data_6468 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6468 _Entry.Title ; 1H, 13C and 15N backbone resonance assignment of p38 mitogen-activated protein kinase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-01-21 _Entry.Accession_date 2005-01-21 _Entry.Last_release_date 2006-01-06 _Entry.Original_release_date 2006-01-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Martin Vogtherr . . . 6468 2 Krishna Saxena . . . 6468 3 Susanne Grimme . . . 6468 4 Marco Betz . . . 6468 5 Ulrich Schieborr . . . 6468 6 Barbara Pescatore . . . 6468 7 Thomas Langer . . . 6468 8 Harald Schwalbe . . . 6468 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6468 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 219 6468 '13C chemical shifts' 684 6468 '15N chemical shifts' 219 6468 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 . . 2006-01-06 2005-01-21 original author . 6468 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6468 _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 'NMR backbone assignment of the mitogen-activated protein (MAP) kinase p38' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 175 _Citation.Page_last 175 _Citation.Year 2005 _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 Martin Vogtherr . . . 6468 1 2 Krishna Saxena . . . 6468 1 3 Susanne Grimme . . . 6468 1 4 Marco Betz . . . 6468 1 5 Ulrich Schieborr . . . 6468 1 6 Barbara Pescatore . . . 6468 1 7 Thomas Langer . . . 6468 1 8 Harald Schwalbe . . . 6468 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_p38 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_p38 _Assembly.Entry_ID 6468 _Assembly.ID 1 _Assembly.Name 'mitogen-activated protein kinase p38 alpha' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.1.- _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6468 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'p38 alpha' 1 $p38 . . . native . . . . . 6468 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'mitogen-activated protein kinase p38 alpha' system 6468 1 p38 abbreviation 6468 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'protein kinase' 6468 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p38 _Entity.Sf_category entity _Entity.Sf_framecode p38 _Entity.Entry_ID 6468 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'mitogen-activated protein kinase p38 alpha' _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 ; GHNSQERPTFYRQELNKTIW EVPERYQNLSPVGSGAYGSV CAAFDTKTGHRVAVKKLSRP FQSIIHAKRTYRELRLLKHM KHENVIGLLDVFTPARSLEE FNDVYLVTHLMGADLNNIVK CQKLTDDHVQFLIYQILRGL KYIHSADIIHRDLKPSNLAV NEDCELKILDFGLARHTDDE MTGYVATRWYRAPEIMLNWM HYNQTVDIWSVGCIMAELLT GRTLFPGTDHIDQLKLILRL VGTPGAELLKKISSESARNY IQSLAQMPKMNFANVFIGAN PLAVDLLEKMLVLDSDKRIT AAQALAHAYFAQYHDPDDEP VADPYDQSFESRDLLIDEWK SLTYDEVISFV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 351 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17471 . p38_alpha . . . . . 100.28 352 98.86 98.86 0.00e+00 . . . . 6468 1 2 no BMRB 17940 . p38alpha . . . . . 99.43 349 100.00 100.00 0.00e+00 . . . . 6468 1 3 no BMRB 19930 . Non-phosphorylated_human_p38_alpha_(apo) . . . . . 99.72 367 99.14 99.43 0.00e+00 . . . . 6468 1 4 no BMRB 19934 . Dual-phosphorylated_human_p38_alpha_(apo) . . . . . 99.72 367 98.57 98.86 0.00e+00 . . . . 6468 1 5 no BMRB 19935 . Dual-phosphorylated_human_p38_alpha . . . . . 99.72 367 98.57 98.86 0.00e+00 . . . . 6468 1 6 no BMRB 19936 . dual-phosphorylated_human_p38_alpha_(apo) . . . . . 99.72 367 98.57 98.86 0.00e+00 . . . . 6468 1 7 no BMRB 19937 . dual-phosphorylated_human_p38_alpha_(apo) . . . . . 99.72 367 98.57 98.86 0.00e+00 . . . . 6468 1 8 no PDB 1A9U . "The Complex Structure Of The Map Kinase P38SB203580" . . . . . 100.00 379 98.86 98.86 0.00e+00 . . . . 6468 1 9 no PDB 1BL6 . "The Complex Structure Of The Map Kinase P38SB216995" . . . . . 100.00 379 98.86 98.86 0.00e+00 . . . . 6468 1 10 no PDB 1BL7 . "The Complex Structure Of The Map Kinase P38SB220025" . . . . . 100.00 379 98.86 98.86 0.00e+00 . . . . 6468 1 11 no PDB 1BMK . "The Complex Structure Of The Map Kinase P38SB218655" . . . . . 100.00 379 99.43 99.43 0.00e+00 . . . . 6468 1 12 no PDB 1DI9 . "The Structure Of P38 Mitogen-Activated Protein Kinase In Complex With 4-[3-Methylsulfanylanilino]-6,7- Dimethoxyquinazoline" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 13 no PDB 1IAN . "Human P38 Map Kinase Inhibitor Complex" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 14 no PDB 1KV1 . "P38 Map Kinase In Complex With Inhibitor 1" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 15 no PDB 1KV2 . "Human P38 Map Kinase In Complex With Birb 796" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 16 no PDB 1LEW . "Crystal Structure Of Map Kinase P38 Complexed To The Docking Site On Its Nuclear Substrate Mef2a" . . . . . 99.15 360 100.00 100.00 0.00e+00 . . . . 6468 1 17 no PDB 1LEZ . "Crystal Structure Of Map Kinase P38 Complexed To The Docking Site On Its Activator Mkk3b" . . . . . 99.15 360 100.00 100.00 0.00e+00 . . . . 6468 1 18 no PDB 1M7Q . "Crystal Structure Of P38 Map Kinase In Complex With A Dihydroquinazolinone Inhibitor" . . . . . 99.15 366 99.43 99.43 0.00e+00 . . . . 6468 1 19 no PDB 1OUK . "The Structure Of P38 Alpha In Complex With A Pyridinylimidazole Inhibitor" . . . . . 99.15 366 99.43 99.43 0.00e+00 . . . . 6468 1 20 no PDB 1OUY . "The Structure Of P38 Alpha In Complex With A Dihydropyrido- Pyrimidine Inhibitor" . . . . . 99.15 366 99.43 99.43 0.00e+00 . . . . 6468 1 21 no PDB 1OVE . "The Structure Of P38 Alpha In Complex With A Dihydroquinolinone" . . . . . 99.15 366 99.14 99.14 0.00e+00 . . . . 6468 1 22 no PDB 1OZ1 . "P38 Mitogen-Activated Kinase In Complex With 4-Azaindole Inhibitor" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 23 no PDB 1P38 . "The Structure Of The Map Kinase P38 At 2.1 Angstoms Resolution" . . . . . 100.00 379 99.43 99.43 0.00e+00 . . . . 6468 1 24 no PDB 1R39 . "The Structure Of P38alpha" . . . . . 99.15 366 99.43 99.43 0.00e+00 . . . . 6468 1 25 no PDB 1R3C . "The Structure Of P38alpha C162s Mutant" . . . . . 99.15 366 99.14 99.14 0.00e+00 . . . . 6468 1 26 no PDB 1W7H . "P38 Kinase Crystal Structure In Complex With Small Molecule Inhibitor" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 27 no PDB 1W82 . "P38 Kinase Crystal Structure In Complex With Small Molecule Inhibitor" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 28 no PDB 1W83 . "P38 Kinase Crystal Structure In Complex With Small Molecule Inhibitor" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 29 no PDB 1W84 . "P38 Kinase Crystal Structure In Complex With Small Molecule Inhibitor" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 30 no PDB 1WBN . "Fragment Based P38 Inhibitors" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 31 no PDB 1WBO . "Fragment Based P38 Inhibitors" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 32 no PDB 1WBS . "Identification Of Novel P38 Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation." . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 33 no PDB 1WBT . "Identification Of Novel P38 Alpha Map Kinase Inhibitors Using Fragment-based Lead Generation." . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 34 no PDB 1WBV . "Identification Of Novel P38 Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation." . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 35 no PDB 1WBW . "Identification Of Novel P38 Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation." . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 36 no PDB 1WFC . "Structure Of Apo, Unphosphorylated, P38 Mitogen Activated Protein Kinase P38 (P38 Map Kinase) The Mammalian Homologue Of The Ye" . . . . . 99.15 366 99.43 99.43 0.00e+00 . . . . 6468 1 37 no PDB 1YQJ . "Crystal Structure Of P38 Alpha In Complex With A Selective Pyridazine Inhibitor" . . . . . 99.15 366 99.43 99.43 0.00e+00 . . . . 6468 1 38 no PDB 1YW2 . "Mutated Mus Musculus P38 Kinase (Mp38)" . . . . . 99.15 360 99.43 99.71 0.00e+00 . . . . 6468 1 39 no PDB 1YWR . "Crystal Structure Analysis Of Inactive P38 Kinase Domain In Complex With A Monocyclic Pyrazolone Inhibitor" . . . . . 99.15 360 99.14 99.43 0.00e+00 . . . . 6468 1 40 no PDB 1ZYJ . "Human P38 Map Kinase In Complex With Inhibitor 1a" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 41 no PDB 1ZZ2 . "Two Classes Of P38alpha Map Kinase Inhibitors Having A Common Diphenylether Core But Exhibiting Divergent Binding Modes" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 42 no PDB 1ZZL . "Crystal Structure Of P38 With Triazolopyridine" . . . . . 98.58 351 99.42 99.42 0.00e+00 . . . . 6468 1 43 no PDB 2BAJ . "P38alpha Bound To Pyrazolourea" . . . . . 99.72 365 99.14 99.43 0.00e+00 . . . . 6468 1 44 no PDB 2BAK . "P38alpha Map Kinase Bound To Mpaq" . . . . . 99.72 365 99.14 99.43 0.00e+00 . . . . 6468 1 45 no PDB 2BAL . "P38alpha Map Kinase Bound To Pyrazoloamine" . . . . . 99.72 365 98.86 99.14 0.00e+00 . . . . 6468 1 46 no PDB 2BAQ . "P38alpha Bound To Ro3201195" . . . . . 99.72 365 98.57 99.14 0.00e+00 . . . . 6468 1 47 no PDB 2EWA . "Dual Binding Mode Of Pyridinylimidazole To Map Kinase P38" . . . . . 100.00 379 98.86 98.86 0.00e+00 . . . . 6468 1 48 no PDB 2FSL . "Mitogen Activated Protein Kinase P38alpha (D176a+f327s) Activating Mutant Form-A" . . . . . 99.72 367 98.57 98.86 0.00e+00 . . . . 6468 1 49 no PDB 2FSM . "Mitogen Activated Protein Kinase P38alpha (D176a+f327s) Activating Mutant Form-B" . . . . . 99.72 367 98.57 98.86 0.00e+00 . . . . 6468 1 50 no PDB 2FSO . "Mitogen Activated Protein Kinase P38alpha (D176a) Activating Mutant" . . . . . 99.72 367 98.86 99.14 0.00e+00 . . . . 6468 1 51 no PDB 2FST . "Mitogen Activated Protein Kinase P38alpha (d176a+f327l) Activating Mutant" . . . . . 99.72 367 98.57 98.86 0.00e+00 . . . . 6468 1 52 no PDB 2GFS . "P38 Kinase Crystal Structure In Complex With Ro3201195" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 53 no PDB 2GHL . "Mutant Mus Musculus P38 Kinase Domain In Complex With Inhibitor Pg-874743" . . . . . 98.29 348 99.42 99.71 0.00e+00 . . . . 6468 1 54 no PDB 2GHM . "Mutated Map Kinase P38 (Mus Musculus) In Complex With Inhbitor Pg-895449" . . . . . 98.29 348 99.42 99.71 0.00e+00 . . . . 6468 1 55 no PDB 2GTM . "Mutated Mouse P38 Map Kinase Domain In Complex With Inhibitor Pg-892579" . . . . . 98.29 348 100.00 100.00 0.00e+00 . . . . 6468 1 56 no PDB 2GTN . "Mutated Map Kinase P38 (mus Musculus) In Complex With Inhbitor Pg-951717" . . . . . 98.29 348 100.00 100.00 0.00e+00 . . . . 6468 1 57 no PDB 2I0H . "The Structure Of P38alpha In Complex With An Arylpyridazinone" . . . . . 99.15 366 99.14 99.14 0.00e+00 . . . . 6468 1 58 no PDB 2LGC . "Joint Nmr And X-Ray Refinement Reveals The Structure Of A Novel Dibenzo[a,D]cycloheptenone InhibitorP38 MAP KINASE COMPLEX IN S" . . . . . 99.15 359 99.43 99.43 0.00e+00 . . . . 6468 1 59 no PDB 2NPQ . "A Novel Lipid Binding Site In The P38 Alpha Map Kinase" . . . . . 99.72 367 99.14 99.43 0.00e+00 . . . . 6468 1 60 no PDB 2OKR . "Crystal Structure Of The P38a-Mapkap Kinase 2 Heterodimer" . . . . . 99.15 366 99.43 99.43 0.00e+00 . . . . 6468 1 61 no PDB 2ONL . "Crystal Structure Of The P38a-Mapkap Kinase 2 Heterodimer" . . . . . 99.15 366 99.43 99.43 0.00e+00 . . . . 6468 1 62 no PDB 2OZA . "Structure Of P38alpha Complex" . . . . . 99.72 366 99.71 100.00 0.00e+00 . . . . 6468 1 63 no PDB 2PUU . "Crystal Structure Of P38 Complex With 1-(5-Tert-Butyl-2-P- Tolyl-2h-Pyrazol-3-Yl)-3-[4-(6-Morpholin-4-Ylmethyl- Pyridin-3-Yl)na" . . . . . 98.29 348 99.42 99.42 0.00e+00 . . . . 6468 1 64 no PDB 2QD9 . "P38 Alpha Map Kinase Inhibitor Based On Heterobicyclic Scaffolds" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 65 no PDB 2RG5 . "Phenylalanine Pyrrolotriazine P38 Alpha Map Kinase Inhibitor Compound 11b" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 66 no PDB 2RG6 . "Phenylalanine Pyrrolotriazine P38 Alpha Map Kinase Inhibitor Compound 11j" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 67 no PDB 2Y8O . "Crystal Structure Of Human P38alpha Complexed With A Mapk Docking Peptide" . . . . . 100.00 362 98.58 98.58 0.00e+00 . . . . 6468 1 68 no PDB 2YIS . "Triazolopyridine Inhibitors Of P38 Kinase." . . . . . 99.15 359 99.43 99.43 0.00e+00 . . . . 6468 1 69 no PDB 2YIW . "Triazolopyridine Inhibitors Of P38 Kinase" . . . . . 99.15 359 99.43 99.43 0.00e+00 . . . . 6468 1 70 no PDB 2YIX . "Triazolopyridine Inhibitors Of P38" . . . . . 98.58 351 99.42 99.42 0.00e+00 . . . . 6468 1 71 no PDB 2ZAZ . "Crystal Structure Of P38 In Complex With 4-Anilino Quinoline Inhibitor" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 72 no PDB 2ZB0 . "Crystal Structure Of P38 In Complex With Biphenyl Amide Inhibitor" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 73 no PDB 2ZB1 . "Crystal Structure Of P38 In Complex With Biphenyl Amide Inhibitor" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 74 no PDB 3BV2 . "Morpholino Pyrrolotriazine P38 Alpha Map Kinase Inhibitor Compound 30" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 75 no PDB 3BV3 . "Morpholino Pyrrolotriazine P38 Alpha Map Kinase Inhibitor Compound 2" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 76 no PDB 3BX5 . "P38 Alpha Map Kinase Complexed With Bms-640994" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 77 no PDB 3C5U . "P38 Alpha Map Kinase Complexed With A Benzothiazole Based Inhibitor" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 78 no PDB 3CTQ . "Structure Of Map Kinase P38 In Complex With A 1-O-Tolyl-1,2, 3-Triazole-4-Carboxamide" . . . . . 98.29 348 99.42 99.42 0.00e+00 . . . . 6468 1 79 no PDB 3D7Z . "Crystal Structure Of P38 Kinase In Complex With A Biphenyl Amide Inhibitor" . . . . . 99.15 360 99.14 99.14 0.00e+00 . . . . 6468 1 80 no PDB 3D83 . "Crystal Structure Of P38 Kinase In Complex With A Biphenyl Amide Inhibitor" . . . . . 99.15 360 98.85 98.85 0.00e+00 . . . . 6468 1 81 no PDB 3DS6 . "P38 Complex With A Phthalazine Inhibitor" . . . . . 99.15 366 99.43 99.43 0.00e+00 . . . . 6468 1 82 no PDB 3DT1 . "P38 Complexed With A Quinazoline Inhibitor" . . . . . 99.15 383 99.43 99.43 0.00e+00 . . . . 6468 1 83 no PDB 3E92 . "Crystal Structure Of P38 Kinase In Complex With A Biaryl Amide Inhibitor" . . . . . 99.15 371 99.14 99.14 0.00e+00 . . . . 6468 1 84 no PDB 3E93 . "Crystal Structure Of P38 Kinase In Complex With A Biaryl Amide Inhibitor" . . . . . 99.15 371 99.14 99.14 0.00e+00 . . . . 6468 1 85 no PDB 3FC1 . "Crystal Structure Of P38 Kinase Bound To Pyrimido-Pyridazinone Inhibitor" . . . . . 99.15 366 99.43 99.43 0.00e+00 . . . . 6468 1 86 no PDB 3FI4 . "P38 Kinase Crystal Structure In Complex With Ro4499" . . . . . 100.00 372 98.58 98.86 0.00e+00 . . . . 6468 1 87 no PDB 3FKL . "P38 Kinase Crystal Structure In Complex With Ro9552" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 88 no PDB 3FKN . "P38 Kinase Crystal Structure In Complex With Ro7125" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 89 no PDB 3FKO . "P38 Kinase Crystal Structure In Complex With Ro3668" . . . . . 100.00 372 98.58 98.86 0.00e+00 . . . . 6468 1 90 no PDB 3FL4 . "P38 Kinase Crystal Structure In Complex With Ro5634" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 91 no PDB 3FLN . "P38 Kinase Crystal Structure In Complex With R1487" . . . . . 100.00 372 98.58 98.86 0.00e+00 . . . . 6468 1 92 no PDB 3FLQ . "P38 Kinase Crystal Structure In Complex With 6-(2,4- Difluoro-Phenoxy)-2-((S)-2-Methanesulfonyl-1-Methyl- Ethylamino)-8-Methyl-" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 93 no PDB 3FLS . "P38 Kinase Crystal Structure In Complex With 6-(2,4- Difluoro-Phenoxy)-2-((R)-2-Methanesulfonyl-1-Methyl- Ethylamino)-8-Methyl-" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 94 no PDB 3FLW . "P38 Kinase Crystal Structure In Complex With Pamapimod" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 95 no PDB 3FLY . "P38 Kinase Crystal Structure In Complex With 6-(2,4- Difluoro-Phenoxy)-2-Isopropylamino-8-Methyl-8h-Pyrido[2,3- D]pyrimidin-7-O" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 96 no PDB 3FLZ . "P38 Kinase Crystal Structure In Complex With 8-Methyl-6-Phenoxy-2- (Tetrahydro-Pyran-4-Ylamino)-8h-Pyrido[2,3-D]pyrimidin-7-One" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 97 no PDB 3FMH . "P38 Kinase Crystal Structure In Complex With 6-(2,4-Difluoro-Phenoxy)- 8-Methyl-2-((R)-1-Methyl-2-Tetrazol-2-Yl-Ethylamino)-8h-" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 98 no PDB 3FMJ . "P38 Kinase Crystal Structure In Complex With 4-(5-Methyl-3-Phenyl- Isoxazol-4-Yl)-Pyrimidin-2-Ylamine" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 99 no PDB 3FMK . "P38 Kinase Crystal Structure In Complex With 6-(2,4-Difluoro-Phenoxy)- 8-Methyl-2-((S)-1-Methyl-2-Tetrazol-2-Yl-Ethylamino)-8h-" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 100 no PDB 3FML . "P38 Kinase Crystal Structure In Complex With Ro6224" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 101 no PDB 3FMM . "P38 Kinase Crystal Structure In Complex With Ro6226" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 102 no PDB 3FMN . "P38 Kinase Crystal Structure In Complex With Ro2530" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 103 no PDB 3FSF . "P38 Kinase Crystal Structure In Complex With 3-(2,6- Dichloro-Phenyl)-7-[4-(2-Diethylamino-Ethoxy)-Phenylamino]- 1-Methyl-3,4-D" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 104 no PDB 3FSK . "P38 Kinase Crystal Structure In Complex With Ro6257" . . . . . 100.00 372 98.86 98.86 0.00e+00 . . . . 6468 1 105 no PDB 3GC7 . "The Structure Of P38alpha In Complex With A Dihydroquinazolinone" . . . . . 99.15 366 99.14 99.14 0.00e+00 . . . . 6468 1 106 no PDB 3GCP . "Human P38 Map Kinase In Complex With Sb203580" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 107 no PDB 3GCQ . "Human P38 Map Kinase In Complex With Rl45" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 108 no PDB 3GCS . "Human P38 Map Kinase In Complex With Sorafenib" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 109 no PDB 3GCU . "Human P38 Map Kinase In Complex With Rl48" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 110 no PDB 3GCV . "Human P38 Map Kinase In Complex With Rl62" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 111 no PDB 3GFE . "Crystal Structure Of P38a Mitogen-Activated Protein Kinase In Complex With A Pyrazolopyridinone Inhibitor" . . . . . 99.15 366 99.43 99.43 0.00e+00 . . . . 6468 1 112 no PDB 3GI3 . "Crystal Structure Of A N-Phenyl-N'-Naphthylurea Analog In Complex With P38 Map Kinase" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 113 no PDB 3HA8 . "The Complex Structure Of The Map Kinase P38COMPOUND 14B" . . . . . 100.00 379 98.86 98.86 0.00e+00 . . . . 6468 1 114 no PDB 3HEC . "P38 In Complex With Imatinib" . . . . . 98.29 348 99.42 99.42 0.00e+00 . . . . 6468 1 115 no PDB 3HEG . "P38 In Complex With Sorafenib" . . . . . 98.29 348 99.42 99.42 0.00e+00 . . . . 6468 1 116 no PDB 3HL7 . "Crystal Structure Of Human P38alpha Complexed With Sd-0006" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 117 no PDB 3HLL . "Crystal Structure Of Human P38alpha Complexed With Ph-797804" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 118 no PDB 3HP2 . "Crystal Structure Of Human P38alpha Complexed With A Pyridinone Compound" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 119 no PDB 3HP5 . "Crystal Structure Of Human P38alpha Complexed With A Pyrimidopyridazinone Compound" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 120 no PDB 3HRB . "P38 Kinase Crystal Structure In Complex With Small Molecule Inhibitor" . . . . . 99.15 359 99.43 99.43 0.00e+00 . . . . 6468 1 121 no PDB 3HUB . "Human P38 Map Kinase In Complex With Scios-469" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 122 no PDB 3HUC . "Human P38 Map Kinase In Complex With Rl40" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 123 no PDB 3HV3 . "Human P38 Map Kinase In Complex With Rl49" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 124 no PDB 3HV4 . "Human P38 Map Kinase In Complex With Rl51" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 125 no PDB 3HV5 . "Human P38 Map Kinase In Complex With Rl24" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 126 no PDB 3HV6 . "Human P38 Map Kinase In Complex With Rl39" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 127 no PDB 3HV7 . "Human P38 Map Kinase In Complex With Rl38" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 128 no PDB 3HVC . "Crystal Structure Of Human P38alpha Map Kinase" . . . . . 100.00 362 98.86 98.86 0.00e+00 . . . . 6468 1 129 no PDB 3IPH . "Crystal Structure Of P38 In Complex With A Biphenylamide Inhibitor" . . . . . 99.15 360 98.85 98.85 0.00e+00 . . . . 6468 1 130 no PDB 3ITZ . "Crystal Structure Of P38a Mitogen-Activated Protein Kinase In Complex With A Pyrazolopyridazine Inhibitor" . . . . . 99.15 366 99.43 99.43 0.00e+00 . . . . 6468 1 131 no PDB 3IW5 . "Human P38 Map Kinase In Complex With An Indole Derivative" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 132 no PDB 3IW6 . "Human P38 Map Kinase In Complex With A Benzylpiperazin- Pyrrol" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 133 no PDB 3IW7 . "Human P38 Map Kinase In Complex With An Imidazo-Pyridine" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 134 no PDB 3IW8 . "Structure Of Inactive Human P38 Map Kinase In Complex With A Thiazole-Urea" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 135 no PDB 3K3I . "P38alpha Bound To Novel Dgf-Out Compound Pf-00215955" . . . . . 98.29 350 99.42 99.42 0.00e+00 . . . . 6468 1 136 no PDB 3K3J . "P38alpha Bound To Novel Dfg-Out Compound Pf-00416121" . . . . . 100.00 362 98.86 98.86 0.00e+00 . . . . 6468 1 137 no PDB 3KF7 . "Crystal Structure Of Human P38alpha Complexed With A Triazolopyrimidine Compound" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 138 no PDB 3KQ7 . "Structure Of Human P38alpha With N-[4-Methyl-3-(6-{[2-(1- Methylpyrrolidin-2-Yl)ethyl]amino}pyridine-3-Amido)phenyl]- 2-(Morpho" . . . . . 100.00 380 98.86 98.86 0.00e+00 . . . . 6468 1 139 no PDB 3L8S . "Human P38 Map Kinase In Complex With Cp-547632" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 140 no PDB 3L8X . "P38 Alpha Kinase Complexed With A Pyrazolo-Pyrimidine Based Inhibitor" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 141 no PDB 3LFA . "Human P38 Map Kinase In Complex With Dasatinib" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 142 no PDB 3LFB . "Human P38 Map Kinase In Complex With Rl98" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 143 no PDB 3LFC . "Human P38 Map Kinase In Complex With Rl99" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 144 no PDB 3LFD . "Human P38 Map Kinase In Complex With Rl113" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 145 no PDB 3LFE . "Human P38 Map Kinase In Complex With Rl116" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 146 no PDB 3LFF . "Human P38 Map Kinase In Complex With Rl166" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 147 no PDB 3LHJ . "Crystal Structure Of P38a Mitogen-Activated Protein Kinase In Complex With A Pyrazolopyridinone Inhibitor." . . . . . 99.15 366 99.43 99.43 0.00e+00 . . . . 6468 1 148 no PDB 3MGY . "Mutagenesis Of P38 Map Kinase Eshtablishes Key Roles Of Phe169 In Function And Structural Dynamics And Reveals A Novel Dfg-Out " . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 149 no PDB 3MH0 . "Mutagenesis Of P38 Map Kinase Eshtablishes Key Roles Of Phe169 In Function And Structural Dynamics And Reveals A Novel Dfg-Out " . . . . . 99.15 360 99.14 99.14 0.00e+00 . . . . 6468 1 150 no PDB 3MH1 . "Mutagenesis Of P38 Map Kinase Establishes Key Roles Of Phe169 In Function And Structural Dynamics And Reveals A Novel Dfg-Out S" . . . . . 99.15 360 99.14 99.14 0.00e+00 . . . . 6468 1 151 no PDB 3MH2 . "Mutagenesis Of P38 Map Kinase Establishes Key Roles Of Phe169 In Function And Structural Dynamics And Reveals A Novel Dfg-Out S" . . . . . 99.15 360 99.14 99.43 0.00e+00 . . . . 6468 1 152 no PDB 3MH3 . "Mutagenesis Of P38 Map Kinase Establishes Key Roles Of Phe169 In Function And Structural Dynamics And Reveals A Novel Dfg-Out S" . . . . . 99.15 360 99.14 99.14 0.00e+00 . . . . 6468 1 153 no PDB 3MPA . "Conformational Plasticity Of P38 Map Kinase Dfg Motif Mutants In Response To Inhibitor Binding" . . . . . 99.15 360 99.14 99.14 0.00e+00 . . . . 6468 1 154 no PDB 3MPT . "Crystal Structure Of P38 Kinase In Complex With A Pyrrole-2- Carboxamide Inhibitor" . . . . . 99.15 371 99.43 99.43 0.00e+00 . . . . 6468 1 155 no PDB 3MVL . "P38 Alpha Map Kinase Complexed With Pyrrolotriazine Inhibitor 7k" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 156 no PDB 3MVM . "P38 Alpha Map Kinase Complexed With Pyrrolotriazine Inhibitor 7v" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 157 no PDB 3MW1 . "P38 Kinase Crystal Structure In Complex With Small Molecule Inhibitor" . . . . . 99.15 359 99.43 99.43 0.00e+00 . . . . 6468 1 158 no PDB 3NEW . "P38-Alpha Complexed With Compound 10" . . . . . 99.15 366 99.14 99.14 0.00e+00 . . . . 6468 1 159 no PDB 3NNU . "Crystal Structure Of P38 Alpha In Complex With Dp1376" . . . . . 99.15 354 99.43 99.43 0.00e+00 . . . . 6468 1 160 no PDB 3NNV . "Crystal Structure Of P38 Alpha In Complex With Dp437" . . . . . 99.15 354 99.43 99.43 0.00e+00 . . . . 6468 1 161 no PDB 3NNW . "Crystal Structure Of P38 Alpha In Complex With Dp802" . . . . . 99.15 354 99.43 99.43 0.00e+00 . . . . 6468 1 162 no PDB 3NNX . "Crystal Structure Of Phosphorylated P38 Alpha In Complex With Dp802" . . . . . 99.15 354 99.14 99.14 0.00e+00 . . . . 6468 1 163 no PDB 3NWW . "P38 Alpha Kinase Complexed With A 2-aminothiazol-5-yl-pyrimidine Based Inhibitor" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 164 no PDB 3O8P . "Conformational Plasticity Of P38 Map Kinase Dfg Motif Mutants In Response To Inhibitor Binding" . . . . . 99.15 360 99.14 99.14 0.00e+00 . . . . 6468 1 165 no PDB 3O8T . "Conformational Plasticity Of P38 Map Kinase Dfg-Motif Mutants In Response To Inhibitor Binding" . . . . . 99.15 360 99.14 99.14 0.00e+00 . . . . 6468 1 166 no PDB 3O8U . "Conformational Plasticity Of P38 Map Kinase Dfg Motif Mutants In Response To Inhibitor Binding" . . . . . 99.15 360 99.14 99.43 0.00e+00 . . . . 6468 1 167 no PDB 3OBG . "Conformational Plasticity Of P38 Map Kinase Dfg Mutants In Response To Inhibitor Binding" . . . . . 99.15 360 99.14 99.14 0.00e+00 . . . . 6468 1 168 no PDB 3OBJ . "Conformational Plasticity Of P38 Map Kinase Dfg Mutants In Response To Inhibitor Binding" . . . . . 99.15 360 99.14 99.14 0.00e+00 . . . . 6468 1 169 no PDB 3OC1 . "Conformational Plasticity Of P38 Map Kinase Dfg Motif Mutants In Response To Inhibitor Binding" . . . . . 99.15 360 99.14 99.14 0.00e+00 . . . . 6468 1 170 no PDB 3OCG . "P38 Alpha Kinase Complexed With A 5-Amino-Pyrazole Based Inhibitor" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 171 no PDB 3OD6 . "Crystal Structure Of P38alpha Y323t Active Mutant" . . . . . 99.15 360 99.14 99.14 0.00e+00 . . . . 6468 1 172 no PDB 3ODY . "Crystal Structure Of P38alpha Y323q Active Mutant" . . . . . 99.15 360 99.14 99.14 0.00e+00 . . . . 6468 1 173 no PDB 3ODZ . "Crystal Structure Of P38alpha Y323r Active Mutant" . . . . . 99.15 360 99.14 99.14 0.00e+00 . . . . 6468 1 174 no PDB 3OEF . "Crystal Structure Of Y323f Inactive Mutant Of P38alpha Map Kinase" . . . . . 99.15 360 99.14 99.43 0.00e+00 . . . . 6468 1 175 no PDB 3P4K . "The Third Conformation Of P38a Map Kinase Observed In Phosphorylated P38a And In Solution" . . . . . 99.15 370 99.71 100.00 0.00e+00 . . . . 6468 1 176 no PDB 3P5K . "P38 Inhibitor-Bound" . . . . . 99.72 366 99.71 100.00 0.00e+00 . . . . 6468 1 177 no PDB 3P78 . "P38 Inhibitor-Bound" . . . . . 99.72 366 99.71 100.00 0.00e+00 . . . . 6468 1 178 no PDB 3P79 . "P38 Inhibitor-Bound" . . . . . 99.72 366 99.71 100.00 0.00e+00 . . . . 6468 1 179 no PDB 3P7A . "P38 Inhibitor-Bound" . . . . . 99.72 366 99.71 100.00 0.00e+00 . . . . 6468 1 180 no PDB 3P7B . "P38 Inhibitor-Bound" . . . . . 99.72 366 99.71 100.00 0.00e+00 . . . . 6468 1 181 no PDB 3P7C . "P38 Inhibitor-Bound" . . . . . 99.72 366 99.71 100.00 0.00e+00 . . . . 6468 1 182 no PDB 3PG3 . "Human P38 Map Kinase In Complex With Rl182" . . . . . 99.43 360 97.99 97.99 0.00e+00 . . . . 6468 1 183 no PDB 3PY3 . "Crystal Structure Of Phosphorylated P38alpha Map Kinase" . . . . . 100.00 380 98.86 98.86 0.00e+00 . . . . 6468 1 184 no PDB 3QUD . "Human P38 Map Kinase In Complex With 2-Amino-Phenylamino-Benzophenone" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 185 no PDB 3QUE . "Human P38 Map Kinase In Complex With Skepinone-l" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 186 no PDB 3RIN . "P38 Kinase Crystal Structure In Complex With Small Molecule Inhibitor" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 187 no PDB 3ROC . "Crystal Structure Of Human P38 Alpha Complexed With A Pyrimidinone Compound" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 188 no PDB 3S3I . "P38 Kinase Crystal Structure In Complex With Small Molecule Inhibitor" . . . . . 98.58 349 99.42 99.42 0.00e+00 . . . . 6468 1 189 no PDB 3S4Q . "P38 Alpha Kinase Complexed With A Pyrazolo-Triazine Based Inhibitor" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 190 no PDB 3TG1 . "Crystal Structure Of P38alpha In Complex With A Mapk Docking Partner" . . . . . 100.00 380 99.43 99.43 0.00e+00 . . . . 6468 1 191 no PDB 3U8W . "Crystal Structure Of P38a Mitogen-Activated Protein Kinase In Complex With A Triazolopyridazinone Inhibitor" . . . . . 99.15 366 99.43 99.43 0.00e+00 . . . . 6468 1 192 no PDB 3UVP . "Human P38 Map Kinase In Complex With A Benzamide Substituted Benzosuberone" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 193 no PDB 3UVQ . "Human P38 Map Kinase In Complex With A Dibenzosuberone Derivative" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 194 no PDB 3UVR . "Human P38 Map Kinase In Complex With Km064" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 195 no PDB 3ZS5 . "Structural Basis For Kinase Selectivity Of Three Clinical P38alpha Inhibitors" . . . . . 100.00 362 98.86 99.15 0.00e+00 . . . . 6468 1 196 no PDB 3ZSG . "X-Ray Structure Of P38alpha Bound To Tak-715" . . . . . 100.00 362 98.86 99.15 0.00e+00 . . . . 6468 1 197 no PDB 3ZSH . "X-Ray Structure Of P38alpha Bound To Scio-469" . . . . . 100.00 362 98.86 99.15 0.00e+00 . . . . 6468 1 198 no PDB 3ZSI . "X-Ray Structure Of P38alpha Bound To Vx-745" . . . . . 100.00 362 98.86 99.15 0.00e+00 . . . . 6468 1 199 no PDB 3ZYA . "Human P38 Map Kinase In Complex With 2-Amino-Phenylamino- Dibenzosuberone" . . . . . 99.15 366 99.43 99.43 0.00e+00 . . . . 6468 1 200 no PDB 4A9Y . "P38alpha Map Kinase Bound To Cmpd 8" . . . . . 99.72 365 99.14 99.43 0.00e+00 . . . . 6468 1 201 no PDB 4AA0 . "P38alpha Map Kinase Bound To Cmpd 2" . . . . . 99.72 365 99.14 99.43 0.00e+00 . . . . 6468 1 202 no PDB 4AA4 . "P38alpha Map Kinase Bound To Cmpd 22" . . . . . 99.72 365 99.14 99.43 0.00e+00 . . . . 6468 1 203 no PDB 4AA5 . "P38alpha Map Kinase Bound To Cmpd 33" . . . . . 99.72 365 98.86 99.14 0.00e+00 . . . . 6468 1 204 no PDB 4AAC . "P38alpha Map Kinase Bound To Cmpd 29" . . . . . 99.72 365 99.14 99.43 0.00e+00 . . . . 6468 1 205 no PDB 4DLI . "Human P38 Map Kinase In Complex With Rl87" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 206 no PDB 4DLJ . "Human P38 Map Kinase In Complex With Rl163" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 207 no PDB 4E5A . "The W197a Mutant Of P38a Map Kinase" . . . . . 99.15 360 99.14 99.14 0.00e+00 . . . . 6468 1 208 no PDB 4E5B . "Structure Of P38a Map Kinase Without Bog" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 209 no PDB 4E6A . "P38a-pia23 Complex" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 210 no PDB 4E6C . "P38a-perifosine Complex" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 211 no PDB 4E8A . "The Crystal Structure Of P38a Map Kinase In Complex With Pia24" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 212 no PDB 4EH2 . "Human P38 Map Kinase In Complex With Np-F1 And Rl87" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 213 no PDB 4EH3 . "Human P38 Map Kinase In Complex With Np-F2 And Rl87" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 214 no PDB 4EH4 . "Human P38 Map Kinase In Complex With Np-F3 And Rl87" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 215 no PDB 4EH5 . "Human P38 Map Kinase In Complex With Np-F4 And Rl87" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 216 no PDB 4EH6 . "Human P38 Map Kinase In Complex With Np-F5 And Rl87" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 217 no PDB 4EH7 . "Human P38 Map Kinase In Complex With Np-F6 And Rl87" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 218 no PDB 4EH8 . "Human P38 Map Kinase In Complex With Np-F7 And Rl87" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 219 no PDB 4EH9 . "Human P38 Map Kinase In Complex With Np-F11 And Rl87" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 220 no PDB 4EHV . "Human P38 Map Kinase In Complex With Np-F10 And Rl87" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 221 no PDB 4EWQ . "Human P38 Alpha Mapk In Complex With A Pyridazine Based Inhibitor" . . . . . 99.15 383 99.14 99.14 0.00e+00 . . . . 6468 1 222 no PDB 4F9W . "Human P38alpha Mapk In Complex With A Novel And Selective Small Molecule Inhibitor" . . . . . 99.15 383 99.43 99.43 0.00e+00 . . . . 6468 1 223 no PDB 4F9Y . "Human P38 Alpha Mapk In Complex With A Novel And Selective Small Molecule Inhibitor" . . . . . 99.15 383 99.43 99.43 0.00e+00 . . . . 6468 1 224 no PDB 4FA2 . "Human P38 Alpha Mitogen-activated Kinase In Complex With Sb239063" . . . . . 99.15 383 99.43 99.43 0.00e+00 . . . . 6468 1 225 no PDB 4GEO . "P38a Map Kinase Def-pocket Penta Mutant (m194a, L195a, H228a, I229a, Y258a)" . . . . . 99.72 367 97.71 97.71 0.00e+00 . . . . 6468 1 226 no PDB 4KA3 . "Structure Of Map Kinase In Complex With A Docking Peptide" . . . . . 99.15 360 100.00 100.00 0.00e+00 . . . . 6468 1 227 no PDB 4KIN . "Crystal Structure Of Mitogen-activated Protein Kinase 14 (p38-h5) Complex With 5-(2-chlorophenyl)-n-(5-(cyclopropylcarbamoyl)-2" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 228 no PDB 4KIP . "Crystal Structure Of Mitogen-activated Protein Kinase 14 (p38-h5) Complex With 2-(2-chlorophenyl)-n-(5-(cyclopropylcarbamoyl)-2" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 229 no PDB 4KIQ . "Crystal Structure Of Mitogen-activated Protein Kinase 14 (p38-h5) Complex With Ethyl 6-((5-(cyclopropylcarbamoyl)-2-methylpheny" . . . . . 99.72 366 99.14 99.43 0.00e+00 . . . . 6468 1 230 no PDB 4L8M . "Human P38 Map Kinase In Complex With A Dibenzoxepinone" . . . . . 99.43 360 99.14 99.14 0.00e+00 . . . . 6468 1 231 no PDB 4LOO . "Structural Basis Of Autoactivation Of P38 Alpha Induced By Tab1 (monoclinic Crystal Form)" . . . . . 99.15 361 100.00 100.00 0.00e+00 . . . . 6468 1 232 no PDB 4LOP . "Structural Basis Of Autoactivation Of P38 Alpha Induced By Tab1 (tetragonal Crystal Form)" . . . . . 99.15 361 100.00 100.00 0.00e+00 . . . . 6468 1 233 no PDB 4LOQ . "Structural Basis Of Autoactivation Of P38 Alpha Induced By Tab1 (tetragonal Crystal Form With Bound Sulphate)" . . . . . 99.15 361 100.00 100.00 0.00e+00 . . . . 6468 1 234 no DBJ BAB85654 . "Alternative spliced variant of p38alpha EXIP [Homo sapiens]" . . . . . 72.08 307 99.60 99.60 0.00e+00 . . . . 6468 1 235 no DBJ BAE21782 . "unnamed protein product [Mus musculus]" . . . . . 99.15 360 100.00 100.00 0.00e+00 . . . . 6468 1 236 no DBJ BAE30324 . "unnamed protein product [Mus musculus]" . . . . . 77.49 283 100.00 100.00 0.00e+00 . . . . 6468 1 237 no DBJ BAE31659 . "unnamed protein product [Mus musculus]" . . . . . 77.49 283 100.00 100.00 0.00e+00 . . . . 6468 1 238 no DBJ BAF84398 . "unnamed protein product [Homo sapiens]" . . . . . 99.15 360 99.14 99.14 0.00e+00 . . . . 6468 1 239 no EMBL CAG38743 . "MAPK14 [Homo sapiens]" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 240 no GB AAA20888 . "MAP kinase [Mus musculus]" . . . . . 99.15 360 100.00 100.00 0.00e+00 . . . . 6468 1 241 no GB AAA57456 . "CSaids binding protein [Homo sapiens]" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 242 no GB AAA74301 . "MAP kinase [Homo sapiens]" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 243 no GB AAB51285 . "p38 mitogen activated protein kinase [Rattus norvegicus]" . . . . . 99.15 360 98.85 99.43 0.00e+00 . . . . 6468 1 244 no GB AAC36131 . "p38 mitogen activated protein kinase [Canis lupus familiaris]" . . . . . 99.15 360 98.85 99.43 0.00e+00 . . . . 6468 1 245 no PRF 2111247A . "p38 mitogen-activated protein kinase" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 246 no PRF 2124426A . "Mxi2 protein" . . . . . 79.77 297 98.93 98.93 0.00e+00 . . . . 6468 1 247 no REF NP_001003206 . "mitogen-activated protein kinase 14 [Canis lupus familiaris]" . . . . . 99.15 360 98.85 99.43 0.00e+00 . . . . 6468 1 248 no REF NP_001136366 . "mitogen-activated protein kinase 14 [Ovis aries]" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 249 no REF NP_001161985 . "mitogen-activated protein kinase 14 isoform 3 [Mus musculus]" . . . . . 77.49 283 100.00 100.00 0.00e+00 . . . . 6468 1 250 no REF NP_001161986 . "mitogen-activated protein kinase 14 isoform 3 [Mus musculus]" . . . . . 77.49 283 100.00 100.00 0.00e+00 . . . . 6468 1 251 no REF NP_036081 . "mitogen-activated protein kinase 14 isoform 1 [Mus musculus]" . . . . . 99.15 360 100.00 100.00 0.00e+00 . . . . 6468 1 252 no SP O02812 . "RecName: Full=Mitogen-activated protein kinase 14; Short=MAP kinase 14; Short=MAPK 14; AltName: Full=Mitogen-activated protein " . . . . . 99.15 360 98.85 99.43 0.00e+00 . . . . 6468 1 253 no SP P47811 . "RecName: Full=Mitogen-activated protein kinase 14; Short=MAP kinase 14; Short=MAPK 14; AltName: Full=CRK1; AltName: Full=Mitoge" . . . . . 99.15 360 100.00 100.00 0.00e+00 . . . . 6468 1 254 no SP P70618 . "RecName: Full=Mitogen-activated protein kinase 14; Short=MAP kinase 14; Short=MAPK 14; AltName: Full=CRK1; AltName: Full=Mitoge" . . . . . 99.15 360 99.14 99.71 0.00e+00 . . . . 6468 1 255 no SP Q16539 . "RecName: Full=Mitogen-activated protein kinase 14; Short=MAP kinase 14; Short=MAPK 14; AltName: Full=Cytokine suppressive anti-" . . . . . 99.15 360 99.43 99.43 0.00e+00 . . . . 6468 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'mitogen-activated protein kinase p38 alpha' common 6468 1 p38 abbreviation 6468 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 -2 GLY . 6468 1 2 -1 HIS . 6468 1 3 1 ASN . 6468 1 4 2 SER . 6468 1 5 3 GLN . 6468 1 6 4 GLU . 6468 1 7 5 ARG . 6468 1 8 6 PRO . 6468 1 9 7 THR . 6468 1 10 8 PHE . 6468 1 11 9 TYR . 6468 1 12 10 ARG . 6468 1 13 11 GLN . 6468 1 14 12 GLU . 6468 1 15 13 LEU . 6468 1 16 14 ASN . 6468 1 17 15 LYS . 6468 1 18 16 THR . 6468 1 19 17 ILE . 6468 1 20 18 TRP . 6468 1 21 19 GLU . 6468 1 22 20 VAL . 6468 1 23 21 PRO . 6468 1 24 22 GLU . 6468 1 25 23 ARG . 6468 1 26 24 TYR . 6468 1 27 25 GLN . 6468 1 28 26 ASN . 6468 1 29 27 LEU . 6468 1 30 28 SER . 6468 1 31 29 PRO . 6468 1 32 30 VAL . 6468 1 33 31 GLY . 6468 1 34 32 SER . 6468 1 35 33 GLY . 6468 1 36 34 ALA . 6468 1 37 35 TYR . 6468 1 38 36 GLY . 6468 1 39 37 SER . 6468 1 40 38 VAL . 6468 1 41 39 CYS . 6468 1 42 40 ALA . 6468 1 43 41 ALA . 6468 1 44 42 PHE . 6468 1 45 43 ASP . 6468 1 46 44 THR . 6468 1 47 45 LYS . 6468 1 48 46 THR . 6468 1 49 47 GLY . 6468 1 50 48 HIS . 6468 1 51 49 ARG . 6468 1 52 50 VAL . 6468 1 53 51 ALA . 6468 1 54 52 VAL . 6468 1 55 53 LYS . 6468 1 56 54 LYS . 6468 1 57 55 LEU . 6468 1 58 56 SER . 6468 1 59 57 ARG . 6468 1 60 58 PRO . 6468 1 61 59 PHE . 6468 1 62 60 GLN . 6468 1 63 61 SER . 6468 1 64 62 ILE . 6468 1 65 63 ILE . 6468 1 66 64 HIS . 6468 1 67 65 ALA . 6468 1 68 66 LYS . 6468 1 69 67 ARG . 6468 1 70 68 THR . 6468 1 71 69 TYR . 6468 1 72 70 ARG . 6468 1 73 71 GLU . 6468 1 74 72 LEU . 6468 1 75 73 ARG . 6468 1 76 74 LEU . 6468 1 77 75 LEU . 6468 1 78 76 LYS . 6468 1 79 77 HIS . 6468 1 80 78 MET . 6468 1 81 79 LYS . 6468 1 82 80 HIS . 6468 1 83 81 GLU . 6468 1 84 82 ASN . 6468 1 85 83 VAL . 6468 1 86 84 ILE . 6468 1 87 85 GLY . 6468 1 88 86 LEU . 6468 1 89 87 LEU . 6468 1 90 88 ASP . 6468 1 91 89 VAL . 6468 1 92 90 PHE . 6468 1 93 91 THR . 6468 1 94 92 PRO . 6468 1 95 93 ALA . 6468 1 96 94 ARG . 6468 1 97 95 SER . 6468 1 98 96 LEU . 6468 1 99 97 GLU . 6468 1 100 98 GLU . 6468 1 101 99 PHE . 6468 1 102 100 ASN . 6468 1 103 101 ASP . 6468 1 104 102 VAL . 6468 1 105 103 TYR . 6468 1 106 104 LEU . 6468 1 107 105 VAL . 6468 1 108 106 THR . 6468 1 109 107 HIS . 6468 1 110 108 LEU . 6468 1 111 109 MET . 6468 1 112 110 GLY . 6468 1 113 111 ALA . 6468 1 114 112 ASP . 6468 1 115 113 LEU . 6468 1 116 114 ASN . 6468 1 117 115 ASN . 6468 1 118 116 ILE . 6468 1 119 117 VAL . 6468 1 120 118 LYS . 6468 1 121 119 CYS . 6468 1 122 120 GLN . 6468 1 123 121 LYS . 6468 1 124 122 LEU . 6468 1 125 123 THR . 6468 1 126 124 ASP . 6468 1 127 125 ASP . 6468 1 128 126 HIS . 6468 1 129 127 VAL . 6468 1 130 128 GLN . 6468 1 131 129 PHE . 6468 1 132 130 LEU . 6468 1 133 131 ILE . 6468 1 134 132 TYR . 6468 1 135 133 GLN . 6468 1 136 134 ILE . 6468 1 137 135 LEU . 6468 1 138 136 ARG . 6468 1 139 137 GLY . 6468 1 140 138 LEU . 6468 1 141 139 LYS . 6468 1 142 140 TYR . 6468 1 143 141 ILE . 6468 1 144 142 HIS . 6468 1 145 143 SER . 6468 1 146 144 ALA . 6468 1 147 145 ASP . 6468 1 148 146 ILE . 6468 1 149 147 ILE . 6468 1 150 148 HIS . 6468 1 151 149 ARG . 6468 1 152 150 ASP . 6468 1 153 151 LEU . 6468 1 154 152 LYS . 6468 1 155 153 PRO . 6468 1 156 154 SER . 6468 1 157 155 ASN . 6468 1 158 156 LEU . 6468 1 159 157 ALA . 6468 1 160 158 VAL . 6468 1 161 159 ASN . 6468 1 162 160 GLU . 6468 1 163 161 ASP . 6468 1 164 162 CYS . 6468 1 165 163 GLU . 6468 1 166 164 LEU . 6468 1 167 165 LYS . 6468 1 168 166 ILE . 6468 1 169 167 LEU . 6468 1 170 168 ASP . 6468 1 171 169 PHE . 6468 1 172 170 GLY . 6468 1 173 171 LEU . 6468 1 174 172 ALA . 6468 1 175 173 ARG . 6468 1 176 174 HIS . 6468 1 177 175 THR . 6468 1 178 176 ASP . 6468 1 179 177 ASP . 6468 1 180 178 GLU . 6468 1 181 179 MET . 6468 1 182 180 THR . 6468 1 183 181 GLY . 6468 1 184 182 TYR . 6468 1 185 183 VAL . 6468 1 186 184 ALA . 6468 1 187 185 THR . 6468 1 188 186 ARG . 6468 1 189 187 TRP . 6468 1 190 188 TYR . 6468 1 191 189 ARG . 6468 1 192 190 ALA . 6468 1 193 191 PRO . 6468 1 194 192 GLU . 6468 1 195 193 ILE . 6468 1 196 194 MET . 6468 1 197 195 LEU . 6468 1 198 196 ASN . 6468 1 199 197 TRP . 6468 1 200 198 MET . 6468 1 201 199 HIS . 6468 1 202 200 TYR . 6468 1 203 201 ASN . 6468 1 204 202 GLN . 6468 1 205 203 THR . 6468 1 206 204 VAL . 6468 1 207 205 ASP . 6468 1 208 206 ILE . 6468 1 209 207 TRP . 6468 1 210 208 SER . 6468 1 211 209 VAL . 6468 1 212 210 GLY . 6468 1 213 211 CYS . 6468 1 214 212 ILE . 6468 1 215 213 MET . 6468 1 216 214 ALA . 6468 1 217 215 GLU . 6468 1 218 216 LEU . 6468 1 219 217 LEU . 6468 1 220 218 THR . 6468 1 221 219 GLY . 6468 1 222 220 ARG . 6468 1 223 221 THR . 6468 1 224 222 LEU . 6468 1 225 223 PHE . 6468 1 226 224 PRO . 6468 1 227 225 GLY . 6468 1 228 226 THR . 6468 1 229 227 ASP . 6468 1 230 228 HIS . 6468 1 231 229 ILE . 6468 1 232 230 ASP . 6468 1 233 231 GLN . 6468 1 234 232 LEU . 6468 1 235 233 LYS . 6468 1 236 234 LEU . 6468 1 237 235 ILE . 6468 1 238 236 LEU . 6468 1 239 237 ARG . 6468 1 240 238 LEU . 6468 1 241 239 VAL . 6468 1 242 240 GLY . 6468 1 243 241 THR . 6468 1 244 242 PRO . 6468 1 245 243 GLY . 6468 1 246 244 ALA . 6468 1 247 245 GLU . 6468 1 248 246 LEU . 6468 1 249 247 LEU . 6468 1 250 248 LYS . 6468 1 251 249 LYS . 6468 1 252 250 ILE . 6468 1 253 251 SER . 6468 1 254 252 SER . 6468 1 255 253 GLU . 6468 1 256 254 SER . 6468 1 257 255 ALA . 6468 1 258 256 ARG . 6468 1 259 257 ASN . 6468 1 260 258 TYR . 6468 1 261 259 ILE . 6468 1 262 260 GLN . 6468 1 263 261 SER . 6468 1 264 262 LEU . 6468 1 265 263 ALA . 6468 1 266 264 GLN . 6468 1 267 265 MET . 6468 1 268 266 PRO . 6468 1 269 267 LYS . 6468 1 270 268 MET . 6468 1 271 269 ASN . 6468 1 272 270 PHE . 6468 1 273 271 ALA . 6468 1 274 272 ASN . 6468 1 275 273 VAL . 6468 1 276 274 PHE . 6468 1 277 275 ILE . 6468 1 278 276 GLY . 6468 1 279 277 ALA . 6468 1 280 278 ASN . 6468 1 281 279 PRO . 6468 1 282 280 LEU . 6468 1 283 281 ALA . 6468 1 284 282 VAL . 6468 1 285 283 ASP . 6468 1 286 284 LEU . 6468 1 287 285 LEU . 6468 1 288 286 GLU . 6468 1 289 287 LYS . 6468 1 290 288 MET . 6468 1 291 289 LEU . 6468 1 292 290 VAL . 6468 1 293 291 LEU . 6468 1 294 292 ASP . 6468 1 295 293 SER . 6468 1 296 294 ASP . 6468 1 297 295 LYS . 6468 1 298 296 ARG . 6468 1 299 297 ILE . 6468 1 300 298 THR . 6468 1 301 299 ALA . 6468 1 302 300 ALA . 6468 1 303 301 GLN . 6468 1 304 302 ALA . 6468 1 305 303 LEU . 6468 1 306 304 ALA . 6468 1 307 305 HIS . 6468 1 308 306 ALA . 6468 1 309 307 TYR . 6468 1 310 308 PHE . 6468 1 311 309 ALA . 6468 1 312 310 GLN . 6468 1 313 311 TYR . 6468 1 314 312 HIS . 6468 1 315 313 ASP . 6468 1 316 314 PRO . 6468 1 317 315 ASP . 6468 1 318 316 ASP . 6468 1 319 317 GLU . 6468 1 320 318 PRO . 6468 1 321 319 VAL . 6468 1 322 320 ALA . 6468 1 323 321 ASP . 6468 1 324 322 PRO . 6468 1 325 323 TYR . 6468 1 326 324 ASP . 6468 1 327 325 GLN . 6468 1 328 326 SER . 6468 1 329 327 PHE . 6468 1 330 328 GLU . 6468 1 331 329 SER . 6468 1 332 330 ARG . 6468 1 333 331 ASP . 6468 1 334 332 LEU . 6468 1 335 333 LEU . 6468 1 336 334 ILE . 6468 1 337 335 ASP . 6468 1 338 336 GLU . 6468 1 339 337 TRP . 6468 1 340 338 LYS . 6468 1 341 339 SER . 6468 1 342 340 LEU . 6468 1 343 341 THR . 6468 1 344 342 TYR . 6468 1 345 343 ASP . 6468 1 346 344 GLU . 6468 1 347 345 VAL . 6468 1 348 346 ILE . 6468 1 349 347 SER . 6468 1 350 348 PHE . 6468 1 351 349 VAL . 6468 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6468 1 . HIS 2 2 6468 1 . ASN 3 3 6468 1 . SER 4 4 6468 1 . GLN 5 5 6468 1 . GLU 6 6 6468 1 . ARG 7 7 6468 1 . PRO 8 8 6468 1 . THR 9 9 6468 1 . PHE 10 10 6468 1 . TYR 11 11 6468 1 . ARG 12 12 6468 1 . GLN 13 13 6468 1 . GLU 14 14 6468 1 . LEU 15 15 6468 1 . ASN 16 16 6468 1 . LYS 17 17 6468 1 . THR 18 18 6468 1 . ILE 19 19 6468 1 . TRP 20 20 6468 1 . GLU 21 21 6468 1 . VAL 22 22 6468 1 . PRO 23 23 6468 1 . GLU 24 24 6468 1 . ARG 25 25 6468 1 . TYR 26 26 6468 1 . GLN 27 27 6468 1 . ASN 28 28 6468 1 . LEU 29 29 6468 1 . SER 30 30 6468 1 . PRO 31 31 6468 1 . VAL 32 32 6468 1 . GLY 33 33 6468 1 . SER 34 34 6468 1 . GLY 35 35 6468 1 . ALA 36 36 6468 1 . TYR 37 37 6468 1 . GLY 38 38 6468 1 . SER 39 39 6468 1 . VAL 40 40 6468 1 . CYS 41 41 6468 1 . ALA 42 42 6468 1 . ALA 43 43 6468 1 . PHE 44 44 6468 1 . ASP 45 45 6468 1 . THR 46 46 6468 1 . LYS 47 47 6468 1 . THR 48 48 6468 1 . GLY 49 49 6468 1 . HIS 50 50 6468 1 . ARG 51 51 6468 1 . VAL 52 52 6468 1 . ALA 53 53 6468 1 . VAL 54 54 6468 1 . LYS 55 55 6468 1 . LYS 56 56 6468 1 . LEU 57 57 6468 1 . SER 58 58 6468 1 . ARG 59 59 6468 1 . PRO 60 60 6468 1 . PHE 61 61 6468 1 . GLN 62 62 6468 1 . SER 63 63 6468 1 . ILE 64 64 6468 1 . ILE 65 65 6468 1 . HIS 66 66 6468 1 . ALA 67 67 6468 1 . LYS 68 68 6468 1 . ARG 69 69 6468 1 . THR 70 70 6468 1 . TYR 71 71 6468 1 . ARG 72 72 6468 1 . GLU 73 73 6468 1 . LEU 74 74 6468 1 . ARG 75 75 6468 1 . LEU 76 76 6468 1 . LEU 77 77 6468 1 . LYS 78 78 6468 1 . HIS 79 79 6468 1 . MET 80 80 6468 1 . LYS 81 81 6468 1 . HIS 82 82 6468 1 . GLU 83 83 6468 1 . ASN 84 84 6468 1 . VAL 85 85 6468 1 . ILE 86 86 6468 1 . GLY 87 87 6468 1 . LEU 88 88 6468 1 . LEU 89 89 6468 1 . ASP 90 90 6468 1 . VAL 91 91 6468 1 . PHE 92 92 6468 1 . THR 93 93 6468 1 . PRO 94 94 6468 1 . ALA 95 95 6468 1 . ARG 96 96 6468 1 . SER 97 97 6468 1 . LEU 98 98 6468 1 . GLU 99 99 6468 1 . GLU 100 100 6468 1 . PHE 101 101 6468 1 . ASN 102 102 6468 1 . ASP 103 103 6468 1 . VAL 104 104 6468 1 . TYR 105 105 6468 1 . LEU 106 106 6468 1 . VAL 107 107 6468 1 . THR 108 108 6468 1 . HIS 109 109 6468 1 . LEU 110 110 6468 1 . MET 111 111 6468 1 . GLY 112 112 6468 1 . ALA 113 113 6468 1 . ASP 114 114 6468 1 . LEU 115 115 6468 1 . ASN 116 116 6468 1 . ASN 117 117 6468 1 . ILE 118 118 6468 1 . VAL 119 119 6468 1 . LYS 120 120 6468 1 . CYS 121 121 6468 1 . GLN 122 122 6468 1 . LYS 123 123 6468 1 . LEU 124 124 6468 1 . THR 125 125 6468 1 . ASP 126 126 6468 1 . ASP 127 127 6468 1 . HIS 128 128 6468 1 . VAL 129 129 6468 1 . GLN 130 130 6468 1 . PHE 131 131 6468 1 . LEU 132 132 6468 1 . ILE 133 133 6468 1 . TYR 134 134 6468 1 . GLN 135 135 6468 1 . ILE 136 136 6468 1 . LEU 137 137 6468 1 . ARG 138 138 6468 1 . GLY 139 139 6468 1 . LEU 140 140 6468 1 . LYS 141 141 6468 1 . TYR 142 142 6468 1 . ILE 143 143 6468 1 . HIS 144 144 6468 1 . SER 145 145 6468 1 . ALA 146 146 6468 1 . ASP 147 147 6468 1 . ILE 148 148 6468 1 . ILE 149 149 6468 1 . HIS 150 150 6468 1 . ARG 151 151 6468 1 . ASP 152 152 6468 1 . LEU 153 153 6468 1 . LYS 154 154 6468 1 . PRO 155 155 6468 1 . SER 156 156 6468 1 . ASN 157 157 6468 1 . LEU 158 158 6468 1 . ALA 159 159 6468 1 . VAL 160 160 6468 1 . ASN 161 161 6468 1 . GLU 162 162 6468 1 . ASP 163 163 6468 1 . CYS 164 164 6468 1 . GLU 165 165 6468 1 . LEU 166 166 6468 1 . LYS 167 167 6468 1 . ILE 168 168 6468 1 . LEU 169 169 6468 1 . ASP 170 170 6468 1 . PHE 171 171 6468 1 . GLY 172 172 6468 1 . LEU 173 173 6468 1 . ALA 174 174 6468 1 . ARG 175 175 6468 1 . HIS 176 176 6468 1 . THR 177 177 6468 1 . ASP 178 178 6468 1 . ASP 179 179 6468 1 . GLU 180 180 6468 1 . MET 181 181 6468 1 . THR 182 182 6468 1 . GLY 183 183 6468 1 . TYR 184 184 6468 1 . VAL 185 185 6468 1 . ALA 186 186 6468 1 . THR 187 187 6468 1 . ARG 188 188 6468 1 . TRP 189 189 6468 1 . TYR 190 190 6468 1 . ARG 191 191 6468 1 . ALA 192 192 6468 1 . PRO 193 193 6468 1 . GLU 194 194 6468 1 . ILE 195 195 6468 1 . MET 196 196 6468 1 . LEU 197 197 6468 1 . ASN 198 198 6468 1 . TRP 199 199 6468 1 . MET 200 200 6468 1 . HIS 201 201 6468 1 . TYR 202 202 6468 1 . ASN 203 203 6468 1 . GLN 204 204 6468 1 . THR 205 205 6468 1 . VAL 206 206 6468 1 . ASP 207 207 6468 1 . ILE 208 208 6468 1 . TRP 209 209 6468 1 . SER 210 210 6468 1 . VAL 211 211 6468 1 . GLY 212 212 6468 1 . CYS 213 213 6468 1 . ILE 214 214 6468 1 . MET 215 215 6468 1 . ALA 216 216 6468 1 . GLU 217 217 6468 1 . LEU 218 218 6468 1 . LEU 219 219 6468 1 . THR 220 220 6468 1 . GLY 221 221 6468 1 . ARG 222 222 6468 1 . THR 223 223 6468 1 . LEU 224 224 6468 1 . PHE 225 225 6468 1 . PRO 226 226 6468 1 . GLY 227 227 6468 1 . THR 228 228 6468 1 . ASP 229 229 6468 1 . HIS 230 230 6468 1 . ILE 231 231 6468 1 . ASP 232 232 6468 1 . GLN 233 233 6468 1 . LEU 234 234 6468 1 . LYS 235 235 6468 1 . LEU 236 236 6468 1 . ILE 237 237 6468 1 . LEU 238 238 6468 1 . ARG 239 239 6468 1 . LEU 240 240 6468 1 . VAL 241 241 6468 1 . GLY 242 242 6468 1 . THR 243 243 6468 1 . PRO 244 244 6468 1 . GLY 245 245 6468 1 . ALA 246 246 6468 1 . GLU 247 247 6468 1 . LEU 248 248 6468 1 . LEU 249 249 6468 1 . LYS 250 250 6468 1 . LYS 251 251 6468 1 . ILE 252 252 6468 1 . SER 253 253 6468 1 . SER 254 254 6468 1 . GLU 255 255 6468 1 . SER 256 256 6468 1 . ALA 257 257 6468 1 . ARG 258 258 6468 1 . ASN 259 259 6468 1 . TYR 260 260 6468 1 . ILE 261 261 6468 1 . GLN 262 262 6468 1 . SER 263 263 6468 1 . LEU 264 264 6468 1 . ALA 265 265 6468 1 . GLN 266 266 6468 1 . MET 267 267 6468 1 . PRO 268 268 6468 1 . LYS 269 269 6468 1 . MET 270 270 6468 1 . ASN 271 271 6468 1 . PHE 272 272 6468 1 . ALA 273 273 6468 1 . ASN 274 274 6468 1 . VAL 275 275 6468 1 . PHE 276 276 6468 1 . ILE 277 277 6468 1 . GLY 278 278 6468 1 . ALA 279 279 6468 1 . ASN 280 280 6468 1 . PRO 281 281 6468 1 . LEU 282 282 6468 1 . ALA 283 283 6468 1 . VAL 284 284 6468 1 . ASP 285 285 6468 1 . LEU 286 286 6468 1 . LEU 287 287 6468 1 . GLU 288 288 6468 1 . LYS 289 289 6468 1 . MET 290 290 6468 1 . LEU 291 291 6468 1 . VAL 292 292 6468 1 . LEU 293 293 6468 1 . ASP 294 294 6468 1 . SER 295 295 6468 1 . ASP 296 296 6468 1 . LYS 297 297 6468 1 . ARG 298 298 6468 1 . ILE 299 299 6468 1 . THR 300 300 6468 1 . ALA 301 301 6468 1 . ALA 302 302 6468 1 . GLN 303 303 6468 1 . ALA 304 304 6468 1 . LEU 305 305 6468 1 . ALA 306 306 6468 1 . HIS 307 307 6468 1 . ALA 308 308 6468 1 . TYR 309 309 6468 1 . PHE 310 310 6468 1 . ALA 311 311 6468 1 . GLN 312 312 6468 1 . TYR 313 313 6468 1 . HIS 314 314 6468 1 . ASP 315 315 6468 1 . PRO 316 316 6468 1 . ASP 317 317 6468 1 . ASP 318 318 6468 1 . GLU 319 319 6468 1 . PRO 320 320 6468 1 . VAL 321 321 6468 1 . ALA 322 322 6468 1 . ASP 323 323 6468 1 . PRO 324 324 6468 1 . TYR 325 325 6468 1 . ASP 326 326 6468 1 . GLN 327 327 6468 1 . SER 328 328 6468 1 . PHE 329 329 6468 1 . GLU 330 330 6468 1 . SER 331 331 6468 1 . ARG 332 332 6468 1 . ASP 333 333 6468 1 . LEU 334 334 6468 1 . LEU 335 335 6468 1 . ILE 336 336 6468 1 . ASP 337 337 6468 1 . GLU 338 338 6468 1 . TRP 339 339 6468 1 . LYS 340 340 6468 1 . SER 341 341 6468 1 . LEU 342 342 6468 1 . THR 343 343 6468 1 . TYR 344 344 6468 1 . ASP 345 345 6468 1 . GLU 346 346 6468 1 . VAL 347 347 6468 1 . ILE 348 348 6468 1 . SER 349 349 6468 1 . PHE 350 350 6468 1 . VAL 351 351 6468 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 6468 _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 $p38 . 10090 . . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6468 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 6468 _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 $p38 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6468 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_triple_labeled _Sample.Sf_category sample _Sample.Sf_framecode triple_labeled _Sample.Entry_ID 6468 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'mitogen-activated protein kinase p38 alpha' '[U-2H; U-13C; U-15N]' . . 1 $p38 . . 0.7 . . mM . . . . 6468 1 2 NaCl . . . . . . . 150 . . mM . . . . 6468 1 3 Hepes*HCl . . . . . . . 50 . . mM . . . . 6468 1 4 DTT . . . . . . . 5 . . mM . . . . 6468 1 5 TSP . . . . . . . 1 . . mM . . . . 6468 1 stop_ save_ save_selectively_labeled _Sample.Sf_category sample _Sample.Sf_framecode selectively_labeled _Sample.Entry_ID 6468 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'mitogen-activated protein kinase p38 alpha' 'selectively labeled' . . 1 $p38 . . 0.2 . . mM . . . . 6468 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6468 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 pH 6468 1 temperature 298 0.1 K 6468 1 'ionic strength' 0.3 . M 6468 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6468 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details 'C. Bartels et al., J. Biomol. NMR 5, 1-10 (1995)' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6468 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6468 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6468 _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 NMR_spectrometer Bruker DRX . 800 . . . 6468 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 6468 _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 'Deuterium-decoupled TROSY variants of HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6468 1 2 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6468 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6468 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6468 1 5 HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6468 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6468 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'Deuterium-decoupled TROSY variants of HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6468 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6468 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6468 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6468 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6468 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6468 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6468 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6468 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6468 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $triple_labeled . 6468 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 8 8 PRO CA C 13 61.769 0.1 . 1 . . . . . . . . 6468 1 2 . 1 1 8 8 PRO CB C 13 31.237 0.1 . 1 . . . . . . . . 6468 1 3 . 1 1 8 8 PRO C C 13 175.558 0.1 . 1 . . . . . . . . 6468 1 4 . 1 1 9 9 THR N N 15 116.925 0.1 . 1 . . . . . . . . 6468 1 5 . 1 1 9 9 THR H H 1 8.479 0.02 . 1 . . . . . . . . 6468 1 6 . 1 1 9 9 THR CA C 13 62.173 0.1 . 1 . . . . . . . . 6468 1 7 . 1 1 9 9 THR CB C 13 68.754 0.1 . 1 . . . . . . . . 6468 1 8 . 1 1 9 9 THR C C 13 173.716 0.1 . 1 . . . . . . . . 6468 1 9 . 1 1 10 10 PHE N N 15 126.754 0.1 . 1 . . . . . . . . 6468 1 10 . 1 1 10 10 PHE H H 1 8.776 0.02 . 1 . . . . . . . . 6468 1 11 . 1 1 10 10 PHE CA C 13 56.304 0.1 . 1 . . . . . . . . 6468 1 12 . 1 1 10 10 PHE CB C 13 40.97 0.1 . 1 . . . . . . . . 6468 1 13 . 1 1 10 10 PHE C C 13 175.722 0.1 . 1 . . . . . . . . 6468 1 14 . 1 1 11 11 TYR N N 15 119.578 0.1 . 1 . . . . . . . . 6468 1 15 . 1 1 11 11 TYR H H 1 9.138 0.02 . 1 . . . . . . . . 6468 1 16 . 1 1 11 11 TYR CA C 13 55.391 0.1 . 1 . . . . . . . . 6468 1 17 . 1 1 11 11 TYR CB C 13 40.106 0.1 . 1 . . . . . . . . 6468 1 18 . 1 1 11 11 TYR C C 13 172.385 0.1 . 1 . . . . . . . . 6468 1 19 . 1 1 12 12 ARG N N 15 119.476 0.1 . 1 . . . . . . . . 6468 1 20 . 1 1 12 12 ARG H H 1 8.436 0.02 . 1 . . . . . . . . 6468 1 21 . 1 1 12 12 ARG CA C 13 53.957 0.1 . 1 . . . . . . . . 6468 1 22 . 1 1 12 12 ARG CB C 13 32.729 0.1 . 1 . . . . . . . . 6468 1 23 . 1 1 12 12 ARG C C 13 175.908 0.1 . 1 . . . . . . . . 6468 1 24 . 1 1 13 13 GLN N N 15 122.07 0.1 . 1 . . . . . . . . 6468 1 25 . 1 1 13 13 GLN H H 1 8.985 0.02 . 1 . . . . . . . . 6468 1 26 . 1 1 13 13 GLN CA C 13 54.283 0.1 . 1 . . . . . . . . 6468 1 27 . 1 1 13 13 GLN CB C 13 32.258 0.1 . 1 . . . . . . . . 6468 1 28 . 1 1 13 13 GLN C C 13 172.815 0.1 . 1 . . . . . . . . 6468 1 29 . 1 1 14 14 GLU N N 15 125.474 0.1 . 1 . . . . . . . . 6468 1 30 . 1 1 14 14 GLU H H 1 8.847 0.02 . 1 . . . . . . . . 6468 1 31 . 1 1 14 14 GLU CA C 13 54.805 0.1 . 1 . . . . . . . . 6468 1 32 . 1 1 14 14 GLU CB C 13 29.589 0.1 . 1 . . . . . . . . 6468 1 33 . 1 1 14 14 GLU C C 13 175.582 0.1 . 1 . . . . . . . . 6468 1 34 . 1 1 15 15 LEU N N 15 128.053 0.1 . 1 . . . . . . . . 6468 1 35 . 1 1 15 15 LEU H H 1 8.999 0.02 . 1 . . . . . . . . 6468 1 36 . 1 1 15 15 LEU CA C 13 53.37 0.1 . 1 . . . . . . . . 6468 1 37 . 1 1 15 15 LEU CB C 13 43.324 0.1 . 1 . . . . . . . . 6468 1 38 . 1 1 15 15 LEU C C 13 175.444 0.1 . 1 . . . . . . . . 6468 1 39 . 1 1 16 16 ASN CA C 13 53.841 0.1 . 1 . . . . . . . . 6468 1 40 . 1 1 16 16 ASN CB C 13 36.339 0.1 . 1 . . . . . . . . 6468 1 41 . 1 1 16 16 ASN C C 13 174.952 0.1 . 1 . . . . . . . . 6468 1 42 . 1 1 17 17 LYS N N 15 109.536 0.1 . 1 . . . . . . . . 6468 1 43 . 1 1 17 17 LYS H H 1 8.884 0.02 . 1 . . . . . . . . 6468 1 44 . 1 1 17 17 LYS CA C 13 56.956 0.1 . 1 . . . . . . . . 6468 1 45 . 1 1 17 17 LYS CB C 13 28.647 0.1 . 1 . . . . . . . . 6468 1 46 . 1 1 17 17 LYS C C 13 175.349 0.1 . 1 . . . . . . . . 6468 1 47 . 1 1 18 18 THR N N 15 115.299 0.1 . 1 . . . . . . . . 6468 1 48 . 1 1 18 18 THR H H 1 7.853 0.02 . 1 . . . . . . . . 6468 1 49 . 1 1 18 18 THR CA C 13 60.608 0.1 . 1 . . . . . . . . 6468 1 50 . 1 1 18 18 THR CB C 13 70.638 0.1 . 1 . . . . . . . . 6468 1 51 . 1 1 18 18 THR C C 13 172.387 0.1 . 1 . . . . . . . . 6468 1 52 . 1 1 19 19 ILE N N 15 125.144 0.1 . 1 . . . . . . . . 6468 1 53 . 1 1 19 19 ILE H H 1 8.614 0.02 . 1 . . . . . . . . 6468 1 54 . 1 1 19 19 ILE CA C 13 59.63 0.1 . 1 . . . . . . . . 6468 1 55 . 1 1 19 19 ILE CB C 13 35.711 0.1 . 1 . . . . . . . . 6468 1 56 . 1 1 19 19 ILE C C 13 175.489 0.1 . 1 . . . . . . . . 6468 1 57 . 1 1 20 20 TRP N N 15 130.528 0.1 . 1 . . . . . . . . 6468 1 58 . 1 1 20 20 TRP H H 1 9.293 0.02 . 1 . . . . . . . . 6468 1 59 . 1 1 20 20 TRP CA C 13 56.37 0.1 . 1 . . . . . . . . 6468 1 60 . 1 1 20 20 TRP CB C 13 28.333 0.1 . 1 . . . . . . . . 6468 1 61 . 1 1 20 20 TRP C C 13 174.532 0.1 . 1 . . . . . . . . 6468 1 62 . 1 1 21 21 GLU N N 15 127.643 0.1 . 1 . . . . . . . . 6468 1 63 . 1 1 21 21 GLU H H 1 8.3 0.02 . 1 . . . . . . . . 6468 1 64 . 1 1 21 21 GLU CA C 13 54.283 0.1 . 1 . . . . . . . . 6468 1 65 . 1 1 21 21 GLU CB C 13 30.452 0.1 . 1 . . . . . . . . 6468 1 66 . 1 1 21 21 GLU C C 13 173.04 0.1 . 1 . . . . . . . . 6468 1 67 . 1 1 22 22 VAL N N 15 111.964 0.1 . 1 . . . . . . . . 6468 1 68 . 1 1 22 22 VAL H H 1 7.644 0.02 . 1 . . . . . . . . 6468 1 69 . 1 1 22 22 VAL CA C 13 55.652 0.1 . 1 . . . . . . . . 6468 1 70 . 1 1 22 22 VAL CB C 13 32.964 0.1 . 1 . . . . . . . . 6468 1 71 . 1 1 23 23 PRO CA C 13 60.984 0.1 . 1 . . . . . . . . 6468 1 72 . 1 1 23 23 PRO CB C 13 31.237 0.1 . 1 . . . . . . . . 6468 1 73 . 1 1 24 24 GLU N N 15 118.485 0.1 . 1 . . . . . . . . 6468 1 74 . 1 1 24 24 GLU H H 1 8.128 0.02 . 1 . . . . . . . . 6468 1 75 . 1 1 24 24 GLU CA C 13 57.82 0.1 . 1 . . . . . . . . 6468 1 76 . 1 1 24 24 GLU CB C 13 28.647 0.1 . 1 . . . . . . . . 6468 1 77 . 1 1 25 25 ARG N N 15 117.114 0.1 . 1 . . . . . . . . 6468 1 78 . 1 1 25 25 ARG H H 1 7.433 0.02 . 1 . . . . . . . . 6468 1 79 . 1 1 25 25 ARG CA C 13 57.217 0.1 . 1 . . . . . . . . 6468 1 80 . 1 1 25 25 ARG CB C 13 29.746 0.1 . 1 . . . . . . . . 6468 1 81 . 1 1 25 25 ARG C C 13 174.304 0.1 . 1 . . . . . . . . 6468 1 82 . 1 1 26 26 TYR N N 15 116.889 0.1 . 1 . . . . . . . . 6468 1 83 . 1 1 26 26 TYR H H 1 7.81 0.02 . 1 . . . . . . . . 6468 1 84 . 1 1 26 26 TYR CA C 13 56.591 0.1 . 1 . . . . . . . . 6468 1 85 . 1 1 26 26 TYR CB C 13 36.967 0.1 . 1 . . . . . . . . 6468 1 86 . 1 1 26 26 TYR C C 13 174.346 0.1 . 1 . . . . . . . . 6468 1 87 . 1 1 27 27 GLN N N 15 121.815 0.1 . 1 . . . . . . . . 6468 1 88 . 1 1 27 27 GLN H H 1 9.13 0.02 . 1 . . . . . . . . 6468 1 89 . 1 1 27 27 GLN CA C 13 52.914 0.1 . 1 . . . . . . . . 6468 1 90 . 1 1 27 27 GLN CB C 13 32.493 0.1 . 1 . . . . . . . . 6468 1 91 . 1 1 27 27 GLN C C 13 174.718 0.1 . 1 . . . . . . . . 6468 1 92 . 1 1 28 28 ASN N N 15 117.001 0.1 . 1 . . . . . . . . 6468 1 93 . 1 1 28 28 ASN H H 1 8.84 0.02 . 1 . . . . . . . . 6468 1 94 . 1 1 28 28 ASN CA C 13 53.174 0.1 . 1 . . . . . . . . 6468 1 95 . 1 1 28 28 ASN CB C 13 35.947 0.1 . 1 . . . . . . . . 6468 1 96 . 1 1 28 28 ASN C C 13 174.066 0.1 . 1 . . . . . . . . 6468 1 97 . 1 1 29 29 LEU N N 15 119.747 0.1 . 1 . . . . . . . . 6468 1 98 . 1 1 29 29 LEU H H 1 8.567 0.02 . 1 . . . . . . . . 6468 1 99 . 1 1 29 29 LEU CA C 13 56.37 0.1 . 1 . . . . . . . . 6468 1 100 . 1 1 29 29 LEU CB C 13 40.42 0.1 . 1 . . . . . . . . 6468 1 101 . 1 1 29 29 LEU C C 13 178.986 0.1 . 1 . . . . . . . . 6468 1 102 . 1 1 30 30 SER N N 15 115.523 0.1 . 1 . . . . . . . . 6468 1 103 . 1 1 30 30 SER H H 1 8.745 0.02 . 1 . . . . . . . . 6468 1 104 . 1 1 30 30 SER CA C 13 54.087 0.1 . 1 . . . . . . . . 6468 1 105 . 1 1 30 30 SER CB C 13 63.966 0.1 . 1 . . . . . . . . 6468 1 106 . 1 1 30 30 SER C C 13 171.823 0.1 . 1 . . . . . . . . 6468 1 107 . 1 1 31 31 PRO CA C 13 63.731 0.1 . 1 . . . . . . . . 6468 1 108 . 1 1 31 31 PRO CB C 13 31.394 0.1 . 1 . . . . . . . . 6468 1 109 . 1 1 31 31 PRO C C 13 176.923 0.1 . 1 . . . . . . . . 6468 1 110 . 1 1 32 32 VAL N N 15 120.389 0.1 . 1 . . . . . . . . 6468 1 111 . 1 1 32 32 VAL H H 1 8.646 0.02 . 1 . . . . . . . . 6468 1 112 . 1 1 32 32 VAL CA C 13 61.325 0.1 . 1 . . . . . . . . 6468 1 113 . 1 1 32 32 VAL CB C 13 32.886 0.1 . 1 . . . . . . . . 6468 1 114 . 1 1 32 32 VAL C C 13 175.932 0.1 . 1 . . . . . . . . 6468 1 115 . 1 1 33 33 GLY N N 15 107.936 0.1 . 1 . . . . . . . . 6468 1 116 . 1 1 33 33 GLY H H 1 7.79 0.02 . 1 . . . . . . . . 6468 1 117 . 1 1 33 33 GLY CA C 13 45.024 0.1 . 1 . . . . . . . . 6468 1 118 . 1 1 34 34 SER N N 15 115.389 0.1 . 1 . . . . . . . . 6468 1 119 . 1 1 34 34 SER H H 1 8.129 0.02 . 1 . . . . . . . . 6468 1 120 . 1 1 34 34 SER CA C 13 57.152 0.1 . 1 . . . . . . . . 6468 1 121 . 1 1 34 34 SER CB C 13 64.437 0.1 . 1 . . . . . . . . 6468 1 122 . 1 1 34 34 SER C C 13 173.39 0.1 . 1 . . . . . . . . 6468 1 123 . 1 1 35 35 GLY N N 15 109.949 0.1 . 1 . . . . . . . . 6468 1 124 . 1 1 35 35 GLY H H 1 8.171 0.02 . 1 . . . . . . . . 6468 1 125 . 1 1 35 35 GLY CA C 13 44.111 0.1 . 1 . . . . . . . . 6468 1 126 . 1 1 35 35 GLY C C 13 173.661 0.1 . 1 . . . . . . . . 6468 1 127 . 1 1 36 36 ALA CA C 13 53.135 0.1 . 1 . . . . . . . . 6468 1 128 . 1 1 36 36 ALA CB C 13 17.267 0.1 . 1 . . . . . . . . 6468 1 129 . 1 1 36 36 ALA C C 13 178.077 0.1 . 1 . . . . . . . . 6468 1 130 . 1 1 37 37 TYR N N 15 113.178 0.1 . 1 . . . . . . . . 6468 1 131 . 1 1 37 37 TYR H H 1 8.075 0.02 . 1 . . . . . . . . 6468 1 132 . 1 1 37 37 TYR CA C 13 56.63 0.1 . 1 . . . . . . . . 6468 1 133 . 1 1 37 37 TYR CB C 13 37.045 0.1 . 1 . . . . . . . . 6468 1 134 . 1 1 37 37 TYR C C 13 176.048 0.1 . 1 . . . . . . . . 6468 1 135 . 1 1 38 38 GLY N N 15 107.983 0.1 . 1 . . . . . . . . 6468 1 136 . 1 1 38 38 GLY H H 1 7.338 0.02 . 1 . . . . . . . . 6468 1 137 . 1 1 38 38 GLY CA C 13 44.893 0.1 . 1 . . . . . . . . 6468 1 138 . 1 1 38 38 GLY C C 13 171.828 0.1 . 1 . . . . . . . . 6468 1 139 . 1 1 39 39 SER N N 15 115.499 0.1 . 1 . . . . . . . . 6468 1 140 . 1 1 39 39 SER H H 1 8.152 0.02 . 1 . . . . . . . . 6468 1 141 . 1 1 39 39 SER CA C 13 57.152 0.1 . 1 . . . . . . . . 6468 1 142 . 1 1 39 39 SER CB C 13 64.359 0.1 . 1 . . . . . . . . 6468 1 143 . 1 1 39 39 SER C C 13 171.967 0.1 . 1 . . . . . . . . 6468 1 144 . 1 1 40 40 VAL N N 15 121.985 0.1 . 1 . . . . . . . . 6468 1 145 . 1 1 40 40 VAL H H 1 8.685 0.02 . 1 . . . . . . . . 6468 1 146 . 1 1 40 40 VAL CA C 13 60.738 0.1 . 1 . . . . . . . . 6468 1 147 . 1 1 40 40 VAL CB C 13 34.063 0.1 . 1 . . . . . . . . 6468 1 148 . 1 1 40 40 VAL C C 13 176.281 0.1 . 1 . . . . . . . . 6468 1 149 . 1 1 41 41 CYS N N 15 124.965 0.1 . 1 . . . . . . . . 6468 1 150 . 1 1 41 41 CYS H H 1 9.327 0.02 . 1 . . . . . . . . 6468 1 151 . 1 1 41 41 CYS CA C 13 57.217 0.1 . 1 . . . . . . . . 6468 1 152 . 1 1 41 41 CYS CB C 13 30.295 0.1 . 1 . . . . . . . . 6468 1 153 . 1 1 41 41 CYS C C 13 173.227 0.1 . 1 . . . . . . . . 6468 1 154 . 1 1 42 42 ALA N N 15 124.934 0.1 . 1 . . . . . . . . 6468 1 155 . 1 1 42 42 ALA H H 1 8.803 0.02 . 1 . . . . . . . . 6468 1 156 . 1 1 42 42 ALA CA C 13 50.045 0.1 . 1 . . . . . . . . 6468 1 157 . 1 1 42 42 ALA CB C 13 19.7 0.1 . 1 . . . . . . . . 6468 1 158 . 1 1 42 42 ALA C C 13 176.294 0.1 . 1 . . . . . . . . 6468 1 159 . 1 1 43 43 ALA N N 15 120.389 0.1 . 1 . . . . . . . . 6468 1 160 . 1 1 43 43 ALA H H 1 8.99 0.02 . 1 . . . . . . . . 6468 1 161 . 1 1 43 43 ALA CA C 13 50.045 0.1 . 1 . . . . . . . . 6468 1 162 . 1 1 43 43 ALA CB C 13 22.29 0.1 . 1 . . . . . . . . 6468 1 163 . 1 1 43 43 ALA C C 13 175.115 0.1 . 1 . . . . . . . . 6468 1 164 . 1 1 44 44 PHE N N 15 121.612 0.1 . 1 . . . . . . . . 6468 1 165 . 1 1 44 44 PHE H H 1 9.308 0.02 . 1 . . . . . . . . 6468 1 166 . 1 1 44 44 PHE CA C 13 57.022 0.1 . 1 . . . . . . . . 6468 1 167 . 1 1 44 44 PHE CB C 13 39.871 0.1 . 1 . . . . . . . . 6468 1 168 . 1 1 44 44 PHE C C 13 173.88 0.1 . 1 . . . . . . . . 6468 1 169 . 1 1 45 45 ASP N N 15 125.645 0.1 . 1 . . . . . . . . 6468 1 170 . 1 1 45 45 ASP H H 1 8.121 0.02 . 1 . . . . . . . . 6468 1 171 . 1 1 45 45 ASP CA C 13 51.414 0.1 . 1 . . . . . . . . 6468 1 172 . 1 1 45 45 ASP CB C 13 40.42 0.1 . 1 . . . . . . . . 6468 1 173 . 1 1 45 45 ASP C C 13 176.317 0.1 . 1 . . . . . . . . 6468 1 174 . 1 1 46 46 THR N N 15 116.639 0.1 . 1 . . . . . . . . 6468 1 175 . 1 1 46 46 THR H H 1 8.867 0.02 . 1 . . . . . . . . 6468 1 176 . 1 1 46 46 THR CA C 13 62.955 0.1 . 1 . . . . . . . . 6468 1 177 . 1 1 46 46 THR CB C 13 68.597 0.1 . 1 . . . . . . . . 6468 1 178 . 1 1 46 46 THR C C 13 176.281 0.1 . 1 . . . . . . . . 6468 1 179 . 1 1 47 47 LYS N N 15 121.406 0.1 . 1 . . . . . . . . 6468 1 180 . 1 1 47 47 LYS H H 1 7.973 0.02 . 1 . . . . . . . . 6468 1 181 . 1 1 47 47 LYS CA C 13 58.065 0.1 . 1 . . . . . . . . 6468 1 182 . 1 1 47 47 LYS CB C 13 31.551 0.1 . 1 . . . . . . . . 6468 1 183 . 1 1 47 47 LYS C C 13 177.587 0.1 . 1 . . . . . . . . 6468 1 184 . 1 1 48 48 THR N N 15 104.425 0.1 . 1 . . . . . . . . 6468 1 185 . 1 1 48 48 THR H H 1 6.596 0.02 . 1 . . . . . . . . 6468 1 186 . 1 1 48 48 THR CA C 13 61.064 0.1 . 1 . . . . . . . . 6468 1 187 . 1 1 48 48 THR CB C 13 69.696 0.1 . 1 . . . . . . . . 6468 1 188 . 1 1 48 48 THR C C 13 175.675 0.1 . 1 . . . . . . . . 6468 1 189 . 1 1 49 49 GLY N N 15 110.774 0.1 . 1 . . . . . . . . 6468 1 190 . 1 1 49 49 GLY H H 1 8.31 0.02 . 1 . . . . . . . . 6468 1 191 . 1 1 49 49 GLY CA C 13 45.415 0.1 . 1 . . . . . . . . 6468 1 192 . 1 1 49 49 GLY C C 13 173.506 0.1 . 1 . . . . . . . . 6468 1 193 . 1 1 50 50 HIS N N 15 116.442 0.1 . 1 . . . . . . . . 6468 1 194 . 1 1 50 50 HIS H H 1 7.127 0.02 . 1 . . . . . . . . 6468 1 195 . 1 1 50 50 HIS CA C 13 53.566 0.1 . 1 . . . . . . . . 6468 1 196 . 1 1 50 50 HIS CB C 13 31.473 0.1 . 1 . . . . . . . . 6468 1 197 . 1 1 50 50 HIS C C 13 174.089 0.1 . 1 . . . . . . . . 6468 1 198 . 1 1 51 51 ARG N N 15 120.265 0.1 . 1 . . . . . . . . 6468 1 199 . 1 1 51 51 ARG H H 1 8.659 0.02 . 1 . . . . . . . . 6468 1 200 . 1 1 51 51 ARG CA C 13 55.522 0.1 . 1 . . . . . . . . 6468 1 201 . 1 1 51 51 ARG CB C 13 29.982 0.1 . 1 . . . . . . . . 6468 1 202 . 1 1 51 51 ARG C C 13 177.34 0.1 . 1 . . . . . . . . 6468 1 203 . 1 1 52 52 VAL N N 15 115.639 0.1 . 1 . . . . . . . . 6468 1 204 . 1 1 52 52 VAL H H 1 8.997 0.02 . 1 . . . . . . . . 6468 1 205 . 1 1 52 52 VAL CA C 13 59.209 0.1 . 1 . . . . . . . . 6468 1 206 . 1 1 52 52 VAL CB C 13 34.534 0.1 . 1 . . . . . . . . 6468 1 207 . 1 1 52 52 VAL C C 13 172.704 0.1 . 1 . . . . . . . . 6468 1 208 . 1 1 53 53 ALA N N 15 121.889 0.1 . 1 . . . . . . . . 6468 1 209 . 1 1 53 53 ALA H H 1 8.754 0.02 . 1 . . . . . . . . 6468 1 210 . 1 1 53 53 ALA CA C 13 49.641 0.1 . 1 . . . . . . . . 6468 1 211 . 1 1 53 53 ALA CB C 13 19.307 0.1 . 1 . . . . . . . . 6468 1 212 . 1 1 53 53 ALA C C 13 175.65 0.1 . 1 . . . . . . . . 6468 1 213 . 1 1 54 54 VAL N N 15 121.639 0.1 . 1 . . . . . . . . 6468 1 214 . 1 1 54 54 VAL H H 1 9.24 0.02 . 1 . . . . . . . . 6468 1 215 . 1 1 54 54 VAL CA C 13 60.021 0.1 . 1 . . . . . . . . 6468 1 216 . 1 1 54 54 VAL CB C 13 31.787 0.1 . 1 . . . . . . . . 6468 1 217 . 1 1 54 54 VAL C C 13 173.553 0.1 . 1 . . . . . . . . 6468 1 218 . 1 1 55 55 LYS N N 15 128.717 0.1 . 1 . . . . . . . . 6468 1 219 . 1 1 55 55 LYS H H 1 9.594 0.02 . 1 . . . . . . . . 6468 1 220 . 1 1 55 55 LYS CA C 13 53.474 0.1 . 1 . . . . . . . . 6468 1 221 . 1 1 55 55 LYS CB C 13 34.141 0.1 . 1 . . . . . . . . 6468 1 222 . 1 1 55 55 LYS C C 13 174.276 0.1 . 1 . . . . . . . . 6468 1 223 . 1 1 56 56 LYS N N 15 127.804 0.1 . 1 . . . . . . . . 6468 1 224 . 1 1 56 56 LYS H H 1 8.6 0.02 . 1 . . . . . . . . 6468 1 225 . 1 1 56 56 LYS CA C 13 53.567 0.1 . 1 . . . . . . . . 6468 1 226 . 1 1 56 56 LYS CB C 13 32.807 0.1 . 1 . . . . . . . . 6468 1 227 . 1 1 56 56 LYS C C 13 176.748 0.1 . 1 . . . . . . . . 6468 1 228 . 1 1 57 57 LEU N N 15 128.174 0.1 . 1 . . . . . . . . 6468 1 229 . 1 1 57 57 LEU H H 1 8.01 0.02 . 1 . . . . . . . . 6468 1 230 . 1 1 57 57 LEU CA C 13 54.348 0.1 . 1 . . . . . . . . 6468 1 231 . 1 1 57 57 LEU CB C 13 38.929 0.1 . 1 . . . . . . . . 6468 1 232 . 1 1 57 57 LEU C C 13 176.235 0.1 . 1 . . . . . . . . 6468 1 233 . 1 1 58 58 SER N N 15 117.467 0.1 . 1 . . . . . . . . 6468 1 234 . 1 1 58 58 SER H H 1 8.03 0.02 . 1 . . . . . . . . 6468 1 235 . 1 1 58 58 SER CA C 13 56.565 0.1 . 1 . . . . . . . . 6468 1 236 . 1 1 58 58 SER CB C 13 62.383 0.1 . 1 . . . . . . . . 6468 1 237 . 1 1 58 58 SER C C 13 173.6 0.1 . 1 . . . . . . . . 6468 1 238 . 1 1 59 59 ARG N N 15 122.459 0.1 . 1 . . . . . . . . 6468 1 239 . 1 1 59 59 ARG H H 1 8.73 0.02 . 1 . . . . . . . . 6468 1 240 . 1 1 59 59 ARG CA C 13 55.913 0.1 . 1 . . . . . . . . 6468 1 241 . 1 1 59 59 ARG CB C 13 28.453 0.1 . 1 . . . . . . . . 6468 1 242 . 1 1 59 59 ARG C C 13 174.076 0.1 . 1 . . . . . . . . 6468 1 243 . 1 1 60 60 PRO CA C 13 61.2 0.1 . 1 . . . . . . . . 6468 1 244 . 1 1 60 60 PRO CB C 13 28.6 0.1 . 1 . . . . . . . . 6468 1 245 . 1 1 60 60 PRO C C 13 175.139 0.1 . 1 . . . . . . . . 6468 1 246 . 1 1 61 61 PHE N N 15 111.746 0.1 . 1 . . . . . . . . 6468 1 247 . 1 1 61 61 PHE H H 1 7.887 0.02 . 1 . . . . . . . . 6468 1 248 . 1 1 61 61 PHE CA C 13 54.087 0.1 . 1 . . . . . . . . 6468 1 249 . 1 1 61 61 PHE CB C 13 37.053 0.1 . 1 . . . . . . . . 6468 1 250 . 1 1 61 61 PHE C C 13 176.538 0.1 . 1 . . . . . . . . 6468 1 251 . 1 1 62 62 GLN N N 15 115.063 0.1 . 1 . . . . . . . . 6468 1 252 . 1 1 62 62 GLN H H 1 7.08 0.02 . 1 . . . . . . . . 6468 1 253 . 1 1 62 62 GLN CA C 13 56.861 0.1 . 1 . . . . . . . . 6468 1 254 . 1 1 62 62 GLN CB C 13 28.453 0.1 . 1 . . . . . . . . 6468 1 255 . 1 1 62 62 GLN C C 13 174.276 0.1 . 1 . . . . . . . . 6468 1 256 . 1 1 63 63 SER N N 15 110.102 0.1 . 1 . . . . . . . . 6468 1 257 . 1 1 63 63 SER H H 1 7.446 0.02 . 1 . . . . . . . . 6468 1 258 . 1 1 63 63 SER CA C 13 56.187 0.1 . 1 . . . . . . . . 6468 1 259 . 1 1 63 63 SER CB C 13 65.588 0.1 . 1 . . . . . . . . 6468 1 260 . 1 1 65 65 ILE CA C 13 63.712 0.1 . 1 . . . . . . . . 6468 1 261 . 1 1 65 65 ILE CB C 13 40.18 0.1 . 1 . . . . . . . . 6468 1 262 . 1 1 65 65 ILE C C 13 178.986 0.1 . 1 . . . . . . . . 6468 1 263 . 1 1 66 66 HIS N N 15 119.489 0.1 . 1 . . . . . . . . 6468 1 264 . 1 1 66 66 HIS H H 1 7.674 0.02 . 1 . . . . . . . . 6468 1 265 . 1 1 66 66 HIS CA C 13 60.604 0.1 . 1 . . . . . . . . 6468 1 266 . 1 1 66 66 HIS CB C 13 34.707 0.1 . 1 . . . . . . . . 6468 1 267 . 1 1 66 66 HIS C C 13 177.051 0.1 . 1 . . . . . . . . 6468 1 268 . 1 1 67 67 ALA N N 15 122.934 0.1 . 1 . . . . . . . . 6468 1 269 . 1 1 67 67 ALA H H 1 8.6 0.02 . 1 . . . . . . . . 6468 1 270 . 1 1 67 67 ALA CA C 13 54.609 0.1 . 1 . . . . . . . . 6468 1 271 . 1 1 67 67 ALA CB C 13 18.368 0.1 . 1 . . . . . . . . 6468 1 272 . 1 1 67 67 ALA C C 13 178.59 0.1 . 1 . . . . . . . . 6468 1 273 . 1 1 68 68 LYS N N 15 117.644 0.1 . 1 . . . . . . . . 6468 1 274 . 1 1 68 68 LYS H H 1 7.83 0.02 . 1 . . . . . . . . 6468 1 275 . 1 1 68 68 LYS CA C 13 58.732 0.1 . 1 . . . . . . . . 6468 1 276 . 1 1 68 68 LYS CB C 13 31.189 0.1 . 1 . . . . . . . . 6468 1 277 . 1 1 68 68 LYS C C 13 177.727 0.1 . 1 . . . . . . . . 6468 1 278 . 1 1 69 69 ARG N N 15 118.628 0.1 . 1 . . . . . . . . 6468 1 279 . 1 1 69 69 ARG H H 1 7.477 0.02 . 1 . . . . . . . . 6468 1 280 . 1 1 69 69 ARG CA C 13 58.807 0.1 . 1 . . . . . . . . 6468 1 281 . 1 1 69 69 ARG CB C 13 28.531 0.1 . 1 . . . . . . . . 6468 1 282 . 1 1 69 69 ARG C C 13 178.361 0.1 . 1 . . . . . . . . 6468 1 283 . 1 1 80 80 MET CA C 13 55.112 0.1 . 1 . . . . . . . . 6468 1 284 . 1 1 80 80 MET CB C 13 32.909 0.1 . 1 . . . . . . . . 6468 1 285 . 1 1 81 81 LYS N N 15 128.058 0.1 . 1 . . . . . . . . 6468 1 286 . 1 1 81 81 LYS H H 1 8.486 0.02 . 1 . . . . . . . . 6468 1 287 . 1 1 81 81 LYS CA C 13 54.615 0.1 . 1 . . . . . . . . 6468 1 288 . 1 1 81 81 LYS CB C 13 31.971 0.1 . 1 . . . . . . . . 6468 1 289 . 1 1 81 81 LYS C C 13 172.97 0.1 . 1 . . . . . . . . 6468 1 290 . 1 1 82 82 HIS N N 15 123.4 0.1 . 1 . . . . . . . . 6468 1 291 . 1 1 82 82 HIS H H 1 8.675 0.02 . 1 . . . . . . . . 6468 1 292 . 1 1 82 82 HIS CA C 13 56.778 0.1 . 1 . . . . . . . . 6468 1 293 . 1 1 82 82 HIS CB C 13 32.518 0.1 . 1 . . . . . . . . 6468 1 294 . 1 1 82 82 HIS C C 13 175.162 0.1 . 1 . . . . . . . . 6468 1 295 . 1 1 83 83 GLU N N 15 125.002 0.1 . 1 . . . . . . . . 6468 1 296 . 1 1 83 83 GLU H H 1 8.066 0.02 . 1 . . . . . . . . 6468 1 297 . 1 1 83 83 GLU CA C 13 59.032 0.1 . 1 . . . . . . . . 6468 1 298 . 1 1 83 83 GLU CB C 13 29.078 0.1 . 1 . . . . . . . . 6468 1 299 . 1 1 83 83 GLU C C 13 177.634 0.1 . 1 . . . . . . . . 6468 1 300 . 1 1 84 84 ASN N N 15 117.684 0.1 . 1 . . . . . . . . 6468 1 301 . 1 1 84 84 ASN H H 1 11.348 0.02 . 1 . . . . . . . . 6468 1 302 . 1 1 84 84 ASN CA C 13 52.979 0.1 . 1 . . . . . . . . 6468 1 303 . 1 1 84 84 ASN CB C 13 40.258 0.1 . 1 . . . . . . . . 6468 1 304 . 1 1 85 85 VAL N N 15 118.967 0.1 . 1 . . . . . . . . 6468 1 305 . 1 1 85 85 VAL H H 1 7.674 0.02 . 1 . . . . . . . . 6468 1 306 . 1 1 85 85 VAL CA C 13 60.753 0.1 . 1 . . . . . . . . 6468 1 307 . 1 1 85 85 VAL CB C 13 34.864 0.1 . 1 . . . . . . . . 6468 1 308 . 1 1 85 85 VAL C C 13 174.591 0.1 . 1 . . . . . . . . 6468 1 309 . 1 1 86 86 ILE N N 15 128.624 0.1 . 1 . . . . . . . . 6468 1 310 . 1 1 86 86 ILE H H 1 8.316 0.02 . 1 . . . . . . . . 6468 1 311 . 1 1 86 86 ILE CA C 13 60.903 0.1 . 1 . . . . . . . . 6468 1 312 . 1 1 86 86 ILE CB C 13 37.756 0.1 . 1 . . . . . . . . 6468 1 313 . 1 1 86 86 ILE C C 13 171.758 0.1 . 1 . . . . . . . . 6468 1 314 . 1 1 87 87 GLY N N 15 108.926 0.1 . 1 . . . . . . . . 6468 1 315 . 1 1 87 87 GLY H H 1 7.734 0.02 . 1 . . . . . . . . 6468 1 316 . 1 1 87 87 GLY CA C 13 43.237 0.1 . 1 . . . . . . . . 6468 1 317 . 1 1 87 87 GLY C C 13 172.563 0.1 . 1 . . . . . . . . 6468 1 318 . 1 1 88 88 LEU N N 15 120.389 0.1 . 1 . . . . . . . . 6468 1 319 . 1 1 88 88 LEU H H 1 8.22 0.02 . 1 . . . . . . . . 6468 1 320 . 1 1 88 88 LEU CA C 13 53.693 0.1 . 1 . . . . . . . . 6468 1 321 . 1 1 88 88 LEU CB C 13 42.056 0.1 . 1 . . . . . . . . 6468 1 322 . 1 1 88 88 LEU C C 13 176.188 0.1 . 1 . . . . . . . . 6468 1 323 . 1 1 89 89 LEU N N 15 126.175 0.1 . 1 . . . . . . . . 6468 1 324 . 1 1 89 89 LEU H H 1 9.034 0.02 . 1 . . . . . . . . 6468 1 325 . 1 1 89 89 LEU CA C 13 55 0.1 . 1 . . . . . . . . 6468 1 326 . 1 1 89 89 LEU CB C 13 41.822 0.1 . 1 . . . . . . . . 6468 1 327 . 1 1 90 90 ASP CA C 13 52.376 0.1 . 1 . . . . . . . . 6468 1 328 . 1 1 90 90 ASP CB C 13 41.509 0.1 . 1 . . . . . . . . 6468 1 329 . 1 1 90 90 ASP C C 13 172.504 0.1 . 1 . . . . . . . . 6468 1 330 . 1 1 91 91 VAL N N 15 119.789 0.1 . 1 . . . . . . . . 6468 1 331 . 1 1 91 91 VAL H H 1 7.882 0.02 . 1 . . . . . . . . 6468 1 332 . 1 1 91 91 VAL CA C 13 58.882 0.1 . 1 . . . . . . . . 6468 1 333 . 1 1 91 91 VAL CB C 13 32.44 0.1 . 1 . . . . . . . . 6468 1 334 . 1 1 91 91 VAL C C 13 171.493 0.1 . 1 . . . . . . . . 6468 1 335 . 1 1 92 92 PHE N N 15 118.389 0.1 . 1 . . . . . . . . 6468 1 336 . 1 1 92 92 PHE H H 1 8.243 0.02 . 1 . . . . . . . . 6468 1 337 . 1 1 92 92 PHE CA C 13 55.427 0.1 . 1 . . . . . . . . 6468 1 338 . 1 1 92 92 PHE CB C 13 40.877 0.1 . 1 . . . . . . . . 6468 1 339 . 1 1 92 92 PHE C C 13 172.597 0.1 . 1 . . . . . . . . 6468 1 340 . 1 1 93 93 THR N N 15 113.048 0.1 . 1 . . . . . . . . 6468 1 341 . 1 1 93 93 THR H H 1 8.956 0.02 . 1 . . . . . . . . 6468 1 342 . 1 1 93 93 THR CA C 13 56.761 0.1 . 1 . . . . . . . . 6468 1 343 . 1 1 93 93 THR CB C 13 71.558 0.1 . 1 . . . . . . . . 6468 1 344 . 1 1 93 93 THR C C 13 184.431 0.1 . 1 . . . . . . . . 6468 1 345 . 1 1 94 94 PRO CA C 13 61.746 0.1 . 1 . . . . . . . . 6468 1 346 . 1 1 94 94 PRO CB C 13 29.975 0.1 . 1 . . . . . . . . 6468 1 347 . 1 1 94 94 PRO C C 13 176.445 0.1 . 1 . . . . . . . . 6468 1 348 . 1 1 95 95 ALA N N 15 121.798 0.1 . 1 . . . . . . . . 6468 1 349 . 1 1 95 95 ALA H H 1 7.713 0.02 . 1 . . . . . . . . 6468 1 350 . 1 1 95 95 ALA CA C 13 52.131 0.1 . 1 . . . . . . . . 6468 1 351 . 1 1 95 95 ALA CB C 13 19.774 0.1 . 1 . . . . . . . . 6468 1 352 . 1 1 95 95 ALA C C 13 178.357 0.1 . 1 . . . . . . . . 6468 1 353 . 1 1 96 96 ARG N N 15 120.687 0.1 . 1 . . . . . . . . 6468 1 354 . 1 1 96 96 ARG H H 1 9.265 0.02 . 1 . . . . . . . . 6468 1 355 . 1 1 96 96 ARG CA C 13 55.326 0.1 . 1 . . . . . . . . 6468 1 356 . 1 1 96 96 ARG CB C 13 29.508 0.1 . 1 . . . . . . . . 6468 1 357 . 1 1 96 96 ARG C C 13 174.929 0.1 . 1 . . . . . . . . 6468 1 358 . 1 1 97 97 SER N N 15 110.856 0.1 . 1 . . . . . . . . 6468 1 359 . 1 1 97 97 SER H H 1 7.385 0.02 . 1 . . . . . . . . 6468 1 360 . 1 1 97 97 SER CA C 13 56.109 0.1 . 1 . . . . . . . . 6468 1 361 . 1 1 97 97 SER CB C 13 64.939 0.1 . 1 . . . . . . . . 6468 1 362 . 1 1 97 97 SER C C 13 173.53 0.1 . 1 . . . . . . . . 6468 1 363 . 1 1 98 98 LEU N N 15 121.974 0.1 . 1 . . . . . . . . 6468 1 364 . 1 1 98 98 LEU H H 1 8.465 0.02 . 1 . . . . . . . . 6468 1 365 . 1 1 98 98 LEU CA C 13 56.565 0.1 . 1 . . . . . . . . 6468 1 366 . 1 1 98 98 LEU CB C 13 40.098 0.1 . 1 . . . . . . . . 6468 1 367 . 1 1 98 98 LEU C C 13 178.706 0.1 . 1 . . . . . . . . 6468 1 368 . 1 1 99 99 GLU N N 15 116.819 0.1 . 1 . . . . . . . . 6468 1 369 . 1 1 99 99 GLU H H 1 8.306 0.02 . 1 . . . . . . . . 6468 1 370 . 1 1 99 99 GLU CA C 13 58.717 0.1 . 1 . . . . . . . . 6468 1 371 . 1 1 99 99 GLU CB C 13 27.873 0.1 . 1 . . . . . . . . 6468 1 372 . 1 1 99 99 GLU C C 13 177.354 0.1 . 1 . . . . . . . . 6468 1 373 . 1 1 100 100 GLU N N 15 114.798 0.1 . 1 . . . . . . . . 6468 1 374 . 1 1 100 100 GLU H H 1 7.025 0.02 . 1 . . . . . . . . 6468 1 375 . 1 1 100 100 GLU CA C 13 54.153 0.1 . 1 . . . . . . . . 6468 1 376 . 1 1 100 100 GLU CB C 13 29.975 0.1 . 1 . . . . . . . . 6468 1 377 . 1 1 100 100 GLU C C 13 175.209 0.1 . 1 . . . . . . . . 6468 1 378 . 1 1 101 101 PHE N N 15 121.692 0.1 . 1 . . . . . . . . 6468 1 379 . 1 1 101 101 PHE H H 1 7.299 0.02 . 1 . . . . . . . . 6468 1 380 . 1 1 101 101 PHE CA C 13 56.239 0.1 . 1 . . . . . . . . 6468 1 381 . 1 1 101 101 PHE CB C 13 37.84 0.1 . 1 . . . . . . . . 6468 1 382 . 1 1 101 101 PHE C C 13 172.9 0.1 . 1 . . . . . . . . 6468 1 383 . 1 1 102 102 ASN N N 15 124.934 0.1 . 1 . . . . . . . . 6468 1 384 . 1 1 102 102 ASN H H 1 8.556 0.02 . 1 . . . . . . . . 6468 1 385 . 1 1 102 102 ASN CA C 13 53.892 0.1 . 1 . . . . . . . . 6468 1 386 . 1 1 102 102 ASN CB C 13 41.57 0.1 . 1 . . . . . . . . 6468 1 387 . 1 1 102 102 ASN C C 13 172.364 0.1 . 1 . . . . . . . . 6468 1 388 . 1 1 103 103 ASP N N 15 115.238 0.1 . 1 . . . . . . . . 6468 1 389 . 1 1 103 103 ASP H H 1 7.608 0.02 . 1 . . . . . . . . 6468 1 390 . 1 1 103 103 ASP CA C 13 52.819 0.1 . 1 . . . . . . . . 6468 1 391 . 1 1 103 103 ASP CB C 13 43.587 0.1 . 1 . . . . . . . . 6468 1 392 . 1 1 103 103 ASP C C 13 174.113 0.1 . 1 . . . . . . . . 6468 1 393 . 1 1 104 104 VAL N N 15 120.607 0.1 . 1 . . . . . . . . 6468 1 394 . 1 1 104 104 VAL H H 1 8.448 0.02 . 1 . . . . . . . . 6468 1 395 . 1 1 104 104 VAL CA C 13 60.934 0.1 . 1 . . . . . . . . 6468 1 396 . 1 1 104 104 VAL CB C 13 34.512 0.1 . 1 . . . . . . . . 6468 1 397 . 1 1 104 104 VAL C C 13 177.282 0.1 . 1 . . . . . . . . 6468 1 398 . 1 1 105 105 TYR N N 15 123.89 0.1 . 1 . . . . . . . . 6468 1 399 . 1 1 105 105 TYR H H 1 8.089 0.02 . 1 . . . . . . . . 6468 1 400 . 1 1 105 105 TYR CA C 13 54.36 0.1 . 1 . . . . . . . . 6468 1 401 . 1 1 105 105 TYR CB C 13 39.398 0.1 . 1 . . . . . . . . 6468 1 402 . 1 1 105 105 TYR C C 13 174.408 0.1 . 1 . . . . . . . . 6468 1 403 . 1 1 106 106 LEU N N 15 118.889 0.1 . 1 . . . . . . . . 6468 1 404 . 1 1 106 106 LEU H H 1 8.843 0.02 . 1 . . . . . . . . 6468 1 405 . 1 1 106 106 LEU CA C 13 52.712 0.1 . 1 . . . . . . . . 6468 1 406 . 1 1 106 106 LEU CB C 13 43.276 0.1 . 1 . . . . . . . . 6468 1 407 . 1 1 106 106 LEU C C 13 175.057 0.1 . 1 . . . . . . . . 6468 1 408 . 1 1 107 107 VAL N N 15 123.139 0.1 . 1 . . . . . . . . 6468 1 409 . 1 1 107 107 VAL H H 1 8.449 0.02 . 1 . . . . . . . . 6468 1 410 . 1 1 107 107 VAL CA C 13 60.08 0.1 . 1 . . . . . . . . 6468 1 411 . 1 1 107 107 VAL CB C 13 31.642 0.1 . 1 . . . . . . . . 6468 1 412 . 1 1 107 107 VAL C C 13 175.395 0.1 . 1 . . . . . . . . 6468 1 413 . 1 1 108 108 THR N N 15 117.658 0.1 . 1 . . . . . . . . 6468 1 414 . 1 1 108 108 THR H H 1 9.089 0.02 . 1 . . . . . . . . 6468 1 415 . 1 1 108 108 THR CA C 13 59.043 0.1 . 1 . . . . . . . . 6468 1 416 . 1 1 108 108 THR CB C 13 72.595 0.1 . 1 . . . . . . . . 6468 1 417 . 1 1 108 108 THR C C 13 173.6 0.1 . 1 . . . . . . . . 6468 1 418 . 1 1 109 109 HIS N N 15 117.916 0.1 . 1 . . . . . . . . 6468 1 419 . 1 1 109 109 HIS H H 1 8.625 0.02 . 1 . . . . . . . . 6468 1 420 . 1 1 109 109 HIS CA C 13 58.391 0.1 . 1 . . . . . . . . 6468 1 421 . 1 1 109 109 HIS CB C 13 30.711 0.1 . 1 . . . . . . . . 6468 1 422 . 1 1 109 109 HIS C C 13 174.999 0.1 . 1 . . . . . . . . 6468 1 423 . 1 1 110 110 LEU N N 15 123.917 0.1 . 1 . . . . . . . . 6468 1 424 . 1 1 110 110 LEU H H 1 8.225 0.02 . 1 . . . . . . . . 6468 1 425 . 1 1 110 110 LEU CA C 13 53.761 0.1 . 1 . . . . . . . . 6468 1 426 . 1 1 110 110 LEU CB C 13 41.492 0.1 . 1 . . . . . . . . 6468 1 427 . 1 1 110 110 LEU C C 13 175.722 0.1 . 1 . . . . . . . . 6468 1 428 . 1 1 111 111 MET N N 15 125.409 0.1 . 1 . . . . . . . . 6468 1 429 . 1 1 111 111 MET H H 1 8.752 0.02 . 1 . . . . . . . . 6468 1 430 . 1 1 111 111 MET CA C 13 54.218 0.1 . 1 . . . . . . . . 6468 1 431 . 1 1 111 111 MET CB C 13 30.866 0.1 . 1 . . . . . . . . 6468 1 432 . 1 1 111 111 MET C C 13 176.095 0.1 . 1 . . . . . . . . 6468 1 433 . 1 1 112 112 GLY N N 15 108.525 0.1 . 1 . . . . . . . . 6468 1 434 . 1 1 112 112 GLY H H 1 8.158 0.02 . 1 . . . . . . . . 6468 1 435 . 1 1 112 112 GLY CA C 13 45.285 0.1 . 1 . . . . . . . . 6468 1 436 . 1 1 112 112 GLY C C 13 172.807 0.1 . 1 . . . . . . . . 6468 1 437 . 1 1 113 113 ALA N N 15 123.472 0.1 . 1 . . . . . . . . 6468 1 438 . 1 1 113 113 ALA H H 1 7.877 0.02 . 1 . . . . . . . . 6468 1 439 . 1 1 113 113 ALA CA C 13 50.958 0.1 . 1 . . . . . . . . 6468 1 440 . 1 1 113 113 ALA CB C 13 19.775 0.1 . 1 . . . . . . . . 6468 1 441 . 1 1 113 113 ALA C C 13 176.771 0.1 . 1 . . . . . . . . 6468 1 442 . 1 1 114 114 ASP N N 15 117.75 0.1 . 1 . . . . . . . . 6468 1 443 . 1 1 114 114 ASP H H 1 7.981 0.02 . 1 . . . . . . . . 6468 1 444 . 1 1 114 114 ASP CA C 13 51.682 0.1 . 1 . . . . . . . . 6468 1 445 . 1 1 114 114 ASP CB C 13 41.803 0.1 . 1 . . . . . . . . 6468 1 446 . 1 1 114 114 ASP C C 13 177.261 0.1 . 1 . . . . . . . . 6468 1 447 . 1 1 115 115 LEU N N 15 116.902 0.1 . 1 . . . . . . . . 6468 1 448 . 1 1 115 115 LEU H H 1 7.801 0.02 . 1 . . . . . . . . 6468 1 449 . 1 1 115 115 LEU CA C 13 56.642 0.1 . 1 . . . . . . . . 6468 1 450 . 1 1 115 115 LEU CB C 13 41.027 0.1 . 1 . . . . . . . . 6468 1 451 . 1 1 115 115 LEU C C 13 178.123 0.1 . 1 . . . . . . . . 6468 1 452 . 1 1 116 116 ASN N N 15 115.157 0.1 . 1 . . . . . . . . 6468 1 453 . 1 1 116 116 ASN H H 1 7.665 0.02 . 1 . . . . . . . . 6468 1 454 . 1 1 116 116 ASN CB C 13 37.381 0.1 . 1 . . . . . . . . 6468 1 455 . 1 1 116 116 ASN C C 13 176.913 0.1 . 1 . . . . . . . . 6468 1 456 . 1 1 117 117 ASN CA C 13 57.005 0.1 . 1 . . . . . . . . 6468 1 457 . 1 1 117 117 ASN CB C 13 40.174 0.1 . 1 . . . . . . . . 6468 1 458 . 1 1 117 117 ASN C C 13 176.812 0.1 . 1 . . . . . . . . 6468 1 459 . 1 1 118 118 ILE N N 15 118.139 0.1 . 1 . . . . . . . . 6468 1 460 . 1 1 118 118 ILE H H 1 7.511 0.02 . 1 . . . . . . . . 6468 1 461 . 1 1 118 118 ILE CA C 13 62.482 0.1 . 1 . . . . . . . . 6468 1 462 . 1 1 118 118 ILE CB C 13 36.14 0.1 . 1 . . . . . . . . 6468 1 463 . 1 1 118 118 ILE C C 13 177.284 0.1 . 1 . . . . . . . . 6468 1 464 . 1 1 119 119 VAL N N 15 116.1 0.1 . 1 . . . . . . . . 6468 1 465 . 1 1 119 119 VAL H H 1 7.523 0.02 . 1 . . . . . . . . 6468 1 466 . 1 1 119 119 VAL CA C 13 63.673 0.1 . 1 . . . . . . . . 6468 1 467 . 1 1 119 119 VAL CB C 13 30.478 0.1 . 1 . . . . . . . . 6468 1 468 . 1 1 119 119 VAL C C 13 177.284 0.1 . 1 . . . . . . . . 6468 1 469 . 1 1 120 120 LYS N N 15 116.937 0.1 . 1 . . . . . . . . 6468 1 470 . 1 1 120 120 LYS H H 1 7.388 0.02 . 1 . . . . . . . . 6468 1 471 . 1 1 120 120 LYS CA C 13 57.011 0.1 . 1 . . . . . . . . 6468 1 472 . 1 1 120 120 LYS CB C 13 31.642 0.1 . 1 . . . . . . . . 6468 1 473 . 1 1 120 120 LYS C C 13 177.914 0.1 . 1 . . . . . . . . 6468 1 474 . 1 1 121 121 CYS N N 15 114.003 0.1 . 1 . . . . . . . . 6468 1 475 . 1 1 121 121 CYS H H 1 7.653 0.02 . 1 . . . . . . . . 6468 1 476 . 1 1 121 121 CYS CB C 13 28.384 0.1 . 1 . . . . . . . . 6468 1 477 . 1 1 121 121 CYS C C 13 173.996 0.1 . 1 . . . . . . . . 6468 1 478 . 1 1 122 122 GLN N N 15 119.073 0.1 . 1 . . . . . . . . 6468 1 479 . 1 1 122 122 GLN H H 1 8.013 0.02 . 1 . . . . . . . . 6468 1 480 . 1 1 122 122 GLN CA C 13 54.294 0.1 . 1 . . . . . . . . 6468 1 481 . 1 1 122 122 GLN CB C 13 29.858 0.1 . 1 . . . . . . . . 6468 1 482 . 1 1 122 122 GLN C C 13 173.505 0.1 . 1 . . . . . . . . 6468 1 483 . 1 1 125 125 THR C C 13 181.26 0.1 . 1 . . . . . . . . 6468 1 484 . 1 1 126 126 ASP N N 15 120.139 0.1 . 1 . . . . . . . . 6468 1 485 . 1 1 126 126 ASP H H 1 8.961 0.02 . 1 . . . . . . . . 6468 1 486 . 1 1 126 126 ASP CA C 13 57.935 0.1 . 1 . . . . . . . . 6468 1 487 . 1 1 126 126 ASP CB C 13 42.113 0.1 . 1 . . . . . . . . 6468 1 488 . 1 1 126 126 ASP C C 13 177.54 0.1 . 1 . . . . . . . . 6468 1 489 . 1 1 127 127 ASP N N 15 114.934 0.1 . 1 . . . . . . . . 6468 1 490 . 1 1 127 127 ASP H H 1 7.977 0.02 . 1 . . . . . . . . 6468 1 491 . 1 1 127 127 ASP CA C 13 56.761 0.1 . 1 . . . . . . . . 6468 1 492 . 1 1 127 127 ASP CB C 13 39.863 0.1 . 1 . . . . . . . . 6468 1 493 . 1 1 127 127 ASP C C 13 178.683 0.1 . 1 . . . . . . . . 6468 1 494 . 1 1 128 128 HIS N N 15 118.842 0.1 . 1 . . . . . . . . 6468 1 495 . 1 1 128 128 HIS H H 1 7.522 0.02 . 1 . . . . . . . . 6468 1 496 . 1 1 128 128 HIS CA C 13 59.406 0.1 . 1 . . . . . . . . 6468 1 497 . 1 1 128 128 HIS CB C 13 39.941 0.1 . 1 . . . . . . . . 6468 1 498 . 1 1 128 128 HIS C C 13 178.884 0.1 . 1 . . . . . . . . 6468 1 499 . 1 1 129 129 VAL N N 15 119.645 0.1 . 1 . . . . . . . . 6468 1 500 . 1 1 129 129 VAL H H 1 8.146 0.02 . 1 . . . . . . . . 6468 1 501 . 1 1 129 129 VAL CA C 13 67.715 0.1 . 1 . . . . . . . . 6468 1 502 . 1 1 129 129 VAL CB C 13 29.642 0.1 . 1 . . . . . . . . 6468 1 503 . 1 1 129 129 VAL C C 13 177.401 0.1 . 1 . . . . . . . . 6468 1 504 . 1 1 130 130 GLN N N 15 117.779 0.1 . 1 . . . . . . . . 6468 1 505 . 1 1 130 130 GLN H H 1 8.403 0.02 . 1 . . . . . . . . 6468 1 506 . 1 1 130 130 GLN CA C 13 58.717 0.1 . 1 . . . . . . . . 6468 1 507 . 1 1 130 130 GLN CB C 13 29.315 0.1 . 1 . . . . . . . . 6468 1 508 . 1 1 130 130 GLN C C 13 177.797 0.1 . 1 . . . . . . . . 6468 1 509 . 1 1 131 131 PHE N N 15 115.806 0.1 . 1 . . . . . . . . 6468 1 510 . 1 1 131 131 PHE H H 1 7.441 0.02 . 1 . . . . . . . . 6468 1 511 . 1 1 131 131 PHE CA C 13 58.208 0.1 . 1 . . . . . . . . 6468 1 512 . 1 1 131 131 PHE CB C 13 38.7 0.1 . 1 . . . . . . . . 6468 1 513 . 1 1 131 131 PHE C C 13 179.429 0.1 . 1 . . . . . . . . 6468 1 514 . 1 1 132 132 LEU N N 15 120.086 0.1 . 1 . . . . . . . . 6468 1 515 . 1 1 132 132 LEU H H 1 8.774 0.02 . 1 . . . . . . . . 6468 1 516 . 1 1 132 132 LEU CA C 13 58.065 0.1 . 1 . . . . . . . . 6468 1 517 . 1 1 132 132 LEU CB C 13 41.647 0.1 . 1 . . . . . . . . 6468 1 518 . 1 1 132 132 LEU C C 13 179.51 0.1 . 1 . . . . . . . . 6468 1 519 . 1 1 133 133 ILE N N 15 115.639 0.1 . 1 . . . . . . . . 6468 1 520 . 1 1 133 133 ILE H H 1 8.672 0.02 . 1 . . . . . . . . 6468 1 521 . 1 1 133 133 ILE CA C 13 61.216 0.1 . 1 . . . . . . . . 6468 1 522 . 1 1 133 133 ILE C C 13 178.573 0.1 . 1 . . . . . . . . 6468 1 523 . 1 1 138 138 ARG CA C 13 59.565 0.1 . 1 . . . . . . . . 6468 1 524 . 1 1 138 138 ARG CB C 13 29.082 0.1 . 1 . . . . . . . . 6468 1 525 . 1 1 138 138 ARG C C 13 179.639 0.1 . 1 . . . . . . . . 6468 1 526 . 1 1 139 139 GLY N N 15 106.651 0.1 . 1 . . . . . . . . 6468 1 527 . 1 1 139 139 GLY H H 1 8.123 0.02 . 1 . . . . . . . . 6468 1 528 . 1 1 139 139 GLY CA C 13 46.458 0.1 . 1 . . . . . . . . 6468 1 529 . 1 1 139 139 GLY C C 13 174.766 0.1 . 1 . . . . . . . . 6468 1 530 . 1 1 140 140 LEU N N 15 121.035 0.1 . 1 . . . . . . . . 6468 1 531 . 1 1 140 140 LEU H H 1 8.674 0.02 . 1 . . . . . . . . 6468 1 532 . 1 1 140 140 LEU CA C 13 55.978 0.1 . 1 . . . . . . . . 6468 1 533 . 1 1 140 140 LEU CB C 13 40.174 0.1 . 1 . . . . . . . . 6468 1 534 . 1 1 140 140 LEU C C 13 177.284 0.1 . 1 . . . . . . . . 6468 1 535 . 1 1 141 141 LYS N N 15 118.828 0.1 . 1 . . . . . . . . 6468 1 536 . 1 1 141 141 LYS H H 1 8.676 0.02 . 1 . . . . . . . . 6468 1 537 . 1 1 141 141 LYS CA C 13 59.304 0.1 . 1 . . . . . . . . 6468 1 538 . 1 1 141 141 LYS CB C 13 31.409 0.1 . 1 . . . . . . . . 6468 1 539 . 1 1 141 141 LYS C C 13 179.289 0.1 . 1 . . . . . . . . 6468 1 540 . 1 1 142 142 TYR N N 15 117.577 0.1 . 1 . . . . . . . . 6468 1 541 . 1 1 142 142 TYR H H 1 6.829 0.02 . 1 . . . . . . . . 6468 1 542 . 1 1 142 142 TYR CA C 13 61.053 0.1 . 1 . . . . . . . . 6468 1 543 . 1 1 142 142 TYR CB C 13 37.381 0.1 . 1 . . . . . . . . 6468 1 544 . 1 1 142 142 TYR C C 13 178.07 0.1 . 1 . . . . . . . . 6468 1 545 . 1 1 143 143 ILE N N 15 119.594 0.1 . 1 . . . . . . . . 6468 1 546 . 1 1 143 143 ILE H H 1 8.433 0.02 . 1 . . . . . . . . 6468 1 547 . 1 1 143 143 ILE CA C 13 66.095 0.1 . 1 . . . . . . . . 6468 1 548 . 1 1 143 143 ILE CB C 13 37.149 0.1 . 1 . . . . . . . . 6468 1 549 . 1 1 143 143 ILE C C 13 177.937 0.1 . 1 . . . . . . . . 6468 1 550 . 1 1 144 144 HIS N N 15 119.267 0.1 . 1 . . . . . . . . 6468 1 551 . 1 1 144 144 HIS H H 1 9.506 0.02 . 1 . . . . . . . . 6468 1 552 . 1 1 144 144 HIS CA C 13 56.63 0.1 . 1 . . . . . . . . 6468 1 553 . 1 1 144 144 HIS CB C 13 30.09 0.1 . 1 . . . . . . . . 6468 1 554 . 1 1 144 144 HIS C C 13 180.898 0.1 . 1 . . . . . . . . 6468 1 555 . 1 1 145 145 SER N N 15 115.912 0.1 . 1 . . . . . . . . 6468 1 556 . 1 1 145 145 SER H H 1 7.856 0.02 . 1 . . . . . . . . 6468 1 557 . 1 1 145 145 SER CA C 13 60.608 0.1 . 1 . . . . . . . . 6468 1 558 . 1 1 145 145 SER CB C 13 62.124 0.1 . 1 . . . . . . . . 6468 1 559 . 1 1 145 145 SER C C 13 174.532 0.1 . 1 . . . . . . . . 6468 1 560 . 1 1 146 146 ALA N N 15 125.714 0.1 . 1 . . . . . . . . 6468 1 561 . 1 1 146 146 ALA H H 1 7.415 0.02 . 1 . . . . . . . . 6468 1 562 . 1 1 146 146 ALA CA C 13 48.74 0.1 . 1 . . . . . . . . 6468 1 563 . 1 1 146 146 ALA CB C 13 14.67 0.1 . 1 . . . . . . . . 6468 1 564 . 1 1 146 146 ALA C C 13 175.512 0.1 . 1 . . . . . . . . 6468 1 565 . 1 1 147 147 ASP N N 15 114.686 0.1 . 1 . . . . . . . . 6468 1 566 . 1 1 147 147 ASP H H 1 8.198 0.02 . 1 . . . . . . . . 6468 1 567 . 1 1 147 147 ASP CA C 13 55.131 0.1 . 1 . . . . . . . . 6468 1 568 . 1 1 147 147 ASP CB C 13 38.39 0.1 . 1 . . . . . . . . 6468 1 569 . 1 1 147 147 ASP C C 13 174.183 0.1 . 1 . . . . . . . . 6468 1 570 . 1 1 148 148 ILE N N 15 118.715 0.1 . 1 . . . . . . . . 6468 1 571 . 1 1 148 148 ILE H H 1 7.262 0.02 . 1 . . . . . . . . 6468 1 572 . 1 1 148 148 ILE CA C 13 58.657 0.1 . 1 . . . . . . . . 6468 1 573 . 1 1 148 148 ILE CB C 13 37.924 0.1 . 1 . . . . . . . . 6468 1 574 . 1 1 148 148 ILE C C 13 173.695 0.1 . 1 . . . . . . . . 6468 1 575 . 1 1 149 149 ILE N N 15 122.639 0.1 . 1 . . . . . . . . 6468 1 576 . 1 1 149 149 ILE H H 1 7.832 0.02 . 1 . . . . . . . . 6468 1 577 . 1 1 149 149 ILE CA C 13 59.194 0.1 . 1 . . . . . . . . 6468 1 578 . 1 1 149 149 ILE CB C 13 39.863 0.1 . 1 . . . . . . . . 6468 1 579 . 1 1 155 155 PRO C C 13 176.375 0.1 . 1 . . . . . . . . 6468 1 580 . 1 1 156 156 SER N N 15 105.461 0.1 . 1 . . . . . . . . 6468 1 581 . 1 1 156 156 SER H H 1 7.505 0.02 . 1 . . . . . . . . 6468 1 582 . 1 1 156 156 SER CA C 13 59.406 0.1 . 1 . . . . . . . . 6468 1 583 . 1 1 156 156 SER CB C 13 61.65 0.1 . 1 . . . . . . . . 6468 1 584 . 1 1 156 156 SER C C 13 174.638 0.1 . 1 . . . . . . . . 6468 1 585 . 1 1 157 157 ASN N N 15 118.389 0.1 . 1 . . . . . . . . 6468 1 586 . 1 1 157 157 ASN H H 1 7.801 0.02 . 1 . . . . . . . . 6468 1 587 . 1 1 157 157 ASN CA C 13 52.264 0.1 . 1 . . . . . . . . 6468 1 588 . 1 1 157 157 ASN CB C 13 37.546 0.1 . 1 . . . . . . . . 6468 1 589 . 1 1 157 157 ASN C C 13 171.291 0.1 . 1 . . . . . . . . 6468 1 590 . 1 1 158 158 LEU N N 15 118.628 0.1 . 1 . . . . . . . . 6468 1 591 . 1 1 158 158 LEU H H 1 7.059 0.02 . 1 . . . . . . . . 6468 1 592 . 1 1 158 158 LEU CA C 13 52.444 0.1 . 1 . . . . . . . . 6468 1 593 . 1 1 158 158 LEU CB C 13 41.795 0.1 . 1 . . . . . . . . 6468 1 594 . 1 1 158 158 LEU C C 13 173.623 0.1 . 1 . . . . . . . . 6468 1 595 . 1 1 159 159 ALA N N 15 124.866 0.1 . 1 . . . . . . . . 6468 1 596 . 1 1 159 159 ALA H H 1 8.523 0.02 . 1 . . . . . . . . 6468 1 597 . 1 1 159 159 ALA CA C 13 50.11 0.1 . 1 . . . . . . . . 6468 1 598 . 1 1 159 159 ALA CB C 13 20.55 0.1 . 1 . . . . . . . . 6468 1 599 . 1 1 159 159 ALA C C 13 176.445 0.1 . 1 . . . . . . . . 6468 1 600 . 1 1 160 160 VAL N N 15 117.432 0.1 . 1 . . . . . . . . 6468 1 601 . 1 1 160 160 VAL H H 1 8.163 0.02 . 1 . . . . . . . . 6468 1 602 . 1 1 160 160 VAL CA C 13 59.032 0.1 . 1 . . . . . . . . 6468 1 603 . 1 1 160 160 VAL CB C 13 34.962 0.1 . 1 . . . . . . . . 6468 1 604 . 1 1 160 160 VAL C C 13 175.279 0.1 . 1 . . . . . . . . 6468 1 605 . 1 1 161 161 ASN N N 15 121.74 0.1 . 1 . . . . . . . . 6468 1 606 . 1 1 161 161 ASN H H 1 7.873 0.02 . 1 . . . . . . . . 6468 1 607 . 1 1 161 161 ASN CA C 13 49.899 0.1 . 1 . . . . . . . . 6468 1 608 . 1 1 161 161 ASN CB C 13 39.254 0.1 . 1 . . . . . . . . 6468 1 609 . 1 1 161 161 ASN C C 13 177.349 0.1 . 1 . . . . . . . . 6468 1 610 . 1 1 162 162 GLU N N 15 117.263 0.1 . 1 . . . . . . . . 6468 1 611 . 1 1 162 162 GLU H H 1 8.856 0.02 . 1 . . . . . . . . 6468 1 612 . 1 1 162 162 GLU CA C 13 58.391 0.1 . 1 . . . . . . . . 6468 1 613 . 1 1 162 162 GLU CB C 13 27.911 0.1 . 1 . . . . . . . . 6468 1 614 . 1 1 162 162 GLU C C 13 176.934 0.1 . 1 . . . . . . . . 6468 1 615 . 1 1 163 163 ASP N N 15 118.254 0.1 . 1 . . . . . . . . 6468 1 616 . 1 1 163 163 ASP H H 1 7.521 0.02 . 1 . . . . . . . . 6468 1 617 . 1 1 163 163 ASP CA C 13 53.792 0.1 . 1 . . . . . . . . 6468 1 618 . 1 1 163 163 ASP CB C 13 40.48 0.1 . 1 . . . . . . . . 6468 1 619 . 1 1 163 163 ASP C C 13 174.591 0.1 . 1 . . . . . . . . 6468 1 620 . 1 1 164 164 CYS N N 15 110.888 0.1 . 1 . . . . . . . . 6468 1 621 . 1 1 164 164 CYS H H 1 8.298 0.02 . 1 . . . . . . . . 6468 1 622 . 1 1 164 164 CYS CA C 13 61.847 0.1 . 1 . . . . . . . . 6468 1 623 . 1 1 164 164 CYS CB C 13 24.156 0.1 . 1 . . . . . . . . 6468 1 624 . 1 1 164 164 CYS C C 13 172.574 0.1 . 1 . . . . . . . . 6468 1 625 . 1 1 165 165 GLU N N 15 117.208 0.1 . 1 . . . . . . . . 6468 1 626 . 1 1 165 165 GLU H H 1 7.668 0.02 . 1 . . . . . . . . 6468 1 627 . 1 1 165 165 GLU CA C 13 55.588 0.1 . 1 . . . . . . . . 6468 1 628 . 1 1 165 165 GLU CB C 13 28.065 0.1 . 1 . . . . . . . . 6468 1 629 . 1 1 165 165 GLU C C 13 175.792 0.1 . 1 . . . . . . . . 6468 1 630 . 1 1 166 166 LEU N N 15 125.056 0.1 . 1 . . . . . . . . 6468 1 631 . 1 1 166 166 LEU H H 1 7.981 0.02 . 1 . . . . . . . . 6468 1 632 . 1 1 166 166 LEU CA C 13 53.101 0.1 . 1 . . . . . . . . 6468 1 633 . 1 1 166 166 LEU CB C 13 45.061 0.1 . 1 . . . . . . . . 6468 1 634 . 1 1 166 166 LEU C C 13 175.578 0.1 . 1 . . . . . . . . 6468 1 635 . 1 1 167 167 LYS N N 15 122.139 0.1 . 1 . . . . . . . . 6468 1 636 . 1 1 167 167 LYS H H 1 8.97 0.02 . 1 . . . . . . . . 6468 1 637 . 1 1 167 167 LYS CA C 13 53.359 0.1 . 1 . . . . . . . . 6468 1 638 . 1 1 167 167 LYS CB C 13 37.123 0.1 . 1 . . . . . . . . 6468 1 639 . 1 1 167 167 LYS C C 13 174.168 0.1 . 1 . . . . . . . . 6468 1 640 . 1 1 168 168 ILE N N 15 121.389 0.1 . 1 . . . . . . . . 6468 1 641 . 1 1 168 168 ILE H H 1 8.198 0.02 . 1 . . . . . . . . 6468 1 642 . 1 1 168 168 ILE CA C 13 61.772 0.1 . 1 . . . . . . . . 6468 1 643 . 1 1 168 168 ILE CB C 13 38.726 0.1 . 1 . . . . . . . . 6468 1 644 . 1 1 168 168 ILE C C 13 174.766 0.1 . 1 . . . . . . . . 6468 1 645 . 1 1 169 169 LEU N N 15 124.595 0.1 . 1 . . . . . . . . 6468 1 646 . 1 1 169 169 LEU H H 1 8.459 0.02 . 1 . . . . . . . . 6468 1 647 . 1 1 169 169 LEU CA C 13 53.914 0.1 . 1 . . . . . . . . 6468 1 648 . 1 1 169 169 LEU CB C 13 42.619 0.1 . 1 . . . . . . . . 6468 1 649 . 1 1 180 180 GLU CA C 13 56.817 0.1 . 1 . . . . . . . . 6468 1 650 . 1 1 180 180 GLU C C 13 174.766 0.1 . 1 . . . . . . . . 6468 1 651 . 1 1 181 181 MET N N 15 119.535 0.1 . 1 . . . . . . . . 6468 1 652 . 1 1 181 181 MET H H 1 8.146 0.02 . 1 . . . . . . . . 6468 1 653 . 1 1 181 181 MET CA C 13 55.466 0.1 . 1 . . . . . . . . 6468 1 654 . 1 1 181 181 MET CB C 13 31.398 0.1 . 1 . . . . . . . . 6468 1 655 . 1 1 181 181 MET C C 13 176.561 0.1 . 1 . . . . . . . . 6468 1 656 . 1 1 182 182 THR N N 15 113.484 0.1 . 1 . . . . . . . . 6468 1 657 . 1 1 182 182 THR H H 1 7.927 0.02 . 1 . . . . . . . . 6468 1 658 . 1 1 182 182 THR CA C 13 61.726 0.1 . 1 . . . . . . . . 6468 1 659 . 1 1 182 182 THR CB C 13 68.877 0.1 . 1 . . . . . . . . 6468 1 660 . 1 1 182 182 THR C C 13 175.232 0.1 . 1 . . . . . . . . 6468 1 661 . 1 1 183 183 GLY N N 15 110.726 0.1 . 1 . . . . . . . . 6468 1 662 . 1 1 183 183 GLY H H 1 8.253 0.02 . 1 . . . . . . . . 6468 1 663 . 1 1 183 183 GLY CA C 13 44.698 0.1 . 1 . . . . . . . . 6468 1 664 . 1 1 183 183 GLY C C 13 173.74 0.1 . 1 . . . . . . . . 6468 1 665 . 1 1 184 184 TYR N N 15 120.401 0.1 . 1 . . . . . . . . 6468 1 666 . 1 1 184 184 TYR H H 1 7.858 0.02 . 1 . . . . . . . . 6468 1 667 . 1 1 184 184 TYR CA C 13 57.478 0.1 . 1 . . . . . . . . 6468 1 668 . 1 1 184 184 TYR CB C 13 37.581 0.1 . 1 . . . . . . . . 6468 1 669 . 1 1 185 185 VAL N N 15 122.618 0.1 . 1 . . . . . . . . 6468 1 670 . 1 1 185 185 VAL H H 1 7.787 0.02 . 1 . . . . . . . . 6468 1 671 . 1 1 185 185 VAL CA C 13 61.651 0.1 . 1 . . . . . . . . 6468 1 672 . 1 1 185 185 VAL CB C 13 40.711 0.1 . 1 . . . . . . . . 6468 1 673 . 1 1 185 185 VAL C C 13 176.536 0.1 . 1 . . . . . . . . 6468 1 674 . 1 1 207 207 ASP C C 13 177.564 0.1 . 1 . . . . . . . . 6468 1 675 . 1 1 208 208 ILE N N 15 118.779 0.1 . 1 . . . . . . . . 6468 1 676 . 1 1 208 208 ILE H H 1 7.305 0.02 . 1 . . . . . . . . 6468 1 677 . 1 1 208 208 ILE CA C 13 60.529 0.1 . 1 . . . . . . . . 6468 1 678 . 1 1 208 208 ILE CB C 13 34.146 0.1 . 1 . . . . . . . . 6468 1 679 . 1 1 208 208 ILE C C 13 177.797 0.1 . 1 . . . . . . . . 6468 1 680 . 1 1 209 209 TRP N N 15 120.459 0.1 . 1 . . . . . . . . 6468 1 681 . 1 1 209 209 TRP H H 1 7.513 0.02 . 1 . . . . . . . . 6468 1 682 . 1 1 209 209 TRP CB C 13 27.581 0.1 . 1 . . . . . . . . 6468 1 683 . 1 1 209 209 TRP C C 13 179.815 0.1 . 1 . . . . . . . . 6468 1 684 . 1 1 210 210 SER N N 15 112.138 0.1 . 1 . . . . . . . . 6468 1 685 . 1 1 210 210 SER H H 1 7.591 0.02 . 1 . . . . . . . . 6468 1 686 . 1 1 210 210 SER CA C 13 60.999 0.1 . 1 . . . . . . . . 6468 1 687 . 1 1 210 210 SER CB C 13 62.771 0.1 . 1 . . . . . . . . 6468 1 688 . 1 1 210 210 SER C C 13 176.27 0.1 . 1 . . . . . . . . 6468 1 689 . 1 1 211 211 VAL N N 15 119.389 0.1 . 1 . . . . . . . . 6468 1 690 . 1 1 211 211 VAL H H 1 8.004 0.02 . 1 . . . . . . . . 6468 1 691 . 1 1 211 211 VAL CA C 13 66.802 0.1 . 1 . . . . . . . . 6468 1 692 . 1 1 211 211 VAL CB C 13 29.642 0.1 . 1 . . . . . . . . 6468 1 693 . 1 1 211 211 VAL C C 13 176.911 0.1 . 1 . . . . . . . . 6468 1 694 . 1 1 212 212 GLY N N 15 109.772 0.1 . 1 . . . . . . . . 6468 1 695 . 1 1 212 212 GLY H H 1 8.515 0.02 . 1 . . . . . . . . 6468 1 696 . 1 1 212 212 GLY CA C 13 47.502 0.1 . 1 . . . . . . . . 6468 1 697 . 1 1 212 212 GLY C C 13 174.276 0.1 . 1 . . . . . . . . 6468 1 698 . 1 1 213 213 CYS N N 15 118.866 0.1 . 1 . . . . . . . . 6468 1 699 . 1 1 213 213 CYS H H 1 7.894 0.02 . 1 . . . . . . . . 6468 1 700 . 1 1 213 213 CYS CA C 13 63.216 0.1 . 1 . . . . . . . . 6468 1 701 . 1 1 213 213 CYS CB C 13 27.2 0.1 . 1 . . . . . . . . 6468 1 702 . 1 1 213 213 CYS C C 13 179.01 0.1 . 1 . . . . . . . . 6468 1 703 . 1 1 214 214 ILE N N 15 123.718 0.1 . 1 . . . . . . . . 6468 1 704 . 1 1 214 214 ILE H H 1 8.44 0.02 . 1 . . . . . . . . 6468 1 705 . 1 1 214 214 ILE CA C 13 65.238 0.1 . 1 . . . . . . . . 6468 1 706 . 1 1 214 214 ILE CB C 13 37.505 0.1 . 1 . . . . . . . . 6468 1 707 . 1 1 214 214 ILE C C 13 176.165 0.1 . 1 . . . . . . . . 6468 1 708 . 1 1 215 215 MET N N 15 120.101 0.1 . 1 . . . . . . . . 6468 1 709 . 1 1 215 215 MET H H 1 9.308 0.02 . 1 . . . . . . . . 6468 1 710 . 1 1 215 215 MET CA C 13 59.695 0.1 . 1 . . . . . . . . 6468 1 711 . 1 1 215 215 MET CB C 13 31.016 0.1 . 1 . . . . . . . . 6468 1 712 . 1 1 215 215 MET C C 13 176.841 0.1 . 1 . . . . . . . . 6468 1 713 . 1 1 216 216 ALA N N 15 117.903 0.1 . 1 . . . . . . . . 6468 1 714 . 1 1 216 216 ALA H H 1 8.159 0.02 . 1 . . . . . . . . 6468 1 715 . 1 1 216 216 ALA CA C 13 54.935 0.1 . 1 . . . . . . . . 6468 1 716 . 1 1 216 216 ALA CB C 13 19.49 0.1 . 1 . . . . . . . . 6468 1 717 . 1 1 216 216 ALA C C 13 178.683 0.1 . 1 . . . . . . . . 6468 1 718 . 1 1 217 217 GLU N N 15 119.396 0.1 . 1 . . . . . . . . 6468 1 719 . 1 1 217 217 GLU H H 1 7.135 0.02 . 1 . . . . . . . . 6468 1 720 . 1 1 217 217 GLU CA C 13 57.152 0.1 . 1 . . . . . . . . 6468 1 721 . 1 1 217 217 GLU CB C 13 28.879 0.1 . 1 . . . . . . . . 6468 1 722 . 1 1 217 217 GLU C C 13 178.742 0.1 . 1 . . . . . . . . 6468 1 723 . 1 1 218 218 LEU N N 15 115.389 0.1 . 1 . . . . . . . . 6468 1 724 . 1 1 218 218 LEU H H 1 7.825 0.02 . 1 . . . . . . . . 6468 1 725 . 1 1 218 218 LEU CA C 13 55.719 0.1 . 1 . . . . . . . . 6468 1 726 . 1 1 218 218 LEU CB C 13 42.161 0.1 . 1 . . . . . . . . 6468 1 727 . 1 1 218 218 LEU C C 13 174.454 0.1 . 1 . . . . . . . . 6468 1 728 . 1 1 219 219 LEU C C 13 179.383 0.1 . 1 . . . . . . . . 6468 1 729 . 1 1 220 220 THR N N 15 105.449 0.1 . 1 . . . . . . . . 6468 1 730 . 1 1 220 220 THR H H 1 7.949 0.02 . 1 . . . . . . . . 6468 1 731 . 1 1 220 220 THR CA C 13 61.726 0.1 . 1 . . . . . . . . 6468 1 732 . 1 1 220 220 THR CB C 13 71.014 0.1 . 1 . . . . . . . . 6468 1 733 . 1 1 220 220 THR C C 13 176.375 0.1 . 1 . . . . . . . . 6468 1 734 . 1 1 221 221 GLY N N 15 112.119 0.1 . 1 . . . . . . . . 6468 1 735 . 1 1 221 221 GLY H H 1 8.434 0.02 . 1 . . . . . . . . 6468 1 736 . 1 1 221 221 GLY CA C 13 44.959 0.1 . 1 . . . . . . . . 6468 1 737 . 1 1 221 221 GLY C C 13 173.309 0.1 . 1 . . . . . . . . 6468 1 738 . 1 1 222 222 ARG N N 15 118.389 0.1 . 1 . . . . . . . . 6468 1 739 . 1 1 222 222 ARG H H 1 8.014 0.02 . 1 . . . . . . . . 6468 1 740 . 1 1 222 222 ARG CA C 13 53.268 0.1 . 1 . . . . . . . . 6468 1 741 . 1 1 222 222 ARG CB C 13 32.045 0.1 . 1 . . . . . . . . 6468 1 742 . 1 1 222 222 ARG C C 13 174.253 0.1 . 1 . . . . . . . . 6468 1 743 . 1 1 223 223 THR N N 15 119.431 0.1 . 1 . . . . . . . . 6468 1 744 . 1 1 223 223 THR H H 1 7.945 0.02 . 1 . . . . . . . . 6468 1 745 . 1 1 223 223 THR CA C 13 62.774 0.1 . 1 . . . . . . . . 6468 1 746 . 1 1 223 223 THR CB C 13 68.233 0.1 . 1 . . . . . . . . 6468 1 747 . 1 1 223 223 THR C C 13 174.299 0.1 . 1 . . . . . . . . 6468 1 748 . 1 1 224 224 LEU N N 15 117.272 0.1 . 1 . . . . . . . . 6468 1 749 . 1 1 224 224 LEU H H 1 7.85 0.02 . 1 . . . . . . . . 6468 1 750 . 1 1 224 224 LEU CA C 13 52.594 0.1 . 1 . . . . . . . . 6468 1 751 . 1 1 224 224 LEU CB C 13 40.56 0.1 . 1 . . . . . . . . 6468 1 752 . 1 1 224 224 LEU C C 13 177.564 0.1 . 1 . . . . . . . . 6468 1 753 . 1 1 225 225 PHE N N 15 129.516 0.1 . 1 . . . . . . . . 6468 1 754 . 1 1 225 225 PHE H H 1 9.417 0.02 . 1 . . . . . . . . 6468 1 755 . 1 1 225 225 PHE CA C 13 62.27 0.1 . 1 . . . . . . . . 6468 1 756 . 1 1 225 225 PHE CB C 13 36.911 0.1 . 1 . . . . . . . . 6468 1 757 . 1 1 226 226 PRO C C 13 176.048 0.1 . 1 . . . . . . . . 6468 1 758 . 1 1 227 227 GLY N N 15 112.977 0.1 . 1 . . . . . . . . 6468 1 759 . 1 1 227 227 GLY H H 1 8.352 0.02 . 1 . . . . . . . . 6468 1 760 . 1 1 227 227 GLY CA C 13 44.763 0.1 . 1 . . . . . . . . 6468 1 761 . 1 1 227 227 GLY C C 13 176.141 0.1 . 1 . . . . . . . . 6468 1 762 . 1 1 228 228 THR N N 15 116.233 0.1 . 1 . . . . . . . . 6468 1 763 . 1 1 228 228 THR H H 1 10.11 0.02 . 1 . . . . . . . . 6468 1 764 . 1 1 228 228 THR CA C 13 63.533 0.1 . 1 . . . . . . . . 6468 1 765 . 1 1 228 228 THR CB C 13 64.052 0.1 . 1 . . . . . . . . 6468 1 766 . 1 1 256 256 SER C C 13 177.331 0.1 . 1 . . . . . . . . 6468 1 767 . 1 1 257 257 ALA N N 15 124.968 0.1 . 1 . . . . . . . . 6468 1 768 . 1 1 257 257 ALA H H 1 7.698 0.02 . 1 . . . . . . . . 6468 1 769 . 1 1 257 257 ALA CA C 13 54.241 0.1 . 1 . . . . . . . . 6468 1 770 . 1 1 257 257 ALA CB C 13 17.981 0.1 . 1 . . . . . . . . 6468 1 771 . 1 1 257 257 ALA C C 13 179.383 0.1 . 1 . . . . . . . . 6468 1 772 . 1 1 260 260 TYR CA C 13 64.812 0.1 . 1 . . . . . . . . 6468 1 773 . 1 1 260 260 TYR CB C 13 37.443 0.1 . 1 . . . . . . . . 6468 1 774 . 1 1 260 260 TYR C C 13 176.421 0.1 . 1 . . . . . . . . 6468 1 775 . 1 1 261 261 ILE N N 15 118.427 0.1 . 1 . . . . . . . . 6468 1 776 . 1 1 261 261 ILE H H 1 7.575 0.02 . 1 . . . . . . . . 6468 1 777 . 1 1 261 261 ILE CA C 13 63.523 0.1 . 1 . . . . . . . . 6468 1 778 . 1 1 261 261 ILE CB C 13 36.607 0.1 . 1 . . . . . . . . 6468 1 779 . 1 1 261 261 ILE C C 13 178.31 0.1 . 1 . . . . . . . . 6468 1 780 . 1 1 262 262 GLN N N 15 117.656 0.1 . 1 . . . . . . . . 6468 1 781 . 1 1 262 262 GLN H H 1 8.111 0.02 . 1 . . . . . . . . 6468 1 782 . 1 1 262 262 GLN CA C 13 57.759 0.1 . 1 . . . . . . . . 6468 1 783 . 1 1 262 262 GLN CB C 13 28.016 0.1 . 1 . . . . . . . . 6468 1 784 . 1 1 262 262 GLN C C 13 176.095 0.1 . 1 . . . . . . . . 6468 1 785 . 1 1 263 263 SER N N 15 113.519 0.1 . 1 . . . . . . . . 6468 1 786 . 1 1 263 263 SER H H 1 7.44 0.02 . 1 . . . . . . . . 6468 1 787 . 1 1 263 263 SER CA C 13 58.657 0.1 . 1 . . . . . . . . 6468 1 788 . 1 1 263 263 SER CB C 13 62.9 0.1 . 1 . . . . . . . . 6468 1 789 . 1 1 263 263 SER C C 13 173.973 0.1 . 1 . . . . . . . . 6468 1 790 . 1 1 264 264 LEU N N 15 122.623 0.1 . 1 . . . . . . . . 6468 1 791 . 1 1 264 264 LEU H H 1 6.962 0.02 . 1 . . . . . . . . 6468 1 792 . 1 1 264 264 LEU CA C 13 53.567 0.1 . 1 . . . . . . . . 6468 1 793 . 1 1 264 264 LEU CB C 13 41.018 0.1 . 1 . . . . . . . . 6468 1 794 . 1 1 264 264 LEU C C 13 177.097 0.1 . 1 . . . . . . . . 6468 1 795 . 1 1 265 265 ALA N N 15 123.726 0.1 . 1 . . . . . . . . 6468 1 796 . 1 1 265 265 ALA H H 1 8.043 0.02 . 1 . . . . . . . . 6468 1 797 . 1 1 265 265 ALA CA C 13 51.846 0.1 . 1 . . . . . . . . 6468 1 798 . 1 1 265 265 ALA CB C 13 17.546 0.1 . 1 . . . . . . . . 6468 1 799 . 1 1 265 265 ALA C C 13 177.261 0.1 . 1 . . . . . . . . 6468 1 800 . 1 1 266 266 GLN N N 15 119.789 0.1 . 1 . . . . . . . . 6468 1 801 . 1 1 266 266 GLN H H 1 8.212 0.02 . 1 . . . . . . . . 6468 1 802 . 1 1 266 266 GLN CA C 13 56.112 0.1 . 1 . . . . . . . . 6468 1 803 . 1 1 266 266 GLN CB C 13 27.162 0.1 . 1 . . . . . . . . 6468 1 804 . 1 1 266 266 GLN C C 13 176.235 0.1 . 1 . . . . . . . . 6468 1 805 . 1 1 267 267 MET N N 15 123.917 0.1 . 1 . . . . . . . . 6468 1 806 . 1 1 267 267 MET H H 1 8.717 0.02 . 1 . . . . . . . . 6468 1 807 . 1 1 267 267 MET CA C 13 51.878 0.1 . 1 . . . . . . . . 6468 1 808 . 1 1 268 268 PRO CA C 13 57.464 0.1 . 1 . . . . . . . . 6468 1 809 . 1 1 268 268 PRO CB C 13 29.185 0.1 . 1 . . . . . . . . 6468 1 810 . 1 1 268 268 PRO C C 13 175.465 0.1 . 1 . . . . . . . . 6468 1 811 . 1 1 269 269 LYS N N 15 120.065 0.1 . 1 . . . . . . . . 6468 1 812 . 1 1 269 269 LYS H H 1 8.268 0.02 . 1 . . . . . . . . 6468 1 813 . 1 1 269 269 LYS CA C 13 56.304 0.1 . 1 . . . . . . . . 6468 1 814 . 1 1 269 269 LYS CB C 13 31.402 0.1 . 1 . . . . . . . . 6468 1 815 . 1 1 269 269 LYS C C 13 177.587 0.1 . 1 . . . . . . . . 6468 1 816 . 1 1 270 270 MET N N 15 125.51 0.1 . 1 . . . . . . . . 6468 1 817 . 1 1 270 270 MET H H 1 8.411 0.02 . 1 . . . . . . . . 6468 1 818 . 1 1 270 270 MET CA C 13 55.522 0.1 . 1 . . . . . . . . 6468 1 819 . 1 1 270 270 MET C C 13 174.183 0.1 . 1 . . . . . . . . 6468 1 820 . 1 1 271 271 ASN N N 15 130.206 0.1 . 1 . . . . . . . . 6468 1 821 . 1 1 271 271 ASN H H 1 8.636 0.02 . 1 . . . . . . . . 6468 1 822 . 1 1 271 271 ASN CA C 13 57.385 0.1 . 1 . . . . . . . . 6468 1 823 . 1 1 271 271 ASN CB C 13 39.958 0.1 . 1 . . . . . . . . 6468 1 824 . 1 1 271 271 ASN C C 13 175.838 0.1 . 1 . . . . . . . . 6468 1 825 . 1 1 272 272 PHE N N 15 113.679 0.1 . 1 . . . . . . . . 6468 1 826 . 1 1 272 272 PHE H H 1 8.564 0.02 . 1 . . . . . . . . 6468 1 827 . 1 1 272 272 PHE CA C 13 51.675 0.1 . 1 . . . . . . . . 6468 1 828 . 1 1 272 272 PHE CB C 13 39.503 0.1 . 1 . . . . . . . . 6468 1 829 . 1 1 272 272 PHE C C 13 177.75 0.1 . 1 . . . . . . . . 6468 1 830 . 1 1 273 273 ALA N N 15 121.809 0.1 . 1 . . . . . . . . 6468 1 831 . 1 1 273 273 ALA H H 1 8.548 0.02 . 1 . . . . . . . . 6468 1 832 . 1 1 273 273 ALA CA C 13 54.087 0.1 . 1 . . . . . . . . 6468 1 833 . 1 1 273 273 ALA CB C 13 16.814 0.1 . 1 . . . . . . . . 6468 1 834 . 1 1 273 273 ALA C C 13 178.322 0.1 . 1 . . . . . . . . 6468 1 835 . 1 1 274 274 ASN N N 15 112.388 0.1 . 1 . . . . . . . . 6468 1 836 . 1 1 274 274 ASN H H 1 7.466 0.02 . 1 . . . . . . . . 6468 1 837 . 1 1 274 274 ASN CA C 13 53.268 0.1 . 1 . . . . . . . . 6468 1 838 . 1 1 274 274 ASN CB C 13 38.004 0.1 . 1 . . . . . . . . 6468 1 839 . 1 1 274 274 ASN C C 13 175.209 0.1 . 1 . . . . . . . . 6468 1 840 . 1 1 275 275 VAL N N 15 119.566 0.1 . 1 . . . . . . . . 6468 1 841 . 1 1 275 275 VAL H H 1 7.207 0.02 . 1 . . . . . . . . 6468 1 842 . 1 1 275 275 VAL CA C 13 63.523 0.1 . 1 . . . . . . . . 6468 1 843 . 1 1 275 275 VAL CB C 13 31.896 0.1 . 1 . . . . . . . . 6468 1 844 . 1 1 275 275 VAL C C 13 176.584 0.1 . 1 . . . . . . . . 6468 1 845 . 1 1 276 276 PHE N N 15 120.239 0.1 . 1 . . . . . . . . 6468 1 846 . 1 1 276 276 PHE H H 1 7.621 0.02 . 1 . . . . . . . . 6468 1 847 . 1 1 276 276 PHE CA C 13 55.391 0.1 . 1 . . . . . . . . 6468 1 848 . 1 1 276 276 PHE CB C 13 36.043 0.1 . 1 . . . . . . . . 6468 1 849 . 1 1 276 276 PHE C C 13 175.349 0.1 . 1 . . . . . . . . 6468 1 850 . 1 1 277 277 ILE N N 15 120.416 0.1 . 1 . . . . . . . . 6468 1 851 . 1 1 277 277 ILE H H 1 6.876 0.02 . 1 . . . . . . . . 6468 1 852 . 1 1 277 277 ILE CA C 13 61.782 0.1 . 1 . . . . . . . . 6468 1 853 . 1 1 277 277 ILE CB C 13 36.345 0.1 . 1 . . . . . . . . 6468 1 854 . 1 1 277 277 ILE C C 13 177.797 0.1 . 1 . . . . . . . . 6468 1 855 . 1 1 278 278 GLY N N 15 115.679 0.1 . 1 . . . . . . . . 6468 1 856 . 1 1 278 278 GLY H H 1 8.992 0.02 . 1 . . . . . . . . 6468 1 857 . 1 1 278 278 GLY CA C 13 44.502 0.1 . 1 . . . . . . . . 6468 1 858 . 1 1 278 278 GLY C C 13 173.833 0.1 . 1 . . . . . . . . 6468 1 859 . 1 1 279 279 ALA N N 15 121.521 0.1 . 1 . . . . . . . . 6468 1 860 . 1 1 279 279 ALA H H 1 7.411 0.02 . 1 . . . . . . . . 6468 1 861 . 1 1 279 279 ALA CA C 13 50.501 0.1 . 1 . . . . . . . . 6468 1 862 . 1 1 279 279 ALA CB C 13 18.775 0.1 . 1 . . . . . . . . 6468 1 863 . 1 1 279 279 ALA C C 13 176.748 0.1 . 1 . . . . . . . . 6468 1 864 . 1 1 280 280 ASN N N 15 121.951 0.1 . 1 . . . . . . . . 6468 1 865 . 1 1 280 280 ASN H H 1 9.091 0.02 . 1 . . . . . . . . 6468 1 866 . 1 1 280 280 ASN CA C 13 50.762 0.1 . 1 . . . . . . . . 6468 1 867 . 1 1 280 280 ASN CB C 13 38.23 0.1 . 1 . . . . . . . . 6468 1 868 . 1 1 280 280 ASN C C 13 176.613 0.1 . 1 . . . . . . . . 6468 1 869 . 1 1 281 281 PRO C C 13 179.919 0.1 . 1 . . . . . . . . 6468 1 870 . 1 1 282 282 LEU N N 15 116.631 0.1 . 1 . . . . . . . . 6468 1 871 . 1 1 282 282 LEU H H 1 8.435 0.02 . 1 . . . . . . . . 6468 1 872 . 1 1 282 282 LEU CA C 13 56.5 0.1 . 1 . . . . . . . . 6468 1 873 . 1 1 282 282 LEU CB C 13 41.699 0.1 . 1 . . . . . . . . 6468 1 874 . 1 1 282 282 LEU C C 13 178.543 0.1 . 1 . . . . . . . . 6468 1 875 . 1 1 283 283 ALA N N 15 120.572 0.1 . 1 . . . . . . . . 6468 1 876 . 1 1 283 283 ALA H H 1 7.114 0.02 . 1 . . . . . . . . 6468 1 877 . 1 1 283 283 ALA CB C 13 16.814 0.1 . 1 . . . . . . . . 6468 1 878 . 1 1 283 283 ALA C C 13 178.796 0.1 . 1 . . . . . . . . 6468 1 879 . 1 1 284 284 VAL N N 15 115.841 0.1 . 1 . . . . . . . . 6468 1 880 . 1 1 284 284 VAL H H 1 7.087 0.02 . 1 . . . . . . . . 6468 1 881 . 1 1 284 284 VAL CA C 13 65.993 0.1 . 1 . . . . . . . . 6468 1 882 . 1 1 284 284 VAL CB C 13 30.661 0.1 . 1 . . . . . . . . 6468 1 883 . 1 1 295 295 SER CA C 13 60.701 0.1 . 1 . . . . . . . . 6468 1 884 . 1 1 295 295 SER CB C 13 62.578 0.1 . 1 . . . . . . . . 6468 1 885 . 1 1 295 295 SER C C 13 176.06 0.1 . 1 . . . . . . . . 6468 1 886 . 1 1 296 296 ASP N N 15 120.389 0.1 . 1 . . . . . . . . 6468 1 887 . 1 1 296 296 ASP H H 1 8.461 0.02 . 1 . . . . . . . . 6468 1 888 . 1 1 296 296 ASP CA C 13 55.76 0.1 . 1 . . . . . . . . 6468 1 889 . 1 1 296 296 ASP CB C 13 39.973 0.1 . 1 . . . . . . . . 6468 1 890 . 1 1 296 296 ASP C C 13 177.144 0.1 . 1 . . . . . . . . 6468 1 891 . 1 1 297 297 LYS N N 15 117.008 0.1 . 1 . . . . . . . . 6468 1 892 . 1 1 297 297 LYS H H 1 7.628 0.02 . 1 . . . . . . . . 6468 1 893 . 1 1 297 297 LYS CA C 13 54.54 0.1 . 1 . . . . . . . . 6468 1 894 . 1 1 297 297 LYS CB C 13 32.838 0.1 . 1 . . . . . . . . 6468 1 895 . 1 1 297 297 LYS C C 13 176.165 0.1 . 1 . . . . . . . . 6468 1 896 . 1 1 298 298 ARG N N 15 122.127 0.1 . 1 . . . . . . . . 6468 1 897 . 1 1 298 298 ARG H H 1 7.063 0.02 . 1 . . . . . . . . 6468 1 898 . 1 1 298 298 ARG CA C 13 56.786 0.1 . 1 . . . . . . . . 6468 1 899 . 1 1 298 298 ARG CB C 13 29.534 0.1 . 1 . . . . . . . . 6468 1 900 . 1 1 298 298 ARG C C 13 174.463 0.1 . 1 . . . . . . . . 6468 1 901 . 1 1 299 299 ILE N N 15 124.579 0.1 . 1 . . . . . . . . 6468 1 902 . 1 1 299 299 ILE H H 1 7.063 0.02 . 1 . . . . . . . . 6468 1 903 . 1 1 299 299 ILE CA C 13 61.586 0.1 . 1 . . . . . . . . 6468 1 904 . 1 1 299 299 ILE CB C 13 38.922 0.1 . 1 . . . . . . . . 6468 1 905 . 1 1 299 299 ILE C C 13 171.828 0.1 . 1 . . . . . . . . 6468 1 906 . 1 1 300 300 THR N N 15 108.773 0.1 . 1 . . . . . . . . 6468 1 907 . 1 1 300 300 THR H H 1 7.376 0.02 . 1 . . . . . . . . 6468 1 908 . 1 1 300 300 THR CA C 13 59.565 0.1 . 1 . . . . . . . . 6468 1 909 . 1 1 300 300 THR CB C 13 70.464 0.1 . 1 . . . . . . . . 6468 1 910 . 1 1 300 300 THR C C 13 175.792 0.1 . 1 . . . . . . . . 6468 1 911 . 1 1 301 301 ALA N N 15 121.649 0.1 . 1 . . . . . . . . 6468 1 912 . 1 1 301 301 ALA H H 1 9.5 0.02 . 1 . . . . . . . . 6468 1 913 . 1 1 301 301 ALA CA C 13 55.652 0.1 . 1 . . . . . . . . 6468 1 914 . 1 1 301 301 ALA CB C 13 15.791 0.1 . 1 . . . . . . . . 6468 1 915 . 1 1 301 301 ALA C C 13 178.59 0.1 . 1 . . . . . . . . 6468 1 916 . 1 1 302 302 ALA N N 15 115.711 0.1 . 1 . . . . . . . . 6468 1 917 . 1 1 302 302 ALA H H 1 8.623 0.02 . 1 . . . . . . . . 6468 1 918 . 1 1 302 302 ALA CA C 13 54.544 0.1 . 1 . . . . . . . . 6468 1 919 . 1 1 302 302 ALA CB C 13 17.593 0.1 . 1 . . . . . . . . 6468 1 920 . 1 1 302 302 ALA C C 13 180.433 0.1 . 1 . . . . . . . . 6468 1 921 . 1 1 303 303 GLN N N 15 115.639 0.1 . 1 . . . . . . . . 6468 1 922 . 1 1 303 303 GLN H H 1 7.413 0.02 . 1 . . . . . . . . 6468 1 923 . 1 1 303 303 GLN CA C 13 57.804 0.1 . 1 . . . . . . . . 6468 1 924 . 1 1 303 303 GLN CB C 13 27.732 0.1 . 1 . . . . . . . . 6468 1 925 . 1 1 303 303 GLN C C 13 179.465 0.1 . 1 . . . . . . . . 6468 1 926 . 1 1 304 304 ALA N N 15 123.389 0.1 . 1 . . . . . . . . 6468 1 927 . 1 1 304 304 ALA H H 1 8.679 0.02 . 1 . . . . . . . . 6468 1 928 . 1 1 304 304 ALA CA C 13 54.348 0.1 . 1 . . . . . . . . 6468 1 929 . 1 1 304 304 ALA CB C 13 18.367 0.1 . 1 . . . . . . . . 6468 1 930 . 1 1 304 304 ALA C C 13 178.8 0.1 . 1 . . . . . . . . 6468 1 931 . 1 1 305 305 LEU N N 15 115.841 0.1 . 1 . . . . . . . . 6468 1 932 . 1 1 305 305 LEU H H 1 7.656 0.02 . 1 . . . . . . . . 6468 1 933 . 1 1 305 305 LEU CA C 13 56.956 0.1 . 1 . . . . . . . . 6468 1 934 . 1 1 305 305 LEU CB C 13 40.88 0.1 . 1 . . . . . . . . 6468 1 935 . 1 1 305 305 LEU C C 13 175.582 0.1 . 1 . . . . . . . . 6468 1 936 . 1 1 306 306 ALA N N 15 114.595 0.1 . 1 . . . . . . . . 6468 1 937 . 1 1 306 306 ALA H H 1 6.603 0.02 . 1 . . . . . . . . 6468 1 938 . 1 1 306 306 ALA CA C 13 50.566 0.1 . 1 . . . . . . . . 6468 1 939 . 1 1 306 306 ALA CB C 13 17.919 0.1 . 1 . . . . . . . . 6468 1 940 . 1 1 306 306 ALA C C 13 176.678 0.1 . 1 . . . . . . . . 6468 1 941 . 1 1 307 307 HIS N N 15 122.225 0.1 . 1 . . . . . . . . 6468 1 942 . 1 1 307 307 HIS H H 1 7.964 0.02 . 1 . . . . . . . . 6468 1 943 . 1 1 307 307 HIS CA C 13 58.195 0.1 . 1 . . . . . . . . 6468 1 944 . 1 1 307 307 HIS CB C 13 31.98 0.1 . 1 . . . . . . . . 6468 1 945 . 1 1 307 307 HIS C C 13 177.191 0.1 . 1 . . . . . . . . 6468 1 946 . 1 1 308 308 ALA N N 15 132.02 0.1 . 1 . . . . . . . . 6468 1 947 . 1 1 308 308 ALA H H 1 8.328 0.02 . 1 . . . . . . . . 6468 1 948 . 1 1 308 308 ALA CA C 13 54.674 0.1 . 1 . . . . . . . . 6468 1 949 . 1 1 308 308 ALA CB C 13 17.919 0.1 . 1 . . . . . . . . 6468 1 950 . 1 1 308 308 ALA C C 13 179.099 0.1 . 1 . . . . . . . . 6468 1 951 . 1 1 309 309 TYR N N 15 124.614 0.1 . 1 . . . . . . . . 6468 1 952 . 1 1 309 309 TYR H H 1 11.641 0.02 . 1 . . . . . . . . 6468 1 953 . 1 1 309 309 TYR CA C 13 59.499 0.1 . 1 . . . . . . . . 6468 1 954 . 1 1 309 309 TYR CB C 13 37.963 0.1 . 1 . . . . . . . . 6468 1 955 . 1 1 309 309 TYR C C 13 179.23 0.1 . 1 . . . . . . . . 6468 1 956 . 1 1 310 310 PHE N N 15 109.984 0.1 . 1 . . . . . . . . 6468 1 957 . 1 1 310 310 PHE H H 1 7.669 0.02 . 1 . . . . . . . . 6468 1 958 . 1 1 310 310 PHE CA C 13 55.391 0.1 . 1 . . . . . . . . 6468 1 959 . 1 1 310 310 PHE CB C 13 37.963 0.1 . 1 . . . . . . . . 6468 1 960 . 1 1 310 310 PHE C C 13 176.771 0.1 . 1 . . . . . . . . 6468 1 961 . 1 1 311 311 ALA N N 15 123.091 0.1 . 1 . . . . . . . . 6468 1 962 . 1 1 311 311 ALA H H 1 7.533 0.02 . 1 . . . . . . . . 6468 1 963 . 1 1 311 311 ALA CA C 13 55.326 0.1 . 1 . . . . . . . . 6468 1 964 . 1 1 311 311 ALA CB C 13 17.993 0.1 . 1 . . . . . . . . 6468 1 965 . 1 1 311 311 ALA C C 13 178.893 0.1 . 1 . . . . . . . . 6468 1 966 . 1 1 312 312 GLN N N 15 113.508 0.1 . 1 . . . . . . . . 6468 1 967 . 1 1 312 312 GLN H H 1 8.658 0.02 . 1 . . . . . . . . 6468 1 968 . 1 1 312 312 GLN CA C 13 56.63 0.1 . 1 . . . . . . . . 6468 1 969 . 1 1 312 312 GLN CB C 13 27.343 0.1 . 1 . . . . . . . . 6468 1 970 . 1 1 312 312 GLN C C 13 175.209 0.1 . 1 . . . . . . . . 6468 1 971 . 1 1 313 313 TYR N N 15 115.476 0.1 . 1 . . . . . . . . 6468 1 972 . 1 1 313 313 TYR H H 1 7.476 0.02 . 1 . . . . . . . . 6468 1 973 . 1 1 313 313 TYR CA C 13 57.984 0.1 . 1 . . . . . . . . 6468 1 974 . 1 1 313 313 TYR CB C 13 39.459 0.1 . 1 . . . . . . . . 6468 1 975 . 1 1 314 314 HIS CA C 13 59.062 0.1 . 1 . . . . . . . . 6468 1 976 . 1 1 314 314 HIS CB C 13 29.491 0.1 . 1 . . . . . . . . 6468 1 977 . 1 1 314 314 HIS C C 13 176.071 0.1 . 1 . . . . . . . . 6468 1 978 . 1 1 315 315 ASP N N 15 126.371 0.1 . 1 . . . . . . . . 6468 1 979 . 1 1 315 315 ASP H H 1 10.091 0.02 . 1 . . . . . . . . 6468 1 980 . 1 1 315 315 ASP CA C 13 52.196 0.1 . 1 . . . . . . . . 6468 1 981 . 1 1 315 315 ASP CB C 13 41.334 0.1 . 1 . . . . . . . . 6468 1 982 . 1 1 316 316 PRO CA C 13 63.456 0.1 . 1 . . . . . . . . 6468 1 983 . 1 1 316 316 PRO CB C 13 31.055 0.1 . 1 . . . . . . . . 6468 1 984 . 1 1 316 316 PRO C C 13 177.914 0.1 . 1 . . . . . . . . 6468 1 985 . 1 1 317 317 ASP N N 15 116.949 0.1 . 1 . . . . . . . . 6468 1 986 . 1 1 317 317 ASP H H 1 7.963 0.02 . 1 . . . . . . . . 6468 1 987 . 1 1 317 317 ASP CA C 13 54.989 0.1 . 1 . . . . . . . . 6468 1 988 . 1 1 317 317 ASP CB C 13 39.844 0.1 . 1 . . . . . . . . 6468 1 989 . 1 1 317 317 ASP C C 13 175.698 0.1 . 1 . . . . . . . . 6468 1 990 . 1 1 318 318 ASP N N 15 120.678 0.1 . 1 . . . . . . . . 6468 1 991 . 1 1 318 318 ASP H H 1 8.014 0.02 . 1 . . . . . . . . 6468 1 992 . 1 1 318 318 ASP CA C 13 52.22 0.1 . 1 . . . . . . . . 6468 1 993 . 1 1 318 318 ASP CB C 13 41.483 0.1 . 1 . . . . . . . . 6468 1 994 . 1 1 318 318 ASP C C 13 175.652 0.1 . 1 . . . . . . . . 6468 1 995 . 1 1 319 319 GLU N N 15 120.863 0.1 . 1 . . . . . . . . 6468 1 996 . 1 1 319 319 GLU H H 1 7.755 0.02 . 1 . . . . . . . . 6468 1 997 . 1 1 319 319 GLU CA C 13 52.894 0.1 . 1 . . . . . . . . 6468 1 998 . 1 1 319 319 GLU CB C 13 28.746 0.1 . 1 . . . . . . . . 6468 1 999 . 1 1 319 319 GLU C C 13 172.733 0.1 . 1 . . . . . . . . 6468 1 1000 . 1 1 320 320 PRO CA C 13 62.711 0.1 . 1 . . . . . . . . 6468 1 1001 . 1 1 320 320 PRO CB C 13 33.215 0.1 . 1 . . . . . . . . 6468 1 1002 . 1 1 320 320 PRO C C 13 177.051 0.1 . 1 . . . . . . . . 6468 1 1003 . 1 1 321 321 VAL N N 15 108.69 0.1 . 1 . . . . . . . . 6468 1 1004 . 1 1 321 321 VAL H H 1 7.847 0.02 . 1 . . . . . . . . 6468 1 1005 . 1 1 321 321 VAL CA C 13 58.874 0.1 . 1 . . . . . . . . 6468 1 1006 . 1 1 321 321 VAL CB C 13 32.992 0.1 . 1 . . . . . . . . 6468 1 1007 . 1 1 321 321 VAL C C 13 174.906 0.1 . 1 . . . . . . . . 6468 1 1008 . 1 1 322 322 ALA N N 15 123.07 0.1 . 1 . . . . . . . . 6468 1 1009 . 1 1 322 322 ALA H H 1 8.44 0.02 . 1 . . . . . . . . 6468 1 1010 . 1 1 322 322 ALA CA C 13 50.371 0.1 . 1 . . . . . . . . 6468 1 1011 . 1 1 322 322 ALA C C 13 178.095 0.1 . 1 . . . . . . . . 6468 1 1012 . 1 1 323 323 ASP N N 15 120.389 0.1 . 1 . . . . . . . . 6468 1 1013 . 1 1 323 323 ASP H H 1 8.067 0.02 . 1 . . . . . . . . 6468 1 1014 . 1 1 323 323 ASP CA C 13 52.692 0.1 . 1 . . . . . . . . 6468 1 1015 . 1 1 323 323 ASP CB C 13 38.727 0.1 . 1 . . . . . . . . 6468 1 1016 . 1 1 323 323 ASP C C 13 174.067 0.1 . 1 . . . . . . . . 6468 1 1017 . 1 1 328 328 SER C C 13 176.654 0.1 . 1 . . . . . . . . 6468 1 1018 . 1 1 329 329 PHE N N 15 118.438 0.1 . 1 . . . . . . . . 6468 1 1019 . 1 1 329 329 PHE H H 1 7.822 0.02 . 1 . . . . . . . . 6468 1 1020 . 1 1 329 329 PHE CA C 13 58.957 0.1 . 1 . . . . . . . . 6468 1 1021 . 1 1 329 329 PHE CB C 13 37.759 0.1 . 1 . . . . . . . . 6468 1 1022 . 1 1 330 330 GLU C C 13 178.357 0.1 . 1 . . . . . . . . 6468 1 1023 . 1 1 331 331 SER N N 15 111.422 0.1 . 1 . . . . . . . . 6468 1 1024 . 1 1 331 331 SER H H 1 7.448 0.02 . 1 . . . . . . . . 6468 1 1025 . 1 1 331 331 SER CA C 13 57.478 0.1 . 1 . . . . . . . . 6468 1 1026 . 1 1 331 331 SER CB C 13 62.935 0.1 . 1 . . . . . . . . 6468 1 1027 . 1 1 331 331 SER C C 13 174.206 0.1 . 1 . . . . . . . . 6468 1 1028 . 1 1 332 332 ARG N N 15 121.325 0.1 . 1 . . . . . . . . 6468 1 1029 . 1 1 332 332 ARG H H 1 7.6 0.02 . 1 . . . . . . . . 6468 1 1030 . 1 1 332 332 ARG CA C 13 55.652 0.1 . 1 . . . . . . . . 6468 1 1031 . 1 1 332 332 ARG CB C 13 30.236 0.1 . 1 . . . . . . . . 6468 1 1032 . 1 1 332 332 ARG C C 13 174.976 0.1 . 1 . . . . . . . . 6468 1 1033 . 1 1 333 333 ASP N N 15 124.225 0.1 . 1 . . . . . . . . 6468 1 1034 . 1 1 333 333 ASP H H 1 8.569 0.02 . 1 . . . . . . . . 6468 1 1035 . 1 1 333 333 ASP CA C 13 52.588 0.1 . 1 . . . . . . . . 6468 1 1036 . 1 1 333 333 ASP CB C 13 40.142 0.1 . 1 . . . . . . . . 6468 1 1037 . 1 1 333 333 ASP C C 13 174.159 0.1 . 1 . . . . . . . . 6468 1 1038 . 1 1 334 334 LEU N N 15 122.56 0.1 . 1 . . . . . . . . 6468 1 1039 . 1 1 334 334 LEU H H 1 7.805 0.02 . 1 . . . . . . . . 6468 1 1040 . 1 1 334 334 LEU CA C 13 52.327 0.1 . 1 . . . . . . . . 6468 1 1041 . 1 1 334 334 LEU CB C 13 40.962 0.1 . 1 . . . . . . . . 6468 1 1042 . 1 1 334 334 LEU C C 13 176.841 0.1 . 1 . . . . . . . . 6468 1 1043 . 1 1 335 335 LEU N N 15 119.306 0.1 . 1 . . . . . . . . 6468 1 1044 . 1 1 335 335 LEU H H 1 8.778 0.02 . 1 . . . . . . . . 6468 1 1045 . 1 1 335 335 LEU CA C 13 53.566 0.1 . 1 . . . . . . . . 6468 1 1046 . 1 1 335 335 LEU CB C 13 41.26 0.1 . 1 . . . . . . . . 6468 1 1047 . 1 1 335 335 LEU C C 13 179.616 0.1 . 1 . . . . . . . . 6468 1 1048 . 1 1 336 336 ILE N N 15 121.171 0.1 . 1 . . . . . . . . 6468 1 1049 . 1 1 336 336 ILE H H 1 8.968 0.02 . 1 . . . . . . . . 6468 1 1050 . 1 1 336 336 ILE CA C 13 66.15 0.1 . 1 . . . . . . . . 6468 1 1051 . 1 1 336 336 ILE CB C 13 36.939 0.1 . 1 . . . . . . . . 6468 1 1052 . 1 1 336 336 ILE C C 13 177.307 0.1 . 1 . . . . . . . . 6468 1 1053 . 1 1 337 337 ASP N N 15 115.238 0.1 . 1 . . . . . . . . 6468 1 1054 . 1 1 337 337 ASP H H 1 8.385 0.02 . 1 . . . . . . . . 6468 1 1055 . 1 1 337 337 ASP CA C 13 56.761 0.1 . 1 . . . . . . . . 6468 1 1056 . 1 1 337 337 ASP CB C 13 39.249 0.1 . 1 . . . . . . . . 6468 1 1057 . 1 1 337 337 ASP C C 13 178.753 0.1 . 1 . . . . . . . . 6468 1 1058 . 1 1 338 338 GLU N N 15 119.998 0.1 . 1 . . . . . . . . 6468 1 1059 . 1 1 338 338 GLU H H 1 7.112 0.02 . 1 . . . . . . . . 6468 1 1060 . 1 1 338 338 GLU CA C 13 58 0.1 . 1 . . . . . . . . 6468 1 1061 . 1 1 338 338 GLU CB C 13 29.118 0.1 . 1 . . . . . . . . 6468 1 1062 . 1 1 338 338 GLU C C 13 178.986 0.1 . 1 . . . . . . . . 6468 1 1063 . 1 1 339 339 TRP N N 15 119.2 0.1 . 1 . . . . . . . . 6468 1 1064 . 1 1 339 339 TRP H H 1 7.713 0.02 . 1 . . . . . . . . 6468 1 1065 . 1 1 339 339 TRP CA C 13 59.481 0.1 . 1 . . . . . . . . 6468 1 1066 . 1 1 339 339 TRP CB C 13 30.14 0.1 . 1 . . . . . . . . 6468 1 1067 . 1 1 339 339 TRP C C 13 180.502 0.1 . 1 . . . . . . . . 6468 1 1068 . 1 1 340 340 LYS N N 15 120.913 0.1 . 1 . . . . . . . . 6468 1 1069 . 1 1 340 340 LYS H H 1 8.747 0.02 . 1 . . . . . . . . 6468 1 1070 . 1 1 340 340 LYS CA C 13 59.695 0.1 . 1 . . . . . . . . 6468 1 1071 . 1 1 340 340 LYS CB C 13 31.401 0.1 . 1 . . . . . . . . 6468 1 1072 . 1 1 340 340 LYS C C 13 177.377 0.1 . 1 . . . . . . . . 6468 1 1073 . 1 1 341 341 SER N N 15 114.061 0.1 . 1 . . . . . . . . 6468 1 1074 . 1 1 341 341 SER H H 1 7.63 0.02 . 1 . . . . . . . . 6468 1 1075 . 1 1 341 341 SER CA C 13 60.304 0.1 . 1 . . . . . . . . 6468 1 1076 . 1 1 341 341 SER CB C 13 61.888 0.1 . 1 . . . . . . . . 6468 1 1077 . 1 1 341 341 SER C C 13 177.996 0.1 . 1 . . . . . . . . 6468 1 1078 . 1 1 342 342 LEU N N 15 119.889 0.1 . 1 . . . . . . . . 6468 1 1079 . 1 1 342 342 LEU H H 1 7.939 0.02 . 1 . . . . . . . . 6468 1 1080 . 1 1 342 342 LEU CA C 13 57.253 0.1 . 1 . . . . . . . . 6468 1 1081 . 1 1 342 342 LEU CB C 13 41.192 0.1 . 1 . . . . . . . . 6468 1 1082 . 1 1 343 343 THR C C 13 175.512 0.1 . 1 . . . . . . . . 6468 1 1083 . 1 1 344 344 TYR N N 15 124.222 0.1 . 1 . . . . . . . . 6468 1 1084 . 1 1 344 344 TYR H H 1 8.819 0.02 . 1 . . . . . . . . 6468 1 1085 . 1 1 344 344 TYR CA C 13 61.39 0.1 . 1 . . . . . . . . 6468 1 1086 . 1 1 344 344 TYR CB C 13 37.112 0.1 . 1 . . . . . . . . 6468 1 1087 . 1 1 344 344 TYR C C 13 181.3 0.1 . 1 . . . . . . . . 6468 1 1088 . 1 1 345 345 ASP N N 15 116.639 0.1 . 1 . . . . . . . . 6468 1 1089 . 1 1 345 345 ASP H H 1 8.068 0.02 . 1 . . . . . . . . 6468 1 1090 . 1 1 345 345 ASP CA C 13 56.636 0.1 . 1 . . . . . . . . 6468 1 1091 . 1 1 345 345 ASP CB C 13 39.354 0.1 . 1 . . . . . . . . 6468 1 1092 . 1 1 345 345 ASP C C 13 179.709 0.1 . 1 . . . . . . . . 6468 1 1093 . 1 1 346 346 GLU N N 15 117.679 0.1 . 1 . . . . . . . . 6468 1 1094 . 1 1 346 346 GLU H H 1 7.491 0.02 . 1 . . . . . . . . 6468 1 1095 . 1 1 346 346 GLU CA C 13 57.348 0.1 . 1 . . . . . . . . 6468 1 1096 . 1 1 346 346 GLU CB C 13 28.643 0.1 . 1 . . . . . . . . 6468 1 1097 . 1 1 346 346 GLU C C 13 178.79 0.1 . 1 . . . . . . . . 6468 1 1098 . 1 1 347 347 VAL N N 15 120.323 0.1 . 1 . . . . . . . . 6468 1 1099 . 1 1 347 347 VAL H H 1 8.077 0.02 . 1 . . . . . . . . 6468 1 1100 . 1 1 347 347 VAL CA C 13 65.433 0.1 . 1 . . . . . . . . 6468 1 1101 . 1 1 347 347 VAL CB C 13 30.637 0.1 . 1 . . . . . . . . 6468 1 1102 . 1 1 347 347 VAL C C 13 178.543 0.1 . 1 . . . . . . . . 6468 1 1103 . 1 1 348 348 ILE N N 15 113.955 0.1 . 1 . . . . . . . . 6468 1 1104 . 1 1 348 348 ILE H H 1 8.087 0.02 . 1 . . . . . . . . 6468 1 1105 . 1 1 348 348 ILE CA C 13 62.27 0.1 . 1 . . . . . . . . 6468 1 1106 . 1 1 348 348 ILE CB C 13 36.03 0.1 . 1 . . . . . . . . 6468 1 1107 . 1 1 348 348 ILE C C 13 177.494 0.1 . 1 . . . . . . . . 6468 1 1108 . 1 1 349 349 SER N N 15 112.848 0.1 . 1 . . . . . . . . 6468 1 1109 . 1 1 349 349 SER H H 1 7.402 0.02 . 1 . . . . . . . . 6468 1 1110 . 1 1 349 349 SER CA C 13 57.608 0.1 . 1 . . . . . . . . 6468 1 1111 . 1 1 349 349 SER CB C 13 63.14 0.1 . 1 . . . . . . . . 6468 1 1112 . 1 1 349 349 SER C C 13 176.89 0.1 . 1 . . . . . . . . 6468 1 1113 . 1 1 350 350 PHE N N 15 124.358 0.1 . 1 . . . . . . . . 6468 1 1114 . 1 1 350 350 PHE H H 1 7.29 0.02 . 1 . . . . . . . . 6468 1 1115 . 1 1 350 350 PHE CA C 13 59.825 0.1 . 1 . . . . . . . . 6468 1 1116 . 1 1 350 350 PHE CB C 13 38.984 0.1 . 1 . . . . . . . . 6468 1 1117 . 1 1 350 350 PHE C C 13 173.833 0.1 . 1 . . . . . . . . 6468 1 1118 . 1 1 351 351 VAL N N 15 129.601 0.1 . 1 . . . . . . . . 6468 1 1119 . 1 1 351 351 VAL H H 1 6.899 0.02 . 1 . . . . . . . . 6468 1 1120 . 1 1 351 351 VAL CA C 13 62.955 0.1 . 1 . . . . . . . . 6468 1 1121 . 1 1 351 351 VAL CB C 13 32.927 0.1 . 1 . . . . . . . . 6468 1 1122 . 1 1 351 351 VAL C C 13 179.328 0.1 . 1 . . . . . . . . 6468 1 stop_ save_