . 19044 1 51 . 1 1 23 23 ILE CD1 C 13 13.1 0.1 . 1 . . . . 371 ILE CD1 . 19044 1 52 . 1 1 23 23 ILE N N 15 120.88 0.03 . 1 . . . . 371 ILE N . 19044 1 53 . 1 1 24 24 SER H H 1 8.09 0.03 . 1 . . . . 372 SER H . 19044 1 54 . 1 1 24 24 SER HA H 1 5.11 0.03 . 1 . . . . 372 SER HA . 19044 1 55 . 1 1 24 24 SER HB2 H 1 4.75 0.03 . 2 . . . . 372 SER HB2 . 19044 1 56 . 1 1 24 24 SER HB3 H 1 4.93 0.03 . 2 . . . . 372 SER HB3 . 19044 1 57 . 1 1 24 24 SER C C 13 174.56 0.1 . 1 . . . . 372 SER C . 19044 1 58 . 1 1 24 24 SER CA C 13 57.33 0.07 . 1 . . . . 372 SER CA . 19044 1 59 . 1 1 24 24 SER CB C 13 64.97 0.06 . 1 . . . . 372 SER CB . 19044 1 60 . 1 1 24 24 SER N N 15 118.85 0.04 . 1 . . . . 372 SER N . 19044 1 61 . 1 1 25 25 THR H H 1 8.27 0.03 . 1 . . . . 373 THR H . 19044 1 62 . 1 1 25 25 THR HA H 1 3.96 0.03 . 1 . . . . 373 THR HA . 19044 1 63 . 1 1 25 25 THR HB H 1 4.51 0.03 . 1 . . . . 373 THR HB . 19044 1 64 . 1 1 25 25 THR C C 13 173.25 0.1 . 1 . . . . 373 THR C . 19044 1 65 . 1 1 25 25 THR CA C 13 60.15 0.14 . 1 . . . . 373 THR CA . 19044 1 66 . 1 1 25 25 THR CB C 13 69.48 0.1 . 1 . . . . 373 THR CB . 19044 1 67 . 1 1 25 25 THR N N 15 115.61 0.07 . 1 . . . . 373 THR N . 19044 1 68 . 1 1 26 26 PRO HA H 1 4.7 0.03 . 1 . . . . 374 PRO HA . 19044 1 69 . 1 1 26 26 PRO HB2 H 1 2.42 0.03 . 2 . . . . 374 PRO HB2 . 19044 1 70 . 1 1 26 26 PRO HB3 H 1 2.42 0.03 . 2 . . . . 374 PRO HB3 . 19044 1 71 . 1 1 26 26 PRO HG2 H 1 2.03 0.03 . 2 . . . . 374 PRO HG2 . 19044 1 72 . 1 1 26 26 PRO HG3 H 1 2.03 0.03 . 2 . . . . 374 PRO HG3 . 19044 1 73 . 1 1 26 26 PRO HD2 H 1 3.78 0.03 . 2 . . . . 374 PRO HD2 . 19044 1 74 . 1 1 26 26 PRO HD3 H 1 3.78 0.03 . 2 . . . . 374 PRO HD3 . 19044 1 75 . 1 1 26 26 PRO C C 13 176.29 0.1 . 1 . . . . 374 PRO C . 19044 1 76 . 1 1 26 26 PRO CA C 13 62.74 0.08 . 1 . . . . 374 PRO CA . 19044 1 77 . 1 1 26 26 PRO CB C 13 32.09 0.06 . 1 . . . . 374 PRO CB . 19044 1 78 . 1 1 26 26 PRO CG C 13 27.16 0.1 . 1 . . . . 374 PRO CG . 19044 1 79 . 1 1 26 26 PRO CD C 13 50.56 0.1 . 1 . . . . 374 PRO CD . 19044 1 80 . 1 1 27 27 GLU H H 1 8.25 0.03 . 1 . . . . 375 GLU H . 19044 1 81 . 1 1 27 27 GLU HA H 1 4.46 0.03 . 1 . . . . 375 GLU HA . 19044 1 82 . 1 1 27 27 GLU HB2 H 1 1.85 0.03 . 2 . . . . 375 GLU HB2 . 19044 1 83 . 1 1 27 27 GLU HB3 H 1 2.03 0.03 . 2 . . . . 375 GLU HB3 . 19044 1 84 . 1 1 27 27 GLU HG2 H 1 1.84 0.03 . 2 . . . . 375 GLU HG2 . 19044 1 85 . 1 1 27 27 GLU HG3 H 1 2.32 0.03 . 2 . . . . 375 GLU HG3 . 19044 1 86 . 1 1 27 27 GLU C C 13 176.23 0.1 . 1 . . . . 375 GLU C . 19044 1 87 . 1 1 27 27 GLU CA C 13 57.32 0.05 . 1 . . . . 375 GLU CA . 19044 1 88 . 1 1 27 27 GLU CB C 13 30.51 0.05 . 1 . . . . 375 GLU CB . 19044 1 89 . 1 1 27 27 GLU CG C 13 37.77 0.1 . 1 . . . . 375 GLU CG . 19044 1 90 . 1 1 27 27 GLU N N 15 119.45 0.02 . 1 . . . . 375 GLU N . 19044 1 91 . 1 1 28 28 ILE H H 1 9.08 0.03 . 1 . . . . 376 ILE H . 19044 1 92 . 1 1 28 28 ILE HA H 1 4.26 0.03 . 1 . . . . 376 ILE HA . 19044 1 93 . 1 1 28 28 ILE HB H 1 1.74 0.03 . 1 . . . . 376 ILE HB . 19044 1 94 . 1 1 28 28 ILE HG12 H 1 1.08 0.03 . 2 . . . . 376 ILE HG12 . 19044 1 95 . 1 1 28 28 ILE HG13 H 1 1.09 0.03 . 2 . . . . 376 ILE HG13 . 19044 1 96 . 1 1 28 28 ILE HG21 H 1 0.89 0.03 . 1 . . . . 376 ILE HG2 . 19044 1 97 . 1 1 28 28 ILE HG22 H 1 0.89 0.03 . 1 . . . . 376 ILE HG2 . 19044 1 98 . 1 1 28 28 ILE HG23 H 1 0.89 0.03 . 1 . . . . 376 ILE HG2 . 19044 1 99 . 1 1 28 28 ILE HD11 H 1 0.88 0.03 . 1 . . . . 376 ILE HD1 . 19044 1 100 . 1 1 28 28 ILE HD12 H 1 0.88 0.03 . 1 . . . . 376 ILE HD1 . 19044 1 101 . 1 1 28 28 ILE HD13 H 1 0.88 0.03 . 1 . . . . 376 ILE HD1 . 19044 1 102 . 1 1 28 28 ILE C C 13 174.76 0.1 . 1 . . . . 376 ILE C . 19044 1 103 . 1 1 28 28 ILE CA C 13 60.6 0.05 . 1 . . . . 376 ILE CA . 19044 1 104 . 1 1 28 28 ILE CB C 13 40.68 0.07 . 1 . . . . 376 ILE CB . 19044 1 105 . 1 1 28 28 ILE CG1 C 13 27.57 0.1 . 1 . . . . 376 ILE CG1 . 19044 1 106 . 1 1 28 28 ILE CG2 C 13 17.91 0.1 . 1 . . . . 376 ILE CG2 . 19044 1 107 . 1 1 28 28 ILE CD1 C 13 14.16 0.1 . 1 . . . . 376 ILE CD1 . 19044 1 108 . 1 1 28 28 ILE N N 15 127.44 0.03 . 1 . . . . 376 ILE N . 19044 1 109 . 1 1 29 29 ASN H H 1 8.68 0.03 . 1 . . . . 377 ASN H . 19044 1 110 . 1 1 29 29 ASN HA H 1 5.85 0.03 . 1 . . . . 377 ASN HA . 19044 1 111 . 1 1 29 29 ASN HB2 H 1 2.5 0.03 . 2 . . . . 377 ASN HB2 . 19044 1 112 . 1 1 29 29 ASN HB3 H 1 2.76 0.03 . 2 . . . . 377 ASN HB3 . 19044 1 113 . 1 1 29 29 ASN C C 13 174.95 0.1 . 1 . . . . 377 ASN C . 19044 1 114 . 1 1 29 29 ASN CA C 13 51.84 0.1 . 1 . . . . 377 ASN CA . 19044 1 115 . 1 1 29 29 ASN CB C 13 41.69 0.07 . 1 . . . . 377 ASN CB . 19044 1 116 . 1 1 29 29 ASN N N 15 125.61 0.03 . 1 . . . . 377 ASN N . 19044 1 117 . 1 1 30 30 ILE H H 1 9.23 0.03 . 1 . . . . 378 ILE H . 19044 1 118 . 1 1 30 30 ILE HA H 1 4.47 0.03 . 1 . . . . 378 ILE HA . 19044 1 119 . 1 1 30 30 ILE HB H 1 1.83 0.03 . 1 . . . . 378 ILE HB . 19044 1 120 . 1 1 30 30 ILE HG12 H 1 1.01 0.03 . 2 . . . . 378 ILE HG12 . 19044 1 121 . 1 1 30 30 ILE HG13 H 1 1.27 0.03 . 2 . . . . 378 ILE HG13 . 19044 1 122 . 1 1 30 30 ILE HG21 H 1 1.04 0.03 . 1 . . . . 378 ILE HG2 . 19044 1 123 . 1 1 30 30 ILE HG22 H 1 1.04 0.03 . 1 . . . . 378 ILE HG2 . 19044 1 124 . 1 1 30 30 ILE HG23 H 1 1.04 0.03 . 1 . . . . 378 ILE HG2 . 19044 1 125 . 1 1 30 30 ILE HD11 H 1 0.8 0.03 . 1 . . . . 378 ILE HD1 . 19044 1 126 . 1 1 30 30 ILE HD12 H 1 0.8 0.03 . 1 . . . . 378 ILE HD1 . 19044 1 127 . 1 1 30 30 ILE HD13 H 1 0.8 0.03 . 1 . . . . 378 ILE HD1 . 19044 1 128 . 1 1 30 30 ILE C C 13 175.42 0.1 . 1 . . . . 378 ILE C . 19044 1 129 . 1 1 30 30 ILE CA C 13 60.61 0.03 . 1 . . . . 378 ILE CA . 19044 1 130 . 1 1 30 30 ILE CB C 13 41.21 0.06 . 1 . . . . 378 ILE CB . 19044 1 131 . 1 1 30 30 ILE CG1 C 13 26.86 0.1 . 1 . . . . 378 ILE CG1 . 19044 1 132 . 1 1 30 30 ILE CG2 C 13 16.92 0.1 . 1 . . . . 378 ILE CG2 . 19044 1 133 . 1 1 30 30 ILE CD1 C 13 15.2 0.1 . 1 . . . . 378 ILE CD1 . 19044 1 134 . 1 1 30 30 ILE N N 15 122.61 0.05 . 1 . . . . 378 ILE N . 19044 1 135 . 1 1 31 31 THR H H 1 8.81 0.03 . 1 . . . . 379 THR H . 19044 1 136 . 1 1 31 31 THR HA H 1 4.49 0.03 . 1 . . . . 379 THR HA . 19044 1 137 . 1 1 31 31 THR HB H 1 4.49 0.03 . 1 . . . . 379 THR HB . 19044 1 138 . 1 1 31 31 THR HG21 H 1 1.4 0.03 . 1 . . . . 379 THR HG2 . 19044 1 139 . 1 1 31 31 THR HG22 H 1 1.4 0.03 . 1 . . . . 379 THR HG2 . 19044 1 140 . 1 1 31 31 THR HG23 H 1 1.4 0.03 . 1 . . . . 379 THR HG2 . 19044 1 141 . 1 1 31 31 THR C C 13 173.96 0.1 . 1 . . . . 379 THR C . 19044 1 142 . 1 1 31 31 THR CA C 13 64.77 0.03 . 1 . . . . 379 THR CA . 19044 1 143 . 1 1 31 31 THR CB C 13 68.95 0.07 . 1 . . . . 379 THR CB . 19044 1 144 . 1 1 31 31 THR CG2 C 13 22.01 0.1 . 1 . . . . 379 THR CG2 . 19044 1 145 . 1 1 31 31 THR N N 15 126.17 0.03 . 1 . . . . 379 THR N . 19044 1 146 . 1 1 32 32 VAL H H 1 8.43 0.03 . 1 . . . . 380 VAL H . 19044 1 147 . 1 1 32 32 VAL HA H 1 4.76 0.03 . 1 . . . . 380 VAL HA . 19044 1 148 . 1 1 32 32 VAL HB H 1 2.36 0.03 . 1 . . . . 380 VAL HB . 19044 1 149 . 1 1 32 32 VAL HG11 H 1 0.68 0.03 . 2 . . . . 380 VAL HG1 . 19044 1 150 . 1 1 32 32 VAL HG12 H 1 0.68 0.03 . 2 . . . . 380 VAL HG1 . 19044 1 151 . 1 1 32 32 VAL HG13 H 1 0.68 0.03 . 2 . . . . 380 VAL HG1 . 19044 1 152 . 1 1 32 32 VAL HG21 H 1 0.88 0.03 . 2 . . . . 380 VAL HG2 . 19044 1 153 . 1 1 32 32 VAL HG22 H 1 0.88 0.03 . 2 . . . . 380 VAL HG2 . 19044 1 154 . 1 1 32 32 VAL HG23 H 1 0.88 0.03 . 2 . . . . 380 VAL HG2 . 19044 1 155 . 1 1 32 32 VAL C C 13 174.23 0.1 . 1 . . . . 380 VAL C . 19044 1 156 . 1 1 32 32 VAL CA C 13 59.08 0.03 . 1 . . . . 380 VAL CA . 19044 1 157 . 1 1 32 32 VAL CB C 13 33.02 0.06 . 1 . . . . 380 VAL CB . 19044 1 158 . 1 1 32 32 VAL CG1 C 13 18.71 0.1 . 2 . . . . 380 VAL CG1 . 19044 1 159 . 1 1 32 32 VAL CG2 C 13 23.23 0.1 . 2 . . . . 380 VAL CG2 . 19044 1 160 . 1 1 32 32 VAL N N 15 122.72 0.03 . 1 . . . . 380 VAL N . 19044 1 161 . 1 1 33 33 THR H H 1 7.57 0.03 . 1 . . . . 381 THR H . 19044 1 162 . 1 1 33 33 THR HA H 1 4.72 0.03 . 1 . . . . 381 THR HA . 19044 1 163 . 1 1 33 33 THR HB H 1 4.73 0.03 . 1 . . . . 381 THR HB . 19044 1 164 . 1 1 33 33 THR HG21 H 1 1.34 0.03 . 1 . . . . 381 THR HG2 . 19044 1 165 . 1 1 33 33 THR HG22 H 1 1.34 0.03 . 1 . . . . 381 THR HG2 . 19044 1 166 . 1 1 33 33 THR HG23 H 1 1.34 0.03 . 1 . . . . 381 THR HG2 . 19044 1 167 . 1 1 33 33 THR C C 13 175.78 0.1 . 1 . . . . 381 THR C . 19044 1 168 . 1 1 33 33 THR CA C 13 60.37 0.03 . 1 . . . . 381 THR CA . 19044 1 169 . 1 1 33 33 THR CB C 13 71.4 0.03 . 1 . . . . 381 THR CB . 19044 1 170 . 1 1 33 33 THR CG2 C 13 22.05 0.1 . 1 . . . . 381 THR CG2 . 19044 1 171 . 1 1 33 33 THR N N 15 110.74 0.05 . 1 . . . . 381 THR N . 19044 1 172 . 1 1 34 34 GLU H H 1 9.29 0.03 . 1 . . . . 382 GLU H . 19044 1 173 . 1 1 34 34 GLU HA H 1 4.13 0.03 . 1 . . . . 382 GLU HA . 19044 1 174 . 1 1 34 34 GLU HB2 H 1 2.12 0.03 . 2 . . . . 382 GLU HB2 . 19044 1 175 . 1 1 34 34 GLU HB3 H 1 2.14 0.03 . 2 . . . . 382 GLU HB3 . 19044 1 176 . 1 1 34 34 GLU HG2 H 1 2.41 0.03 . 2 . . . . 382 GLU HG2 . 19044 1 177 . 1 1 34 34 GLU HG3 H 1 2.41 0.03 . 2 . . . . 382 GLU HG3 . 19044 1 178 . 1 1 34 34 GLU C C 13 178.09 0.1 . 1 . . . . 382 GLU C . 19044 1 179 . 1 1 34 34 GLU CA C 13 59.9 0.34 . 1 . . . . 382 GLU CA . 19044 1 180 . 1 1 34 34 GLU CB C 13 29.42 0.11 . 1 . . . . 382 GLU CB . 19044 1 181 . 1 1 34 34 GLU CG C 13 35.46 0.1 . 1 . . . . 382 GLU CG . 19044 1 182 . 1 1 34 34 GLU N N 15 123.98 0.02 . 1 . . . . 382 GLU N . 19044 1 183 . 1 1 35 35 ASP H H 1 8.28 0.03 . 1 . . . . 383 ASP H . 19044 1 184 . 1 1 35 35 ASP HA H 1 4.68 0.03 . 1 . . . . 383 ASP HA . 19044 1 185 . 1 1 35 35 ASP HB2 H 1 2.38 0.03 . 2 . . . . 383 ASP HB2 . 19044 1 186 . 1 1 35 35 ASP HB3 H 1 2.73 0.03 . 2 . . . . 383 ASP HB3 . 19044 1 187 . 1 1 35 35 ASP C C 13 177.98 0.1 . 1 . . . . 383 ASP C . 19044 1 188 . 1 1 35 35 ASP CA C 13 55.93 0.07 . 1 . . . . 383 ASP CA . 19044 1 189 . 1 1 35 35 ASP CB C 13 40.58 0.29 . 1 . . . . 383 ASP CB . 19044 1 190 . 1 1 35 35 ASP N N 15 114.27 0.03 . 1 . . . . 383 ASP N . 19044 1 191 . 1 1 36 36 SER H H 1 7.84 0.03 . 1 . . . . 384 SER H . 19044 1 192 . 1 1 36 36 SER HA H 1 4.84 0.03 . 1 . . . . 384 SER HA . 19044 1 193 . 1 1 36 36 SER HB2 H 1 4.48 0.03 . 2 . . . . 384 SER HB2 . 19044 1 194 . 1 1 36 36 SER HB3 H 1 4.66 0.03 . 2 . . . . 384 SER HB3 . 19044 1 195 . 1 1 36 36 SER HG H 1 4.96 0.03 . 1 . . . . 384 SER HG . 19044 1 196 . 1 1 36 36 SER C C 13 175.83 0.1 . 1 . . . . 384 SER C . 19044 1 197 . 1 1 36 36 SER CA C 13 59.66 0.06 . 1 . . . . 384 SER CA . 19044 1 198 . 1 1 36 36 SER CB C 13 64.82 0.15 . 1 . . . . 384 SER CB . 19044 1 199 . 1 1 36 36 SER N N 15 115.02 0.02 . 1 . . . . 384 SER N . 19044 1 200 . 1 1 37 37 LYS H H 1 7.59 0.03 . 1 . . . . 385 LYS H . 19044 1 201 . 1 1 37 37 LYS HA H 1 3.83 0.03 . 1 . . . . 385 LYS HA . 19044 1 202 . 1 1 37 37 LYS HB2 H 1 1.75 0.03 . 2 . . . . 385 LYS HB2 . 19044 1 203 . 1 1 37 37 LYS HB3 H 1 1.8 0.03 . 2 . . . . 385 LYS HB3 . 19044 1 204 . 1 1 37 37 LYS HG2 H 1 0.74 0.03 . 2 . . . . 385 LYS HG2 . 19044 1 205 . 1 1 37 37 LYS HG3 H 1 1.07 0.03 . 2 . . . . 385 LYS HG3 . 19044 1 206 . 1 1 37 37 LYS HD2 H 1 1.48 0.03 . 2 . . . . 385 LYS HD2 . 19044 1 207 . 1 1 37 37 LYS HD3 H 1 1.64 0.03 . 2 . . . . 385 LYS HD3 . 19044 1 208 . 1 1 37 37 LYS HE2 H 1 2.56 0.03 . 2 . . . . 385 LYS HE2 . 19044 1 209 . 1 1 37 37 LYS HE3 H 1 2.83 0.03 . 2 . . . . 385 LYS HE3 . 19044 1 210 . 1 1 37 37 LYS C C 13 175.88 0.1 . 1 . . . . 385 LYS C . 19044 1 211 . 1 1 37 37 LYS CA C 13 60.88 0.14 . 1 . . . . 385 LYS CA . 19044 1 212 . 1 1 37 37 LYS CB C 13 32.46 0.06 . 1 . . . . 385 LYS CB . 19044 1 213 . 1 1 37 37 LYS CG C 13 23.57 0.1 . 1 . . . . 385 LYS CG . 19044 1 214 . 1 1 37 37 LYS CD C 13 30.68 0.1 . 1 . . . . 385 LYS CD . 19044 1 215 . 1 1 37 37 LYS CE C 13 42.29 0.1 . 1 . . . . 385 LYS CE . 19044 1 216 . 1 1 37 37 LYS N N 15 122.57 0.04 . 1 . . . . 385 LYS N . 19044 1 217 . 1 1 38 38 PHE H H 1 7.71 0.03 . 1 . . . . 386 PHE H . 19044 1 218 . 1 1 38 38 PHE HA H 1 4.48 0.03 . 1 . . . . 386 PHE HA . 19044 1 219 . 1 1 38 38 PHE HB2 H 1 3 0.03 . 2 . . . . 386 PHE HB2 . 19044 1 220 . 1 1 38 38 PHE HB3 H 1 3.37 0.03 . 2 . . . . 386 PHE HB3 . 19044 1 221 . 1 1 38 38 PHE HD1 H 1 7.31 0.03 . 3 . . . . 386 PHE HD . 19044 1 222 . 1 1 38 38 PHE HD2 H 1 7.31 0.03 . 3 . . . . 386 PHE HD . 19044 1 223 . 1 1 38 38 PHE HE1 H 1 7.37 0.03 . 3 . . . . 386 PHE HE . 19044 1 224 . 1 1 38 38 PHE HE2 H 1 7.37 0.03 . 3 . . . . 386 PHE HE . 19044 1 225 . 1 1 38 38 PHE C C 13 178.34 0.1 . 1 . . . . 386 PHE C . 19044 1 226 . 1 1 38 38 PHE CA C 13 60.77 0.1 . 1 . . . . 386 PHE CA . 19044 1 227 . 1 1 38 38 PHE CB C 13 38.09 0.16 . 1 . . . . 386 PHE CB . 19044 1 228 . 1 1 38 38 PHE CD1 C 13 129.92 0.02 . 1 . . . . 386 PHE CD . 19044 1 229 . 1 1 38 38 PHE CD2 C 13 129.92 0.02 . 1 . . . . 386 PHE CD . 19044 1 230 . 1 1 38 38 PHE CE1 C 13 131.97 0.1 . 1 . . . . 386 PHE CE . 19044 1 231 . 1 1 38 38 PHE CE2 C 13 131.97 0.1 . 1 . . . . 386 PHE CE . 19044 1 232 . 1 1 38 38 PHE N N 15 114.88 0.04 . 1 . . . . 386 PHE N . 19044 1 233 . 1 1 39 39 ALA H H 1 7.7 0.03 . 1 . . . . 387 ALA H . 19044 1 234 . 1 1 39 39 ALA HA H 1 4.32 0.03 . 1 . . . . 387 ALA HA . 19044 1 235 . 1 1 39 39 ALA HB1 H 1 1.64 0.03 . 1 . . . . 387 ALA HB . 19044 1 236 . 1 1 39 39 ALA HB2 H 1 1.64 0.03 . 1 . . . . 387 ALA HB . 19044 1 237 . 1 1 39 39 ALA HB3 H 1 1.64 0.03 . 1 . . . . 387 ALA HB . 19044 1 238 . 1 1 39 39 ALA C C 13 181.29 0.1 . 1 . . . . 387 ALA C . 19044 1 239 . 1 1 39 39 ALA CA C 13 55.16 0.15 . 1 . . . . 387 ALA CA . 19044 1 240 . 1 1 39 39 ALA CB C 13 18.05 0.08 . 1 . . . . 387 ALA CB . 19044 1 241 . 1 1 39 39 ALA N N 15 125.07 0.04 . 1 . . . . 387 ALA N . 19044 1 242 . 1 1 40 40 ILE H H 1 8.54 0.03 . 1 . . . . 388 ILE H . 19044 1 243 . 1 1 40 40 ILE HA H 1 3.81 0.03 . 1 . . . . 388 ILE HA . 19044 1 244 . 1 1 40 40 ILE HB H 1 1.94 0.03 . 1 . . . . 388 ILE HB . 19044 1 245 . 1 1 40 40 ILE HG12 H 1 1.63 0.03 . 2 . . . . 388 ILE HG12 . 19044 1 246 . 1 1 40 40 ILE HG13 H 1 1.75 0.03 . 2 . . . . 388 ILE HG13 . 19044 1 247 . 1 1 40 40 ILE HG21 H 1 1.07 0.03 . 1 . . . . 388 ILE HG2 . 19044 1 248 . 1 1 40 40 ILE HG22 H 1 1.07 0.03 . 1 . . . . 388 ILE HG2 . 19044 1 249 . 1 1 40 40 ILE HG23 H 1 1.07 0.03 . 1 . . . . 388 ILE HG2 . 19044 1 250 . 1 1 40 40 ILE HD11 H 1 0.94 0.03 . 1 . . . . 388 ILE HD1 . 19044 1 251 . 1 1 40 40 ILE HD12 H 1 0.94 0.03 . 1 . . . . 388 ILE HD1 . 19044 1 252 . 1 1 40 40 ILE HD13 H 1 0.94 0.03 . 1 . . . . 388 ILE HD1 . 19044 1 253 . 1 1 40 40 ILE C C 13 177.41 0.1 . 1 . . . . 388 ILE C . 19044 1 254 . 1 1 40 40 ILE CA C 13 65.32 0.04 . 1 . . . . 388 ILE CA . 19044 1 255 . 1 1 40 40 ILE CB C 13 38.09 0.04 . 1 . . . . 388 ILE CB . 19044 1 256 . 1 1 40 40 ILE CG1 C 13 29.72 0.1 . 1 . . . . 388 ILE CG1 . 19044 1 257 . 1 1 40 40 ILE CG2 C 13 17.3 0.1 . 1 . . . . 388 ILE CG2 . 19044 1 258 . 1 1 40 40 ILE CD1 C 13 14.68 0.1 . 1 . . . . 388 ILE CD1 . 19044 1 259 . 1 1 40 40 ILE N N 15 120.35 0.03 . 1 . . . . 388 ILE N . 19044 1 260 . 1 1 41 41 ILE H H 1 7.03 0.03 . 1 . . . . 389 ILE H . 19044 1 261 . 1 1 41 41 ILE HA H 1 3.81 0.02 . 1 . . . . 389 ILE HA . 19044 1 262 . 1 1 41 41 ILE HB H 1 2.38 0.01 . 1 . . . . 389 ILE HB . 19044 1 263 . 1 1 41 41 ILE HG12 H 1 1.61 0.03 . 2 . . . . 389 ILE HG12 . 19044 1 264 . 1 1 41 41 ILE HG13 H 1 1.85 0.03 . 2 . . . . 389 ILE HG13 . 19044 1 265 . 1 1 41 41 ILE HG21 H 1 1.06 0.03 . 1 . . . . 389 ILE HG2 . 19044 1 266 . 1 1 41 41 ILE HG22 H 1 1.06 0.03 . 1 . . . . 389 ILE HG2 . 19044 1 267 . 1 1 41 41 ILE HG23 H 1 1.06 0.03 . 1 . . . . 389 ILE HG2 . 19044 1 268 . 1 1 41 41 ILE HD11 H 1 0.83 0.03 . 1 . . . . 389 ILE HD1 . 19044 1 269 . 1 1 41 41 ILE HD12 H 1 0.83 0.03 . 1 . . . . 389 ILE HD1 . 19044 1 270 . 1 1 41 41 ILE HD13 H 1 0.83 0.03 . 1 . . . . 389 ILE HD1 . 19044 1 271 . 1 1 41 41 ILE C C 13 177.88 0.1 . 1 . . . . 389 ILE C . 19044 1 272 . 1 1 41 41 ILE CA C 13 62.95 0.03 . 1 . . . . 389 ILE CA . 19044 1 273 . 1 1 41 41 ILE CB C 13 35.79 0.07 . 1 . . . . 389 ILE CB . 19044 1 274 . 1 1 41 41 ILE CG1 C 13 27.46 0.1 . 1 . . . . 389 ILE CG1 . 19044 1 275 . 1 1 41 41 ILE CG2 C 13 17.86 0.1 . 1 . . . . 389 ILE CG2 . 19044 1 276 . 1 1 41 41 ILE CD1 C 13 10.72 0.1 . 1 . . . . 389 ILE CD1 . 19044 1 277 . 1 1 41 41 ILE N N 15 118.44 0.03 . 1 . . . . 389 ILE N . 19044 1 278 . 1 1 42 42 GLU H H 1 8.22 0.03 . 1 . . . . 390 GLU H . 19044 1 279 . 1 1 42 42 GLU HA H 1 4.14 0.03 . 1 . . . . 390 GLU HA . 19044 1 280 . 1 1 42 42 GLU HB2 H 1 2.14 0.03 . 2 . . . . 390 GLU HB2 . 19044 1 281 . 1 1 42 42 GLU HB3 H 1 2.15 0.03 . 2 . . . . 390 GLU HB3 . 19044 1 282 . 1 1 42 42 GLU HG2 H 1 2.3 0.03 . 2 . . . . 390 GLU HG2 . 19044 1 283 . 1 1 42 42 GLU HG3 H 1 2.49 0.03 . 2 . . . . 390 GLU HG3 . 19044 1 284 . 1 1 42 42 GLU C C 13 178.94 0.1 . 1 . . . . 390 GLU C . 19044 1 285 . 1 1 42 42 GLU CA C 13 59.78 0.05 . 1 . . . . 390 GLU CA . 19044 1 286 . 1 1 42 42 GLU CB C 13 29.59 0.03 . 1 . . . . 390 GLU CB . 19044 1 287 . 1 1 42 42 GLU CG C 13 36.71 0.1 . 1 . . . . 390 GLU CG . 19044 1 288 . 1 1 42 42 GLU N N 15 119.73 0.13 . 1 . . . . 390 GLU N . 19044 1 289 . 1 1 43 43 ALA H H 1 8.06 0.03 . 1 . . . . 391 ALA H . 19044 1 290 . 1 1 43 43 ALA HA H 1 4.26 0.02 . 1 . . . . 391 ALA HA . 19044 1 291 . 1 1 43 43 ALA HB1 H 1 1.69 0.01 . 1 . . . . 391 ALA HB . 19044 1 292 . 1 1 43 43 ALA HB2 H 1 1.69 0.01 . 1 . . . . 391 ALA HB . 19044 1 293 . 1 1 43 43 ALA HB3 H 1 1.69 0.01 . 1 . . . . 391 ALA HB . 19044 1 294 . 1 1 43 43 ALA C C 13 180.93 0.1 . 1 . . . . 391 ALA C . 19044 1 295 . 1 1 43 43 ALA CA C 13 55.44 0.15 . 1 . . . . 391 ALA CA . 19044 1 296 . 1 1 43 43 ALA CB C 13 18.93 0.08 . 1 . . . . 391 ALA CB . 19044 1 297 . 1 1 43 43 ALA N N 15 122.02 0.03 . 1 . . . . 391 ALA N . 19044 1 298 . 1 1 44 44 LEU H H 1 8.44 0.03 . 1 . . . . 392 LEU H . 19044 1 299 . 1 1 44 44 LEU HA H 1 4.21 0.03 . 1 . . . . 392 LEU HA . 19044 1 300 . 1 1 44 44 LEU HB2 H 1 2.23 0.03 . 2 . . . . 392 LEU HB2 . 19044 1 301 . 1 1 44 44 LEU HB3 H 1 2.36 0.03 . 2 . . . . 392 LEU HB3 . 19044 1 302 . 1 1 44 44 LEU HG H 1 1.68 0.03 . 1 . . . . 392 LEU HG . 19044 1 303 . 1 1 44 44 LEU HD11 H 1 0.92 0.03 . 2 . . . . 392 LEU HD1 . 19044 1 304 . 1 1 44 44 LEU HD12 H 1 0.92 0.03 . 2 . . . . 392 LEU HD1 . 19044 1 305 . 1 1 44 44 LEU HD13 H 1 0.92 0.03 . 2 . . . . 392 LEU HD1 . 19044 1 306 . 1 1 44 44 LEU HD21 H 1 1.04 0.03 . 2 . . . . 392 LEU HD2 . 19044 1 307 . 1 1 44 44 LEU HD22 H 1 1.04 0.03 . 2 . . . . 392 LEU HD2 . 19044 1 308 . 1 1 44 44 LEU HD23 H 1 1.04 0.03 . 2 . . . . 392 LEU HD2 . 19044 1 309 . 1 1 44 44 LEU C C 13 178.34 0.1 . 1 . . . . 392 LEU C . 19044 1 310 . 1 1 44 44 LEU CA C 13 57.46 0.08 . 1 . . . . 392 LEU CA . 19044 1 311 . 1 1 44 44 LEU CB C 13 42.58 0.21 . 1 . . . . 392 LEU CB . 19044 1 312 . 1 1 44 44 LEU CG C 13 26.85 0.1 . 1 . . . . 392 LEU CG . 19044 1 313 . 1 1 44 44 LEU CD1 C 13 23.35 0.1 . 2 . . . . 392 LEU CD1 . 19044 1 314 . 1 1 44 44 LEU CD2 C 13 26.85 0.1 . 2 . . . . 392 LEU CD2 . 19044 1 315 . 1 1 44 44 LEU N N 15 119.1 0.02 . 1 . . . . 392 LEU N . 19044 1 316 . 1 1 45 45 GLN H H 1 8.09 0.03 . 1 . . . . 393 GLN H . 19044 1 317 . 1 1 45 45 GLN HA H 1 4.15 0.03 . 1 . . . . 393 GLN HA . 19044 1 318 . 1 1 45 45 GLN HB2 H 1 2.09 0.03 . 2 . . . . 393 GLN HB2 . 19044 1 319 . 1 1 45 45 GLN HB3 H 1 2.25 0.03 . 2 . . . . 393 GLN HB3 . 19044 1 320 . 1 1 45 45 GLN HG2 H 1 2.52 0.03 . 2 . . . . 393 GLN HG2 . 19044 1 321 . 1 1 45 45 GLN HG3 H 1 2.75 0.03 . 2 . . . . 393 GLN HG3 . 19044 1 322 . 1 1 45 45 GLN C C 13 177.22 0.1 . 1 . . . . 393 GLN C . 19044 1 323 . 1 1 45 45 GLN CA C 13 58.21 0.01 . 1 . . . . 393 GLN CA . 19044 1 324 . 1 1 45 45 GLN CB C 13 29.01 0.07 . 1 . . . . 393 GLN CB . 19044 1 325 . 1 1 45 45 GLN CG C 13 34.72 0.1 . 1 . . . . 393 GLN CG . 19044 1 326 . 1 1 45 45 GLN N N 15 115.82 0.06 . 1 . . . . 393 GLN N . 19044 1 327 . 1 1 46 46 ARG H H 1 7.95 0.03 . 1 . . . . 394 ARG H . 19044 1 328 . 1 1 46 46 ARG HA H 1 4.46 0.03 . 1 . . . . 394 ARG HA . 19044 1 329 . 1 1 46 46 ARG HB2 H 1 1.9 0.03 . 2 . . . . 394 ARG HB2 . 19044 1 330 . 1 1 46 46 ARG HB3 H 1 1.9 0.03 . 2 . . . . 394 ARG HB3 . 19044 1 331 . 1 1 46 46 ARG HG2 H 1 1.71 0.03 . 2 . . . . 394 ARG HG2 . 19044 1 332 . 1 1 46 46 ARG HG3 H 1 1.72 0.03 . 2 . . . . 394 ARG HG3 . 19044 1 333 . 1 1 46 46 ARG HD2 H 1 3.3 0.03 . 2 . . . . 394 ARG HD2 . 19044 1 334 . 1 1 46 46 ARG HD3 H 1 3.31 0.03 . 2 . . . . 394 ARG HD3 . 19044 1 335 . 1 1 46 46 ARG C C 13 177.2 0.1 . 1 . . . . 394 ARG C . 19044 1 336 . 1 1 46 46 ARG CA C 13 58.31 0.08 . 1 . . . . 394 ARG CA . 19044 1 337 . 1 1 46 46 ARG CB C 13 32.54 0.06 . 1 . . . . 394 ARG CB . 19044 1 338 . 1 1 46 46 ARG CG C 13 28.11 0.1 . 1 . . . . 394 ARG CG . 19044 1 339 . 1 1 46 46 ARG CD C 13 43.7 0.1 . 1 . . . . 394 ARG CD . 19044 1 340 . 1 1 46 46 ARG N N 15 118.01 0.05 . 1 . . . . 394 ARG N . 19044 1 341 . 1 1 47 47 ASP H H 1 8.56 0.03 . 1 . . . . 395 ASP H . 19044 1 342 . 1 1 47 47 ASP HA H 1 4.88 0.03 . 1 . . . . 395 ASP HA . 19044 1 343 . 1 1 47 47 ASP HB2 H 1 2.75 0.03 . 2 . . . . 395 ASP HB2 . 19044 1 344 . 1 1 47 47 ASP HB3 H 1 2.76 0.03 . 2 . . . . 395 ASP HB3 . 19044 1 345 . 1 1 47 47 ASP C C 13 176.8 0.1 . 1 . . . . 395 ASP C . 19044 1 346 . 1 1 47 47 ASP CA C 13 55.41 0.07 . 1 . . . . 395 ASP CA . 19044 1 347 . 1 1 47 47 ASP CB C 13 43.08 0.1 . 1 . . . . 395 ASP CB . 19044 1 348 . 1 1 47 47 ASP N N 15 118.01 0.05 . 1 . . . . 395 ASP N . 19044 1 349 . 1 1 48 48 ALA H H 1 7.37 0.03 . 1 . . . . 396 ALA H . 19044 1 350 . 1 1 48 48 ALA HA H 1 4.11 0.01 . 1 . . . . 396 ALA HA . 19044 1 351 . 1 1 48 48 ALA HB1 H 1 1.11 0.01 . 1 . . . . 396 ALA HB . 19044 1 352 . 1 1 48 48 ALA HB2 H 1 1.11 0.01 . 1 . . . . 396 ALA HB . 19044 1 353 . 1 1 48 48 ALA HB3 H 1 1.11 0.01 . 1 . . . . 396 ALA HB . 19044 1 354 . 1 1 48 48 ALA C C 13 175.97 0.1 . 1 . . . . 396 ALA C . 19044 1 355 . 1 1 48 48 ALA CA C 13 52.71 0.15 . 1 . . . . 396 ALA CA . 19044 1 356 . 1 1 48 48 ALA CB C 13 20.32 0.07 . 1 . . . . 396 ALA CB . 19044 1 357 . 1 1 48 48 ALA N N 15 122.75 0.04 . 1 . . . . 396 ALA N . 19044 1 358 . 1 1 49 49 GLN H H 1 7.36 0.03 . 1 . . . . 397 GLN H . 19044 1 359 . 1 1 49 49 GLN HA H 1 4.43 0.03 . 1 . . . . 397 GLN HA . 19044 1 360 . 1 1 49 49 GLN HB2 H 1 2.11 0.03 . 2 . . . . 397 GLN HB2 . 19044 1 361 . 1 1 49 49 GLN HB3 H 1 2.11 0.03 . 2 . . . . 397 GLN HB3 . 19044 1 362 . 1 1 49 49 GLN HG2 H 1 2.3 0.03 . 2 . . . . 397 GLN HG2 . 19044 1 363 . 1 1 49 49 GLN HG3 H 1 2.31 0.03 . 2 . . . . 397 GLN HG3 . 19044 1 364 . 1 1 49 49 GLN C C 13 175.51 0.1 . 1 . . . . 397 GLN C . 19044 1 365 . 1 1 49 49 GLN CA C 13 54.32 0.1 . 1 . . . . 397 GLN CA . 19044 1 366 . 1 1 49 49 GLN CB C 13 30.06 0.09 . 1 . . . . 397 GLN CB . 19044 1 367 . 1 1 49 49 GLN CG C 13 33.52 0.1 . 1 . . . . 397 GLN CG . 19044 1 368 . 1 1 49 49 GLN N N 15 119.08 0.02 . 1 . . . . 397 GLN N . 19044 1 369 . 1 1 50 50 TRP H H 1 8.36 0.03 . 1 . . . . 398 TRP H . 19044 1 370 . 1 1 50 50 TRP HA H 1 4.74 0.03 . 1 . . . . 398 TRP HA . 19044 1 371 . 1 1 50 50 TRP HB2 H 1 2.86 0.03 . 2 . . . . 398 TRP HB2 . 19044 1 372 . 1 1 50 50 TRP HB3 H 1 3.51 0.03 . 2 . . . . 398 TRP HB3 . 19044 1 373 . 1 1 50 50 TRP HD1 H 1 7.04 0.03 . 1 . . . . 398 TRP HD1 . 19044 1 374 . 1 1 50 50 TRP C C 13 178.59 0.1 . 1 . . . . 398 TRP C . 19044 1 375 . 1 1 50 50 TRP CA C 13 56.36 0.1 . 1 . . . . 398 TRP CA . 19044 1 376 . 1 1 50 50 TRP CB C 13 30.41 0.02 . 1 . . . . 398 TRP CB . 19044 1 377 . 1 1 50 50 TRP CD1 C 13 128.05 0.06 . 1 . . . . 398 TRP CD1 . 19044 1 378 . 1 1 50 50 TRP CD2 C 13 129.15 0.1 . 1 . . . . 398 TRP CD2 . 19044 1 379 . 1 1 50 50 TRP N N 15 121.86 0.05 . 1 . . . . 398 TRP N . 19044 1 380 . 1 1 51 51 GLY H H 1 8.76 0.03 . 1 . . . . 399 GLY H . 19044 1 381 . 1 1 51 51 GLY HA2 H 1 4.36 0.03 . 2 . . . . 399 GLY HA2 . 19044 1 382 . 1 1 51 51 GLY HA3 H 1 4.59 0.03 . 2 . . . . 399 GLY HA3 . 19044 1 383 . 1 1 51 51 GLY C C 13 174.86 0.1 . 1 . . . . 399 GLY C . 19044 1 384 . 1 1 51 51 GLY CA C 13 46.62 0.1 . 1 . . . . 399 GLY CA . 19044 1 385 . 1 1 51 51 GLY N N 15 113.34 0.04 . 1 . . . . 399 GLY N . 19044 1 386 . 1 1 52 52 GLU H H 1 9.44 0.04 . 1 . . . . 400 GLU H . 19044 1 387 . 1 1 52 52 GLU HA H 1 4.56 0.03 . 1 . . . . 400 GLU HA . 19044 1 388 . 1 1 52 52 GLU HB2 H 1 2.29 0.01 . 2 . . . . 400 GLU HB2 . 19044 1 389 . 1 1 52 52 GLU HB3 H 1 2.3 0.03 . 2 . . . . 400 GLU HB3 . 19044 1 390 . 1 1 52 52 GLU HG2 H 1 2.49 0.03 . 2 . . . . 400 GLU HG2 . 19044 1 391 . 1 1 52 52 GLU HG3 H 1 2.5 0.03 . 2 . . . . 400 GLU HG3 . 19044 1 392 . 1 1 52 52 GLU C C 13 176.23 0.1 . 1 . . . . 400 GLU C . 19044 1 393 . 1 1 52 52 GLU CA C 13 56.67 0.05 . 1 . . . . 400 GLU CA . 19044 1 394 . 1 1 52 52 GLU CB C 13 29.25 0.14 . 1 . . . . 400 GLU CB . 19044 1 395 . 1 1 52 52 GLU CG C 13 36.55 0.1 . 1 . . . . 400 GLU CG . 19044 1 396 . 1 1 52 52 GLU N N 15 126.69 0.37 . 1 . . . . 400 GLU N . 19044 1 397 . 1 1 53 53 GLY H H 1 7.86 0.03 . 1 . . . . 401 GLY H . 19044 1 398 . 1 1 53 53 GLY HA2 H 1 2.81 0.03 . 2 . . . . 401 GLY HA2 . 19044 1 399 . 1 1 53 53 GLY HA3 H 1 3.76 0.03 . 2 . . . . 401 GLY HA3 . 19044 1 400 . 1 1 53 53 GLY C C 13 171.64 0.1 . 1 . . . . 401 GLY C . 19044 1 401 . 1 1 53 53 GLY CA C 13 45.17 0.09 . 1 . . . . 401 GLY CA . 19044 1 402 . 1 1 53 53 GLY N N 15 109.34 0.04 . 1 . . . . 401 GLY N . 19044 1 403 . 1 1 54 54 ASN H H 1 8.54 0.01 . 1 . . . . 402 ASN H . 19044 1 404 . 1 1 54 54 ASN HA H 1 5.09 0.03 . 1 . . . . 402 ASN HA . 19044 1 405 . 1 1 54 54 ASN HB2 H 1 2.71 0.03 . 2 . . . . 402 ASN HB2 . 19044 1 406 . 1 1 54 54 ASN HB3 H 1 2.83 0.03 . 2 . . . . 402 ASN HB3 . 19044 1 407 . 1 1 54 54 ASN C C 13 175.01 0.1 . 1 . . . . 402 ASN C . 19044 1 408 . 1 1 54 54 ASN CA C 13 52.34 0.1 . 1 . . . . 402 ASN CA . 19044 1 409 . 1 1 54 54 ASN CB C 13 40.36 0.09 . 1 . . . . 402 ASN CB . 19044 1 410 . 1 1 54 54 ASN N N 15 120.83 0.03 . 1 . . . . 402 ASN N . 19044 1 411 . 1 1 55 55 ILE H H 1 8.87 0.03 . 1 . . . . 403 ILE H . 19044 1 412 . 1 1 55 55 ILE HA H 1 4.95 0.03 . 1 . . . . 403 ILE HA . 19044 1 413 . 1 1 55 55 ILE HB H 1 1.66 0.03 . 1 . . . . 403 ILE HB . 19044 1 414 . 1 1 55 55 ILE HG12 H 1 1.4 0.03 . 2 . . . . 403 ILE HG12 . 19044 1 415 . 1 1 55 55 ILE HG13 H 1 1.68 0.03 . 2 . . . . 403 ILE HG13 . 19044 1 416 . 1 1 55 55 ILE HG21 H 1 0.87 0.03 . 1 . . . . 403 ILE HG2 . 19044 1 417 . 1 1 55 55 ILE HG22 H 1 0.87 0.03 . 1 . . . . 403 ILE HG2 . 19044 1 418 . 1 1 55 55 ILE HG23 H 1 0.87 0.03 . 1 . . . . 403 ILE HG2 . 19044 1 419 . 1 1 55 55 ILE C C 13 175.96 0.1 . 1 . . . . 403 ILE C . 19044 1 420 . 1 1 55 55 ILE CA C 13 60.8 0.08 . 1 . . . . 403 ILE CA . 19044 1 421 . 1 1 55 55 ILE CB C 13 40.04 0.08 . 1 . . . . 403 ILE CB . 19044 1 422 . 1 1 55 55 ILE CG1 C 13 28.18 0.1 . 1 . . . . 403 ILE CG1 . 19044 1 423 . 1 1 55 55 ILE CG2 C 13 17.72 0.1 . 1 . . . . 403 ILE CG2 . 19044 1 424 . 1 1 55 55 ILE CD1 C 13 15.01 0.1 . 1 . . . . 403 ILE CD1 . 19044 1 425 . 1 1 55 55 ILE N N 15 128.76 0.05 . 1 . . . . 403 ILE N . 19044 1 426 . 1 1 56 56 THR H H 1 9.32 0.03 . 1 . . . . 404 THR H . 19044 1 427 . 1 1 56 56 THR HA H 1 4.72 0.03 . 1 . . . . 404 THR HA . 19044 1 428 . 1 1 56 56 THR HB H 1 4.73 0.03 . 1 . . . . 404 THR HB . 19044 1 429 . 1 1 56 56 THR HG21 H 1 1.29 0.03 . 1 . . . . 404 THR HG2 . 19044 1 430 . 1 1 56 56 THR HG22 H 1 1.29 0.03 . 1 . . . . 404 THR HG2 . 19044 1 431 . 1 1 56 56 THR HG23 H 1 1.29 0.03 . 1 . . . . 404 THR HG2 . 19044 1 432 . 1 1 56 56 THR C C 13 175.45 0.1 . 1 . . . . 404 THR C . 19044 1 433 . 1 1 56 56 THR CA C 13 61.58 0.01 . 1 . . . . 404 THR CA . 19044 1 434 . 1 1 56 56 THR CB C 13 71.25 0.15 . 1 . . . . 404 THR CB . 19044 1 435 . 1 1 56 56 THR N N 15 122.59 0.04 . 1 . . . . 404 THR N . 19044 1 436 . 1 1 57 57 THR H H 1 8.8 0.01 . 1 . . . . 405 THR H . 19044 1 437 . 1 1 57 57 THR HA H 1 5.28 0.03 . 1 . . . . 405 THR HA . 19044 1 438 . 1 1 57 57 THR HB H 1 5.29 0.03 . 1 . . . . 405 THR HB . 19044 1 439 . 1 1 57 57 THR HG21 H 1 1.18 0.03 . 1 . . . . 405 THR HG2 . 19044 1 440 . 1 1 57 57 THR HG22 H 1 1.18 0.03 . 1 . . . . 405 THR HG2 . 19044 1 441 . 1 1 57 57 THR HG23 H 1 1.18 0.03 . 1 . . . . 405 THR HG2 . 19044 1 442 . 1 1 57 57 THR C C 13 174.48 0.1 . 1 . . . . 405 THR C . 19044 1 443 . 1 1 57 57 THR CA C 13 60.33 0.01 . 1 . . . . 405 THR CA . 19044 1 444 . 1 1 57 57 THR CB C 13 68.51 0.1 . 1 . . . . 405 THR CB . 19044 1 445 . 1 1 57 57 THR CG2 C 13 21.57 0.1 . 1 . . . . 405 THR CG2 . 19044 1 446 . 1 1 57 57 THR N N 15 116.29 0.04 . 1 . . . . 405 THR N . 19044 1 447 . 1 1 58 58 LEU H H 1 7.2 0.03 . 1 . . . . 406 LEU H . 19044 1 448 . 1 1 58 58 LEU HA H 1 4.22 0.03 . 1 . . . . 406 LEU HA . 19044 1 449 . 1 1 58 58 LEU HB2 H 1 1.6 0.03 . 2 . . . . 406 LEU HB2 . 19044 1 450 . 1 1 58 58 LEU HB3 H 1 1.62 0.03 . 2 . . . . 406 LEU HB3 . 19044 1 451 . 1 1 58 58 LEU HG H 1 1.61 0.03 . 1 . . . . 406 LEU HG . 19044 1 452 . 1 1 58 58 LEU HD11 H 1 0.91 0.03 . 2 . . . . 406 LEU HD1 . 19044 1 453 . 1 1 58 58 LEU HD12 H 1 0.91 0.03 . 2 . . . . 406 LEU HD1 . 19044 1 454 . 1 1 58 58 LEU HD13 H 1 0.91 0.03 . 2 . . . . 406 LEU HD1 . 19044 1 455 . 1 1 58 58 LEU HD21 H 1 0.92 0.03 . 2 . . . . 406 LEU HD2 . 19044 1 456 . 1 1 58 58 LEU HD22 H 1 0.92 0.03 . 2 . . . . 406 LEU HD2 . 19044 1 457 . 1 1 58 58 LEU HD23 H 1 0.92 0.03 . 2 . . . . 406 LEU HD2 . 19044 1 458 . 1 1 58 58 LEU C C 13 177.05 0.1 . 1 . . . . 406 LEU C . 19044 1 459 . 1 1 58 58 LEU CA C 13 57.16 0.07 . 1 . . . . 406 LEU CA . 19044 1 460 . 1 1 58 58 LEU CB C 13 42.06 0.2 . 1 . . . . 406 LEU CB . 19044 1 461 . 1 1 58 58 LEU CG C 13 27.17 0.1 . 1 . . . . 406 LEU CG . 19044 1 462 . 1 1 58 58 LEU CD1 C 13 22.05 0.1 . 2 . . . . 406 LEU CD1 . 19044 1 463 . 1 1 58 58 LEU CD2 C 13 24.13 0.1 . 2 . . . . 406 LEU CD2 . 19044 1 464 . 1 1 58 58 LEU N N 15 123.45 0.04 . 1 . . . . 406 LEU N . 19044 1 465 . 1 1 59 59 ASP H H 1 8.1 0.03 . 1 . . . . 407 ASP H . 19044 1 466 . 1 1 59 59 ASP HA H 1 4.71 0.03 . 1 . . . . 407 ASP HA . 19044 1 467 . 1 1 59 59 ASP HB2 H 1 2.52 0.03 . 2 . . . . 407 ASP HB2 . 19044 1 468 . 1 1 59 59 ASP HB3 H 1 2.7 0.03 . 2 . . . . 407 ASP HB3 . 19044 1 469 . 1 1 59 59 ASP C C 13 175.1 0.1 . 1 . . . . 407 ASP C . 19044 1 470 . 1 1 59 59 ASP CA C 13 53.68 0.11 . 1 . . . . 407 ASP CA . 19044 1 471 . 1 1 59 59 ASP CB C 13 40.62 0.09 . 1 . . . . 407 ASP CB . 19044 1 472 . 1 1 59 59 ASP N N 15 119.28 0.04 . 1 . . . . 407 ASP N . 19044 1 473 . 1 1 60 60 GLY H H 1 8.13 0.03 . 1 . . . . 408 GLY H . 19044 1 474 . 1 1 60 60 GLY HA2 H 1 3.72 0.03 . 2 . . . . 408 GLY HA2 . 19044 1 475 . 1 1 60 60 GLY HA3 H 1 4.66 0.03 . 2 . . . . 408 GLY HA3 . 19044 1 476 . 1 1 60 60 GLY C C 13 173.03 0.1 . 1 . . . . 408 GLY C . 19044 1 477 . 1 1 60 60 GLY CA C 13 45.58 0.11 . 1 . . . . 408 GLY CA . 19044 1 478 . 1 1 60 60 GLY N N 15 111.87 0.04 . 1 . . . . 408 GLY N . 19044 1 479 . 1 1 61 61 VAL H H 1 9.02 0.03 . 1 . . . . 409 VAL H . 19044 1 480 . 1 1 61 61 VAL HA H 1 4.47 0.03 . 1 . . . . 409 VAL HA . 19044 1 481 . 1 1 61 61 VAL HB H 1 1.99 0.03 . 1 . . . . 409 VAL HB . 19044 1 482 . 1 1 61 61 VAL HG11 H 1 0.64 0.03 . 2 . . . . 409 VAL HG1 . 19044 1 483 . 1 1 61 61 VAL HG12 H 1 0.64 0.03 . 2 . . . . 409 VAL HG1 . 19044 1 484 . 1 1 61 61 VAL HG13 H 1 0.64 0.03 . 2 . . . . 409 VAL HG1 . 19044 1 485 . 1 1 61 61 VAL HG21 H 1 0.95 0.03 . 2 . . . . 409 VAL HG2 . 19044 1 486 . 1 1 61 61 VAL HG22 H 1 0.95 0.03 . 2 . . . . 409 VAL HG2 . 19044 1 487 . 1 1 61 61 VAL HG23 H 1 0.95 0.03 . 2 . . . . 409 VAL HG2 . 19044 1 488 . 1 1 61 61 VAL C C 13 173.17 0.1 . 1 . . . . 409 VAL C . 19044 1 489 . 1 1 61 61 VAL CA C 13 61.97 0.01 . 1 . . . . 409 VAL CA . 19044 1 490 . 1 1 61 61 VAL CB C 13 34.44 0.08 . 1 . . . . 409 VAL CB . 19044 1 491 . 1 1 61 61 VAL CG1 C 13 20.93 0.1 . 2 . . . . 409 VAL CG1 . 19044 1 492 . 1 1 61 61 VAL CG2 C 13 22.44 0.1 . 2 . . . . 409 VAL CG2 . 19044 1 493 . 1 1 61 61 VAL N N 15 122.95 0.04 . 1 . . . . 409 VAL N . 19044 1 494 . 1 1 62 62 ARG H H 1 8.61 0.03 . 1 . . . . 410 ARG H . 19044 1 495 . 1 1 62 62 ARG HA H 1 5.36 0.03 . 1 . . . . 410 ARG HA . 19044 1 496 . 1 1 62 62 ARG HB2 H 1 1.58 0.03 . 2 . . . . 410 ARG HB2 . 19044 1 497 . 1 1 62 62 ARG HB3 H 1 1.76 0.03 . 2 . . . . 410 ARG HB3 . 19044 1 498 . 1 1 62 62 ARG HG2 H 1 1.42 0.03 . 2 . . . . 410 ARG HG2 . 19044 1 499 . 1 1 62 62 ARG HG3 H 1 1.43 0.03 . 2 . . . . 410 ARG HG3 . 19044 1 500 . 1 1 62 62 ARG HD2 H 1 2.62 0.03 . 2 . . . . 410 ARG HD2 . 19044 1 501 . 1 1 62 62 ARG HD3 H 1 2.75 0.03 . 2 . . . . 410 ARG HD3 . 19044 1 502 . 1 1 62 62 ARG C C 13 174.04 0.1 . 1 . . . . 410 ARG C . 19044 1 503 . 1 1 62 62 ARG CA C 13 54.08 0.11 . 1 . . . . 410 ARG CA . 19044 1 504 . 1 1 62 62 ARG CB C 13 32.71 0.09 . 1 . . . . 410 ARG CB . 19044 1 505 . 1 1 62 62 ARG CG C 13 28.21 0.1 . 1 . . . . 410 ARG CG . 19044 1 506 . 1 1 62 62 ARG CD C 13 43.2 0.1 . 1 . . . . 410 ARG CD . 19044 1 507 . 1 1 62 62 ARG N N 15 129.47 0.05 . 1 . . . . 410 ARG N . 19044 1 508 . 1 1 63 63 VAL H H 1 9.17 0.03 . 1 . . . . 411 VAL H . 19044 1 509 . 1 1 63 63 VAL HA H 1 4.5 0.03 . 1 . . . . 411 VAL HA . 19044 1 510 . 1 1 63 63 VAL HB H 1 1.86 0.03 . 1 . . . . 411 VAL HB . 19044 1 511 . 1 1 63 63 VAL HG11 H 1 -0.43 0.03 . 2 . . . . 411 VAL HG1 . 19044 1 512 . 1 1 63 63 VAL HG12 H 1 -0.43 0.03 . 2 . . . . 411 VAL HG1 . 19044 1 513 . 1 1 63 63 VAL HG13 H 1 -0.43 0.03 . 2 . . . . 411 VAL HG1 . 19044 1 514 . 1 1 63 63 VAL HG21 H 1 0.34 0.03 . 2 . . . . 411 VAL HG2 . 19044 1 515 . 1 1 63 63 VAL HG22 H 1 0.34 0.03 . 2 . . . . 411 VAL HG2 . 19044 1 516 . 1 1 63 63 VAL HG23 H 1 0.34 0.03 . 2 . . . . 411 VAL HG2 . 19044 1 517 . 1 1 63 63 VAL C C 13 174.38 0.1 . 1 . . . . 411 VAL C . 19044 1 518 . 1 1 63 63 VAL CA C 13 61.07 0.05 . 1 . . . . 411 VAL CA . 19044 1 519 . 1 1 63 63 VAL CB C 13 33.24 0.04 . 1 . . . . 411 VAL CB . 19044 1 520 . 1 1 63 63 VAL CG1 C 13 18.67 0.1 . 2 . . . . 411 VAL CG1 . 19044 1 521 . 1 1 63 63 VAL CG2 C 13 21.07 0.1 . 2 . . . . 411 VAL CG2 . 19044 1 522 . 1 1 63 63 VAL N N 15 127.05 0.03 . 1 . . . . 411 VAL N . 19044 1 523 . 1 1 64 64 ASP H H 1 8.63 0.03 . 1 . . . . 412 ASP H . 19044 1 524 . 1 1 64 64 ASP HA H 1 5.38 0.03 . 1 . . . . 412 ASP HA . 19044 1 525 . 1 1 64 64 ASP HB2 H 1 2.59 0.01 . 2 . . . . 412 ASP HB2 . 19044 1 526 . 1 1 64 64 ASP HB3 H 1 2.61 0.03 . 2 . . . . 412 ASP HB3 . 19044 1 527 . 1 1 64 64 ASP C C 13 175.19 0.1 . 1 . . . . 412 ASP C . 19044 1 528 . 1 1 64 64 ASP CA C 13 54.3 0.08 . 1 . . . . 412 ASP CA . 19044 1 529 . 1 1 64 64 ASP CB C 13 44.35 0.12 . 1 . . . . 412 ASP CB . 19044 1 530 . 1 1 64 64 ASP N N 15 125.11 0.04 . 1 . . . . 412 ASP N . 19044 1 531 . 1 1 65 65 TYR H H 1 9.68 0.03 . 1 . . . . 413 TYR H . 19044 1 532 . 1 1 65 65 TYR HD1 H 1 7.15 0.03 . 3 . . . . 413 TYR HD . 19044 1 533 . 1 1 65 65 TYR HD2 H 1 7.15 0.03 . 3 . . . . 413 TYR HD . 19044 1 534 . 1 1 65 65 TYR C C 13 174.41 0.1 . 1 . . . . 413 TYR C . 19044 1 535 . 1 1 65 65 TYR CA C 13 56.9 0.1 . 1 . . . . 413 TYR CA . 19044 1 536 . 1 1 65 65 TYR CB C 13 37.66 0.07 . 1 . . . . 413 TYR CB . 19044 1 537 . 1 1 65 65 TYR CD1 C 13 133.32 0.04 . 1 . . . . 413 TYR CD . 19044 1 538 . 1 1 65 65 TYR CD2 C 13 133.32 0.04 . 1 . . . . 413 TYR CD . 19044 1 539 . 1 1 65 65 TYR CE1 C 13 118.49 0.04 . 1 . . . . 413 TYR CE . 19044 1 540 . 1 1 65 65 TYR CE2 C 13 118.49 0.04 . 1 . . . . 413 TYR CE . 19044 1 541 . 1 1 65 65 TYR N N 15 124.76 0.04 . 1 . . . . 413 TYR N . 19044 1 542 . 1 1 66 66 PRO HA H 1 4.43 0.03 . 1 . . . . 414 PRO HA . 19044 1 543 . 1 1 66 66 PRO HB2 H 1 2.38 0.03 . 2 . . . . 414 PRO HB2 . 19044 1 544 . 1 1 66 66 PRO HB3 H 1 2.57 0.03 . 2 . . . . 414 PRO HB3 . 19044 1 545 . 1 1 66 66 PRO HG2 H 1 2.01 0.03 . 2 . . . . 414 PRO HG2 . 19044 1 546 . 1 1 66 66 PRO HG3 H 1 2.19 0.03 . 2 . . . . 414 PRO HG3 . 19044 1 547 . 1 1 66 66 PRO HD2 H 1 4.16 0.03 . 2 . . . . 414 PRO HD2 . 19044 1 548 . 1 1 66 66 PRO HD3 H 1 4.19 0.03 . 2 . . . . 414 PRO HD3 . 19044 1 549 . 1 1 66 66 PRO C C 13 178.68 0.1 . 1 . . . . 414 PRO C . 19044 1 550 . 1 1 66 66 PRO CA C 13 66.54 0.01 . 1 . . . . 414 PRO CA . 19044 1 551 . 1 1 66 66 PRO CB C 13 32.32 0.01 . 1 . . . . 414 PRO CB . 19044 1 552 . 1 1 66 66 PRO CG C 13 28.2 0.1 . 1 . . . . 414 PRO CG . 19044 1 553 . 1 1 66 66 PRO CD C 13 50.3 0.1 . 1 . . . . 414 PRO CD . 19044 1 554 . 1 1 67 67 LYS H H 1 8.54 0.03 . 1 . . . . 415 LYS H . 19044 1 555 . 1 1 67 67 LYS HA H 1 4.77 0.03 . 1 . . . . 415 LYS HA . 19044 1 556 . 1 1 67 67 LYS HB2 H 1 2.41 0.03 . 2 . . . . 415 LYS HB2 . 19044 1 557 . 1 1 67 67 LYS HB3 H 1 2.42 0.03 . 2 . . . . 415 LYS HB3 . 19044 1 558 . 1 1 67 67 LYS HG2 H 1 1.45 0.03 . 2 . . . . 415 LYS HG2 . 19044 1 559 . 1 1 67 67 LYS HG3 H 1 1.47 0.03 . 2 . . . . 415 LYS HG3 . 19044 1 560 . 1 1 67 67 LYS HD2 H 1 1.77 0.03 . 2 . . . . 415 LYS HD2 . 19044 1 561 . 1 1 67 67 LYS HD3 H 1 1.77 0.03 . 2 . . . . 415 LYS HD3 . 19044 1 562 . 1 1 67 67 LYS HE2 H 1 3.07 0.03 . 2 . . . . 415 LYS HE2 . 19044 1 563 . 1 1 67 67 LYS HE3 H 1 3.08 0.03 . 2 . . . . 415 LYS HE3 . 19044 1 564 . 1 1 67 67 LYS C C 13 175.06 0.1 . 1 . . . . 415 LYS C . 19044 1 565 . 1 1 67 67 LYS CA C 13 54.89 0.05 . 1 . . . . 415 LYS CA . 19044 1 566 . 1 1 67 67 LYS CB C 13 32.92 0.07 . 1 . . . . 415 LYS CB . 19044 1 567 . 1 1 67 67 LYS CG C 13 24.78 0.1 . 1 . . . . 415 LYS CG . 19044 1 568 . 1 1 67 67 LYS CD C 13 29.19 0.1 . 1 . . . . 415 LYS CD . 19044 1 569 . 1 1 67 67 LYS CE C 13 41.95 0.1 . 1 . . . . 415 LYS CE . 19044 1 570 . 1 1 67 67 LYS N N 15 112.19 0.05 . 1 . . . . 415 LYS N . 19044 1 571 . 1 1 68 68 GLY H H 1 7.49 0.03 . 1 . . . . 416 GLY H . 19044 1 572 . 1 1 68 68 GLY HA2 H 1 4.35 0.03 . 2 . . . . 416 GLY HA2 . 19044 1 573 . 1 1 68 68 GLY HA3 H 1 4.59 0.03 . 2 . . . . 416 GLY HA3 . 19044 1 574 . 1 1 68 68 GLY C C 13 170.35 0.1 . 1 . . . . 416 GLY C . 19044 1 575 . 1 1 68 68 GLY CA C 13 47.16 0.09 . 1 . . . . 416 GLY CA . 19044 1 576 . 1 1 68 68 GLY N N 15 106.45 0.06 . 1 . . . . 416 GLY N . 19044 1 577 . 1 1 69 69 TRP H H 1 9.4 0.03 . 1 . . . . 417 TRP H . 19044 1 578 . 1 1 69 69 TRP HA H 1 5.92 0.03 . 1 . . . . 417 TRP HA . 19044 1 579 . 1 1 69 69 TRP HB2 H 1 3.34 0.03 . 2 . . . . 417 TRP HB2 . 19044 1 580 . 1 1 69 69 TRP HB3 H 1 3.82 0.03 . 2 . . . . 417 TRP HB3 . 19044 1 581 . 1 1 69 69 TRP HD1 H 1 6.89 0.03 . 1 . . . . 417 TRP HD1 . 19044 1 582 . 1 1 69 69 TRP C C 13 174.35 0.1 . 1 . . . . 417 TRP C . 19044 1 583 . 1 1 69 69 TRP CA C 13 55.44 0.07 . 1 . . . . 417 TRP CA . 19044 1 584 . 1 1 69 69 TRP CB C 13 33.04 0.05 . 1 . . . . 417 TRP CB . 19044 1 585 . 1 1 69 69 TRP CD1 C 13 127.61 0.06 . 1 . . . . 417 TRP CD1 . 19044 1 586 . 1 1 69 69 TRP CD2 C 13 128.69 0.1 . 1 . . . . 417 TRP CD2 . 19044 1 587 . 1 1 69 69 TRP N N 15 117.27 0.04 . 1 . . . . 417 TRP N . 19044 1 588 . 1 1 70 70 GLY H H 1 8.69 0.03 . 1 . . . . 418 GLY H . 19044 1 589 . 1 1 70 70 GLY HA2 H 1 3.12 0.03 . 2 . . . . 418 GLY HA2 . 19044 1 590 . 1 1 70 70 GLY HA3 H 1 4.93 0.03 . 2 . . . . 418 GLY HA3 . 19044 1 591 . 1 1 70 70 GLY C C 13 171.24 0.1 . 1 . . . . 418 GLY C . 19044 1 592 . 1 1 70 70 GLY CA C 13 45.65 0.12 . 1 . . . . 418 GLY CA . 19044 1 593 . 1 1 70 70 GLY N N 15 103.05 0.03 . 1 . . . . 418 GLY N . 19044 1 594 . 1 1 71 71 LEU H H 1 8.15 0.03 . 1 . . . . 419 LEU H . 19044 1 595 . 1 1 71 71 LEU HA H 1 5.59 0.03 . 1 . . . . 419 LEU HA . 19044 1 596 . 1 1 71 71 LEU HB2 H 1 1.61 0.03 . 2 . . . . 419 LEU HB2 . 19044 1 597 . 1 1 71 71 LEU HB3 H 1 1.62 0.03 . 2 . . . . 419 LEU HB3 . 19044 1 598 . 1 1 71 71 LEU HG H 1 1.72 0.03 . 1 . . . . 419 LEU HG . 19044 1 599 . 1 1 71 71 LEU HD11 H 1 0.83 0.03 . 2 . . . . 419 LEU HD1 . 19044 1 600 . 1 1 71 71 LEU HD12 H 1 0.83 0.03 . 2 . . . . 419 LEU HD1 . 19044 1 601 . 1 1 71 71 LEU HD13 H 1 0.83 0.03 . 2 . . . . 419 LEU HD1 . 19044 1 602 . 1 1 71 71 LEU HD21 H 1 0.84 0.03 . 2 . . . . 419 LEU HD2 . 19044 1 603 . 1 1 71 71 LEU HD22 H 1 0.84 0.03 . 2 . . . . 419 LEU HD2 . 19044 1 604 . 1 1 71 71 LEU HD23 H 1 0.84 0.03 . 2 . . . . 419 LEU HD2 . 19044 1 605 . 1 1 71 71 LEU C C 13 174.25 0.1 . 1 . . . . 419 LEU C . 19044 1 606 . 1 1 71 71 LEU CA C 13 53.92 0.03 . 1 . . . . 419 LEU CA . 19044 1 607 . 1 1 71 71 LEU CB C 13 46.84 0.1 . 1 . . . . 419 LEU CB . 19044 1 608 . 1 1 71 71 LEU CG C 13 26.97 0.1 . 1 . . . . 419 LEU CG . 19044 1 609 . 1 1 71 71 LEU CD1 C 13 23.96 0.1 . 2 . . . . 419 LEU CD1 . 19044 1 610 . 1 1 71 71 LEU CD2 C 13 23.96 0.1 . 2 . . . . 419 LEU CD2 . 19044 1 611 . 1 1 71 71 LEU N N 15 122.47 0.04 . 1 . . . . 419 LEU N . 19044 1 612 . 1 1 72 72 VAL H H 1 9.05 0.03 . 1 . . . . 420 VAL H . 19044 1 613 . 1 1 72 72 VAL HA H 1 5.22 0.03 . 1 . . . . 420 VAL HA . 19044 1 614 . 1 1 72 72 VAL HB H 1 2.18 0.03 . 1 . . . . 420 VAL HB . 19044 1 615 . 1 1 72 72 VAL HG11 H 1 1.14 0.03 . 2 . . . . 420 VAL HG1 . 19044 1 616 . 1 1 72 72 VAL HG12 H 1 1.14 0.03 . 2 . . . . 420 VAL HG1 . 19044 1 617 . 1 1 72 72 VAL HG13 H 1 1.14 0.03 . 2 . . . . 420 VAL HG1 . 19044 1 618 . 1 1 72 72 VAL HG21 H 1 1.14 0.03 . 2 . . . . 420 VAL HG2 . 19044 1 619 . 1 1 72 72 VAL HG22 H 1 1.14 0.03 . 2 . . . . 420 VAL HG2 . 19044 1 620 . 1 1 72 72 VAL HG23 H 1 1.14 0.03 . 2 . . . . 420 VAL HG2 . 19044 1 621 . 1 1 72 72 VAL C C 13 172.81 0.1 . 1 . . . . 420 VAL C . 19044 1 622 . 1 1 72 72 VAL CA C 13 59.7 0.1 . 1 . . . . 420 VAL CA . 19044 1 623 . 1 1 72 72 VAL CB C 13 34.42 0.07 . 1 . . . . 420 VAL CB . 19044 1 624 . 1 1 72 72 VAL CG1 C 13 19.51 0.1 . 2 . . . . 420 VAL CG1 . 19044 1 625 . 1 1 72 72 VAL CG2 C 13 21.11 0.1 . 2 . . . . 420 VAL CG2 . 19044 1 626 . 1 1 72 72 VAL N N 15 121.57 0.04 . 1 . . . . 420 VAL N . 19044 1 627 . 1 1 73 73 ARG H H 1 9.14 0.03 . 1 . . . . 421 ARG H . 19044 1 628 . 1 1 73 73 ARG HA H 1 4.94 0.03 . 1 . . . . 421 ARG HA . 19044 1 629 . 1 1 73 73 ARG HB2 H 1 1.56 0.03 . 2 . . . . 421 ARG HB2 . 19044 1 630 . 1 1 73 73 ARG HB3 H 1 1.76 0.03 . 2 . . . . 421 ARG HB3 . 19044 1 631 . 1 1 73 73 ARG HG2 H 1 1.39 0.03 . 2 . . . . 421 ARG HG2 . 19044 1 632 . 1 1 73 73 ARG HG3 H 1 1.4 0.03 . 2 . . . . 421 ARG HG3 . 19044 1 633 . 1 1 73 73 ARG HD2 H 1 3.12 0.03 . 2 . . . . 421 ARG HD2 . 19044 1 634 . 1 1 73 73 ARG HD3 H 1 3.13 0.03 . 2 . . . . 421 ARG HD3 . 19044 1 635 . 1 1 73 73 ARG C C 13 174.18 0.1 . 1 . . . . 421 ARG C . 19044 1 636 . 1 1 73 73 ARG CA C 13 54.27 0.07 . 1 . . . . 421 ARG CA . 19044 1 637 . 1 1 73 73 ARG CB C 13 33.84 0.05 . 1 . . . . 421 ARG CB . 19044 1 638 . 1 1 73 73 ARG CG C 13 26.66 0.1 . 1 . . . . 421 ARG CG . 19044 1 639 . 1 1 73 73 ARG CD C 13 43.73 0.1 . 1 . . . . 421 ARG CD . 19044 1 640 . 1 1 73 73 ARG N N 15 124.74 0.05 . 1 . . . . 421 ARG N . 19044 1 641 . 1 1 74 74 ALA H H 1 9.23 0.03 . 1 . . . . 422 ALA H . 19044 1 642 . 1 1 74 74 ALA HA H 1 4.78 0.01 . 1 . . . . 422 ALA HA . 19044 1 643 . 1 1 74 74 ALA HB1 H 1 1.07 0.02 . 1 . . . . 422 ALA HB . 19044 1 644 . 1 1 74 74 ALA HB2 H 1 1.07 0.02 . 1 . . . . 422 ALA HB . 19044 1 645 . 1 1 74 74 ALA HB3 H 1 1.07 0.02 . 1 . . . . 422 ALA HB . 19044 1 646 . 1 1 74 74 ALA C C 13 177.66 0.1 . 1 . . . . 422 ALA C . 19044 1 647 . 1 1 74 74 ALA CA C 13 50.97 0.14 . 1 . . . . 422 ALA CA . 19044 1 648 . 1 1 74 74 ALA CB C 13 19.4 0.07 . 1 . . . . 422 ALA CB . 19044 1 649 . 1 1 74 74 ALA N N 15 124.91 0.05 . 1 . . . . 422 ALA N . 19044 1 650 . 1 1 75 75 SER H H 1 8.28 0.03 . 1 . . . . 423 SER H . 19044 1 651 . 1 1 75 75 SER HA H 1 4.45 0.01 . 1 . . . . 423 SER HA . 19044 1 652 . 1 1 75 75 SER HB2 H 1 3.71 0.03 . 2 . . . . 423 SER HB2 . 19044 1 653 . 1 1 75 75 SER HB3 H 1 3.72 0.03 . 2 . . . . 423 SER HB3 . 19044 1 654 . 1 1 75 75 SER C C 13 175.73 0.1 . 1 . . . . 423 SER C . 19044 1 655 . 1 1 75 75 SER CA C 13 57.59 0.09 . 1 . . . . 423 SER CA . 19044 1 656 . 1 1 75 75 SER CB C 13 63.74 0.1 . 1 . . . . 423 SER CB . 19044 1 657 . 1 1 75 75 SER N N 15 116.79 0.03 . 1 . . . . 423 SER N . 19044 1 658 . 1 1 79 79 PRO HA H 1 4.69 0.01 . 1 . . . . 427 PRO HA . 19044 1 659 . 1 1 79 79 PRO HB2 H 1 2.16 0.01 . 2 . . . . 427 PRO HB2 . 19044 1 660 . 1 1 79 79 PRO HB3 H 1 2.55 0.03 . 2 . . . . 427 PRO HB3 . 19044 1 661 . 1 1 79 79 PRO HG2 H 1 1.76 0.03 . 2 . . . . 427 PRO HG2 . 19044 1 662 . 1 1 79 79 PRO HG3 H 1 1.77 0.03 . 2 . . . . 427 PRO HG3 . 19044 1 663 . 1 1 79 79 PRO HD2 H 1 3.73 0.03 . 2 . . . . 427 PRO HD2 . 19044 1 664 . 1 1 79 79 PRO HD3 H 1 3.74 0.03 . 2 . . . . 427 PRO HD3 . 19044 1 665 . 1 1 79 79 PRO C C 13 173.57 0.1 . 1 . . . . 427 PRO C . 19044 1 666 . 1 1 79 79 PRO CA C 13 62.53 0.11 . 1 . . . . 427 PRO CA . 19044 1 667 . 1 1 79 79 PRO CB C 13 34.72 0.1 . 1 . . . . 427 PRO CB . 19044 1 668 . 1 1 79 79 PRO CG C 13 26.78 0.12 . 1 . . . . 427 PRO CG . 19044 1 669 . 1 1 79 79 PRO CD C 13 50.32 0.1 . 1 . . . . 427 PRO CD . 19044 1 670 . 1 1 80 80 VAL H H 1 7.93 0.01 . 1 . . . . 428 VAL H . 19044 1 671 . 1 1 80 80 VAL HA H 1 5.18 0.03 . 1 . . . . 428 VAL HA . 19044 1 672 . 1 1 80 80 VAL HB H 1 1.9 0.03 . 1 . . . . 428 VAL HB . 19044 1 673 . 1 1 80 80 VAL HG11 H 1 0.79 0.03 . 2 . . . . 428 VAL HG1 . 19044 1 674 . 1 1 80 80 VAL HG12 H 1 0.79 0.03 . 2 . . . . 428 VAL HG1 . 19044 1 675 . 1 1 80 80 VAL HG13 H 1 0.79 0.03 . 2 . . . . 428 VAL HG1 . 19044 1 676 . 1 1 80 80 VAL HG21 H 1 0.8 0.03 . 2 . . . . 428 VAL HG2 . 19044 1 677 . 1 1 80 80 VAL HG22 H 1 0.8 0.03 . 2 . . . . 428 VAL HG2 . 19044 1 678 . 1 1 80 80 VAL HG23 H 1 0.8 0.03 . 2 . . . . 428 VAL HG2 . 19044 1 679 . 1 1 80 80 VAL C C 13 175.43 0.1 . 1 . . . . 428 VAL C . 19044 1 680 . 1 1 80 80 VAL CA C 13 60.03 0.05 . 1 . . . . 428 VAL CA . 19044 1 681 . 1 1 80 80 VAL CB C 13 37.12 0.04 . 1 . . . . 428 VAL CB . 19044 1 682 . 1 1 80 80 VAL CG1 C 13 19.96 0.1 . 2 . . . . 428 VAL CG1 . 19044 1 683 . 1 1 80 80 VAL CG2 C 13 21.6 0.1 . 2 . . . . 428 VAL CG2 . 19044 1 684 . 1 1 80 80 VAL N N 15 119.19 0.04 . 1 . . . . 428 VAL N . 19044 1 685 . 1 1 81 81 LEU H H 1 8.9 0.03 . 1 . . . . 429 LEU H . 19044 1 686 . 1 1 81 81 LEU HA H 1 5.02 0.03 . 1 . . . . 429 LEU HA . 19044 1 687 . 1 1 81 81 LEU HB2 H 1 1.79 0.03 . 2 . . . . 429 LEU HB2 . 19044 1 688 . 1 1 81 81 LEU HB3 H 1 1.79 0.03 . 2 . . . . 429 LEU HB3 . 19044 1 689 . 1 1 81 81 LEU HG H 1 1.31 0.03 . 1 . . . . 429 LEU HG . 19044 1 690 . 1 1 81 81 LEU HD11 H 1 0.9 0.03 . 2 . . . . 429 LEU HD1 . 19044 1 691 . 1 1 81 81 LEU HD12 H 1 0.9 0.03 . 2 . . . . 429 LEU HD1 . 19044 1 692 . 1 1 81 81 LEU HD13 H 1 0.9 0.03 . 2 . . . . 429 LEU HD1 . 19044 1 693 . 1 1 81 81 LEU HD21 H 1 0.91 0.03 . 2 . . . . 429 LEU HD2 . 19044 1 694 . 1 1 81 81 LEU HD22 H 1 0.91 0.03 . 2 . . . . 429 LEU HD2 . 19044 1 695 . 1 1 81 81 LEU HD23 H 1 0.91 0.03 . 2 . . . . 429 LEU HD2 . 19044 1 696 . 1 1 81 81 LEU C C 13 175.15 0.1 . 1 . . . . 429 LEU C . 19044 1 697 . 1 1 81 81 LEU CA C 13 53.06 0.05 . 1 . . . . 429 LEU CA . 19044 1 698 . 1 1 81 81 LEU CB C 13 44.15 0.1 . 1 . . . . 429 LEU CB . 19044 1 699 . 1 1 81 81 LEU CG C 13 27.63 0.1 . 1 . . . . 429 LEU CG . 19044 1 700 . 1 1 81 81 LEU CD1 C 13 22.88 0.1 . 2 . . . . 429 LEU CD1 . 19044 1 701 . 1 1 81 81 LEU CD2 C 13 26.16 0.1 . 2 . . . . 429 LEU CD2 . 19044 1 702 . 1 1 81 81 LEU N N 15 122.48 0.03 . 1 . . . . 429 LEU N . 19044 1 703 . 1 1 82 82 VAL H H 1 9.27 0.03 . 1 . . . . 430 VAL H . 19044 1 704 . 1 1 82 82 VAL HA H 1 4.87 0.03 . 1 . . . . 430 VAL HA . 19044 1 705 . 1 1 82 82 VAL HB H 1 1.81 0.03 . 1 . . . . 430 VAL HB . 19044 1 706 . 1 1 82 82 VAL HG11 H 1 0.85 0.03 . 2 . . . . 430 VAL HG1 . 19044 1 707 . 1 1 82 82 VAL HG12 H 1 0.85 0.03 . 2 . . . . 430 VAL HG1 . 19044 1 708 . 1 1 82 82 VAL HG13 H 1 0.85 0.03 . 2 . . . . 430 VAL HG1 . 19044 1 709 . 1 1 82 82 VAL HG21 H 1 0.85 0.03 . 2 . . . . 430 VAL HG2 . 19044 1 710 . 1 1 82 82 VAL HG22 H 1 0.85 0.03 . 2 . . . . 430 VAL HG2 . 19044 1 711 . 1 1 82 82 VAL HG23 H 1 0.85 0.03 . 2 . . . . 430 VAL HG2 . 19044 1 712 . 1 1 82 82 VAL C C 13 175.55 0.1 . 1 . . . . 430 VAL C . 19044 1 713 . 1 1 82 82 VAL CA C 13 61.27 0.08 . 1 . . . . 430 VAL CA . 19044 1 714 . 1 1 82 82 VAL CB C 13 33.58 0.04 . 1 . . . . 430 VAL CB . 19044 1 715 . 1 1 82 82 VAL CG1 C 13 18.99 0.1 . 2 . . . . 430 VAL CG1 . 19044 1 716 . 1 1 82 82 VAL CG2 C 13 20.82 0.1 . 2 . . . . 430 VAL CG2 . 19044 1 717 . 1 1 82 82 VAL N N 15 123.36 0.05 . 1 . . . . 430 VAL N . 19044 1 718 . 1 1 83 83 LEU H H 1 9.25 0.03 . 1 . . . . 431 LEU H . 19044 1 719 . 1 1 83 83 LEU HA H 1 5.64 0.03 . 1 . . . . 431 LEU HA . 19044 1 720 . 1 1 83 83 LEU HB2 H 1 1.93 0.03 . 2 . . . . 431 LEU HB2 . 19044 1 721 . 1 1 83 83 LEU HB3 H 1 1.94 0.03 . 2 . . . . 431 LEU HB3 . 19044 1 722 . 1 1 83 83 LEU HG H 1 1.32 0.03 . 1 . . . . 431 LEU HG . 19044 1 723 . 1 1 83 83 LEU HD11 H 1 1.05 0.03 . 2 . . . . 431 LEU HD1 . 19044 1 724 . 1 1 83 83 LEU HD12 H 1 1.05 0.03 . 2 . . . . 431 LEU HD1 . 19044 1 725 . 1 1 83 83 LEU HD13 H 1 1.05 0.03 . 2 . . . . 431 LEU HD1 . 19044 1 726 . 1 1 83 83 LEU HD21 H 1 1.06 0.03 . 2 . . . . 431 LEU HD2 . 19044 1 727 . 1 1 83 83 LEU HD22 H 1 1.06 0.03 . 2 . . . . 431 LEU HD2 . 19044 1 728 . 1 1 83 83 LEU HD23 H 1 1.06 0.03 . 2 . . . . 431 LEU HD2 . 19044 1 729 . 1 1 83 83 LEU C C 13 175.45 0.1 . 1 . . . . 431 LEU C . 19044 1 730 . 1 1 83 83 LEU CA C 13 54.57 0.1 . 1 . . . . 431 LEU CA . 19044 1 731 . 1 1 83 83 LEU CB C 13 45.09 0.1 . 1 . . . . 431 LEU CB . 19044 1 732 . 1 1 83 83 LEU CG C 13 28.61 0.1 . 1 . . . . 431 LEU CG . 19044 1 733 . 1 1 83 83 LEU CD1 C 13 26.44 0.1 . 2 . . . . 431 LEU CD1 . 19044 1 734 . 1 1 83 83 LEU CD2 C 13 26.57 0.1 . 2 . . . . 431 LEU CD2 . 19044 1 735 . 1 1 83 83 LEU N N 15 127.33 0.04 . 1 . . . . 431 LEU N . 19044 1 736 . 1 1 84 84 ARG H H 1 7.46 0.03 . 1 . . . . 432 ARG H . 19044 1 737 . 1 1 84 84 ARG HA H 1 4.13 0.03 . 1 . . . . 432 ARG HA . 19044 1 738 . 1 1 84 84 ARG HB2 H 1 1.72 0.03 . 2 . . . . 432 ARG HB2 . 19044 1 739 . 1 1 84 84 ARG HB3 H 1 1.72 0.03 . 2 . . . . 432 ARG HB3 . 19044 1 740 . 1 1 84 84 ARG HG2 H 1 1.57 0.03 . 2 . . . . 432 ARG HG2 . 19044 1 741 . 1 1 84 84 ARG HG3 H 1 1.57 0.03 . 2 . . . . 432 ARG HG3 . 19044 1 742 . 1 1 84 84 ARG HD2 H 1 3.22 0.03 . 2 . . . . 432 ARG HD2 . 19044 1 743 . 1 1 84 84 ARG HD3 H 1 3.22 0.03 . 2 . . . . 432 ARG HD3 . 19044 1 744 . 1 1 84 84 ARG C C 13 172.09 0.1 . 1 . . . . 432 ARG C . 19044 1 745 . 1 1 84 84 ARG CA C 13 55.5 0.01 . 1 . . . . 432 ARG CA . 19044 1 746 . 1 1 84 84 ARG CB C 13 35.19 0.03 . 1 . . . . 432 ARG CB . 19044 1 747 . 1 1 84 84 ARG CG C 13 28.1 0.1 . 1 . . . . 432 ARG CG . 19044 1 748 . 1 1 84 84 ARG CD C 13 44.04 0.1 . 1 . . . . 432 ARG CD . 19044 1 749 . 1 1 84 84 ARG N N 15 117.67 0.04 . 1 . . . . 432 ARG N . 19044 1 750 . 1 1 85 85 PHE H H 1 7.44 0.03 . 1 . . . . 433 PHE H . 19044 1 751 . 1 1 85 85 PHE HA H 1 4.85 0.03 . 1 . . . . 433 PHE HA . 19044 1 752 . 1 1 85 85 PHE HB2 H 1 2.38 0.03 . 2 . . . . 433 PHE HB2 . 19044 1 753 . 1 1 85 85 PHE HB3 H 1 2.7 0.03 . 2 . . . . 433 PHE HB3 . 19044 1 754 . 1 1 85 85 PHE HD1 H 1 6.68 0.03 . 3 . . . . 433 PHE HD . 19044 1 755 . 1 1 85 85 PHE HD2 H 1 6.68 0.03 . 3 . . . . 433 PHE HD . 19044 1 756 . 1 1 85 85 PHE HE1 H 1 5.92 0.03 . 3 . . . . 433 PHE HE . 19044 1 757 . 1 1 85 85 PHE HE2 H 1 5.92 0.03 . 3 . . . . 433 PHE HE . 19044 1 758 . 1 1 85 85 PHE C C 13 174.21 0.1 . 1 . . . . 433 PHE C . 19044 1 759 . 1 1 85 85 PHE CA C 13 55.86 0.14 . 1 . . . . 433 PHE CA . 19044 1 760 . 1 1 85 85 PHE CB C 13 44.21 0.05 . 1 . . . . 433 PHE CB . 19044 1 761 . 1 1 85 85 PHE CD1 C 13 131.91 0.04 . 1 . . . . 433 PHE CD . 19044 1 762 . 1 1 85 85 PHE CD2 C 13 131.91 0.04 . 1 . . . . 433 PHE CD . 19044 1 763 . 1 1 85 85 PHE CE1 C 13 129.51 0.1 . 1 . . . . 433 PHE CE . 19044 1 764 . 1 1 85 85 PHE CE2 C 13 129.51 0.1 . 1 . . . . 433 PHE CE . 19044 1 765 . 1 1 85 85 PHE N N 15 116.98 0.04 . 1 . . . . 433 PHE N . 19044 1 766 . 1 1 86 86 GLU H H 1 7.79 0.03 . 1 . . . . 434 GLU H . 19044 1 767 . 1 1 86 86 GLU HA H 1 4.52 0.03 . 1 . . . . 434 GLU HA . 19044 1 768 . 1 1 86 86 GLU HB2 H 1 1.1 0.03 . 2 . . . . 434 GLU HB2 . 19044 1 769 . 1 1 86 86 GLU HB3 H 1 1.1 0.03 . 2 . . . . 434 GLU HB3 . 19044 1 770 . 1 1 86 86 GLU HG2 H 1 1.97 0.03 . 2 . . . . 434 GLU HG2 . 19044 1 771 . 1 1 86 86 GLU HG3 H 1 1.97 0.03 . 2 . . . . 434 GLU HG3 . 19044 1 772 . 1 1 86 86 GLU C C 13 173.43 0.1 . 1 . . . . 434 GLU C . 19044 1 773 . 1 1 86 86 GLU CA C 13 55.63 0.08 . 1 . . . . 434 GLU CA . 19044 1 774 . 1 1 86 86 GLU CB C 13 33.23 0.04 . 1 . . . . 434 GLU CB . 19044 1 775 . 1 1 86 86 GLU CG C 13 37.34 0.1 . 1 . . . . 434 GLU CG . 19044 1 776 . 1 1 86 86 GLU N N 15 121.46 0.03 . 1 . . . . 434 GLU N . 19044 1 777 . 1 1 87 87 ALA H H 1 8.46 0.03 . 1 . . . . 435 ALA H . 19044 1 778 . 1 1 87 87 ALA HA H 1 5.26 0.03 . 1 . . . . 435 ALA HA . 19044 1 779 . 1 1 87 87 ALA HB1 H 1 1.52 0.03 . 1 . . . . 435 ALA HB . 19044 1 780 . 1 1 87 87 ALA HB2 H 1 1.52 0.03 . 1 . . . . 435 ALA HB . 19044 1 781 . 1 1 87 87 ALA HB3 H 1 1.52 0.03 . 1 . . . . 435 ALA HB . 19044 1 782 . 1 1 87 87 ALA C C 13 176.99 0.1 . 1 . . . . 435 ALA C . 19044 1 783 . 1 1 87 87 ALA CA C 13 51.68 0.15 . 1 . . . . 435 ALA CA . 19044 1 784 . 1 1 87 87 ALA CB C 13 23.68 0.09 . 1 . . . . 435 ALA CB . 19044 1 785 . 1 1 87 87 ALA N N 15 120.92 0.01 . 1 . . . . 435 ALA N . 19044 1 786 . 1 1 88 88 ASP H H 1 8.67 0.03 . 1 . . . . 436 ASP H . 19044 1 787 . 1 1 88 88 ASP HA H 1 4.57 0.03 . 1 . . . . 436 ASP HA . 19044 1 788 . 1 1 88 88 ASP HB2 H 1 2.76 0.03 . 2 . . . . 436 ASP HB2 . 19044 1 789 . 1 1 88 88 ASP HB3 H 1 2.94 0.03 . 2 . . . . 436 ASP HB3 . 19044 1 790 . 1 1 88 88 ASP C C 13 176.69 0.1 . 1 . . . . 436 ASP C . 19044 1 791 . 1 1 88 88 ASP CA C 13 56.35 0.07 . 1 . . . . 436 ASP CA . 19044 1 792 . 1 1 88 88 ASP CB C 13 42.01 0.2 . 1 . . . . 436 ASP CB . 19044 1 793 . 1 1 88 88 ASP N N 15 116.87 0.05 . 1 . . . . 436 ASP N . 19044 1 794 . 1 1 89 89 THR H H 1 7.29 0.03 . 1 . . . . 437 THR H . 19044 1 795 . 1 1 89 89 THR HA H 1 3.87 0.01 . 1 . . . . 437 THR HA . 19044 1 796 . 1 1 89 89 THR HB H 1 4.45 0.03 . 1 . . . . 437 THR HB . 19044 1 797 . 1 1 89 89 THR HG21 H 1 1.89 0.03 . 1 . . . . 437 THR HG2 . 19044 1 798 . 1 1 89 89 THR HG22 H 1 1.89 0.03 . 1 . . . . 437 THR HG2 . 19044 1 799 . 1 1 89 89 THR HG23 H 1 1.89 0.03 . 1 . . . . 437 THR HG2 . 19044 1 800 . 1 1 89 89 THR C C 13 174.65 0.1 . 1 . . . . 437 THR C . 19044 1 801 . 1 1 89 89 THR CA C 13 58.59 0.13 . 1 . . . . 437 THR CA . 19044 1 802 . 1 1 89 89 THR CB C 13 73.48 0.1 . 1 . . . . 437 THR CB . 19044 1 803 . 1 1 89 89 THR CG2 C 13 22.42 0.1 . 1 . . . . 437 THR CG2 . 19044 1 804 . 1 1 89 89 THR N N 15 104.94 0.06 . 1 . . . . 437 THR N . 19044 1 805 . 1 1 90 90 GLU H H 1 9.29 0.03 . 1 . . . . 438 GLU H . 19044 1 806 . 1 1 90 90 GLU HA H 1 3.96 0.01 . 1 . . . . 438 GLU HA . 19044 1 807 . 1 1 90 90 GLU HB2 H 1 2.08 0.03 . 2 . . . . 438 GLU HB2 . 19044 1 808 . 1 1 90 90 GLU HB3 H 1 2.1 0.02 . 2 . . . . 438 GLU HB3 . 19044 1 809 . 1 1 90 90 GLU HG2 H 1 2.39 0.03 . 2 . . . . 438 GLU HG2 . 19044 1 810 . 1 1 90 90 GLU HG3 H 1 2.39 0.03 . 2 . . . . 438 GLU HG3 . 19044 1 811 . 1 1 90 90 GLU C C 13 178.63 0.1 . 1 . . . . 438 GLU C . 19044 1 812 . 1 1 90 90 GLU CA C 13 60.05 0.09 . 1 . . . . 438 GLU CA . 19044 1 813 . 1 1 90 90 GLU CB C 13 29.31 0.12 . 1 . . . . 438 GLU CB . 19044 1 814 . 1 1 90 90 GLU CG C 13 36.74 0.1 . 1 . . . . 438 GLU CG . 19044 1 815 . 1 1 90 90 GLU N N 15 123.69 0.1 . 1 . . . . 438 GLU N . 19044 1 816 . 1 1 91 91 GLU H H 1 8.77 0.03 . 1 . . . . 439 GLU H . 19044 1 817 . 1 1 91 91 GLU HA H 1 4.06 0.03 . 1 . . . . 439 GLU HA . 19044 1 818 . 1 1 91 91 GLU HB2 H 1 1.98 0.03 . 2 . . . . 439 GLU HB2 . 19044 1 819 . 1 1 91 91 GLU HB3 H 1 1.98 0.03 . 2 . . . . 439 GLU HB3 . 19044 1 820 . 1 1 91 91 GLU HG2 H 1 2.16 0.03 . 2 . . . . 439 GLU HG2 . 19044 1 821 . 1 1 91 91 GLU HG3 H 1 2.37 0.03 . 2 . . . . 439 GLU HG3 . 19044 1 822 . 1 1 91 91 GLU C C 13 179.35 0.1 . 1 . . . . 439 GLU C . 19044 1 823 . 1 1 91 91 GLU CA C 13 60.02 0.09 . 1 . . . . 439 GLU CA . 19044 1 824 . 1 1 91 91 GLU CB C 13 28.9 0.22 . 1 . . . . 439 GLU CB . 19044 1 825 . 1 1 91 91 GLU CG C 13 36.65 0.1 . 1 . . . . 439 GLU CG . 19044 1 826 . 1 1 91 91 GLU N N 15 120.09 0.03 . 1 . . . . 439 GLU N . 19044 1 827 . 1 1 92 92 GLU H H 1 7.86 0.03 . 1 . . . . 440 GLU H . 19044 1 828 . 1 1 92 92 GLU HA H 1 4.4 0.03 . 1 . . . . 440 GLU HA . 19044 1 829 . 1 1 92 92 GLU HB2 H 1 1.96 0.03 . 2 . . . . 440 GLU HB2 . 19044 1 830 . 1 1 92 92 GLU HB3 H 1 2.25 0.03 . 2 . . . . 440 GLU HB3 . 19044 1 831 . 1 1 92 92 GLU HG2 H 1 2.42 0.03 . 2 . . . . 440 GLU HG2 . 19044 1 832 . 1 1 92 92 GLU HG3 H 1 2.43 0.03 . 2 . . . . 440 GLU HG3 . 19044 1 833 . 1 1 92 92 GLU C C 13 177.89 0.1 . 1 . . . . 440 GLU C . 19044 1 834 . 1 1 92 92 GLU CA C 13 57.82 0.06 . 1 . . . . 440 GLU CA . 19044 1 835 . 1 1 92 92 GLU CB C 13 28.71 0.1 . 1 . . . . 440 GLU CB . 19044 1 836 . 1 1 92 92 GLU CG C 13 34.84 0.1 . 1 . . . . 440 GLU CG . 19044 1 837 . 1 1 92 92 GLU N N 15 122.39 0.03 . 1 . . . . 440 GLU N . 19044 1 838 . 1 1 93 93 LEU H H 1 8.03 0.03 . 1 . . . . 441 LEU H . 19044 1 839 . 1 1 93 93 LEU HA H 1 3.66 0.03 . 1 . . . . 441 LEU HA . 19044 1 840 . 1 1 93 93 LEU HB2 H 1 1.46 0.03 . 2 . . . . 441 LEU HB2 . 19044 1 841 . 1 1 93 93 LEU HB3 H 1 2.1 0.03 . 2 . . . . 441 LEU HB3 . 19044 1 842 . 1 1 93 93 LEU HG H 1 1.29 0.03 . 1 . . . . 441 LEU HG . 19044 1 843 . 1 1 93 93 LEU HD11 H 1 0.67 0.03 . 2 . . . . 441 LEU HD1 . 19044 1 844 . 1 1 93 93 LEU HD12 H 1 0.67 0.03 . 2 . . . . 441 LEU HD1 . 19044 1 845 . 1 1 93 93 LEU HD13 H 1 0.67 0.03 . 2 . . . . 441 LEU HD1 . 19044 1 846 . 1 1 93 93 LEU HD21 H 1 0.83 0.03 . 2 . . . . 441 LEU HD2 . 19044 1 847 . 1 1 93 93 LEU HD22 H 1 0.83 0.03 . 2 . . . . 441 LEU HD2 . 19044 1 848 . 1 1 93 93 LEU HD23 H 1 0.83 0.03 . 2 . . . . 441 LEU HD2 . 19044 1 849 . 1 1 93 93 LEU C C 13 178.49 0.1 . 1 . . . . 441 LEU C . 19044 1 850 . 1 1 93 93 LEU CA C 13 58.66 0.24 . 1 . . . . 441 LEU CA . 19044 1 851 . 1 1 93 93 LEU CB C 13 41.72 0.08 . 1 . . . . 441 LEU CB . 19044 1 852 . 1 1 93 93 LEU CG C 13 25.95 0.1 . 1 . . . . 441 LEU CG . 19044 1 853 . 1 1 93 93 LEU CD1 C 13 24.12 0.1 . 2 . . . . 441 LEU CD1 . 19044 1 854 . 1 1 93 93 LEU CD2 C 13 24.15 0.1 . 2 . . . . 441 LEU CD2 . 19044 1 855 . 1 1 93 93 LEU N N 15 122.31 0.04 . 1 . . . . 441 LEU N . 19044 1 856 . 1 1 94 94 GLU H H 1 7.92 0.03 . 1 . . . . 442 GLU H . 19044 1 857 . 1 1 94 94 GLU HA H 1 3.96 0.03 . 1 . . . . 442 GLU HA . 19044 1 858 . 1 1 94 94 GLU HB2 H 1 2.07 0.03 . 2 . . . . 442 GLU HB2 . 19044 1 859 . 1 1 94 94 GLU HB3 H 1 2.07 0.03 . 2 . . . . 442 GLU HB3 . 19044 1 860 . 1 1 94 94 GLU HG2 H 1 2.38 0.03 . 2 . . . . 442 GLU HG2 . 19044 1 861 . 1 1 94 94 GLU HG3 H 1 2.38 0.03 . 2 . . . . 442 GLU HG3 . 19044 1 862 . 1 1 94 94 GLU C C 13 179.17 0.1 . 1 . . . . 442 GLU C . 19044 1 863 . 1 1 94 94 GLU CA C 13 58.68 0.13 . 1 . . . . 442 GLU CA . 19044 1 864 . 1 1 94 94 GLU CB C 13 28.82 0.08 . 1 . . . . 442 GLU CB . 19044 1 865 . 1 1 94 94 GLU CG C 13 35.66 0.1 . 1 . . . . 442 GLU CG . 19044 1 866 . 1 1 94 94 GLU N N 15 116.73 0.04 . 1 . . . . 442 GLU N . 19044 1 867 . 1 1 95 95 ARG H H 1 7.84 0.03 . 1 . . . . 443 ARG H . 19044 1 868 . 1 1 95 95 ARG HA H 1 3.98 0.03 . 1 . . . . 443 ARG HA . 19044 1 869 . 1 1 95 95 ARG HB2 H 1 1.97 0.03 . 2 . . . . 443 ARG HB2 . 19044 1 870 . 1 1 95 95 ARG HB3 H 1 1.97 0.03 . 2 . . . . 443 ARG HB3 . 19044 1 871 . 1 1 95 95 ARG HG2 H 1 1.42 0.03 . 2 . . . . 443 ARG HG2 . 19044 1 872 . 1 1 95 95 ARG HG3 H 1 1.73 0.03 . 2 . . . . 443 ARG HG3 . 19044 1 873 . 1 1 95 95 ARG HD2 H 1 3.01 0.03 . 2 . . . . 443 ARG HD2 . 19044 1 874 . 1 1 95 95 ARG HD3 H 1 3.32 0.03 . 2 . . . . 443 ARG HD3 . 19044 1 875 . 1 1 95 95 ARG C C 13 179.17 0.1 . 1 . . . . 443 ARG C . 19044 1 876 . 1 1 95 95 ARG CA C 13 60.09 0.1 . 1 . . . . 443 ARG CA . 19044 1 877 . 1 1 95 95 ARG CB C 13 30.32 0.15 . 1 . . . . 443 ARG CB . 19044 1 878 . 1 1 95 95 ARG CG C 13 26.91 0.1 . 1 . . . . 443 ARG CG . 19044 1 879 . 1 1 95 95 ARG CD C 13 42.83 0.1 . 1 . . . . 443 ARG CD . 19044 1 880 . 1 1 95 95 ARG N N 15 123.59 0.05 . 1 . . . . 443 ARG N . 19044 1 881 . 1 1 96 96 ILE H H 1 8.35 0.03 . 1 . . . . 444 ILE H . 19044 1 882 . 1 1 96 96 ILE HA H 1 3.56 0.01 . 1 . . . . 444 ILE HA . 19044 1 883 . 1 1 96 96 ILE HB H 1 1.73 0.02 . 1 . . . . 444 ILE HB . 19044 1 884 . 1 1 96 96 ILE HG12 H 1 1.15 0.03 . 2 . . . . 444 ILE HG12 . 19044 1 885 . 1 1 96 96 ILE HG13 H 1 1.15 0.03 . 2 . . . . 444 ILE HG13 . 19044 1 886 . 1 1 96 96 ILE HG21 H 1 0.93 0.03 . 1 . . . . 444 ILE HG2 . 19044 1 887 . 1 1 96 96 ILE HG22 H 1 0.93 0.03 . 1 . . . . 444 ILE HG2 . 19044 1 888 . 1 1 96 96 ILE HG23 H 1 0.93 0.03 . 1 . . . . 444 ILE HG2 . 19044 1 889 . 1 1 96 96 ILE HD11 H 1 0.65 0.03 . 1 . . . . 444 ILE HD1 . 19044 1 890 . 1 1 96 96 ILE HD12 H 1 0.65 0.03 . 1 . . . . 444 ILE HD1 . 19044 1 891 . 1 1 96 96 ILE HD13 H 1 0.65 0.03 . 1 . . . . 444 ILE HD1 . 19044 1 892 . 1 1 96 96 ILE C C 13 178.48 0.1 . 1 . . . . 444 ILE C . 19044 1 893 . 1 1 96 96 ILE CA C 13 66.2 0.03 . 1 . . . . 444 ILE CA . 19044 1 894 . 1 1 96 96 ILE CB C 13 38.54 0.06 . 1 . . . . 444 ILE CB . 19044 1 895 . 1 1 96 96 ILE CG1 C 13 29.46 0.1 . 1 . . . . 444 ILE CG1 . 19044 1 896 . 1 1 96 96 ILE CG2 C 13 17.83 0.1 . 1 . . . . 444 ILE CG2 . 19044 1 897 . 1 1 96 96 ILE CD1 C 13 14.28 0.1 . 1 . . . . 444 ILE CD1 . 19044 1 898 . 1 1 96 96 ILE N N 15 121.42 0.01 . 1 . . . . 444 ILE N . 19044 1 899 . 1 1 97 97 LYS H H 1 8.37 0.03 . 1 . . . . 445 LYS H . 19044 1 900 . 1 1 97 97 LYS HA H 1 3.29 0.03 . 1 . . . . 445 LYS HA . 19044 1 901 . 1 1 97 97 LYS HB2 H 1 1.71 0.03 . 2 . . . . 445 LYS HB2 . 19044 1 902 . 1 1 97 97 LYS HB3 H 1 1.71 0.03 . 2 . . . . 445 LYS HB3 . 19044 1 903 . 1 1 97 97 LYS HG2 H 1 0.76 0.03 . 2 . . . . 445 LYS HG2 . 19044 1 904 . 1 1 97 97 LYS HG3 H 1 0.78 0.03 . 2 . . . . 445 LYS HG3 . 19044 1 905 . 1 1 97 97 LYS HD2 H 1 1.31 0.03 . 2 . . . . 445 LYS HD2 . 19044 1 906 . 1 1 97 97 LYS HD3 H 1 1.51 0.03 . 2 . . . . 445 LYS HD3 . 19044 1 907 . 1 1 97 97 LYS HE2 H 1 2.34 0.03 . 2 . . . . 445 LYS HE2 . 19044 1 908 . 1 1 97 97 LYS HE3 H 1 2.51 0.03 . 2 . . . . 445 LYS HE3 . 19044 1 909 . 1 1 97 97 LYS C C 13 178.79 0.1 . 1 . . . . 445 LYS C . 19044 1 910 . 1 1 97 97 LYS CA C 13 60.89 0.06 . 1 . . . . 445 LYS CA . 19044 1 911 . 1 1 97 97 LYS CB C 13 32.42 0.05 . 1 . . . . 445 LYS CB . 19044 1 912 . 1 1 97 97 LYS CG C 13 24.88 0.1 . 1 . . . . 445 LYS CG . 19044 1 913 . 1 1 97 97 LYS CD C 13 30.1 0.1 . 1 . . . . 445 LYS CD . 19044 1 914 . 1 1 97 97 LYS CE C 13 41.58 0.1 . 1 . . . . 445 LYS CE . 19044 1 915 . 1 1 97 97 LYS N N 15 120.05 0.02 . 1 . . . . 445 LYS N . 19044 1 916 . 1 1 98 98 THR H H 1 8.09 0.03 . 1 . . . . 446 THR H . 19044 1 917 . 1 1 98 98 THR HA H 1 4.03 0.03 . 1 . . . . 446 THR HA . 19044 1 918 . 1 1 98 98 THR HB H 1 4.03 0.03 . 1 . . . . 446 THR HB . 19044 1 919 . 1 1 98 98 THR HG21 H 1 1.29 0.03 . 1 . . . . 446 THR HG2 . 19044 1 920 . 1 1 98 98 THR HG22 H 1 1.29 0.03 . 1 . . . . 446 THR HG2 . 19044 1 921 . 1 1 98 98 THR HG23 H 1 1.29 0.03 . 1 . . . . 446 THR HG2 . 19044 1 922 . 1 1 98 98 THR C C 13 175.73 0.1 . 1 . . . . 446 THR C . 19044 1 923 . 1 1 98 98 THR CA C 13 67.21 0.09 . 1 . . . . 446 THR CA . 19044 1 924 . 1 1 98 98 THR CB C 13 68.54 0.01 . 1 . . . . 446 THR CB . 19044 1 925 . 1 1 98 98 THR CG2 C 13 21.58 0.1 . 1 . . . . 446 THR CG2 . 19044 1 926 . 1 1 98 98 THR N N 15 116.83 0.04 . 1 . . . . 446 THR N . 19044 1 927 . 1 1 99 99 VAL H H 1 7.98 0.03 . 1 . . . . 447 VAL H . 19044 1 928 . 1 1 99 99 VAL HA H 1 3.9 0.03 . 1 . . . . 447 VAL HA . 19044 1 929 . 1 1 99 99 VAL HB H 1 2.73 0.03 . 1 . . . . 447 VAL HB . 19044 1 930 . 1 1 99 99 VAL HG11 H 1 1.22 0.03 . 2 . . . . 447 VAL HG1 . 19044 1 931 . 1 1 99 99 VAL HG12 H 1 1.22 0.03 . 2 . . . . 447 VAL HG1 . 19044 1 932 . 1 1 99 99 VAL HG13 H 1 1.22 0.03 . 2 . . . . 447 VAL HG1 . 19044 1 933 . 1 1 99 99 VAL HG21 H 1 1.38 0.03 . 2 . . . . 447 VAL HG2 . 19044 1 934 . 1 1 99 99 VAL HG22 H 1 1.38 0.03 . 2 . . . . 447 VAL HG2 . 19044 1 935 . 1 1 99 99 VAL HG23 H 1 1.38 0.03 . 2 . . . . 447 VAL HG2 . 19044 1 936 . 1 1 99 99 VAL C C 13 179.51 0.1 . 1 . . . . 447 VAL C . 19044 1 937 . 1 1 99 99 VAL CA C 13 66.92 0.28 . 1 . . . . 447 VAL CA . 19044 1 938 . 1 1 99 99 VAL CB C 13 31.98 0.05 . 1 . . . . 447 VAL CB . 19044 1 939 . 1 1 99 99 VAL CG1 C 13 21.4 0.1 . 2 . . . . 447 VAL CG1 . 19044 1 940 . 1 1 99 99 VAL CG2 C 13 22.28 0.1 . 2 . . . . 447 VAL CG2 . 19044 1 941 . 1 1 99 99 VAL N N 15 122.82 0.01 . 1 . . . . 447 VAL N . 19044 1 942 . 1 1 100 100 PHE H H 1 8.68 0.03 . 1 . . . . 448 PHE H . 19044 1 943 . 1 1 100 100 PHE HA H 1 4.36 0.03 . 1 . . . . 448 PHE HA . 19044 1 944 . 1 1 100 100 PHE HB2 H 1 3.13 0.03 . 2 . . . . 448 PHE HB2 . 19044 1 945 . 1 1 100 100 PHE HB3 H 1 3.14 0.03 . 2 . . . . 448 PHE HB3 . 19044 1 946 . 1 1 100 100 PHE HD1 H 1 6.92 0.03 . 3 . . . . 448 PHE HD . 19044 1 947 . 1 1 100 100 PHE HD2 H 1 6.92 0.03 . 3 . . . . 448 PHE HD . 19044 1 948 . 1 1 100 100 PHE HE1 H 1 7.34 0.03 . 3 . . . . 448 PHE HE . 19044 1 949 . 1 1 100 100 PHE HE2 H 1 7.34 0.03 . 3 . . . . 448 PHE HE . 19044 1 950 . 1 1 100 100 PHE C C 13 178.05 0.1 . 1 . . . . 448 PHE C . 19044 1 951 . 1 1 100 100 PHE CA C 13 63.46 0.06 . 1 . . . . 448 PHE CA . 19044 1 952 . 1 1 100 100 PHE CB C 13 40.01 0.04 . 1 . . . . 448 PHE CB . 19044 1 953 . 1 1 100 100 PHE CD1 C 13 132.19 0.02 . 1 . . . . 448 PHE CD . 19044 1 954 . 1 1 100 100 PHE CD2 C 13 132.19 0.02 . 1 . . . . 448 PHE CD . 19044 1 955 . 1 1 100 100 PHE CE1 C 13 131.14 0.1 . 1 . . . . 448 PHE CE . 19044 1 956 . 1 1 100 100 PHE CE2 C 13 131.14 0.1 . 1 . . . . 448 PHE CE . 19044 1 957 . 1 1 100 100 PHE N N 15 119.44 0.04 . 1 . . . . 448 PHE N . 19044 1 958 . 1 1 101 101 ARG H H 1 9.51 0.03 . 1 . . . . 449 ARG H . 19044 1 959 . 1 1 101 101 ARG HA H 1 3.85 0.03 . 1 . . . . 449 ARG HA . 19044 1 960 . 1 1 101 101 ARG HB2 H 1 1.95 0.03 . 2 . . . . 449 ARG HB2 . 19044 1 961 . 1 1 101 101 ARG HB3 H 1 2.12 0.03 . 2 . . . . 449 ARG HB3 . 19044 1 962 . 1 1 101 101 ARG HG2 H 1 1.41 0.03 . 2 . . . . 449 ARG HG2 . 19044 1 963 . 1 1 101 101 ARG HG3 H 1 1.43 0.03 . 2 . . . . 449 ARG HG3 . 19044 1 964 . 1 1 101 101 ARG HD2 H 1 3.25 0.03 . 2 . . . . 449 ARG HD2 . 19044 1 965 . 1 1 101 101 ARG HD3 H 1 3.25 0.03 . 2 . . . . 449 ARG HD3 . 19044 1 966 . 1 1 101 101 ARG C C 13 178.11 0.1 . 1 . . . . 449 ARG C . 19044 1 967 . 1 1 101 101 ARG CA C 13 60.66 0.05 . 1 . . . . 449 ARG CA . 19044 1 968 . 1 1 101 101 ARG CB C 13 30.48 0.03 . 1 . . . . 449 ARG CB . 19044 1 969 . 1 1 101 101 ARG CG C 13 28.33 0.1 . 1 . . . . 449 ARG CG . 19044 1 970 . 1 1 101 101 ARG CD C 13 43.35 0.09 . 1 . . . . 449 ARG CD . 19044 1 971 . 1 1 101 101 ARG N N 15 121.79 0.04 . 1 . . . . 449 ARG N . 19044 1 972 . 1 1 102 102 ASN H H 1 8.38 0.03 . 1 . . . . 450 ASN H . 19044 1 973 . 1 1 102 102 ASN HA H 1 4.45 0.02 . 1 . . . . 450 ASN HA . 19044 1 974 . 1 1 102 102 ASN HB2 H 1 2.73 0.02 . 2 . . . . 450 ASN HB2 . 19044 1 975 . 1 1 102 102 ASN HB3 H 1 3.12 0.03 . 2 . . . . 450 ASN HB3 . 19044 1 976 . 1 1 102 102 ASN C C 13 178.91 0.1 . 1 . . . . 450 ASN C . 19044 1 977 . 1 1 102 102 ASN CA C 13 55.61 0.08 . 1 . . . . 450 ASN CA . 19044 1 978 . 1 1 102 102 ASN CB C 13 37.55 0.06 . 1 . . . . 450 ASN CB . 19044 1 979 . 1 1 102 102 ASN N N 15 116.29 0.05 . 1 . . . . 450 ASN N . 19044 1 980 . 1 1 103 103 GLN H H 1 8.4 0.03 . 1 . . . . 451 GLN H . 19044 1 981 . 1 1 103 103 GLN HA H 1 4.03 0.03 . 1 . . . . 451 GLN HA . 19044 1 982 . 1 1 103 103 GLN HB2 H 1 1.6 0.03 . 2 . . . . 451 GLN HB2 . 19044 1 983 . 1 1 103 103 GLN HB3 H 1 1.6 0.03 . 2 . . . . 451 GLN HB3 . 19044 1 984 . 1 1 103 103 GLN HG2 H 1 2.24 0.03 . 2 . . . . 451 GLN HG2 . 19044 1 985 . 1 1 103 103 GLN HG3 H 1 2.24 0.03 . 2 . . . . 451 GLN HG3 . 19044 1 986 . 1 1 103 103 GLN C C 13 178.5 0.1 . 1 . . . . 451 GLN C . 19044 1 987 . 1 1 103 103 GLN CA C 13 57.72 0.05 . 1 . . . . 451 GLN CA . 19044 1 988 . 1 1 103 103 GLN CB C 13 27.62 0.03 . 1 . . . . 451 GLN CB . 19044 1 989 . 1 1 103 103 GLN CG C 13 33.03 0.1 . 1 . . . . 451 GLN CG . 19044 1 990 . 1 1 103 103 GLN N N 15 120.14 0.02 . 1 . . . . 451 GLN N . 19044 1 991 . 1 1 104 104 LEU H H 1 8.51 0.03 . 1 . . . . 452 LEU H . 19044 1 992 . 1 1 104 104 LEU HA H 1 4.03 0.03 . 1 . . . . 452 LEU HA . 19044 1 993 . 1 1 104 104 LEU HB2 H 1 2.06 0.03 . 2 . . . . 452 LEU HB2 . 19044 1 994 . 1 1 104 104 LEU HB3 H 1 2.07 0.03 . 2 . . . . 452 LEU HB3 . 19044 1 995 . 1 1 104 104 LEU HG H 1 1.45 0.03 . 1 . . . . 452 LEU HG . 19044 1 996 . 1 1 104 104 LEU HD11 H 1 1 0.03 . 2 . . . . 452 LEU HD1 . 19044 1 997 . 1 1 104 104 LEU HD12 H 1 1 0.03 . 2 . . . . 452 LEU HD1 . 19044 1 998 . 1 1 104 104 LEU HD13 H 1 1 0.03 . 2 . . . . 452 LEU HD1 . 19044 1 999 . 1 1 104 104 LEU HD21 H 1 1.2 0.03 . 2 . . . . 452 LEU HD2 . 19044 1 1000 . 1 1 104 104 LEU HD22 H 1 1.2 0.03 . 2 . . . . 452 LEU HD2 . 19044 1 1001 . 1 1 104 104 LEU HD23 H 1 1.2 0.03 . 2 . . . . 452 LEU HD2 . 19044 1 1002 . 1 1 104 104 LEU C C 13 178.19 0.1 . 1 . . . . 452 LEU C . 19044 1 1003 . 1 1 104 104 LEU CA C 13 58.84 0.1 . 1 . . . . 452 LEU CA . 19044 1 1004 . 1 1 104 104 LEU CB C 13 41.46 0.04 . 1 . . . . 452 LEU CB . 19044 1 1005 . 1 1 104 104 LEU CG C 13 28.15 0.1 . 1 . . . . 452 LEU CG . 19044 1 1006 . 1 1 104 104 LEU CD1 C 13 24.11 0.1 . 2 . . . . 452 LEU CD1 . 19044 1 1007 . 1 1 104 104 LEU CD2 C 13 26.48 0.1 . 2 . . . . 452 LEU CD2 . 19044 1 1008 . 1 1 104 104 LEU N N 15 120.52 0.02 . 1 . . . . 452 LEU N . 19044 1 1009 . 1 1 105 105 LYS H H 1 7.86 0.03 . 1 . . . . 453 LYS H . 19044 1 1010 . 1 1 105 105 LYS HA H 1 4.14 0.03 . 1 . . . . 453 LYS HA . 19044 1 1011 . 1 1 105 105 LYS HB2 H 1 1.96 0.03 . 2 . . . . 453 LYS HB2 . 19044 1 1012 . 1 1 105 105 LYS HB3 H 1 1.96 0.03 . 2 . . . . 453 LYS HB3 . 19044 1 1013 . 1 1 105 105 LYS HG2 H 1 1.48 0.03 . 2 . . . . 453 LYS HG2 . 19044 1 1014 . 1 1 105 105 LYS HG3 H 1 1.64 0.03 . 2 . . . . 453 LYS HG3 . 19044 1 1015 . 1 1 105 105 LYS HD2 H 1 1.79 0.03 . 2 . . . . 453 LYS HD2 . 19044 1 1016 . 1 1 105 105 LYS HD3 H 1 1.79 0.03 . 2 . . . . 453 LYS HD3 . 19044 1 1017 . 1 1 105 105 LYS HE2 H 1 3.02 0.03 . 2 . . . . 453 LYS HE2 . 19044 1 1018 . 1 1 105 105 LYS HE3 H 1 3.04 0.03 . 2 . . . . 453 LYS HE3 . 19044 1 1019 . 1 1 105 105 LYS C C 13 178.09 0.1 . 1 . . . . 453 LYS C . 19044 1 1020 . 1 1 105 105 LYS CA C 13 57.6 0.04 . 1 . . . . 453 LYS CA . 19044 1 1021 . 1 1 105 105 LYS CB C 13 32.17 0.07 . 1 . . . . 453 LYS CB . 19044 1 1022 . 1 1 105 105 LYS CG C 13 25.19 0.1 . 1 . . . . 453 LYS CG . 19044 1 1023 . 1 1 105 105 LYS CD C 13 29.4 0.1 . 1 . . . . 453 LYS CD . 19044 1 1024 . 1 1 105 105 LYS CE C 13 42.43 0.1 . 1 . . . . 453 LYS CE . 19044 1 1025 . 1 1 105 105 LYS N N 15 115.93 0.04 . 1 . . . . 453 LYS N . 19044 1 1026 . 1 1 106 106 ALA H H 1 7.39 0.03 . 1 . . . . 454 ALA H . 19044 1 1027 . 1 1 106 106 ALA HA H 1 4.13 0.03 . 1 . . . . 454 ALA HA . 19044 1 1028 . 1 1 106 106 ALA HB1 H 1 1.47 0.03 . 1 . . . . 454 ALA HB . 19044 1 1029 . 1 1 106 106 ALA HB2 H 1 1.47 0.03 . 1 . . . . 454 ALA HB . 19044 1 1030 . 1 1 106 106 ALA HB3 H 1 1.47 0.03 . 1 . . . . 454 ALA HB . 19044 1 1031 . 1 1 106 106 ALA C C 13 179.77 0.1 . 1 . . . . 454 ALA C . 19044 1 1032 . 1 1 106 106 ALA CA C 13 54.05 0.13 . 1 . . . . 454 ALA CA . 19044 1 1033 . 1 1 106 106 ALA CB C 13 18.08 0.06 . 1 . . . . 454 ALA CB . 19044 1 1034 . 1 1 106 106 ALA N N 15 119.62 0.02 . 1 . . . . 454 ALA N . 19044 1 1035 . 1 1 107 107 VAL H H 1 7.38 0.03 . 1 . . . . 455 VAL H . 19044 1 1036 . 1 1 107 107 VAL HA H 1 4.02 0.03 . 1 . . . . 455 VAL HA . 19044 1 1037 . 1 1 107 107 VAL HB H 1 2.32 0.03 . 1 . . . . 455 VAL HB . 19044 1 1038 . 1 1 107 107 VAL HG11 H 1 1.07 0.03 . 2 . . . . 455 VAL HG1 . 19044 1 1039 . 1 1 107 107 VAL HG12 H 1 1.07 0.03 . 2 . . . . 455 VAL HG1 . 19044 1 1040 . 1 1 107 107 VAL HG13 H 1 1.07 0.03 . 2 . . . . 455 VAL HG1 . 19044 1 1041 . 1 1 107 107 VAL HG21 H 1 1.08 0.03 . 2 . . . . 455 VAL HG2 . 19044 1 1042 . 1 1 107 107 VAL HG22 H 1 1.08 0.03 . 2 . . . . 455 VAL HG2 . 19044 1 1043 . 1 1 107 107 VAL HG23 H 1 1.08 0.03 . 2 . . . . 455 VAL HG2 . 19044 1 1044 . 1 1 107 107 VAL C C 13 176.76 0.1 . 1 . . . . 455 VAL C . 19044 1 1045 . 1 1 107 107 VAL CA C 13 64.27 0.02 . 1 . . . . 455 VAL CA . 19044 1 1046 . 1 1 107 107 VAL CB C 13 31.94 0.04 . 1 . . . . 455 VAL CB . 19044 1 1047 . 1 1 107 107 VAL CG1 C 13 20.14 0.1 . 2 . . . . 455 VAL CG1 . 19044 1 1048 . 1 1 107 107 VAL CG2 C 13 21.69 0.1 . 2 . . . . 455 VAL CG2 . 19044 1 1049 . 1 1 107 107 VAL N N 15 116.68 0.04 . 1 . . . . 455 VAL N . 19044 1 1050 . 1 1 108 108 ASP H H 1 7.82 0.03 . 1 . . . . 456 ASP H . 19044 1 1051 . 1 1 108 108 ASP HA H 1 4.68 0.03 . 1 . . . . 456 ASP HA . 19044 1 1052 . 1 1 108 108 ASP HB2 H 1 2.62 0.03 . 2 . . . . 456 ASP HB2 . 19044 1 1053 . 1 1 108 108 ASP HB3 H 1 2.8 0.03 . 2 . . . . 456 ASP HB3 . 19044 1 1054 . 1 1 108 108 ASP C C 13 175.74 0.1 . 1 . . . . 456 ASP C . 19044 1 1055 . 1 1 108 108 ASP CA C 13 54.29 0.1 . 1 . . . . 456 ASP CA . 19044 1 1056 . 1 1 108 108 ASP CB C 13 41.47 0.12 . 1 . . . . 456 ASP CB . 19044 1 1057 . 1 1 108 108 ASP N N 15 119.12 0.04 . 1 . . . . 456 ASP N . 19044 1 1058 . 1 1 109 109 SER H H 1 8.7 0.03 . 1 . . . . 457 SER H . 19044 1 1059 . 1 1 109 109 SER HA H 1 4.59 0.03 . 1 . . . . 457 SER HA . 19044 1 1060 . 1 1 109 109 SER HB2 H 1 4.23 0.03 . 2 . . . . 457 SER HB2 . 19044 1 1061 . 1 1 109 109 SER HB3 H 1 4.41 0.03 . 2 . . . . 457 SER HB3 . 19044 1 1062 . 1 1 109 109 SER HG H 1 4.71 0.03 . 1 . . . . 457 SER HG . 19044 1 1063 . 1 1 109 109 SER C C 13 175.63 0.1 . 1 . . . . 457 SER C . 19044 1 1064 . 1 1 109 109 SER CA C 13 60.7 0.09 . 1 . . . . 457 SER CA . 19044 1 1065 . 1 1 109 109 SER CB C 13 63.24 0.06 . 1 . . . . 457 SER CB . 19044 1 1066 . 1 1 109 109 SER N N 15 121.76 0.03 . 1 . . . . 457 SER N . 19044 1 1067 . 1 1 110 110 SER H H 1 8.86 0.03 . 1 . . . . 458 SER H . 19044 1 1068 . 1 1 110 110 SER HA H 1 4.72 0.03 . 1 . . . . 458 SER HA . 19044 1 1069 . 1 1 110 110 SER HB2 H 1 4.36 0.03 . 2 . . . . 458 SER HB2 . 19044 1 1070 . 1 1 110 110 SER HB3 H 1 4.54 0.03 . 2 . . . . 458 SER HB3 . 19044 1 1071 . 1 1 110 110 SER HG H 1 4.84 0.03 . 1 . . . . 458 SER HG . 19044 1 1072 . 1 1 110 110 SER C C 13 175.02 0.1 . 1 . . . . 458 SER C . 19044 1 1073 . 1 1 110 110 SER CA C 13 58.9 0.07 . 1 . . . . 458 SER CA . 19044 1 1074 . 1 1 110 110 SER CB C 13 64.49 0.07 . 1 . . . . 458 SER CB . 19044 1 1075 . 1 1 110 110 SER N N 15 119.02 0.04 . 1 . . . . 458 SER N . 19044 1 1076 . 1 1 111 111 LEU H H 1 7.39 0.03 . 1 . . . . 459 LEU H . 19044 1 1077 . 1 1 111 111 LEU HA H 1 4.44 0.01 . 1 . . . . 459 LEU HA . 19044 1 1078 . 1 1 111 111 LEU HB2 H 1 1.68 0.03 . 2 . . . . 459 LEU HB2 . 19044 1 1079 . 1 1 111 111 LEU HB3 H 1 1.69 0.03 . 2 . . . . 459 LEU HB3 . 19044 1 1080 . 1 1 111 111 LEU HG H 1 1.45 0.03 . 1 . . . . 459 LEU HG . 19044 1 1081 . 1 1 111 111 LEU HD11 H 1 0.89 0.03 . 2 . . . . 459 LEU HD1 . 19044 1 1082 . 1 1 111 111 LEU HD12 H 1 0.89 0.03 . 2 . . . . 459 LEU HD1 . 19044 1 1083 . 1 1 111 111 LEU HD13 H 1 0.89 0.03 . 2 . . . . 459 LEU HD1 . 19044 1 1084 . 1 1 111 111 LEU HD21 H 1 0.98 0.03 . 2 . . . . 459 LEU HD2 . 19044 1 1085 . 1 1 111 111 LEU HD22 H 1 0.98 0.03 . 2 . . . . 459 LEU HD2 . 19044 1 1086 . 1 1 111 111 LEU HD23 H 1 0.98 0.03 . 2 . . . . 459 LEU HD2 . 19044 1 1087 . 1 1 111 111 LEU C C 13 175.63 0.1 . 1 . . . . 459 LEU C . 19044 1 1088 . 1 1 111 111 LEU CA C 13 53.74 0.1 . 1 . . . . 459 LEU CA . 19044 1 1089 . 1 1 111 111 LEU CB C 13 43.03 0.1 . 1 . . . . 459 LEU CB . 19044 1 1090 . 1 1 111 111 LEU N N 15 126.9 0.03 . 1 . . . . 459 LEU N . 19044 1 1091 . 1 1 112 112 PRO HA H 1 4.67 0.03 . 1 . . . . 460 PRO HA . 19044 1 1092 . 1 1 112 112 PRO HB2 H 1 2.43 0.03 . 2 . . . . 460 PRO HB2 . 19044 1 1093 . 1 1 112 112 PRO HB3 H 1 2.45 0.03 . 2 . . . . 460 PRO HB3 . 19044 1 1094 . 1 1 112 112 PRO HG2 H 1 2.14 0.03 . 2 . . . . 460 PRO HG2 . 19044 1 1095 . 1 1 112 112 PRO HG3 H 1 2.31 0.03 . 2 . . . . 460 PRO HG3 . 19044 1 1096 . 1 1 112 112 PRO HD2 H 1 3.62 0.03 . 2 . . . . 460 PRO HD2 . 19044 1 1097 . 1 1 112 112 PRO HD3 H 1 4.18 0.03 . 2 . . . . 460 PRO HD3 . 19044 1 1098 . 1 1 112 112 PRO C C 13 175.27 0.1 . 1 . . . . 460 PRO C . 19044 1 1099 . 1 1 112 112 PRO CA C 13 61.96 0.05 . 1 . . . . 460 PRO CA . 19044 1 1100 . 1 1 112 112 PRO CB C 13 29.74 0.08 . 1 . . . . 460 PRO CB . 19044 1 1101 . 1 1 112 112 PRO CG C 13 27.68 0.1 . 1 . . . . 460 PRO CG . 19044 1 1102 . 1 1 112 112 PRO CD C 13 50.93 0.1 . 1 . . . . 460 PRO CD . 19044 1 1103 . 1 1 113 113 VAL H H 1 8.03 0.03 . 1 . . . . 461 VAL H . 19044 1 1104 . 1 1 113 113 VAL HA H 1 4.2 0.01 . 1 . . . . 461 VAL HA . 19044 1 1105 . 1 1 113 113 VAL HB H 1 1.9 0.03 . 1 . . . . 461 VAL HB . 19044 1 1106 . 1 1 113 113 VAL HG11 H 1 0.41 0.03 . 2 . . . . 461 VAL HG1 . 19044 1 1107 . 1 1 113 113 VAL HG12 H 1 0.41 0.03 . 2 . . . . 461 VAL HG1 . 19044 1 1108 . 1 1 113 113 VAL HG13 H 1 0.41 0.03 . 2 . . . . 461 VAL HG1 . 19044 1 1109 . 1 1 113 113 VAL HG21 H 1 0.9 0.03 . 2 . . . . 461 VAL HG2 . 19044 1 1110 . 1 1 113 113 VAL HG22 H 1 0.9 0.03 . 2 . . . . 461 VAL HG2 . 19044 1 1111 . 1 1 113 113 VAL HG23 H 1 0.9 0.03 . 2 . . . . 461 VAL HG2 . 19044 1 1112 . 1 1 113 113 VAL C C 13 175.92 0.1 . 1 . . . . 461 VAL C . 19044 1 1113 . 1 1 113 113 VAL CA C 13 59.9 0.12 . 1 . . . . 461 VAL CA . 19044 1 1114 . 1 1 113 113 VAL CB C 13 32.41 0.1 . 1 . . . . 461 VAL CB . 19044 1 1115 . 1 1 113 113 VAL N N 15 123.5 0.06 . 1 . . . . 461 VAL N . 19044 1 1116 . 1 1 114 114 PRO HA H 1 4.86 0.03 . 1 . . . . 462 PRO HA . 19044 1 1117 . 1 1 114 114 PRO HB2 H 1 2.39 0.03 . 2 . . . . 462 PRO HB2 . 19044 1 1118 . 1 1 114 114 PRO HB3 H 1 2.55 0.03 . 2 . . . . 462 PRO HB3 . 19044 1 1119 . 1 1 114 114 PRO HG2 H 1 1.99 0.03 . 2 . . . . 462 PRO HG2 . 19044 1 1120 . 1 1 114 114 PRO HG3 H 1 2.1 0.03 . 2 . . . . 462 PRO HG3 . 19044 1 1121 . 1 1 114 114 PRO HD2 H 1 3.49 0.03 . 2 . . . . 462 PRO HD2 . 19044 1 1122 . 1 1 114 114 PRO HD3 H 1 4.07 0.03 . 2 . . . . 462 PRO HD3 . 19044 1 1123 . 1 1 114 114 PRO C C 13 174.33 0.1 . 1 . . . . 462 PRO C . 19044 1 1124 . 1 1 114 114 PRO CA C 13 63.57 0.07 . 1 . . . . 462 PRO CA . 19044 1 1125 . 1 1 114 114 PRO CB C 13 30.46 0.04 . 1 . . . . 462 PRO CB . 19044 1 1126 . 1 1 114 114 PRO CG C 13 26.78 0.1 . 1 . . . . 462 PRO CG . 19044 1 1127 . 1 1 114 114 PRO CD C 13 50.93 0.1 . 1 . . . . 462 PRO CD . 19044 1 1128 . 1 1 115 115 PHE H H 1 6.95 0.03 . 1 . . . . 463 PHE H . 19044 1 1129 . 1 1 115 115 PHE HD1 H 1 7.58 0.03 . 3 . . . . 463 PHE HD1 . 19044 1 1130 . 1 1 115 115 PHE HD2 H 1 7.59 0.03 . 3 . . . . 463 PHE HD2 . 19044 1 1131 . 1 1 115 115 PHE C C 13 178.91 0.1 . 1 . . . . 463 PHE C . 19044 1 1132 . 1 1 115 115 PHE CA C 13 57.27 0.1 . 1 . . . . 463 PHE CA . 19044 1 1133 . 1 1 115 115 PHE CB C 13 40.08 0.07 . 1 . . . . 463 PHE CB . 19044 1 1134 . 1 1 115 115 PHE CD2 C 13 131.4 0.01 . 3 . . . . 463 PHE CD2 . 19044 1 1135 . 1 1 115 115 PHE CE1 C 13 130.87 0.1 . 3 . . . . 463 PHE CE1 . 19044 1 1136 . 1 1 115 115 PHE N N 15 123.19 0.05 . 1 . . . . 463 PHE N . 19044 1 stop_ save_