data_17307 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17307 _Entry.Title ; NMR Structure of the monomeric mutant C-terminal domain of HIV-1 Capsid in complex with stapled peptide Inhibitor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-18 _Entry.Accession_date 2010-11-18 _Entry.Last_release_date 2010-12-16 _Entry.Original_release_date 2010-12-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shibani Bhattacharya . . . 17307 2 Hongtao Zhang . . . 17307 3 Asim Debnath . K. . 17307 4 David Cowburn . . . 17307 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 17307 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Protein/stapled peptide complex' . 17307 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17307 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 17307 '15N chemical shifts' 94 17307 '1H chemical shifts' 713 17307 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-12-16 2010-11-18 original author . 17307 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L6E 'BMRB Entry Tracking System' 17307 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17307 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18417468 _Citation.Full_citation . _Citation.Title 'Solution structure of a hydrocarbon stapled peptide inhibitor in complex with monomeric C-terminal domain of HIV-1 capsid.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 283 _Citation.Journal_issue 24 _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 16247 _Citation.Page_last 16278 _Citation.Year 2008 _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 Shibani Bhattacharya . . . 17307 1 2 Hongtao Zhang . . . 17307 1 3 Asim Debnath . K. . 17307 1 4 David Cowburn . . . 17307 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17307 _Assembly.ID 1 _Assembly.Name 'HIV-1 Capsid in complex with stapled peptide Inhibitor' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Capsid_protein_p24 1 $Capsid_protein_p24 A . yes native no no . . . 17307 1 2 NYAD-13_Peptide_Inhibitor 2 $NYAD-13_Peptide_Inhibitor B . yes native no no . . . 17307 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Capsid_protein_p24 _Entity.Sf_category entity _Entity.Sf_framecode Capsid_protein_p24 _Entity.Entry_ID 17307 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Capsid_protein_p24 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MTSILDIRQGPKEPFRDYVD RFYKTLRAEQASQEVKNAAT ETLLVQNANPDCKTILKALG PAATLEEMMTACQGVGGPGH KARVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15137 . "CAC monomer" . . . . . 80.00 87 98.81 98.81 6.27e-54 . . . . 17307 1 2 no BMRB 16555 . HIV-1_Capsid_Protein . . . . . 80.00 88 97.62 97.62 3.77e-53 . . . . 17307 1 3 no BMRB 17738 . HIV-1_CA . . . . . 80.00 240 98.81 98.81 4.78e-52 . . . . 17307 1 4 no BMRB 19264 . entity . . . . . 80.00 231 98.81 98.81 1.82e-52 . . . . 17307 1 5 no BMRB 25532 . Gag . . . . . 80.00 432 97.62 97.62 1.28e-49 . . . . 17307 1 6 no PDB 1E6J . "Crystal Structure Of Hiv-1 Capsid Protein (p24) In Complex With Fab13b5" . . . . . 69.52 210 97.26 97.26 3.66e-43 . . . . 17307 1 7 no PDB 1VU4 . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 8 no PDB 1VU5 . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 9 no PDB 1VU6 . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 10 no PDB 1VU7 . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 11 no PDB 1VU8 . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 12 no PDB 1VU9 . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 13 no PDB 1VUA . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 14 no PDB 1VUC . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 15 no PDB 1VUD . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 16 no PDB 1VUE . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 17 no PDB 1VUF . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 18 no PDB 1VUG . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 19 no PDB 1VUH . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 20 no PDB 1VUI . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 21 no PDB 1VUJ . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 22 no PDB 1VUK . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 23 no PDB 1VUL . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 24 no PDB 1VUM . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 25 no PDB 1VUN . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 26 no PDB 1VUO . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 27 no PDB 1VUP . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 28 no PDB 1VUQ . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 29 no PDB 1VUR . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 30 no PDB 1VUS . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 31 no PDB 1VUT . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 32 no PDB 1VUU . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 33 no PDB 1VUV . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 34 no PDB 1VUW . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 35 no PDB 1VUX . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 36 no PDB 1VUY . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 37 no PDB 1VUZ . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 38 no PDB 1VV0 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 39 no PDB 1VV1 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 40 no PDB 1VV2 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 41 no PDB 1VV3 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 42 no PDB 1VV4 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 43 no PDB 1VV5 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 44 no PDB 1VV6 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 45 no PDB 1VV7 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 46 no PDB 1VV8 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 47 no PDB 1VV9 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 48 no PDB 1VVA . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 49 no PDB 1VVB . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 50 no PDB 1VVF . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 51 no PDB 1VVG . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 52 no PDB 1VVH . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 53 no PDB 1VVI . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 54 no PDB 2JO0 . "The Solution Structure Of The Monomeric Species Of The C Terminal Domain Of The Ca Protein Of Hiv-1" . . . . . 80.00 87 98.81 98.81 6.27e-54 . . . . 17307 1 55 no PDB 2JYG . "Solution Structure Of The W184aM185A MUTANT OF THE CARBOXY- Terminal Dimerization Domain Of The Hiv-1 Capsid Protein" . . . . . 80.00 84 98.81 98.81 5.94e-54 . . . . 17307 1 56 no PDB 2JYL . "Solution Structure Of A Double Mutant Of The Carboxy- Terminal Dimerization Domain Of The Hiv-1 Capsid Protein" . . . . . 100.00 105 99.05 99.05 1.31e-70 . . . . 17307 1 57 no PDB 2KOD . "A High-Resolution Nmr Structure Of The Dimeric C-Terminal Domain Of Hiv-1 Ca" . . . . . 80.00 88 97.62 97.62 3.77e-53 . . . . 17307 1 58 no PDB 2L6E . "Nmr Structure Of The Monomeric Mutant C-Terminal Domain Of Hiv-1 Capsid In Complex With Stapled Peptide Inhibitor" . . . . . 100.00 105 100.00 100.00 2.28e-71 . . . . 17307 1 59 no PDB 2LF4 . "Structure Of A Monomeric Mutant Of The Hiv-1 Capsid Protein" . . . . . 80.00 240 98.81 98.81 4.78e-52 . . . . 17307 1 60 no PDB 2M8P . "The Structure Of The W184am185a Mutant Of The Hiv-1 Capsid Protein" . . . . . 70.48 221 98.65 98.65 1.86e-44 . . . . 17307 1 61 no PDB 3GV2 . "X-Ray Structure Of Hexameric Hiv-1 Ca" . . . . . 72.38 342 98.68 98.68 5.57e-43 . . . . 17307 1 62 no PDB 3H47 . "X-Ray Structure Of Hexameric Hiv-1 Ca" . . . . . 80.00 231 98.81 98.81 3.76e-52 . . . . 17307 1 63 no PDB 3H4E . "X-Ray Structure Of Hexameric Hiv-1 Ca" . . . . . 80.00 231 98.81 98.81 3.76e-52 . . . . 17307 1 64 no PDB 3J34 . "Structure Of Hiv-1 Capsid Protein By Cryo-em" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 65 no PDB 3J4F . "Structure Of Hiv-1 Capsid Protein By Cryo-em" . . . . . 80.00 231 97.62 97.62 9.41e-52 . . . . 17307 1 66 no PDB 3MGE . "X-Ray Structure Of Hexameric Hiv-1 Ca" . . . . . 80.00 231 98.81 98.81 4.05e-52 . . . . 17307 1 67 no PDB 3NTE . "Crystal Structure Of The Wild-type Full-length Hiv-1 Capsid Protein" . . . . . 70.48 221 97.30 97.30 8.42e-44 . . . . 17307 1 68 no PDB 3P05 . "X-Ray Structure Of Pentameric Hiv-1 Ca" . . . . . 80.00 231 98.81 98.81 3.96e-52 . . . . 17307 1 69 no PDB 3P0A . "X-Ray Structure Of Pentameric Hiv-1 Ca" . . . . . 80.00 231 98.81 98.81 3.56e-52 . . . . 17307 1 70 no PDB 4ARG . "Structure Of The Immature Retroviral Capsid At 8a Resolution By Cryo-Electron Microscopy" . . . . . 65.71 69 98.55 98.55 3.00e-42 . . . . 17307 1 71 no PDB 4QNB . "Disulfide Stabilized Hiv-1 Ca Hexamer In Complex With Phenyl-l- Phenylalaninamide Inhibitor" . . . . . 80.00 231 98.81 98.81 3.76e-52 . . . . 17307 1 72 no PDB 4U0A . "Hexameric Hiv-1 Ca In Complex With Cpsf6 Peptide, P6 Crystal Form" . . . . . 80.00 231 98.81 98.81 3.76e-52 . . . . 17307 1 73 no PDB 4U0B . "Hexamer Hiv-1 Ca In Complex With Cpsf6 Peptide, P212121 Crystal Form" . . . . . 80.00 231 98.81 98.81 3.76e-52 . . . . 17307 1 74 no PDB 4U0C . "Hexameric Hiv-1 Ca In Complex With Nup153 Peptide, P6 Crystal Form" . . . . . 80.00 231 98.81 98.81 3.76e-52 . . . . 17307 1 75 no PDB 4U0D . "Hexameric Hiv-1 Ca In Complex With Nup153 Peptide, P212121 Crystal Form" . . . . . 80.00 231 98.81 98.81 3.76e-52 . . . . 17307 1 76 no PDB 4U0E . "Hexameric Hiv-1 Ca In Complex With Pf3450074" . . . . . 80.00 231 98.81 98.81 3.76e-52 . . . . 17307 1 77 no PDB 4U0F . "Hexameric Hiv-1 Ca In Complex With Bi-2" . . . . . 80.00 231 98.81 98.81 3.76e-52 . . . . 17307 1 78 no PDB 4WYM . "Structural Basis Of Hiv-1 Capsid Recognition By Cpsf6" . . . . . 80.00 231 98.81 98.81 3.76e-52 . . . . 17307 1 79 no DBJ BAA00992 . "gag polyprotein [Human immunodeficiency virus 1]" . . . . . 80.00 500 97.62 97.62 4.63e-49 . . . . 17307 1 80 no DBJ BAA12988 . "Gag [Human immunodeficiency virus 1]" . . . . . 80.00 512 97.62 97.62 6.76e-49 . . . . 17307 1 81 no DBJ BAA12996 . "Gag [Human immunodeficiency virus 1]" . . . . . 80.00 512 97.62 97.62 6.49e-49 . . . . 17307 1 82 no DBJ BAA93785 . "gag protein [Human immunodeficiency virus 1]" . . . . . 80.00 231 97.62 97.62 9.01e-52 . . . . 17307 1 83 no DBJ BAA93786 . "gag protein [Human immunodeficiency virus 1]" . . . . . 80.00 231 97.62 97.62 1.03e-51 . . . . 17307 1 84 no EMBL CAA82791 . "gag [Human immunodeficiency virus 1]" . . . . . 77.14 146 97.53 97.53 3.92e-50 . . . . 17307 1 85 no EMBL CAA82793 . "gag [Human immunodeficiency virus 1]" . . . . . 77.14 146 97.53 97.53 3.92e-50 . . . . 17307 1 86 no EMBL CAB85858 . "P24 [Human immunodeficiency virus 1]" . . . . . 80.00 225 97.62 97.62 1.16e-51 . . . . 17307 1 87 no EMBL CAB85866 . "P24 [Human immunodeficiency virus 1]" . . . . . 80.00 221 97.62 97.62 6.64e-52 . . . . 17307 1 88 no EMBL CAB87157 . "p24 [Human immunodeficiency virus 1]" . . . . . 75.24 226 97.47 97.47 2.84e-48 . . . . 17307 1 89 no GB AAA44201 . "gag polyprotein precursor [Human immunodeficiency virus 1]" . . . . . 80.00 512 97.62 97.62 7.19e-49 . . . . 17307 1 90 no GB AAA44306 . "gag polyprotein [Human immunodeficiency virus 1]" . . . . . 79.05 500 97.59 97.59 2.56e-48 . . . . 17307 1 91 no GB AAA44652 . "gag polyprotein precursor [Human immunodeficiency virus 1]" . . . . . 80.00 512 97.62 97.62 6.69e-49 . . . . 17307 1 92 no GB AAA76686 . "gag [Human immunodeficiency virus 1]" . . . . . 80.00 500 97.62 97.62 6.00e-49 . . . . 17307 1 93 no GB AAB04036 . "gag [Human immunodeficiency virus 1]" . . . . . 80.00 500 97.62 97.62 5.46e-49 . . . . 17307 1 94 no PIR FOVWLV . "gag polyprotein - human immunodeficiency virus type 1 (isolate LAV-1a)" . . . . . 80.00 500 97.62 97.62 5.41e-49 . . . . 17307 1 95 no PRF 1102247B . "protein gag" . . . . . 80.00 512 97.62 97.62 7.19e-49 . . . . 17307 1 96 no PRF 1103299C . "gag gene" . . . . . 80.00 478 97.62 97.62 4.46e-49 . . . . 17307 1 97 no REF NP_057849 . "Gag-Pol [Human immunodeficiency virus 1]" . . . . . 80.00 1435 97.62 97.62 9.94e-47 . . . . 17307 1 98 no REF NP_057850 . "Pr55(Gag) [Human immunodeficiency virus 1]" . . . . . 80.00 500 97.62 97.62 5.87e-49 . . . . 17307 1 99 no REF NP_579880 . "capsid [Human immunodeficiency virus 1]" . . . . . 80.00 231 97.62 97.62 8.54e-52 . . . . 17307 1 100 no SP P03347 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 80.00 512 97.62 97.62 7.19e-49 . . . . 17307 1 101 no SP P03348 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 80.00 512 97.62 97.62 6.76e-49 . . . . 17307 1 102 no SP P03366 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 80.00 1447 97.62 97.62 1.34e-46 . . . . 17307 1 103 no SP P03367 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 80.00 1447 97.62 97.62 1.34e-46 . . . . 17307 1 104 no SP P04585 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 80.00 1435 97.62 97.62 9.94e-47 . . . . 17307 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 1 127 MET . 17307 1 2 128 GLY . 17307 1 3 129 SER . 17307 1 4 130 SER . 17307 1 5 131 HIS . 17307 1 6 132 HIS . 17307 1 7 133 HIS . 17307 1 8 134 HIS . 17307 1 9 135 HIS . 17307 1 10 136 HIS . 17307 1 11 137 SER . 17307 1 12 138 SER . 17307 1 13 139 GLY . 17307 1 14 140 LEU . 17307 1 15 141 VAL . 17307 1 16 142 PRO . 17307 1 17 143 ARG . 17307 1 18 144 GLY . 17307 1 19 145 SER . 17307 1 20 146 HIS . 17307 1 21 147 MET . 17307 1 22 148 THR . 17307 1 23 149 SER . 17307 1 24 150 ILE . 17307 1 25 151 LEU . 17307 1 26 152 ASP . 17307 1 27 153 ILE . 17307 1 28 154 ARG . 17307 1 29 155 GLN . 17307 1 30 156 GLY . 17307 1 31 157 PRO . 17307 1 32 158 LYS . 17307 1 33 159 GLU . 17307 1 34 160 PRO . 17307 1 35 161 PHE . 17307 1 36 162 ARG . 17307 1 37 163 ASP . 17307 1 38 164 TYR . 17307 1 39 165 VAL . 17307 1 40 166 ASP . 17307 1 41 167 ARG . 17307 1 42 168 PHE . 17307 1 43 169 TYR . 17307 1 44 170 LYS . 17307 1 45 171 THR . 17307 1 46 172 LEU . 17307 1 47 173 ARG . 17307 1 48 174 ALA . 17307 1 49 175 GLU . 17307 1 50 176 GLN . 17307 1 51 177 ALA . 17307 1 52 178 SER . 17307 1 53 179 GLN . 17307 1 54 180 GLU . 17307 1 55 181 VAL . 17307 1 56 182 LYS . 17307 1 57 183 ASN . 17307 1 58 184 ALA . 17307 1 59 185 ALA . 17307 1 60 186 THR . 17307 1 61 187 GLU . 17307 1 62 188 THR . 17307 1 63 189 LEU . 17307 1 64 190 LEU . 17307 1 65 191 VAL . 17307 1 66 192 GLN . 17307 1 67 193 ASN . 17307 1 68 194 ALA . 17307 1 69 195 ASN . 17307 1 70 196 PRO . 17307 1 71 197 ASP . 17307 1 72 198 CYS . 17307 1 73 199 LYS . 17307 1 74 200 THR . 17307 1 75 201 ILE . 17307 1 76 202 LEU . 17307 1 77 203 LYS . 17307 1 78 204 ALA . 17307 1 79 205 LEU . 17307 1 80 206 GLY . 17307 1 81 207 PRO . 17307 1 82 208 ALA . 17307 1 83 209 ALA . 17307 1 84 210 THR . 17307 1 85 211 LEU . 17307 1 86 212 GLU . 17307 1 87 213 GLU . 17307 1 88 214 MET . 17307 1 89 215 MET . 17307 1 90 216 THR . 17307 1 91 217 ALA . 17307 1 92 218 CYS . 17307 1 93 219 GLN . 17307 1 94 220 GLY . 17307 1 95 221 VAL . 17307 1 96 222 GLY . 17307 1 97 223 GLY . 17307 1 98 224 PRO . 17307 1 99 225 GLY . 17307 1 100 226 HIS . 17307 1 101 227 LYS . 17307 1 102 228 ALA . 17307 1 103 229 ARG . 17307 1 104 230 VAL . 17307 1 105 231 LEU . 17307 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17307 1 . GLY 2 2 17307 1 . SER 3 3 17307 1 . SER 4 4 17307 1 . HIS 5 5 17307 1 . HIS 6 6 17307 1 . HIS 7 7 17307 1 . HIS 8 8 17307 1 . HIS 9 9 17307 1 . HIS 10 10 17307 1 . SER 11 11 17307 1 . SER 12 12 17307 1 . GLY 13 13 17307 1 . LEU 14 14 17307 1 . VAL 15 15 17307 1 . PRO 16 16 17307 1 . ARG 17 17 17307 1 . GLY 18 18 17307 1 . SER 19 19 17307 1 . HIS 20 20 17307 1 . MET 21 21 17307 1 . THR 22 22 17307 1 . SER 23 23 17307 1 . ILE 24 24 17307 1 . LEU 25 25 17307 1 . ASP 26 26 17307 1 . ILE 27 27 17307 1 . ARG 28 28 17307 1 . GLN 29 29 17307 1 . GLY 30 30 17307 1 . PRO 31 31 17307 1 . LYS 32 32 17307 1 . GLU 33 33 17307 1 . PRO 34 34 17307 1 . PHE 35 35 17307 1 . ARG 36 36 17307 1 . ASP 37 37 17307 1 . TYR 38 38 17307 1 . VAL 39 39 17307 1 . ASP 40 40 17307 1 . ARG 41 41 17307 1 . PHE 42 42 17307 1 . TYR 43 43 17307 1 . LYS 44 44 17307 1 . THR 45 45 17307 1 . LEU 46 46 17307 1 . ARG 47 47 17307 1 . ALA 48 48 17307 1 . GLU 49 49 17307 1 . GLN 50 50 17307 1 . ALA 51 51 17307 1 . SER 52 52 17307 1 . GLN 53 53 17307 1 . GLU 54 54 17307 1 . VAL 55 55 17307 1 . LYS 56 56 17307 1 . ASN 57 57 17307 1 . ALA 58 58 17307 1 . ALA 59 59 17307 1 . THR 60 60 17307 1 . GLU 61 61 17307 1 . THR 62 62 17307 1 . LEU 63 63 17307 1 . LEU 64 64 17307 1 . VAL 65 65 17307 1 . GLN 66 66 17307 1 . ASN 67 67 17307 1 . ALA 68 68 17307 1 . ASN 69 69 17307 1 . PRO 70 70 17307 1 . ASP 71 71 17307 1 . CYS 72 72 17307 1 . LYS 73 73 17307 1 . THR 74 74 17307 1 . ILE 75 75 17307 1 . LEU 76 76 17307 1 . LYS 77 77 17307 1 . ALA 78 78 17307 1 . LEU 79 79 17307 1 . GLY 80 80 17307 1 . PRO 81 81 17307 1 . ALA 82 82 17307 1 . ALA 83 83 17307 1 . THR 84 84 17307 1 . LEU 85 85 17307 1 . GLU 86 86 17307 1 . GLU 87 87 17307 1 . MET 88 88 17307 1 . MET 89 89 17307 1 . THR 90 90 17307 1 . ALA 91 91 17307 1 . CYS 92 92 17307 1 . GLN 93 93 17307 1 . GLY 94 94 17307 1 . VAL 95 95 17307 1 . GLY 96 96 17307 1 . GLY 97 97 17307 1 . PRO 98 98 17307 1 . GLY 99 99 17307 1 . HIS 100 100 17307 1 . LYS 101 101 17307 1 . ALA 102 102 17307 1 . ARG 103 103 17307 1 . VAL 104 104 17307 1 . LEU 105 105 17307 1 stop_ save_ save_NYAD-13_Peptide_Inhibitor _Entity.Sf_category entity _Entity.Sf_framecode NYAD-13_Peptide_Inhibitor _Entity.Entry_ID 17307 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NYAD-13_Peptide_Inhibitor _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ITFXDLLXYYGKKK _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; X=MK8 cis double bond between CE atoms of residue 4 and 8. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'stapled peptide' _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 . ILE . 17307 2 2 . THR . 17307 2 3 . PHE . 17307 2 4 . MK8 . 17307 2 5 . ASP . 17307 2 6 . LEU . 17307 2 7 . LEU . 17307 2 8 . MK8 . 17307 2 9 . TYR . 17307 2 10 . TYR . 17307 2 11 . GLY . 17307 2 12 . LYS . 17307 2 13 . LYS . 17307 2 14 . LYS . 17307 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ILE 1 1 17307 2 . THR 2 2 17307 2 . PHE 3 3 17307 2 . MK8 4 4 17307 2 . ASP 5 5 17307 2 . LEU 6 6 17307 2 . LEU 7 7 17307 2 . MK8 8 8 17307 2 . TYR 9 9 17307 2 . TYR 10 10 17307 2 . GLY 11 11 17307 2 . LYS 12 12 17307 2 . LYS 13 13 17307 2 . LYS 14 14 17307 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 17307 _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 $Capsid_protein_p24 . 11676 virus . HIV-1 HIV-1 . 00.061.1.06.009. virus . Lentivirus . . . . . . . . . . . . . . . . . . . . . . 17307 1 2 2 $NYAD-13_Peptide_Inhibitor . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17307 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 17307 _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 $Capsid_protein_p24 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET14b . . . . . . 17307 1 2 2 $NYAD-13_Peptide_Inhibitor . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17307 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MK8 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MK8 _Chem_comp.Entry_ID 17307 _Chem_comp.ID MK8 _Chem_comp.Provenance . _Chem_comp.Name 2-METHYL-L-NORLEUCINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code MK8 _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 L _Chem_comp.Three_letter_code MK8 _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 no _Chem_comp.Aromatic no _Chem_comp.Formula 'C7 H15 N O2' _Chem_comp.Formula_weight 145.199 _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 yes _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _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 13:49:29 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 CCCCC(C(=O)O)NC SMILES 'OpenEye OEToolkits' 1.5.0 17307 MK8 CCCC[C@@H](C(=O)O)NC SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17307 MK8 CCCC[C@H](NC)C(O)=O SMILES_CANONICAL CACTVS 3.341 17307 MK8 CCCC[CH](NC)C(O)=O SMILES CACTVS 3.341 17307 MK8 FPDYKABXINADKS-YXVDDBQFDJ InChIKey InChI 1.02b 17307 MK8 InChI=1/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1/f/h9H InChI InChI 1.02b 17307 MK8 O=C(O)C(NC)CCCC SMILES ACDLabs 10.04 17307 MK8 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-methylaminohexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17307 MK8 N-methyl-L-norleucine 'SYSTEMATIC NAME' ACDLabs 10.04 17307 MK8 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 C . C . . C . . N 0 . . . . . . . . . . 35.451 . 20.153 . 1.789 . 4.850 -0.948 -4.020 . . 17307 MK8 C1 . C1 . . C . . N 0 . . . . . . . . . . 37.846 . 22.189 . 3.504 . 6.274 0.940 -5.464 . . 17307 MK8 CA . CA . . C . . S 0 . . . . . . . . . . 36.766 . 20.130 . 2.582 . 4.612 0.530 -3.782 . . 17307 MK8 CB . CB . . C . . N 0 . . . . . . . . . . 37.129 . 18.756 . 3.182 . 3.178 0.814 -3.337 . . 17307 MK8 CD . CD . . C . . N 0 . . . . . . . . . . 38.887 . 17.426 . 4.462 . 1.353 0.362 -1.650 . . 17307 MK8 CE . CE . . C . . N 0 . . . . . . . . . . 38.084 . 17.122 . 5.732 . 0.985 -0.336 -0.350 . . 17307 MK8 CG . CG . . C . . N 0 . . . . . . . . . . 38.514 . 18.780 . 3.845 . 2.802 0.078 -2.048 . . 17307 MK8 H . H . . H . . N 0 . . . . . . . . . . 35.880 . 21.647 . 3.630 . 4.756 2.191 -4.947 . . 17307 MK8 HA . HA . . H . . N 0 . . . . . . . . . . 37.506 . 20.360 . 1.825 . 5.343 0.925 -3.069 . . 17307 MK8 HB2 . HB2 . . H . . N 0 . . . . . . . . . . 37.139 . 18.013 . 2.383 . 3.058 1.894 -3.178 . . 17307 MK8 HB3 . HB3 . . H . . N 0 . . . . . . . . . . 36.386 . 18.454 . 3.917 . 2.474 0.538 -4.133 . . 17307 MK8 HC1 . HC1 . . H . . N 0 . . . . . . . . . . 37.456 . 23.093 . 3.037 . 6.972 1.374 -4.744 . . 17307 MK8 HC2 . HC2 . . H . . N 0 . . . . . . . . . . 38.237 . 22.435 . 4.491 . 6.451 1.392 -6.444 . . 17307 MK8 HC3 . HC3 . . H . . N 0 . . . . . . . . . . 38.685 . 21.827 . 2.909 . 6.465 -0.135 -5.535 . . 17307 MK8 HD2 . HD2 . . H . . N 0 . . . . . . . . . . 38.736 . 16.630 . 3.731 . 1.203 1.441 -1.533 . . 17307 MK8 HD3 . HD3 . . H . . N 0 . . . . . . . . . . 39.944 . 17.452 . 4.730 . 0.676 0.024 -2.444 . . 17307 MK8 HE1 . HE1 . . H . . N 0 . . . . . . . . . . 38.446 . 16.192 . 6.171 . 1.092 -1.421 -0.444 . . 17307 MK8 HE2 . HE2 . . H . . N 0 . . . . . . . . . . 38.214 . 17.927 . 6.457 . -0.054 -0.119 -0.084 . . 17307 MK8 HE3 . HE3 . . H . . N 0 . . . . . . . . . . 37.026 . 17.009 . 5.506 . 1.625 0.003 0.471 . . 17307 MK8 HG2 . HG2 . . H . . N 0 . . . . . . . . . . 39.256 . 19.030 . 3.086 . 2.934 -1.002 -2.181 . . 17307 MK8 HG3 . HG3 . . H . . N 0 . . . . . . . . . . 38.550 . 19.540 . 4.627 . 3.472 0.390 -1.238 . . 17307 MK8 HO1 . HO1 . . H . . N 0 . . . . . . . . . . -0.813 . 0.014 . -0.490 . 6.049 -2.393 -3.369 . . 17307 MK8 N . N . . N . . N 0 . . . . . . . . . . 36.788 . 21.183 . 3.603 . 4.897 1.181 -5.038 . . 17307 MK8 O . O . . O . . N 0 . . . . . . . . . . 35.175 . 21.133 . 1.096 . 4.184 -1.653 -4.769 . . 17307 MK8 OXT . OXT . . O . . N 0 . . . . . . . . . . . . . . . . 5.874 -1.433 -3.271 . . 17307 MK8 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 . SING C1 N . . . . 17307 MK8 2 . SING C1 HC1 . . . . 17307 MK8 3 . SING C1 HC2 . . . . 17307 MK8 4 . SING C1 HC3 . . . . 17307 MK8 5 . SING N CA . . . . 17307 MK8 6 . SING N H . . . . 17307 MK8 7 . SING CA C . . . . 17307 MK8 8 . SING CA CB . . . . 17307 MK8 9 . SING CA HA . . . . 17307 MK8 10 . DOUB C O . . . . 17307 MK8 11 . SING C OXT . . . . 17307 MK8 12 . SING CB CG . . . . 17307 MK8 13 . SING CB HB2 . . . . 17307 MK8 14 . SING CB HB3 . . . . 17307 MK8 15 . SING CG CD . . . . 17307 MK8 16 . SING CG HG2 . . . . 17307 MK8 17 . SING CG HG3 . . . . 17307 MK8 18 . SING CD CE . . . . 17307 MK8 19 . SING CD HD2 . . . . 17307 MK8 20 . SING CD HD3 . . . . 17307 MK8 21 . SING CE HE1 . . . . 17307 MK8 22 . SING CE HE2 . . . . 17307 MK8 23 . SING CE HE3 . . . . 17307 MK8 24 . SING OXT HO1 . . . . 17307 MK8 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17307 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Capsid protein p24' '[U-100% 13C; U-100% 15N]' . . 1 $Capsid_protein_p24 . . 600 . . uM . . . . 17307 1 2 'NYAD-13 Peptide Inhibitor' 'natural abundance' . . 2 $NYAD-13_Peptide_Inhibitor . . 900 . . uM . . . . 17307 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17307 1 4 'ammonium acetate' 'natural abundance' . . . . . . 100 . . mM . . . . 17307 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17307 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17307 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17307 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Capsid protein p24' '[U-100% 13C; U-100% 15N]' . . 1 $Capsid_protein_p24 . . 600 . . uM . . . . 17307 2 2 'NYAD-13 Peptide Inhibitor' 'natural abundance' . . 2 $NYAD-13_Peptide_Inhibitor . . 900 . . uM . . . . 17307 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17307 2 4 'ammonium acetate' 'natural abundance' . . . . . . 100 . . mM . . . . 17307 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17307 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17307 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 17307 1 pH 7.0 . pH 17307 1 pressure 1 . atm 17307 1 temperature 298 . K 17307 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17307 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17307 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17307 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17307 _Software.ID 2 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17307 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17307 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17307 _Software.ID 3 _Software.Name CARA _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller, Wuthrich' . . 17307 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17307 3 'peak picking' 17307 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17307 _Software.ID 4 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17307 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17307 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 17307 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17307 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 17307 _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 . 800 . . . 17307 1 2 spectrometer_2 Bruker Avance . 900 . . . 17307 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 17307 _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 . . . . . . . . . . . . . . . . 17307 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17307 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17307 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17307 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17307 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17307 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17307 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17307 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17307 1 10 '2D f1,f2 filtered 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17307 1 11 '2D f2 filtered 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17307 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17307 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17307 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 17307 _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 . . . . . . . . . 17307 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17307 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17307 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 17307 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17307 1 8 '3D 1H-15N NOESY' . . . 17307 1 9 '3D 1H-13C NOESY' . . . 17307 1 10 '2D f1,f2 filtered 1H-1H NOESY' . . . 17307 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 12 12 SER C C 13 174.857 0.50 . 1 . . . . 138 SER C . 17307 1 2 . 1 1 12 12 SER CA C 13 58.484 0.50 . 1 . . . . 138 SER CA . 17307 1 3 . 1 1 12 12 SER CB C 13 63.629 0.50 . 1 . . . . 138 SER CB . 17307 1 4 . 1 1 13 13 GLY H H 1 8.350 0.05 . 1 . . . . 139 GLY H . 17307 1 5 . 1 1 13 13 GLY HA2 H 1 3.868 0.05 . 2 . . . . 139 GLY HA2 . 17307 1 6 . 1 1 13 13 GLY HA3 H 1 3.868 0.05 . 2 . . . . 139 GLY HA3 . 17307 1 7 . 1 1 13 13 GLY C C 13 173.693 0.50 . 1 . . . . 139 GLY C . 17307 1 8 . 1 1 13 13 GLY CA C 13 44.887 0.50 . 1 . . . . 139 GLY CA . 17307 1 9 . 1 1 13 13 GLY N N 15 110.492 0.10 . 1 . . . . 139 GLY N . 17307 1 10 . 1 1 14 14 LEU H H 1 7.997 0.05 . 1 . . . . 140 LEU H . 17307 1 11 . 1 1 14 14 LEU C C 13 176.969 0.50 . 1 . . . . 140 LEU C . 17307 1 12 . 1 1 14 14 LEU CA C 13 54.924 0.50 . 1 . . . . 140 LEU CA . 17307 1 13 . 1 1 14 14 LEU CB C 13 42.230 0.50 . 1 . . . . 140 LEU CB . 17307 1 14 . 1 1 14 14 LEU N N 15 121.445 0.10 . 1 . . . . 140 LEU N . 17307 1 15 . 1 1 15 15 VAL H H 1 8.053 0.05 . 1 . . . . 141 VAL H . 17307 1 16 . 1 1 15 15 VAL C C 13 174.228 0.50 . 1 . . . . 141 VAL C . 17307 1 17 . 1 1 15 15 VAL CA C 13 59.845 0.50 . 1 . . . . 141 VAL CA . 17307 1 18 . 1 1 15 15 VAL CB C 13 32.488 0.50 . 1 . . . . 141 VAL CB . 17307 1 19 . 1 1 15 15 VAL N N 15 122.487 0.10 . 1 . . . . 141 VAL N . 17307 1 20 . 1 1 16 16 PRO HA H 1 4.304 0.05 . 1 . . . . 142 PRO HA . 17307 1 21 . 1 1 16 16 PRO HB2 H 1 1.774 0.05 . 2 . . . . 142 PRO HB2 . 17307 1 22 . 1 1 16 16 PRO HB3 H 1 2.181 0.05 . 2 . . . . 142 PRO HB3 . 17307 1 23 . 1 1 16 16 PRO C C 13 176.712 0.50 . 1 . . . . 142 PRO C . 17307 1 24 . 1 1 16 16 PRO CA C 13 62.802 0.50 . 1 . . . . 142 PRO CA . 17307 1 25 . 1 1 16 16 PRO CB C 13 31.889 0.50 . 1 . . . . 142 PRO CB . 17307 1 26 . 1 1 17 17 ARG H H 1 8.447 0.05 . 1 . . . . 143 ARG H . 17307 1 27 . 1 1 17 17 ARG C C 13 176.899 0.50 . 1 . . . . 143 ARG C . 17307 1 28 . 1 1 17 17 ARG CA C 13 56.302 0.50 . 1 . . . . 143 ARG CA . 17307 1 29 . 1 1 17 17 ARG CB C 13 30.520 0.50 . 1 . . . . 143 ARG CB . 17307 1 30 . 1 1 17 17 ARG N N 15 121.958 0.10 . 1 . . . . 143 ARG N . 17307 1 31 . 1 1 18 18 GLY H H 1 8.442 0.05 . 1 . . . . 144 GLY H . 17307 1 32 . 1 1 18 18 GLY C C 13 173.971 0.50 . 1 . . . . 144 GLY C . 17307 1 33 . 1 1 18 18 GLY CA C 13 45.084 0.50 . 1 . . . . 144 GLY CA . 17307 1 34 . 1 1 18 18 GLY N N 15 110.366 0.10 . 1 . . . . 144 GLY N . 17307 1 35 . 1 1 19 19 SER H H 1 8.182 0.05 . 1 . . . . 145 SER H . 17307 1 36 . 1 1 19 19 SER C C 13 174.142 0.50 . 1 . . . . 145 SER C . 17307 1 37 . 1 1 19 19 SER CA C 13 58.298 0.50 . 1 . . . . 145 SER CA . 17307 1 38 . 1 1 19 19 SER CB C 13 63.838 0.50 . 1 . . . . 145 SER CB . 17307 1 39 . 1 1 19 19 SER N N 15 115.802 0.10 . 1 . . . . 145 SER N . 17307 1 40 . 1 1 21 21 MET HA H 1 4.326 0.05 . 1 . . . . 147 MET HA . 17307 1 41 . 1 1 21 21 MET HB2 H 1 1.887 0.05 . 2 . . . . 147 MET HB2 . 17307 1 42 . 1 1 21 21 MET HB3 H 1 1.927 0.05 . 2 . . . . 147 MET HB3 . 17307 1 43 . 1 1 21 21 MET HG2 H 1 2.259 0.05 . 2 . . . . 147 MET HG2 . 17307 1 44 . 1 1 21 21 MET C C 13 174.721 0.50 . 1 . . . . 147 MET C . 17307 1 45 . 1 1 21 21 MET CA C 13 55.469 0.50 . 1 . . . . 147 MET CA . 17307 1 46 . 1 1 21 21 MET CB C 13 27.140 0.50 . 1 . . . . 147 MET CB . 17307 1 47 . 1 1 22 22 THR H H 1 8.160 0.05 . 1 . . . . 148 THR H . 17307 1 48 . 1 1 22 22 THR HA H 1 4.142 0.05 . 1 . . . . 148 THR HA . 17307 1 49 . 1 1 22 22 THR HB H 1 4.011 0.05 . 1 . . . . 148 THR HB . 17307 1 50 . 1 1 22 22 THR HG21 H 1 1.077 0.05 . 1 . . . . 148 THR HG2 . 17307 1 51 . 1 1 22 22 THR HG22 H 1 1.077 0.05 . 1 . . . . 148 THR HG2 . 17307 1 52 . 1 1 22 22 THR HG23 H 1 1.077 0.05 . 1 . . . . 148 THR HG2 . 17307 1 53 . 1 1 22 22 THR C C 13 174.828 0.50 . 1 . . . . 148 THR C . 17307 1 54 . 1 1 22 22 THR CA C 13 62.899 0.50 . 1 . . . . 148 THR CA . 17307 1 55 . 1 1 22 22 THR CB C 13 69.806 0.50 . 1 . . . . 148 THR CB . 17307 1 56 . 1 1 22 22 THR CG2 C 13 21.971 0.50 . 1 . . . . 148 THR CG2 . 17307 1 57 . 1 1 22 22 THR N N 15 115.799 0.10 . 1 . . . . 148 THR N . 17307 1 58 . 1 1 23 23 SER H H 1 8.679 0.05 . 1 . . . . 149 SER H . 17307 1 59 . 1 1 23 23 SER HA H 1 4.377 0.05 . 1 . . . . 149 SER HA . 17307 1 60 . 1 1 23 23 SER HB2 H 1 3.627 0.05 . 2 . . . . 149 SER HB2 . 17307 1 61 . 1 1 23 23 SER HB3 H 1 3.821 0.05 . 2 . . . . 149 SER HB3 . 17307 1 62 . 1 1 23 23 SER C C 13 176.841 0.50 . 1 . . . . 149 SER C . 17307 1 63 . 1 1 23 23 SER CA C 13 58.503 0.50 . 1 . . . . 149 SER CA . 17307 1 64 . 1 1 23 23 SER CB C 13 64.096 0.50 . 1 . . . . 149 SER CB . 17307 1 65 . 1 1 23 23 SER N N 15 119.924 0.10 . 1 . . . . 149 SER N . 17307 1 66 . 1 1 24 24 ILE H H 1 8.420 0.05 . 1 . . . . 150 ILE H . 17307 1 67 . 1 1 24 24 ILE HA H 1 3.901 0.05 . 1 . . . . 150 ILE HA . 17307 1 68 . 1 1 24 24 ILE HB H 1 1.347 0.05 . 1 . . . . 150 ILE HB . 17307 1 69 . 1 1 24 24 ILE HG12 H 1 0.587 0.05 . 2 . . . . 150 ILE HG12 . 17307 1 70 . 1 1 24 24 ILE HG13 H 1 0.971 0.05 . 2 . . . . 150 ILE HG13 . 17307 1 71 . 1 1 24 24 ILE HG21 H 1 0.609 0.05 . 1 . . . . 150 ILE HG2 . 17307 1 72 . 1 1 24 24 ILE HG22 H 1 0.609 0.05 . 1 . . . . 150 ILE HG2 . 17307 1 73 . 1 1 24 24 ILE HG23 H 1 0.609 0.05 . 1 . . . . 150 ILE HG2 . 17307 1 74 . 1 1 24 24 ILE HD11 H 1 -0.160 0.05 . 1 . . . . 150 ILE HD1 . 17307 1 75 . 1 1 24 24 ILE HD12 H 1 -0.160 0.05 . 1 . . . . 150 ILE HD1 . 17307 1 76 . 1 1 24 24 ILE HD13 H 1 -0.160 0.05 . 1 . . . . 150 ILE HD1 . 17307 1 77 . 1 1 24 24 ILE C C 13 175.063 0.50 . 1 . . . . 150 ILE C . 17307 1 78 . 1 1 24 24 ILE CA C 13 59.515 0.50 . 1 . . . . 150 ILE CA . 17307 1 79 . 1 1 24 24 ILE CB C 13 39.192 0.50 . 1 . . . . 150 ILE CB . 17307 1 80 . 1 1 24 24 ILE CG1 C 13 28.770 0.50 . 1 . . . . 150 ILE CG1 . 17307 1 81 . 1 1 24 24 ILE CG2 C 13 18.881 0.50 . 1 . . . . 150 ILE CG2 . 17307 1 82 . 1 1 24 24 ILE CD1 C 13 14.811 0.50 . 1 . . . . 150 ILE CD1 . 17307 1 83 . 1 1 24 24 ILE N N 15 123.568 0.10 . 1 . . . . 150 ILE N . 17307 1 84 . 1 1 25 25 LEU H H 1 7.290 0.05 . 1 . . . . 151 LEU H . 17307 1 85 . 1 1 25 25 LEU HA H 1 3.861 0.05 . 1 . . . . 151 LEU HA . 17307 1 86 . 1 1 25 25 LEU HB2 H 1 1.426 0.05 . 2 . . . . 151 LEU HB2 . 17307 1 87 . 1 1 25 25 LEU HB3 H 1 1.532 0.05 . 2 . . . . 151 LEU HB3 . 17307 1 88 . 1 1 25 25 LEU HG H 1 1.496 0.05 . 1 . . . . 151 LEU HG . 17307 1 89 . 1 1 25 25 LEU HD11 H 1 0.792 0.05 . 2 . . . . 151 LEU HD1 . 17307 1 90 . 1 1 25 25 LEU HD12 H 1 0.792 0.05 . 2 . . . . 151 LEU HD1 . 17307 1 91 . 1 1 25 25 LEU HD13 H 1 0.792 0.05 . 2 . . . . 151 LEU HD1 . 17307 1 92 . 1 1 25 25 LEU HD21 H 1 0.798 0.05 . 2 . . . . 151 LEU HD2 . 17307 1 93 . 1 1 25 25 LEU HD22 H 1 0.798 0.05 . 2 . . . . 151 LEU HD2 . 17307 1 94 . 1 1 25 25 LEU HD23 H 1 0.798 0.05 . 2 . . . . 151 LEU HD2 . 17307 1 95 . 1 1 25 25 LEU C C 13 177.612 0.50 . 1 . . . . 151 LEU C . 17307 1 96 . 1 1 25 25 LEU CA C 13 56.972 0.50 . 1 . . . . 151 LEU CA . 17307 1 97 . 1 1 25 25 LEU CB C 13 41.727 0.50 . 1 . . . . 151 LEU CB . 17307 1 98 . 1 1 25 25 LEU CG C 13 27.342 0.50 . 1 . . . . 151 LEU CG . 17307 1 99 . 1 1 25 25 LEU CD1 C 13 23.151 0.50 . 2 . . . . 151 LEU CD1 . 17307 1 100 . 1 1 25 25 LEU CD2 C 13 25.247 0.50 . 2 . . . . 151 LEU CD2 . 17307 1 101 . 1 1 25 25 LEU N N 15 119.449 0.10 . 1 . . . . 151 LEU N . 17307 1 102 . 1 1 26 26 ASP H H 1 7.434 0.05 . 1 . . . . 152 ASP H . 17307 1 103 . 1 1 26 26 ASP HA H 1 4.642 0.05 . 1 . . . . 152 ASP HA . 17307 1 104 . 1 1 26 26 ASP HB2 H 1 2.528 0.05 . 2 . . . . 152 ASP HB2 . 17307 1 105 . 1 1 26 26 ASP HB3 H 1 2.826 0.05 . 2 . . . . 152 ASP HB3 . 17307 1 106 . 1 1 26 26 ASP C C 13 175.941 0.50 . 1 . . . . 152 ASP C . 17307 1 107 . 1 1 26 26 ASP CA C 13 53.940 0.50 . 1 . . . . 152 ASP CA . 17307 1 108 . 1 1 26 26 ASP CB C 13 41.918 0.50 . 1 . . . . 152 ASP CB . 17307 1 109 . 1 1 26 26 ASP N N 15 114.499 0.10 . 1 . . . . 152 ASP N . 17307 1 110 . 1 1 27 27 ILE H H 1 7.292 0.05 . 1 . . . . 153 ILE H . 17307 1 111 . 1 1 27 27 ILE HA H 1 4.096 0.05 . 1 . . . . 153 ILE HA . 17307 1 112 . 1 1 27 27 ILE HB H 1 2.316 0.05 . 1 . . . . 153 ILE HB . 17307 1 113 . 1 1 27 27 ILE HG12 H 1 1.167 0.05 . 2 . . . . 153 ILE HG12 . 17307 1 114 . 1 1 27 27 ILE HG13 H 1 1.657 0.05 . 2 . . . . 153 ILE HG13 . 17307 1 115 . 1 1 27 27 ILE HG21 H 1 0.895 0.05 . 1 . . . . 153 ILE HG2 . 17307 1 116 . 1 1 27 27 ILE HG22 H 1 0.895 0.05 . 1 . . . . 153 ILE HG2 . 17307 1 117 . 1 1 27 27 ILE HG23 H 1 0.895 0.05 . 1 . . . . 153 ILE HG2 . 17307 1 118 . 1 1 27 27 ILE HD11 H 1 0.590 0.05 . 1 . . . . 153 ILE HD1 . 17307 1 119 . 1 1 27 27 ILE HD12 H 1 0.590 0.05 . 1 . . . . 153 ILE HD1 . 17307 1 120 . 1 1 27 27 ILE HD13 H 1 0.590 0.05 . 1 . . . . 153 ILE HD1 . 17307 1 121 . 1 1 27 27 ILE C C 13 173.436 0.50 . 1 . . . . 153 ILE C . 17307 1 122 . 1 1 27 27 ILE CA C 13 59.353 0.50 . 1 . . . . 153 ILE CA . 17307 1 123 . 1 1 27 27 ILE CB C 13 34.367 0.50 . 1 . . . . 153 ILE CB . 17307 1 124 . 1 1 27 27 ILE CG1 C 13 27.021 0.50 . 1 . . . . 153 ILE CG1 . 17307 1 125 . 1 1 27 27 ILE CG2 C 13 16.869 0.50 . 1 . . . . 153 ILE CG2 . 17307 1 126 . 1 1 27 27 ILE CD1 C 13 9.753 0.50 . 1 . . . . 153 ILE CD1 . 17307 1 127 . 1 1 27 27 ILE N N 15 121.966 0.10 . 1 . . . . 153 ILE N . 17307 1 128 . 1 1 28 28 ARG H H 1 8.288 0.05 . 1 . . . . 154 ARG H . 17307 1 129 . 1 1 28 28 ARG HA H 1 4.850 0.05 . 1 . . . . 154 ARG HA . 17307 1 130 . 1 1 28 28 ARG HB2 H 1 1.598 0.05 . 2 . . . . 154 ARG HB2 . 17307 1 131 . 1 1 28 28 ARG HB3 H 1 1.772 0.05 . 2 . . . . 154 ARG HB3 . 17307 1 132 . 1 1 28 28 ARG HG2 H 1 1.446 0.05 . 2 . . . . 154 ARG HG2 . 17307 1 133 . 1 1 28 28 ARG HG3 H 1 1.439 0.05 . 2 . . . . 154 ARG HG3 . 17307 1 134 . 1 1 28 28 ARG HD2 H 1 3.109 0.05 . 2 . . . . 154 ARG HD2 . 17307 1 135 . 1 1 28 28 ARG HD3 H 1 3.148 0.05 . 2 . . . . 154 ARG HD3 . 17307 1 136 . 1 1 28 28 ARG C C 13 175.513 0.50 . 1 . . . . 154 ARG C . 17307 1 137 . 1 1 28 28 ARG CA C 13 53.826 0.50 . 1 . . . . 154 ARG CA . 17307 1 138 . 1 1 28 28 ARG CB C 13 33.044 0.50 . 1 . . . . 154 ARG CB . 17307 1 139 . 1 1 28 28 ARG CG C 13 27.008 0.50 . 1 . . . . 154 ARG CG . 17307 1 140 . 1 1 28 28 ARG CD C 13 43.263 0.50 . 1 . . . . 154 ARG CD . 17307 1 141 . 1 1 28 28 ARG N N 15 125.105 0.10 . 1 . . . . 154 ARG N . 17307 1 142 . 1 1 29 29 GLN H H 1 7.726 0.05 . 1 . . . . 155 GLN H . 17307 1 143 . 1 1 29 29 GLN HA H 1 3.882 0.05 . 1 . . . . 155 GLN HA . 17307 1 144 . 1 1 29 29 GLN HB2 H 1 0.126 0.05 . 2 . . . . 155 GLN HB2 . 17307 1 145 . 1 1 29 29 GLN HB3 H 1 1.757 0.05 . 2 . . . . 155 GLN HB3 . 17307 1 146 . 1 1 29 29 GLN HG2 H 1 3.121 0.05 . 2 . . . . 155 GLN HG2 . 17307 1 147 . 1 1 29 29 GLN HG3 H 1 2.097 0.05 . 2 . . . . 155 GLN HG3 . 17307 1 148 . 1 1 29 29 GLN HE21 H 1 6.654 0.05 . 2 . . . . 155 GLN HE21 . 17307 1 149 . 1 1 29 29 GLN HE22 H 1 7.606 0.05 . 2 . . . . 155 GLN HE22 . 17307 1 150 . 1 1 29 29 GLN C C 13 177.055 0.50 . 1 . . . . 155 GLN C . 17307 1 151 . 1 1 29 29 GLN CA C 13 55.955 0.50 . 1 . . . . 155 GLN CA . 17307 1 152 . 1 1 29 29 GLN CB C 13 27.520 0.50 . 1 . . . . 155 GLN CB . 17307 1 153 . 1 1 29 29 GLN CG C 13 32.815 0.50 . 1 . . . . 155 GLN CG . 17307 1 154 . 1 1 29 29 GLN N N 15 127.515 0.10 . 1 . . . . 155 GLN N . 17307 1 155 . 1 1 29 29 GLN NE2 N 15 108.264 0.10 . 1 . . . . 155 GLN NE2 . 17307 1 156 . 1 1 30 30 GLY H H 1 9.826 0.05 . 1 . . . . 156 GLY H . 17307 1 157 . 1 1 30 30 GLY HA2 H 1 3.915 0.05 . 2 . . . . 156 GLY HA2 . 17307 1 158 . 1 1 30 30 GLY HA3 H 1 4.322 0.05 . 2 . . . . 156 GLY HA3 . 17307 1 159 . 1 1 30 30 GLY C C 13 173.350 0.50 . 1 . . . . 156 GLY C . 17307 1 160 . 1 1 30 30 GLY CA C 13 45.079 0.50 . 1 . . . . 156 GLY CA . 17307 1 161 . 1 1 30 30 GLY N N 15 116.820 0.10 . 1 . . . . 156 GLY N . 17307 1 162 . 1 1 31 31 PRO HA H 1 4.199 0.05 . 1 . . . . 157 PRO HA . 17307 1 163 . 1 1 31 31 PRO HB2 H 1 1.932 0.05 . 2 . . . . 157 PRO HB2 . 17307 1 164 . 1 1 31 31 PRO HB3 H 1 2.399 0.05 . 2 . . . . 157 PRO HB3 . 17307 1 165 . 1 1 31 31 PRO HG2 H 1 2.024 0.05 . 2 . . . . 157 PRO HG2 . 17307 1 166 . 1 1 31 31 PRO HG3 H 1 2.096 0.05 . 2 . . . . 157 PRO HG3 . 17307 1 167 . 1 1 31 31 PRO HD2 H 1 4.243 0.05 . 2 . . . . 157 PRO HD2 . 17307 1 168 . 1 1 31 31 PRO HD3 H 1 3.761 0.05 . 2 . . . . 157 PRO HD3 . 17307 1 169 . 1 1 31 31 PRO C C 13 176.844 0.50 . 1 . . . . 157 PRO C . 17307 1 170 . 1 1 31 31 PRO CA C 13 65.616 0.50 . 1 . . . . 157 PRO CA . 17307 1 171 . 1 1 31 31 PRO CB C 13 32.104 0.50 . 1 . . . . 157 PRO CB . 17307 1 172 . 1 1 31 31 PRO CG C 13 27.564 0.50 . 1 . . . . 157 PRO CG . 17307 1 173 . 1 1 31 31 PRO CD C 13 51.636 0.50 . 1 . . . . 157 PRO CD . 17307 1 174 . 1 1 32 32 LYS H H 1 8.488 0.05 . 1 . . . . 158 LYS H . 17307 1 175 . 1 1 32 32 LYS HA H 1 4.489 0.05 . 1 . . . . 158 LYS HA . 17307 1 176 . 1 1 32 32 LYS HB2 H 1 1.524 0.05 . 2 . . . . 158 LYS HB2 . 17307 1 177 . 1 1 32 32 LYS HB3 H 1 2.036 0.05 . 2 . . . . 158 LYS HB3 . 17307 1 178 . 1 1 32 32 LYS HG2 H 1 1.257 0.05 . 2 . . . . 158 LYS HG2 . 17307 1 179 . 1 1 32 32 LYS HG3 H 1 1.288 0.05 . 2 . . . . 158 LYS HG3 . 17307 1 180 . 1 1 32 32 LYS HD2 H 1 1.632 0.05 . 2 . . . . 158 LYS HD2 . 17307 1 181 . 1 1 32 32 LYS HD3 H 1 1.642 0.05 . 2 . . . . 158 LYS HD3 . 17307 1 182 . 1 1 32 32 LYS HE2 H 1 2.908 0.05 . 2 . . . . 158 LYS HE2 . 17307 1 183 . 1 1 32 32 LYS HE3 H 1 2.908 0.05 . 2 . . . . 158 LYS HE3 . 17307 1 184 . 1 1 32 32 LYS C C 13 175.534 0.50 . 1 . . . . 158 LYS C . 17307 1 185 . 1 1 32 32 LYS CA C 13 53.921 0.50 . 1 . . . . 158 LYS CA . 17307 1 186 . 1 1 32 32 LYS CB C 13 32.594 0.50 . 1 . . . . 158 LYS CB . 17307 1 187 . 1 1 32 32 LYS CG C 13 24.973 0.50 . 1 . . . . 158 LYS CG . 17307 1 188 . 1 1 32 32 LYS CD C 13 28.876 0.50 . 1 . . . . 158 LYS CD . 17307 1 189 . 1 1 32 32 LYS CE C 13 42.101 0.50 . 1 . . . . 158 LYS CE . 17307 1 190 . 1 1 32 32 LYS N N 15 114.885 0.10 . 1 . . . . 158 LYS N . 17307 1 191 . 1 1 33 33 GLU H H 1 6.961 0.05 . 1 . . . . 159 GLU H . 17307 1 192 . 1 1 33 33 GLU HA H 1 4.522 0.05 . 1 . . . . 159 GLU HA . 17307 1 193 . 1 1 33 33 GLU HB2 H 1 1.779 0.05 . 2 . . . . 159 GLU HB2 . 17307 1 194 . 1 1 33 33 GLU HB3 H 1 2.198 0.05 . 2 . . . . 159 GLU HB3 . 17307 1 195 . 1 1 33 33 GLU HG2 H 1 2.310 0.05 . 2 . . . . 159 GLU HG2 . 17307 1 196 . 1 1 33 33 GLU HG3 H 1 2.597 0.05 . 2 . . . . 159 GLU HG3 . 17307 1 197 . 1 1 33 33 GLU C C 13 174.549 0.50 . 1 . . . . 159 GLU C . 17307 1 198 . 1 1 33 33 GLU CA C 13 53.426 0.50 . 1 . . . . 159 GLU CA . 17307 1 199 . 1 1 33 33 GLU CB C 13 32.085 0.50 . 1 . . . . 159 GLU CB . 17307 1 200 . 1 1 33 33 GLU CG C 13 34.646 0.50 . 1 . . . . 159 GLU CG . 17307 1 201 . 1 1 33 33 GLU N N 15 125.703 0.10 . 1 . . . . 159 GLU N . 17307 1 202 . 1 1 34 34 PRO HA H 1 4.382 0.05 . 1 . . . . 160 PRO HA . 17307 1 203 . 1 1 34 34 PRO HB2 H 1 1.813 0.05 . 2 . . . . 160 PRO HB2 . 17307 1 204 . 1 1 34 34 PRO HB3 H 1 2.499 0.05 . 2 . . . . 160 PRO HB3 . 17307 1 205 . 1 1 34 34 PRO HG2 H 1 1.946 0.05 . 2 . . . . 160 PRO HG2 . 17307 1 206 . 1 1 34 34 PRO HG3 H 1 2.174 0.05 . 2 . . . . 160 PRO HG3 . 17307 1 207 . 1 1 34 34 PRO HD2 H 1 3.765 0.05 . 2 . . . . 160 PRO HD2 . 17307 1 208 . 1 1 34 34 PRO HD3 H 1 4.246 0.05 . 2 . . . . 160 PRO HD3 . 17307 1 209 . 1 1 34 34 PRO C C 13 177.313 0.50 . 1 . . . . 160 PRO C . 17307 1 210 . 1 1 34 34 PRO CA C 13 63.553 0.50 . 1 . . . . 160 PRO CA . 17307 1 211 . 1 1 34 34 PRO CB C 13 32.608 0.50 . 1 . . . . 160 PRO CB . 17307 1 212 . 1 1 34 34 PRO CG C 13 28.462 0.50 . 1 . . . . 160 PRO CG . 17307 1 213 . 1 1 34 34 PRO CD C 13 51.893 0.50 . 1 . . . . 160 PRO CD . 17307 1 214 . 1 1 35 35 PHE H H 1 9.499 0.05 . 1 . . . . 161 PHE H . 17307 1 215 . 1 1 35 35 PHE HA H 1 4.431 0.05 . 1 . . . . 161 PHE HA . 17307 1 216 . 1 1 35 35 PHE HB2 H 1 2.924 0.05 . 2 . . . . 161 PHE HB2 . 17307 1 217 . 1 1 35 35 PHE HB3 H 1 3.505 0.05 . 2 . . . . 161 PHE HB3 . 17307 1 218 . 1 1 35 35 PHE HD1 H 1 7.256 0.05 . 1 . . . . 161 PHE HD1 . 17307 1 219 . 1 1 35 35 PHE HD2 H 1 7.256 0.05 . 1 . . . . 161 PHE HD2 . 17307 1 220 . 1 1 35 35 PHE HE1 H 1 6.889 0.05 . 1 . . . . 161 PHE HE1 . 17307 1 221 . 1 1 35 35 PHE HE2 H 1 6.889 0.05 . 1 . . . . 161 PHE HE2 . 17307 1 222 . 1 1 35 35 PHE HZ H 1 6.784 0.05 . 1 . . . . 161 PHE HZ . 17307 1 223 . 1 1 35 35 PHE C C 13 176.732 0.50 . 1 . . . . 161 PHE C . 17307 1 224 . 1 1 35 35 PHE CA C 13 63.050 0.50 . 1 . . . . 161 PHE CA . 17307 1 225 . 1 1 35 35 PHE CB C 13 39.705 0.50 . 1 . . . . 161 PHE CB . 17307 1 226 . 1 1 35 35 PHE CD1 C 13 131.826 0.50 . 3 . . . . 161 PHE CD1 . 17307 1 227 . 1 1 35 35 PHE CE1 C 13 131.292 0.50 . 3 . . . . 161 PHE CE1 . 17307 1 228 . 1 1 35 35 PHE CZ C 13 129.364 0.50 . 1 . . . . 161 PHE CZ . 17307 1 229 . 1 1 35 35 PHE N N 15 128.653 0.10 . 1 . . . . 161 PHE N . 17307 1 230 . 1 1 36 36 ARG H H 1 9.056 0.05 . 1 . . . . 162 ARG H . 17307 1 231 . 1 1 36 36 ARG HA H 1 3.662 0.05 . 1 . . . . 162 ARG HA . 17307 1 232 . 1 1 36 36 ARG HB2 H 1 1.727 0.05 . 2 . . . . 162 ARG HB2 . 17307 1 233 . 1 1 36 36 ARG HB3 H 1 1.913 0.05 . 2 . . . . 162 ARG HB3 . 17307 1 234 . 1 1 36 36 ARG HG2 H 1 1.703 0.05 . 2 . . . . 162 ARG HG2 . 17307 1 235 . 1 1 36 36 ARG HG3 H 1 1.636 0.05 . 2 . . . . 162 ARG HG3 . 17307 1 236 . 1 1 36 36 ARG HD2 H 1 3.208 0.05 . 2 . . . . 162 ARG HD2 . 17307 1 237 . 1 1 36 36 ARG HD3 H 1 3.225 0.05 . 2 . . . . 162 ARG HD3 . 17307 1 238 . 1 1 36 36 ARG C C 13 177.526 0.50 . 1 . . . . 162 ARG C . 17307 1 239 . 1 1 36 36 ARG CA C 13 59.550 0.50 . 1 . . . . 162 ARG CA . 17307 1 240 . 1 1 36 36 ARG CB C 13 30.055 0.50 . 1 . . . . 162 ARG CB . 17307 1 241 . 1 1 36 36 ARG CG C 13 27.102 0.50 . 1 . . . . 162 ARG CG . 17307 1 242 . 1 1 36 36 ARG CD C 13 43.391 0.50 . 1 . . . . 162 ARG CD . 17307 1 243 . 1 1 36 36 ARG N N 15 115.338 0.10 . 1 . . . . 162 ARG N . 17307 1 244 . 1 1 37 37 ASP H H 1 6.961 0.05 . 1 . . . . 163 ASP H . 17307 1 245 . 1 1 37 37 ASP HA H 1 4.420 0.05 . 1 . . . . 163 ASP HA . 17307 1 246 . 1 1 37 37 ASP HB2 H 1 2.855 0.05 . 2 . . . . 163 ASP HB2 . 17307 1 247 . 1 1 37 37 ASP HB3 H 1 2.855 0.05 . 2 . . . . 163 ASP HB3 . 17307 1 248 . 1 1 37 37 ASP C C 13 177.783 0.50 . 1 . . . . 163 ASP C . 17307 1 249 . 1 1 37 37 ASP CA C 13 56.976 0.50 . 1 . . . . 163 ASP CA . 17307 1 250 . 1 1 37 37 ASP CB C 13 40.215 0.50 . 1 . . . . 163 ASP CB . 17307 1 251 . 1 1 37 37 ASP N N 15 119.761 0.10 . 1 . . . . 163 ASP N . 17307 1 252 . 1 1 38 38 TYR H H 1 7.491 0.05 . 1 . . . . 164 TYR H . 17307 1 253 . 1 1 38 38 TYR HA H 1 4.345 0.05 . 1 . . . . 164 TYR HA . 17307 1 254 . 1 1 38 38 TYR HB2 H 1 2.814 0.05 . 2 . . . . 164 TYR HB2 . 17307 1 255 . 1 1 38 38 TYR HB3 H 1 3.141 0.05 . 2 . . . . 164 TYR HB3 . 17307 1 256 . 1 1 38 38 TYR HD1 H 1 6.483 0.05 . 3 . . . . 164 TYR HD1 . 17307 1 257 . 1 1 38 38 TYR HD2 H 1 6.762 0.05 . 3 . . . . 164 TYR HD2 . 17307 1 258 . 1 1 38 38 TYR HE1 H 1 6.461 0.05 . 3 . . . . 164 TYR HE1 . 17307 1 259 . 1 1 38 38 TYR HE2 H 1 6.571 0.05 . 3 . . . . 164 TYR HE2 . 17307 1 260 . 1 1 38 38 TYR HH H 1 9.331 0.05 . 1 . . . . 164 TYR HH . 17307 1 261 . 1 1 38 38 TYR C C 13 176.070 0.50 . 1 . . . . 164 TYR C . 17307 1 262 . 1 1 38 38 TYR CA C 13 59.514 0.50 . 1 . . . . 164 TYR CA . 17307 1 263 . 1 1 38 38 TYR CB C 13 38.318 0.50 . 1 . . . . 164 TYR CB . 17307 1 264 . 1 1 38 38 TYR CD1 C 13 134.024 0.50 . 3 . . . . 164 TYR CD1 . 17307 1 265 . 1 1 38 38 TYR CD2 C 13 131.818 0.50 . 3 . . . . 164 TYR CD2 . 17307 1 266 . 1 1 38 38 TYR CE1 C 13 115.754 0.50 . 3 . . . . 164 TYR CE1 . 17307 1 267 . 1 1 38 38 TYR CE2 C 13 117.865 0.50 . 3 . . . . 164 TYR CE2 . 17307 1 268 . 1 1 38 38 TYR N N 15 124.282 0.10 . 1 . . . . 164 TYR N . 17307 1 269 . 1 1 39 39 VAL H H 1 8.123 0.05 . 1 . . . . 165 VAL H . 17307 1 270 . 1 1 39 39 VAL HA H 1 2.627 0.05 . 1 . . . . 165 VAL HA . 17307 1 271 . 1 1 39 39 VAL HB H 1 1.508 0.05 . 1 . . . . 165 VAL HB . 17307 1 272 . 1 1 39 39 VAL HG11 H 1 0.701 0.05 . 2 . . . . 165 VAL HG1 . 17307 1 273 . 1 1 39 39 VAL HG12 H 1 0.701 0.05 . 2 . . . . 165 VAL HG1 . 17307 1 274 . 1 1 39 39 VAL HG13 H 1 0.701 0.05 . 2 . . . . 165 VAL HG1 . 17307 1 275 . 1 1 39 39 VAL HG21 H 1 -0.099 0.05 . 2 . . . . 165 VAL HG2 . 17307 1 276 . 1 1 39 39 VAL HG22 H 1 -0.099 0.05 . 2 . . . . 165 VAL HG2 . 17307 1 277 . 1 1 39 39 VAL HG23 H 1 -0.099 0.05 . 2 . . . . 165 VAL HG2 . 17307 1 278 . 1 1 39 39 VAL C C 13 177.119 0.50 . 1 . . . . 165 VAL C . 17307 1 279 . 1 1 39 39 VAL CA C 13 66.643 0.50 . 1 . . . . 165 VAL CA . 17307 1 280 . 1 1 39 39 VAL CB C 13 30.586 0.50 . 1 . . . . 165 VAL CB . 17307 1 281 . 1 1 39 39 VAL CG1 C 13 22.135 0.50 . 2 . . . . 165 VAL CG1 . 17307 1 282 . 1 1 39 39 VAL CG2 C 13 23.466 0.50 . 2 . . . . 165 VAL CG2 . 17307 1 283 . 1 1 39 39 VAL N N 15 119.770 0.10 . 1 . . . . 165 VAL N . 17307 1 284 . 1 1 40 40 ASP H H 1 7.368 0.05 . 1 . . . . 166 ASP H . 17307 1 285 . 1 1 40 40 ASP HA H 1 4.327 0.05 . 1 . . . . 166 ASP HA . 17307 1 286 . 1 1 40 40 ASP HB2 H 1 2.730 0.05 . 2 . . . . 166 ASP HB2 . 17307 1 287 . 1 1 40 40 ASP HB3 H 1 2.867 0.05 . 2 . . . . 166 ASP HB3 . 17307 1 288 . 1 1 40 40 ASP C C 13 177.933 0.50 . 1 . . . . 166 ASP C . 17307 1 289 . 1 1 40 40 ASP CA C 13 58.019 0.50 . 1 . . . . 166 ASP CA . 17307 1 290 . 1 1 40 40 ASP CB C 13 41.744 0.50 . 1 . . . . 166 ASP CB . 17307 1 291 . 1 1 40 40 ASP N N 15 118.631 0.10 . 1 . . . . 166 ASP N . 17307 1 292 . 1 1 41 41 ARG H H 1 7.692 0.05 . 1 . . . . 167 ARG H . 17307 1 293 . 1 1 41 41 ARG HA H 1 3.957 0.05 . 1 . . . . 167 ARG HA . 17307 1 294 . 1 1 41 41 ARG HB2 H 1 1.721 0.05 . 2 . . . . 167 ARG HB2 . 17307 1 295 . 1 1 41 41 ARG HB3 H 1 2.025 0.05 . 2 . . . . 167 ARG HB3 . 17307 1 296 . 1 1 41 41 ARG HG2 H 1 1.488 0.05 . 2 . . . . 167 ARG HG2 . 17307 1 297 . 1 1 41 41 ARG HG3 H 1 1.968 0.05 . 2 . . . . 167 ARG HG3 . 17307 1 298 . 1 1 41 41 ARG HD2 H 1 3.218 0.05 . 2 . . . . 167 ARG HD2 . 17307 1 299 . 1 1 41 41 ARG HD3 H 1 3.302 0.05 . 2 . . . . 167 ARG HD3 . 17307 1 300 . 1 1 41 41 ARG HE H 1 9.335 0.05 . 1 . . . . 167 ARG HE . 17307 1 301 . 1 1 41 41 ARG C C 13 179.304 0.50 . 1 . . . . 167 ARG C . 17307 1 302 . 1 1 41 41 ARG CA C 13 60.222 0.50 . 1 . . . . 167 ARG CA . 17307 1 303 . 1 1 41 41 ARG CB C 13 30.583 0.50 . 1 . . . . 167 ARG CB . 17307 1 304 . 1 1 41 41 ARG CG C 13 28.964 0.50 . 1 . . . . 167 ARG CG . 17307 1 305 . 1 1 41 41 ARG CD C 13 43.662 0.50 . 1 . . . . 167 ARG CD . 17307 1 306 . 1 1 41 41 ARG N N 15 117.887 0.10 . 1 . . . . 167 ARG N . 17307 1 307 . 1 1 41 41 ARG NE N 15 110.375 0.10 . 1 . . . . 167 ARG NE . 17307 1 308 . 1 1 42 42 PHE H H 1 8.827 0.05 . 1 . . . . 168 PHE H . 17307 1 309 . 1 1 42 42 PHE HA H 1 3.524 0.05 . 1 . . . . 168 PHE HA . 17307 1 310 . 1 1 42 42 PHE HB2 H 1 2.276 0.05 . 2 . . . . 168 PHE HB2 . 17307 1 311 . 1 1 42 42 PHE HB3 H 1 3.063 0.05 . 2 . . . . 168 PHE HB3 . 17307 1 312 . 1 1 42 42 PHE HD1 H 1 6.835 0.05 . 1 . . . . 168 PHE HD1 . 17307 1 313 . 1 1 42 42 PHE HD2 H 1 6.835 0.05 . 1 . . . . 168 PHE HD2 . 17307 1 314 . 1 1 42 42 PHE HE1 H 1 7.259 0.05 . 1 . . . . 168 PHE HE1 . 17307 1 315 . 1 1 42 42 PHE HE2 H 1 7.259 0.05 . 1 . . . . 168 PHE HE2 . 17307 1 316 . 1 1 42 42 PHE HZ H 1 7.066 0.05 . 1 . . . . 168 PHE HZ . 17307 1 317 . 1 1 42 42 PHE C C 13 176.563 0.50 . 1 . . . . 168 PHE C . 17307 1 318 . 1 1 42 42 PHE CA C 13 62.058 0.50 . 1 . . . . 168 PHE CA . 17307 1 319 . 1 1 42 42 PHE CB C 13 39.765 0.50 . 1 . . . . 168 PHE CB . 17307 1 320 . 1 1 42 42 PHE CD1 C 13 132.043 0.50 . 3 . . . . 168 PHE CD1 . 17307 1 321 . 1 1 42 42 PHE CE1 C 13 131.884 0.50 . 3 . . . . 168 PHE CE1 . 17307 1 322 . 1 1 42 42 PHE CZ C 13 128.642 0.50 . 1 . . . . 168 PHE CZ . 17307 1 323 . 1 1 42 42 PHE N N 15 125.379 0.10 . 1 . . . . 168 PHE N . 17307 1 324 . 1 1 43 43 TYR H H 1 9.333 0.05 . 1 . . . . 169 TYR H . 17307 1 325 . 1 1 43 43 TYR HA H 1 4.119 0.05 . 1 . . . . 169 TYR HA . 17307 1 326 . 1 1 43 43 TYR HB2 H 1 2.996 0.05 . 2 . . . . 169 TYR HB2 . 17307 1 327 . 1 1 43 43 TYR HB3 H 1 3.102 0.05 . 2 . . . . 169 TYR HB3 . 17307 1 328 . 1 1 43 43 TYR HD1 H 1 6.600 0.05 . 1 . . . . 169 TYR HD1 . 17307 1 329 . 1 1 43 43 TYR HD2 H 1 6.600 0.05 . 1 . . . . 169 TYR HD2 . 17307 1 330 . 1 1 43 43 TYR HE1 H 1 6.198 0.05 . 1 . . . . 169 TYR HE1 . 17307 1 331 . 1 1 43 43 TYR HE2 H 1 6.198 0.05 . 1 . . . . 169 TYR HE2 . 17307 1 332 . 1 1 43 43 TYR C C 13 176.648 0.50 . 1 . . . . 169 TYR C . 17307 1 333 . 1 1 43 43 TYR CA C 13 61.210 0.50 . 1 . . . . 169 TYR CA . 17307 1 334 . 1 1 43 43 TYR CB C 13 38.669 0.50 . 1 . . . . 169 TYR CB . 17307 1 335 . 1 1 43 43 TYR CD1 C 13 133.463 0.50 . 3 . . . . 169 TYR CD1 . 17307 1 336 . 1 1 43 43 TYR CE1 C 13 117.170 0.50 . 3 . . . . 169 TYR CE1 . 17307 1 337 . 1 1 43 43 TYR N N 15 118.920 0.10 . 1 . . . . 169 TYR N . 17307 1 338 . 1 1 44 44 LYS H H 1 8.474 0.05 . 1 . . . . 170 LYS H . 17307 1 339 . 1 1 44 44 LYS HA H 1 3.162 0.05 . 1 . . . . 170 LYS HA . 17307 1 340 . 1 1 44 44 LYS HB2 H 1 1.606 0.05 . 2 . . . . 170 LYS HB2 . 17307 1 341 . 1 1 44 44 LYS HB3 H 1 1.717 0.05 . 2 . . . . 170 LYS HB3 . 17307 1 342 . 1 1 44 44 LYS HG2 H 1 1.151 0.05 . 2 . . . . 170 LYS HG2 . 17307 1 343 . 1 1 44 44 LYS HG3 H 1 1.512 0.05 . 2 . . . . 170 LYS HG3 . 17307 1 344 . 1 1 44 44 LYS HD2 H 1 1.462 0.05 . 2 . . . . 170 LYS HD2 . 17307 1 345 . 1 1 44 44 LYS HE2 H 1 2.835 0.05 . 2 . . . . 170 LYS HE2 . 17307 1 346 . 1 1 44 44 LYS HE3 H 1 2.835 0.05 . 2 . . . . 170 LYS HE3 . 17307 1 347 . 1 1 44 44 LYS C C 13 179.797 0.50 . 1 . . . . 170 LYS C . 17307 1 348 . 1 1 44 44 LYS CA C 13 60.036 0.50 . 1 . . . . 170 LYS CA . 17307 1 349 . 1 1 44 44 LYS CB C 13 32.321 0.50 . 1 . . . . 170 LYS CB . 17307 1 350 . 1 1 44 44 LYS CG C 13 26.510 0.50 . 1 . . . . 170 LYS CG . 17307 1 351 . 1 1 44 44 LYS CD C 13 29.394 0.50 . 1 . . . . 170 LYS CD . 17307 1 352 . 1 1 44 44 LYS CE C 13 42.020 0.50 . 1 . . . . 170 LYS CE . 17307 1 353 . 1 1 44 44 LYS N N 15 118.073 0.10 . 1 . . . . 170 LYS N . 17307 1 354 . 1 1 45 45 THR H H 1 7.697 0.05 . 1 . . . . 171 THR H . 17307 1 355 . 1 1 45 45 THR HA H 1 3.688 0.05 . 1 . . . . 171 THR HA . 17307 1 356 . 1 1 45 45 THR HB H 1 3.883 0.05 . 1 . . . . 171 THR HB . 17307 1 357 . 1 1 45 45 THR HG21 H 1 0.812 0.05 . 1 . . . . 171 THR HG2 . 17307 1 358 . 1 1 45 45 THR HG22 H 1 0.812 0.05 . 1 . . . . 171 THR HG2 . 17307 1 359 . 1 1 45 45 THR HG23 H 1 0.812 0.05 . 1 . . . . 171 THR HG2 . 17307 1 360 . 1 1 45 45 THR C C 13 175.920 0.50 . 1 . . . . 171 THR C . 17307 1 361 . 1 1 45 45 THR CA C 13 66.635 0.50 . 1 . . . . 171 THR CA . 17307 1 362 . 1 1 45 45 THR CB C 13 68.111 0.50 . 1 . . . . 171 THR CB . 17307 1 363 . 1 1 45 45 THR CG2 C 13 20.690 0.50 . 1 . . . . 171 THR CG2 . 17307 1 364 . 1 1 45 45 THR N N 15 116.102 0.10 . 1 . . . . 171 THR N . 17307 1 365 . 1 1 46 46 LEU H H 1 8.154 0.05 . 1 . . . . 172 LEU H . 17307 1 366 . 1 1 46 46 LEU HA H 1 3.735 0.05 . 1 . . . . 172 LEU HA . 17307 1 367 . 1 1 46 46 LEU HB2 H 1 1.270 0.05 . 2 . . . . 172 LEU HB2 . 17307 1 368 . 1 1 46 46 LEU HB3 H 1 1.400 0.05 . 2 . . . . 172 LEU HB3 . 17307 1 369 . 1 1 46 46 LEU HG H 1 1.151 0.05 . 1 . . . . 172 LEU HG . 17307 1 370 . 1 1 46 46 LEU HD11 H 1 0.661 0.05 . 2 . . . . 172 LEU HD1 . 17307 1 371 . 1 1 46 46 LEU HD12 H 1 0.661 0.05 . 2 . . . . 172 LEU HD1 . 17307 1 372 . 1 1 46 46 LEU HD13 H 1 0.661 0.05 . 2 . . . . 172 LEU HD1 . 17307 1 373 . 1 1 46 46 LEU HD21 H 1 0.814 0.05 . 2 . . . . 172 LEU HD2 . 17307 1 374 . 1 1 46 46 LEU HD22 H 1 0.814 0.05 . 2 . . . . 172 LEU HD2 . 17307 1 375 . 1 1 46 46 LEU HD23 H 1 0.814 0.05 . 2 . . . . 172 LEU HD2 . 17307 1 376 . 1 1 46 46 LEU C C 13 179.489 0.50 . 1 . . . . 172 LEU C . 17307 1 377 . 1 1 46 46 LEU CA C 13 56.978 0.50 . 1 . . . . 172 LEU CA . 17307 1 378 . 1 1 46 46 LEU CB C 13 42.230 0.50 . 1 . . . . 172 LEU CB . 17307 1 379 . 1 1 46 46 LEU CG C 13 26.510 0.50 . 1 . . . . 172 LEU CG . 17307 1 380 . 1 1 46 46 LEU CD1 C 13 24.984 0.50 . 2 . . . . 172 LEU CD1 . 17307 1 381 . 1 1 46 46 LEU CD2 C 13 27.012 0.50 . 2 . . . . 172 LEU CD2 . 17307 1 382 . 1 1 46 46 LEU N N 15 121.910 0.10 . 1 . . . . 172 LEU N . 17307 1 383 . 1 1 47 47 ARG H H 1 8.907 0.05 . 1 . . . . 173 ARG H . 17307 1 384 . 1 1 47 47 ARG HA H 1 3.699 0.05 . 1 . . . . 173 ARG HA . 17307 1 385 . 1 1 47 47 ARG HB2 H 1 1.450 0.05 . 2 . . . . 173 ARG HB2 . 17307 1 386 . 1 1 47 47 ARG HB3 H 1 1.450 0.05 . 2 . . . . 173 ARG HB3 . 17307 1 387 . 1 1 47 47 ARG HG2 H 1 1.396 0.05 . 2 . . . . 173 ARG HG2 . 17307 1 388 . 1 1 47 47 ARG HG3 H 1 1.395 0.05 . 2 . . . . 173 ARG HG3 . 17307 1 389 . 1 1 47 47 ARG HD2 H 1 2.632 0.05 . 2 . . . . 173 ARG HD2 . 17307 1 390 . 1 1 47 47 ARG HD3 H 1 2.907 0.05 . 2 . . . . 173 ARG HD3 . 17307 1 391 . 1 1 47 47 ARG C C 13 176.263 0.50 . 1 . . . . 173 ARG C . 17307 1 392 . 1 1 47 47 ARG CA C 13 59.510 0.50 . 1 . . . . 173 ARG CA . 17307 1 393 . 1 1 47 47 ARG CB C 13 29.459 0.50 . 1 . . . . 173 ARG CB . 17307 1 394 . 1 1 47 47 ARG CG C 13 26.675 0.50 . 1 . . . . 173 ARG CG . 17307 1 395 . 1 1 47 47 ARG CD C 13 43.270 0.50 . 1 . . . . 173 ARG CD . 17307 1 396 . 1 1 47 47 ARG N N 15 119.050 0.10 . 1 . . . . 173 ARG N . 17307 1 397 . 1 1 48 48 ALA H H 1 6.717 0.05 . 1 . . . . 174 ALA H . 17307 1 398 . 1 1 48 48 ALA HA H 1 4.087 0.05 . 1 . . . . 174 ALA HA . 17307 1 399 . 1 1 48 48 ALA HB1 H 1 1.334 0.05 . 1 . . . . 174 ALA HB . 17307 1 400 . 1 1 48 48 ALA HB2 H 1 1.334 0.05 . 1 . . . . 174 ALA HB . 17307 1 401 . 1 1 48 48 ALA HB3 H 1 1.334 0.05 . 1 . . . . 174 ALA HB . 17307 1 402 . 1 1 48 48 ALA C C 13 177.698 0.50 . 1 . . . . 174 ALA C . 17307 1 403 . 1 1 48 48 ALA CA C 13 52.911 0.50 . 1 . . . . 174 ALA CA . 17307 1 404 . 1 1 48 48 ALA CB C 13 19.303 0.50 . 1 . . . . 174 ALA CB . 17307 1 405 . 1 1 48 48 ALA N N 15 118.213 0.10 . 1 . . . . 174 ALA N . 17307 1 406 . 1 1 49 49 GLU H H 1 6.965 0.05 . 1 . . . . 175 GLU H . 17307 1 407 . 1 1 49 49 GLU HA H 1 4.016 0.05 . 1 . . . . 175 GLU HA . 17307 1 408 . 1 1 49 49 GLU HB2 H 1 1.743 0.05 . 2 . . . . 175 GLU HB2 . 17307 1 409 . 1 1 49 49 GLU HB3 H 1 1.853 0.05 . 2 . . . . 175 GLU HB3 . 17307 1 410 . 1 1 49 49 GLU HG2 H 1 2.061 0.05 . 2 . . . . 175 GLU HG2 . 17307 1 411 . 1 1 49 49 GLU HG3 H 1 2.165 0.05 . 2 . . . . 175 GLU HG3 . 17307 1 412 . 1 1 49 49 GLU C C 13 176.413 0.50 . 1 . . . . 175 GLU C . 17307 1 413 . 1 1 49 49 GLU CA C 13 56.696 0.50 . 1 . . . . 175 GLU CA . 17307 1 414 . 1 1 49 49 GLU CB C 13 30.315 0.50 . 1 . . . . 175 GLU CB . 17307 1 415 . 1 1 49 49 GLU CG C 13 35.900 0.50 . 1 . . . . 175 GLU CG . 17307 1 416 . 1 1 49 49 GLU N N 15 118.654 0.10 . 1 . . . . 175 GLU N . 17307 1 417 . 1 1 50 50 GLN H H 1 8.676 0.05 . 1 . . . . 176 GLN H . 17307 1 418 . 1 1 50 50 GLN HA H 1 4.287 0.05 . 1 . . . . 176 GLN HA . 17307 1 419 . 1 1 50 50 GLN HB2 H 1 1.896 0.05 . 2 . . . . 176 GLN HB2 . 17307 1 420 . 1 1 50 50 GLN HB3 H 1 1.969 0.05 . 2 . . . . 176 GLN HB3 . 17307 1 421 . 1 1 50 50 GLN HG2 H 1 2.260 0.05 . 2 . . . . 176 GLN HG2 . 17307 1 422 . 1 1 50 50 GLN HG3 H 1 2.225 0.05 . 2 . . . . 176 GLN HG3 . 17307 1 423 . 1 1 50 50 GLN HE21 H 1 6.749 0.05 . 2 . . . . 176 GLN HE21 . 17307 1 424 . 1 1 50 50 GLN HE22 H 1 7.371 0.05 . 2 . . . . 176 GLN HE22 . 17307 1 425 . 1 1 50 50 GLN C C 13 173.950 0.50 . 1 . . . . 176 GLN C . 17307 1 426 . 1 1 50 50 GLN CA C 13 54.959 0.50 . 1 . . . . 176 GLN CA . 17307 1 427 . 1 1 50 50 GLN CB C 13 27.075 0.50 . 1 . . . . 176 GLN CB . 17307 1 428 . 1 1 50 50 GLN CG C 13 33.621 0.50 . 1 . . . . 176 GLN CG . 17307 1 429 . 1 1 50 50 GLN N N 15 124.161 0.10 . 1 . . . . 176 GLN N . 17307 1 430 . 1 1 50 50 GLN NE2 N 15 112.537 0.10 . 1 . . . . 176 GLN NE2 . 17307 1 431 . 1 1 51 51 ALA H H 1 7.438 0.05 . 1 . . . . 177 ALA H . 17307 1 432 . 1 1 51 51 ALA HA H 1 4.422 0.05 . 1 . . . . 177 ALA HA . 17307 1 433 . 1 1 51 51 ALA HB1 H 1 1.153 0.05 . 1 . . . . 177 ALA HB . 17307 1 434 . 1 1 51 51 ALA HB2 H 1 1.153 0.05 . 1 . . . . 177 ALA HB . 17307 1 435 . 1 1 51 51 ALA HB3 H 1 1.153 0.05 . 1 . . . . 177 ALA HB . 17307 1 436 . 1 1 51 51 ALA C C 13 175.449 0.50 . 1 . . . . 177 ALA C . 17307 1 437 . 1 1 51 51 ALA CA C 13 50.877 0.50 . 1 . . . . 177 ALA CA . 17307 1 438 . 1 1 51 51 ALA CB C 13 21.933 0.50 . 1 . . . . 177 ALA CB . 17307 1 439 . 1 1 51 51 ALA N N 15 125.232 0.10 . 1 . . . . 177 ALA N . 17307 1 440 . 1 1 52 52 SER H H 1 8.499 0.05 . 1 . . . . 178 SER H . 17307 1 441 . 1 1 52 52 SER HA H 1 4.303 0.05 . 1 . . . . 178 SER HA . 17307 1 442 . 1 1 52 52 SER HB2 H 1 3.981 0.05 . 2 . . . . 178 SER HB2 . 17307 1 443 . 1 1 52 52 SER HB3 H 1 4.329 0.05 . 2 . . . . 178 SER HB3 . 17307 1 444 . 1 1 52 52 SER C C 13 174.607 0.50 . 1 . . . . 178 SER C . 17307 1 445 . 1 1 52 52 SER CA C 13 57.433 0.50 . 1 . . . . 178 SER CA . 17307 1 446 . 1 1 52 52 SER CB C 13 64.863 0.50 . 1 . . . . 178 SER CB . 17307 1 447 . 1 1 52 52 SER N N 15 115.865 0.10 . 1 . . . . 178 SER N . 17307 1 448 . 1 1 53 53 GLN H H 1 9.036 0.05 . 1 . . . . 179 GLN H . 17307 1 449 . 1 1 53 53 GLN HA H 1 3.712 0.05 . 1 . . . . 179 GLN HA . 17307 1 450 . 1 1 53 53 GLN HB2 H 1 2.061 0.05 . 2 . . . . 179 GLN HB2 . 17307 1 451 . 1 1 53 53 GLN HB3 H 1 2.171 0.05 . 2 . . . . 179 GLN HB3 . 17307 1 452 . 1 1 53 53 GLN HG2 H 1 2.446 0.05 . 2 . . . . 179 GLN HG2 . 17307 1 453 . 1 1 53 53 GLN HG3 H 1 2.469 0.05 . 2 . . . . 179 GLN HG3 . 17307 1 454 . 1 1 53 53 GLN HE21 H 1 6.538 0.05 . 2 . . . . 179 GLN HE21 . 17307 1 455 . 1 1 53 53 GLN HE22 H 1 7.756 0.05 . 2 . . . . 179 GLN HE22 . 17307 1 456 . 1 1 53 53 GLN C C 13 177.848 0.50 . 1 . . . . 179 GLN C . 17307 1 457 . 1 1 53 53 GLN CA C 13 59.756 0.50 . 1 . . . . 179 GLN CA . 17307 1 458 . 1 1 53 53 GLN CB C 13 28.542 0.50 . 1 . . . . 179 GLN CB . 17307 1 459 . 1 1 53 53 GLN CG C 13 34.124 0.50 . 1 . . . . 179 GLN CG . 17307 1 460 . 1 1 53 53 GLN N N 15 121.381 0.10 . 1 . . . . 179 GLN N . 17307 1 461 . 1 1 53 53 GLN NE2 N 15 111.339 0.10 . 1 . . . . 179 GLN NE2 . 17307 1 462 . 1 1 54 54 GLU H H 1 8.859 0.05 . 1 . . . . 180 GLU H . 17307 1 463 . 1 1 54 54 GLU HA H 1 4.081 0.05 . 1 . . . . 180 GLU HA . 17307 1 464 . 1 1 54 54 GLU HB2 H 1 1.944 0.05 . 2 . . . . 180 GLU HB2 . 17307 1 465 . 1 1 54 54 GLU HB3 H 1 2.062 0.05 . 2 . . . . 180 GLU HB3 . 17307 1 466 . 1 1 54 54 GLU HG2 H 1 2.277 0.05 . 2 . . . . 180 GLU HG2 . 17307 1 467 . 1 1 54 54 GLU HG3 H 1 2.392 0.05 . 2 . . . . 180 GLU HG3 . 17307 1 468 . 1 1 54 54 GLU C C 13 179.732 0.50 . 1 . . . . 180 GLU C . 17307 1 469 . 1 1 54 54 GLU CA C 13 60.527 0.50 . 1 . . . . 180 GLU CA . 17307 1 470 . 1 1 54 54 GLU CB C 13 29.030 0.50 . 1 . . . . 180 GLU CB . 17307 1 471 . 1 1 54 54 GLU CG C 13 36.892 0.50 . 1 . . . . 180 GLU CG . 17307 1 472 . 1 1 54 54 GLU N N 15 118.202 0.10 . 1 . . . . 180 GLU N . 17307 1 473 . 1 1 55 55 VAL H H 1 7.488 0.05 . 1 . . . . 181 VAL H . 17307 1 474 . 1 1 55 55 VAL HA H 1 3.670 0.05 . 1 . . . . 181 VAL HA . 17307 1 475 . 1 1 55 55 VAL HB H 1 2.078 0.05 . 1 . . . . 181 VAL HB . 17307 1 476 . 1 1 55 55 VAL HG11 H 1 0.779 0.05 . 2 . . . . 181 VAL HG1 . 17307 1 477 . 1 1 55 55 VAL HG12 H 1 0.779 0.05 . 2 . . . . 181 VAL HG1 . 17307 1 478 . 1 1 55 55 VAL HG13 H 1 0.779 0.05 . 2 . . . . 181 VAL HG1 . 17307 1 479 . 1 1 55 55 VAL HG21 H 1 0.936 0.05 . 2 . . . . 181 VAL HG2 . 17307 1 480 . 1 1 55 55 VAL HG22 H 1 0.936 0.05 . 2 . . . . 181 VAL HG2 . 17307 1 481 . 1 1 55 55 VAL HG23 H 1 0.936 0.05 . 2 . . . . 181 VAL HG2 . 17307 1 482 . 1 1 55 55 VAL C C 13 178.897 0.50 . 1 . . . . 181 VAL C . 17307 1 483 . 1 1 55 55 VAL CA C 13 66.241 0.50 . 1 . . . . 181 VAL CA . 17307 1 484 . 1 1 55 55 VAL CB C 13 31.311 0.50 . 1 . . . . 181 VAL CB . 17307 1 485 . 1 1 55 55 VAL CG1 C 13 21.138 0.50 . 2 . . . . 181 VAL CG1 . 17307 1 486 . 1 1 55 55 VAL CG2 C 13 23.456 0.50 . 2 . . . . 181 VAL CG2 . 17307 1 487 . 1 1 55 55 VAL N N 15 122.732 0.10 . 1 . . . . 181 VAL N . 17307 1 488 . 1 1 56 56 LYS H H 1 8.043 0.05 . 1 . . . . 182 LYS H . 17307 1 489 . 1 1 56 56 LYS HA H 1 3.718 0.05 . 1 . . . . 182 LYS HA . 17307 1 490 . 1 1 56 56 LYS HB2 H 1 0.851 0.05 . 2 . . . . 182 LYS HB2 . 17307 1 491 . 1 1 56 56 LYS HB3 H 1 1.429 0.05 . 2 . . . . 182 LYS HB3 . 17307 1 492 . 1 1 56 56 LYS HG2 H 1 0.486 0.05 . 2 . . . . 182 LYS HG2 . 17307 1 493 . 1 1 56 56 LYS HG3 H 1 1.396 0.05 . 2 . . . . 182 LYS HG3 . 17307 1 494 . 1 1 56 56 LYS HD2 H 1 0.285 0.05 . 2 . . . . 182 LYS HD2 . 17307 1 495 . 1 1 56 56 LYS HD3 H 1 0.844 0.05 . 2 . . . . 182 LYS HD3 . 17307 1 496 . 1 1 56 56 LYS HE2 H 1 2.385 0.05 . 2 . . . . 182 LYS HE2 . 17307 1 497 . 1 1 56 56 LYS HE3 H 1 2.841 0.05 . 2 . . . . 182 LYS HE3 . 17307 1 498 . 1 1 56 56 LYS C C 13 179.690 0.50 . 1 . . . . 182 LYS C . 17307 1 499 . 1 1 56 56 LYS CA C 13 61.036 0.50 . 1 . . . . 182 LYS CA . 17307 1 500 . 1 1 56 56 LYS CB C 13 32.066 0.50 . 1 . . . . 182 LYS CB . 17307 1 501 . 1 1 56 56 LYS CG C 13 27.051 0.50 . 1 . . . . 182 LYS CG . 17307 1 502 . 1 1 56 56 LYS CD C 13 29.553 0.50 . 1 . . . . 182 LYS CD . 17307 1 503 . 1 1 56 56 LYS CE C 13 42.803 0.50 . 1 . . . . 182 LYS CE . 17307 1 504 . 1 1 56 56 LYS N N 15 120.099 0.10 . 1 . . . . 182 LYS N . 17307 1 505 . 1 1 57 57 ASN H H 1 9.126 0.05 . 1 . . . . 183 ASN H . 17307 1 506 . 1 1 57 57 ASN HA H 1 4.545 0.05 . 1 . . . . 183 ASN HA . 17307 1 507 . 1 1 57 57 ASN HB2 H 1 3.000 0.05 . 2 . . . . 183 ASN HB2 . 17307 1 508 . 1 1 57 57 ASN HB3 H 1 3.143 0.05 . 2 . . . . 183 ASN HB3 . 17307 1 509 . 1 1 57 57 ASN HD21 H 1 7.100 0.05 . 2 . . . . 183 ASN HD21 . 17307 1 510 . 1 1 57 57 ASN HD22 H 1 7.863 0.05 . 2 . . . . 183 ASN HD22 . 17307 1 511 . 1 1 57 57 ASN C C 13 176.391 0.50 . 1 . . . . 183 ASN C . 17307 1 512 . 1 1 57 57 ASN CA C 13 57.089 0.50 . 1 . . . . 183 ASN CA . 17307 1 513 . 1 1 57 57 ASN CB C 13 37.710 0.50 . 1 . . . . 183 ASN CB . 17307 1 514 . 1 1 57 57 ASN N N 15 121.279 0.10 . 1 . . . . 183 ASN N . 17307 1 515 . 1 1 57 57 ASN ND2 N 15 111.822 0.10 . 1 . . . . 183 ASN ND2 . 17307 1 516 . 1 1 58 58 ALA H H 1 7.874 0.05 . 1 . . . . 184 ALA H . 17307 1 517 . 1 1 58 58 ALA HA H 1 4.274 0.05 . 1 . . . . 184 ALA HA . 17307 1 518 . 1 1 58 58 ALA HB1 H 1 1.484 0.05 . 1 . . . . 184 ALA HB . 17307 1 519 . 1 1 58 58 ALA HB2 H 1 1.484 0.05 . 1 . . . . 184 ALA HB . 17307 1 520 . 1 1 58 58 ALA HB3 H 1 1.484 0.05 . 1 . . . . 184 ALA HB . 17307 1 521 . 1 1 58 58 ALA C C 13 180.546 0.50 . 1 . . . . 184 ALA C . 17307 1 522 . 1 1 58 58 ALA CA C 13 55.333 0.50 . 1 . . . . 184 ALA CA . 17307 1 523 . 1 1 58 58 ALA CB C 13 17.881 0.50 . 1 . . . . 184 ALA CB . 17307 1 524 . 1 1 58 58 ALA N N 15 123.274 0.10 . 1 . . . . 184 ALA N . 17307 1 525 . 1 1 59 59 ALA H H 1 8.301 0.05 . 1 . . . . 185 ALA H . 17307 1 526 . 1 1 59 59 ALA HA H 1 4.084 0.05 . 1 . . . . 185 ALA HA . 17307 1 527 . 1 1 59 59 ALA HB1 H 1 1.421 0.05 . 1 . . . . 185 ALA HB . 17307 1 528 . 1 1 59 59 ALA HB2 H 1 1.421 0.05 . 1 . . . . 185 ALA HB . 17307 1 529 . 1 1 59 59 ALA HB3 H 1 1.421 0.05 . 1 . . . . 185 ALA HB . 17307 1 530 . 1 1 59 59 ALA C C 13 179.497 0.50 . 1 . . . . 185 ALA C . 17307 1 531 . 1 1 59 59 ALA CA C 13 54.983 0.50 . 1 . . . . 185 ALA CA . 17307 1 532 . 1 1 59 59 ALA CB C 13 18.389 0.50 . 1 . . . . 185 ALA CB . 17307 1 533 . 1 1 59 59 ALA N N 15 120.391 0.10 . 1 . . . . 185 ALA N . 17307 1 534 . 1 1 60 60 THR H H 1 8.006 0.05 . 1 . . . . 186 THR H . 17307 1 535 . 1 1 60 60 THR HA H 1 4.299 0.05 . 1 . . . . 186 THR HA . 17307 1 536 . 1 1 60 60 THR HB H 1 3.971 0.05 . 1 . . . . 186 THR HB . 17307 1 537 . 1 1 60 60 THR HG21 H 1 0.999 0.05 . 1 . . . . 186 THR HG2 . 17307 1 538 . 1 1 60 60 THR HG22 H 1 0.999 0.05 . 1 . . . . 186 THR HG2 . 17307 1 539 . 1 1 60 60 THR HG23 H 1 0.999 0.05 . 1 . . . . 186 THR HG2 . 17307 1 540 . 1 1 60 60 THR C C 13 175.941 0.50 . 1 . . . . 186 THR C . 17307 1 541 . 1 1 60 60 THR CA C 13 69.162 0.50 . 1 . . . . 186 THR CA . 17307 1 542 . 1 1 60 60 THR CB C 13 68.652 0.50 . 1 . . . . 186 THR CB . 17307 1 543 . 1 1 60 60 THR CG2 C 13 21.936 0.50 . 1 . . . . 186 THR CG2 . 17307 1 544 . 1 1 60 60 THR N N 15 115.081 0.10 . 1 . . . . 186 THR N . 17307 1 545 . 1 1 61 61 GLU H H 1 8.356 0.05 . 1 . . . . 187 GLU H . 17307 1 546 . 1 1 61 61 GLU HA H 1 4.271 0.05 . 1 . . . . 187 GLU HA . 17307 1 547 . 1 1 61 61 GLU HB2 H 1 2.049 0.05 . 2 . . . . 187 GLU HB2 . 17307 1 548 . 1 1 61 61 GLU HB3 H 1 2.211 0.05 . 2 . . . . 187 GLU HB3 . 17307 1 549 . 1 1 61 61 GLU HG2 H 1 2.346 0.05 . 2 . . . . 187 GLU HG2 . 17307 1 550 . 1 1 61 61 GLU HG3 H 1 2.400 0.05 . 2 . . . . 187 GLU HG3 . 17307 1 551 . 1 1 61 61 GLU C C 13 178.362 0.50 . 1 . . . . 187 GLU C . 17307 1 552 . 1 1 61 61 GLU CA C 13 59.380 0.50 . 1 . . . . 187 GLU CA . 17307 1 553 . 1 1 61 61 GLU CB C 13 30.581 0.50 . 1 . . . . 187 GLU CB . 17307 1 554 . 1 1 61 61 GLU CG C 13 36.665 0.50 . 1 . . . . 187 GLU CG . 17307 1 555 . 1 1 61 61 GLU N N 15 120.496 0.10 . 1 . . . . 187 GLU N . 17307 1 556 . 1 1 62 62 THR H H 1 7.735 0.05 . 1 . . . . 188 THR H . 17307 1 557 . 1 1 62 62 THR HA H 1 4.333 0.05 . 1 . . . . 188 THR HA . 17307 1 558 . 1 1 62 62 THR HB H 1 4.056 0.05 . 1 . . . . 188 THR HB . 17307 1 559 . 1 1 62 62 THR HG21 H 1 1.191 0.05 . 1 . . . . 188 THR HG2 . 17307 1 560 . 1 1 62 62 THR HG22 H 1 1.191 0.05 . 1 . . . . 188 THR HG2 . 17307 1 561 . 1 1 62 62 THR HG23 H 1 1.191 0.05 . 1 . . . . 188 THR HG2 . 17307 1 562 . 1 1 62 62 THR C C 13 176.177 0.50 . 1 . . . . 188 THR C . 17307 1 563 . 1 1 62 62 THR CA C 13 64.175 0.50 . 1 . . . . 188 THR CA . 17307 1 564 . 1 1 62 62 THR CB C 13 70.594 0.50 . 1 . . . . 188 THR CB . 17307 1 565 . 1 1 62 62 THR CG2 C 13 21.930 0.50 . 1 . . . . 188 THR CG2 . 17307 1 566 . 1 1 62 62 THR N N 15 109.398 0.10 . 1 . . . . 188 THR N . 17307 1 567 . 1 1 63 63 LEU H H 1 8.307 0.05 . 1 . . . . 189 LEU H . 17307 1 568 . 1 1 63 63 LEU HA H 1 4.307 0.05 . 1 . . . . 189 LEU HA . 17307 1 569 . 1 1 63 63 LEU HB2 H 1 1.769 0.05 . 2 . . . . 189 LEU HB2 . 17307 1 570 . 1 1 63 63 LEU HB3 H 1 2.219 0.05 . 2 . . . . 189 LEU HB3 . 17307 1 571 . 1 1 63 63 LEU HG H 1 1.861 0.05 . 1 . . . . 189 LEU HG . 17307 1 572 . 1 1 63 63 LEU HD11 H 1 0.803 0.05 . 2 . . . . 189 LEU HD1 . 17307 1 573 . 1 1 63 63 LEU HD12 H 1 0.803 0.05 . 2 . . . . 189 LEU HD1 . 17307 1 574 . 1 1 63 63 LEU HD13 H 1 0.803 0.05 . 2 . . . . 189 LEU HD1 . 17307 1 575 . 1 1 63 63 LEU HD21 H 1 0.811 0.05 . 2 . . . . 189 LEU HD2 . 17307 1 576 . 1 1 63 63 LEU HD22 H 1 0.811 0.05 . 2 . . . . 189 LEU HD2 . 17307 1 577 . 1 1 63 63 LEU HD23 H 1 0.811 0.05 . 2 . . . . 189 LEU HD2 . 17307 1 578 . 1 1 63 63 LEU C C 13 177.505 0.50 . 1 . . . . 189 LEU C . 17307 1 579 . 1 1 63 63 LEU CA C 13 57.442 0.50 . 1 . . . . 189 LEU CA . 17307 1 580 . 1 1 63 63 LEU CB C 13 42.758 0.50 . 1 . . . . 189 LEU CB . 17307 1 581 . 1 1 63 63 LEU CD1 C 13 22.246 0.50 . 2 . . . . 189 LEU CD1 . 17307 1 582 . 1 1 63 63 LEU CD2 C 13 27.002 0.50 . 2 . . . . 189 LEU CD2 . 17307 1 583 . 1 1 63 63 LEU N N 15 119.343 0.10 . 1 . . . . 189 LEU N . 17307 1 584 . 1 1 64 64 LEU H H 1 7.154 0.05 . 1 . . . . 190 LEU H . 17307 1 585 . 1 1 64 64 LEU HA H 1 3.457 0.05 . 1 . . . . 190 LEU HA . 17307 1 586 . 1 1 64 64 LEU HB2 H 1 0.741 0.05 . 2 . . . . 190 LEU HB2 . 17307 1 587 . 1 1 64 64 LEU HB3 H 1 1.580 0.05 . 2 . . . . 190 LEU HB3 . 17307 1 588 . 1 1 64 64 LEU HG H 1 0.973 0.05 . 1 . . . . 190 LEU HG . 17307 1 589 . 1 1 64 64 LEU HD11 H 1 -0.113 0.05 . 2 . . . . 190 LEU HD1 . 17307 1 590 . 1 1 64 64 LEU HD12 H 1 -0.113 0.05 . 2 . . . . 190 LEU HD1 . 17307 1 591 . 1 1 64 64 LEU HD13 H 1 -0.113 0.05 . 2 . . . . 190 LEU HD1 . 17307 1 592 . 1 1 64 64 LEU HD21 H 1 0.503 0.05 . 2 . . . . 190 LEU HD2 . 17307 1 593 . 1 1 64 64 LEU HD22 H 1 0.503 0.05 . 2 . . . . 190 LEU HD2 . 17307 1 594 . 1 1 64 64 LEU HD23 H 1 0.503 0.05 . 2 . . . . 190 LEU HD2 . 17307 1 595 . 1 1 64 64 LEU C C 13 179.668 0.50 . 1 . . . . 190 LEU C . 17307 1 596 . 1 1 64 64 LEU CA C 13 59.519 0.50 . 1 . . . . 190 LEU CA . 17307 1 597 . 1 1 64 64 LEU CB C 13 41.431 0.50 . 1 . . . . 190 LEU CB . 17307 1 598 . 1 1 64 64 LEU CG C 13 27.016 0.50 . 1 . . . . 190 LEU CG . 17307 1 599 . 1 1 64 64 LEU CD1 C 13 23.960 0.50 . 2 . . . . 190 LEU CD1 . 17307 1 600 . 1 1 64 64 LEU CD2 C 13 25.494 0.50 . 2 . . . . 190 LEU CD2 . 17307 1 601 . 1 1 64 64 LEU N N 15 119.351 0.10 . 1 . . . . 190 LEU N . 17307 1 602 . 1 1 65 65 VAL H H 1 8.198 0.05 . 1 . . . . 191 VAL H . 17307 1 603 . 1 1 65 65 VAL HA H 1 3.600 0.05 . 1 . . . . 191 VAL HA . 17307 1 604 . 1 1 65 65 VAL HB H 1 1.888 0.05 . 1 . . . . 191 VAL HB . 17307 1 605 . 1 1 65 65 VAL HG11 H 1 0.787 0.05 . 2 . . . . 191 VAL HG1 . 17307 1 606 . 1 1 65 65 VAL HG12 H 1 0.787 0.05 . 2 . . . . 191 VAL HG1 . 17307 1 607 . 1 1 65 65 VAL HG13 H 1 0.787 0.05 . 2 . . . . 191 VAL HG1 . 17307 1 608 . 1 1 65 65 VAL HG21 H 1 0.885 0.05 . 2 . . . . 191 VAL HG2 . 17307 1 609 . 1 1 65 65 VAL HG22 H 1 0.885 0.05 . 2 . . . . 191 VAL HG2 . 17307 1 610 . 1 1 65 65 VAL HG23 H 1 0.885 0.05 . 2 . . . . 191 VAL HG2 . 17307 1 611 . 1 1 65 65 VAL C C 13 177.226 0.50 . 1 . . . . 191 VAL C . 17307 1 612 . 1 1 65 65 VAL CA C 13 65.834 0.50 . 1 . . . . 191 VAL CA . 17307 1 613 . 1 1 65 65 VAL CB C 13 31.597 0.50 . 1 . . . . 191 VAL CB . 17307 1 614 . 1 1 65 65 VAL CG1 C 13 21.455 0.50 . 2 . . . . 191 VAL CG1 . 17307 1 615 . 1 1 65 65 VAL CG2 C 13 22.686 0.50 . 2 . . . . 191 VAL CG2 . 17307 1 616 . 1 1 65 65 VAL N N 15 116.234 0.10 . 1 . . . . 191 VAL N . 17307 1 617 . 1 1 66 66 GLN H H 1 7.483 0.05 . 1 . . . . 192 GLN H . 17307 1 618 . 1 1 66 66 GLN HA H 1 3.786 0.05 . 1 . . . . 192 GLN HA . 17307 1 619 . 1 1 66 66 GLN HB2 H 1 1.942 0.05 . 2 . . . . 192 GLN HB2 . 17307 1 620 . 1 1 66 66 GLN HB3 H 1 2.152 0.05 . 2 . . . . 192 GLN HB3 . 17307 1 621 . 1 1 66 66 GLN HG2 H 1 2.333 0.05 . 2 . . . . 192 GLN HG2 . 17307 1 622 . 1 1 66 66 GLN HG3 H 1 2.433 0.05 . 2 . . . . 192 GLN HG3 . 17307 1 623 . 1 1 66 66 GLN HE21 H 1 6.778 0.05 . 2 . . . . 192 GLN HE21 . 17307 1 624 . 1 1 66 66 GLN HE22 H 1 7.476 0.05 . 2 . . . . 192 GLN HE22 . 17307 1 625 . 1 1 66 66 GLN C C 13 177.141 0.50 . 1 . . . . 192 GLN C . 17307 1 626 . 1 1 66 66 GLN CA C 13 59.346 0.50 . 1 . . . . 192 GLN CA . 17307 1 627 . 1 1 66 66 GLN CB C 13 29.525 0.50 . 1 . . . . 192 GLN CB . 17307 1 628 . 1 1 66 66 GLN CG C 13 34.122 0.50 . 1 . . . . 192 GLN CG . 17307 1 629 . 1 1 66 66 GLN N N 15 117.020 0.10 . 1 . . . . 192 GLN N . 17307 1 630 . 1 1 66 66 GLN NE2 N 15 111.411 0.10 . 1 . . . . 192 GLN NE2 . 17307 1 631 . 1 1 67 67 ASN H H 1 8.148 0.05 . 1 . . . . 193 ASN H . 17307 1 632 . 1 1 67 67 ASN HA H 1 4.890 0.05 . 1 . . . . 193 ASN HA . 17307 1 633 . 1 1 67 67 ASN HB2 H 1 3.510 0.05 . 2 . . . . 193 ASN HB2 . 17307 1 634 . 1 1 67 67 ASN HB3 H 1 3.515 0.05 . 2 . . . . 193 ASN HB3 . 17307 1 635 . 1 1 67 67 ASN HD21 H 1 6.437 0.05 . 2 . . . . 193 ASN HD21 . 17307 1 636 . 1 1 67 67 ASN HD22 H 1 7.963 0.05 . 2 . . . . 193 ASN HD22 . 17307 1 637 . 1 1 67 67 ASN C C 13 175.299 0.50 . 1 . . . . 193 ASN C . 17307 1 638 . 1 1 67 67 ASN CA C 13 52.858 0.50 . 1 . . . . 193 ASN CA . 17307 1 639 . 1 1 67 67 ASN CB C 13 37.686 0.50 . 1 . . . . 193 ASN CB . 17307 1 640 . 1 1 67 67 ASN N N 15 114.759 0.10 . 1 . . . . 193 ASN N . 17307 1 641 . 1 1 67 67 ASN ND2 N 15 109.661 0.10 . 1 . . . . 193 ASN ND2 . 17307 1 642 . 1 1 68 68 ALA H H 1 7.246 0.05 . 1 . . . . 194 ALA H . 17307 1 643 . 1 1 68 68 ALA HA H 1 4.175 0.05 . 1 . . . . 194 ALA HA . 17307 1 644 . 1 1 68 68 ALA HB1 H 1 1.522 0.05 . 1 . . . . 194 ALA HB . 17307 1 645 . 1 1 68 68 ALA HB2 H 1 1.522 0.05 . 1 . . . . 194 ALA HB . 17307 1 646 . 1 1 68 68 ALA HB3 H 1 1.522 0.05 . 1 . . . . 194 ALA HB . 17307 1 647 . 1 1 68 68 ALA C C 13 175.513 0.50 . 1 . . . . 194 ALA C . 17307 1 648 . 1 1 68 68 ALA CA C 13 51.899 0.50 . 1 . . . . 194 ALA CA . 17307 1 649 . 1 1 68 68 ALA CB C 13 18.885 0.50 . 1 . . . . 194 ALA CB . 17307 1 650 . 1 1 68 68 ALA N N 15 124.657 0.10 . 1 . . . . 194 ALA N . 17307 1 651 . 1 1 69 69 ASN H H 1 9.040 0.05 . 1 . . . . 195 ASN H . 17307 1 652 . 1 1 69 69 ASN HA H 1 4.544 0.05 . 1 . . . . 195 ASN HA . 17307 1 653 . 1 1 69 69 ASN HB2 H 1 2.202 0.05 . 2 . . . . 195 ASN HB2 . 17307 1 654 . 1 1 69 69 ASN HB3 H 1 3.161 0.05 . 2 . . . . 195 ASN HB3 . 17307 1 655 . 1 1 69 69 ASN HD21 H 1 6.938 0.05 . 2 . . . . 195 ASN HD21 . 17307 1 656 . 1 1 69 69 ASN HD22 H 1 7.543 0.05 . 2 . . . . 195 ASN HD22 . 17307 1 657 . 1 1 69 69 ASN C C 13 172.686 0.50 . 1 . . . . 195 ASN C . 17307 1 658 . 1 1 69 69 ASN CA C 13 51.456 0.50 . 1 . . . . 195 ASN CA . 17307 1 659 . 1 1 69 69 ASN CB C 13 35.636 0.50 . 1 . . . . 195 ASN CB . 17307 1 660 . 1 1 69 69 ASN N N 15 119.360 0.10 . 1 . . . . 195 ASN N . 17307 1 661 . 1 1 69 69 ASN ND2 N 15 111.454 0.10 . 1 . . . . 195 ASN ND2 . 17307 1 662 . 1 1 70 70 PRO HA H 1 4.042 0.05 . 1 . . . . 196 PRO HA . 17307 1 663 . 1 1 70 70 PRO HB2 H 1 1.793 0.05 . 2 . . . . 196 PRO HB2 . 17307 1 664 . 1 1 70 70 PRO HB3 H 1 2.324 0.05 . 2 . . . . 196 PRO HB3 . 17307 1 665 . 1 1 70 70 PRO HG2 H 1 1.927 0.05 . 2 . . . . 196 PRO HG2 . 17307 1 666 . 1 1 70 70 PRO HG3 H 1 2.109 0.05 . 2 . . . . 196 PRO HG3 . 17307 1 667 . 1 1 70 70 PRO HD2 H 1 3.749 0.05 . 2 . . . . 196 PRO HD2 . 17307 1 668 . 1 1 70 70 PRO HD3 H 1 3.811 0.05 . 2 . . . . 196 PRO HD3 . 17307 1 669 . 1 1 70 70 PRO C C 13 178.850 0.50 . 1 . . . . 196 PRO C . 17307 1 670 . 1 1 70 70 PRO CA C 13 66.639 0.50 . 1 . . . . 196 PRO CA . 17307 1 671 . 1 1 70 70 PRO CB C 13 32.259 0.50 . 1 . . . . 196 PRO CB . 17307 1 672 . 1 1 70 70 PRO CG C 13 27.667 0.50 . 1 . . . . 196 PRO CG . 17307 1 673 . 1 1 70 70 PRO CD C 13 49.778 0.50 . 1 . . . . 196 PRO CD . 17307 1 674 . 1 1 71 71 ASP H H 1 7.646 0.05 . 1 . . . . 197 ASP H . 17307 1 675 . 1 1 71 71 ASP HA H 1 4.320 0.05 . 1 . . . . 197 ASP HA . 17307 1 676 . 1 1 71 71 ASP HB2 H 1 2.481 0.05 . 2 . . . . 197 ASP HB2 . 17307 1 677 . 1 1 71 71 ASP HB3 H 1 2.485 0.05 . 2 . . . . 197 ASP HB3 . 17307 1 678 . 1 1 71 71 ASP C C 13 179.132 0.50 . 1 . . . . 197 ASP C . 17307 1 679 . 1 1 71 71 ASP CA C 13 57.459 0.50 . 1 . . . . 197 ASP CA . 17307 1 680 . 1 1 71 71 ASP CB C 13 41.237 0.50 . 1 . . . . 197 ASP CB . 17307 1 681 . 1 1 71 71 ASP N N 15 115.358 0.10 . 1 . . . . 197 ASP N . 17307 1 682 . 1 1 72 72 CYS H H 1 8.529 0.05 . 1 . . . . 198 CYS H . 17307 1 683 . 1 1 72 72 CYS HA H 1 4.195 0.05 . 1 . . . . 198 CYS HA . 17307 1 684 . 1 1 72 72 CYS HB2 H 1 2.478 0.05 . 2 . . . . 198 CYS HB2 . 17307 1 685 . 1 1 72 72 CYS HB3 H 1 3.193 0.05 . 2 . . . . 198 CYS HB3 . 17307 1 686 . 1 1 72 72 CYS C C 13 176.244 0.50 . 1 . . . . 198 CYS C . 17307 1 687 . 1 1 72 72 CYS CA C 13 63.683 0.50 . 1 . . . . 198 CYS CA . 17307 1 688 . 1 1 72 72 CYS CB C 13 27.773 0.50 . 1 . . . . 198 CYS CB . 17307 1 689 . 1 1 72 72 CYS N N 15 116.452 0.10 . 1 . . . . 198 CYS N . 17307 1 690 . 1 1 73 73 LYS H H 1 9.482 0.05 . 1 . . . . 199 LYS H . 17307 1 691 . 1 1 73 73 LYS HA H 1 3.595 0.05 . 1 . . . . 199 LYS HA . 17307 1 692 . 1 1 73 73 LYS HB2 H 1 1.652 0.05 . 2 . . . . 199 LYS HB2 . 17307 1 693 . 1 1 73 73 LYS HB3 H 1 1.743 0.05 . 2 . . . . 199 LYS HB3 . 17307 1 694 . 1 1 73 73 LYS HG2 H 1 1.288 0.05 . 2 . . . . 199 LYS HG2 . 17307 1 695 . 1 1 73 73 LYS HG3 H 1 1.384 0.05 . 2 . . . . 199 LYS HG3 . 17307 1 696 . 1 1 73 73 LYS HD2 H 1 1.603 0.05 . 2 . . . . 199 LYS HD2 . 17307 1 697 . 1 1 73 73 LYS HD3 H 1 1.601 0.05 . 2 . . . . 199 LYS HD3 . 17307 1 698 . 1 1 73 73 LYS HE2 H 1 2.922 0.05 . 2 . . . . 199 LYS HE2 . 17307 1 699 . 1 1 73 73 LYS HE3 H 1 2.939 0.05 . 2 . . . . 199 LYS HE3 . 17307 1 700 . 1 1 73 73 LYS C C 13 178.040 0.50 . 1 . . . . 199 LYS C . 17307 1 701 . 1 1 73 73 LYS CA C 13 61.551 0.50 . 1 . . . . 199 LYS CA . 17307 1 702 . 1 1 73 73 LYS CB C 13 32.361 0.50 . 1 . . . . 199 LYS CB . 17307 1 703 . 1 1 73 73 LYS CG C 13 25.520 0.50 . 1 . . . . 199 LYS CG . 17307 1 704 . 1 1 73 73 LYS CD C 13 29.530 0.50 . 1 . . . . 199 LYS CD . 17307 1 705 . 1 1 73 73 LYS CE C 13 42.250 0.50 . 1 . . . . 199 LYS CE . 17307 1 706 . 1 1 73 73 LYS N N 15 121.822 0.10 . 1 . . . . 199 LYS N . 17307 1 707 . 1 1 74 74 THR H H 1 7.530 0.05 . 1 . . . . 200 THR H . 17307 1 708 . 1 1 74 74 THR HA H 1 3.713 0.05 . 1 . . . . 200 THR HA . 17307 1 709 . 1 1 74 74 THR HB H 1 4.110 0.05 . 1 . . . . 200 THR HB . 17307 1 710 . 1 1 74 74 THR HG21 H 1 1.166 0.05 . 1 . . . . 200 THR HG2 . 17307 1 711 . 1 1 74 74 THR HG22 H 1 1.166 0.05 . 1 . . . . 200 THR HG2 . 17307 1 712 . 1 1 74 74 THR HG23 H 1 1.166 0.05 . 1 . . . . 200 THR HG2 . 17307 1 713 . 1 1 74 74 THR C C 13 178.044 0.50 . 1 . . . . 200 THR C . 17307 1 714 . 1 1 74 74 THR CA C 13 66.651 0.50 . 1 . . . . 200 THR CA . 17307 1 715 . 1 1 74 74 THR CB C 13 68.800 0.50 . 1 . . . . 200 THR CB . 17307 1 716 . 1 1 74 74 THR CG2 C 13 21.377 0.50 . 1 . . . . 200 THR CG2 . 17307 1 717 . 1 1 74 74 THR N N 15 113.304 0.10 . 1 . . . . 200 THR N . 17307 1 718 . 1 1 75 75 ILE H H 1 6.716 0.05 . 1 . . . . 201 ILE H . 17307 1 719 . 1 1 75 75 ILE HA H 1 3.566 0.05 . 1 . . . . 201 ILE HA . 17307 1 720 . 1 1 75 75 ILE HB H 1 1.784 0.05 . 1 . . . . 201 ILE HB . 17307 1 721 . 1 1 75 75 ILE HG12 H 1 0.998 0.05 . 2 . . . . 201 ILE HG12 . 17307 1 722 . 1 1 75 75 ILE HG13 H 1 1.612 0.05 . 2 . . . . 201 ILE HG13 . 17307 1 723 . 1 1 75 75 ILE HG21 H 1 0.644 0.05 . 1 . . . . 201 ILE HG2 . 17307 1 724 . 1 1 75 75 ILE HG22 H 1 0.644 0.05 . 1 . . . . 201 ILE HG2 . 17307 1 725 . 1 1 75 75 ILE HG23 H 1 0.644 0.05 . 1 . . . . 201 ILE HG2 . 17307 1 726 . 1 1 75 75 ILE HD11 H 1 0.799 0.05 . 1 . . . . 201 ILE HD1 . 17307 1 727 . 1 1 75 75 ILE HD12 H 1 0.799 0.05 . 1 . . . . 201 ILE HD1 . 17307 1 728 . 1 1 75 75 ILE HD13 H 1 0.799 0.05 . 1 . . . . 201 ILE HD1 . 17307 1 729 . 1 1 75 75 ILE C C 13 178.190 0.50 . 1 . . . . 201 ILE C . 17307 1 730 . 1 1 75 75 ILE CA C 13 64.584 0.50 . 1 . . . . 201 ILE CA . 17307 1 731 . 1 1 75 75 ILE CB C 13 38.685 0.50 . 1 . . . . 201 ILE CB . 17307 1 732 . 1 1 75 75 ILE CG1 C 13 29.066 0.50 . 1 . . . . 201 ILE CG1 . 17307 1 733 . 1 1 75 75 ILE CG2 C 13 18.538 0.50 . 1 . . . . 201 ILE CG2 . 17307 1 734 . 1 1 75 75 ILE CD1 C 13 14.199 0.50 . 1 . . . . 201 ILE CD1 . 17307 1 735 . 1 1 75 75 ILE N N 15 122.676 0.10 . 1 . . . . 201 ILE N . 17307 1 736 . 1 1 76 76 LEU H H 1 8.529 0.05 . 1 . . . . 202 LEU H . 17307 1 737 . 1 1 76 76 LEU HA H 1 3.666 0.05 . 1 . . . . 202 LEU HA . 17307 1 738 . 1 1 76 76 LEU HB2 H 1 1.179 0.05 . 2 . . . . 202 LEU HB2 . 17307 1 739 . 1 1 76 76 LEU HB3 H 1 1.708 0.05 . 2 . . . . 202 LEU HB3 . 17307 1 740 . 1 1 76 76 LEU HG H 1 1.516 0.05 . 1 . . . . 202 LEU HG . 17307 1 741 . 1 1 76 76 LEU HD11 H 1 0.452 0.05 . 2 . . . . 202 LEU HD1 . 17307 1 742 . 1 1 76 76 LEU HD12 H 1 0.452 0.05 . 2 . . . . 202 LEU HD1 . 17307 1 743 . 1 1 76 76 LEU HD13 H 1 0.452 0.05 . 2 . . . . 202 LEU HD1 . 17307 1 744 . 1 1 76 76 LEU HD21 H 1 0.561 0.05 . 2 . . . . 202 LEU HD2 . 17307 1 745 . 1 1 76 76 LEU HD22 H 1 0.561 0.05 . 2 . . . . 202 LEU HD2 . 17307 1 746 . 1 1 76 76 LEU HD23 H 1 0.561 0.05 . 2 . . . . 202 LEU HD2 . 17307 1 747 . 1 1 76 76 LEU C C 13 180.760 0.50 . 1 . . . . 202 LEU C . 17307 1 748 . 1 1 76 76 LEU CA C 13 57.665 0.50 . 1 . . . . 202 LEU CA . 17307 1 749 . 1 1 76 76 LEU CB C 13 42.251 0.50 . 1 . . . . 202 LEU CB . 17307 1 750 . 1 1 76 76 LEU CG C 13 26.477 0.50 . 1 . . . . 202 LEU CG . 17307 1 751 . 1 1 76 76 LEU CD1 C 13 22.441 0.50 . 2 . . . . 202 LEU CD1 . 17307 1 752 . 1 1 76 76 LEU CD2 C 13 26.008 0.50 . 2 . . . . 202 LEU CD2 . 17307 1 753 . 1 1 76 76 LEU N N 15 118.876 0.10 . 1 . . . . 202 LEU N . 17307 1 754 . 1 1 77 77 LYS H H 1 8.488 0.05 . 1 . . . . 203 LYS H . 17307 1 755 . 1 1 77 77 LYS HA H 1 3.889 0.05 . 1 . . . . 203 LYS HA . 17307 1 756 . 1 1 77 77 LYS HB2 H 1 1.753 0.05 . 2 . . . . 203 LYS HB2 . 17307 1 757 . 1 1 77 77 LYS HB3 H 1 1.756 0.05 . 2 . . . . 203 LYS HB3 . 17307 1 758 . 1 1 77 77 LYS HG2 H 1 1.330 0.05 . 2 . . . . 203 LYS HG2 . 17307 1 759 . 1 1 77 77 LYS HG3 H 1 1.472 0.05 . 2 . . . . 203 LYS HG3 . 17307 1 760 . 1 1 77 77 LYS HD2 H 1 1.551 0.05 . 2 . . . . 203 LYS HD2 . 17307 1 761 . 1 1 77 77 LYS HD3 H 1 1.551 0.05 . 2 . . . . 203 LYS HD3 . 17307 1 762 . 1 1 77 77 LYS HE2 H 1 2.811 0.05 . 2 . . . . 203 LYS HE2 . 17307 1 763 . 1 1 77 77 LYS HE3 H 1 2.811 0.05 . 2 . . . . 203 LYS HE3 . 17307 1 764 . 1 1 77 77 LYS C C 13 178.747 0.50 . 1 . . . . 203 LYS C . 17307 1 765 . 1 1 77 77 LYS CA C 13 59.063 0.50 . 1 . . . . 203 LYS CA . 17307 1 766 . 1 1 77 77 LYS CB C 13 32.081 0.50 . 1 . . . . 203 LYS CB . 17307 1 767 . 1 1 77 77 LYS CG C 13 25.489 0.50 . 1 . . . . 203 LYS CG . 17307 1 768 . 1 1 77 77 LYS CD C 13 29.118 0.50 . 1 . . . . 203 LYS CD . 17307 1 769 . 1 1 77 77 LYS CE C 13 41.617 0.50 . 1 . . . . 203 LYS CE . 17307 1 770 . 1 1 77 77 LYS N N 15 119.619 0.10 . 1 . . . . 203 LYS N . 17307 1 771 . 1 1 78 78 ALA H H 1 7.101 0.05 . 1 . . . . 204 ALA H . 17307 1 772 . 1 1 78 78 ALA HA H 1 4.116 0.05 . 1 . . . . 204 ALA HA . 17307 1 773 . 1 1 78 78 ALA HB1 H 1 1.414 0.05 . 1 . . . . 204 ALA HB . 17307 1 774 . 1 1 78 78 ALA HB2 H 1 1.414 0.05 . 1 . . . . 204 ALA HB . 17307 1 775 . 1 1 78 78 ALA HB3 H 1 1.414 0.05 . 1 . . . . 204 ALA HB . 17307 1 776 . 1 1 78 78 ALA C C 13 178.940 0.50 . 1 . . . . 204 ALA C . 17307 1 777 . 1 1 78 78 ALA CA C 13 53.916 0.50 . 1 . . . . 204 ALA CA . 17307 1 778 . 1 1 78 78 ALA CB C 13 18.160 0.50 . 1 . . . . 204 ALA CB . 17307 1 779 . 1 1 78 78 ALA N N 15 120.564 0.10 . 1 . . . . 204 ALA N . 17307 1 780 . 1 1 79 79 LEU H H 1 7.440 0.05 . 1 . . . . 205 LEU H . 17307 1 781 . 1 1 79 79 LEU HA H 1 4.057 0.05 . 1 . . . . 205 LEU HA . 17307 1 782 . 1 1 79 79 LEU HB2 H 1 1.507 0.05 . 2 . . . . 205 LEU HB2 . 17307 1 783 . 1 1 79 79 LEU HB3 H 1 1.774 0.05 . 2 . . . . 205 LEU HB3 . 17307 1 784 . 1 1 79 79 LEU HG H 1 1.232 0.05 . 1 . . . . 205 LEU HG . 17307 1 785 . 1 1 79 79 LEU HD11 H 1 0.665 0.05 . 2 . . . . 205 LEU HD1 . 17307 1 786 . 1 1 79 79 LEU HD12 H 1 0.665 0.05 . 2 . . . . 205 LEU HD1 . 17307 1 787 . 1 1 79 79 LEU HD13 H 1 0.665 0.05 . 2 . . . . 205 LEU HD1 . 17307 1 788 . 1 1 79 79 LEU HD21 H 1 0.645 0.05 . 2 . . . . 205 LEU HD2 . 17307 1 789 . 1 1 79 79 LEU HD22 H 1 0.645 0.05 . 2 . . . . 205 LEU HD2 . 17307 1 790 . 1 1 79 79 LEU HD23 H 1 0.645 0.05 . 2 . . . . 205 LEU HD2 . 17307 1 791 . 1 1 79 79 LEU C C 13 178.811 0.50 . 1 . . . . 205 LEU C . 17307 1 792 . 1 1 79 79 LEU CA C 13 56.259 0.50 . 1 . . . . 205 LEU CA . 17307 1 793 . 1 1 79 79 LEU CB C 13 42.722 0.50 . 1 . . . . 205 LEU CB . 17307 1 794 . 1 1 79 79 LEU CD1 C 13 22.954 0.50 . 2 . . . . 205 LEU CD1 . 17307 1 795 . 1 1 79 79 LEU CD2 C 13 26.000 0.50 . 2 . . . . 205 LEU CD2 . 17307 1 796 . 1 1 79 79 LEU N N 15 117.578 0.10 . 1 . . . . 205 LEU N . 17307 1 797 . 1 1 80 80 GLY H H 1 7.178 0.05 . 1 . . . . 206 GLY H . 17307 1 798 . 1 1 80 80 GLY HA2 H 1 3.915 0.05 . 2 . . . . 206 GLY HA2 . 17307 1 799 . 1 1 80 80 GLY HA3 H 1 4.278 0.05 . 2 . . . . 206 GLY HA3 . 17307 1 800 . 1 1 80 80 GLY CA C 13 44.784 0.50 . 1 . . . . 206 GLY CA . 17307 1 801 . 1 1 80 80 GLY N N 15 103.570 0.10 . 1 . . . . 206 GLY N . 17307 1 802 . 1 1 81 81 PRO HA H 1 4.370 0.05 . 1 . . . . 207 PRO HA . 17307 1 803 . 1 1 81 81 PRO HB2 H 1 1.952 0.05 . 2 . . . . 207 PRO HB2 . 17307 1 804 . 1 1 81 81 PRO HB3 H 1 2.230 0.05 . 2 . . . . 207 PRO HB3 . 17307 1 805 . 1 1 81 81 PRO HG2 H 1 1.993 0.05 . 2 . . . . 207 PRO HG2 . 17307 1 806 . 1 1 81 81 PRO HG3 H 1 1.914 0.05 . 2 . . . . 207 PRO HG3 . 17307 1 807 . 1 1 81 81 PRO HD2 H 1 3.530 0.05 . 2 . . . . 207 PRO HD2 . 17307 1 808 . 1 1 81 81 PRO HD3 H 1 3.664 0.05 . 2 . . . . 207 PRO HD3 . 17307 1 809 . 1 1 81 81 PRO C C 13 177.633 0.50 . 1 . . . . 207 PRO C . 17307 1 810 . 1 1 81 81 PRO CA C 13 64.609 0.50 . 1 . . . . 207 PRO CA . 17307 1 811 . 1 1 81 81 PRO CB C 13 32.075 0.50 . 1 . . . . 207 PRO CB . 17307 1 812 . 1 1 81 81 PRO CG C 13 26.909 0.50 . 1 . . . . 207 PRO CG . 17307 1 813 . 1 1 81 81 PRO CD C 13 49.887 0.50 . 1 . . . . 207 PRO CD . 17307 1 814 . 1 1 82 82 ALA H H 1 8.365 0.05 . 1 . . . . 208 ALA H . 17307 1 815 . 1 1 82 82 ALA HA H 1 4.438 0.05 . 1 . . . . 208 ALA HA . 17307 1 816 . 1 1 82 82 ALA HB1 H 1 1.297 0.05 . 1 . . . . 208 ALA HB . 17307 1 817 . 1 1 82 82 ALA HB2 H 1 1.297 0.05 . 1 . . . . 208 ALA HB . 17307 1 818 . 1 1 82 82 ALA HB3 H 1 1.297 0.05 . 1 . . . . 208 ALA HB . 17307 1 819 . 1 1 82 82 ALA C C 13 176.991 0.50 . 1 . . . . 208 ALA C . 17307 1 820 . 1 1 82 82 ALA CA C 13 51.398 0.50 . 1 . . . . 208 ALA CA . 17307 1 821 . 1 1 82 82 ALA CB C 13 18.402 0.50 . 1 . . . . 208 ALA CB . 17307 1 822 . 1 1 82 82 ALA N N 15 122.470 0.10 . 1 . . . . 208 ALA N . 17307 1 823 . 1 1 83 83 ALA H H 1 6.896 0.05 . 1 . . . . 209 ALA H . 17307 1 824 . 1 1 83 83 ALA HA H 1 4.249 0.05 . 1 . . . . 209 ALA HA . 17307 1 825 . 1 1 83 83 ALA HB1 H 1 1.221 0.05 . 1 . . . . 209 ALA HB . 17307 1 826 . 1 1 83 83 ALA HB2 H 1 1.221 0.05 . 1 . . . . 209 ALA HB . 17307 1 827 . 1 1 83 83 ALA HB3 H 1 1.221 0.05 . 1 . . . . 209 ALA HB . 17307 1 828 . 1 1 83 83 ALA C C 13 177.676 0.50 . 1 . . . . 209 ALA C . 17307 1 829 . 1 1 83 83 ALA CA C 13 52.896 0.50 . 1 . . . . 209 ALA CA . 17307 1 830 . 1 1 83 83 ALA CB C 13 20.370 0.50 . 1 . . . . 209 ALA CB . 17307 1 831 . 1 1 83 83 ALA N N 15 122.515 0.10 . 1 . . . . 209 ALA N . 17307 1 832 . 1 1 84 84 THR H H 1 8.461 0.05 . 1 . . . . 210 THR H . 17307 1 833 . 1 1 84 84 THR HA H 1 4.337 0.05 . 1 . . . . 210 THR HA . 17307 1 834 . 1 1 84 84 THR HB H 1 4.669 0.05 . 1 . . . . 210 THR HB . 17307 1 835 . 1 1 84 84 THR HG21 H 1 1.243 0.05 . 1 . . . . 210 THR HG2 . 17307 1 836 . 1 1 84 84 THR HG22 H 1 1.243 0.05 . 1 . . . . 210 THR HG2 . 17307 1 837 . 1 1 84 84 THR HG23 H 1 1.243 0.05 . 1 . . . . 210 THR HG2 . 17307 1 838 . 1 1 84 84 THR C C 13 175.492 0.50 . 1 . . . . 210 THR C . 17307 1 839 . 1 1 84 84 THR CA C 13 60.023 0.50 . 1 . . . . 210 THR CA . 17307 1 840 . 1 1 84 84 THR CB C 13 71.063 0.50 . 1 . . . . 210 THR CB . 17307 1 841 . 1 1 84 84 THR CG2 C 13 21.832 0.50 . 1 . . . . 210 THR CG2 . 17307 1 842 . 1 1 84 84 THR N N 15 113.111 0.10 . 1 . . . . 210 THR N . 17307 1 843 . 1 1 85 85 LEU H H 1 9.126 0.05 . 1 . . . . 211 LEU H . 17307 1 844 . 1 1 85 85 LEU HA H 1 4.066 0.05 . 1 . . . . 211 LEU HA . 17307 1 845 . 1 1 85 85 LEU HB2 H 1 1.164 0.05 . 2 . . . . 211 LEU HB2 . 17307 1 846 . 1 1 85 85 LEU HB3 H 1 1.339 0.05 . 2 . . . . 211 LEU HB3 . 17307 1 847 . 1 1 85 85 LEU HG H 1 0.973 0.05 . 1 . . . . 211 LEU HG . 17307 1 848 . 1 1 85 85 LEU HD11 H 1 0.203 0.05 . 2 . . . . 211 LEU HD1 . 17307 1 849 . 1 1 85 85 LEU HD12 H 1 0.203 0.05 . 2 . . . . 211 LEU HD1 . 17307 1 850 . 1 1 85 85 LEU HD13 H 1 0.203 0.05 . 2 . . . . 211 LEU HD1 . 17307 1 851 . 1 1 85 85 LEU HD21 H 1 0.650 0.05 . 2 . . . . 211 LEU HD2 . 17307 1 852 . 1 1 85 85 LEU HD22 H 1 0.650 0.05 . 2 . . . . 211 LEU HD2 . 17307 1 853 . 1 1 85 85 LEU HD23 H 1 0.650 0.05 . 2 . . . . 211 LEU HD2 . 17307 1 854 . 1 1 85 85 LEU C C 13 178.790 0.50 . 1 . . . . 211 LEU C . 17307 1 855 . 1 1 85 85 LEU CA C 13 57.994 0.50 . 1 . . . . 211 LEU CA . 17307 1 856 . 1 1 85 85 LEU CB C 13 41.233 0.50 . 1 . . . . 211 LEU CB . 17307 1 857 . 1 1 85 85 LEU CG C 13 27.016 0.50 . 1 . . . . 211 LEU CG . 17307 1 858 . 1 1 85 85 LEU CD1 C 13 25.999 0.50 . 2 . . . . 211 LEU CD1 . 17307 1 859 . 1 1 85 85 LEU CD2 C 13 23.256 0.50 . 2 . . . . 211 LEU CD2 . 17307 1 860 . 1 1 85 85 LEU N N 15 122.385 0.10 . 1 . . . . 211 LEU N . 17307 1 861 . 1 1 86 86 GLU H H 1 8.756 0.05 . 1 . . . . 212 GLU H . 17307 1 862 . 1 1 86 86 GLU HA H 1 3.829 0.05 . 1 . . . . 212 GLU HA . 17307 1 863 . 1 1 86 86 GLU HB2 H 1 1.882 0.05 . 2 . . . . 212 GLU HB2 . 17307 1 864 . 1 1 86 86 GLU HB3 H 1 2.002 0.05 . 2 . . . . 212 GLU HB3 . 17307 1 865 . 1 1 86 86 GLU HG2 H 1 2.338 0.05 . 2 . . . . 212 GLU HG2 . 17307 1 866 . 1 1 86 86 GLU HG3 H 1 2.269 0.05 . 2 . . . . 212 GLU HG3 . 17307 1 867 . 1 1 86 86 GLU C C 13 179.390 0.50 . 1 . . . . 212 GLU C . 17307 1 868 . 1 1 86 86 GLU CA C 13 60.541 0.50 . 1 . . . . 212 GLU CA . 17307 1 869 . 1 1 86 86 GLU CB C 13 29.274 0.50 . 1 . . . . 212 GLU CB . 17307 1 870 . 1 1 86 86 GLU CG C 13 36.894 0.50 . 1 . . . . 212 GLU CG . 17307 1 871 . 1 1 86 86 GLU N N 15 117.734 0.10 . 1 . . . . 212 GLU N . 17307 1 872 . 1 1 87 87 GLU H H 1 7.601 0.05 . 1 . . . . 213 GLU H . 17307 1 873 . 1 1 87 87 GLU HA H 1 3.856 0.05 . 1 . . . . 213 GLU HA . 17307 1 874 . 1 1 87 87 GLU HB2 H 1 2.322 0.05 . 2 . . . . 213 GLU HB2 . 17307 1 875 . 1 1 87 87 GLU HB3 H 1 2.323 0.05 . 2 . . . . 213 GLU HB3 . 17307 1 876 . 1 1 87 87 GLU HG2 H 1 2.190 0.05 . 2 . . . . 213 GLU HG2 . 17307 1 877 . 1 1 87 87 GLU HG3 H 1 2.258 0.05 . 2 . . . . 213 GLU HG3 . 17307 1 878 . 1 1 87 87 GLU C C 13 180.054 0.50 . 1 . . . . 213 GLU C . 17307 1 879 . 1 1 87 87 GLU CA C 13 59.515 0.50 . 1 . . . . 213 GLU CA . 17307 1 880 . 1 1 87 87 GLU CB C 13 29.587 0.50 . 1 . . . . 213 GLU CB . 17307 1 881 . 1 1 87 87 GLU CG C 13 37.493 0.50 . 1 . . . . 213 GLU CG . 17307 1 882 . 1 1 87 87 GLU N N 15 119.749 0.10 . 1 . . . . 213 GLU N . 17307 1 883 . 1 1 88 88 MET H H 1 8.295 0.05 . 1 . . . . 214 MET H . 17307 1 884 . 1 1 88 88 MET HA H 1 3.457 0.05 . 1 . . . . 214 MET HA . 17307 1 885 . 1 1 88 88 MET HB2 H 1 1.710 0.05 . 2 . . . . 214 MET HB2 . 17307 1 886 . 1 1 88 88 MET HB3 H 1 1.943 0.05 . 2 . . . . 214 MET HB3 . 17307 1 887 . 1 1 88 88 MET HG2 H 1 2.775 0.05 . 2 . . . . 214 MET HG2 . 17307 1 888 . 1 1 88 88 MET HG3 H 1 2.273 0.05 . 2 . . . . 214 MET HG3 . 17307 1 889 . 1 1 88 88 MET HE1 H 1 1.851 0.05 . 1 . . . . 214 MET HE . 17307 1 890 . 1 1 88 88 MET HE2 H 1 1.851 0.05 . 1 . . . . 214 MET HE . 17307 1 891 . 1 1 88 88 MET HE3 H 1 1.851 0.05 . 1 . . . . 214 MET HE . 17307 1 892 . 1 1 88 88 MET C C 13 177.226 0.50 . 1 . . . . 214 MET C . 17307 1 893 . 1 1 88 88 MET CA C 13 60.108 0.50 . 1 . . . . 214 MET CA . 17307 1 894 . 1 1 88 88 MET CB C 13 33.082 0.50 . 1 . . . . 214 MET CB . 17307 1 895 . 1 1 88 88 MET CG C 13 32.966 0.50 . 1 . . . . 214 MET CG . 17307 1 896 . 1 1 88 88 MET CE C 13 17.868 0.50 . 1 . . . . 214 MET CE . 17307 1 897 . 1 1 88 88 MET N N 15 120.343 0.10 . 1 . . . . 214 MET N . 17307 1 898 . 1 1 89 89 MET H H 1 8.627 0.05 . 1 . . . . 215 MET H . 17307 1 899 . 1 1 89 89 MET HA H 1 4.081 0.05 . 1 . . . . 215 MET HA . 17307 1 900 . 1 1 89 89 MET HB2 H 1 1.979 0.05 . 2 . . . . 215 MET HB2 . 17307 1 901 . 1 1 89 89 MET HB3 H 1 2.258 0.05 . 2 . . . . 215 MET HB3 . 17307 1 902 . 1 1 89 89 MET HG2 H 1 2.528 0.05 . 2 . . . . 215 MET HG2 . 17307 1 903 . 1 1 89 89 MET HG3 H 1 2.610 0.05 . 2 . . . . 215 MET HG3 . 17307 1 904 . 1 1 89 89 MET HE1 H 1 1.646 0.05 . 1 . . . . 215 MET HE . 17307 1 905 . 1 1 89 89 MET HE2 H 1 1.646 0.05 . 1 . . . . 215 MET HE . 17307 1 906 . 1 1 89 89 MET HE3 H 1 1.646 0.05 . 1 . . . . 215 MET HE . 17307 1 907 . 1 1 89 89 MET C C 13 179.817 0.50 . 1 . . . . 215 MET C . 17307 1 908 . 1 1 89 89 MET CA C 13 58.514 0.50 . 1 . . . . 215 MET CA . 17307 1 909 . 1 1 89 89 MET CB C 13 32.095 0.50 . 1 . . . . 215 MET CB . 17307 1 910 . 1 1 89 89 MET CG C 13 33.320 0.50 . 1 . . . . 215 MET CG . 17307 1 911 . 1 1 89 89 MET CE C 13 17.842 0.50 . 1 . . . . 215 MET CE . 17307 1 912 . 1 1 89 89 MET N N 15 116.854 0.10 . 1 . . . . 215 MET N . 17307 1 913 . 1 1 90 90 THR H H 1 8.181 0.05 . 1 . . . . 216 THR H . 17307 1 914 . 1 1 90 90 THR HA H 1 3.803 0.05 . 1 . . . . 216 THR HA . 17307 1 915 . 1 1 90 90 THR HB H 1 4.053 0.05 . 1 . . . . 216 THR HB . 17307 1 916 . 1 1 90 90 THR HG21 H 1 1.138 0.05 . 1 . . . . 216 THR HG2 . 17307 1 917 . 1 1 90 90 THR HG22 H 1 1.138 0.05 . 1 . . . . 216 THR HG2 . 17307 1 918 . 1 1 90 90 THR HG23 H 1 1.138 0.05 . 1 . . . . 216 THR HG2 . 17307 1 919 . 1 1 90 90 THR C C 13 177.226 0.50 . 1 . . . . 216 THR C . 17307 1 920 . 1 1 90 90 THR CA C 13 66.544 0.50 . 1 . . . . 216 THR CA . 17307 1 921 . 1 1 90 90 THR CB C 13 68.687 0.50 . 1 . . . . 216 THR CB . 17307 1 922 . 1 1 90 90 THR CG2 C 13 21.616 0.50 . 1 . . . . 216 THR CG2 . 17307 1 923 . 1 1 90 90 THR N N 15 116.265 0.10 . 1 . . . . 216 THR N . 17307 1 924 . 1 1 91 91 ALA H H 1 7.979 0.05 . 1 . . . . 217 ALA H . 17307 1 925 . 1 1 91 91 ALA HA H 1 4.066 0.05 . 1 . . . . 217 ALA HA . 17307 1 926 . 1 1 91 91 ALA HB1 H 1 1.341 0.05 . 1 . . . . 217 ALA HB . 17307 1 927 . 1 1 91 91 ALA HB2 H 1 1.341 0.05 . 1 . . . . 217 ALA HB . 17307 1 928 . 1 1 91 91 ALA HB3 H 1 1.341 0.05 . 1 . . . . 217 ALA HB . 17307 1 929 . 1 1 91 91 ALA C C 13 179.561 0.50 . 1 . . . . 217 ALA C . 17307 1 930 . 1 1 91 91 ALA CA C 13 54.924 0.50 . 1 . . . . 217 ALA CA . 17307 1 931 . 1 1 91 91 ALA CB C 13 19.380 0.50 . 1 . . . . 217 ALA CB . 17307 1 932 . 1 1 91 91 ALA N N 15 122.877 0.10 . 1 . . . . 217 ALA N . 17307 1 933 . 1 1 92 92 CYS H H 1 7.376 0.05 . 1 . . . . 218 CYS H . 17307 1 934 . 1 1 92 92 CYS HA H 1 4.317 0.05 . 1 . . . . 218 CYS HA . 17307 1 935 . 1 1 92 92 CYS HB2 H 1 2.460 0.05 . 2 . . . . 218 CYS HB2 . 17307 1 936 . 1 1 92 92 CYS HB3 H 1 2.970 0.05 . 2 . . . . 218 CYS HB3 . 17307 1 937 . 1 1 92 92 CYS C C 13 175.427 0.50 . 1 . . . . 218 CYS C . 17307 1 938 . 1 1 92 92 CYS CA C 13 60.325 0.50 . 1 . . . . 218 CYS CA . 17307 1 939 . 1 1 92 92 CYS CB C 13 28.306 0.50 . 1 . . . . 218 CYS CB . 17307 1 940 . 1 1 92 92 CYS N N 15 110.620 0.10 . 1 . . . . 218 CYS N . 17307 1 941 . 1 1 93 93 GLN H H 1 7.399 0.05 . 1 . . . . 219 GLN H . 17307 1 942 . 1 1 93 93 GLN HA H 1 4.147 0.05 . 1 . . . . 219 GLN HA . 17307 1 943 . 1 1 93 93 GLN HB2 H 1 2.125 0.05 . 2 . . . . 219 GLN HB2 . 17307 1 944 . 1 1 93 93 GLN HB3 H 1 2.280 0.05 . 2 . . . . 219 GLN HB3 . 17307 1 945 . 1 1 93 93 GLN HG2 H 1 2.381 0.05 . 2 . . . . 219 GLN HG2 . 17307 1 946 . 1 1 93 93 GLN HG3 H 1 2.514 0.05 . 2 . . . . 219 GLN HG3 . 17307 1 947 . 1 1 93 93 GLN HE21 H 1 6.857 0.05 . 2 . . . . 219 GLN HE21 . 17307 1 948 . 1 1 93 93 GLN HE22 H 1 7.492 0.05 . 2 . . . . 219 GLN HE22 . 17307 1 949 . 1 1 93 93 GLN C C 13 176.477 0.50 . 1 . . . . 219 GLN C . 17307 1 950 . 1 1 93 93 GLN CA C 13 58.501 0.50 . 1 . . . . 219 GLN CA . 17307 1 951 . 1 1 93 93 GLN CB C 13 28.529 0.50 . 1 . . . . 219 GLN CB . 17307 1 952 . 1 1 93 93 GLN CG C 13 33.335 0.50 . 1 . . . . 219 GLN CG . 17307 1 953 . 1 1 93 93 GLN N N 15 122.626 0.10 . 1 . . . . 219 GLN N . 17307 1 954 . 1 1 93 93 GLN NE2 N 15 111.659 0.10 . 1 . . . . 219 GLN NE2 . 17307 1 955 . 1 1 94 94 GLY H H 1 8.687 0.05 . 1 . . . . 220 GLY H . 17307 1 956 . 1 1 94 94 GLY HA2 H 1 3.842 0.05 . 2 . . . . 220 GLY HA2 . 17307 1 957 . 1 1 94 94 GLY HA3 H 1 3.937 0.05 . 2 . . . . 220 GLY HA3 . 17307 1 958 . 1 1 94 94 GLY C C 13 174.399 0.50 . 1 . . . . 220 GLY C . 17307 1 959 . 1 1 94 94 GLY CA C 13 45.303 0.50 . 1 . . . . 220 GLY CA . 17307 1 960 . 1 1 94 94 GLY N N 15 110.387 0.10 . 1 . . . . 220 GLY N . 17307 1 961 . 1 1 95 95 VAL H H 1 7.284 0.05 . 1 . . . . 221 VAL H . 17307 1 962 . 1 1 95 95 VAL HA H 1 3.835 0.05 . 1 . . . . 221 VAL HA . 17307 1 963 . 1 1 95 95 VAL HB H 1 1.949 0.05 . 1 . . . . 221 VAL HB . 17307 1 964 . 1 1 95 95 VAL HG11 H 1 0.844 0.05 . 2 . . . . 221 VAL HG1 . 17307 1 965 . 1 1 95 95 VAL HG12 H 1 0.844 0.05 . 2 . . . . 221 VAL HG1 . 17307 1 966 . 1 1 95 95 VAL HG13 H 1 0.844 0.05 . 2 . . . . 221 VAL HG1 . 17307 1 967 . 1 1 95 95 VAL HG21 H 1 0.813 0.05 . 2 . . . . 221 VAL HG2 . 17307 1 968 . 1 1 95 95 VAL HG22 H 1 0.813 0.05 . 2 . . . . 221 VAL HG2 . 17307 1 969 . 1 1 95 95 VAL HG23 H 1 0.813 0.05 . 2 . . . . 221 VAL HG2 . 17307 1 970 . 1 1 95 95 VAL C C 13 177.077 0.50 . 1 . . . . 221 VAL C . 17307 1 971 . 1 1 95 95 VAL CA C 13 63.568 0.50 . 1 . . . . 221 VAL CA . 17307 1 972 . 1 1 95 95 VAL CB C 13 31.719 0.50 . 1 . . . . 221 VAL CB . 17307 1 973 . 1 1 95 95 VAL CG1 C 13 21.932 0.50 . 2 . . . . 221 VAL CG1 . 17307 1 974 . 1 1 95 95 VAL CG2 C 13 21.381 0.50 . 2 . . . . 221 VAL CG2 . 17307 1 975 . 1 1 95 95 VAL N N 15 120.427 0.10 . 1 . . . . 221 VAL N . 17307 1 976 . 1 1 96 96 GLY H H 1 8.742 0.05 . 1 . . . . 222 GLY H . 17307 1 977 . 1 1 96 96 GLY HA2 H 1 3.745 0.05 . 2 . . . . 222 GLY HA2 . 17307 1 978 . 1 1 96 96 GLY HA3 H 1 4.032 0.05 . 2 . . . . 222 GLY HA3 . 17307 1 979 . 1 1 96 96 GLY C C 13 173.922 0.50 . 1 . . . . 222 GLY C . 17307 1 980 . 1 1 96 96 GLY CA C 13 45.259 0.50 . 1 . . . . 222 GLY CA . 17307 1 981 . 1 1 96 96 GLY N N 15 116.137 0.10 . 1 . . . . 222 GLY N . 17307 1 982 . 1 1 97 97 GLY H H 1 7.932 0.05 . 1 . . . . 223 GLY H . 17307 1 983 . 1 1 97 97 GLY HA2 H 1 4.117 0.05 . 2 . . . . 223 GLY HA2 . 17307 1 984 . 1 1 97 97 GLY HA3 H 1 4.038 0.05 . 2 . . . . 223 GLY HA3 . 17307 1 985 . 1 1 97 97 GLY C C 13 171.979 0.50 . 1 . . . . 223 GLY C . 17307 1 986 . 1 1 97 97 GLY CA C 13 44.770 0.50 . 1 . . . . 223 GLY CA . 17307 1 987 . 1 1 97 97 GLY N N 15 108.039 0.10 . 1 . . . . 223 GLY N . 17307 1 988 . 1 1 98 98 PRO HA H 1 4.382 0.05 . 1 . . . . 224 PRO HA . 17307 1 989 . 1 1 98 98 PRO HB2 H 1 1.790 0.05 . 2 . . . . 224 PRO HB2 . 17307 1 990 . 1 1 98 98 PRO HB3 H 1 2.214 0.05 . 2 . . . . 224 PRO HB3 . 17307 1 991 . 1 1 98 98 PRO HG2 H 1 1.904 0.05 . 2 . . . . 224 PRO HG2 . 17307 1 992 . 1 1 98 98 PRO HG3 H 1 1.965 0.05 . 2 . . . . 224 PRO HG3 . 17307 1 993 . 1 1 98 98 PRO HD2 H 1 3.596 0.05 . 2 . . . . 224 PRO HD2 . 17307 1 994 . 1 1 98 98 PRO HD3 H 1 3.773 0.05 . 2 . . . . 224 PRO HD3 . 17307 1 995 . 1 1 98 98 PRO C C 13 177.763 0.50 . 1 . . . . 224 PRO C . 17307 1 996 . 1 1 98 98 PRO CA C 13 63.556 0.50 . 1 . . . . 224 PRO CA . 17307 1 997 . 1 1 98 98 PRO CB C 13 32.069 0.50 . 1 . . . . 224 PRO CB . 17307 1 998 . 1 1 98 98 PRO CG C 13 27.010 0.50 . 1 . . . . 224 PRO CG . 17307 1 999 . 1 1 98 98 PRO CD C 13 50.647 0.50 . 1 . . . . 224 PRO CD . 17307 1 1000 . 1 1 99 99 GLY H H 1 8.452 0.05 . 1 . . . . 225 GLY H . 17307 1 1001 . 1 1 99 99 GLY HA2 H 1 3.844 0.05 . 2 . . . . 225 GLY HA2 . 17307 1 1002 . 1 1 99 99 GLY HA3 H 1 3.828 0.05 . 2 . . . . 225 GLY HA3 . 17307 1 1003 . 1 1 99 99 GLY C C 13 173.928 0.50 . 1 . . . . 225 GLY C . 17307 1 1004 . 1 1 99 99 GLY CA C 13 45.301 0.50 . 1 . . . . 225 GLY CA . 17307 1 1005 . 1 1 99 99 GLY N N 15 109.147 0.10 . 1 . . . . 225 GLY N . 17307 1 1006 . 1 1 100 100 HIS H H 1 8.119 0.05 . 1 . . . . 226 HIS H . 17307 1 1007 . 1 1 100 100 HIS HA H 1 4.513 0.05 . 1 . . . . 226 HIS HA . 17307 1 1008 . 1 1 100 100 HIS HB2 H 1 3.054 0.05 . 2 . . . . 226 HIS HB2 . 17307 1 1009 . 1 1 100 100 HIS HB3 H 1 3.054 0.05 . 2 . . . . 226 HIS HB3 . 17307 1 1010 . 1 1 100 100 HIS C C 13 174.935 0.50 . 1 . . . . 226 HIS C . 17307 1 1011 . 1 1 100 100 HIS CA C 13 56.171 0.50 . 1 . . . . 226 HIS CA . 17307 1 1012 . 1 1 100 100 HIS CB C 13 30.348 0.50 . 1 . . . . 226 HIS CB . 17307 1 1013 . 1 1 100 100 HIS N N 15 119.497 0.10 . 1 . . . . 226 HIS N . 17307 1 1014 . 1 1 101 101 LYS H H 1 8.225 0.05 . 1 . . . . 227 LYS H . 17307 1 1015 . 1 1 101 101 LYS HA H 1 4.195 0.05 . 1 . . . . 227 LYS HA . 17307 1 1016 . 1 1 101 101 LYS HB2 H 1 1.615 0.05 . 2 . . . . 227 LYS HB2 . 17307 1 1017 . 1 1 101 101 LYS HB3 H 1 1.704 0.05 . 2 . . . . 227 LYS HB3 . 17307 1 1018 . 1 1 101 101 LYS HG2 H 1 1.297 0.05 . 2 . . . . 227 LYS HG2 . 17307 1 1019 . 1 1 101 101 LYS HG3 H 1 1.292 0.05 . 2 . . . . 227 LYS HG3 . 17307 1 1020 . 1 1 101 101 LYS HD2 H 1 1.739 0.05 . 2 . . . . 227 LYS HD2 . 17307 1 1021 . 1 1 101 101 LYS HD3 H 1 1.739 0.05 . 2 . . . . 227 LYS HD3 . 17307 1 1022 . 1 1 101 101 LYS HE2 H 1 2.897 0.05 . 2 . . . . 227 LYS HE2 . 17307 1 1023 . 1 1 101 101 LYS HE3 H 1 2.897 0.05 . 2 . . . . 227 LYS HE3 . 17307 1 1024 . 1 1 101 101 LYS C C 13 175.839 0.50 . 1 . . . . 227 LYS C . 17307 1 1025 . 1 1 101 101 LYS CA C 13 55.944 0.50 . 1 . . . . 227 LYS CA . 17307 1 1026 . 1 1 101 101 LYS CB C 13 32.708 0.50 . 1 . . . . 227 LYS CB . 17307 1 1027 . 1 1 101 101 LYS CG C 13 24.441 0.50 . 1 . . . . 227 LYS CG . 17307 1 1028 . 1 1 101 101 LYS CD C 13 29.038 0.50 . 1 . . . . 227 LYS CD . 17307 1 1029 . 1 1 101 101 LYS CE C 13 41.859 0.50 . 1 . . . . 227 LYS CE . 17307 1 1030 . 1 1 101 101 LYS N N 15 123.248 0.10 . 1 . . . . 227 LYS N . 17307 1 1031 . 1 1 102 102 ALA H H 1 8.261 0.05 . 1 . . . . 228 ALA H . 17307 1 1032 . 1 1 102 102 ALA HA H 1 4.195 0.05 . 1 . . . . 228 ALA HA . 17307 1 1033 . 1 1 102 102 ALA HB1 H 1 1.287 0.05 . 1 . . . . 228 ALA HB . 17307 1 1034 . 1 1 102 102 ALA HB2 H 1 1.287 0.05 . 1 . . . . 228 ALA HB . 17307 1 1035 . 1 1 102 102 ALA HB3 H 1 1.287 0.05 . 1 . . . . 228 ALA HB . 17307 1 1036 . 1 1 102 102 ALA C C 13 177.334 0.50 . 1 . . . . 228 ALA C . 17307 1 1037 . 1 1 102 102 ALA CA C 13 52.251 0.50 . 1 . . . . 228 ALA CA . 17307 1 1038 . 1 1 102 102 ALA CB C 13 19.160 0.50 . 1 . . . . 228 ALA CB . 17307 1 1039 . 1 1 102 102 ALA N N 15 125.618 0.10 . 1 . . . . 228 ALA N . 17307 1 1040 . 1 1 103 103 ARG H H 1 8.289 0.05 . 1 . . . . 229 ARG H . 17307 1 1041 . 1 1 103 103 ARG HA H 1 4.235 0.05 . 1 . . . . 229 ARG HA . 17307 1 1042 . 1 1 103 103 ARG HB2 H 1 1.704 0.05 . 2 . . . . 229 ARG HB2 . 17307 1 1043 . 1 1 103 103 ARG HB3 H 1 1.704 0.05 . 2 . . . . 229 ARG HB3 . 17307 1 1044 . 1 1 103 103 ARG HG2 H 1 1.553 0.05 . 2 . . . . 229 ARG HG2 . 17307 1 1045 . 1 1 103 103 ARG HG3 H 1 1.553 0.05 . 2 . . . . 229 ARG HG3 . 17307 1 1046 . 1 1 103 103 ARG HD2 H 1 3.099 0.05 . 2 . . . . 229 ARG HD2 . 17307 1 1047 . 1 1 103 103 ARG HD3 H 1 3.099 0.05 . 2 . . . . 229 ARG HD3 . 17307 1 1048 . 1 1 103 103 ARG C C 13 175.797 0.50 . 1 . . . . 229 ARG C . 17307 1 1049 . 1 1 103 103 ARG CA C 13 55.810 0.50 . 1 . . . . 229 ARG CA . 17307 1 1050 . 1 1 103 103 ARG CB C 13 30.618 0.50 . 1 . . . . 229 ARG CB . 17307 1 1051 . 1 1 103 103 ARG CG C 13 26.505 0.50 . 1 . . . . 229 ARG CG . 17307 1 1052 . 1 1 103 103 ARG CD C 13 43.193 0.50 . 1 . . . . 229 ARG CD . 17307 1 1053 . 1 1 103 103 ARG N N 15 121.125 0.10 . 1 . . . . 229 ARG N . 17307 1 1054 . 1 1 104 104 VAL H H 1 8.220 0.05 . 1 . . . . 230 VAL H . 17307 1 1055 . 1 1 104 104 VAL HA H 1 4.007 0.05 . 1 . . . . 230 VAL HA . 17307 1 1056 . 1 1 104 104 VAL HB H 1 1.962 0.05 . 1 . . . . 230 VAL HB . 17307 1 1057 . 1 1 104 104 VAL HG11 H 1 0.851 0.05 . 2 . . . . 230 VAL HG1 . 17307 1 1058 . 1 1 104 104 VAL HG12 H 1 0.851 0.05 . 2 . . . . 230 VAL HG1 . 17307 1 1059 . 1 1 104 104 VAL HG13 H 1 0.851 0.05 . 2 . . . . 230 VAL HG1 . 17307 1 1060 . 1 1 104 104 VAL HG21 H 1 0.851 0.05 . 2 . . . . 230 VAL HG2 . 17307 1 1061 . 1 1 104 104 VAL HG22 H 1 0.851 0.05 . 2 . . . . 230 VAL HG2 . 17307 1 1062 . 1 1 104 104 VAL HG23 H 1 0.851 0.05 . 2 . . . . 230 VAL HG2 . 17307 1 1063 . 1 1 104 104 VAL C C 13 174.994 0.50 . 1 . . . . 230 VAL C . 17307 1 1064 . 1 1 104 104 VAL CA C 13 62.305 0.50 . 1 . . . . 230 VAL CA . 17307 1 1065 . 1 1 104 104 VAL CB C 13 32.685 0.50 . 1 . . . . 230 VAL CB . 17307 1 1066 . 1 1 104 104 VAL CG1 C 13 20.350 0.50 . 2 . . . . 230 VAL CG1 . 17307 1 1067 . 1 1 104 104 VAL CG2 C 13 20.900 0.50 . 2 . . . . 230 VAL CG2 . 17307 1 1068 . 1 1 104 104 VAL N N 15 123.242 0.10 . 1 . . . . 230 VAL N . 17307 1 1069 . 1 1 105 105 LEU H H 1 7.889 0.05 . 1 . . . . 231 LEU H . 17307 1 1070 . 1 1 105 105 LEU N N 15 131.960 0.10 . 1 . . . . 231 LEU N . 17307 1 1071 . 2 2 1 1 ILE H H 1 9.014 0.05 . 1 . . . . 1 ILE H . 17307 1 1072 . 2 2 1 1 ILE HA H 1 4.090 0.05 . 1 . . . . 1 ILE HA . 17307 1 1073 . 2 2 1 1 ILE HB H 1 2.040 0.05 . 1 . . . . 1 ILE HB . 17307 1 1074 . 2 2 1 1 ILE HG12 H 1 1.277 0.05 . 2 . . . . 1 ILE HG12 . 17307 1 1075 . 2 2 1 1 ILE HG13 H 1 1.277 0.05 . 2 . . . . 1 ILE HG13 . 17307 1 1076 . 2 2 1 1 ILE HG21 H 1 1.001 0.05 . 1 . . . . 1 ILE HG2 . 17307 1 1077 . 2 2 1 1 ILE HG22 H 1 1.001 0.05 . 1 . . . . 1 ILE HG2 . 17307 1 1078 . 2 2 1 1 ILE HG23 H 1 1.001 0.05 . 1 . . . . 1 ILE HG2 . 17307 1 1079 . 2 2 1 1 ILE HD11 H 1 0.788 0.05 . 1 . . . . 1 ILE HD1 . 17307 1 1080 . 2 2 1 1 ILE HD12 H 1 0.788 0.05 . 1 . . . . 1 ILE HD1 . 17307 1 1081 . 2 2 1 1 ILE HD13 H 1 0.788 0.05 . 1 . . . . 1 ILE HD1 . 17307 1 1082 . 2 2 2 2 THR H H 1 8.702 0.05 . 1 . . . . 2 THR H . 17307 1 1083 . 2 2 2 2 THR HA H 1 4.535 0.05 . 1 . . . . 2 THR HA . 17307 1 1084 . 2 2 2 2 THR HB H 1 4.875 0.05 . 1 . . . . 2 THR HB . 17307 1 1085 . 2 2 2 2 THR HG21 H 1 1.284 0.05 . 1 . . . . 2 THR HG2 . 17307 1 1086 . 2 2 2 2 THR HG22 H 1 1.284 0.05 . 1 . . . . 2 THR HG2 . 17307 1 1087 . 2 2 2 2 THR HG23 H 1 1.284 0.05 . 1 . . . . 2 THR HG2 . 17307 1 1088 . 2 2 3 3 PHE H H 1 8.703 0.05 . 1 . . . . 3 PHE H . 17307 1 1089 . 2 2 3 3 PHE HA H 1 4.365 0.05 . 1 . . . . 3 PHE HA . 17307 1 1090 . 2 2 3 3 PHE HB2 H 1 3.087 0.05 . 2 . . . . 3 PHE HB2 . 17307 1 1091 . 2 2 3 3 PHE HB3 H 1 3.135 0.05 . 2 . . . . 3 PHE HB3 . 17307 1 1092 . 2 2 3 3 PHE HD1 H 1 7.300 0.05 . 1 . . . . 3 PHE HD1 . 17307 1 1093 . 2 2 3 3 PHE HD2 H 1 7.300 0.05 . 1 . . . . 3 PHE HD2 . 17307 1 1094 . 2 2 3 3 PHE HE1 H 1 7.300 0.05 . 1 . . . . 3 PHE HE1 . 17307 1 1095 . 2 2 3 3 PHE HE2 H 1 7.300 0.05 . 1 . . . . 3 PHE HE2 . 17307 1 1096 . 2 2 3 3 PHE HZ H 1 7.139 0.05 . 1 . . . . 3 PHE HZ . 17307 1 1097 . 2 2 4 4 MK8 H H 1 8.038 0.05 . 1 . . . . 4 MK8 HN . 17307 1 1098 . 2 2 4 4 MK8 HB H 1 1.667 0.05 . 2 . . . . 4 MK8 HB . 17307 1 1099 . 2 2 4 4 MK8 HB1 H 1 1.418 0.05 . 1 . . . . 4 MK8 HB1 . 17307 1 1100 . 2 2 4 4 MK8 HG H 1 1.018 0.05 . 2 . . . . 4 MK8 HG . 17307 1 1101 . 2 2 4 4 MK8 HD H 1 2.006 0.05 . 2 . . . . 4 MK8 HD . 17307 1 1102 . 2 2 4 4 MK8 HE H 1 5.375 0.05 . 1 . . . . 4 MK8 HE . 17307 1 1103 . 2 2 4 4 MK8 HBA H 1 1.972 0.05 . 2 . . . . 4 MK8 HBA . 17307 1 1104 . 2 2 4 4 MK8 HDA H 1 1.589 0.05 . 2 . . . . 4 MK8 HDA . 17307 1 1105 . 2 2 4 4 MK8 HGA H 1 1.587 0.05 . 2 . . . . 4 MK8 HGA . 17307 1 1106 . 2 2 5 5 ASP H H 1 7.243 0.05 . 1 . . . . 5 ASP H . 17307 1 1107 . 2 2 5 5 ASP HA H 1 4.278 0.05 . 1 . . . . 5 ASP HA . 17307 1 1108 . 2 2 5 5 ASP HB2 H 1 2.630 0.05 . 2 . . . . 5 ASP HB2 . 17307 1 1109 . 2 2 5 5 ASP HB3 H 1 3.054 0.05 . 2 . . . . 5 ASP HB3 . 17307 1 1110 . 2 2 6 6 LEU H H 1 7.519 0.05 . 1 . . . . 6 LEU H . 17307 1 1111 . 2 2 6 6 LEU HA H 1 3.805 0.05 . 1 . . . . 6 LEU HA . 17307 1 1112 . 2 2 6 6 LEU HB2 H 1 1.407 0.05 . 2 . . . . 6 LEU HB2 . 17307 1 1113 . 2 2 6 6 LEU HB3 H 1 1.917 0.05 . 2 . . . . 6 LEU HB3 . 17307 1 1114 . 2 2 6 6 LEU HG H 1 1.179 0.05 . 1 . . . . 6 LEU HG . 17307 1 1115 . 2 2 6 6 LEU HD11 H 1 0.799 0.05 . 2 . . . . 6 LEU HD1 . 17307 1 1116 . 2 2 6 6 LEU HD12 H 1 0.799 0.05 . 2 . . . . 6 LEU HD1 . 17307 1 1117 . 2 2 6 6 LEU HD13 H 1 0.799 0.05 . 2 . . . . 6 LEU HD1 . 17307 1 1118 . 2 2 6 6 LEU HD21 H 1 0.797 0.05 . 2 . . . . 6 LEU HD2 . 17307 1 1119 . 2 2 6 6 LEU HD22 H 1 0.797 0.05 . 2 . . . . 6 LEU HD2 . 17307 1 1120 . 2 2 6 6 LEU HD23 H 1 0.797 0.05 . 2 . . . . 6 LEU HD2 . 17307 1 1121 . 2 2 7 7 LEU H H 1 7.389 0.05 . 1 . . . . 7 LEU H . 17307 1 1122 . 2 2 7 7 LEU HA H 1 3.816 0.05 . 1 . . . . 7 LEU HA . 17307 1 1123 . 2 2 7 7 LEU HB2 H 1 1.685 0.05 . 2 . . . . 7 LEU HB2 . 17307 1 1124 . 2 2 7 7 LEU HB3 H 1 1.397 0.05 . 2 . . . . 7 LEU HB3 . 17307 1 1125 . 2 2 7 7 LEU HG H 1 1.399 0.05 . 1 . . . . 7 LEU HG . 17307 1 1126 . 2 2 7 7 LEU HD11 H 1 0.881 0.05 . 2 . . . . 7 LEU HD1 . 17307 1 1127 . 2 2 7 7 LEU HD12 H 1 0.881 0.05 . 2 . . . . 7 LEU HD1 . 17307 1 1128 . 2 2 7 7 LEU HD13 H 1 0.881 0.05 . 2 . . . . 7 LEU HD1 . 17307 1 1129 . 2 2 7 7 LEU HD21 H 1 0.914 0.05 . 2 . . . . 7 LEU HD2 . 17307 1 1130 . 2 2 7 7 LEU HD22 H 1 0.914 0.05 . 2 . . . . 7 LEU HD2 . 17307 1 1131 . 2 2 7 7 LEU HD23 H 1 0.914 0.05 . 2 . . . . 7 LEU HD2 . 17307 1 1132 . 2 2 8 8 MK8 H H 1 8.396 0.05 . 1 . . . . 8 MK8 HN . 17307 1 1133 . 2 2 8 8 MK8 HB H 1 1.556 0.05 . 2 . . . . 8 MK8 HB . 17307 1 1134 . 2 2 8 8 MK8 HB1 H 1 1.353 0.05 . 1 . . . . 8 MK8 HB1 . 17307 1 1135 . 2 2 8 8 MK8 HG H 1 1.003 0.05 . 2 . . . . 8 MK8 HG . 17307 1 1136 . 2 2 8 8 MK8 HD H 1 1.616 0.05 . 2 . . . . 8 MK8 HD . 17307 1 1137 . 2 2 8 8 MK8 HE H 1 5.486 0.05 . 1 . . . . 8 MK8 HE . 17307 1 1138 . 2 2 8 8 MK8 HBA H 1 1.394 0.05 . 2 . . . . 8 MK8 HBA . 17307 1 1139 . 2 2 8 8 MK8 HDA H 1 2.245 0.05 . 2 . . . . 8 MK8 HDA . 17307 1 1140 . 2 2 8 8 MK8 HGA H 1 1.169 0.05 . 2 . . . . 8 MK8 HGA . 17307 1 1141 . 2 2 9 9 TYR H H 1 7.583 0.05 . 1 . . . . 9 TYR H . 17307 1 1142 . 2 2 9 9 TYR HA H 1 3.892 0.05 . 1 . . . . 9 TYR HA . 17307 1 1143 . 2 2 9 9 TYR HB2 H 1 2.765 0.05 . 1 . . . . 9 TYR HB2 . 17307 1 1144 . 2 2 9 9 TYR HB3 H 1 2.977 0.05 . 1 . . . . 9 TYR HB3 . 17307 1 1145 . 2 2 9 9 TYR HD1 H 1 6.226 0.05 . 1 . . . . 9 TYR HD1 . 17307 1 1146 . 2 2 9 9 TYR HD2 H 1 6.226 0.05 . 1 . . . . 9 TYR HD2 . 17307 1 1147 . 2 2 9 9 TYR HE1 H 1 6.340 0.05 . 1 . . . . 9 TYR HE1 . 17307 1 1148 . 2 2 9 9 TYR HE2 H 1 6.340 0.05 . 1 . . . . 9 TYR HE2 . 17307 1 1149 . 2 2 10 10 TYR H H 1 7.962 0.05 . 1 . . . . 10 TYR H . 17307 1 1150 . 2 2 10 10 TYR HA H 1 3.883 0.05 . 1 . . . . 10 TYR HA . 17307 1 1151 . 2 2 10 10 TYR HB2 H 1 2.325 0.05 . 1 . . . . 10 TYR HB2 . 17307 1 1152 . 2 2 10 10 TYR HB3 H 1 2.920 0.05 . 1 . . . . 10 TYR HB3 . 17307 1 1153 . 2 2 10 10 TYR HD1 H 1 6.766 0.05 . 1 . . . . 10 TYR HD1 . 17307 1 1154 . 2 2 10 10 TYR HD2 H 1 6.766 0.05 . 1 . . . . 10 TYR HD2 . 17307 1 1155 . 2 2 10 10 TYR HE1 H 1 6.490 0.05 . 1 . . . . 10 TYR HE1 . 17307 1 1156 . 2 2 10 10 TYR HE2 H 1 6.490 0.05 . 1 . . . . 10 TYR HE2 . 17307 1 1157 . 2 2 11 11 GLY H H 1 8.314 0.05 . 1 . . . . 11 GLY H . 17307 1 1158 . 2 2 11 11 GLY HA2 H 1 3.704 0.05 . 2 . . . . 11 GLY HA2 . 17307 1 1159 . 2 2 11 11 GLY HA3 H 1 4.030 0.05 . 2 . . . . 11 GLY HA3 . 17307 1 1160 . 2 2 12 12 LYS H H 1 7.561 0.05 . 1 . . . . 12 LYS H . 17307 1 1161 . 2 2 12 12 LYS HA H 1 4.168 0.05 . 1 . . . . 12 LYS HA . 17307 1 1162 . 2 2 12 12 LYS HB2 H 1 1.690 0.05 . 2 . . . . 12 LYS HB2 . 17307 1 1163 . 2 2 12 12 LYS HB3 H 1 1.753 0.05 . 2 . . . . 12 LYS HB3 . 17307 1 1164 . 2 2 12 12 LYS HG2 H 1 1.351 0.05 . 2 . . . . 12 LYS HG2 . 17307 1 1165 . 2 2 12 12 LYS HG3 H 1 1.434 0.05 . 2 . . . . 12 LYS HG3 . 17307 1 1166 . 2 2 12 12 LYS HD2 H 1 1.548 0.05 . 2 . . . . 12 LYS HD2 . 17307 1 1167 . 2 2 12 12 LYS HD3 H 1 1.547 0.05 . 2 . . . . 12 LYS HD3 . 17307 1 1168 . 2 2 12 12 LYS HE2 H 1 2.876 0.05 . 2 . . . . 12 LYS HE2 . 17307 1 1169 . 2 2 12 12 LYS HE3 H 1 2.927 0.05 . 2 . . . . 12 LYS HE3 . 17307 1 1170 . 2 2 13 13 LYS H H 1 7.874 0.05 . 1 . . . . 13 LYS H . 17307 1 1171 . 2 2 13 13 LYS HA H 1 4.160 0.05 . 1 . . . . 13 LYS HA . 17307 1 1172 . 2 2 13 13 LYS HB2 H 1 1.634 0.05 . 2 . . . . 13 LYS HB2 . 17307 1 1173 . 2 2 13 13 LYS HB3 H 1 1.729 0.05 . 2 . . . . 13 LYS HB3 . 17307 1 1174 . 2 2 13 13 LYS HG2 H 1 1.289 0.05 . 2 . . . . 13 LYS HG2 . 17307 1 1175 . 2 2 13 13 LYS HD2 H 1 1.524 0.05 . 2 . . . . 13 LYS HD2 . 17307 1 1176 . 2 2 13 13 LYS HE2 H 1 2.787 0.05 . 2 . . . . 13 LYS HE2 . 17307 1 1177 . 2 2 13 13 LYS HE3 H 1 2.792 0.05 . 2 . . . . 13 LYS HE3 . 17307 1 1178 . 2 2 14 14 LYS H H 1 8.106 0.05 . 1 . . . . 14 LYS H . 17307 1 1179 . 2 2 14 14 LYS HA H 1 4.145 0.05 . 1 . . . . 14 LYS HA . 17307 1 1180 . 2 2 14 14 LYS HB2 H 1 1.712 0.05 . 2 . . . . 14 LYS HB2 . 17307 1 1181 . 2 2 14 14 LYS HG2 H 1 1.357 0.05 . 2 . . . . 14 LYS HG2 . 17307 1 1182 . 2 2 14 14 LYS HG3 H 1 1.357 0.05 . 2 . . . . 14 LYS HG3 . 17307 1 1183 . 2 2 14 14 LYS HD2 H 1 1.627 0.05 . 2 . . . . 14 LYS HD2 . 17307 1 1184 . 2 2 14 14 LYS HD3 H 1 1.627 0.05 . 2 . . . . 14 LYS HD3 . 17307 1 stop_ save_