data_17384 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17384 _Entry.Title ; Backbone Assignment of the Tyrosine Kinase Src Catalytic Domain in Complex with Imatinib. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-28 _Entry.Accession_date 2010-12-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone Assignment of the Tyrosine Kinase Src Catalytic Domain in Complex with Imatinib.' _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 Ramon Campos-Olivas . . Sr. 17384 2 Marco Marenchino . . Sr. 17384 3 Francesco Gervasio . L. Sr. 17384 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17384 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 685 17384 '15N chemical shifts' 215 17384 '1H chemical shifts' 215 17384 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-09 2010-12-28 update BMRB 'update entry citation' 17384 1 . . 2011-05-04 2010-12-28 original author 'original release' 17384 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2OIQ 'crystal structure of SrcKD in complex with Imatinib' 17384 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17384 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21523440 _Citation.Full_citation . _Citation.Title 'Backbone assignment of the tyrosine kinase Src catalytic domain in complex with imatinib.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _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 221 _Citation.Page_last 224 _Citation.Year 2011 _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 Ramon Campos-Olivas . . . 17384 1 2 Marco Marenchino . . . 17384 1 3 Leonardo Scapozza . . . 17384 1 4 Francesco Gervasio . L. . 17384 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Src NMR Assignment' 17384 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17384 _Assembly.ID 1 _Assembly.Name 'Complex SrcKD with Imatinib' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 33183.2 _Assembly.Enzyme_commission_number 2.7.10.2 _Assembly.Details ; Tyrosine Kinase Src Catalytic Domain in Complex with Imatinib. Imatinib/Gleevec is an Abl kinase inhibitor used for the treatment of Chronic Myeologenous Leukemia and some Gastro Intestinal Stroma Tumors. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Src Kinase Domain' 1 $SrcKD A . yes native no no . receptor/enzyme . 17384 1 2 Imatinib/Gleevec 2 $STI A . no native no no . ligand/inhibitor . 17384 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2OIQ . . X-ray 2.0 'same protein and ligand' . 17384 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SrcKD _Entity.Sf_category entity _Entity.Sf_framecode SrcKD _Entity.Entry_ID 17384 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SrcKD _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 ; GHMQTQGLAKDAWEIPRESL RLEVKLGQGCFGEVWMGTWN GTTRVAIKTLKPGTMSPEAF LQEAQVMKKLRHEKLVQLYA VVSEEPIYIVTEYMSKGSLL DFLKGEMGKYLRLPQLVDMA AQIASGMAYVERMNYVHRDL RAANILVGENLVCKVADFGL ARLIEDNEYTARQGAKFPIK WTAPEAALYGRFTIKSDVWS FGILLTELTTKGRVPYPGMV NREVLDQVERGYRMPCPPEC PESLHDLMCQCWRKDPEERP TFEYLQAFLEDYFTSTEPQY QPGENL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -3 G -2 H -1 M 251 Q 252 T 253 Q ... ... 533 L ; _Entity.Polymer_author_seq_details ; Residues -3 to -1 represent a non-native tag. Residues 251 to 533 correspond to the Src kinase catalytic domain ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 286 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1FMK . "Crystal Structure Of Human Tyrosine-Protein Kinase C-Src" . . . . . 98.95 452 98.94 99.29 0.00e+00 . . . . 17384 1 2 no PDB 1KSW . "Structure Of Human C-Src Tyrosine Kinase (Thr338gly Mutant) In Complex With N6-Benzyl Adp" . . . . . 98.95 452 98.59 98.94 0.00e+00 . . . . 17384 1 3 no PDB 1Y57 . "Structure Of Unphosphorylated C-Src In Complex With An Inhibitor" . . . . . 98.95 452 99.29 99.65 0.00e+00 . . . . 17384 1 4 no PDB 1YI6 . "C-Term Tail Segment Of Human Tyrosine Kinase (258-533)" . . . . . 96.50 276 98.55 98.91 0.00e+00 . . . . 17384 1 5 no PDB 1YOJ . "Crystal Structure Of Src Kinase Domain" . . . . . 98.95 283 98.23 99.65 0.00e+00 . . . . 17384 1 6 no PDB 1YOL . "Crystal Structure Of Src Kinase Domain In Complex With Cgp77675" . . . . . 98.95 283 98.59 99.65 0.00e+00 . . . . 17384 1 7 no PDB 1YOM . "Crystal Structure Of Src Kinase Domain In Complex With Purvalanol A" . . . . . 98.95 283 98.23 99.65 0.00e+00 . . . . 17384 1 8 no PDB 2BDF . "Src Kinase In Complex With Inhibitor Ap23451" . . . . . 97.55 279 99.28 99.64 0.00e+00 . . . . 17384 1 9 no PDB 2BDJ . "Src Kinase In Complex With Inhibitor Ap23464" . . . . . 97.55 279 99.28 99.64 0.00e+00 . . . . 17384 1 10 no PDB 2H8H . "Src Kinase In Complex With A Quinazoline Inhibitor" . . . . . 98.95 535 98.94 99.29 0.00e+00 . . . . 17384 1 11 no PDB 2HWO . "Crystal Structure Of Src Kinase Domain In Complex With Covalent Inhibitor" . . . . . 100.00 286 99.65 99.65 0.00e+00 . . . . 17384 1 12 no PDB 2HWP . "Crystal Structure Of Src Kinase Domain In Complex With Covalent Inhibitor Pd168393" . . . . . 100.00 286 99.65 99.65 0.00e+00 . . . . 17384 1 13 no PDB 2OIQ . "Crystal Structure Of Chicken C-Src Kinase Domain In Complex With The Cancer Drug Imatinib." . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 14 no PDB 2PTK . "Chicken Src Tyrosine Kinase" . . . . . 98.95 453 98.94 98.94 0.00e+00 . . . . 17384 1 15 no PDB 2QI8 . "Crystal Structure Of Drug Resistant Src Kinase Domain" . . . . . 100.00 286 99.30 99.30 0.00e+00 . . . . 17384 1 16 no PDB 2QLQ . "Crystal Structure Of Src Kinase Domain With Covalent Inhibitor Rl3" . . . . . 100.00 286 99.65 99.65 0.00e+00 . . . . 17384 1 17 no PDB 2QQ7 . "Crystal Structure Of Drug Resistant Src Kinase Domain With Irreversible Inhibitor" . . . . . 100.00 286 99.30 99.30 0.00e+00 . . . . 17384 1 18 no PDB 2SRC . "Crystal Structure Of Human Tyrosine-protein Kinase C-src, In Complex With Amp-pnp" . . . . . 98.95 452 98.94 99.29 0.00e+00 . . . . 17384 1 19 no PDB 3D7T . "Structural Basis For The Recognition Of C-Src By Its Inactivator Csk" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 20 no PDB 3D7U . "Structural Basis For The Recognition Of C-src By Its Inactivator Csk" . . . . . 96.85 277 100.00 100.00 0.00e+00 . . . . 17384 1 21 no PDB 3DQW . "C-Src Kinase Domain Thr338ile Mutant In Complex With Atpgs" . . . . . 100.00 286 99.30 99.30 0.00e+00 . . . . 17384 1 22 no PDB 3DQX . "Chicken C-Src Kinase Domain In Complex With Atpgs" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 23 no PDB 3EL7 . "Crystal Structure Of C-Src In Complex With Pyrazolopyrimidine 3" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 24 no PDB 3EL8 . "Crystal Structure Of C-Src In Complex With Pyrazolopyrimidine 5" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 25 no PDB 3EN4 . "Targeted Polypharmacology: Crystal Structure Of The C-Src Kinase Domain In Complex With Pp121, A Multitargeted Kinase Inhibitor" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 26 no PDB 3EN5 . "Targeted Polypharmacology: Crystal Structure Of The C-Src Kinase Domain In Complex With Pp494, A Multitargeted Kinase Inhibitor" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 27 no PDB 3EN6 . "Targeted Polypharmacology: Crystal Structure Of The C-Src Kinase Domain In Complex With Pp102, A Multitargeted Kinase Inhibitor" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 28 no PDB 3EN7 . "Targeted Polypharmacology: Crystal Structure Of The C-Src Kinase Domain In Complex With S1, A Multitargeted Kinase Inhibitor" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 29 no PDB 3F3T . "Kinase Domain Of Csrc In Complex With Inhibitor Rl38 (Type Iii)" . . . . . 100.00 286 99.65 99.65 0.00e+00 . . . . 17384 1 30 no PDB 3F3U . "Kinase Domain Of Csrc In Complex With Inhibitor Rl37 (Type Iii)" . . . . . 100.00 286 99.65 99.65 0.00e+00 . . . . 17384 1 31 no PDB 3F3V . "Kinase Domain Of Csrc In Complex With Inhibitor Rl45 (Type Ii)" . . . . . 100.00 286 99.65 99.65 0.00e+00 . . . . 17384 1 32 no PDB 3F3W . "Drug Resistant Csrc Kinase Domain In Complex With Inhibitor Rl45 (Type Ii)" . . . . . 100.00 286 99.30 99.30 0.00e+00 . . . . 17384 1 33 no PDB 3F6X . "C-Src Kinase Domain In Complex With Small Molecule Inhibitor" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 34 no PDB 3G5D . "Kinase Domain Of Csrc In Complex With Dasatinib" . . . . . 100.00 286 99.65 99.65 0.00e+00 . . . . 17384 1 35 no PDB 3G6G . "Equally Potent Inhibition Of C-Src And Abl By Compounds That Recognize Inactive Kinase Conformations" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 36 no PDB 3G6H . "Src Thr338ile Inhibited In The Dfg-Asp-Out Conformation" . . . . . 100.00 286 99.65 99.65 0.00e+00 . . . . 17384 1 37 no PDB 3GEQ . "Structural Basis For The Chemical Rescue Of Src Kinase Activity" . . . . . 100.00 286 99.65 99.65 0.00e+00 . . . . 17384 1 38 no PDB 3LOK . "Drug Resistant Csrc Kinase Domain In Complex With Covalent Inhibitor Pd168393" . . . . . 100.00 286 99.30 99.30 0.00e+00 . . . . 17384 1 39 no PDB 3OEZ . "Crystal Structure Of The L317i Mutant Of The Chicken C-Src Tyrosine Kinase Domain Complexed With Imatinib" . . . . . 100.00 286 99.65 100.00 0.00e+00 . . . . 17384 1 40 no PDB 3OF0 . "Crystal Structure Of The L317i Mutant Of The Chicken C-Src Tyrosine Kinase Domain" . . . . . 100.00 286 99.65 100.00 0.00e+00 . . . . 17384 1 41 no PDB 3QLF . "Crystal Structure Of The L317i Mutant Of The C-Src Tyrosine Kinase Domain Complexed With Pyrazolopyrimidine 5" . . . . . 100.00 286 99.65 100.00 0.00e+00 . . . . 17384 1 42 no PDB 3QLG . "Crystal Structure Of The L317i Mutant Of The C-Src Tyrosine Kinase Domain Complexed With Dasatinib" . . . . . 100.00 286 99.65 100.00 0.00e+00 . . . . 17384 1 43 no PDB 3SVV . "Crystal Structure Of T338c C-Src Covalently Bound To Vinylsulfonamide- Pyrazolopyrimidine 9" . . . . . 100.00 286 99.65 99.65 0.00e+00 . . . . 17384 1 44 no PDB 3TZ7 . "Kinase Domain Of Csrc In Complex With Rl103" . . . . . 100.00 286 99.65 99.65 0.00e+00 . . . . 17384 1 45 no PDB 3TZ8 . "Kinase Domain Of Csrc In Complex With Rl104" . . . . . 100.00 286 99.65 99.65 0.00e+00 . . . . 17384 1 46 no PDB 3TZ9 . "Kinase Domain Of Csrc In Complex With Rl130" . . . . . 100.00 286 99.65 99.65 0.00e+00 . . . . 17384 1 47 no PDB 3U4W . "Src In Complex With Dna-Templated Macrocyclic Inhibitor Mc4b" . . . . . 96.15 275 100.00 100.00 0.00e+00 . . . . 17384 1 48 no PDB 3U51 . "Src In Complex With Dna-Templated Macrocyclic Inhibitor Mc1" . . . . . 96.15 275 100.00 100.00 0.00e+00 . . . . 17384 1 49 no PDB 3UQF . "C-Src Kinase Domain In Complex With Bki Rm-1-89" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 50 no PDB 3UQG . "C-Src Kinase Domain In Complex With Bumpless Bki Analog Uw1243" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 51 no PDB 4AGW . "Discovery Of A Small Molecule Type Ii Inhibitor Of Wild- Type And Gatekeeper Mutants Of Bcr-Abl, Pdgfralpha, Kit, And Src Kinas" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 52 no PDB 4DGG . "C-Src Kinase Domain In Complex With Rm-1-176" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 53 no PDB 4FIC . "Kinase Domain Of Csrc In Complex With A Hinge Region-binding Fragment" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 54 no PDB 4K11 . "The Structure Of 1na In Complex With Src T338g" . . . . . 98.25 448 98.58 98.93 0.00e+00 . . . . 17384 1 55 no PDB 4LGG . "Structure Of 3mb-pp1 Bound To Analog-sensitive Src Kinase" . . . . . 94.41 270 99.63 99.63 0.00e+00 . . . . 17384 1 56 no PDB 4LGH . "Crystal Structure Of 1nm-pp1 Bound To Analog-sensitive Src Kinase" . . . . . 96.85 277 99.64 99.64 0.00e+00 . . . . 17384 1 57 no PDB 4MCV . "Star 12 Bound To Analog-sensitive Src Kinase" . . . . . 97.20 278 99.64 99.64 0.00e+00 . . . . 17384 1 58 no PDB 4MXO . "Human Src Kinase Bound To Kinase Inhibitor Bosutinib" . . . . . 100.00 286 99.30 99.65 0.00e+00 . . . . 17384 1 59 no PDB 4MXX . "Human Src A403t Mutant Bound To Kinase Inhibitor Bosutinib" . . . . . 100.00 286 98.95 99.30 0.00e+00 . . . . 17384 1 60 no PDB 4MXY . "Src M314l T338m Double Mutant Bound To Kinase Inhibitor Bosutinib" . . . . . 100.00 286 98.60 99.30 0.00e+00 . . . . 17384 1 61 no PDB 4MXZ . "Src M314l T338m Double Mutant Bound To Kinase Inhibitor Bosutinib" . . . . . 100.00 286 98.60 99.30 0.00e+00 . . . . 17384 1 62 no PDB 4O2P . "Kinase Domain Of Csrc In Complex With A Substituted Pyrazolopyrimidine" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 63 no PDB 4U5J . "C-src In Complex With Ruxolitinib" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 17384 1 64 no PDB 5D10 . "Kinase Domain Of Csrc In Complex With Rl236" . . . . . 100.00 286 99.30 99.30 0.00e+00 . . . . 17384 1 65 no PDB 5D11 . "Kinase Domain Of Csrc In Complex With Rl235" . . . . . 100.00 286 99.30 99.30 0.00e+00 . . . . 17384 1 66 no PDB 5D12 . "Kinase Domain Of Csrc In Complex With Rl40" . . . . . 100.00 286 99.30 99.30 0.00e+00 . . . . 17384 1 67 no DBJ BAB14871 . "unnamed protein product [Homo sapiens]" . . . . . 87.76 251 99.20 99.60 0.00e+00 . . . . 17384 1 68 no DBJ BAE26865 . "unnamed protein product [Mus musculus]" . . . . . 98.95 535 98.59 99.65 0.00e+00 . . . . 17384 1 69 no DBJ BAI47379 . "v-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog [synthetic construct]" . . . . . 98.95 536 99.29 99.65 0.00e+00 . . . . 17384 1 70 no EMBL CAA23696 . "pp60-c-src protein [Gallus gallus]" . . . . . 98.95 533 100.00 100.00 0.00e+00 . . . . 17384 1 71 no EMBL CAA24495 . "src [Avian sarcoma virus]" . . . . . 93.01 526 97.74 98.50 0.00e+00 . . . . 17384 1 72 no EMBL CAA26485 . "c-src [Homo sapiens]" . . . . . 98.95 351 99.29 99.65 0.00e+00 . . . . 17384 1 73 no EMBL CAA32012 . "unnamed protein product [Avian sarcoma virus]" . . . . . 93.01 526 96.99 98.12 0.00e+00 . . . . 17384 1 74 no EMBL CAA33404 . "unnamed protein product [Rous sarcoma virus]" . . . . . 93.01 526 98.12 98.50 0.00e+00 . . . . 17384 1 75 no GB AAA40135 . "tyrosine-specific protein kinase [Mus musculus]" . . . . . 98.95 541 98.59 99.65 0.00e+00 . . . . 17384 1 76 no GB AAA42563 . "src-p60 phosphoprotein [Rous sarcoma virus]" . . . . . 93.01 526 97.74 98.50 0.00e+00 . . . . 17384 1 77 no GB AAA42565 . "src-p60 phosphoprotein [Rous sarcoma virus]" . . . . . 93.01 526 98.12 98.87 0.00e+00 . . . . 17384 1 78 no GB AAA42583 . "p66-src protein [Rous sarcoma virus]" . . . . . 96.15 587 100.00 100.00 0.00e+00 . . . . 17384 1 79 no GB AAA49961 . "pp60c-src protein [Xenopus laevis]" . . . . . 98.95 532 97.17 99.65 0.00e+00 . . . . 17384 1 80 no PRF 0903255A . "protein v-src" . . . . . 93.01 772 97.74 98.50 0.00e+00 . . . . 17384 1 81 no REF NP_001011413 . "proto-oncogene tyrosine-protein kinase Src [Xenopus (Silurana) tropicalis]" . . . . . 98.95 532 97.53 100.00 0.00e+00 . . . . 17384 1 82 no REF NP_001020566 . "neuronal proto-oncogene tyrosine-protein kinase Src isoform 2 [Mus musculus]" . . . . . 98.95 535 98.59 99.65 0.00e+00 . . . . 17384 1 83 no REF NP_001080738 . "tyrosine-protein kinase Src-2 [Xenopus laevis]" . . . . . 98.95 537 97.17 99.65 0.00e+00 . . . . 17384 1 84 no REF NP_001104274 . "proto-oncogene tyrosine-protein kinase Src [Bos taurus]" . . . . . 98.95 542 99.29 99.65 0.00e+00 . . . . 17384 1 85 no REF NP_001248263 . "v-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog [Macaca mulatta]" . . . . . 98.95 536 99.29 99.65 0.00e+00 . . . . 17384 1 86 no SP P00523 . "RecName: Full=Proto-oncogene tyrosine-protein kinase Src; AltName: Full=Proto-oncogene c-Src; AltName: Full=pp60c-src; Short=p6" . . . . . 98.95 533 100.00 100.00 0.00e+00 . . . . 17384 1 87 no SP P00524 . "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" . . . . . 93.01 526 98.12 98.87 0.00e+00 . . . . 17384 1 88 no SP P00525 . "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" . . . . . 93.01 526 98.12 98.87 0.00e+00 . . . . 17384 1 89 no SP P00526 . "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" . . . . . 93.01 526 98.12 98.50 0.00e+00 . . . . 17384 1 90 no SP P05480 . "RecName: Full=Neuronal proto-oncogene tyrosine-protein kinase Src; AltName: Full=Proto-oncogene c-Src; AltName: Full=pp60c-src;" . . . . . 98.95 541 98.59 99.65 0.00e+00 . . . . 17384 1 91 no TPG DAA23281 . "TPA: v-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog [Bos taurus]" . . . . . 98.95 542 99.29 99.65 0.00e+00 . . . . 17384 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 -3 GLY . 17384 1 2 -2 HIS . 17384 1 3 -1 MET . 17384 1 4 251 GLN . 17384 1 5 252 THR . 17384 1 6 253 GLN . 17384 1 7 254 GLY . 17384 1 8 255 LEU . 17384 1 9 256 ALA . 17384 1 10 257 LYS . 17384 1 11 258 ASP . 17384 1 12 259 ALA . 17384 1 13 260 TRP . 17384 1 14 261 GLU . 17384 1 15 262 ILE . 17384 1 16 263 PRO . 17384 1 17 264 ARG . 17384 1 18 265 GLU . 17384 1 19 266 SER . 17384 1 20 267 LEU . 17384 1 21 268 ARG . 17384 1 22 269 LEU . 17384 1 23 270 GLU . 17384 1 24 271 VAL . 17384 1 25 272 LYS . 17384 1 26 273 LEU . 17384 1 27 274 GLY . 17384 1 28 275 GLN . 17384 1 29 276 GLY . 17384 1 30 277 CYS . 17384 1 31 278 PHE . 17384 1 32 279 GLY . 17384 1 33 280 GLU . 17384 1 34 281 VAL . 17384 1 35 282 TRP . 17384 1 36 283 MET . 17384 1 37 284 GLY . 17384 1 38 285 THR . 17384 1 39 286 TRP . 17384 1 40 287 ASN . 17384 1 41 288 GLY . 17384 1 42 289 THR . 17384 1 43 290 THR . 17384 1 44 291 ARG . 17384 1 45 292 VAL . 17384 1 46 293 ALA . 17384 1 47 294 ILE . 17384 1 48 295 LYS . 17384 1 49 296 THR . 17384 1 50 297 LEU . 17384 1 51 298 LYS . 17384 1 52 299 PRO . 17384 1 53 300 GLY . 17384 1 54 301 THR . 17384 1 55 302 MET . 17384 1 56 303 SER . 17384 1 57 304 PRO . 17384 1 58 305 GLU . 17384 1 59 306 ALA . 17384 1 60 307 PHE . 17384 1 61 308 LEU . 17384 1 62 309 GLN . 17384 1 63 310 GLU . 17384 1 64 311 ALA . 17384 1 65 312 GLN . 17384 1 66 313 VAL . 17384 1 67 314 MET . 17384 1 68 315 LYS . 17384 1 69 316 LYS . 17384 1 70 317 LEU . 17384 1 71 318 ARG . 17384 1 72 319 HIS . 17384 1 73 320 GLU . 17384 1 74 321 LYS . 17384 1 75 322 LEU . 17384 1 76 323 VAL . 17384 1 77 324 GLN . 17384 1 78 325 LEU . 17384 1 79 326 TYR . 17384 1 80 327 ALA . 17384 1 81 328 VAL . 17384 1 82 329 VAL . 17384 1 83 330 SER . 17384 1 84 331 GLU . 17384 1 85 332 GLU . 17384 1 86 333 PRO . 17384 1 87 334 ILE . 17384 1 88 335 TYR . 17384 1 89 336 ILE . 17384 1 90 337 VAL . 17384 1 91 338 THR . 17384 1 92 339 GLU . 17384 1 93 340 TYR . 17384 1 94 341 MET . 17384 1 95 342 SER . 17384 1 96 343 LYS . 17384 1 97 344 GLY . 17384 1 98 345 SER . 17384 1 99 346 LEU . 17384 1 100 347 LEU . 17384 1 101 348 ASP . 17384 1 102 349 PHE . 17384 1 103 350 LEU . 17384 1 104 351 LYS . 17384 1 105 352 GLY . 17384 1 106 353 GLU . 17384 1 107 354 MET . 17384 1 108 355 GLY . 17384 1 109 356 LYS . 17384 1 110 357 TYR . 17384 1 111 358 LEU . 17384 1 112 359 ARG . 17384 1 113 360 LEU . 17384 1 114 361 PRO . 17384 1 115 362 GLN . 17384 1 116 363 LEU . 17384 1 117 364 VAL . 17384 1 118 365 ASP . 17384 1 119 366 MET . 17384 1 120 367 ALA . 17384 1 121 368 ALA . 17384 1 122 369 GLN . 17384 1 123 370 ILE . 17384 1 124 371 ALA . 17384 1 125 372 SER . 17384 1 126 373 GLY . 17384 1 127 374 MET . 17384 1 128 375 ALA . 17384 1 129 376 TYR . 17384 1 130 377 VAL . 17384 1 131 378 GLU . 17384 1 132 379 ARG . 17384 1 133 380 MET . 17384 1 134 381 ASN . 17384 1 135 382 TYR . 17384 1 136 383 VAL . 17384 1 137 384 HIS . 17384 1 138 385 ARG . 17384 1 139 386 ASP . 17384 1 140 387 LEU . 17384 1 141 388 ARG . 17384 1 142 389 ALA . 17384 1 143 390 ALA . 17384 1 144 391 ASN . 17384 1 145 392 ILE . 17384 1 146 393 LEU . 17384 1 147 394 VAL . 17384 1 148 395 GLY . 17384 1 149 396 GLU . 17384 1 150 397 ASN . 17384 1 151 398 LEU . 17384 1 152 399 VAL . 17384 1 153 400 CYS . 17384 1 154 401 LYS . 17384 1 155 402 VAL . 17384 1 156 403 ALA . 17384 1 157 404 ASP . 17384 1 158 405 PHE . 17384 1 159 406 GLY . 17384 1 160 407 LEU . 17384 1 161 408 ALA . 17384 1 162 409 ARG . 17384 1 163 410 LEU . 17384 1 164 411 ILE . 17384 1 165 412 GLU . 17384 1 166 413 ASP . 17384 1 167 414 ASN . 17384 1 168 415 GLU . 17384 1 169 416 TYR . 17384 1 170 417 THR . 17384 1 171 418 ALA . 17384 1 172 419 ARG . 17384 1 173 420 GLN . 17384 1 174 421 GLY . 17384 1 175 422 ALA . 17384 1 176 423 LYS . 17384 1 177 424 PHE . 17384 1 178 425 PRO . 17384 1 179 426 ILE . 17384 1 180 427 LYS . 17384 1 181 428 TRP . 17384 1 182 429 THR . 17384 1 183 430 ALA . 17384 1 184 431 PRO . 17384 1 185 432 GLU . 17384 1 186 433 ALA . 17384 1 187 434 ALA . 17384 1 188 435 LEU . 17384 1 189 436 TYR . 17384 1 190 437 GLY . 17384 1 191 438 ARG . 17384 1 192 439 PHE . 17384 1 193 440 THR . 17384 1 194 441 ILE . 17384 1 195 442 LYS . 17384 1 196 443 SER . 17384 1 197 444 ASP . 17384 1 198 445 VAL . 17384 1 199 446 TRP . 17384 1 200 447 SER . 17384 1 201 448 PHE . 17384 1 202 449 GLY . 17384 1 203 450 ILE . 17384 1 204 451 LEU . 17384 1 205 452 LEU . 17384 1 206 453 THR . 17384 1 207 454 GLU . 17384 1 208 455 LEU . 17384 1 209 456 THR . 17384 1 210 457 THR . 17384 1 211 458 LYS . 17384 1 212 459 GLY . 17384 1 213 460 ARG . 17384 1 214 461 VAL . 17384 1 215 462 PRO . 17384 1 216 463 TYR . 17384 1 217 464 PRO . 17384 1 218 465 GLY . 17384 1 219 466 MET . 17384 1 220 467 VAL . 17384 1 221 468 ASN . 17384 1 222 469 ARG . 17384 1 223 470 GLU . 17384 1 224 471 VAL . 17384 1 225 472 LEU . 17384 1 226 473 ASP . 17384 1 227 474 GLN . 17384 1 228 475 VAL . 17384 1 229 476 GLU . 17384 1 230 477 ARG . 17384 1 231 478 GLY . 17384 1 232 479 TYR . 17384 1 233 480 ARG . 17384 1 234 481 MET . 17384 1 235 482 PRO . 17384 1 236 483 CYS . 17384 1 237 484 PRO . 17384 1 238 485 PRO . 17384 1 239 486 GLU . 17384 1 240 487 CYS . 17384 1 241 488 PRO . 17384 1 242 489 GLU . 17384 1 243 490 SER . 17384 1 244 491 LEU . 17384 1 245 492 HIS . 17384 1 246 493 ASP . 17384 1 247 494 LEU . 17384 1 248 495 MET . 17384 1 249 496 CYS . 17384 1 250 497 GLN . 17384 1 251 498 CYS . 17384 1 252 499 TRP . 17384 1 253 500 ARG . 17384 1 254 501 LYS . 17384 1 255 502 ASP . 17384 1 256 503 PRO . 17384 1 257 504 GLU . 17384 1 258 505 GLU . 17384 1 259 506 ARG . 17384 1 260 507 PRO . 17384 1 261 508 THR . 17384 1 262 509 PHE . 17384 1 263 510 GLU . 17384 1 264 511 TYR . 17384 1 265 512 LEU . 17384 1 266 513 GLN . 17384 1 267 514 ALA . 17384 1 268 515 PHE . 17384 1 269 516 LEU . 17384 1 270 517 GLU . 17384 1 271 518 ASP . 17384 1 272 519 TYR . 17384 1 273 520 PHE . 17384 1 274 521 THR . 17384 1 275 522 SER . 17384 1 276 523 THR . 17384 1 277 524 GLU . 17384 1 278 525 PRO . 17384 1 279 526 GLN . 17384 1 280 527 TYR . 17384 1 281 528 GLN . 17384 1 282 529 PRO . 17384 1 283 530 GLY . 17384 1 284 531 GLU . 17384 1 285 532 ASN . 17384 1 286 533 LEU . 17384 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 17384 1 . HIS 2 2 17384 1 . MET 3 3 17384 1 . GLN 4 4 17384 1 . THR 5 5 17384 1 . GLN 6 6 17384 1 . GLY 7 7 17384 1 . LEU 8 8 17384 1 . ALA 9 9 17384 1 . LYS 10 10 17384 1 . ASP 11 11 17384 1 . ALA 12 12 17384 1 . TRP 13 13 17384 1 . GLU 14 14 17384 1 . ILE 15 15 17384 1 . PRO 16 16 17384 1 . ARG 17 17 17384 1 . GLU 18 18 17384 1 . SER 19 19 17384 1 . LEU 20 20 17384 1 . ARG 21 21 17384 1 . LEU 22 22 17384 1 . GLU 23 23 17384 1 . VAL 24 24 17384 1 . LYS 25 25 17384 1 . LEU 26 26 17384 1 . GLY 27 27 17384 1 . GLN 28 28 17384 1 . GLY 29 29 17384 1 . CYS 30 30 17384 1 . PHE 31 31 17384 1 . GLY 32 32 17384 1 . GLU 33 33 17384 1 . VAL 34 34 17384 1 . TRP 35 35 17384 1 . MET 36 36 17384 1 . GLY 37 37 17384 1 . THR 38 38 17384 1 . TRP 39 39 17384 1 . ASN 40 40 17384 1 . GLY 41 41 17384 1 . THR 42 42 17384 1 . THR 43 43 17384 1 . ARG 44 44 17384 1 . VAL 45 45 17384 1 . ALA 46 46 17384 1 . ILE 47 47 17384 1 . LYS 48 48 17384 1 . THR 49 49 17384 1 . LEU 50 50 17384 1 . LYS 51 51 17384 1 . PRO 52 52 17384 1 . GLY 53 53 17384 1 . THR 54 54 17384 1 . MET 55 55 17384 1 . SER 56 56 17384 1 . PRO 57 57 17384 1 . GLU 58 58 17384 1 . ALA 59 59 17384 1 . PHE 60 60 17384 1 . LEU 61 61 17384 1 . GLN 62 62 17384 1 . GLU 63 63 17384 1 . ALA 64 64 17384 1 . GLN 65 65 17384 1 . VAL 66 66 17384 1 . MET 67 67 17384 1 . LYS 68 68 17384 1 . LYS 69 69 17384 1 . LEU 70 70 17384 1 . ARG 71 71 17384 1 . HIS 72 72 17384 1 . GLU 73 73 17384 1 . LYS 74 74 17384 1 . LEU 75 75 17384 1 . VAL 76 76 17384 1 . GLN 77 77 17384 1 . LEU 78 78 17384 1 . TYR 79 79 17384 1 . ALA 80 80 17384 1 . VAL 81 81 17384 1 . VAL 82 82 17384 1 . SER 83 83 17384 1 . GLU 84 84 17384 1 . GLU 85 85 17384 1 . PRO 86 86 17384 1 . ILE 87 87 17384 1 . TYR 88 88 17384 1 . ILE 89 89 17384 1 . VAL 90 90 17384 1 . THR 91 91 17384 1 . GLU 92 92 17384 1 . TYR 93 93 17384 1 . MET 94 94 17384 1 . SER 95 95 17384 1 . LYS 96 96 17384 1 . GLY 97 97 17384 1 . SER 98 98 17384 1 . LEU 99 99 17384 1 . LEU 100 100 17384 1 . ASP 101 101 17384 1 . PHE 102 102 17384 1 . LEU 103 103 17384 1 . LYS 104 104 17384 1 . GLY 105 105 17384 1 . GLU 106 106 17384 1 . MET 107 107 17384 1 . GLY 108 108 17384 1 . LYS 109 109 17384 1 . TYR 110 110 17384 1 . LEU 111 111 17384 1 . ARG 112 112 17384 1 . LEU 113 113 17384 1 . PRO 114 114 17384 1 . GLN 115 115 17384 1 . LEU 116 116 17384 1 . VAL 117 117 17384 1 . ASP 118 118 17384 1 . MET 119 119 17384 1 . ALA 120 120 17384 1 . ALA 121 121 17384 1 . GLN 122 122 17384 1 . ILE 123 123 17384 1 . ALA 124 124 17384 1 . SER 125 125 17384 1 . GLY 126 126 17384 1 . MET 127 127 17384 1 . ALA 128 128 17384 1 . TYR 129 129 17384 1 . VAL 130 130 17384 1 . GLU 131 131 17384 1 . ARG 132 132 17384 1 . MET 133 133 17384 1 . ASN 134 134 17384 1 . TYR 135 135 17384 1 . VAL 136 136 17384 1 . HIS 137 137 17384 1 . ARG 138 138 17384 1 . ASP 139 139 17384 1 . LEU 140 140 17384 1 . ARG 141 141 17384 1 . ALA 142 142 17384 1 . ALA 143 143 17384 1 . ASN 144 144 17384 1 . ILE 145 145 17384 1 . LEU 146 146 17384 1 . VAL 147 147 17384 1 . GLY 148 148 17384 1 . GLU 149 149 17384 1 . ASN 150 150 17384 1 . LEU 151 151 17384 1 . VAL 152 152 17384 1 . CYS 153 153 17384 1 . LYS 154 154 17384 1 . VAL 155 155 17384 1 . ALA 156 156 17384 1 . ASP 157 157 17384 1 . PHE 158 158 17384 1 . GLY 159 159 17384 1 . LEU 160 160 17384 1 . ALA 161 161 17384 1 . ARG 162 162 17384 1 . LEU 163 163 17384 1 . ILE 164 164 17384 1 . GLU 165 165 17384 1 . ASP 166 166 17384 1 . ASN 167 167 17384 1 . GLU 168 168 17384 1 . TYR 169 169 17384 1 . THR 170 170 17384 1 . ALA 171 171 17384 1 . ARG 172 172 17384 1 . GLN 173 173 17384 1 . GLY 174 174 17384 1 . ALA 175 175 17384 1 . LYS 176 176 17384 1 . PHE 177 177 17384 1 . PRO 178 178 17384 1 . ILE 179 179 17384 1 . LYS 180 180 17384 1 . TRP 181 181 17384 1 . THR 182 182 17384 1 . ALA 183 183 17384 1 . PRO 184 184 17384 1 . GLU 185 185 17384 1 . ALA 186 186 17384 1 . ALA 187 187 17384 1 . LEU 188 188 17384 1 . TYR 189 189 17384 1 . GLY 190 190 17384 1 . ARG 191 191 17384 1 . PHE 192 192 17384 1 . THR 193 193 17384 1 . ILE 194 194 17384 1 . LYS 195 195 17384 1 . SER 196 196 17384 1 . ASP 197 197 17384 1 . VAL 198 198 17384 1 . TRP 199 199 17384 1 . SER 200 200 17384 1 . PHE 201 201 17384 1 . GLY 202 202 17384 1 . ILE 203 203 17384 1 . LEU 204 204 17384 1 . LEU 205 205 17384 1 . THR 206 206 17384 1 . GLU 207 207 17384 1 . LEU 208 208 17384 1 . THR 209 209 17384 1 . THR 210 210 17384 1 . LYS 211 211 17384 1 . GLY 212 212 17384 1 . ARG 213 213 17384 1 . VAL 214 214 17384 1 . PRO 215 215 17384 1 . TYR 216 216 17384 1 . PRO 217 217 17384 1 . GLY 218 218 17384 1 . MET 219 219 17384 1 . VAL 220 220 17384 1 . ASN 221 221 17384 1 . ARG 222 222 17384 1 . GLU 223 223 17384 1 . VAL 224 224 17384 1 . LEU 225 225 17384 1 . ASP 226 226 17384 1 . GLN 227 227 17384 1 . VAL 228 228 17384 1 . GLU 229 229 17384 1 . ARG 230 230 17384 1 . GLY 231 231 17384 1 . TYR 232 232 17384 1 . ARG 233 233 17384 1 . MET 234 234 17384 1 . PRO 235 235 17384 1 . CYS 236 236 17384 1 . PRO 237 237 17384 1 . PRO 238 238 17384 1 . GLU 239 239 17384 1 . CYS 240 240 17384 1 . PRO 241 241 17384 1 . GLU 242 242 17384 1 . SER 243 243 17384 1 . LEU 244 244 17384 1 . HIS 245 245 17384 1 . ASP 246 246 17384 1 . LEU 247 247 17384 1 . MET 248 248 17384 1 . CYS 249 249 17384 1 . GLN 250 250 17384 1 . CYS 251 251 17384 1 . TRP 252 252 17384 1 . ARG 253 253 17384 1 . LYS 254 254 17384 1 . ASP 255 255 17384 1 . PRO 256 256 17384 1 . GLU 257 257 17384 1 . GLU 258 258 17384 1 . ARG 259 259 17384 1 . PRO 260 260 17384 1 . THR 261 261 17384 1 . PHE 262 262 17384 1 . GLU 263 263 17384 1 . TYR 264 264 17384 1 . LEU 265 265 17384 1 . GLN 266 266 17384 1 . ALA 267 267 17384 1 . PHE 268 268 17384 1 . LEU 269 269 17384 1 . GLU 270 270 17384 1 . ASP 271 271 17384 1 . TYR 272 272 17384 1 . PHE 273 273 17384 1 . THR 274 274 17384 1 . SER 275 275 17384 1 . THR 276 276 17384 1 . GLU 277 277 17384 1 . PRO 278 278 17384 1 . GLN 279 279 17384 1 . TYR 280 280 17384 1 . GLN 281 281 17384 1 . PRO 282 282 17384 1 . GLY 283 283 17384 1 . GLU 284 284 17384 1 . ASN 285 285 17384 1 . LEU 286 286 17384 1 stop_ save_ save_STI _Entity.Sf_category entity _Entity.Sf_framecode STI _Entity.Entry_ID 17384 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name STI _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID STI _Entity.Nonpolymer_comp_label $chem_comp_STI _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . STI . 17384 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17384 _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 $SrcKD . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . cSrc . . . . 17384 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 17384 _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 $SrcKD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . 'modifyed pET28' . . . . . . 17384 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_STI _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_STI _Chem_comp.Entry_ID 17384 _Chem_comp.ID STI _Chem_comp.Provenance . _Chem_comp.Name 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code STI _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code STI _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C29 H31 N7 O' _Chem_comp.Formula_weight 493.603 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1IEP _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:18:47 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C SMILES 'OpenEye OEToolkits' 1.5.0 17384 STI Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17384 STI CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3 SMILES CACTVS 3.341 17384 STI CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3 SMILES_CANONICAL CACTVS 3.341 17384 STI InChI=1/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)/f/h32,34H InChI InChI 1.02b 17384 STI KTUFNOKKBVMGRW-RPGFEBOUCX InChIKey InChI 1.02b 17384 STI O=C(Nc3ccc(c(Nc2nc(c1cccnc1)ccn2)c3)C)c4ccc(cc4)CN5CCN(CC5)C SMILES ACDLabs 10.04 17384 STI stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17384 STI 4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide 'SYSTEMATIC NAME' ACDLabs 10.04 17384 STI stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . . . . . . . 16.356 . 100.406 . 50.614 . 2.740 -0.022 8.889 . . 17384 STI C11 . C11 . . C . . N 0 . . . . . . . . . . 11.704 . 99.172 . 54.114 . 1.308 1.042 3.088 . . 17384 STI C12 . C12 . . C . . N 0 . . . . . . . . . . 12.723 . 99.470 . 53.173 . 2.131 0.848 4.183 . . 17384 STI C14 . C14 . . C . . N 0 . . . . . . . . . . 12.302 . 100.109 . 58.246 . -2.541 -0.230 3.106 . . 17384 STI C15 . C15 . . C . . N 0 . . . . . . . . . . 12.424 . 98.921 . 59.032 . -1.955 -0.419 1.862 . . 17384 STI C16 . C16 . . C . . N 0 . . . . . . . . . . 11.456 . 98.610 . 60.086 . -2.728 -0.327 0.714 . . 17384 STI C17 . C17 . . C . . N 0 . . . . . . . . . . 10.386 . 99.520 . 60.309 . -4.087 -0.056 0.812 . . 17384 STI C18 . C18 . . C . . N 0 . . . . . . . . . . 10.251 . 100.722 . 59.524 . -4.669 0.126 2.052 . . 17384 STI C19 . C19 . . C . . N 0 . . . . . . . . . . 11.195 . 101.040 . 58.488 . -3.901 0.040 3.198 . . 17384 STI C2 . C2 . . C . . N 0 . . . . . . . . . . 17.356 . 101.243 . 51.215 . 4.042 -0.436 8.674 . . 17384 STI C20 . C20 . . C . . N 0 . . . . . . . . . . 10.986 . 102.351 . 57.694 . -4.539 0.240 4.548 . . 17384 STI C22 . C22 . . C . . N 0 . . . . . . . . . . 12.446 . 96.415 . 60.910 . -2.547 0.228 -1.591 . . 17384 STI C23 . C23 . . C . . N 0 . . . . . . . . . . 12.472 . 95.442 . 62.042 . -1.994 -0.031 -2.937 . . 17384 STI C25 . C25 . . C . . N 0 . . . . . . . . . . 13.689 . 94.696 . 62.364 . -2.413 0.734 -4.027 . . 17384 STI C26 . C26 . . C . . N 0 . . . . . . . . . . 13.682 . 93.749 . 63.449 . -1.892 0.486 -5.280 . . 17384 STI C27 . C27 . . C . . N 0 . . . . . . . . . . 12.463 . 93.546 . 64.214 . -0.957 -0.517 -5.458 . . 17384 STI C28 . C28 . . C . . N 0 . . . . . . . . . . 11.274 . 94.301 . 63.879 . -0.542 -1.283 -4.384 . . 17384 STI C29 . C29 . . C . . N 0 . . . . . . . . . . 11.272 . 95.230 . 62.817 . -1.050 -1.042 -3.124 . . 17384 STI C4 . C4 . . C . . N 0 . . . . . . . . . . 16.138 . 101.298 . 53.339 . 3.755 -0.413 6.387 . . 17384 STI C46 . C46 . . C . . N 0 . . . . . . . . . . 12.371 . 92.542 . 65.368 . -0.393 -0.781 -6.830 . . 17384 STI C49 . C49 . . C . . N 0 . . . . . . . . . . 11.273 . 90.652 . 66.574 . 1.817 -0.452 -6.085 . . 17384 STI C5 . C5 . . C . . N 0 . . . . . . . . . . 15.089 . 100.453 . 52.798 . 2.435 0.009 6.520 . . 17384 STI C50 . C50 . . C . . N 0 . . . . . . . . . . 10.070 . 89.659 . 66.572 . 3.141 0.276 -6.321 . . 17384 STI C52 . C52 . . C . . N 0 . . . . . . . . . . 10.031 . 89.776 . 64.067 . 2.629 0.463 -8.615 . . 17384 STI C53 . C53 . . C . . N 0 . . . . . . . . . . 11.214 . 90.778 . 64.093 . 1.306 -0.264 -8.379 . . 17384 STI C54 . C54 . . C . . N 0 . . . . . . . . . . 8.985 . 87.875 . 65.306 . 4.840 0.792 -7.870 . . 17384 STI C6 . C6 . . C . . N 0 . . . . . . . . . . 15.218 . 100.012 . 51.414 . 1.914 0.207 7.802 . . 17384 STI C7 . C7 . . C . . N 0 . . . . . . . . . . 13.928 . 100.078 . 53.673 . 1.593 0.241 5.321 . . 17384 STI C9 . C9 . . C . . N 0 . . . . . . . . . . 13.053 . 100.050 . 55.907 . -0.438 0.077 4.242 . . 17384 STI H11 . H11 . . H . . N 0 . . . . . . . . . . 16.459 . 100.074 . 49.566 . 2.371 0.120 9.894 . . 17384 STI H111 . H111 . . H . . N 0 . . . . . . . . . . 10.756 . 98.704 . 53.796 . 1.692 1.508 2.193 . . 17384 STI H121 . H121 . . H . . N 0 . . . . . . . . . . 12.584 . 99.239 . 52.103 . 3.166 1.157 4.159 . . 17384 STI H131 . H131 . . H . . N 0 . . . . . . . . . . 13.506 . 101.351 . 57.305 . -2.157 -0.654 5.087 . . 17384 STI H151 . H151 . . H . . N 0 . . . . . . . . . . 13.268 . 98.241 . 58.824 . -0.899 -0.630 1.788 . . 17384 STI H171 . H171 . . H . . N 0 . . . . . . . . . . 9.652 . 99.290 . 61.100 . -4.690 0.011 -0.080 . . 17384 STI H181 . H181 . . H . . N 0 . . . . . . . . . . 9.411 . 101.410 . 59.719 . -5.725 0.336 2.126 . . 17384 STI H201 . H201 . . H . . N 0 . . . . . . . . . . 10.144 . 103.058 . 57.878 . -4.890 -0.718 4.930 . . 17384 STI H202 . H202 . . H . . N 0 . . . . . . . . . . 11.931 . 102.936 . 57.771 . -3.807 0.661 5.237 . . 17384 STI H203 . H203 . . H . . N 0 . . . . . . . . . . 10.957 . 102.079 . 56.612 . -5.383 0.924 4.453 . . 17384 STI H21 . H21 . . H . . N 0 . . . . . . . . . . 18.243 . 101.570 . 50.647 . 4.689 -0.616 9.519 . . 17384 STI H211 . H211 . . H . . N 0 . . . . . . . . . . 10.792 . 97.308 . 61.630 . -1.440 -1.173 -0.656 . . 17384 STI H251 . H251 . . H . . N 0 . . . . . . . . . . 14.616 . 94.848 . 61.786 . -3.142 1.518 -3.889 . . 17384 STI H261 . H261 . . H . . N 0 . . . . . . . . . . 14.599 . 93.186 . 63.691 . -2.216 1.077 -6.124 . . 17384 STI H281 . H281 . . H . . N 0 . . . . . . . . . . 10.340 . 94.164 . 64.450 . 0.187 -2.065 -4.530 . . 17384 STI H291 . H291 . . H . . N 0 . . . . . . . . . . 10.344 . 95.783 . 62.595 . -0.722 -1.638 -2.285 . . 17384 STI H41 . H41 . . H . . N 0 . . . . . . . . . . 16.112 . 101.672 . 54.376 . 4.171 -0.570 5.403 . . 17384 STI H461 . H461 . . H . . N 0 . . . . . . . . . . 13.328 . 91.975 . 65.438 . -1.137 -0.526 -7.585 . . 17384 STI H462 . H462 . . H . . N 0 . . . . . . . . . . 12.381 . 93.094 . 66.336 . -0.132 -1.836 -6.919 . . 17384 STI H491 . H491 . . H . . N 0 . . . . . . . . . . 12.247 . 90.113 . 66.642 . 1.478 -0.267 -5.065 . . 17384 STI H492 . H492 . . H . . N 0 . . . . . . . . . . 11.327 . 91.226 . 67.527 . 1.961 -1.522 -6.230 . . 17384 STI H501 . H501 . . H . . N 0 . . . . . . . . . . 9.096 . 90.174 . 66.741 . 3.872 -0.052 -5.582 . . 17384 STI H502 . H502 . . H . . N 0 . . . . . . . . . . 10.061 . 89.004 . 67.474 . 2.986 1.350 -6.225 . . 17384 STI H521 . H521 . . H . . N 0 . . . . . . . . . . 9.048 . 90.297 . 63.982 . 2.486 1.533 -8.470 . . 17384 STI H522 . H522 . . H . . N 0 . . . . . . . . . . 9.996 . 89.200 . 63.112 . 2.968 0.278 -9.635 . . 17384 STI H531 . H531 . . H . . N 0 . . . . . . . . . . 11.208 . 91.438 . 63.194 . 0.574 0.063 -9.118 . . 17384 STI H532 . H532 . . H . . N 0 . . . . . . . . . . 12.188 . 90.263 . 63.923 . 1.460 -1.339 -8.475 . . 17384 STI H541 . H541 . . H . . N 0 . . . . . . . . . . 9.021 . 87.201 . 66.194 . 5.623 0.464 -7.185 . . 17384 STI H542 . H542 . . H . . N 0 . . . . . . . . . . 7.994 . 88.382 . 65.233 . 5.187 0.682 -8.897 . . 17384 STI H543 . H543 . . H . . N 0 . . . . . . . . . . 8.957 . 87.284 . 64.360 . 4.603 1.838 -7.676 . . 17384 STI H61 . H61 . . H . . N 0 . . . . . . . . . . 14.441 . 99.369 . 50.964 . 0.893 0.532 7.941 . . 17384 STI N10 . N10 . . N . . N 0 . . . . . . . . . . 11.881 . 99.464 . 55.456 . 0.045 0.651 3.150 . . 17384 STI N13 . N13 . . N . . N 0 . . . . . . . . . . 13.263 . 100.362 . 57.253 . -1.765 -0.317 4.266 . . 17384 STI N21 . N21 . . N . . N 0 . . . . . . . . . . 11.516 . 97.436 . 60.923 . -2.140 -0.512 -0.541 . . 17384 STI N3 . N3 . . N . . N 0 . . . . . . . . . . 17.220 . 101.660 . 52.543 . 4.505 -0.614 7.452 . . 17384 STI N48 . N48 . . N . . N 0 . . . . . . . . . . 11.230 . 91.579 . 65.364 . 0.809 0.038 -7.032 . . 17384 STI N51 . N51 . . N . . N 0 . . . . . . . . . . 10.081 . 88.858 . 65.278 . 3.638 -0.027 -7.668 . . 17384 STI N8 . N8 . . N . . N 0 . . . . . . . . . . 14.046 . 100.345 . 55.023 . 0.313 -0.122 5.314 . . 17384 STI O29 . O29 . . O . . N 0 . . . . . . . . . . 13.258 . 96.231 . 60.024 . -3.368 1.110 -1.431 . . 17384 STI stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 C6 . . . . 17384 STI 2 . SING C1 C2 . . . . 17384 STI 3 . SING C1 H11 . . . . 17384 STI 4 . SING C6 C5 . . . . 17384 STI 5 . SING C6 H61 . . . . 17384 STI 6 . DOUB C5 C4 . . . . 17384 STI 7 . SING C5 C7 . . . . 17384 STI 8 . SING C4 N3 . . . . 17384 STI 9 . SING C4 H41 . . . . 17384 STI 10 . DOUB N3 C2 . . . . 17384 STI 11 . SING C2 H21 . . . . 17384 STI 12 . DOUB C7 C12 . . . . 17384 STI 13 . SING C7 N8 . . . . 17384 STI 14 . SING C12 C11 . . . . 17384 STI 15 . SING C12 H121 . . . . 17384 STI 16 . DOUB C11 N10 . . . . 17384 STI 17 . SING C11 H111 . . . . 17384 STI 18 . SING N10 C9 . . . . 17384 STI 19 . DOUB C9 N8 . . . . 17384 STI 20 . SING C9 N13 . . . . 17384 STI 21 . SING N13 C14 . . . . 17384 STI 22 . SING N13 H131 . . . . 17384 STI 23 . DOUB C14 C19 . . . . 17384 STI 24 . SING C14 C15 . . . . 17384 STI 25 . SING C19 C18 . . . . 17384 STI 26 . SING C19 C20 . . . . 17384 STI 27 . DOUB C18 C17 . . . . 17384 STI 28 . SING C18 H181 . . . . 17384 STI 29 . SING C17 C16 . . . . 17384 STI 30 . SING C17 H171 . . . . 17384 STI 31 . DOUB C16 C15 . . . . 17384 STI 32 . SING C16 N21 . . . . 17384 STI 33 . SING C15 H151 . . . . 17384 STI 34 . SING N21 C22 . . . . 17384 STI 35 . SING N21 H211 . . . . 17384 STI 36 . SING C22 C23 . . . . 17384 STI 37 . DOUB C22 O29 . . . . 17384 STI 38 . DOUB C23 C25 . . . . 17384 STI 39 . SING C23 C29 . . . . 17384 STI 40 . SING C25 C26 . . . . 17384 STI 41 . SING C25 H251 . . . . 17384 STI 42 . DOUB C26 C27 . . . . 17384 STI 43 . SING C26 H261 . . . . 17384 STI 44 . SING C27 C28 . . . . 17384 STI 45 . SING C27 C46 . . . . 17384 STI 46 . DOUB C28 C29 . . . . 17384 STI 47 . SING C28 H281 . . . . 17384 STI 48 . SING C29 H291 . . . . 17384 STI 49 . SING C46 N48 . . . . 17384 STI 50 . SING C46 H461 . . . . 17384 STI 51 . SING C46 H462 . . . . 17384 STI 52 . SING N48 C53 . . . . 17384 STI 53 . SING N48 C49 . . . . 17384 STI 54 . SING C53 C52 . . . . 17384 STI 55 . SING C53 H531 . . . . 17384 STI 56 . SING C53 H532 . . . . 17384 STI 57 . SING C52 N51 . . . . 17384 STI 58 . SING C52 H521 . . . . 17384 STI 59 . SING C52 H522 . . . . 17384 STI 60 . SING N51 C54 . . . . 17384 STI 61 . SING N51 C50 . . . . 17384 STI 62 . SING C54 H541 . . . . 17384 STI 63 . SING C54 H542 . . . . 17384 STI 64 . SING C54 H543 . . . . 17384 STI 65 . SING C50 C49 . . . . 17384 STI 66 . SING C50 H501 . . . . 17384 STI 67 . SING C50 H502 . . . . 17384 STI 68 . SING C49 H491 . . . . 17384 STI 69 . SING C49 H492 . . . . 17384 STI 70 . SING C20 H201 . . . . 17384 STI 71 . SING C20 H202 . . . . 17384 STI 72 . SING C20 H203 . . . . 17384 STI stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17384 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SrcKD [U-15N]-Leu . . 1 $SrcKD . . 0.2-0.4 . . mM . . . . 17384 1 2 Imatinib/Gleevec 'natural abundance' . . 2 $STI . . 0.3-0.6 . . mM . . . . 17384 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17384 1 4 'sodium choride' 'natural abundance' . . . . . . 0.5 . . M . . . . 17384 1 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 17384 1 6 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 17384 1 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 17384 1 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17384 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17384 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SrcKD [U-15N]-Ile . . 1 $SrcKD . . 0.2-0.4 . . mM . . . . 17384 2 2 Imatinib/Gleevec 'natural abundance' . . 2 $STI . . 0.3-0.6 . . mM . . . . 17384 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17384 2 4 'sodium choride' 'natural abundance' . . . . . . 0.5 . . M . . . . 17384 2 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 17384 2 6 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 17384 2 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 17384 2 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17384 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17384 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SrcKD [U-15N]-Met . . 1 $SrcKD . . 0.2-0.4 . . mM . . . . 17384 3 2 Imatinib/Gleevec 'natural abundance' . . 2 $STI . . 0.3-0.6 . . mM . . . . 17384 3 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17384 3 4 'sodium choride' 'natural abundance' . . . . . . 0.5 . . M . . . . 17384 3 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 17384 3 6 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 17384 3 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 17384 3 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17384 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17384 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SrcKD [U-15N]-Phe . . 1 $SrcKD . . 0.2-0.4 . . mM . . . . 17384 4 2 Imatinib/Gleevec 'natural abundance' . . 2 $STI . . 0.3-0.6 . . mM . . . . 17384 4 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17384 4 4 'sodium choride' 'natural abundance' . . . . . . 0.5 . . M . . . . 17384 4 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 17384 4 6 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 17384 4 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 17384 4 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17384 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 17384 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SrcKD '[U-15N]-Val, [U-15N]-Leu' . . 1 $SrcKD . . 0.2-0.4 . . mM . . . . 17384 5 2 Imatinib/Gleevec 'natural abundance' . . 2 $STI . . 0.3-0.6 . . mM . . . . 17384 5 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17384 5 4 'sodium choride' 'natural abundance' . . . . . . 0.5 . . M . . . . 17384 5 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 17384 5 6 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 17384 5 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 17384 5 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17384 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 17384 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SrcKD '[U-15N]-Tyr, [U-15N]-Leu' . . 1 $SrcKD . . 0.2-0.4 . . mM . . . . 17384 6 2 Imatinib/Gleevec 'natural abundance' . . 2 $STI . . 0.3-0.6 . . mM . . . . 17384 6 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17384 6 4 'sodium choride' 'natural abundance' . . . . . . 0.5 . . M . . . . 17384 6 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 17384 6 6 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 17384 6 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 17384 6 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17384 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 17384 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SrcKD 'U-98% 15N; U-60% 2H]' . . 1 $SrcKD . . 0.3-0.6 . . mM . . . . 17384 7 2 Imatinib/Gleevec 'natural abundance' . . 2 $STI . . 0.45-0.9 . . mM . . . . 17384 7 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17384 7 4 'sodium choride' 'natural abundance' . . . . . . 0.5 . . M . . . . 17384 7 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 17384 7 6 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 17384 7 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 17384 7 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17384 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 17384 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SrcKD '[U-99% 13C; U-98% 15N; U-92% 2H]' . . 1 $SrcKD . . 0.3-0.6 . . mM . . . . 17384 8 2 Imatinib/Gleevec 'natural abundance' . . 2 $STI . . 0.45-0.9 . . mM . . . . 17384 8 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17384 8 4 'sodium choride' 'natural abundance' . . . . . . 0.5 . . M . . . . 17384 8 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 17384 8 6 'magnesium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 17384 8 7 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 17384 8 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17384 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 17384 _Sample.ID 9 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SrcKD '[U-99% 13C; U-98% 15N; U-92% 2H]' . . 1 $SrcKD . . 0.3-0.6 . . mM . . . . 17384 9 2 Imatinib/Gleevec 'natural abundance' . . 2 $STI . . 0.45-0.9 . . mM . . . . 17384 9 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17384 9 4 'sodium choride' 'natural abundance' . . . . . . 0.5 . . M . . . . 17384 9 5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 17384 9 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 17384 9 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17384 9 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17384 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Most experiments for assignment were recorded using these conditions: Tris pH 8.0' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.541 . M 17384 1 pH 8.0 0.1 pH 17384 1 pressure 1 . atm 17384 1 temperature 293 0.1 K 17384 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17384 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'A few experiments for assignment were also recorded using these conditions: phosphate pH 6.3' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.62 . M 17384 2 pH 6.3 0.1 pH 17384 2 pressure 1 . atm 17384 2 temperature 293 0.1 K 17384 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17384 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17384 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17384 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17384 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17384 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17384 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17384 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17384 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17384 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17384 _Software.ID 4 _Software.Name NMRView _Software.Version 'Java 8.0.rc13' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17384 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17384 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17384 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17384 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17384 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17384 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 17384 1 2 spectrometer_2 Bruker Avance . 600 . . . 17384 1 3 spectrometer_3 Bruker DRX . 800 . . . 17384 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 17384 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 9 '4D 1H-15N-1H-15N NOESY' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 10 '4D 1H-15N-1H-15N NOESY' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17384 1 11 '4D 1H-15N-1H-15N NOESY' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17384 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 13 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 14 '3D HNCO' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 15 '3D HNCA' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 16 '3D HN(CO)CA' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 17 '3D HNCACB' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 18 '3D HN(CA)CB' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 19 '3D HN(CO)CACB' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 20 '3D HN(COCA)CB' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 21 '3D HN(CA)CO' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 22 '3D HNCO' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17384 1 23 '3D HNCA' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17384 1 24 '3D HN(CO)CA' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17384 1 25 '3D HNCACB' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17384 1 26 '3D HN(CA)CO' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17384 1 27 '3D HNCACB' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17384 1 28 '2D 1H-15N HSQC' no . . . . . . . . . . 9 $sample_9 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 29 '3D HNCO' no . . . . . . . . . . 9 $sample_9 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 30 '3D HNCA' no . . . . . . . . . . 9 $sample_9 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17384 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17384 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17384 1 H 1 water protons . . . . ppm 4.72 internal direct 1.0 . . . . . . . . . 17384 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17384 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17384 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 12 '2D 1H-15N HSQC' . . . 17384 1 17 '3D HNCACB' . . . 17384 1 21 '3D HN(CA)CO' . . . 17384 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' 'all 13C' . . . 17384 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 4 4 GLN H H 1 8.5583 0.04 . 1 . . . . 251 GLN HN . 17384 1 2 . 1 1 4 4 GLN C C 13 176.2503 0.05 . 1 . . . . 251 GLN C . 17384 1 3 . 1 1 4 4 GLN CA C 13 55.7989 0.05 . 1 . . . . 251 GLN CA . 17384 1 4 . 1 1 4 4 GLN CB C 13 28.2949 0.05 . 1 . . . . 251 GLN CB . 17384 1 5 . 1 1 4 4 GLN N N 15 122.4794 0.05 . 1 . . . . 251 GLN N . 17384 1 6 . 1 1 5 5 THR H H 1 8.2370 0.04 . 1 . . . . 252 THR HN . 17384 1 7 . 1 1 5 5 THR C C 13 174.5923 0.05 . 1 . . . . 252 THR C . 17384 1 8 . 1 1 5 5 THR CA C 13 61.7144 0.05 . 1 . . . . 252 THR CA . 17384 1 9 . 1 1 5 5 THR CB C 13 71.4879 0.05 . 1 . . . . 252 THR CB . 17384 1 10 . 1 1 5 5 THR N N 15 115.8079 0.05 . 1 . . . . 252 THR N . 17384 1 11 . 1 1 6 6 GLN H H 1 8.4953 0.04 . 1 . . . . 253 GLN HN . 17384 1 12 . 1 1 6 6 GLN C C 13 176.3427 0.05 . 1 . . . . 253 GLN C . 17384 1 13 . 1 1 6 6 GLN CA C 13 55.7770 0.05 . 1 . . . . 253 GLN CA . 17384 1 14 . 1 1 6 6 GLN CB C 13 28.48 0.05 . 1 . . . . 253 GLN CB . 17384 1 15 . 1 1 6 6 GLN N N 15 123.1786 0.05 . 1 . . . . 253 GLN N . 17384 1 16 . 1 1 7 7 GLY H H 1 8.4403 0.04 . 1 . . . . 254 GLY HN . 17384 1 17 . 1 1 7 7 GLY C C 13 173.9337 0.05 . 1 . . . . 254 GLY C . 17384 1 18 . 1 1 7 7 GLY CA C 13 44.9262 0.05 . 1 . . . . 254 GLY CA . 17384 1 19 . 1 1 7 7 GLY N N 15 110.3092 0.05 . 1 . . . . 254 GLY N . 17384 1 20 . 1 1 8 8 LEU H H 1 8.0776 0.04 . 1 . . . . 255 LEU HN . 17384 1 21 . 1 1 8 8 LEU C C 13 177.2111 0.05 . 1 . . . . 255 LEU C . 17384 1 22 . 1 1 8 8 LEU CA C 13 54.6428 0.05 . 1 . . . . 255 LEU CA . 17384 1 23 . 1 1 8 8 LEU CB C 13 41.6912 0.05 . 1 . . . . 255 LEU CB . 17384 1 24 . 1 1 8 8 LEU N N 15 121.6980 0.05 . 1 . . . . 255 LEU N . 17384 1 25 . 1 1 9 9 ALA H H 1 8.2763 0.04 . 1 . . . . 256 ALA HN . 17384 1 26 . 1 1 9 9 ALA C C 13 177.6828 0.05 . 1 . . . . 256 ALA C . 17384 1 27 . 1 1 9 9 ALA CA C 13 52.0326 0.05 . 1 . . . . 256 ALA CA . 17384 1 28 . 1 1 9 9 ALA CB C 13 18.0109 0.05 . 1 . . . . 256 ALA CB . 17384 1 29 . 1 1 9 9 ALA N N 15 125.0212 0.05 . 1 . . . . 256 ALA N . 17384 1 30 . 1 1 10 10 LYS H H 1 8.2366 0.04 . 1 . . . . 257 LYS HN . 17384 1 31 . 1 1 10 10 LYS C C 13 176.3165 0.05 . 1 . . . . 257 LYS C . 17384 1 32 . 1 1 10 10 LYS CA C 13 55.8742 0.05 . 1 . . . . 257 LYS CA . 17384 1 33 . 1 1 10 10 LYS CB C 13 32.4665 0.05 . 1 . . . . 257 LYS CB . 17384 1 34 . 1 1 10 10 LYS N N 15 120.6209 0.05 . 1 . . . . 257 LYS N . 17384 1 35 . 1 1 11 11 ASP H H 1 8.3903 0.04 . 1 . . . . 258 ASP HN . 17384 1 36 . 1 1 11 11 ASP CA C 13 53.1833 0.05 . 1 . . . . 258 ASP CA . 17384 1 37 . 1 1 11 11 ASP CB C 13 42.0188 0.05 . 1 . . . . 258 ASP CB . 17384 1 38 . 1 1 11 11 ASP N N 15 122.1095 0.05 . 1 . . . . 258 ASP N . 17384 1 39 . 1 1 12 12 ALA H H 1 8.1680 0.04 . 1 . . . . 259 ALA HN . 17384 1 40 . 1 1 12 12 ALA C C 13 177.9320 0.05 . 1 . . . . 259 ALA C . 17384 1 41 . 1 1 12 12 ALA CA C 13 53.4065 0.05 . 1 . . . . 259 ALA CA . 17384 1 42 . 1 1 12 12 ALA CB C 13 17.0046 0.05 . 1 . . . . 259 ALA CB . 17384 1 43 . 1 1 12 12 ALA N N 15 122.4108 0.05 . 1 . . . . 259 ALA N . 17384 1 44 . 1 1 13 13 TRP H H 1 8.4725 0.04 . 1 . . . . 260 TRP HN . 17384 1 45 . 1 1 13 13 TRP C C 13 175.8170 0.05 . 1 . . . . 260 TRP C . 17384 1 46 . 1 1 13 13 TRP CA C 13 57.6213 0.05 . 1 . . . . 260 TRP CA . 17384 1 47 . 1 1 13 13 TRP CB C 13 28.8825 0.05 . 1 . . . . 260 TRP CB . 17384 1 48 . 1 1 13 13 TRP N N 15 117.9070 0.05 . 1 . . . . 260 TRP N . 17384 1 49 . 1 1 14 14 GLU C C 13 177.8008 0.05 . 1 . . . . 261 GLU C . 17384 1 50 . 1 1 14 14 GLU CA C 13 56.1692 0.05 . 1 . . . . 261 GLU CA . 17384 1 51 . 1 1 14 14 GLU CB C 13 29.9580 0.05 . 1 . . . . 261 GLU CB . 17384 1 52 . 1 1 15 15 ILE H H 1 8.1320 0.04 . 1 . . . . 262 ILE HN . 17384 1 53 . 1 1 15 15 ILE C C 13 173.3782 0.05 . 1 . . . . 262 ILE C . 17384 1 54 . 1 1 15 15 ILE CA C 13 58.0256 0.05 . 1 . . . . 262 ILE CA . 17384 1 55 . 1 1 15 15 ILE CB C 13 39.1937 0.05 . 1 . . . . 262 ILE CB . 17384 1 56 . 1 1 15 15 ILE N N 15 120.2197 0.05 . 1 . . . . 262 ILE N . 17384 1 57 . 1 1 16 16 PRO C C 13 179.6671 0.05 . 1 . . . . 263 PRO C . 17384 1 58 . 1 1 16 16 PRO CA C 13 61.5351 0.05 . 1 . . . . 263 PRO CA . 17384 1 59 . 1 1 16 16 PRO CB C 13 31.7141 0.05 . 1 . . . . 263 PRO CB . 17384 1 60 . 1 1 17 17 ARG H H 1 9.4286 0.04 . 1 . . . . 264 ARG HN . 17384 1 61 . 1 1 17 17 ARG C C 13 177.9989 0.05 . 1 . . . . 264 ARG C . 17384 1 62 . 1 1 17 17 ARG CA C 13 59.5048 0.05 . 1 . . . . 264 ARG CA . 17384 1 63 . 1 1 17 17 ARG CB C 13 29.1486 0.05 . 1 . . . . 264 ARG CB . 17384 1 64 . 1 1 17 17 ARG N N 15 128.9978 0.05 . 1 . . . . 264 ARG N . 17384 1 65 . 1 1 18 18 GLU H H 1 9.4165 0.04 . 1 . . . . 265 GLU HN . 17384 1 66 . 1 1 18 18 GLU C C 13 176.8564 0.05 . 1 . . . . 265 GLU C . 17384 1 67 . 1 1 18 18 GLU CA C 13 58.2143 0.05 . 1 . . . . 265 GLU CA . 17384 1 68 . 1 1 18 18 GLU CB C 13 27.4755 0.05 . 1 . . . . 265 GLU CB . 17384 1 69 . 1 1 18 18 GLU N N 15 115.4394 0.05 . 1 . . . . 265 GLU N . 17384 1 70 . 1 1 19 19 SER H H 1 7.9070 0.04 . 1 . . . . 266 SER HN . 17384 1 71 . 1 1 19 19 SER C C 13 173.1653 0.05 . 1 . . . . 266 SER C . 17384 1 72 . 1 1 19 19 SER CA C 13 59.8119 0.05 . 1 . . . . 266 SER CA . 17384 1 73 . 1 1 19 19 SER CB C 13 63.7529 0.05 . 1 . . . . 266 SER CB . 17384 1 74 . 1 1 19 19 SER N N 15 115.1178 0.05 . 1 . . . . 266 SER N . 17384 1 75 . 1 1 20 20 LEU H H 1 7.9350 0.04 . 1 . . . . 267 LEU HN . 17384 1 76 . 1 1 20 20 LEU C C 13 175.8589 0.05 . 1 . . . . 267 LEU C . 17384 1 77 . 1 1 20 20 LEU CA C 13 52.9931 0.05 . 1 . . . . 267 LEU CA . 17384 1 78 . 1 1 20 20 LEU CB C 13 44.8028 0.05 . 1 . . . . 267 LEU CB . 17384 1 79 . 1 1 20 20 LEU N N 15 123.7616 0.05 . 1 . . . . 267 LEU N . 17384 1 80 . 1 1 21 21 ARG H H 1 8.5422 0.04 . 1 . . . . 268 ARG HN . 17384 1 81 . 1 1 21 21 ARG C C 13 174.7954 0.05 . 1 . . . . 268 ARG C . 17384 1 82 . 1 1 21 21 ARG CA C 13 54.2103 0.05 . 1 . . . . 268 ARG CA . 17384 1 83 . 1 1 21 21 ARG CB C 13 31.8631 0.05 . 1 . . . . 268 ARG CB . 17384 1 84 . 1 1 21 21 ARG N N 15 121.3982 0.05 . 1 . . . . 268 ARG N . 17384 1 85 . 1 1 22 22 LEU H H 1 8.7497 0.04 . 1 . . . . 269 LEU HN . 17384 1 86 . 1 1 22 22 LEU C C 13 176.3784 0.05 . 1 . . . . 269 LEU C . 17384 1 87 . 1 1 22 22 LEU CA C 13 56.8293 0.05 . 1 . . . . 269 LEU CA . 17384 1 88 . 1 1 22 22 LEU CB C 13 38.8434 0.05 . 1 . . . . 269 LEU CB . 17384 1 89 . 1 1 22 22 LEU N N 15 129.3384 0.05 . 1 . . . . 269 LEU N . 17384 1 90 . 1 1 23 23 GLU H H 1 8.7810 0.04 . 1 . . . . 270 GLU HN . 17384 1 91 . 1 1 23 23 GLU C C 13 176.3047 0.05 . 1 . . . . 270 GLU C . 17384 1 92 . 1 1 23 23 GLU CA C 13 58.4153 0.05 . 1 . . . . 270 GLU CA . 17384 1 93 . 1 1 23 23 GLU CB C 13 31.1989 0.05 . 1 . . . . 270 GLU CB . 17384 1 94 . 1 1 23 23 GLU N N 15 122.2756 0.05 . 1 . . . . 270 GLU N . 17384 1 95 . 1 1 24 24 VAL H H 1 8.0932 0.04 . 1 . . . . 271 VAL HN . 17384 1 96 . 1 1 24 24 VAL C C 13 173.2716 0.05 . 1 . . . . 271 VAL C . 17384 1 97 . 1 1 24 24 VAL CA C 13 60.7565 0.05 . 1 . . . . 271 VAL CA . 17384 1 98 . 1 1 24 24 VAL CB C 13 35.9803 0.05 . 1 . . . . 271 VAL CB . 17384 1 99 . 1 1 24 24 VAL N N 15 117.7489 0.05 . 1 . . . . 271 VAL N . 17384 1 100 . 1 1 25 25 LYS H H 1 8.5118 0.04 . 1 . . . . 272 LYS HN . 17384 1 101 . 1 1 25 25 LYS C C 13 175.5987 0.05 . 1 . . . . 272 LYS C . 17384 1 102 . 1 1 25 25 LYS CA C 13 56.8264 0.05 . 1 . . . . 272 LYS CA . 17384 1 103 . 1 1 25 25 LYS CB C 13 30.1060 0.05 . 1 . . . . 272 LYS CB . 17384 1 104 . 1 1 25 25 LYS N N 15 131.7808 0.05 . 1 . . . . 272 LYS N . 17384 1 105 . 1 1 26 26 LEU H H 1 9.2435 0.04 . 1 . . . . 273 LEU HN . 17384 1 106 . 1 1 26 26 LEU C C 13 177.7066 0.05 . 1 . . . . 273 LEU C . 17384 1 107 . 1 1 26 26 LEU CA C 13 54.7136 0.05 . 1 . . . . 273 LEU CA . 17384 1 108 . 1 1 26 26 LEU CB C 13 41.8984 0.05 . 1 . . . . 273 LEU CB . 17384 1 109 . 1 1 26 26 LEU N N 15 128.6406 0.05 . 1 . . . . 273 LEU N . 17384 1 110 . 1 1 27 27 GLY H H 1 7.7333 0.04 . 1 . . . . 274 GLY HN . 17384 1 111 . 1 1 27 27 GLY CA C 13 45.0833 0.05 . 1 . . . . 274 GLY CA . 17384 1 112 . 1 1 27 27 GLY N N 15 105.2892 0.05 . 1 . . . . 274 GLY N . 17384 1 113 . 1 1 30 30 CYS C C 13 176.6700 0.05 . 1 . . . . 277 CYS C . 17384 1 114 . 1 1 30 30 CYS CA C 13 59.9399 0.05 . 1 . . . . 277 CYS CA . 17384 1 115 . 1 1 30 30 CYS CB C 13 31.8728 0.05 . 1 . . . . 277 CYS CB . 17384 1 116 . 1 1 31 31 PHE H H 1 8.3854 0.04 . 1 . . . . 278 PHE HN . 17384 1 117 . 1 1 31 31 PHE CA C 13 50.6144 0.05 . 1 . . . . 278 PHE CA . 17384 1 118 . 1 1 31 31 PHE CB C 13 40.3503 0.05 . 1 . . . . 278 PHE CB . 17384 1 119 . 1 1 31 31 PHE N N 15 118.9308 0.05 . 1 . . . . 278 PHE N . 17384 1 120 . 1 1 33 33 GLU C C 13 175.0289 0.05 . 1 . . . . 280 GLU C . 17384 1 121 . 1 1 34 34 VAL H H 1 8.1428 0.04 . 1 . . . . 281 VAL HN . 17384 1 122 . 1 1 34 34 VAL C C 13 174.9170 0.05 . 1 . . . . 281 VAL C . 17384 1 123 . 1 1 34 34 VAL CA C 13 60.5324 0.05 . 1 . . . . 281 VAL CA . 17384 1 124 . 1 1 34 34 VAL CB C 13 32.5565 0.05 . 1 . . . . 281 VAL CB . 17384 1 125 . 1 1 34 34 VAL N N 15 119.5768 0.05 . 1 . . . . 281 VAL N . 17384 1 126 . 1 1 35 35 TRP H H 1 9.9084 0.04 . 1 . . . . 282 TRP HN . 17384 1 127 . 1 1 35 35 TRP C C 13 175.2468 0.05 . 1 . . . . 282 TRP C . 17384 1 128 . 1 1 35 35 TRP CA C 13 55.8919 0.05 . 1 . . . . 282 TRP CA . 17384 1 129 . 1 1 35 35 TRP CB C 13 31.7729 0.05 . 1 . . . . 282 TRP CB . 17384 1 130 . 1 1 35 35 TRP N N 15 127.5001 0.05 . 1 . . . . 282 TRP N . 17384 1 131 . 1 1 36 36 MET H H 1 9.6836 0.04 . 1 . . . . 283 MET HN . 17384 1 132 . 1 1 36 36 MET C C 13 176.5271 0.05 . 1 . . . . 283 MET C . 17384 1 133 . 1 1 36 36 MET CA C 13 54.2490 0.05 . 1 . . . . 283 MET CA . 17384 1 134 . 1 1 36 36 MET CB C 13 34.0435 0.05 . 1 . . . . 283 MET CB . 17384 1 135 . 1 1 36 36 MET N N 15 120.2740 0.05 . 1 . . . . 283 MET N . 17384 1 136 . 1 1 37 37 GLY H H 1 8.9860 0.04 . 1 . . . . 284 GLY HN . 17384 1 137 . 1 1 37 37 GLY C C 13 172.0726 0.05 . 1 . . . . 284 GLY C . 17384 1 138 . 1 1 37 37 GLY CA C 13 45.6317 0.05 . 1 . . . . 284 GLY CA . 17384 1 139 . 1 1 37 37 GLY N N 15 115.4095 0.05 . 1 . . . . 284 GLY N . 17384 1 140 . 1 1 38 38 THR H H 1 8.6710 0.04 . 1 . . . . 285 THR HN . 17384 1 141 . 1 1 38 38 THR C C 13 173.3644 0.05 . 1 . . . . 285 THR C . 17384 1 142 . 1 1 38 38 THR CA C 13 61.0522 0.05 . 1 . . . . 285 THR CA . 17384 1 143 . 1 1 38 38 THR CB C 13 71.4344 0.05 . 1 . . . . 285 THR CB . 17384 1 144 . 1 1 38 38 THR N N 15 114.2884 0.05 . 1 . . . . 285 THR N . 17384 1 145 . 1 1 39 39 TRP H H 1 9.8759 0.04 . 1 . . . . 286 TRP HN . 17384 1 146 . 1 1 39 39 TRP C C 13 175.5038 0.05 . 1 . . . . 286 TRP C . 17384 1 147 . 1 1 39 39 TRP CA C 13 53.2392 0.05 . 1 . . . . 286 TRP CA . 17384 1 148 . 1 1 39 39 TRP CB C 13 32.1873 0.05 . 1 . . . . 286 TRP CB . 17384 1 149 . 1 1 39 39 TRP N N 15 129.4314 0.05 . 1 . . . . 286 TRP N . 17384 1 150 . 1 1 40 40 ASN H H 1 9.7277 0.04 . 1 . . . . 287 ASN HN . 17384 1 151 . 1 1 40 40 ASN C C 13 175.5430 0.05 . 1 . . . . 287 ASN C . 17384 1 152 . 1 1 40 40 ASN CA C 13 53.5706 0.05 . 1 . . . . 287 ASN CA . 17384 1 153 . 1 1 40 40 ASN CB C 13 35.8148 0.05 . 1 . . . . 287 ASN CB . 17384 1 154 . 1 1 40 40 ASN N N 15 124.7919 0.05 . 1 . . . . 287 ASN N . 17384 1 155 . 1 1 41 41 GLY H H 1 9.0101 0.04 . 1 . . . . 288 GLY HN . 17384 1 156 . 1 1 41 41 GLY C C 13 175.2100 0.05 . 1 . . . . 288 GLY C . 17384 1 157 . 1 1 41 41 GLY CA C 13 45.9583 0.05 . 1 . . . . 288 GLY CA . 17384 1 158 . 1 1 41 41 GLY N N 15 105.9664 0.05 . 1 . . . . 288 GLY N . 17384 1 159 . 1 1 42 42 THR H H 1 7.5897 0.04 . 1 . . . . 289 THR HN . 17384 1 160 . 1 1 42 42 THR C C 13 174.6526 0.05 . 1 . . . . 289 THR C . 17384 1 161 . 1 1 42 42 THR CA C 13 62.0983 0.05 . 1 . . . . 289 THR CA . 17384 1 162 . 1 1 42 42 THR CB C 13 70.9763 0.05 . 1 . . . . 289 THR CB . 17384 1 163 . 1 1 42 42 THR N N 15 109.1216 0.05 . 1 . . . . 289 THR N . 17384 1 164 . 1 1 43 43 THR H H 1 7.9541 0.04 . 1 . . . . 290 THR HN . 17384 1 165 . 1 1 43 43 THR C C 13 173.3382 0.05 . 1 . . . . 290 THR C . 17384 1 166 . 1 1 43 43 THR CA C 13 62.5376 0.05 . 1 . . . . 290 THR CA . 17384 1 167 . 1 1 43 43 THR CB C 13 70.2584 0.05 . 1 . . . . 290 THR CB . 17384 1 168 . 1 1 43 43 THR N N 15 120.4269 0.05 . 1 . . . . 290 THR N . 17384 1 169 . 1 1 44 44 ARG H H 1 9.3182 0.04 . 1 . . . . 291 ARG HN . 17384 1 170 . 1 1 44 44 ARG C C 13 175.0826 0.05 . 1 . . . . 291 ARG C . 17384 1 171 . 1 1 44 44 ARG CA C 13 56.6242 0.05 . 1 . . . . 291 ARG CA . 17384 1 172 . 1 1 44 44 ARG CB C 13 29.3262 0.05 . 1 . . . . 291 ARG CB . 17384 1 173 . 1 1 44 44 ARG N N 15 131.5375 0.05 . 1 . . . . 291 ARG N . 17384 1 174 . 1 1 45 45 VAL H H 1 8.5233 0.04 . 1 . . . . 292 VAL HN . 17384 1 175 . 1 1 45 45 VAL C C 13 174.2472 0.05 . 1 . . . . 292 VAL C . 17384 1 176 . 1 1 45 45 VAL CA C 13 59.2174 0.05 . 1 . . . . 292 VAL CA . 17384 1 177 . 1 1 45 45 VAL CB C 13 35.4987 0.05 . 1 . . . . 292 VAL CB . 17384 1 178 . 1 1 45 45 VAL N N 15 115.5456 0.05 . 1 . . . . 292 VAL N . 17384 1 179 . 1 1 46 46 ALA H H 1 8.4097 0.04 . 1 . . . . 293 ALA HN . 17384 1 180 . 1 1 46 46 ALA C C 13 175.8068 0.05 . 1 . . . . 293 ALA C . 17384 1 181 . 1 1 46 46 ALA CA C 13 49.9089 0.05 . 1 . . . . 293 ALA CA . 17384 1 182 . 1 1 46 46 ALA CB C 13 20.6175 0.05 . 1 . . . . 293 ALA CB . 17384 1 183 . 1 1 46 46 ALA N N 15 123.3056 0.05 . 1 . . . . 293 ALA N . 17384 1 184 . 1 1 47 47 ILE H H 1 9.1566 0.04 . 1 . . . . 294 ILE HN . 17384 1 185 . 1 1 47 47 ILE C C 13 174.5928 0.05 . 1 . . . . 294 ILE C . 17384 1 186 . 1 1 47 47 ILE CA C 13 59.8427 0.05 . 1 . . . . 294 ILE CA . 17384 1 187 . 1 1 47 47 ILE CB C 13 42.0402 0.05 . 1 . . . . 294 ILE CB . 17384 1 188 . 1 1 47 47 ILE N N 15 120.0921 0.05 . 1 . . . . 294 ILE N . 17384 1 189 . 1 1 48 48 LYS H H 1 9.6216 0.04 . 1 . . . . 295 LYS HN . 17384 1 190 . 1 1 48 48 LYS C C 13 175.5118 0.05 . 1 . . . . 295 LYS C . 17384 1 191 . 1 1 48 48 LYS CA C 13 54.7192 0.05 . 1 . . . . 295 LYS CA . 17384 1 192 . 1 1 48 48 LYS CB C 13 35.3601 0.05 . 1 . . . . 295 LYS CB . 17384 1 193 . 1 1 48 48 LYS N N 15 129.8956 0.05 . 1 . . . . 295 LYS N . 17384 1 194 . 1 1 49 49 THR C C 13 172.0859 0.05 . 1 . . . . 296 THR C . 17384 1 195 . 1 1 49 49 THR CA C 13 59.0612 0.05 . 1 . . . . 296 THR CA . 17384 1 196 . 1 1 50 50 LEU H H 1 7.6122 0.04 . 1 . . . . 297 LEU HN . 17384 1 197 . 1 1 50 50 LEU CA C 13 52.3574 0.05 . 1 . . . . 297 LEU CA . 17384 1 198 . 1 1 50 50 LEU CB C 13 40.6392 0.05 . 1 . . . . 297 LEU CB . 17384 1 199 . 1 1 50 50 LEU N N 15 122.6259 0.05 . 1 . . . . 297 LEU N . 17384 1 200 . 1 1 52 52 PRO C C 13 175.7531 0.05 . 1 . . . . 299 PRO C . 17384 1 201 . 1 1 52 52 PRO CA C 13 63.7058 0.05 . 1 . . . . 299 PRO CA . 17384 1 202 . 1 1 52 52 PRO CB C 13 31.0843 0.05 . 1 . . . . 299 PRO CB . 17384 1 203 . 1 1 53 53 GLY H H 1 9.1038 0.04 . 1 . . . . 300 GLY HN . 17384 1 204 . 1 1 53 53 GLY C C 13 178.6136 0.05 . 1 . . . . 300 GLY C . 17384 1 205 . 1 1 53 53 GLY CA C 13 45.0480 0.05 . 1 . . . . 300 GLY CA . 17384 1 206 . 1 1 53 53 GLY N N 15 111.5225 0.05 . 1 . . . . 300 GLY N . 17384 1 207 . 1 1 54 54 THR H H 1 8.0379 0.04 . 1 . . . . 301 THR HN . 17384 1 208 . 1 1 54 54 THR C C 13 174.9454 0.05 . 1 . . . . 301 THR C . 17384 1 209 . 1 1 54 54 THR CA C 13 56.6609 0.05 . 1 . . . . 301 THR CA . 17384 1 210 . 1 1 54 54 THR CB C 13 68.6617 0.05 . 1 . . . . 301 THR CB . 17384 1 211 . 1 1 54 54 THR N N 15 111.5184 0.05 . 1 . . . . 301 THR N . 17384 1 212 . 1 1 55 55 MET H H 1 7.8555 0.04 . 1 . . . . 302 MET HN . 17384 1 213 . 1 1 55 55 MET CA C 13 54.5376 0.05 . 1 . . . . 302 MET CA . 17384 1 214 . 1 1 55 55 MET CB C 13 36.4510 0.05 . 1 . . . . 302 MET CB . 17384 1 215 . 1 1 55 55 MET N N 15 120.0822 0.05 . 1 . . . . 302 MET N . 17384 1 216 . 1 1 57 57 PRO C C 13 178.1001 0.05 . 1 . . . . 304 PRO C . 17384 1 217 . 1 1 57 57 PRO CA C 13 65.4666 0.05 . 1 . . . . 304 PRO CA . 17384 1 218 . 1 1 57 57 PRO CB C 13 31.4163 0.05 . 1 . . . . 304 PRO CB . 17384 1 219 . 1 1 58 58 GLU H H 1 8.6119 0.04 . 1 . . . . 305 GLU HN . 17384 1 220 . 1 1 58 58 GLU C C 13 179.1029 0.05 . 1 . . . . 305 GLU C . 17384 1 221 . 1 1 58 58 GLU CA C 13 59.7164 0.05 . 1 . . . . 305 GLU CA . 17384 1 222 . 1 1 58 58 GLU CB C 13 28.1749 0.05 . 1 . . . . 305 GLU CB . 17384 1 223 . 1 1 58 58 GLU N N 15 115.5780 0.05 . 1 . . . . 305 GLU N . 17384 1 224 . 1 1 59 59 ALA H H 1 7.8235 0.04 . 1 . . . . 306 ALA HN . 17384 1 225 . 1 1 59 59 ALA C C 13 180.7241 0.05 . 1 . . . . 306 ALA C . 17384 1 226 . 1 1 59 59 ALA CA C 13 54.3128 0.05 . 1 . . . . 306 ALA CA . 17384 1 227 . 1 1 59 59 ALA CB C 13 17.6836 0.05 . 1 . . . . 306 ALA CB . 17384 1 228 . 1 1 59 59 ALA N N 15 122.4578 0.05 . 1 . . . . 306 ALA N . 17384 1 229 . 1 1 60 60 PHE H H 1 8.2432 0.04 . 1 . . . . 307 PHE HN . 17384 1 230 . 1 1 60 60 PHE C C 13 177.9250 0.05 . 1 . . . . 307 PHE C . 17384 1 231 . 1 1 60 60 PHE CA C 13 61.0629 0.05 . 1 . . . . 307 PHE CA . 17384 1 232 . 1 1 60 60 PHE CB C 13 40.0720 0.05 . 1 . . . . 307 PHE CB . 17384 1 233 . 1 1 60 60 PHE N N 15 121.1318 0.05 . 1 . . . . 307 PHE N . 17384 1 234 . 1 1 61 61 LEU H H 1 8.6888 0.04 . 1 . . . . 308 LEU HN . 17384 1 235 . 1 1 61 61 LEU C C 13 178.9502 0.05 . 1 . . . . 308 LEU C . 17384 1 236 . 1 1 61 61 LEU CA C 13 56.3238 0.05 . 1 . . . . 308 LEU CA . 17384 1 237 . 1 1 61 61 LEU CB C 13 40.8812 0.05 . 1 . . . . 308 LEU CB . 17384 1 238 . 1 1 61 61 LEU N N 15 116.1557 0.05 . 1 . . . . 308 LEU N . 17384 1 239 . 1 1 62 62 GLN H H 1 7.7347 0.04 . 1 . . . . 309 GLN HN . 17384 1 240 . 1 1 62 62 GLN C C 13 178.2005 0.05 . 1 . . . . 309 GLN C . 17384 1 241 . 1 1 62 62 GLN CA C 13 58.9255 0.05 . 1 . . . . 309 GLN CA . 17384 1 242 . 1 1 62 62 GLN CB C 13 26.7482 0.05 . 1 . . . . 309 GLN CB . 17384 1 243 . 1 1 62 62 GLN N N 15 122.2261 0.05 . 1 . . . . 309 GLN N . 17384 1 244 . 1 1 63 63 GLU H H 1 7.3168 0.04 . 1 . . . . 310 GLU HN . 17384 1 245 . 1 1 63 63 GLU C C 13 178.1028 0.05 . 1 . . . . 310 GLU C . 17384 1 246 . 1 1 63 63 GLU CA C 13 58.7456 0.05 . 1 . . . . 310 GLU CA . 17384 1 247 . 1 1 63 63 GLU CB C 13 28.8806 0.05 . 1 . . . . 310 GLU CB . 17384 1 248 . 1 1 63 63 GLU N N 15 118.0168 0.05 . 1 . . . . 310 GLU N . 17384 1 249 . 1 1 64 64 ALA H H 1 6.7567 0.04 . 1 . . . . 311 ALA HN . 17384 1 250 . 1 1 64 64 ALA C C 13 178.0986 0.05 . 1 . . . . 311 ALA C . 17384 1 251 . 1 1 64 64 ALA CA C 13 53.9641 0.05 . 1 . . . . 311 ALA CA . 17384 1 252 . 1 1 64 64 ALA CB C 13 17.0517 0.05 . 1 . . . . 311 ALA CB . 17384 1 253 . 1 1 64 64 ALA N N 15 118.7594 0.05 . 1 . . . . 311 ALA N . 17384 1 254 . 1 1 65 65 GLN H H 1 7.6461 0.04 . 1 . . . . 312 GLN HN . 17384 1 255 . 1 1 65 65 GLN C C 13 179.4840 0.05 . 1 . . . . 312 GLN C . 17384 1 256 . 1 1 65 65 GLN CA C 13 57.9253 0.05 . 1 . . . . 312 GLN CA . 17384 1 257 . 1 1 65 65 GLN CB C 13 26.9350 0.05 . 1 . . . . 312 GLN CB . 17384 1 258 . 1 1 65 65 GLN N N 15 114.9645 0.05 . 1 . . . . 312 GLN N . 17384 1 259 . 1 1 66 66 VAL H H 1 7.5873 0.04 . 1 . . . . 313 VAL HN . 17384 1 260 . 1 1 66 66 VAL C C 13 177.7866 0.05 . 1 . . . . 313 VAL C . 17384 1 261 . 1 1 66 66 VAL CA C 13 65.6121 0.05 . 1 . . . . 313 VAL CA . 17384 1 262 . 1 1 66 66 VAL CB C 13 30.8146 0.05 . 1 . . . . 313 VAL CB . 17384 1 263 . 1 1 66 66 VAL N N 15 119.2023 0.05 . 1 . . . . 313 VAL N . 17384 1 264 . 1 1 67 67 MET H H 1 7.5758 0.04 . 1 . . . . 314 MET HN . 17384 1 265 . 1 1 67 67 MET C C 13 177.6602 0.05 . 1 . . . . 314 MET C . 17384 1 266 . 1 1 67 67 MET CA C 13 58.6650 0.05 . 1 . . . . 314 MET CA . 17384 1 267 . 1 1 67 67 MET CB C 13 34.5172 0.05 . 1 . . . . 314 MET CB . 17384 1 268 . 1 1 67 67 MET N N 15 118.0962 0.05 . 1 . . . . 314 MET N . 17384 1 269 . 1 1 68 68 LYS H H 1 7.5038 0.04 . 1 . . . . 315 LYS HN . 17384 1 270 . 1 1 68 68 LYS C C 13 177.8128 0.05 . 1 . . . . 315 LYS C . 17384 1 271 . 1 1 68 68 LYS CA C 13 58.7554 0.05 . 1 . . . . 315 LYS CA . 17384 1 272 . 1 1 68 68 LYS CB C 13 32.5504 0.05 . 1 . . . . 315 LYS CB . 17384 1 273 . 1 1 68 68 LYS N N 15 117.3793 0.05 . 1 . . . . 315 LYS N . 17384 1 274 . 1 1 69 69 LYS H H 1 7.1329 0.04 . 1 . . . . 316 LYS HN . 17384 1 275 . 1 1 69 69 LYS C C 13 176.8365 0.05 . 1 . . . . 316 LYS C . 17384 1 276 . 1 1 69 69 LYS CA C 13 56.1080 0.05 . 1 . . . . 316 LYS CA . 17384 1 277 . 1 1 69 69 LYS CB C 13 32.4447 0.05 . 1 . . . . 316 LYS CB . 17384 1 278 . 1 1 69 69 LYS N N 15 115.4007 0.05 . 1 . . . . 316 LYS N . 17384 1 279 . 1 1 70 70 LEU H H 1 7.5267 0.04 . 1 . . . . 317 LEU HN . 17384 1 280 . 1 1 70 70 LEU C C 13 174.2236 0.05 . 1 . . . . 317 LEU C . 17384 1 281 . 1 1 70 70 LEU CA C 13 53.0926 0.05 . 1 . . . . 317 LEU CA . 17384 1 282 . 1 1 70 70 LEU CB C 13 40.3559 0.05 . 1 . . . . 317 LEU CB . 17384 1 283 . 1 1 70 70 LEU N N 15 121.0289 0.05 . 1 . . . . 317 LEU N . 17384 1 284 . 1 1 71 71 ARG H H 1 7.8465 0.04 . 1 . . . . 318 ARG HN . 17384 1 285 . 1 1 71 71 ARG C C 13 173.5019 0.05 . 1 . . . . 318 ARG C . 17384 1 286 . 1 1 71 71 ARG CA C 13 54.1542 0.05 . 1 . . . . 318 ARG CA . 17384 1 287 . 1 1 71 71 ARG CB C 13 29.8993 0.05 . 1 . . . . 318 ARG CB . 17384 1 288 . 1 1 71 71 ARG N N 15 122.7013 0.05 . 1 . . . . 318 ARG N . 17384 1 289 . 1 1 72 72 HIS H H 1 8.2585 0.04 . 1 . . . . 319 HIS HN . 17384 1 290 . 1 1 72 72 HIS C C 13 175.1077 0.05 . 1 . . . . 319 HIS C . 17384 1 291 . 1 1 72 72 HIS CA C 13 57.3853 0.05 . 1 . . . . 319 HIS CA . 17384 1 292 . 1 1 72 72 HIS CB C 13 33.7450 0.05 . 1 . . . . 319 HIS CB . 17384 1 293 . 1 1 72 72 HIS N N 15 124.2542 0.05 . 1 . . . . 319 HIS N . 17384 1 294 . 1 1 73 73 GLU H H 1 7.8782 0.04 . 1 . . . . 320 GLU HN . 17384 1 295 . 1 1 73 73 GLU C C 13 176.6401 0.05 . 1 . . . . 320 GLU C . 17384 1 296 . 1 1 73 73 GLU CA C 13 58.8556 0.05 . 1 . . . . 320 GLU CA . 17384 1 297 . 1 1 73 73 GLU CB C 13 28.6102 0.05 . 1 . . . . 320 GLU CB . 17384 1 298 . 1 1 73 73 GLU N N 15 124.8784 0.05 . 1 . . . . 320 GLU N . 17384 1 299 . 1 1 74 74 LYS H H 1 10.5204 0.04 . 1 . . . . 321 LYS HN . 17384 1 300 . 1 1 74 74 LYS C C 13 174.7322 0.05 . 1 . . . . 321 LYS C . 17384 1 301 . 1 1 74 74 LYS CA C 13 52.8463 0.05 . 1 . . . . 321 LYS CA . 17384 1 302 . 1 1 74 74 LYS CB C 13 29.0247 0.05 . 1 . . . . 321 LYS CB . 17384 1 303 . 1 1 74 74 LYS N N 15 119.2759 0.05 . 1 . . . . 321 LYS N . 17384 1 304 . 1 1 75 75 LEU H H 1 7.8111 0.04 . 1 . . . . 322 LEU HN . 17384 1 305 . 1 1 75 75 LEU C C 13 176.4743 0.05 . 1 . . . . 322 LEU C . 17384 1 306 . 1 1 75 75 LEU CA C 13 53.0523 0.05 . 1 . . . . 322 LEU CA . 17384 1 307 . 1 1 75 75 LEU CB C 13 43.8482 0.05 . 1 . . . . 322 LEU CB . 17384 1 308 . 1 1 75 75 LEU N N 15 121.9973 0.05 . 1 . . . . 322 LEU N . 17384 1 309 . 1 1 76 76 VAL H H 1 7.8680 0.04 . 1 . . . . 323 VAL HN . 17384 1 310 . 1 1 76 76 VAL C C 13 174.1146 0.05 . 1 . . . . 323 VAL C . 17384 1 311 . 1 1 76 76 VAL CA C 13 63.4348 0.05 . 1 . . . . 323 VAL CA . 17384 1 312 . 1 1 76 76 VAL CB C 13 31.1194 0.05 . 1 . . . . 323 VAL CB . 17384 1 313 . 1 1 76 76 VAL N N 15 123.3011 0.05 . 1 . . . . 323 VAL N . 17384 1 314 . 1 1 77 77 GLN H H 1 9.4394 0.04 . 1 . . . . 324 GLN HN . 17384 1 315 . 1 1 77 77 GLN C C 13 175.6405 0.05 . 1 . . . . 324 GLN C . 17384 1 316 . 1 1 77 77 GLN CA C 13 54.8225 0.05 . 1 . . . . 324 GLN CA . 17384 1 317 . 1 1 77 77 GLN CB C 13 29.8524 0.05 . 1 . . . . 324 GLN CB . 17384 1 318 . 1 1 77 77 GLN N N 15 127.0670 0.05 . 1 . . . . 324 GLN N . 17384 1 319 . 1 1 78 78 LEU H H 1 8.3310 0.04 . 1 . . . . 325 LEU HN . 17384 1 320 . 1 1 78 78 LEU C C 13 176.0222 0.05 . 1 . . . . 325 LEU C . 17384 1 321 . 1 1 78 78 LEU CA C 13 55.1203 0.05 . 1 . . . . 325 LEU CA . 17384 1 322 . 1 1 78 78 LEU CB C 13 41.9401 0.05 . 1 . . . . 325 LEU CB . 17384 1 323 . 1 1 78 78 LEU N N 15 125.6733 0.05 . 1 . . . . 325 LEU N . 17384 1 324 . 1 1 79 79 TYR H H 1 9.6260 0.04 . 1 . . . . 326 TYR HN . 17384 1 325 . 1 1 79 79 TYR C C 13 175.9233 0.05 . 1 . . . . 326 TYR C . 17384 1 326 . 1 1 79 79 TYR CA C 13 54.6421 0.05 . 1 . . . . 326 TYR CA . 17384 1 327 . 1 1 79 79 TYR CB C 13 38.5844 0.05 . 1 . . . . 326 TYR CB . 17384 1 328 . 1 1 79 79 TYR N N 15 125.0851 0.05 . 1 . . . . 326 TYR N . 17384 1 329 . 1 1 80 80 ALA H H 1 8.0560 0.04 . 1 . . . . 327 ALA HN . 17384 1 330 . 1 1 80 80 ALA C C 13 173.6658 0.05 . 1 . . . . 327 ALA C . 17384 1 331 . 1 1 80 80 ALA CA C 13 51.6623 0.05 . 1 . . . . 327 ALA CA . 17384 1 332 . 1 1 80 80 ALA CB C 13 22.3794 0.05 . 1 . . . . 327 ALA CB . 17384 1 333 . 1 1 80 80 ALA N N 15 117.7770 0.05 . 1 . . . . 327 ALA N . 17384 1 334 . 1 1 81 81 VAL H H 1 8.2593 0.04 . 1 . . . . 328 VAL HN . 17384 1 335 . 1 1 81 81 VAL C C 13 173.6721 0.05 . 1 . . . . 328 VAL C . 17384 1 336 . 1 1 81 81 VAL CA C 13 59.6726 0.05 . 1 . . . . 328 VAL CA . 17384 1 337 . 1 1 81 81 VAL CB C 13 35.8379 0.05 . 1 . . . . 328 VAL CB . 17384 1 338 . 1 1 81 81 VAL N N 15 114.1702 0.05 . 1 . . . . 328 VAL N . 17384 1 339 . 1 1 82 82 VAL H H 1 8.5406 0.04 . 1 . . . . 329 VAL HN . 17384 1 340 . 1 1 82 82 VAL C C 13 176.9259 0.05 . 1 . . . . 329 VAL C . 17384 1 341 . 1 1 82 82 VAL CA C 13 61.6505 0.05 . 1 . . . . 329 VAL CA . 17384 1 342 . 1 1 82 82 VAL CB C 13 32.4135 0.05 . 1 . . . . 329 VAL CB . 17384 1 343 . 1 1 82 82 VAL N N 15 122.1868 0.05 . 1 . . . . 329 VAL N . 17384 1 344 . 1 1 83 83 SER H H 1 10.4506 0.04 . 1 . . . . 330 SER HN . 17384 1 345 . 1 1 83 83 SER C C 13 173.5433 0.05 . 1 . . . . 330 SER C . 17384 1 346 . 1 1 83 83 SER CA C 13 60.0201 0.05 . 1 . . . . 330 SER CA . 17384 1 347 . 1 1 83 83 SER CB C 13 62.2435 0.05 . 1 . . . . 330 SER CB . 17384 1 348 . 1 1 83 83 SER N N 15 121.8842 0.05 . 1 . . . . 330 SER N . 17384 1 349 . 1 1 84 84 GLU H H 1 6.8080 0.04 . 1 . . . . 331 GLU HN . 17384 1 350 . 1 1 84 84 GLU C C 13 175.1337 0.05 . 1 . . . . 331 GLU C . 17384 1 351 . 1 1 84 84 GLU CA C 13 53.5313 0.05 . 1 . . . . 331 GLU CA . 17384 1 352 . 1 1 84 84 GLU CB C 13 31.1148 0.05 . 1 . . . . 331 GLU CB . 17384 1 353 . 1 1 84 84 GLU N N 15 119.5742 0.05 . 1 . . . . 331 GLU N . 17384 1 354 . 1 1 85 85 GLU H H 1 8.5984 0.04 . 1 . . . . 332 GLU HN . 17384 1 355 . 1 1 85 85 GLU C C 13 175.5319 0.05 . 1 . . . . 332 GLU C . 17384 1 356 . 1 1 85 85 GLU CA C 13 55.6588 0.05 . 1 . . . . 332 GLU CA . 17384 1 357 . 1 1 85 85 GLU CB C 13 29.4422 0.05 . 1 . . . . 332 GLU CB . 17384 1 358 . 1 1 85 85 GLU N N 15 122.4493 0.05 . 1 . . . . 332 GLU N . 17384 1 359 . 1 1 86 86 PRO C C 13 176.2917 0.05 . 1 . . . . 333 PRO C . 17384 1 360 . 1 1 86 86 PRO CA C 13 64.8941 0.05 . 1 . . . . 333 PRO CA . 17384 1 361 . 1 1 87 87 ILE H H 1 8.0938 0.04 . 1 . . . . 334 ILE HN . 17384 1 362 . 1 1 87 87 ILE C C 13 176.3211 0.05 . 1 . . . . 334 ILE C . 17384 1 363 . 1 1 87 87 ILE CA C 13 60.7195 0.05 . 1 . . . . 334 ILE CA . 17384 1 364 . 1 1 87 87 ILE CB C 13 37.0916 0.05 . 1 . . . . 334 ILE CB . 17384 1 365 . 1 1 87 87 ILE N N 15 119.5391 0.05 . 1 . . . . 334 ILE N . 17384 1 366 . 1 1 88 88 TYR H H 1 8.6915 0.04 . 1 . . . . 335 TYR HN . 17384 1 367 . 1 1 88 88 TYR C C 13 176.2064 0.05 . 1 . . . . 335 TYR C . 17384 1 368 . 1 1 88 88 TYR CA C 13 52.8881 0.05 . 1 . . . . 335 TYR CA . 17384 1 369 . 1 1 88 88 TYR CB C 13 42.4405 0.05 . 1 . . . . 335 TYR CB . 17384 1 370 . 1 1 88 88 TYR N N 15 121.0670 0.05 . 1 . . . . 335 TYR N . 17384 1 371 . 1 1 89 89 ILE H H 1 9.1821 0.04 . 1 . . . . 336 ILE HN . 17384 1 372 . 1 1 89 89 ILE C C 13 175.1671 0.05 . 1 . . . . 336 ILE C . 17384 1 373 . 1 1 89 89 ILE CA C 13 62.2052 0.05 . 1 . . . . 336 ILE CA . 17384 1 374 . 1 1 89 89 ILE CB C 13 40.7382 0.05 . 1 . . . . 336 ILE CB . 17384 1 375 . 1 1 89 89 ILE N N 15 119.9499 0.05 . 1 . . . . 336 ILE N . 17384 1 376 . 1 1 90 90 VAL H H 1 8.5770 0.04 . 1 . . . . 337 VAL HN . 17384 1 377 . 1 1 90 90 VAL C C 13 175.8718 0.05 . 1 . . . . 337 VAL C . 17384 1 378 . 1 1 90 90 VAL CA C 13 60.6800 0.05 . 1 . . . . 337 VAL CA . 17384 1 379 . 1 1 90 90 VAL CB C 13 32.4538 0.05 . 1 . . . . 337 VAL CB . 17384 1 380 . 1 1 90 90 VAL N N 15 127.0514 0.05 . 1 . . . . 337 VAL N . 17384 1 381 . 1 1 91 91 THR H H 1 9.6521 0.04 . 1 . . . . 338 THR HN . 17384 1 382 . 1 1 91 91 THR C C 13 173.1160 0.05 . 1 . . . . 338 THR C . 17384 1 383 . 1 1 91 91 THR CA C 13 59.4752 0.05 . 1 . . . . 338 THR CA . 17384 1 384 . 1 1 91 91 THR CB C 13 73.2521 0.05 . 1 . . . . 338 THR CB . 17384 1 385 . 1 1 91 91 THR N N 15 119.2476 0.05 . 1 . . . . 338 THR N . 17384 1 386 . 1 1 92 92 GLU H H 1 6.6552 0.04 . 1 . . . . 339 GLU HN . 17384 1 387 . 1 1 92 92 GLU C C 13 172.6147 0.05 . 1 . . . . 339 GLU C . 17384 1 388 . 1 1 92 92 GLU CA C 13 55.7174 0.05 . 1 . . . . 339 GLU CA . 17384 1 389 . 1 1 92 92 GLU CB C 13 29.2801 0.05 . 1 . . . . 339 GLU CB . 17384 1 390 . 1 1 92 92 GLU N N 15 114.7303 0.05 . 1 . . . . 339 GLU N . 17384 1 391 . 1 1 93 93 TYR H H 1 8.1179 0.04 . 1 . . . . 340 TYR HN . 17384 1 392 . 1 1 93 93 TYR C C 13 175.3375 0.05 . 1 . . . . 340 TYR C . 17384 1 393 . 1 1 93 93 TYR CA C 13 56.4411 0.05 . 1 . . . . 340 TYR CA . 17384 1 394 . 1 1 93 93 TYR CB C 13 41.0471 0.05 . 1 . . . . 340 TYR CB . 17384 1 395 . 1 1 93 93 TYR N N 15 120.6289 0.05 . 1 . . . . 340 TYR N . 17384 1 396 . 1 1 94 94 MET H H 1 10.3318 0.04 . 1 . . . . 341 MET HN . 17384 1 397 . 1 1 94 94 MET C C 13 172.9798 0.05 . 1 . . . . 341 MET C . 17384 1 398 . 1 1 94 94 MET CA C 13 53.2159 0.05 . 1 . . . . 341 MET CA . 17384 1 399 . 1 1 94 94 MET N N 15 131.7162 0.05 . 1 . . . . 341 MET N . 17384 1 400 . 1 1 95 95 SER C C 13 176.0893 0.05 . 1 . . . . 342 SER C . 17384 1 401 . 1 1 95 95 SER CA C 13 61.7402 0.05 . 1 . . . . 342 SER CA . 17384 1 402 . 1 1 95 95 SER CB C 13 63.1299 0.05 . 1 . . . . 342 SER CB . 17384 1 403 . 1 1 96 96 LYS H H 1 8.3639 0.04 . 1 . . . . 343 LYS HN . 17384 1 404 . 1 1 96 96 LYS C C 13 176.8216 0.05 . 1 . . . . 343 LYS C . 17384 1 405 . 1 1 96 96 LYS CA C 13 54.9915 0.05 . 1 . . . . 343 LYS CA . 17384 1 406 . 1 1 96 96 LYS N N 15 119.2059 0.05 . 1 . . . . 343 LYS N . 17384 1 407 . 1 1 97 97 GLY H H 1 7.5767 0.04 . 1 . . . . 344 GLY HN . 17384 1 408 . 1 1 97 97 GLY C C 13 172.1017 0.05 . 1 . . . . 344 GLY C . 17384 1 409 . 1 1 97 97 GLY CA C 13 44.8282 0.05 . 1 . . . . 344 GLY CA . 17384 1 410 . 1 1 97 97 GLY N N 15 106.0124 0.05 . 1 . . . . 344 GLY N . 17384 1 411 . 1 1 98 98 SER H H 1 8.8280 0.04 . 1 . . . . 345 SER HN . 17384 1 412 . 1 1 98 98 SER C C 13 176.2437 0.05 . 1 . . . . 345 SER C . 17384 1 413 . 1 1 98 98 SER CA C 13 57.1537 0.05 . 1 . . . . 345 SER CA . 17384 1 414 . 1 1 98 98 SER CB C 13 64.3114 0.05 . 1 . . . . 345 SER CB . 17384 1 415 . 1 1 98 98 SER N N 15 115.3213 0.05 . 1 . . . . 345 SER N . 17384 1 416 . 1 1 99 99 LEU H H 1 9.4059 0.04 . 1 . . . . 346 LEU HN . 17384 1 417 . 1 1 99 99 LEU C C 13 177.3882 0.05 . 1 . . . . 346 LEU C . 17384 1 418 . 1 1 99 99 LEU CA C 13 57.0773 0.05 . 1 . . . . 346 LEU CA . 17384 1 419 . 1 1 99 99 LEU CB C 13 39.9820 0.05 . 1 . . . . 346 LEU CB . 17384 1 420 . 1 1 99 99 LEU N N 15 126.0091 0.05 . 1 . . . . 346 LEU N . 17384 1 421 . 1 1 100 100 LEU H H 1 6.8530 0.04 . 1 . . . . 347 LEU HN . 17384 1 422 . 1 1 100 100 LEU C C 13 176.9767 0.05 . 1 . . . . 347 LEU C . 17384 1 423 . 1 1 100 100 LEU CA C 13 57.8454 0.05 . 1 . . . . 347 LEU CA . 17384 1 424 . 1 1 100 100 LEU CB C 13 40.3438 0.05 . 1 . . . . 347 LEU CB . 17384 1 425 . 1 1 100 100 LEU N N 15 117.0612 0.05 . 1 . . . . 347 LEU N . 17384 1 426 . 1 1 101 101 ASP H H 1 7.0788 0.04 . 1 . . . . 348 ASP HN . 17384 1 427 . 1 1 101 101 ASP C C 13 179.0617 0.05 . 1 . . . . 348 ASP C . 17384 1 428 . 1 1 101 101 ASP CA C 13 56.9369 0.05 . 1 . . . . 348 ASP CA . 17384 1 429 . 1 1 101 101 ASP CB C 13 39.7849 0.05 . 1 . . . . 348 ASP CB . 17384 1 430 . 1 1 101 101 ASP N N 15 115.8150 0.05 . 1 . . . . 348 ASP N . 17384 1 431 . 1 1 102 102 PHE H H 1 8.5590 0.04 . 1 . . . . 349 PHE HN . 17384 1 432 . 1 1 102 102 PHE C C 13 178.3304 0.05 . 1 . . . . 349 PHE C . 17384 1 433 . 1 1 102 102 PHE CA C 13 60.9415 0.05 . 1 . . . . 349 PHE CA . 17384 1 434 . 1 1 102 102 PHE CB C 13 39.0549 0.05 . 1 . . . . 349 PHE CB . 17384 1 435 . 1 1 102 102 PHE N N 15 122.6998 0.05 . 1 . . . . 349 PHE N . 17384 1 436 . 1 1 103 103 LEU H H 1 8.5960 0.04 . 1 . . . . 350 LEU HN . 17384 1 437 . 1 1 103 103 LEU C C 13 176.8410 0.05 . 1 . . . . 350 LEU C . 17384 1 438 . 1 1 103 103 LEU CA C 13 56.7104 0.05 . 1 . . . . 350 LEU CA . 17384 1 439 . 1 1 103 103 LEU CB C 13 41.4573 0.05 . 1 . . . . 350 LEU CB . 17384 1 440 . 1 1 103 103 LEU N N 15 117.0071 0.05 . 1 . . . . 350 LEU N . 17384 1 441 . 1 1 104 104 LYS H H 1 7.1322 0.04 . 1 . . . . 351 LYS HN . 17384 1 442 . 1 1 104 104 LYS C C 13 177.7757 0.05 . 1 . . . . 351 LYS C . 17384 1 443 . 1 1 104 104 LYS CA C 13 56.9471 0.05 . 1 . . . . 351 LYS CA . 17384 1 444 . 1 1 104 104 LYS CB C 13 32.5645 0.05 . 1 . . . . 351 LYS CB . 17384 1 445 . 1 1 104 104 LYS N N 15 112.0367 0.05 . 1 . . . . 351 LYS N . 17384 1 446 . 1 1 105 105 GLY H H 1 7.2825 0.04 . 1 . . . . 352 GLY HN . 17384 1 447 . 1 1 105 105 GLY C C 13 175.0943 0.05 . 1 . . . . 352 GLY C . 17384 1 448 . 1 1 105 105 GLY CA C 13 44.0503 0.05 . 1 . . . . 352 GLY CA . 17384 1 449 . 1 1 105 105 GLY N N 15 107.4853 0.05 . 1 . . . . 352 GLY N . 17384 1 450 . 1 1 106 106 GLU C C 13 178.3139 0.05 . 1 . . . . 353 GLU C . 17384 1 451 . 1 1 106 106 GLU CA C 13 58.8979 0.05 . 1 . . . . 353 GLU CA . 17384 1 452 . 1 1 106 106 GLU CB C 13 29.1454 0.05 . 1 . . . . 353 GLU CB . 17384 1 453 . 1 1 107 107 MET H H 1 8.5557 0.04 . 1 . . . . 354 MET HN . 17384 1 454 . 1 1 107 107 MET C C 13 179.1715 0.05 . 1 . . . . 354 MET C . 17384 1 455 . 1 1 107 107 MET CA C 13 56.1840 0.05 . 1 . . . . 354 MET CA . 17384 1 456 . 1 1 107 107 MET CB C 13 30.4466 0.05 . 1 . . . . 354 MET CB . 17384 1 457 . 1 1 107 107 MET N N 15 114.5448 0.05 . 1 . . . . 354 MET N . 17384 1 458 . 1 1 108 108 GLY H H 1 7.4715 0.04 . 1 . . . . 355 GLY HN . 17384 1 459 . 1 1 108 108 GLY C C 13 176.4290 0.05 . 1 . . . . 355 GLY C . 17384 1 460 . 1 1 108 108 GLY CA C 13 46.3027 0.05 . 1 . . . . 355 GLY CA . 17384 1 461 . 1 1 108 108 GLY N N 15 107.3798 0.05 . 1 . . . . 355 GLY N . 17384 1 462 . 1 1 109 109 LYS H H 1 7.4479 0.04 . 1 . . . . 356 LYS HN . 17384 1 463 . 1 1 109 109 LYS C C 13 177.5188 0.05 . 1 . . . . 356 LYS C . 17384 1 464 . 1 1 109 109 LYS CA C 13 58.1575 0.05 . 1 . . . . 356 LYS CA . 17384 1 465 . 1 1 109 109 LYS CB C 13 30.9944 0.05 . 1 . . . . 356 LYS CB . 17384 1 466 . 1 1 109 109 LYS N N 15 118.1725 0.05 . 1 . . . . 356 LYS N . 17384 1 467 . 1 1 110 110 TYR H H 1 7.3129 0.04 . 1 . . . . 357 TYR HN . 17384 1 468 . 1 1 110 110 TYR C C 13 176.3038 0.05 . 1 . . . . 357 TYR C . 17384 1 469 . 1 1 110 110 TYR CA C 13 57.6056 0.05 . 1 . . . . 357 TYR CA . 17384 1 470 . 1 1 110 110 TYR CB C 13 37.7405 0.05 . 1 . . . . 357 TYR CB . 17384 1 471 . 1 1 110 110 TYR N N 15 116.1487 0.05 . 1 . . . . 357 TYR N . 17384 1 472 . 1 1 111 111 LEU H H 1 7.2392 0.04 . 1 . . . . 358 LEU HN . 17384 1 473 . 1 1 111 111 LEU C C 13 176.8987 0.05 . 1 . . . . 358 LEU C . 17384 1 474 . 1 1 111 111 LEU CA C 13 55.2365 0.05 . 1 . . . . 358 LEU CA . 17384 1 475 . 1 1 111 111 LEU CB C 13 42.0203 0.05 . 1 . . . . 358 LEU CB . 17384 1 476 . 1 1 111 111 LEU N N 15 119.2461 0.05 . 1 . . . . 358 LEU N . 17384 1 477 . 1 1 112 112 ARG H H 1 8.6233 0.04 . 1 . . . . 359 ARG HN . 17384 1 478 . 1 1 112 112 ARG C C 13 176.6217 0.05 . 1 . . . . 359 ARG C . 17384 1 479 . 1 1 112 112 ARG CA C 13 52.7106 0.05 . 1 . . . . 359 ARG CA . 17384 1 480 . 1 1 112 112 ARG CB C 13 32.1444 0.05 . 1 . . . . 359 ARG CB . 17384 1 481 . 1 1 112 112 ARG N N 15 121.3619 0.05 . 1 . . . . 359 ARG N . 17384 1 482 . 1 1 114 114 PRO C C 13 179.8037 0.05 . 1 . . . . 361 PRO C . 17384 1 483 . 1 1 114 114 PRO CA C 13 66.2726 0.05 . 1 . . . . 361 PRO CA . 17384 1 484 . 1 1 114 114 PRO CB C 13 29.5976 0.05 . 1 . . . . 361 PRO CB . 17384 1 485 . 1 1 115 115 GLN H H 1 7.2908 0.04 . 1 . . . . 362 GLN HN . 17384 1 486 . 1 1 115 115 GLN C C 13 177.9670 0.05 . 1 . . . . 362 GLN C . 17384 1 487 . 1 1 115 115 GLN CA C 13 59.3392 0.05 . 1 . . . . 362 GLN CA . 17384 1 488 . 1 1 115 115 GLN CB C 13 28.6861 0.05 . 1 . . . . 362 GLN CB . 17384 1 489 . 1 1 115 115 GLN N N 15 115.0338 0.05 . 1 . . . . 362 GLN N . 17384 1 490 . 1 1 116 116 LEU H H 1 7.8026 0.04 . 1 . . . . 363 LEU HN . 17384 1 491 . 1 1 116 116 LEU C C 13 179.1619 0.05 . 1 . . . . 363 LEU C . 17384 1 492 . 1 1 116 116 LEU CA C 13 57.5285 0.05 . 1 . . . . 363 LEU CA . 17384 1 493 . 1 1 116 116 LEU CB C 13 40.9157 0.05 . 1 . . . . 363 LEU CB . 17384 1 494 . 1 1 116 116 LEU N N 15 119.5224 0.05 . 1 . . . . 363 LEU N . 17384 1 495 . 1 1 117 117 VAL H H 1 8.9127 0.04 . 1 . . . . 364 VAL HN . 17384 1 496 . 1 1 117 117 VAL C C 13 176.9648 0.05 . 1 . . . . 364 VAL C . 17384 1 497 . 1 1 117 117 VAL CA C 13 66.4408 0.05 . 1 . . . . 364 VAL CA . 17384 1 498 . 1 1 117 117 VAL CB C 13 31.0486 0.05 . 1 . . . . 364 VAL CB . 17384 1 499 . 1 1 117 117 VAL N N 15 118.9165 0.05 . 1 . . . . 364 VAL N . 17384 1 500 . 1 1 118 118 ASP H H 1 7.6373 0.04 . 1 . . . . 365 ASP HN . 17384 1 501 . 1 1 118 118 ASP C C 13 179.0671 0.05 . 1 . . . . 365 ASP C . 17384 1 502 . 1 1 118 118 ASP CA C 13 57.5222 0.05 . 1 . . . . 365 ASP CA . 17384 1 503 . 1 1 118 118 ASP CB C 13 41.4790 0.05 . 1 . . . . 365 ASP CB . 17384 1 504 . 1 1 118 118 ASP N N 15 120.8754 0.05 . 1 . . . . 365 ASP N . 17384 1 505 . 1 1 119 119 MET H H 1 8.2282 0.04 . 1 . . . . 366 MET HN . 17384 1 506 . 1 1 119 119 MET C C 13 173.8724 0.05 . 1 . . . . 366 MET C . 17384 1 507 . 1 1 119 119 MET CA C 13 60.2647 0.05 . 1 . . . . 366 MET CA . 17384 1 508 . 1 1 119 119 MET N N 15 118.3527 0.05 . 1 . . . . 366 MET N . 17384 1 509 . 1 1 120 120 ALA C C 13 178.9788 0.05 . 1 . . . . 367 ALA C . 17384 1 510 . 1 1 120 120 ALA CA C 13 55.2000 0.05 . 1 . . . . 367 ALA CA . 17384 1 511 . 1 1 120 120 ALA CB C 13 17.4656 0.05 . 1 . . . . 367 ALA CB . 17384 1 512 . 1 1 121 121 ALA H H 1 9.0879 0.04 . 1 . . . . 368 ALA HN . 17384 1 513 . 1 1 121 121 ALA C C 13 180.6003 0.05 . 1 . . . . 368 ALA C . 17384 1 514 . 1 1 121 121 ALA CA C 13 55.2018 0.05 . 1 . . . . 368 ALA CA . 17384 1 515 . 1 1 121 121 ALA CB C 13 16.8697 0.05 . 1 . . . . 368 ALA CB . 17384 1 516 . 1 1 121 121 ALA N N 15 121.8696 0.05 . 1 . . . . 368 ALA N . 17384 1 517 . 1 1 122 122 GLN H H 1 8.3346 0.04 . 1 . . . . 369 GLN HN . 17384 1 518 . 1 1 122 122 GLN C C 13 178.4550 0.05 . 1 . . . . 369 GLN C . 17384 1 519 . 1 1 122 122 GLN CA C 13 59.5534 0.05 . 1 . . . . 369 GLN CA . 17384 1 520 . 1 1 122 122 GLN CB C 13 30.7749 0.05 . 1 . . . . 369 GLN CB . 17384 1 521 . 1 1 122 122 GLN N N 15 120.0548 0.05 . 1 . . . . 369 GLN N . 17384 1 522 . 1 1 123 123 ILE C C 13 178.2113 0.05 . 1 . . . . 370 ILE C . 17384 1 523 . 1 1 123 123 ILE CA C 13 60.1396 0.05 . 1 . . . . 370 ILE CA . 17384 1 524 . 1 1 124 124 ALA H H 1 8.2048 0.04 . 1 . . . . 371 ALA HN . 17384 1 525 . 1 1 124 124 ALA C C 13 177.9920 0.05 . 1 . . . . 371 ALA C . 17384 1 526 . 1 1 124 124 ALA CA C 13 55.0730 0.05 . 1 . . . . 371 ALA CA . 17384 1 527 . 1 1 124 124 ALA CB C 13 15.3244 0.05 . 1 . . . . 371 ALA CB . 17384 1 528 . 1 1 124 124 ALA N N 15 119.8513 0.05 . 1 . . . . 371 ALA N . 17384 1 529 . 1 1 125 125 SER H H 1 8.0967 0.04 . 1 . . . . 372 SER HN . 17384 1 530 . 1 1 125 125 SER C C 13 178.4029 0.05 . 1 . . . . 372 SER C . 17384 1 531 . 1 1 125 125 SER CA C 13 60.2024 0.05 . 1 . . . . 372 SER CA . 17384 1 532 . 1 1 125 125 SER CB C 13 64.9855 0.05 . 1 . . . . 372 SER CB . 17384 1 533 . 1 1 125 125 SER N N 15 113.0896 0.05 . 1 . . . . 372 SER N . 17384 1 534 . 1 1 126 126 GLY H H 1 7.8644 0.04 . 1 . . . . 373 GLY HN . 17384 1 535 . 1 1 126 126 GLY C C 13 175.5542 0.05 . 1 . . . . 373 GLY C . 17384 1 536 . 1 1 126 126 GLY CA C 13 46.8420 0.05 . 1 . . . . 373 GLY CA . 17384 1 537 . 1 1 126 126 GLY N N 15 108.1804 0.05 . 1 . . . . 373 GLY N . 17384 1 538 . 1 1 127 127 MET H H 1 8.1559 0.04 . 1 . . . . 374 MET HN . 17384 1 539 . 1 1 127 127 MET C C 13 178.3125 0.05 . 1 . . . . 374 MET C . 17384 1 540 . 1 1 127 127 MET CA C 13 53.8173 0.05 . 1 . . . . 374 MET CA . 17384 1 541 . 1 1 127 127 MET CB C 13 35.50 0.05 . 1 . . . . 374 MET CB . 17384 1 542 . 1 1 127 127 MET N N 15 118.5260 0.05 . 1 . . . . 374 MET N . 17384 1 543 . 1 1 128 128 ALA H H 1 8.9651 0.04 . 1 . . . . 375 ALA HN . 17384 1 544 . 1 1 128 128 ALA C C 13 180.5167 0.05 . 1 . . . . 375 ALA C . 17384 1 545 . 1 1 128 128 ALA CA C 13 54.3414 0.05 . 1 . . . . 375 ALA CA . 17384 1 546 . 1 1 128 128 ALA CB C 13 16.0371 0.05 . 1 . . . . 375 ALA CB . 17384 1 547 . 1 1 128 128 ALA N N 15 124.8421 0.05 . 1 . . . . 375 ALA N . 17384 1 548 . 1 1 129 129 TYR H H 1 7.4298 0.04 . 1 . . . . 376 TYR HN . 17384 1 549 . 1 1 129 129 TYR C C 13 176.2944 0.05 . 1 . . . . 376 TYR C . 17384 1 550 . 1 1 129 129 TYR CA C 13 61.3414 0.05 . 1 . . . . 376 TYR CA . 17384 1 551 . 1 1 129 129 TYR CB C 13 36.5787 0.05 . 1 . . . . 376 TYR CB . 17384 1 552 . 1 1 129 129 TYR N N 15 122.8546 0.05 . 1 . . . . 376 TYR N . 17384 1 553 . 1 1 130 130 VAL H H 1 7.6219 0.04 . 1 . . . . 377 VAL HN . 17384 1 554 . 1 1 130 130 VAL C C 13 177.2553 0.05 . 1 . . . . 377 VAL C . 17384 1 555 . 1 1 130 130 VAL CA C 13 67.6895 0.05 . 1 . . . . 377 VAL CA . 17384 1 556 . 1 1 130 130 VAL CB C 13 30.3658 0.05 . 1 . . . . 377 VAL CB . 17384 1 557 . 1 1 130 130 VAL N N 15 121.0736 0.05 . 1 . . . . 377 VAL N . 17384 1 558 . 1 1 131 131 GLU H H 1 8.7997 0.04 . 1 . . . . 378 GLU HN . 17384 1 559 . 1 1 131 131 GLU C C 13 180.2561 0.05 . 1 . . . . 378 GLU C . 17384 1 560 . 1 1 131 131 GLU CA C 13 59.0531 0.05 . 1 . . . . 378 GLU CA . 17384 1 561 . 1 1 131 131 GLU CB C 13 31.0313 0.05 . 1 . . . . 378 GLU CB . 17384 1 562 . 1 1 131 131 GLU N N 15 118.9439 0.05 . 1 . . . . 378 GLU N . 17384 1 563 . 1 1 132 132 ARG H H 1 8.2441 0.04 . 1 . . . . 379 ARG HN . 17384 1 564 . 1 1 132 132 ARG C C 13 177.7465 0.05 . 1 . . . . 379 ARG C . 17384 1 565 . 1 1 132 132 ARG CA C 13 58.6229 0.05 . 1 . . . . 379 ARG CA . 17384 1 566 . 1 1 132 132 ARG CB C 13 28.8843 0.05 . 1 . . . . 379 ARG CB . 17384 1 567 . 1 1 132 132 ARG N N 15 121.9911 0.05 . 1 . . . . 379 ARG N . 17384 1 568 . 1 1 133 133 MET H H 1 7.7783 0.04 . 1 . . . . 380 MET HN . 17384 1 569 . 1 1 133 133 MET C C 13 175.4533 0.05 . 1 . . . . 380 MET C . 17384 1 570 . 1 1 133 133 MET CA C 13 53.3905 0.05 . 1 . . . . 380 MET CA . 17384 1 571 . 1 1 133 133 MET CB C 13 29.9936 0.05 . 1 . . . . 380 MET CB . 17384 1 572 . 1 1 133 133 MET N N 15 116.0887 0.05 . 1 . . . . 380 MET N . 17384 1 573 . 1 1 134 134 ASN H H 1 7.9937 0.04 . 1 . . . . 381 ASN HN . 17384 1 574 . 1 1 134 134 ASN C C 13 174.5150 0.05 . 1 . . . . 381 ASN C . 17384 1 575 . 1 1 134 134 ASN CA C 13 54.5230 0.05 . 1 . . . . 381 ASN CA . 17384 1 576 . 1 1 134 134 ASN CB C 13 36.1441 0.05 . 1 . . . . 381 ASN CB . 17384 1 577 . 1 1 134 134 ASN N N 15 113.1680 0.05 . 1 . . . . 381 ASN N . 17384 1 578 . 1 1 135 135 TYR H H 1 7.8077 0.04 . 1 . . . . 382 TYR HN . 17384 1 579 . 1 1 135 135 TYR C C 13 173.5464 0.05 . 1 . . . . 382 TYR C . 17384 1 580 . 1 1 135 135 TYR CA C 13 57.8716 0.05 . 1 . . . . 382 TYR CA . 17384 1 581 . 1 1 135 135 TYR CB C 13 42.3208 0.05 . 1 . . . . 382 TYR CB . 17384 1 582 . 1 1 135 135 TYR N N 15 116.6442 0.05 . 1 . . . . 382 TYR N . 17384 1 583 . 1 1 136 136 VAL H H 1 7.9698 0.04 . 1 . . . . 383 VAL HN . 17384 1 584 . 1 1 136 136 VAL C C 13 176.1524 0.05 . 1 . . . . 383 VAL C . 17384 1 585 . 1 1 136 136 VAL CA C 13 60.5287 0.05 . 1 . . . . 383 VAL CA . 17384 1 586 . 1 1 136 136 VAL CB C 13 34.0217 0.05 . 1 . . . . 383 VAL CB . 17384 1 587 . 1 1 136 136 VAL N N 15 117.0276 0.05 . 1 . . . . 383 VAL N . 17384 1 588 . 1 1 137 137 HIS C C 13 176.9191 0.05 . 1 . . . . 384 HIS C . 17384 1 589 . 1 1 137 137 HIS CA C 13 63.7068 0.05 . 1 . . . . 384 HIS CA . 17384 1 590 . 1 1 138 138 ARG H H 1 9.7216 0.04 . 1 . . . . 385 ARG HN . 17384 1 591 . 1 1 138 138 ARG C C 13 175.9694 0.05 . 1 . . . . 385 ARG C . 17384 1 592 . 1 1 138 138 ARG CA C 13 60.1754 0.05 . 1 . . . . 385 ARG CA . 17384 1 593 . 1 1 138 138 ARG CB C 13 29.3974 0.05 . 1 . . . . 385 ARG CB . 17384 1 594 . 1 1 138 138 ARG N N 15 111.7288 0.05 . 1 . . . . 385 ARG N . 17384 1 595 . 1 1 139 139 ASP H H 1 10.8505 0.04 . 1 . . . . 386 ASP HN . 17384 1 596 . 1 1 139 139 ASP C C 13 174.6372 0.05 . 1 . . . . 386 ASP C . 17384 1 597 . 1 1 139 139 ASP CA C 13 52.3105 0.05 . 1 . . . . 386 ASP CA . 17384 1 598 . 1 1 139 139 ASP CB C 13 40.2340 0.05 . 1 . . . . 386 ASP CB . 17384 1 599 . 1 1 139 139 ASP N N 15 127.4736 0.05 . 1 . . . . 386 ASP N . 17384 1 600 . 1 1 140 140 LEU H H 1 9.4678 0.04 . 1 . . . . 387 LEU HN . 17384 1 601 . 1 1 140 140 LEU C C 13 173.7737 0.05 . 1 . . . . 387 LEU C . 17384 1 602 . 1 1 140 140 LEU CA C 13 55.6620 0.05 . 1 . . . . 387 LEU CA . 17384 1 603 . 1 1 140 140 LEU CB C 13 40.5626 0.05 . 1 . . . . 387 LEU CB . 17384 1 604 . 1 1 140 140 LEU N N 15 125.1478 0.05 . 1 . . . . 387 LEU N . 17384 1 605 . 1 1 141 141 ARG H H 1 6.6837 0.04 . 1 . . . . 388 ARG HN . 17384 1 606 . 1 1 141 141 ARG C C 13 176.2336 0.05 . 1 . . . . 388 ARG C . 17384 1 607 . 1 1 141 141 ARG CA C 13 54.4009 0.05 . 1 . . . . 388 ARG CA . 17384 1 608 . 1 1 141 141 ARG CB C 13 28.6864 0.05 . 1 . . . . 388 ARG CB . 17384 1 609 . 1 1 141 141 ARG N N 15 116.2091 0.05 . 1 . . . . 388 ARG N . 17384 1 610 . 1 1 142 142 ALA H H 1 10.2763 0.04 . 1 . . . . 389 ALA HN . 17384 1 611 . 1 1 142 142 ALA C C 13 178.8053 0.05 . 1 . . . . 389 ALA C . 17384 1 612 . 1 1 142 142 ALA CA C 13 55.9407 0.05 . 1 . . . . 389 ALA CA . 17384 1 613 . 1 1 142 142 ALA CB C 13 15.1177 0.05 . 1 . . . . 389 ALA CB . 17384 1 614 . 1 1 142 142 ALA N N 15 126.8605 0.05 . 1 . . . . 389 ALA N . 17384 1 615 . 1 1 143 143 ALA H H 1 9.4118 0.04 . 1 . . . . 390 ALA HN . 17384 1 616 . 1 1 143 143 ALA N N 15 118.3868 0.05 . 1 . . . . 390 ALA N . 17384 1 617 . 1 1 144 144 ASN C C 13 176.9168 0.05 . 1 . . . . 391 ASN C . 17384 1 618 . 1 1 144 144 ASN CA C 13 58.4894 0.05 . 1 . . . . 391 ASN CA . 17384 1 619 . 1 1 145 145 ILE H H 1 7.3042 0.04 . 1 . . . . 392 ILE HN . 17384 1 620 . 1 1 145 145 ILE C C 13 175.3912 0.05 . 1 . . . . 392 ILE C . 17384 1 621 . 1 1 145 145 ILE CA C 13 56.4485 0.05 . 1 . . . . 392 ILE CA . 17384 1 622 . 1 1 145 145 ILE CB C 13 38.7732 0.05 . 1 . . . . 392 ILE CB . 17384 1 623 . 1 1 145 145 ILE N N 15 117.7344 0.05 . 1 . . . . 392 ILE N . 17384 1 624 . 1 1 146 146 LEU H H 1 8.8174 0.04 . 1 . . . . 393 LEU HN . 17384 1 625 . 1 1 146 146 LEU C C 13 174.7160 0.05 . 1 . . . . 393 LEU C . 17384 1 626 . 1 1 146 146 LEU CA C 13 52.0554 0.05 . 1 . . . . 393 LEU CA . 17384 1 627 . 1 1 146 146 LEU CB C 13 45.2237 0.05 . 1 . . . . 393 LEU CB . 17384 1 628 . 1 1 146 146 LEU N N 15 126.5729 0.05 . 1 . . . . 393 LEU N . 17384 1 629 . 1 1 147 147 VAL H H 1 8.5296 0.04 . 1 . . . . 394 VAL HN . 17384 1 630 . 1 1 147 147 VAL C C 13 175.1931 0.05 . 1 . . . . 394 VAL C . 17384 1 631 . 1 1 147 147 VAL CA C 13 59.7882 0.05 . 1 . . . . 394 VAL CA . 17384 1 632 . 1 1 147 147 VAL CB C 13 32.4820 0.05 . 1 . . . . 394 VAL CB . 17384 1 633 . 1 1 147 147 VAL N N 15 119.9585 0.05 . 1 . . . . 394 VAL N . 17384 1 634 . 1 1 148 148 GLY H H 1 8.9596 0.04 . 1 . . . . 395 GLY HN . 17384 1 635 . 1 1 148 148 GLY C C 13 173.5849 0.05 . 1 . . . . 395 GLY C . 17384 1 636 . 1 1 148 148 GLY CA C 13 42.8992 0.05 . 1 . . . . 395 GLY CA . 17384 1 637 . 1 1 148 148 GLY N N 15 114.7724 0.05 . 1 . . . . 395 GLY N . 17384 1 638 . 1 1 149 149 GLU H H 1 8.3376 0.04 . 1 . . . . 396 GLU HN . 17384 1 639 . 1 1 149 149 GLU C C 13 177.9909 0.05 . 1 . . . . 396 GLU C . 17384 1 640 . 1 1 149 149 GLU CA C 13 56.5290 0.05 . 1 . . . . 396 GLU CA . 17384 1 641 . 1 1 149 149 GLU CB C 13 29.2765 0.05 . 1 . . . . 396 GLU CB . 17384 1 642 . 1 1 149 149 GLU N N 15 119.1474 0.05 . 1 . . . . 396 GLU N . 17384 1 643 . 1 1 150 150 ASN C C 13 174.2094 0.05 . 1 . . . . 397 ASN C . 17384 1 644 . 1 1 150 150 ASN CA C 13 54.1293 0.05 . 1 . . . . 397 ASN CA . 17384 1 645 . 1 1 150 150 ASN CB C 13 36.6184 0.05 . 1 . . . . 397 ASN CB . 17384 1 646 . 1 1 151 151 LEU H H 1 8.3299 0.04 . 1 . . . . 398 LEU HN . 17384 1 647 . 1 1 151 151 LEU C C 13 175.5815 0.05 . 1 . . . . 398 LEU C . 17384 1 648 . 1 1 151 151 LEU CA C 13 55.5564 0.05 . 1 . . . . 398 LEU CA . 17384 1 649 . 1 1 151 151 LEU CB C 13 36.9772 0.05 . 1 . . . . 398 LEU CB . 17384 1 650 . 1 1 151 151 LEU N N 15 111.4222 0.05 . 1 . . . . 398 LEU N . 17384 1 651 . 1 1 152 152 VAL H H 1 6.7288 0.04 . 1 . . . . 399 VAL HN . 17384 1 652 . 1 1 152 152 VAL C C 13 175.4558 0.05 . 1 . . . . 399 VAL C . 17384 1 653 . 1 1 152 152 VAL CA C 13 62.1316 0.05 . 1 . . . . 399 VAL CA . 17384 1 654 . 1 1 152 152 VAL CB C 13 31.5213 0.05 . 1 . . . . 399 VAL CB . 17384 1 655 . 1 1 152 152 VAL N N 15 118.2947 0.05 . 1 . . . . 399 VAL N . 17384 1 656 . 1 1 153 153 CYS H H 1 8.1850 0.04 . 1 . . . . 400 CYS HN . 17384 1 657 . 1 1 153 153 CYS C C 13 172.9026 0.05 . 1 . . . . 400 CYS C . 17384 1 658 . 1 1 153 153 CYS CA C 13 57.1776 0.05 . 1 . . . . 400 CYS CA . 17384 1 659 . 1 1 153 153 CYS CB C 13 30.6455 0.05 . 1 . . . . 400 CYS CB . 17384 1 660 . 1 1 153 153 CYS N N 15 123.4016 0.05 . 1 . . . . 400 CYS N . 17384 1 661 . 1 1 154 154 LYS H H 1 8.6381 0.04 . 1 . . . . 401 LYS HN . 17384 1 662 . 1 1 154 154 LYS C C 13 175.2430 0.05 . 1 . . . . 401 LYS C . 17384 1 663 . 1 1 154 154 LYS CA C 13 53.4279 0.05 . 1 . . . . 401 LYS CA . 17384 1 664 . 1 1 154 154 LYS CB C 13 37.0155 0.05 . 1 . . . . 401 LYS CB . 17384 1 665 . 1 1 154 154 LYS N N 15 114.4962 0.05 . 1 . . . . 401 LYS N . 17384 1 666 . 1 1 155 155 VAL H H 1 8.9924 0.04 . 1 . . . . 402 VAL HN . 17384 1 667 . 1 1 155 155 VAL C C 13 173.2297 0.05 . 1 . . . . 402 VAL C . 17384 1 668 . 1 1 155 155 VAL CA C 13 63.9372 0.05 . 1 . . . . 402 VAL CA . 17384 1 669 . 1 1 155 155 VAL CB C 13 31.0342 0.05 . 1 . . . . 402 VAL CB . 17384 1 670 . 1 1 155 155 VAL N N 15 122.7268 0.05 . 1 . . . . 402 VAL N . 17384 1 671 . 1 1 156 156 ALA H H 1 8.2088 0.04 . 1 . . . . 403 ALA HN . 17384 1 672 . 1 1 156 156 ALA C C 13 175.3434 0.05 . 1 . . . . 403 ALA C . 17384 1 673 . 1 1 156 156 ALA CA C 13 49.7321 0.05 . 1 . . . . 403 ALA CA . 17384 1 674 . 1 1 156 156 ALA CB C 13 22.7441 0.05 . 1 . . . . 403 ALA CB . 17384 1 675 . 1 1 156 156 ALA N N 15 130.3445 0.05 . 1 . . . . 403 ALA N . 17384 1 676 . 1 1 157 157 ASP H H 1 7.0985 0.04 . 1 . . . . 404 ASP HN . 17384 1 677 . 1 1 157 157 ASP CA C 13 54.3187 0.05 . 1 . . . . 404 ASP CA . 17384 1 678 . 1 1 157 157 ASP CB C 13 40.5202 0.05 . 1 . . . . 404 ASP CB . 17384 1 679 . 1 1 157 157 ASP N N 15 115.3512 0.05 . 1 . . . . 404 ASP N . 17384 1 680 . 1 1 158 158 PHE C C 13 174.9776 0.05 . 1 . . . . 405 PHE C . 17384 1 681 . 1 1 158 158 PHE CA C 13 56.1300 0.05 . 1 . . . . 405 PHE CA . 17384 1 682 . 1 1 159 159 GLY H H 1 7.1986 0.04 . 1 . . . . 406 GLY HN . 17384 1 683 . 1 1 159 159 GLY C C 13 170.8617 0.05 . 1 . . . . 406 GLY C . 17384 1 684 . 1 1 159 159 GLY CA C 13 45.1644 0.05 . 1 . . . . 406 GLY CA . 17384 1 685 . 1 1 159 159 GLY N N 15 106.2774 0.05 . 1 . . . . 406 GLY N . 17384 1 686 . 1 1 160 160 LEU H H 1 8.4770 0.04 . 1 . . . . 407 LEU HN . 17384 1 687 . 1 1 160 160 LEU CA C 13 54.7706 0.05 . 1 . . . . 407 LEU CA . 17384 1 688 . 1 1 160 160 LEU N N 15 116.8522 0.05 . 1 . . . . 407 LEU N . 17384 1 689 . 1 1 182 182 THR C C 13 177.8897 0.05 . 1 . . . . 429 THR C . 17384 1 690 . 1 1 182 182 THR CA C 13 64.9106 0.05 . 1 . . . . 429 THR CA . 17384 1 691 . 1 1 183 183 ALA H H 1 8.9446 0.04 . 1 . . . . 430 ALA HN . 17384 1 692 . 1 1 183 183 ALA CA C 13 54.9694 0.05 . 1 . . . . 430 ALA CA . 17384 1 693 . 1 1 183 183 ALA CB C 13 15.6138 0.05 . 1 . . . . 430 ALA CB . 17384 1 694 . 1 1 183 183 ALA N N 15 120.9958 0.05 . 1 . . . . 430 ALA N . 17384 1 695 . 1 1 184 184 PRO C C 13 176.8714 0.05 . 1 . . . . 431 PRO C . 17384 1 696 . 1 1 184 184 PRO CA C 13 64.9880 0.05 . 1 . . . . 431 PRO CA . 17384 1 697 . 1 1 184 184 PRO CB C 13 30.1492 0.05 . 1 . . . . 431 PRO CB . 17384 1 698 . 1 1 185 185 GLU H H 1 9.0476 0.04 . 1 . . . . 432 GLU HN . 17384 1 699 . 1 1 185 185 GLU C C 13 177.7674 0.05 . 1 . . . . 432 GLU C . 17384 1 700 . 1 1 185 185 GLU CA C 13 58.3283 0.05 . 1 . . . . 432 GLU CA . 17384 1 701 . 1 1 185 185 GLU CB C 13 25.2587 0.05 . 1 . . . . 432 GLU CB . 17384 1 702 . 1 1 185 185 GLU N N 15 114.6616 0.05 . 1 . . . . 432 GLU N . 17384 1 703 . 1 1 186 186 ALA H H 1 6.6661 0.04 . 1 . . . . 433 ALA HN . 17384 1 704 . 1 1 186 186 ALA C C 13 177.1595 0.05 . 1 . . . . 433 ALA C . 17384 1 705 . 1 1 186 186 ALA CA C 13 53.7143 0.05 . 1 . . . . 433 ALA CA . 17384 1 706 . 1 1 186 186 ALA CB C 13 18.0452 0.05 . 1 . . . . 433 ALA CB . 17384 1 707 . 1 1 186 186 ALA N N 15 126.7857 0.05 . 1 . . . . 433 ALA N . 17384 1 708 . 1 1 187 187 ALA H H 1 7.4622 0.04 . 1 . . . . 434 ALA HN . 17384 1 709 . 1 1 187 187 ALA C C 13 178.8637 0.05 . 1 . . . . 434 ALA C . 17384 1 710 . 1 1 187 187 ALA CA C 13 53.9068 0.05 . 1 . . . . 434 ALA CA . 17384 1 711 . 1 1 187 187 ALA CB C 13 15.5425 0.05 . 1 . . . . 434 ALA CB . 17384 1 712 . 1 1 187 187 ALA N N 15 119.2201 0.05 . 1 . . . . 434 ALA N . 17384 1 713 . 1 1 188 188 LEU H H 1 8.2770 0.04 . 1 . . . . 435 LEU HN . 17384 1 714 . 1 1 188 188 LEU C C 13 178.7549 0.05 . 1 . . . . 435 LEU C . 17384 1 715 . 1 1 188 188 LEU CA C 13 55.9687 0.05 . 1 . . . . 435 LEU CA . 17384 1 716 . 1 1 188 188 LEU CB C 13 40.6015 0.05 . 1 . . . . 435 LEU CB . 17384 1 717 . 1 1 188 188 LEU N N 15 112.8526 0.05 . 1 . . . . 435 LEU N . 17384 1 718 . 1 1 189 189 TYR H H 1 6.2452 0.04 . 1 . . . . 436 TYR HN . 17384 1 719 . 1 1 189 189 TYR C C 13 176.5968 0.05 . 1 . . . . 436 TYR C . 17384 1 720 . 1 1 189 189 TYR CA C 13 55.5589 0.05 . 1 . . . . 436 TYR CA . 17384 1 721 . 1 1 189 189 TYR CB C 13 39.0866 0.05 . 1 . . . . 436 TYR CB . 17384 1 722 . 1 1 189 189 TYR N N 15 112.1413 0.05 . 1 . . . . 436 TYR N . 17384 1 723 . 1 1 190 190 GLY H H 1 7.4243 0.04 . 1 . . . . 437 GLY HN . 17384 1 724 . 1 1 190 190 GLY C C 13 174.4964 0.05 . 1 . . . . 437 GLY C . 17384 1 725 . 1 1 190 190 GLY CA C 13 45.9578 0.05 . 1 . . . . 437 GLY CA . 17384 1 726 . 1 1 190 190 GLY N N 15 108.8321 0.05 . 1 . . . . 437 GLY N . 17384 1 727 . 1 1 191 191 ARG H H 1 7.3781 0.04 . 1 . . . . 438 ARG HN . 17384 1 728 . 1 1 191 191 ARG C C 13 174.5113 0.05 . 1 . . . . 438 ARG C . 17384 1 729 . 1 1 191 191 ARG CA C 13 54.5088 0.05 . 1 . . . . 438 ARG CA . 17384 1 730 . 1 1 191 191 ARG CB C 13 27.9016 0.05 . 1 . . . . 438 ARG CB . 17384 1 731 . 1 1 191 191 ARG N N 15 122.4545 0.05 . 1 . . . . 438 ARG N . 17384 1 732 . 1 1 192 192 PHE H H 1 8.0897 0.04 . 1 . . . . 439 PHE HN . 17384 1 733 . 1 1 192 192 PHE C C 13 176.3850 0.05 . 1 . . . . 439 PHE C . 17384 1 734 . 1 1 192 192 PHE CA C 13 57.4038 0.05 . 1 . . . . 439 PHE CA . 17384 1 735 . 1 1 192 192 PHE CB C 13 39.0189 0.05 . 1 . . . . 439 PHE CB . 17384 1 736 . 1 1 192 192 PHE N N 15 125.8830 0.05 . 1 . . . . 439 PHE N . 17384 1 737 . 1 1 193 193 THR H H 1 9.7066 0.04 . 1 . . . . 440 THR HN . 17384 1 738 . 1 1 193 193 THR C C 13 175.4252 0.05 . 1 . . . . 440 THR C . 17384 1 739 . 1 1 193 193 THR CA C 13 60.3226 0.05 . 1 . . . . 440 THR CA . 17384 1 740 . 1 1 193 193 THR CB C 13 70.1169 0.05 . 1 . . . . 440 THR CB . 17384 1 741 . 1 1 193 193 THR N N 15 116.2324 0.05 . 1 . . . . 440 THR N . 17384 1 742 . 1 1 194 194 ILE H H 1 9.6840 0.04 . 1 . . . . 441 ILE HN . 17384 1 743 . 1 1 194 194 ILE C C 13 176.0357 0.05 . 1 . . . . 441 ILE C . 17384 1 744 . 1 1 194 194 ILE CA C 13 60.3847 0.05 . 1 . . . . 441 ILE CA . 17384 1 745 . 1 1 194 194 ILE CB C 13 37.7171 0.05 . 1 . . . . 441 ILE CB . 17384 1 746 . 1 1 194 194 ILE N N 15 123.3052 0.05 . 1 . . . . 441 ILE N . 17384 1 747 . 1 1 195 195 LYS C C 13 182.5342 0.05 . 1 . . . . 442 LYS C . 17384 1 748 . 1 1 195 195 LYS CA C 13 56.1343 0.05 . 1 . . . . 442 LYS CA . 17384 1 749 . 1 1 196 196 SER H H 1 8.5816 0.04 . 1 . . . . 443 SER HN . 17384 1 750 . 1 1 196 196 SER C C 13 178.9297 0.05 . 1 . . . . 443 SER C . 17384 1 751 . 1 1 196 196 SER CA C 13 61.6814 0.05 . 1 . . . . 443 SER CA . 17384 1 752 . 1 1 196 196 SER N N 15 120.5104 0.05 . 1 . . . . 443 SER N . 17384 1 753 . 1 1 197 197 ASP H H 1 7.9952 0.04 . 1 . . . . 444 ASP HN . 17384 1 754 . 1 1 197 197 ASP C C 13 179.1189 0.05 . 1 . . . . 444 ASP C . 17384 1 755 . 1 1 197 197 ASP CA C 13 58.3033 0.05 . 1 . . . . 444 ASP CA . 17384 1 756 . 1 1 197 197 ASP CB C 13 39.2960 0.05 . 1 . . . . 444 ASP CB . 17384 1 757 . 1 1 197 197 ASP N N 15 127.1599 0.05 . 1 . . . . 444 ASP N . 17384 1 758 . 1 1 198 198 VAL H H 1 8.1888 0.04 . 1 . . . . 445 VAL HN . 17384 1 759 . 1 1 198 198 VAL C C 13 177.9546 0.05 . 1 . . . . 445 VAL C . 17384 1 760 . 1 1 198 198 VAL CA C 13 67.2624 0.05 . 1 . . . . 445 VAL CA . 17384 1 761 . 1 1 198 198 VAL CB C 13 30.1901 0.05 . 1 . . . . 445 VAL CB . 17384 1 762 . 1 1 198 198 VAL N N 15 123.0220 0.05 . 1 . . . . 445 VAL N . 17384 1 763 . 1 1 199 199 TRP H H 1 7.3698 0.04 . 1 . . . . 446 TRP HN . 17384 1 764 . 1 1 199 199 TRP C C 13 179.6983 0.05 . 1 . . . . 446 TRP C . 17384 1 765 . 1 1 199 199 TRP CA C 13 61.1017 0.05 . 1 . . . . 446 TRP CA . 17384 1 766 . 1 1 199 199 TRP CB C 13 27.3216 0.05 . 1 . . . . 446 TRP CB . 17384 1 767 . 1 1 199 199 TRP N N 15 120.9310 0.05 . 1 . . . . 446 TRP N . 17384 1 768 . 1 1 200 200 SER H H 1 8.7060 0.04 . 1 . . . . 447 SER HN . 17384 1 769 . 1 1 200 200 SER C C 13 176.7061 0.05 . 1 . . . . 447 SER C . 17384 1 770 . 1 1 200 200 SER CA C 13 62.2148 0.05 . 1 . . . . 447 SER CA . 17384 1 771 . 1 1 200 200 SER CB C 13 63.4028 0.05 . 1 . . . . 447 SER CB . 17384 1 772 . 1 1 200 200 SER N N 15 116.2745 0.05 . 1 . . . . 447 SER N . 17384 1 773 . 1 1 201 201 PHE H H 1 9.4451 0.04 . 1 . . . . 448 PHE HN . 17384 1 774 . 1 1 201 201 PHE C C 13 176.9212 0.05 . 1 . . . . 448 PHE C . 17384 1 775 . 1 1 201 201 PHE CA C 13 61.3359 0.05 . 1 . . . . 448 PHE CA . 17384 1 776 . 1 1 201 201 PHE CB C 13 38.5929 0.05 . 1 . . . . 448 PHE CB . 17384 1 777 . 1 1 201 201 PHE N N 15 123.7188 0.05 . 1 . . . . 448 PHE N . 17384 1 778 . 1 1 202 202 GLY H H 1 8.5162 0.04 . 1 . . . . 449 GLY HN . 17384 1 779 . 1 1 202 202 GLY C C 13 175.8711 0.05 . 1 . . . . 449 GLY C . 17384 1 780 . 1 1 202 202 GLY CA C 13 47.2032 0.05 . 1 . . . . 449 GLY CA . 17384 1 781 . 1 1 202 202 GLY N N 15 107.0965 0.05 . 1 . . . . 449 GLY N . 17384 1 782 . 1 1 203 203 ILE H H 1 8.0675 0.04 . 1 . . . . 450 ILE HN . 17384 1 783 . 1 1 203 203 ILE C C 13 180.4829 0.05 . 1 . . . . 450 ILE C . 17384 1 784 . 1 1 203 203 ILE CA C 13 62.5939 0.05 . 1 . . . . 450 ILE CA . 17384 1 785 . 1 1 203 203 ILE CB C 13 33.5598 0.05 . 1 . . . . 450 ILE CB . 17384 1 786 . 1 1 203 203 ILE N N 15 119.2581 0.05 . 1 . . . . 450 ILE N . 17384 1 787 . 1 1 204 204 LEU H H 1 9.5918 0.04 . 1 . . . . 451 LEU HN . 17384 1 788 . 1 1 204 204 LEU C C 13 179.8152 0.05 . 1 . . . . 451 LEU C . 17384 1 789 . 1 1 204 204 LEU CA C 13 58.6943 0.05 . 1 . . . . 451 LEU CA . 17384 1 790 . 1 1 204 204 LEU CB C 13 41.1097 0.05 . 1 . . . . 451 LEU CB . 17384 1 791 . 1 1 204 204 LEU N N 15 129.3325 0.05 . 1 . . . . 451 LEU N . 17384 1 792 . 1 1 205 205 LEU H H 1 8.5454 0.04 . 1 . . . . 452 LEU HN . 17384 1 793 . 1 1 205 205 LEU C C 13 180.6548 0.05 . 1 . . . . 452 LEU C . 17384 1 794 . 1 1 205 205 LEU CA C 13 58.1959 0.05 . 1 . . . . 452 LEU CA . 17384 1 795 . 1 1 205 205 LEU CB C 13 41.3110 0.05 . 1 . . . . 452 LEU CB . 17384 1 796 . 1 1 205 205 LEU N N 15 119.2775 0.05 . 1 . . . . 452 LEU N . 17384 1 797 . 1 1 206 206 THR H H 1 8.0003 0.04 . 1 . . . . 453 THR HN . 17384 1 798 . 1 1 206 206 THR C C 13 176.2844 0.05 . 1 . . . . 453 THR C . 17384 1 799 . 1 1 206 206 THR CA C 13 65.7133 0.05 . 1 . . . . 453 THR CA . 17384 1 800 . 1 1 206 206 THR CB C 13 68.1864 0.05 . 1 . . . . 453 THR CB . 17384 1 801 . 1 1 206 206 THR N N 15 114.0902 0.05 . 1 . . . . 453 THR N . 17384 1 802 . 1 1 207 207 GLU H H 1 7.8335 0.04 . 1 . . . . 454 GLU HN . 17384 1 803 . 1 1 207 207 GLU C C 13 178.7362 0.05 . 1 . . . . 454 GLU C . 17384 1 804 . 1 1 207 207 GLU CA C 13 60.5962 0.05 . 1 . . . . 454 GLU CA . 17384 1 805 . 1 1 207 207 GLU CB C 13 30.0619 0.05 . 1 . . . . 454 GLU CB . 17384 1 806 . 1 1 207 207 GLU N N 15 124.8473 0.05 . 1 . . . . 454 GLU N . 17384 1 807 . 1 1 208 208 LEU H H 1 8.3900 0.04 . 1 . . . . 455 LEU HN . 17384 1 808 . 1 1 208 208 LEU C C 13 177.9706 0.05 . 1 . . . . 455 LEU C . 17384 1 809 . 1 1 208 208 LEU CA C 13 58.1210 0.05 . 1 . . . . 455 LEU CA . 17384 1 810 . 1 1 208 208 LEU CB C 13 42.0947 0.05 . 1 . . . . 455 LEU CB . 17384 1 811 . 1 1 208 208 LEU N N 15 116.4300 0.05 . 1 . . . . 455 LEU N . 17384 1 812 . 1 1 209 209 THR H H 1 7.6623 0.04 . 1 . . . . 456 THR HN . 17384 1 813 . 1 1 209 209 THR C C 13 175.5431 0.05 . 1 . . . . 456 THR C . 17384 1 814 . 1 1 209 209 THR CA C 13 64.0946 0.05 . 1 . . . . 456 THR CA . 17384 1 815 . 1 1 209 209 THR CB C 13 69.7173 0.05 . 1 . . . . 456 THR CB . 17384 1 816 . 1 1 209 209 THR N N 15 103.7170 0.05 . 1 . . . . 456 THR N . 17384 1 817 . 1 1 210 210 THR H H 1 7.5235 0.04 . 1 . . . . 457 THR HN . 17384 1 818 . 1 1 210 210 THR C C 13 174.2416 0.05 . 1 . . . . 457 THR C . 17384 1 819 . 1 1 210 210 THR CA C 13 61.3130 0.05 . 1 . . . . 457 THR CA . 17384 1 820 . 1 1 210 210 THR CB C 13 69.1330 0.05 . 1 . . . . 457 THR CB . 17384 1 821 . 1 1 210 210 THR N N 15 109.3094 0.05 . 1 . . . . 457 THR N . 17384 1 822 . 1 1 211 211 LYS H H 1 7.9520 0.04 . 1 . . . . 458 LYS HN . 17384 1 823 . 1 1 211 211 LYS C C 13 175.1994 0.05 . 1 . . . . 458 LYS C . 17384 1 824 . 1 1 211 211 LYS CA C 13 57.9819 0.05 . 1 . . . . 458 LYS CA . 17384 1 825 . 1 1 211 211 LYS CB C 13 28.0285 0.05 . 1 . . . . 458 LYS CB . 17384 1 826 . 1 1 211 211 LYS N N 15 118.2461 0.05 . 1 . . . . 458 LYS N . 17384 1 827 . 1 1 212 212 GLY H H 1 9.3394 0.04 . 1 . . . . 459 GLY HN . 17384 1 828 . 1 1 212 212 GLY C C 13 173.6751 0.05 . 1 . . . . 459 GLY C . 17384 1 829 . 1 1 212 212 GLY CA C 13 44.8629 0.05 . 1 . . . . 459 GLY CA . 17384 1 830 . 1 1 212 212 GLY N N 15 103.1731 0.05 . 1 . . . . 459 GLY N . 17384 1 831 . 1 1 213 213 ARG H H 1 7.5178 0.04 . 1 . . . . 460 ARG HN . 17384 1 832 . 1 1 213 213 ARG C C 13 176.4899 0.05 . 1 . . . . 460 ARG C . 17384 1 833 . 1 1 213 213 ARG CA C 13 56.0947 0.05 . 1 . . . . 460 ARG CA . 17384 1 834 . 1 1 213 213 ARG CB C 13 28.7040 0.05 . 1 . . . . 460 ARG CB . 17384 1 835 . 1 1 213 213 ARG N N 15 122.4825 0.05 . 1 . . . . 460 ARG N . 17384 1 836 . 1 1 214 214 VAL H H 1 8.2055 0.04 . 1 . . . . 461 VAL HN . 17384 1 837 . 1 1 214 214 VAL C C 13 174.0667 0.05 . 1 . . . . 461 VAL C . 17384 1 838 . 1 1 214 214 VAL CA C 13 59.9078 0.05 . 1 . . . . 461 VAL CA . 17384 1 839 . 1 1 214 214 VAL CB C 13 31.5791 0.05 . 1 . . . . 461 VAL CB . 17384 1 840 . 1 1 214 214 VAL N N 15 127.3042 0.05 . 1 . . . . 461 VAL N . 17384 1 841 . 1 1 215 215 PRO CA C 13 61.7938 0.05 . 1 . . . . 462 PRO CA . 17384 1 842 . 1 1 215 215 PRO CB C 13 31.8431 0.05 . 1 . . . . 462 PRO CB . 17384 1 843 . 1 1 216 216 TYR H H 1 7.4900 0.04 . 1 . . . . 463 TYR HN . 17384 1 844 . 1 1 216 216 TYR CA C 13 57.0553 0.05 . 1 . . . . 463 TYR CA . 17384 1 845 . 1 1 216 216 TYR CB C 13 36.3620 0.05 . 1 . . . . 463 TYR CB . 17384 1 846 . 1 1 216 216 TYR N N 15 114.5920 0.05 . 1 . . . . 463 TYR N . 17384 1 847 . 1 1 217 217 PRO C C 13 178.8207 0.05 . 1 . . . . 464 PRO C . 17384 1 848 . 1 1 217 217 PRO CA C 13 63.7250 0.05 . 1 . . . . 464 PRO CA . 17384 1 849 . 1 1 217 217 PRO CB C 13 30.2510 0.05 . 1 . . . . 464 PRO CB . 17384 1 850 . 1 1 218 218 GLY H H 1 8.8623 0.04 . 1 . . . . 465 GLY HN . 17384 1 851 . 1 1 218 218 GLY C C 13 173.8309 0.05 . 1 . . . . 465 GLY C . 17384 1 852 . 1 1 218 218 GLY CA C 13 44.7177 0.05 . 1 . . . . 465 GLY CA . 17384 1 853 . 1 1 218 218 GLY N N 15 111.4944 0.05 . 1 . . . . 465 GLY N . 17384 1 854 . 1 1 219 219 MET H H 1 7.9680 0.04 . 1 . . . . 466 MET HN . 17384 1 855 . 1 1 219 219 MET C C 13 176.6765 0.05 . 1 . . . . 466 MET C . 17384 1 856 . 1 1 219 219 MET CA C 13 54.6040 0.05 . 1 . . . . 466 MET CA . 17384 1 857 . 1 1 219 219 MET CB C 13 34.5268 0.05 . 1 . . . . 466 MET CB . 17384 1 858 . 1 1 219 219 MET N N 15 119.6600 0.05 . 1 . . . . 466 MET N . 17384 1 859 . 1 1 220 220 VAL H H 1 8.6167 0.04 . 1 . . . . 467 VAL HN . 17384 1 860 . 1 1 220 220 VAL C C 13 177.7425 0.05 . 1 . . . . 467 VAL C . 17384 1 861 . 1 1 220 220 VAL CA C 13 60.0155 0.05 . 1 . . . . 467 VAL CA . 17384 1 862 . 1 1 220 220 VAL CB C 13 31.6932 0.05 . 1 . . . . 467 VAL CB . 17384 1 863 . 1 1 220 220 VAL N N 15 118.2556 0.05 . 1 . . . . 467 VAL N . 17384 1 864 . 1 1 223 223 GLU C C 13 177.4036 0.05 . 1 . . . . 470 GLU C . 17384 1 865 . 1 1 223 223 GLU CA C 13 56.7006 0.05 . 1 . . . . 470 GLU CA . 17384 1 866 . 1 1 223 223 GLU CB C 13 30.8633 0.05 . 1 . . . . 470 GLU CB . 17384 1 867 . 1 1 224 224 VAL H H 1 7.3466 0.04 . 1 . . . . 471 VAL HN . 17384 1 868 . 1 1 224 224 VAL C C 13 176.8176 0.05 . 1 . . . . 471 VAL C . 17384 1 869 . 1 1 224 224 VAL CA C 13 66.1466 0.05 . 1 . . . . 471 VAL CA . 17384 1 870 . 1 1 224 224 VAL CB C 13 30.4890 0.05 . 1 . . . . 471 VAL CB . 17384 1 871 . 1 1 224 224 VAL N N 15 118.6450 0.05 . 1 . . . . 471 VAL N . 17384 1 872 . 1 1 225 225 LEU H H 1 7.9443 0.04 . 1 . . . . 472 LEU HN . 17384 1 873 . 1 1 225 225 LEU C C 13 178.6660 0.05 . 1 . . . . 472 LEU C . 17384 1 874 . 1 1 225 225 LEU CA C 13 57.7252 0.05 . 1 . . . . 472 LEU CA . 17384 1 875 . 1 1 225 225 LEU CB C 13 40.3416 0.05 . 1 . . . . 472 LEU CB . 17384 1 876 . 1 1 225 225 LEU N N 15 117.8731 0.05 . 1 . . . . 472 LEU N . 17384 1 877 . 1 1 226 226 ASP H H 1 7.8922 0.04 . 1 . . . . 473 ASP HN . 17384 1 878 . 1 1 226 226 ASP C C 13 178.8011 0.05 . 1 . . . . 473 ASP C . 17384 1 879 . 1 1 226 226 ASP CA C 13 57.1141 0.05 . 1 . . . . 473 ASP CA . 17384 1 880 . 1 1 226 226 ASP CB C 13 40.6414 0.05 . 1 . . . . 473 ASP CB . 17384 1 881 . 1 1 226 226 ASP N N 15 117.7134 0.05 . 1 . . . . 473 ASP N . 17384 1 882 . 1 1 227 227 GLN H H 1 7.8951 0.04 . 1 . . . . 474 GLN HN . 17384 1 883 . 1 1 227 227 GLN C C 13 179.6737 0.05 . 1 . . . . 474 GLN C . 17384 1 884 . 1 1 227 227 GLN CA C 13 58.7691 0.05 . 1 . . . . 474 GLN CA . 17384 1 885 . 1 1 227 227 GLN CB C 13 25.7805 0.05 . 1 . . . . 474 GLN CB . 17384 1 886 . 1 1 227 227 GLN N N 15 116.1665 0.05 . 1 . . . . 474 GLN N . 17384 1 887 . 1 1 228 228 VAL H H 1 9.0577 0.04 . 1 . . . . 475 VAL HN . 17384 1 888 . 1 1 228 228 VAL C C 13 181.7109 0.05 . 1 . . . . 475 VAL C . 17384 1 889 . 1 1 228 228 VAL CA C 13 65.1309 0.05 . 1 . . . . 475 VAL CA . 17384 1 890 . 1 1 228 228 VAL CB C 13 31.0048 0.05 . 1 . . . . 475 VAL CB . 17384 1 891 . 1 1 228 228 VAL N N 15 120.6515 0.05 . 1 . . . . 475 VAL N . 17384 1 892 . 1 1 229 229 GLU H H 1 8.5119 0.04 . 1 . . . . 476 GLU HN . 17384 1 893 . 1 1 229 229 GLU C C 13 177.7991 0.05 . 1 . . . . 476 GLU C . 17384 1 894 . 1 1 229 229 GLU CA C 13 59.3574 0.05 . 1 . . . . 476 GLU CA . 17384 1 895 . 1 1 229 229 GLU CB C 13 28.8388 0.05 . 1 . . . . 476 GLU CB . 17384 1 896 . 1 1 229 229 GLU N N 15 124.1612 0.05 . 1 . . . . 476 GLU N . 17384 1 897 . 1 1 230 230 ARG H H 1 7.2898 0.04 . 1 . . . . 477 ARG HN . 17384 1 898 . 1 1 230 230 ARG C C 13 176.6493 0.05 . 1 . . . . 477 ARG C . 17384 1 899 . 1 1 230 230 ARG CA C 13 56.3034 0.05 . 1 . . . . 477 ARG CA . 17384 1 900 . 1 1 230 230 ARG CB C 13 29.5594 0.05 . 1 . . . . 477 ARG CB . 17384 1 901 . 1 1 230 230 ARG N N 15 116.3763 0.05 . 1 . . . . 477 ARG N . 17384 1 902 . 1 1 231 231 GLY H H 1 7.7531 0.04 . 1 . . . . 478 GLY HN . 17384 1 903 . 1 1 231 231 GLY C C 13 174.2144 0.05 . 1 . . . . 478 GLY C . 17384 1 904 . 1 1 231 231 GLY CA C 13 44.4501 0.05 . 1 . . . . 478 GLY CA . 17384 1 905 . 1 1 231 231 GLY N N 15 106.0240 0.05 . 1 . . . . 478 GLY N . 17384 1 906 . 1 1 232 232 TYR H H 1 8.3578 0.04 . 1 . . . . 479 TYR HN . 17384 1 907 . 1 1 232 232 TYR C C 13 175.7501 0.05 . 1 . . . . 479 TYR C . 17384 1 908 . 1 1 232 232 TYR CA C 13 60.2824 0.05 . 1 . . . . 479 TYR CA . 17384 1 909 . 1 1 232 232 TYR CB C 13 38.5937 0.05 . 1 . . . . 479 TYR CB . 17384 1 910 . 1 1 232 232 TYR N N 15 124.0362 0.05 . 1 . . . . 479 TYR N . 17384 1 911 . 1 1 233 233 ARG H H 1 6.9374 0.04 . 1 . . . . 480 ARG HN . 17384 1 912 . 1 1 233 233 ARG C C 13 174.2008 0.05 . 1 . . . . 480 ARG C . 17384 1 913 . 1 1 233 233 ARG CA C 13 51.6809 0.05 . 1 . . . . 480 ARG CA . 17384 1 914 . 1 1 233 233 ARG CB C 13 32.2071 0.05 . 1 . . . . 480 ARG CB . 17384 1 915 . 1 1 233 233 ARG N N 15 125.9731 0.05 . 1 . . . . 480 ARG N . 17384 1 916 . 1 1 234 234 MET H H 1 7.7542 0.04 . 1 . . . . 481 MET HN . 17384 1 917 . 1 1 234 234 MET C C 13 174.3522 0.05 . 1 . . . . 481 MET C . 17384 1 918 . 1 1 234 234 MET CA C 13 55.1774 0.05 . 1 . . . . 481 MET CA . 17384 1 919 . 1 1 234 234 MET CB C 13 32.9976 0.05 . 1 . . . . 481 MET CB . 17384 1 920 . 1 1 234 234 MET N N 15 119.5067 0.05 . 1 . . . . 481 MET N . 17384 1 921 . 1 1 235 235 PRO C C 13 174.5290 0.05 . 1 . . . . 482 PRO C . 17384 1 922 . 1 1 235 235 PRO CA C 13 61.0412 0.05 . 1 . . . . 482 PRO CA . 17384 1 923 . 1 1 235 235 PRO CB C 13 31.9592 0.05 . 1 . . . . 482 PRO CB . 17384 1 924 . 1 1 236 236 CYS H H 1 7.9184 0.04 . 1 . . . . 483 CYS HN . 17384 1 925 . 1 1 236 236 CYS C C 13 173.6730 0.05 . 1 . . . . 483 CYS C . 17384 1 926 . 1 1 236 236 CYS CA C 13 57.6239 0.05 . 1 . . . . 483 CYS CA . 17384 1 927 . 1 1 236 236 CYS CB C 13 26.2855 0.05 . 1 . . . . 483 CYS CB . 17384 1 928 . 1 1 236 236 CYS N N 15 121.3594 0.05 . 1 . . . . 483 CYS N . 17384 1 929 . 1 1 238 238 PRO C C 13 177.8149 0.05 . 1 . . . . 485 PRO C . 17384 1 930 . 1 1 238 238 PRO CA C 13 64.0880 0.05 . 1 . . . . 485 PRO CA . 17384 1 931 . 1 1 239 239 GLU H H 1 8.7054 0.04 . 1 . . . . 486 GLU HN . 17384 1 932 . 1 1 239 239 GLU C C 13 174.2888 0.05 . 1 . . . . 486 GLU C . 17384 1 933 . 1 1 239 239 GLU CA C 13 58.0260 0.05 . 1 . . . . 486 GLU CA . 17384 1 934 . 1 1 239 239 GLU CB C 13 27.7668 0.05 . 1 . . . . 486 GLU CB . 17384 1 935 . 1 1 239 239 GLU N N 15 115.4300 0.05 . 1 . . . . 486 GLU N . 17384 1 936 . 1 1 240 240 CYS H H 1 7.9252 0.04 . 1 . . . . 487 CYS HN . 17384 1 937 . 1 1 240 240 CYS C C 13 172.0165 0.05 . 1 . . . . 487 CYS C . 17384 1 938 . 1 1 240 240 CYS CA C 13 55.5393 0.05 . 1 . . . . 487 CYS CA . 17384 1 939 . 1 1 240 240 CYS CB C 13 28.7089 0.05 . 1 . . . . 487 CYS CB . 17384 1 940 . 1 1 240 240 CYS N N 15 122.4443 0.05 . 1 . . . . 487 CYS N . 17384 1 941 . 1 1 243 243 SER C C 13 177.6033 0.05 . 1 . . . . 490 SER C . 17384 1 942 . 1 1 243 243 SER CA C 13 60.3345 0.05 . 1 . . . . 490 SER CA . 17384 1 943 . 1 1 243 243 SER CB C 13 61.6512 0.05 . 1 . . . . 490 SER CB . 17384 1 944 . 1 1 244 244 LEU H H 1 7.5080 0.04 . 1 . . . . 491 LEU HN . 17384 1 945 . 1 1 244 244 LEU C C 13 178.2737 0.05 . 1 . . . . 491 LEU C . 17384 1 946 . 1 1 244 244 LEU CA C 13 56.0238 0.05 . 1 . . . . 491 LEU CA . 17384 1 947 . 1 1 244 244 LEU CB C 13 40.9089 0.05 . 1 . . . . 491 LEU CB . 17384 1 948 . 1 1 244 244 LEU N N 15 123.3946 0.05 . 1 . . . . 491 LEU N . 17384 1 949 . 1 1 245 245 HIS H H 1 7.5721 0.04 . 1 . . . . 492 HIS HN . 17384 1 950 . 1 1 245 245 HIS C C 13 177.9054 0.05 . 1 . . . . 492 HIS C . 17384 1 951 . 1 1 245 245 HIS CA C 13 59.2388 0.05 . 1 . . . . 492 HIS CA . 17384 1 952 . 1 1 245 245 HIS CB C 13 30.7640 0.05 . 1 . . . . 492 HIS CB . 17384 1 953 . 1 1 245 245 HIS N N 15 121.4764 0.05 . 1 . . . . 492 HIS N . 17384 1 954 . 1 1 246 246 ASP H H 1 9.0977 0.04 . 1 . . . . 493 ASP HN . 17384 1 955 . 1 1 246 246 ASP C C 13 178.3267 0.05 . 1 . . . . 493 ASP C . 17384 1 956 . 1 1 246 246 ASP CA C 13 57.2883 0.05 . 1 . . . . 493 ASP CA . 17384 1 957 . 1 1 246 246 ASP CB C 13 40.0391 0.05 . 1 . . . . 493 ASP CB . 17384 1 958 . 1 1 246 246 ASP N N 15 120.6762 0.05 . 1 . . . . 493 ASP N . 17384 1 959 . 1 1 247 247 LEU H H 1 6.7913 0.04 . 1 . . . . 494 LEU HN . 17384 1 960 . 1 1 247 247 LEU C C 13 179.3885 0.05 . 1 . . . . 494 LEU C . 17384 1 961 . 1 1 247 247 LEU CA C 13 57.4078 0.05 . 1 . . . . 494 LEU CA . 17384 1 962 . 1 1 247 247 LEU CB C 13 40.5912 0.05 . 1 . . . . 494 LEU CB . 17384 1 963 . 1 1 247 247 LEU N N 15 119.7549 0.05 . 1 . . . . 494 LEU N . 17384 1 964 . 1 1 248 248 MET H H 1 7.5414 0.04 . 1 . . . . 495 MET HN . 17384 1 965 . 1 1 248 248 MET C C 13 175.9336 0.05 . 1 . . . . 495 MET C . 17384 1 966 . 1 1 248 248 MET CA C 13 59.9629 0.05 . 1 . . . . 495 MET CA . 17384 1 967 . 1 1 248 248 MET CB C 13 29.9240 0.05 . 1 . . . . 495 MET CB . 17384 1 968 . 1 1 248 248 MET N N 15 118.7859 0.05 . 1 . . . . 495 MET N . 17384 1 969 . 1 1 249 249 CYS H H 1 7.6289 0.04 . 1 . . . . 496 CYS HN . 17384 1 970 . 1 1 249 249 CYS C C 13 178.3956 0.05 . 1 . . . . 496 CYS C . 17384 1 971 . 1 1 249 249 CYS CA C 13 63.1435 0.05 . 1 . . . . 496 CYS CA . 17384 1 972 . 1 1 249 249 CYS CB C 13 25.9381 0.05 . 1 . . . . 496 CYS CB . 17384 1 973 . 1 1 249 249 CYS N N 15 111.9622 0.05 . 1 . . . . 496 CYS N . 17384 1 974 . 1 1 250 250 GLN H H 1 7.5691 0.04 . 1 . . . . 497 GLN HN . 17384 1 975 . 1 1 250 250 GLN C C 13 178.3193 0.05 . 1 . . . . 497 GLN C . 17384 1 976 . 1 1 250 250 GLN CA C 13 58.7180 0.05 . 1 . . . . 497 GLN CA . 17384 1 977 . 1 1 250 250 GLN CB C 13 27.3311 0.05 . 1 . . . . 497 GLN CB . 17384 1 978 . 1 1 250 250 GLN N N 15 121.0932 0.05 . 1 . . . . 497 GLN N . 17384 1 979 . 1 1 251 251 CYS H H 1 7.0324 0.04 . 1 . . . . 498 CYS HN . 17384 1 980 . 1 1 251 251 CYS C C 13 173.6623 0.05 . 1 . . . . 498 CYS C . 17384 1 981 . 1 1 251 251 CYS CA C 13 62.5076 0.05 . 1 . . . . 498 CYS CA . 17384 1 982 . 1 1 251 251 CYS CB C 13 25.2179 0.05 . 1 . . . . 498 CYS CB . 17384 1 983 . 1 1 251 251 CYS N N 15 116.3796 0.05 . 1 . . . . 498 CYS N . 17384 1 984 . 1 1 252 252 TRP H H 1 6.5908 0.04 . 1 . . . . 499 TRP HN . 17384 1 985 . 1 1 252 252 TRP C C 13 176.0975 0.05 . 1 . . . . 499 TRP C . 17384 1 986 . 1 1 252 252 TRP CA C 13 51.9501 0.05 . 1 . . . . 499 TRP CA . 17384 1 987 . 1 1 252 252 TRP CB C 13 26.3623 0.05 . 1 . . . . 499 TRP CB . 17384 1 988 . 1 1 252 252 TRP N N 15 112.0849 0.05 . 1 . . . . 499 TRP N . 17384 1 989 . 1 1 253 253 ARG H H 1 6.8508 0.04 . 1 . . . . 500 ARG HN . 17384 1 990 . 1 1 253 253 ARG C C 13 177.6825 0.05 . 1 . . . . 500 ARG C . 17384 1 991 . 1 1 253 253 ARG CA C 13 56.1555 0.05 . 1 . . . . 500 ARG CA . 17384 1 992 . 1 1 253 253 ARG CB C 13 28.4363 0.05 . 1 . . . . 500 ARG CB . 17384 1 993 . 1 1 253 253 ARG N N 15 119.2901 0.05 . 1 . . . . 500 ARG N . 17384 1 994 . 1 1 254 254 LYS H H 1 8.8946 0.04 . 1 . . . . 501 LYS HN . 17384 1 995 . 1 1 254 254 LYS CA C 13 60.2488 0.05 . 1 . . . . 501 LYS CA . 17384 1 996 . 1 1 254 254 LYS N N 15 124.9193 0.05 . 1 . . . . 501 LYS N . 17384 1 997 . 1 1 256 256 PRO C C 13 178.5331 0.05 . 1 . . . . 503 PRO C . 17384 1 998 . 1 1 256 256 PRO CA C 13 64.5928 0.05 . 1 . . . . 503 PRO CA . 17384 1 999 . 1 1 256 256 PRO CB C 13 31.6686 0.05 . 1 . . . . 503 PRO CB . 17384 1 1000 . 1 1 257 257 GLU H H 1 8.3019 0.04 . 1 . . . . 504 GLU HN . 17384 1 1001 . 1 1 257 257 GLU C C 13 178.1030 0.05 . 1 . . . . 504 GLU C . 17384 1 1002 . 1 1 257 257 GLU CA C 13 57.4000 0.05 . 1 . . . . 504 GLU CA . 17384 1 1003 . 1 1 257 257 GLU CB C 13 28.2008 0.05 . 1 . . . . 504 GLU CB . 17384 1 1004 . 1 1 257 257 GLU N N 15 111.8037 0.05 . 1 . . . . 504 GLU N . 17384 1 1005 . 1 1 258 258 GLU H H 1 7.7906 0.04 . 1 . . . . 505 GLU HN . 17384 1 1006 . 1 1 258 258 GLU C C 13 176.9767 0.05 . 1 . . . . 505 GLU C . 17384 1 1007 . 1 1 258 258 GLU CA C 13 55.5807 0.05 . 1 . . . . 505 GLU CA . 17384 1 1008 . 1 1 258 258 GLU CB C 13 29.9095 0.05 . 1 . . . . 505 GLU CB . 17384 1 1009 . 1 1 258 258 GLU N N 15 116.0092 0.05 . 1 . . . . 505 GLU N . 17384 1 1010 . 1 1 259 259 ARG H H 1 7.3062 0.04 . 1 . . . . 506 ARG HN . 17384 1 1011 . 1 1 259 259 ARG C C 13 174.2937 0.05 . 1 . . . . 506 ARG C . 17384 1 1012 . 1 1 259 259 ARG CA C 13 58.9145 0.05 . 1 . . . . 506 ARG CA . 17384 1 1013 . 1 1 259 259 ARG CB C 13 28.9032 0.05 . 1 . . . . 506 ARG CB . 17384 1 1014 . 1 1 259 259 ARG N N 15 120.0509 0.05 . 1 . . . . 506 ARG N . 17384 1 1015 . 1 1 260 260 PRO C C 13 173.9376 0.05 . 1 . . . . 507 PRO C . 17384 1 1016 . 1 1 260 260 PRO CA C 13 61.5950 0.05 . 1 . . . . 507 PRO CA . 17384 1 1017 . 1 1 260 260 PRO CB C 13 32.0635 0.05 . 1 . . . . 507 PRO CB . 17384 1 1018 . 1 1 261 261 THR H H 1 7.3791 0.04 . 1 . . . . 508 THR HN . 17384 1 1019 . 1 1 261 261 THR C C 13 176.7880 0.05 . 1 . . . . 508 THR C . 17384 1 1020 . 1 1 261 261 THR CA C 13 59.0290 0.05 . 1 . . . . 508 THR CA . 17384 1 1021 . 1 1 261 261 THR CB C 13 70.0690 0.05 . 1 . . . . 508 THR CB . 17384 1 1022 . 1 1 261 261 THR N N 15 104.6901 0.05 . 1 . . . . 508 THR N . 17384 1 1023 . 1 1 262 262 PHE H H 1 10.9579 0.04 . 1 . . . . 509 PHE HN . 17384 1 1024 . 1 1 262 262 PHE C C 13 178.6146 0.05 . 1 . . . . 509 PHE C . 17384 1 1025 . 1 1 262 262 PHE CA C 13 63.5599 0.05 . 1 . . . . 509 PHE CA . 17384 1 1026 . 1 1 262 262 PHE CB C 13 36.2805 0.05 . 1 . . . . 509 PHE CB . 17384 1 1027 . 1 1 262 262 PHE N N 15 121.4528 0.05 . 1 . . . . 509 PHE N . 17384 1 1028 . 1 1 263 263 GLU H H 1 8.4441 0.04 . 1 . . . . 510 GLU HN . 17384 1 1029 . 1 1 263 263 GLU C C 13 178.7764 0.05 . 1 . . . . 510 GLU C . 17384 1 1030 . 1 1 263 263 GLU CA C 13 59.6243 0.05 . 1 . . . . 510 GLU CA . 17384 1 1031 . 1 1 263 263 GLU CB C 13 29.0835 0.05 . 1 . . . . 510 GLU CB . 17384 1 1032 . 1 1 263 263 GLU N N 15 120.5909 0.05 . 1 . . . . 510 GLU N . 17384 1 1033 . 1 1 264 264 TYR H H 1 8.1874 0.04 . 1 . . . . 511 TYR HN . 17384 1 1034 . 1 1 264 264 TYR C C 13 177.7073 0.05 . 1 . . . . 511 TYR C . 17384 1 1035 . 1 1 264 264 TYR CA C 13 61.0978 0.05 . 1 . . . . 511 TYR CA . 17384 1 1036 . 1 1 264 264 TYR CB C 13 37.1985 0.05 . 1 . . . . 511 TYR CB . 17384 1 1037 . 1 1 264 264 TYR N N 15 121.8419 0.05 . 1 . . . . 511 TYR N . 17384 1 1038 . 1 1 265 265 LEU H H 1 8.4626 0.04 . 1 . . . . 512 LEU HN . 17384 1 1039 . 1 1 265 265 LEU C C 13 177.9887 0.05 . 1 . . . . 512 LEU C . 17384 1 1040 . 1 1 265 265 LEU CA C 13 57.9500 0.05 . 1 . . . . 512 LEU CA . 17384 1 1041 . 1 1 265 265 LEU CB C 13 41.5478 0.05 . 1 . . . . 512 LEU CB . 17384 1 1042 . 1 1 265 265 LEU N N 15 120.8456 0.05 . 1 . . . . 512 LEU N . 17384 1 1043 . 1 1 266 266 GLN H H 1 8.8837 0.04 . 1 . . . . 513 GLN HN . 17384 1 1044 . 1 1 266 266 GLN C C 13 176.9823 0.05 . 1 . . . . 513 GLN C . 17384 1 1045 . 1 1 266 266 GLN CA C 13 59.9199 0.05 . 1 . . . . 513 GLN CA . 17384 1 1046 . 1 1 266 266 GLN CB C 13 26.2134 0.05 . 1 . . . . 513 GLN CB . 17384 1 1047 . 1 1 266 266 GLN N N 15 117.8275 0.05 . 1 . . . . 513 GLN N . 17384 1 1048 . 1 1 267 267 ALA H H 1 7.2984 0.04 . 1 . . . . 514 ALA HN . 17384 1 1049 . 1 1 267 267 ALA C C 13 179.6656 0.05 . 1 . . . . 514 ALA C . 17384 1 1050 . 1 1 267 267 ALA CA C 13 54.6494 0.05 . 1 . . . . 514 ALA CA . 17384 1 1051 . 1 1 267 267 ALA CB C 13 17.4154 0.05 . 1 . . . . 514 ALA CB . 17384 1 1052 . 1 1 267 267 ALA N N 15 120.5377 0.05 . 1 . . . . 514 ALA N . 17384 1 1053 . 1 1 268 268 PHE H H 1 8.6408 0.04 . 1 . . . . 515 PHE HN . 17384 1 1054 . 1 1 268 268 PHE C C 13 179.0085 0.05 . 1 . . . . 515 PHE C . 17384 1 1055 . 1 1 268 268 PHE CA C 13 60.4059 0.05 . 1 . . . . 515 PHE CA . 17384 1 1056 . 1 1 268 268 PHE CB C 13 38.6995 0.05 . 1 . . . . 515 PHE CB . 17384 1 1057 . 1 1 268 268 PHE N N 15 118.6942 0.05 . 1 . . . . 515 PHE N . 17384 1 1058 . 1 1 269 269 LEU H H 1 8.3100 0.04 . 1 . . . . 516 LEU HN . 17384 1 1059 . 1 1 269 269 LEU C C 13 179.1165 0.05 . 1 . . . . 516 LEU C . 17384 1 1060 . 1 1 269 269 LEU CA C 13 57.0763 0.05 . 1 . . . . 516 LEU CA . 17384 1 1061 . 1 1 269 269 LEU CB C 13 40.3705 0.05 . 1 . . . . 516 LEU CB . 17384 1 1062 . 1 1 269 269 LEU N N 15 118.0730 0.05 . 1 . . . . 516 LEU N . 17384 1 1063 . 1 1 270 270 GLU H H 1 8.6922 0.04 . 1 . . . . 517 GLU HN . 17384 1 1064 . 1 1 270 270 GLU C C 13 178.5984 0.05 . 1 . . . . 517 GLU C . 17384 1 1065 . 1 1 270 270 GLU CA C 13 59.3476 0.05 . 1 . . . . 517 GLU CA . 17384 1 1066 . 1 1 270 270 GLU CB C 13 28.8591 0.05 . 1 . . . . 517 GLU CB . 17384 1 1067 . 1 1 270 270 GLU N N 15 120.0069 0.05 . 1 . . . . 517 GLU N . 17384 1 1068 . 1 1 271 271 ASP H H 1 7.4500 0.04 . 1 . . . . 518 ASP HN . 17384 1 1069 . 1 1 271 271 ASP C C 13 177.2673 0.05 . 1 . . . . 518 ASP C . 17384 1 1070 . 1 1 271 271 ASP CA C 13 53.6142 0.05 . 1 . . . . 518 ASP CA . 17384 1 1071 . 1 1 271 271 ASP CB C 13 40.5368 0.05 . 1 . . . . 518 ASP CB . 17384 1 1072 . 1 1 271 271 ASP N N 15 116.5416 0.05 . 1 . . . . 518 ASP N . 17384 1 1073 . 1 1 272 272 TYR H H 1 7.1839 0.04 . 1 . . . . 519 TYR HN . 17384 1 1074 . 1 1 272 272 TYR C C 13 176.8941 0.05 . 1 . . . . 519 TYR C . 17384 1 1075 . 1 1 272 272 TYR CA C 13 62.6389 0.05 . 1 . . . . 519 TYR CA . 17384 1 1076 . 1 1 272 272 TYR CB C 13 39.5575 0.05 . 1 . . . . 519 TYR CB . 17384 1 1077 . 1 1 272 272 TYR N N 15 122.8922 0.05 . 1 . . . . 519 TYR N . 17384 1 1078 . 1 1 273 273 PHE H H 1 8.6949 0.04 . 1 . . . . 520 PHE HN . 17384 1 1079 . 1 1 273 273 PHE C C 13 174.5543 0.05 . 1 . . . . 520 PHE C . 17384 1 1080 . 1 1 273 273 PHE CA C 13 59.8727 0.05 . 1 . . . . 520 PHE CA . 17384 1 1081 . 1 1 273 273 PHE CB C 13 37.1480 0.05 . 1 . . . . 520 PHE CB . 17384 1 1082 . 1 1 273 273 PHE N N 15 114.5297 0.05 . 1 . . . . 520 PHE N . 17384 1 1083 . 1 1 274 274 THR H H 1 7.7197 0.04 . 1 . . . . 521 THR HN . 17384 1 1084 . 1 1 274 274 THR C C 13 175.5654 0.05 . 1 . . . . 521 THR C . 17384 1 1085 . 1 1 274 274 THR CA C 13 63.4785 0.05 . 1 . . . . 521 THR CA . 17384 1 1086 . 1 1 274 274 THR CB C 13 68.9143 0.05 . 1 . . . . 521 THR CB . 17384 1 1087 . 1 1 274 274 THR N N 15 112.9522 0.05 . 1 . . . . 521 THR N . 17384 1 1088 . 1 1 277 277 GLU H H 1 7.8200 0.04 . 1 . . . . 524 GLU HN . 17384 1 1089 . 1 1 277 277 GLU N N 15 118.8855 0.05 . 1 . . . . 524 GLU N . 17384 1 1090 . 1 1 278 278 PRO C C 13 177.7718 0.05 . 1 . . . . 525 PRO C . 17384 1 1091 . 1 1 278 278 PRO CA C 13 63.5530 0.05 . 1 . . . . 525 PRO CA . 17384 1 1092 . 1 1 278 278 PRO CB C 13 31.0797 0.05 . 1 . . . . 525 PRO CB . 17384 1 1093 . 1 1 279 279 GLN H H 1 8.4924 0.04 . 1 . . . . 526 GLN HN . 17384 1 1094 . 1 1 279 279 GLN C C 13 175.5635 0.05 . 1 . . . . 526 GLN C . 17384 1 1095 . 1 1 279 279 GLN CA C 13 54.5480 0.05 . 1 . . . . 526 GLN CA . 17384 1 1096 . 1 1 279 279 GLN CB C 13 27.7389 0.05 . 1 . . . . 526 GLN CB . 17384 1 1097 . 1 1 279 279 GLN N N 15 118.6378 0.05 . 1 . . . . 526 GLN N . 17384 1 1098 . 1 1 280 280 TYR H H 1 7.7152 0.04 . 1 . . . . 527 TYR HN . 17384 1 1099 . 1 1 280 280 TYR C C 13 174.9525 0.05 . 1 . . . . 527 TYR C . 17384 1 1100 . 1 1 280 280 TYR CA C 13 59.2128 0.05 . 1 . . . . 527 TYR CA . 17384 1 1101 . 1 1 280 280 TYR CB C 13 38.4225 0.05 . 1 . . . . 527 TYR CB . 17384 1 1102 . 1 1 280 280 TYR N N 15 122.0034 0.05 . 1 . . . . 527 TYR N . 17384 1 1103 . 1 1 281 281 GLN H H 1 7.7712 0.04 . 1 . . . . 528 GLN HN . 17384 1 1104 . 1 1 281 281 GLN C C 13 172.2479 0.05 . 1 . . . . 528 GLN C . 17384 1 1105 . 1 1 281 281 GLN CA C 13 51.7420 0.05 . 1 . . . . 528 GLN CA . 17384 1 1106 . 1 1 281 281 GLN CB C 13 29.8937 0.05 . 1 . . . . 528 GLN CB . 17384 1 1107 . 1 1 281 281 GLN N N 15 126.8674 0.05 . 1 . . . . 528 GLN N . 17384 1 1108 . 1 1 285 285 ASN C C 13 173.7175 0.05 . 1 . . . . 532 ASN C . 17384 1 1109 . 1 1 285 285 ASN CA C 13 53.7248 0.05 . 1 . . . . 532 ASN CA . 17384 1 1110 . 1 1 285 285 ASN CB C 13 40.3164 0.05 . 1 . . . . 532 ASN CB . 17384 1 1111 . 1 1 286 286 LEU H H 1 7.9104 0.04 . 1 . . . . 533 LEU HN . 17384 1 1112 . 1 1 286 286 LEU C C 13 181.5653 0.05 . 1 . . . . 533 LEU C . 17384 1 1113 . 1 1 286 286 LEU CA C 13 55.9624 0.05 . 1 . . . . 533 LEU CA . 17384 1 1114 . 1 1 286 286 LEU CB C 13 44.5054 0.05 . 1 . . . . 533 LEU CB . 17384 1 1115 . 1 1 286 286 LEU N N 15 125.3146 0.05 . 1 . . . . 533 LEU N . 17384 1 stop_ save_