data_16555 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16555 _Entry.Title ; 1H, 15N and 13C assignments of the dimeric C-terminal domain of HIV-1 capsid protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-15 _Entry.Accession_date 2009-10-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details n/a _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 Jinwon Jung . . . 16555 2 In-Ja Byeon . L. . 16555 3 Jinwoo Ahn . . . 16555 4 Jason Concel . . . 16555 5 Angela Gronenborn . M. . 16555 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16555 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 272 16555 '15N chemical shifts' 91 16555 '1H chemical shifts' 568 16555 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-20 2009-10-15 update BMRB 'complete entry citation' 16555 1 . . 2009-11-30 2009-10-15 original author 'original release' 16555 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16555 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19921549 _Citation.Full_citation . _Citation.Title '1H, 15N and 13C assignments of the dimeric C-terminal domain of HIV-1 capsid protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 1 _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 21 _Citation.Page_last 23 _Citation.Year 2010 _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 Jinwon Jung . . . 16555 1 2 In-Ja Byeon . L. . 16555 1 3 Jinwoo Ahn . . . 16555 1 4 Jason Concel . . . 16555 1 5 Angela Gronenborn . M. . 16555 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CA 16555 1 'capsid protein' 16555 1 CTD 16555 1 'C-terminal domain' 16555 1 HIV-1 16555 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16555 _Assembly.ID 1 _Assembly.Name 'CA-CTD dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9827.3 _Assembly.Enzyme_commission_number . _Assembly.Details homodimer _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 'subunit 1' 1 $HIV-1_Capsid_Protein A . yes native no no 1 . . 16555 1 2 'subunit 2' 1 $HIV-1_Capsid_Protein B . yes native no no 1 . . 16555 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2KOD . . 'solution NMR' . . . 16555 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HIV-1_Capsid_Protein _Entity.Sf_category entity _Entity.Sf_framecode HIV-1_Capsid_Protein _Entity.Entry_ID 16555 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HIV-1_Capsid_Protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MYSPTSILDIRQGPKEPFRD YVDRFYKTLRAEQASQEVKN WMTETLLVQNANPDCKTILK ALGPAATLEEMMTACQGVGG PGHKARVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 144,M _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'The C-terminal domain of HIV-1 capsid protein' _Entity.Mutation none _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" . . . . . 97.73 87 98.84 98.84 2.32e-55 . . . . 16555 1 2 no BMRB 17307 . Capsid_protein_p24 . . . . . 95.45 105 97.62 97.62 3.16e-53 . . . . 16555 1 3 no BMRB 19261 . HIVcapsid . . . . . 100.00 231 98.86 98.86 1.52e-56 . . . . 16555 1 4 no BMRB 19575 . HIV1_CA . . . . . 100.00 231 98.86 98.86 1.52e-56 . . . . 16555 1 5 no BMRB 25532 . Gag . . . . . 100.00 432 100.00 100.00 3.78e-55 . . . . 16555 1 6 no PDB 1A43 . "Structure Of The Hiv-1 Capsid Protein Dimerization Domain At 2.6a Resolution" . . . . . 97.73 87 98.84 98.84 3.60e-56 . . . . 16555 1 7 no PDB 1AUM . "Hiv Capsid C-Terminal Domain (Cac146)" . . . . . 79.55 70 98.57 98.57 3.32e-43 . . . . 16555 1 8 no PDB 1BAJ . "Hiv-1 Capsid Protein C-Terminal Fragment Plus Gag P2 Domain" . . . . . 97.73 101 98.84 98.84 1.80e-56 . . . . 16555 1 9 no PDB 1E6J . "Crystal Structure Of Hiv-1 Capsid Protein (p24) In Complex With Fab13b5" . . . . . 87.50 210 100.00 100.00 2.42e-48 . . . . 16555 1 10 no PDB 1VU4 . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 11 no PDB 1VU5 . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 12 no PDB 1VU6 . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 13 no PDB 1VU7 . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 14 no PDB 1VU8 . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 15 no PDB 1VU9 . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 16 no PDB 1VUA . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 17 no PDB 1VUC . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 18 no PDB 1VUD . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 19 no PDB 1VUE . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 20 no PDB 1VUF . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 21 no PDB 1VUG . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 22 no PDB 1VUH . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 23 no PDB 1VUI . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 24 no PDB 1VUJ . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 25 no PDB 1VUK . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 26 no PDB 1VUL . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 27 no PDB 1VUM . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 28 no PDB 1VUN . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 29 no PDB 1VUO . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 30 no PDB 1VUP . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 31 no PDB 1VUQ . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 32 no PDB 1VUR . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 33 no PDB 1VUS . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 34 no PDB 1VUT . "Atomic-level Structure Of The Entire Hiv-1 Capsid" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 35 no PDB 1VUU . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 36 no PDB 1VUV . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 37 no PDB 1VUW . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 38 no PDB 1VUX . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 39 no PDB 1VUY . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 40 no PDB 1VUZ . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 41 no PDB 1VV0 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 42 no PDB 1VV1 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 43 no PDB 1VV2 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 44 no PDB 1VV3 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 45 no PDB 1VV4 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 46 no PDB 1VV5 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 47 no PDB 1VV6 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 48 no PDB 1VV7 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 49 no PDB 1VV8 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 50 no PDB 1VV9 . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 51 no PDB 1VVA . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 52 no PDB 1VVB . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 53 no PDB 1VVF . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 54 no PDB 1VVG . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 55 no PDB 1VVH . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 56 no PDB 1VVI . "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 57 no PDB 2BUO . "Hiv-1 Capsid C-Terminal Domain In Complex With An Inhibitor Of Particle Assembly" . . . . . 97.73 86 98.84 98.84 3.99e-56 . . . . 16555 1 58 no PDB 2JO0 . "The Solution Structure Of The Monomeric Species Of The C Terminal Domain Of The Ca Protein Of Hiv-1" . . . . . 97.73 87 98.84 98.84 2.32e-55 . . . . 16555 1 59 no PDB 2KOD . "A High-Resolution Nmr Structure Of The Dimeric C-Terminal Domain Of Hiv-1 Ca" . . . . . 100.00 88 100.00 100.00 1.11e-58 . . . . 16555 1 60 no PDB 2L6E . "Nmr Structure Of The Monomeric Mutant C-Terminal Domain Of Hiv-1 Capsid In Complex With Stapled Peptide Inhibitor" . . . . . 95.45 105 97.62 97.62 3.16e-53 . . . . 16555 1 61 no PDB 2M8L . "Hiv Capsid Dimer Structure" . . . . . 88.64 221 98.72 98.72 2.95e-48 . . . . 16555 1 62 no PDB 2M8N . "Hiv-1 Capsid Monomer Structure" . . . . . 88.64 221 98.72 98.72 2.95e-48 . . . . 16555 1 63 no PDB 2ONT . "A Swapped Dimer Of The Hiv-1 Capsid C-terminal Domain" . . . . . 86.36 76 97.37 97.37 3.18e-45 . . . . 16555 1 64 no PDB 2XT1 . "Crystal Structure Of The Hiv-1 Capsid Protein C-Terminal Domain (146-231) In Complex With A Camelid Vhh" . . . . . 97.73 86 98.84 98.84 3.99e-56 . . . . 16555 1 65 no PDB 2XV6 . "Crystal Structure Of The Hiv-1 Capsid Protein C-Terminal Domain (146-220) In Complex With A Camelid Vhh." . . . . . 85.23 75 98.67 98.67 4.64e-47 . . . . 16555 1 66 no PDB 2XXM . "Crystal Structure Of The Hiv-1 Capsid Protein C-Terminal Domain In Complex With A Camelid Vhh And The Cai Peptide" . . . . . 85.23 75 98.67 98.67 4.64e-47 . . . . 16555 1 67 no PDB 3DIK . "Pseudo-Atomic Model Of The Hiv-1 Ca Hexameric Lattice" . . . . . 86.36 219 98.68 98.68 1.21e-46 . . . . 16555 1 68 no PDB 3DPH . "Hiv-1 Capsid C-Terminal Domain Mutant (L211s)" . . . . . 97.73 86 97.67 97.67 3.41e-55 . . . . 16555 1 69 no PDB 3DS0 . "Hiv-1 Capsid C-Terminal Domain Mutant (N183a) In Complex With An Inhibitor Of Particle Assembly (Cai)" . . . . . 97.73 86 97.67 97.67 5.40e-55 . . . . 16555 1 70 no PDB 3DS1 . "Hiv-1 Capsid C-Terminal Domain Mutant (E187a) In Complex With An Inhibitor Of Particle Assembly (Cai)" . . . . . 97.73 86 97.67 97.67 2.96e-55 . . . . 16555 1 71 no PDB 3DS2 . "Hiv-1 Capsid C-Terminal Domain Mutant (Y169a)" . . . . . 97.73 86 97.67 97.67 5.58e-55 . . . . 16555 1 72 no PDB 3DS3 . "Hiv-1 Capsid C-Terminal Domain Mutant (Y169a) In Complex With An Inhibitor Of Particle Assembly (Cai)" . . . . . 97.73 86 97.67 97.67 5.58e-55 . . . . 16555 1 73 no PDB 3DS4 . "Hiv-1 Capsid C-Terminal Domain Mutant (L211s) In Complex With An Inhibitor Of Particle Assembly (Cai)" . . . . . 97.73 86 97.67 97.67 3.41e-55 . . . . 16555 1 74 no PDB 3DS5 . "Hiv-1 Capsid C-Terminal Domain Mutant (N183a)" . . . . . 97.73 86 97.67 97.67 5.40e-55 . . . . 16555 1 75 no PDB 3DTJ . "Hiv-1 Capsid C-terminal Domain Mutant (e187a)" . . . . . 97.73 86 97.67 97.67 2.96e-55 . . . . 16555 1 76 no PDB 3J34 . "Structure Of Hiv-1 Capsid Protein By Cryo-em" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 77 no PDB 3J4F . "Structure Of Hiv-1 Capsid Protein By Cryo-em" . . . . . 100.00 231 100.00 100.00 3.27e-57 . . . . 16555 1 78 no PDB 3LRY . "Crystal Structure Of Synthetic Hiv-1 Capsid C-Terminal Domain (Cca)" . . . . . 97.73 86 98.84 98.84 3.99e-56 . . . . 16555 1 79 no PDB 3NTE . "Crystal Structure Of The Wild-type Full-length Hiv-1 Capsid Protein" . . . . . 88.64 221 100.00 100.00 6.65e-49 . . . . 16555 1 80 no PDB 4COC . "Hiv-1 Capsid C-terminal Domain Mutant (y169l)" . . . . . 97.73 86 97.67 97.67 4.53e-55 . . . . 16555 1 81 no PDB 4COP . "Hiv-1 Capsid C-terminal Domain Mutant (y169s)" . . . . . 97.73 86 97.67 97.67 4.39e-55 . . . . 16555 1 82 no PDB 4D1K . "Cryo-electron Microscopy Of Tubular Arrays Of Hiv-1 Gag Resolves Structures Essential For Immature Virus Assembly" . . . . . 86.36 219 97.37 97.37 1.63e-45 . . . . 16555 1 83 no PDB 4IPY . "Hiv Capsid C-terminal Domain" . . . . . 97.73 87 98.84 98.84 3.60e-56 . . . . 16555 1 84 no PDB 4M0I . "Crystal Structure Of Synthetic Hiv-1 Capsid C-terminal Domain (ctd) C198s Mutant" . . . . . 97.73 86 97.67 97.67 4.84e-55 . . . . 16555 1 85 no PDB 4USN . "The Structure Of The Immature Hiv-1 Capsid In Intact Virus Particles At Sub-nm Resolution" . . . . . 86.36 210 97.37 97.37 1.61e-45 . . . . 16555 1 86 no PDB 4XFX . "Structure Of The Native Full-length Hiv-1 Capsid Protein" . . . . . 100.00 231 98.86 98.86 1.52e-56 . . . . 16555 1 87 no PDB 4XFY . "Structure Of The Native Full-length Dehydrated Hiv-1 Capsid Protein" . . . . . 100.00 231 98.86 98.86 1.52e-56 . . . . 16555 1 88 no PDB 4XFZ . "Structure Of The Native Full-length Hiv-1 Capsid Protein In Complex With Pf-3450074 (pf74)" . . . . . 100.00 231 98.86 98.86 1.52e-56 . . . . 16555 1 89 no DBJ BAA00992 . "gag polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 500 100.00 100.00 1.83e-54 . . . . 16555 1 90 no DBJ BAA12988 . "Gag [Human immunodeficiency virus 1]" . . . . . 100.00 512 100.00 100.00 3.14e-54 . . . . 16555 1 91 no DBJ BAA12996 . "Gag [Human immunodeficiency virus 1]" . . . . . 100.00 512 100.00 100.00 2.95e-54 . . . . 16555 1 92 no DBJ BAA93773 . "gag protein [Human immunodeficiency virus 1]" . . . . . 100.00 231 98.86 100.00 1.41e-56 . . . . 16555 1 93 no DBJ BAA93774 . "gag protein [Human immunodeficiency virus 1]" . . . . . 100.00 231 98.86 100.00 1.42e-56 . . . . 16555 1 94 no EMBL CAA06946 . "gag polyprotein precursor [Human immunodeficiency virus 1]" . . . . . 100.00 503 98.86 100.00 9.67e-54 . . . . 16555 1 95 no EMBL CAA11880 . "p24 [Human immunodeficiency virus 1]" . . . . . 76.14 189 100.00 100.00 2.37e-40 . . . . 16555 1 96 no EMBL CAA11884 . "p24 [Human immunodeficiency virus 1]" . . . . . 76.14 191 97.01 98.51 2.62e-39 . . . . 16555 1 97 no EMBL CAA11886 . "p24 [Human immunodeficiency virus 1]" . . . . . 76.14 190 100.00 100.00 2.49e-40 . . . . 16555 1 98 no EMBL CAA12915 . "p24 core protein [Human immunodeficiency virus 1]" . . . . . 54.55 113 97.92 97.92 6.08e-25 . . . . 16555 1 99 no GB AAA44201 . "gag polyprotein precursor [Human immunodeficiency virus 1]" . . . . . 100.00 512 100.00 100.00 3.63e-54 . . . . 16555 1 100 no GB AAA44224 . "gag protein, partial [Human immunodeficiency virus 1]" . . . . . 100.00 493 97.73 98.86 3.50e-53 . . . . 16555 1 101 no GB AAA44225 . "gag protein, partial [Human immunodeficiency virus 1]" . . . . . 100.00 491 97.73 100.00 1.48e-53 . . . . 16555 1 102 no GB AAA44306 . "gag polyprotein [Human immunodeficiency virus 1]" . . . . . 100.00 500 98.86 98.86 1.52e-53 . . . . 16555 1 103 no GB AAA44652 . "gag polyprotein precursor [Human immunodeficiency virus 1]" . . . . . 100.00 512 100.00 100.00 3.56e-54 . . . . 16555 1 104 no PIR FOVWLV . "gag polyprotein - human immunodeficiency virus type 1 (isolate LAV-1a)" . . . . . 100.00 500 100.00 100.00 2.17e-54 . . . . 16555 1 105 no PRF 1102247B . "protein gag" . . . . . 100.00 512 100.00 100.00 3.63e-54 . . . . 16555 1 106 no PRF 1103299C . "gag gene" . . . . . 100.00 478 100.00 100.00 1.11e-54 . . . . 16555 1 107 no REF NP_057849 . "Gag-Pol [Human immunodeficiency virus 1]" . . . . . 100.00 1435 100.00 100.00 2.85e-52 . . . . 16555 1 108 no REF NP_057850 . "Pr55(Gag) [Human immunodeficiency virus 1]" . . . . . 100.00 500 100.00 100.00 2.43e-54 . . . . 16555 1 109 no REF NP_579880 . "capsid [Human immunodeficiency virus 1]" . . . . . 100.00 231 100.00 100.00 3.23e-57 . . . . 16555 1 110 no SP P03347 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 100.00 512 100.00 100.00 3.63e-54 . . . . 16555 1 111 no SP P03348 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 100.00 512 100.00 100.00 3.14e-54 . . . . 16555 1 112 no SP P03349 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 100.00 502 98.86 100.00 8.57e-54 . . . . 16555 1 113 no SP P03366 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 100.00 1447 100.00 100.00 2.83e-52 . . . . 16555 1 114 no SP P03367 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 100.00 1447 100.00 100.00 2.54e-52 . . . . 16555 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 1 144 MET . 16555 1 2 145 TYR . 16555 1 3 146 SER . 16555 1 4 147 PRO . 16555 1 5 148 THR . 16555 1 6 149 SER . 16555 1 7 150 ILE . 16555 1 8 151 LEU . 16555 1 9 152 ASP . 16555 1 10 153 ILE . 16555 1 11 154 ARG . 16555 1 12 155 GLN . 16555 1 13 156 GLY . 16555 1 14 157 PRO . 16555 1 15 158 LYS . 16555 1 16 159 GLU . 16555 1 17 160 PRO . 16555 1 18 161 PHE . 16555 1 19 162 ARG . 16555 1 20 163 ASP . 16555 1 21 164 TYR . 16555 1 22 165 VAL . 16555 1 23 166 ASP . 16555 1 24 167 ARG . 16555 1 25 168 PHE . 16555 1 26 169 TYR . 16555 1 27 170 LYS . 16555 1 28 171 THR . 16555 1 29 172 LEU . 16555 1 30 173 ARG . 16555 1 31 174 ALA . 16555 1 32 175 GLU . 16555 1 33 176 GLN . 16555 1 34 177 ALA . 16555 1 35 178 SER . 16555 1 36 179 GLN . 16555 1 37 180 GLU . 16555 1 38 181 VAL . 16555 1 39 182 LYS . 16555 1 40 183 ASN . 16555 1 41 184 TRP . 16555 1 42 185 MET . 16555 1 43 186 THR . 16555 1 44 187 GLU . 16555 1 45 188 THR . 16555 1 46 189 LEU . 16555 1 47 190 LEU . 16555 1 48 191 VAL . 16555 1 49 192 GLN . 16555 1 50 193 ASN . 16555 1 51 194 ALA . 16555 1 52 195 ASN . 16555 1 53 196 PRO . 16555 1 54 197 ASP . 16555 1 55 198 CYS . 16555 1 56 199 LYS . 16555 1 57 200 THR . 16555 1 58 201 ILE . 16555 1 59 202 LEU . 16555 1 60 203 LYS . 16555 1 61 204 ALA . 16555 1 62 205 LEU . 16555 1 63 206 GLY . 16555 1 64 207 PRO . 16555 1 65 208 ALA . 16555 1 66 209 ALA . 16555 1 67 210 THR . 16555 1 68 211 LEU . 16555 1 69 212 GLU . 16555 1 70 213 GLU . 16555 1 71 214 MET . 16555 1 72 215 MET . 16555 1 73 216 THR . 16555 1 74 217 ALA . 16555 1 75 218 CYS . 16555 1 76 219 GLN . 16555 1 77 220 GLY . 16555 1 78 221 VAL . 16555 1 79 222 GLY . 16555 1 80 223 GLY . 16555 1 81 224 PRO . 16555 1 82 225 GLY . 16555 1 83 226 HIS . 16555 1 84 227 LYS . 16555 1 85 228 ALA . 16555 1 86 229 ARG . 16555 1 87 230 VAL . 16555 1 88 231 LEU . 16555 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 16555 1 . TYR 2 2 16555 1 . SER 3 3 16555 1 . PRO 4 4 16555 1 . THR 5 5 16555 1 . SER 6 6 16555 1 . ILE 7 7 16555 1 . LEU 8 8 16555 1 . ASP 9 9 16555 1 . ILE 10 10 16555 1 . ARG 11 11 16555 1 . GLN 12 12 16555 1 . GLY 13 13 16555 1 . PRO 14 14 16555 1 . LYS 15 15 16555 1 . GLU 16 16 16555 1 . PRO 17 17 16555 1 . PHE 18 18 16555 1 . ARG 19 19 16555 1 . ASP 20 20 16555 1 . TYR 21 21 16555 1 . VAL 22 22 16555 1 . ASP 23 23 16555 1 . ARG 24 24 16555 1 . PHE 25 25 16555 1 . TYR 26 26 16555 1 . LYS 27 27 16555 1 . THR 28 28 16555 1 . LEU 29 29 16555 1 . ARG 30 30 16555 1 . ALA 31 31 16555 1 . GLU 32 32 16555 1 . GLN 33 33 16555 1 . ALA 34 34 16555 1 . SER 35 35 16555 1 . GLN 36 36 16555 1 . GLU 37 37 16555 1 . VAL 38 38 16555 1 . LYS 39 39 16555 1 . ASN 40 40 16555 1 . TRP 41 41 16555 1 . MET 42 42 16555 1 . THR 43 43 16555 1 . GLU 44 44 16555 1 . THR 45 45 16555 1 . LEU 46 46 16555 1 . LEU 47 47 16555 1 . VAL 48 48 16555 1 . GLN 49 49 16555 1 . ASN 50 50 16555 1 . ALA 51 51 16555 1 . ASN 52 52 16555 1 . PRO 53 53 16555 1 . ASP 54 54 16555 1 . CYS 55 55 16555 1 . LYS 56 56 16555 1 . THR 57 57 16555 1 . ILE 58 58 16555 1 . LEU 59 59 16555 1 . LYS 60 60 16555 1 . ALA 61 61 16555 1 . LEU 62 62 16555 1 . GLY 63 63 16555 1 . PRO 64 64 16555 1 . ALA 65 65 16555 1 . ALA 66 66 16555 1 . THR 67 67 16555 1 . LEU 68 68 16555 1 . GLU 69 69 16555 1 . GLU 70 70 16555 1 . MET 71 71 16555 1 . MET 72 72 16555 1 . THR 73 73 16555 1 . ALA 74 74 16555 1 . CYS 75 75 16555 1 . GLN 76 76 16555 1 . GLY 77 77 16555 1 . VAL 78 78 16555 1 . GLY 79 79 16555 1 . GLY 80 80 16555 1 . PRO 81 81 16555 1 . GLY 82 82 16555 1 . HIS 83 83 16555 1 . LYS 84 84 16555 1 . ALA 85 85 16555 1 . ARG 86 86 16555 1 . VAL 87 87 16555 1 . LEU 88 88 16555 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16555 _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 $HIV-1_Capsid_Protein . 11646 virus . Lentivirus 'Lentivirus human immunodeficiency virus' . . Viruses . Lentivirus HIV-1 . . . . . . . . . . . . . . . . . . . . . 16555 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 16555 _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 $HIV-1_Capsid_Protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21 . . . . . . 16555 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16555 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HIV-1 CA-CTD' '[U-100% 13C; U-100% 15N]' . . 1 $HIV-1_Capsid_Protein . . 2 . . mM . . . . 16555 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16555 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16555 1 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16555 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16555 1 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16555 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16555 _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' 25 . mM 16555 1 pH 6.5 . pH 16555 1 pressure 1 . atm 16555 1 temperature 298 . K 16555 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16555 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16555 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16555 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16555 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16555 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16555 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16555 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16555 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16555 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16555 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16555 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16555 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 16555 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16555 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16555 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 16555 _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 . 900 . . . 16555 1 2 spectrometer_2 Bruker Avance . 800 . . . 16555 1 3 spectrometer_3 Bruker Avance . 700 . . . 16555 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 16555 _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 . . . . . . . . . . . . . . . . . . . . . 16555 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16555 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16555 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16555 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16555 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16555 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16555 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16555 1 9 '3D simultaneous 13C,15N-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16555 1 10 '3D 13C-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16555 1 11 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16555 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 16555 _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 . . . . . . . . . 16555 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16555 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16555 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 16555 _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' . . . 16555 1 3 '3D HNCACB' . . . 16555 1 4 '3D HN(CO)CACB' . . . 16555 1 5 '3D HNCA' . . . 16555 1 6 '3D HN(CO)CA' . . . 16555 1 7 '3D HBHA(CO)NH' . . . 16555 1 8 '3D HCCH-TOCSY' . . . 16555 1 9 '3D simultaneous 13C,15N-edited NOESY' . . . 16555 1 10 '3D 13C-edited NOESY' . . . 16555 1 11 '2D NOESY' . . . 16555 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 TYR HA H 1 4.731 0.000 0.01 1 . . . . 145 Y HA . 16555 1 2 . 1 1 2 2 TYR HB2 H 1 2.931 0.000 0.01 1 . . . . 145 Y HB1 . 16555 1 3 . 1 1 2 2 TYR HB3 H 1 3.088 0.000 0.01 2 . . . . 145 Y HB2 . 16555 1 4 . 1 1 2 2 TYR HD1 H 1 7.109 0.000 0.01 3 . . . . 145 Y HD1 . 16555 1 5 . 1 1 2 2 TYR HE1 H 1 6.812 0.000 0.01 3 . . . . 145 Y HE1 . 16555 1 6 . 1 1 2 2 TYR CA C 13 58.014 0.000 0.1 1 . . . . 145 Y CA . 16555 1 7 . 1 1 2 2 TYR CB C 13 38.967 0.000 0.1 1 . . . . 145 Y CB . 16555 1 8 . 1 1 2 2 TYR CD1 C 13 132.735 0.000 0.1 3 . . . . 145 Y CD1 . 16555 1 9 . 1 1 2 2 TYR CE1 C 13 118.089 0.000 0.1 3 . . . . 145 Y CE1 . 16555 1 10 . 1 1 3 3 SER H H 1 8.041 0.000 0.01 1 . . . . 146 S HN . 16555 1 11 . 1 1 3 3 SER HA H 1 4.691 0.000 0.01 1 . . . . 146 S HA . 16555 1 12 . 1 1 3 3 SER HB2 H 1 3.671 0.000 0.01 1 . . . . 146 S HB1 . 16555 1 13 . 1 1 3 3 SER HB3 H 1 3.772 0.000 0.01 2 . . . . 146 S HB2 . 16555 1 14 . 1 1 3 3 SER CA C 13 55.320 0.000 0.1 1 . . . . 146 S CA . 16555 1 15 . 1 1 3 3 SER CB C 13 63.943 0.000 0.1 1 . . . . 146 S CB . 16555 1 16 . 1 1 3 3 SER N N 15 121.147 0.000 0.1 1 . . . . 146 S N . 16555 1 17 . 1 1 4 4 PRO HA H 1 4.412 0.000 0.01 1 . . . . 147 P HA . 16555 1 18 . 1 1 4 4 PRO HB2 H 1 1.959 0.000 0.01 1 . . . . 147 P HB1 . 16555 1 19 . 1 1 4 4 PRO HB3 H 1 2.296 0.000 0.01 2 . . . . 147 P HB2 . 16555 1 20 . 1 1 4 4 PRO HD2 H 1 3.491 0.000 0.01 1 . . . . 147 P HD1 . 16555 1 21 . 1 1 4 4 PRO HD3 H 1 3.683 0.000 0.01 2 . . . . 147 P HD2 . 16555 1 22 . 1 1 4 4 PRO HG2 H 1 2.001 0.000 0.01 1 . . . . 147 P HG1 . 16555 1 23 . 1 1 4 4 PRO CA C 13 63.062 0.000 0.1 1 . . . . 147 P CA . 16555 1 24 . 1 1 4 4 PRO CB C 13 32.102 0.000 0.1 1 . . . . 147 P CB . 16555 1 25 . 1 1 4 4 PRO CD C 13 50.586 0.000 0.1 1 . . . . 147 P CD . 16555 1 26 . 1 1 4 4 PRO CG C 13 27.036 0.000 0.1 1 . . . . 147 P CG . 16555 1 27 . 1 1 5 5 THR H H 1 8.174 0.000 0.01 1 . . . . 148 T HN . 16555 1 28 . 1 1 5 5 THR HA H 1 4.641 0.000 0.01 1 . . . . 148 T HA . 16555 1 29 . 1 1 5 5 THR HB H 1 4.224 0.000 0.01 1 . . . . 148 T HB . 16555 1 30 . 1 1 5 5 THR HG21 H 1 1.194 0.000 0.01 1 . . . . 148 T HG21 . 16555 1 31 . 1 1 5 5 THR HG22 H 1 1.194 0.000 0.01 1 . . . . 148 T HG21 . 16555 1 32 . 1 1 5 5 THR HG23 H 1 1.194 0.000 0.01 1 . . . . 148 T HG21 . 16555 1 33 . 1 1 5 5 THR CA C 13 60.991 0.000 0.1 1 . . . . 148 T CA . 16555 1 34 . 1 1 5 5 THR CB C 13 70.053 0.000 0.1 1 . . . . 148 T CB . 16555 1 35 . 1 1 5 5 THR CG2 C 13 20.850 0.000 0.1 1 . . . . 148 T CG2 . 16555 1 36 . 1 1 5 5 THR N N 15 114.932 0.000 0.1 1 . . . . 148 T N . 16555 1 37 . 1 1 6 6 SER HA H 1 3.950 0.000 0.01 1 . . . . 149 S HA . 16555 1 38 . 1 1 6 6 SER HB2 H 1 3.949 0.000 0.01 1 . . . . 149 S HB1 . 16555 1 39 . 1 1 6 6 SER HB3 H 1 3.762 0.000 0.01 2 . . . . 149 S HB2 . 16555 1 40 . 1 1 6 6 SER CB C 13 64.826 0.000 0.1 1 . . . . 149 S CB . 16555 1 41 . 1 1 7 7 ILE H H 1 8.709 0.000 0.01 1 . . . . 150 I HN . 16555 1 42 . 1 1 7 7 ILE HA H 1 3.954 0.000 0.01 1 . . . . 150 I HA . 16555 1 43 . 1 1 7 7 ILE HB H 1 1.451 0.000 0.01 1 . . . . 150 I HB . 16555 1 44 . 1 1 7 7 ILE HD11 H 1 -0.210 0.000 0.01 1 . . . . 150 I HD11 . 16555 1 45 . 1 1 7 7 ILE HD12 H 1 -0.210 0.000 0.01 1 . . . . 150 I HD11 . 16555 1 46 . 1 1 7 7 ILE HD13 H 1 -0.210 0.000 0.01 1 . . . . 150 I HD11 . 16555 1 47 . 1 1 7 7 ILE HG12 H 1 0.854 0.000 0.01 1 . . . . 150 I HG11 . 16555 1 48 . 1 1 7 7 ILE HG13 H 1 0.994 0.000 0.01 2 . . . . 150 I HG12 . 16555 1 49 . 1 1 7 7 ILE HG21 H 1 0.933 0.000 0.01 1 . . . . 150 I HG21 . 16555 1 50 . 1 1 7 7 ILE HG22 H 1 0.933 0.000 0.01 1 . . . . 150 I HG21 . 16555 1 51 . 1 1 7 7 ILE HG23 H 1 0.933 0.000 0.01 1 . . . . 150 I HG21 . 16555 1 52 . 1 1 7 7 ILE CA C 13 60.718 0.000 0.1 1 . . . . 150 I CA . 16555 1 53 . 1 1 7 7 ILE CB C 13 39.669 0.000 0.1 1 . . . . 150 I CB . 16555 1 54 . 1 1 7 7 ILE CD1 C 13 14.795 0.000 0.1 1 . . . . 150 I CD1 . 16555 1 55 . 1 1 7 7 ILE CG1 C 13 28.711 0.000 0.1 1 . . . . 150 I CG1 . 16555 1 56 . 1 1 7 7 ILE CG2 C 13 17.501 0.000 0.1 1 . . . . 150 I CG2 . 16555 1 57 . 1 1 7 7 ILE N N 15 125.960 0.000 0.1 1 . . . . 150 I N . 16555 1 58 . 1 1 8 8 LEU H H 1 7.614 0.000 0.01 1 . . . . 151 L HN . 16555 1 59 . 1 1 8 8 LEU HA H 1 4.042 0.000 0.01 1 . . . . 151 L HA . 16555 1 60 . 1 1 8 8 LEU HB2 H 1 1.747 0.000 0.01 1 . . . . 151 L HB1 . 16555 1 61 . 1 1 8 8 LEU HB3 H 1 1.627 0.000 0.01 2 . . . . 151 L HB2 . 16555 1 62 . 1 1 8 8 LEU HD11 H 1 1.159 0.000 0.01 2 . . . . 151 L HD11 . 16555 1 63 . 1 1 8 8 LEU HD12 H 1 1.159 0.000 0.01 2 . . . . 151 L HD11 . 16555 1 64 . 1 1 8 8 LEU HD13 H 1 1.159 0.000 0.01 2 . . . . 151 L HD11 . 16555 1 65 . 1 1 8 8 LEU HD21 H 1 0.994 0.000 0.01 2 . . . . 151 L HD21 . 16555 1 66 . 1 1 8 8 LEU HD22 H 1 0.994 0.000 0.01 2 . . . . 151 L HD21 . 16555 1 67 . 1 1 8 8 LEU HD23 H 1 0.994 0.000 0.01 2 . . . . 151 L HD21 . 16555 1 68 . 1 1 8 8 LEU HG H 1 1.805 0.000 0.01 1 . . . . 151 L HG . 16555 1 69 . 1 1 8 8 LEU CA C 13 56.736 0.000 0.1 1 . . . . 151 L CA . 16555 1 70 . 1 1 8 8 LEU CB C 13 40.960 0.000 0.1 1 . . . . 151 L CB . 16555 1 71 . 1 1 8 8 LEU CD1 C 13 23.459 0.000 0.1 2 . . . . 151 L CD1 . 16555 1 72 . 1 1 8 8 LEU CD2 C 13 25.705 0.000 0.1 2 . . . . 151 L CD2 . 16555 1 73 . 1 1 8 8 LEU CG C 13 27.401 0.000 0.1 1 . . . . 151 L CG . 16555 1 74 . 1 1 8 8 LEU N N 15 118.883 0.000 0.1 1 . . . . 151 L N . 16555 1 75 . 1 1 9 9 ASP H H 1 7.545 0.000 0.01 1 . . . . 152 D HN . 16555 1 76 . 1 1 9 9 ASP HA H 1 4.760 0.000 0.01 1 . . . . 152 D HA . 16555 1 77 . 1 1 9 9 ASP HB2 H 1 2.626 0.000 0.01 1 . . . . 152 D HB1 . 16555 1 78 . 1 1 9 9 ASP HB3 H 1 2.967 0.000 0.01 2 . . . . 152 D HB2 . 16555 1 79 . 1 1 9 9 ASP CA C 13 54.166 0.000 0.1 1 . . . . 152 D CA . 16555 1 80 . 1 1 9 9 ASP CB C 13 41.993 0.000 0.1 1 . . . . 152 D CB . 16555 1 81 . 1 1 9 9 ASP N N 15 114.458 0.000 0.1 1 . . . . 152 D N . 16555 1 82 . 1 1 10 10 ILE H H 1 7.391 0.000 0.01 1 . . . . 153 I HN . 16555 1 83 . 1 1 10 10 ILE HA H 1 4.180 0.000 0.01 1 . . . . 153 I HA . 16555 1 84 . 1 1 10 10 ILE HB H 1 2.441 0.000 0.01 1 . . . . 153 I HB . 16555 1 85 . 1 1 10 10 ILE HD11 H 1 0.701 0.000 0.01 1 . . . . 153 I HD11 . 16555 1 86 . 1 1 10 10 ILE HD12 H 1 0.701 0.000 0.01 1 . . . . 153 I HD11 . 16555 1 87 . 1 1 10 10 ILE HD13 H 1 0.701 0.000 0.01 1 . . . . 153 I HD11 . 16555 1 88 . 1 1 10 10 ILE HG12 H 1 1.279 0.000 0.01 1 . . . . 153 I HG11 . 16555 1 89 . 1 1 10 10 ILE HG13 H 1 1.782 0.000 0.01 2 . . . . 153 I HG12 . 16555 1 90 . 1 1 10 10 ILE HG21 H 1 0.984 0.000 0.01 1 . . . . 153 I HG21 . 16555 1 91 . 1 1 10 10 ILE HG22 H 1 0.984 0.000 0.01 1 . . . . 153 I HG21 . 16555 1 92 . 1 1 10 10 ILE HG23 H 1 0.984 0.000 0.01 1 . . . . 153 I HG21 . 16555 1 93 . 1 1 10 10 ILE CA C 13 59.364 0.000 0.1 1 . . . . 153 I CA . 16555 1 94 . 1 1 10 10 ILE CB C 13 33.977 0.000 0.1 1 . . . . 153 I CB . 16555 1 95 . 1 1 10 10 ILE CD1 C 13 9.772 0.000 0.1 1 . . . . 153 I CD1 . 16555 1 96 . 1 1 10 10 ILE CG1 C 13 27.068 0.000 0.1 1 . . . . 153 I CG1 . 16555 1 97 . 1 1 10 10 ILE CG2 C 13 16.726 0.000 0.1 1 . . . . 153 I CG2 . 16555 1 98 . 1 1 10 10 ILE N N 15 122.059 0.000 0.1 1 . . . . 153 I N . 16555 1 99 . 1 1 11 11 ARG H H 1 8.308 0.000 0.01 1 . . . . 154 R HN . 16555 1 100 . 1 1 11 11 ARG HA H 1 4.930 0.000 0.01 1 . . . . 154 R HA . 16555 1 101 . 1 1 11 11 ARG HB2 H 1 1.825 0.000 0.01 1 . . . . 154 R HB1 . 16555 1 102 . 1 1 11 11 ARG HB3 H 1 1.654 0.000 0.01 2 . . . . 154 R HB2 . 16555 1 103 . 1 1 11 11 ARG HD2 H 1 3.236 0.000 0.01 1 . . . . 154 R HD1 . 16555 1 104 . 1 1 11 11 ARG HD3 H 1 3.207 0.000 0.01 2 . . . . 154 R HD2 . 16555 1 105 . 1 1 11 11 ARG HG2 H 1 1.517 0.000 0.01 1 . . . . 154 R HG1 . 16555 1 106 . 1 1 11 11 ARG CA C 13 53.999 0.000 0.1 1 . . . . 154 R CA . 16555 1 107 . 1 1 11 11 ARG CB C 13 32.922 0.000 0.1 1 . . . . 154 R CB . 16555 1 108 . 1 1 11 11 ARG CD C 13 43.012 0.000 0.1 1 . . . . 154 R CD . 16555 1 109 . 1 1 11 11 ARG CG C 13 26.812 0.000 0.1 1 . . . . 154 R CG . 16555 1 110 . 1 1 11 11 ARG N N 15 125.222 0.000 0.1 1 . . . . 154 R N . 16555 1 111 . 1 1 12 12 GLN H H 1 7.795 0.000 0.01 1 . . . . 155 Q HN . 16555 1 112 . 1 1 12 12 GLN HA H 1 3.895 0.000 0.01 1 . . . . 155 Q HA . 16555 1 113 . 1 1 12 12 GLN HB2 H 1 0.072 0.000 0.01 1 . . . . 155 Q HB1 . 16555 1 114 . 1 1 12 12 GLN HE21 H 1 7.616 0.000 0.01 2 . . . . 155 Q HE21 . 16555 1 115 . 1 1 12 12 GLN HE22 H 1 6.730 0.000 0.01 2 . . . . 155 Q HE22 . 16555 1 116 . 1 1 12 12 GLN HG2 H 1 3.212 0.000 0.01 1 . . . . 155 Q HG1 . 16555 1 117 . 1 1 12 12 GLN HG3 H 1 1.810 0.000 0.01 2 . . . . 155 Q HG2 . 16555 1 118 . 1 1 12 12 GLN CA C 13 55.815 0.000 0.1 1 . . . . 155 Q CA . 16555 1 119 . 1 1 12 12 GLN CB C 13 27.280 0.000 0.1 1 . . . . 155 Q CB . 16555 1 120 . 1 1 12 12 GLN CG C 13 32.559 0.000 0.1 1 . . . . 155 Q CG . 16555 1 121 . 1 1 12 12 GLN N N 15 127.507 0.000 0.1 1 . . . . 155 Q N . 16555 1 122 . 1 1 12 12 GLN NE2 N 15 107.954 0.000 0.1 1 . . . . 155 Q NE2 . 16555 1 123 . 1 1 13 13 GLY H H 1 9.897 0.000 0.01 1 . . . . 156 G HN . 16555 1 124 . 1 1 13 13 GLY HA2 H 1 4.004 0.000 0.01 1 . . . . 156 G HA1 . 16555 1 125 . 1 1 13 13 GLY HA3 H 1 4.408 0.000 0.01 2 . . . . 156 G HA2 . 16555 1 126 . 1 1 13 13 GLY CA C 13 44.889 0.000 0.1 1 . . . . 156 G CA . 16555 1 127 . 1 1 13 13 GLY N N 15 116.784 0.000 0.1 1 . . . . 156 G N . 16555 1 128 . 1 1 14 14 PRO HA H 1 4.281 0.000 0.01 1 . . . . 157 P HA . 16555 1 129 . 1 1 14 14 PRO HB2 H 1 2.017 0.000 0.01 1 . . . . 157 P HB1 . 16555 1 130 . 1 1 14 14 PRO HB3 H 1 2.479 0.000 0.01 2 . . . . 157 P HB2 . 16555 1 131 . 1 1 14 14 PRO HD2 H 1 3.811 0.000 0.01 1 . . . . 157 P HD1 . 16555 1 132 . 1 1 14 14 PRO HD3 H 1 3.857 0.000 0.01 2 . . . . 157 P HD2 . 16555 1 133 . 1 1 14 14 PRO HG2 H 1 2.180 0.000 0.01 1 . . . . 157 P HG1 . 16555 1 134 . 1 1 14 14 PRO HG3 H 1 2.110 0.000 0.01 2 . . . . 157 P HG2 . 16555 1 135 . 1 1 14 14 PRO CA C 13 65.684 0.000 0.1 1 . . . . 157 P CA . 16555 1 136 . 1 1 14 14 PRO CB C 13 31.898 0.000 0.1 1 . . . . 157 P CB . 16555 1 137 . 1 1 14 14 PRO CD C 13 50.246 0.000 0.1 1 . . . . 157 P CD . 16555 1 138 . 1 1 14 14 PRO CG C 13 27.571 0.000 0.1 1 . . . . 157 P CG . 16555 1 139 . 1 1 15 15 LYS H H 1 8.566 0.000 0.01 1 . . . . 158 K HN . 16555 1 140 . 1 1 15 15 LYS HA H 1 4.569 0.000 0.01 1 . . . . 158 K HA . 16555 1 141 . 1 1 15 15 LYS HB2 H 1 1.603 0.000 0.01 1 . . . . 158 K HB1 . 16555 1 142 . 1 1 15 15 LYS HB3 H 1 2.122 0.000 0.01 2 . . . . 158 K HB2 . 16555 1 143 . 1 1 15 15 LYS HD2 H 1 1.367 0.000 0.01 1 . . . . 158 K HD1 . 16555 1 144 . 1 1 15 15 LYS HE2 H 1 2.988 0.000 0.01 1 . . . . 158 K HE1 . 16555 1 145 . 1 1 15 15 LYS HG2 H 1 1.633 0.000 0.01 1 . . . . 158 K HG1 . 16555 1 146 . 1 1 15 15 LYS HG3 H 1 1.719 0.000 0.01 2 . . . . 158 K HG2 . 16555 1 147 . 1 1 15 15 LYS CA C 13 53.923 0.000 0.1 1 . . . . 158 K CA . 16555 1 148 . 1 1 15 15 LYS CB C 13 32.320 0.000 0.1 1 . . . . 158 K CB . 16555 1 149 . 1 1 15 15 LYS CD C 13 24.570 0.000 0.1 1 . . . . 158 K CD . 16555 1 150 . 1 1 15 15 LYS CE C 13 41.986 0.000 0.1 1 . . . . 158 K CE . 16555 1 151 . 1 1 15 15 LYS CG C 13 28.803 0.000 0.1 1 . . . . 158 K CG . 16555 1 152 . 1 1 15 15 LYS N N 15 114.954 0.000 0.1 1 . . . . 158 K N . 16555 1 153 . 1 1 16 16 GLU H H 1 7.042 0.000 0.01 1 . . . . 159 E HN . 16555 1 154 . 1 1 16 16 GLU HA H 1 4.595 0.000 0.01 1 . . . . 159 E HA . 16555 1 155 . 1 1 16 16 GLU HB2 H 1 1.838 0.000 0.01 1 . . . . 159 E HB1 . 16555 1 156 . 1 1 16 16 GLU HB3 H 1 2.265 0.000 0.01 2 . . . . 159 E HB2 . 16555 1 157 . 1 1 16 16 GLU HG2 H 1 2.376 0.000 0.01 1 . . . . 159 E HG1 . 16555 1 158 . 1 1 16 16 GLU HG3 H 1 2.657 0.000 0.01 2 . . . . 159 E HG2 . 16555 1 159 . 1 1 16 16 GLU CA C 13 53.462 0.000 0.1 1 . . . . 159 E CA . 16555 1 160 . 1 1 16 16 GLU CB C 13 31.87 0.000 0.1 1 . . . . 159 E CB . 16555 1 161 . 1 1 16 16 GLU CG C 13 34.484 0.000 0.1 1 . . . . 159 E CG . 16555 1 162 . 1 1 16 16 GLU N N 15 125.624 0.000 0.1 1 . . . . 159 E N . 16555 1 163 . 1 1 17 17 PRO HA H 1 4.437 0.000 0.01 1 . . . . 160 P HA . 16555 1 164 . 1 1 17 17 PRO HB2 H 1 2.381 0.000 0.01 1 . . . . 160 P HB1 . 16555 1 165 . 1 1 17 17 PRO HB3 H 1 2.132 0.000 0.01 2 . . . . 160 P HB2 . 16555 1 166 . 1 1 17 17 PRO HD2 H 1 3.607 0.000 0.01 1 . . . . 160 P HD1 . 16555 1 167 . 1 1 17 17 PRO HD3 H 1 3.564 0.000 0.01 2 . . . . 160 P HD2 . 16555 1 168 . 1 1 17 17 PRO HG2 H 1 1.974 0.000 0.01 1 . . . . 160 P HG1 . 16555 1 169 . 1 1 17 17 PRO HG3 H 1 1.854 0.000 0.01 2 . . . . 160 P HG2 . 16555 1 170 . 1 1 17 17 PRO CA C 13 63.353 0.000 0.1 1 . . . . 160 P CA . 16555 1 171 . 1 1 17 17 PRO CB C 13 32.700 0.000 0.1 1 . . . . 160 P CB . 16555 1 172 . 1 1 17 17 PRO CD C 13 51.557 0.000 0.1 1 . . . . 160 P CD . 16555 1 173 . 1 1 18 18 PHE H H 1 9.529 0.000 0.01 1 . . . . 161 F HN . 16555 1 174 . 1 1 18 18 PHE HA H 1 4.460 0.000 0.01 1 . . . . 161 F HA . 16555 1 175 . 1 1 18 18 PHE HB2 H 1 3.019 0.000 0.01 1 . . . . 161 F HB1 . 16555 1 176 . 1 1 18 18 PHE HB3 H 1 3.571 0.000 0.01 2 . . . . 161 F HB2 . 16555 1 177 . 1 1 18 18 PHE HD1 H 1 7.364 0.000 0.01 3 . . . . 161 F HD1 . 16555 1 178 . 1 1 18 18 PHE HE1 H 1 7.006 0.000 0.01 3 . . . . 161 F HE1 . 16555 1 179 . 1 1 18 18 PHE HZ H 1 6.934 0.000 0.01 1 . . . . 161 F HZ . 16555 1 180 . 1 1 18 18 PHE CA C 13 63.387 0.000 0.1 1 . . . . 161 F CA . 16555 1 181 . 1 1 18 18 PHE CB C 13 39.262 0.000 0.1 1 . . . . 161 F CB . 16555 1 182 . 1 1 18 18 PHE CD1 C 13 132.268 0.000 0.1 3 . . . . 161 F CD1 . 16555 1 183 . 1 1 18 18 PHE CE1 C 13 131.077 0.000 0.1 3 . . . . 161 F CE1 . 16555 1 184 . 1 1 18 18 PHE N N 15 128.271 0.000 0.1 1 . . . . 161 F N . 16555 1 185 . 1 1 19 19 ARG H H 1 9.087 0.000 0.01 1 . . . . 162 R HN . 16555 1 186 . 1 1 19 19 ARG HA H 1 3.731 0.000 0.01 1 . . . . 162 R HA . 16555 1 187 . 1 1 19 19 ARG HB2 H 1 1.739 0.000 0.01 1 . . . . 162 R HB1 . 16555 1 188 . 1 1 19 19 ARG HB3 H 1 1.955 0.000 0.01 2 . . . . 162 R HB2 . 16555 1 189 . 1 1 19 19 ARG HD2 H 1 3.191 0.000 0.01 1 . . . . 162 R HD1 . 16555 1 190 . 1 1 19 19 ARG HD3 H 1 3.262 0.000 0.01 2 . . . . 162 R HD2 . 16555 1 191 . 1 1 19 19 ARG HE H 1 7.340 0.000 0.01 1 . . . . 162 R HE . 16555 1 192 . 1 1 19 19 ARG HG2 H 1 1.719 0.000 0.01 1 . . . . 162 R HG1 . 16555 1 193 . 1 1 19 19 ARG HG3 H 1 1.758 0.000 0.01 2 . . . . 162 R HG2 . 16555 1 194 . 1 1 19 19 ARG CA C 13 59.816 0.000 0.1 1 . . . . 162 R CA . 16555 1 195 . 1 1 19 19 ARG CB C 13 29.920 0.000 0.1 1 . . . . 162 R CB . 16555 1 196 . 1 1 19 19 ARG CD C 13 43.206 0.000 0.1 1 . . . . 162 R CD . 16555 1 197 . 1 1 19 19 ARG CG C 13 27.280 0.000 0.1 1 . . . . 162 R CG . 16555 1 198 . 1 1 19 19 ARG N N 15 115.694 0.000 0.1 1 . . . . 162 R N . 16555 1 199 . 1 1 19 19 ARG NE N 15 84.700 0.000 0.1 1 . . . . 162 R NE . 16555 1 200 . 1 1 20 20 ASP H H 1 6.985 0.000 0.01 1 . . . . 163 D HN . 16555 1 201 . 1 1 20 20 ASP HA H 1 4.444 0.000 0.01 1 . . . . 163 D HA . 16555 1 202 . 1 1 20 20 ASP HB2 H 1 2.905 0.000 0.01 1 . . . . 163 D HB1 . 16555 1 203 . 1 1 20 20 ASP CA C 13 57.001 0.000 0.1 1 . . . . 163 D CA . 16555 1 204 . 1 1 20 20 ASP CB C 13 39.770 0.000 0.1 1 . . . . 163 D CB . 16555 1 205 . 1 1 20 20 ASP N N 15 118.950 0.000 0.1 1 . . . . 163 D N . 16555 1 206 . 1 1 21 21 TYR H H 1 7.548 0.000 0.01 1 . . . . 164 Y HN . 16555 1 207 . 1 1 21 21 TYR HA H 1 4.390 0.000 0.01 1 . . . . 164 Y HA . 16555 1 208 . 1 1 21 21 TYR HB2 H 1 2.869 0.000 0.01 1 . . . . 164 Y HB1 . 16555 1 209 . 1 1 21 21 TYR HB3 H 1 3.208 0.000 0.01 2 . . . . 164 Y HB2 . 16555 1 210 . 1 1 21 21 TYR HD1 H 1 6.940 0.000 0.01 3 . . . . 164 Y HD1 . 16555 1 211 . 1 1 21 21 TYR HE1 H 1 6.449 0.000 0.01 3 . . . . 164 Y HE1 . 16555 1 212 . 1 1 21 21 TYR HH H 1 9.233 0.000 0.01 1 . . . . 164 Y HH . 16555 1 213 . 1 1 21 21 TYR CA C 13 59.495 0.000 0.1 1 . . . . 164 Y CA . 16555 1 214 . 1 1 21 21 TYR CB C 13 38.165 0.000 0.1 1 . . . . 164 Y CB . 16555 1 215 . 1 1 21 21 TYR CD1 C 13 133.754 0.000 0.1 3 . . . . 164 Y CD1 . 16555 1 216 . 1 1 21 21 TYR CE1 C 13 116.032 0.000 0.1 3 . . . . 164 Y CE1 . 16555 1 217 . 1 1 21 21 TYR N N 15 124.243 0.000 0.1 1 . . . . 164 Y N . 16555 1 218 . 1 1 22 22 VAL H H 1 8.352 0.000 0.01 1 . . . . 165 V HN . 16555 1 219 . 1 1 22 22 VAL HA H 1 2.780 0.000 0.01 1 . . . . 165 V HA . 16555 1 220 . 1 1 22 22 VAL HB H 1 1.773 0.000 0.01 1 . . . . 165 V HB . 16555 1 221 . 1 1 22 22 VAL HG11 H 1 0.811 0.000 0.01 2 . . . . 165 V HG11 . 16555 1 222 . 1 1 22 22 VAL HG12 H 1 0.811 0.000 0.01 2 . . . . 165 V HG11 . 16555 1 223 . 1 1 22 22 VAL HG13 H 1 0.811 0.000 0.01 2 . . . . 165 V HG11 . 16555 1 224 . 1 1 22 22 VAL HG21 H 1 0.181 0.000 0.01 2 . . . . 165 V HG21 . 16555 1 225 . 1 1 22 22 VAL HG22 H 1 0.181 0.000 0.01 2 . . . . 165 V HG21 . 16555 1 226 . 1 1 22 22 VAL HG23 H 1 0.181 0.000 0.01 2 . . . . 165 V HG21 . 16555 1 227 . 1 1 22 22 VAL CA C 13 66.685 0.000 0.1 1 . . . . 165 V CA . 16555 1 228 . 1 1 22 22 VAL CB C 13 31.349 0.000 0.1 1 . . . . 165 V CB . 16555 1 229 . 1 1 22 22 VAL CG1 C 13 22.188 0.000 0.1 2 . . . . 165 V CG1 . 16555 1 230 . 1 1 22 22 VAL CG2 C 13 24.007 0.000 0.1 2 . . . . 165 V CG2 . 16555 1 231 . 1 1 22 22 VAL N N 15 120.217 0.000 0.1 1 . . . . 165 V N . 16555 1 232 . 1 1 23 23 ASP H H 1 7.594 0.000 0.01 1 . . . . 166 D HN . 16555 1 233 . 1 1 23 23 ASP HA H 1 4.445 0.000 0.01 1 . . . . 166 D HA . 16555 1 234 . 1 1 23 23 ASP HB2 H 1 2.838 0.000 0.01 1 . . . . 166 D HB1 . 16555 1 235 . 1 1 23 23 ASP HB3 H 1 2.729 0.000 0.01 2 . . . . 166 D HB2 . 16555 1 236 . 1 1 23 23 ASP CA C 13 57.772 0.000 0.1 1 . . . . 166 D CA . 16555 1 237 . 1 1 23 23 ASP CB C 13 40.945 0.000 0.1 1 . . . . 166 D CB . 16555 1 238 . 1 1 23 23 ASP N N 15 118.227 0.000 0.1 1 . . . . 166 D N . 16555 1 239 . 1 1 24 24 ARG H H 1 7.876 0.000 0.01 1 . . . . 167 R HN . 16555 1 240 . 1 1 24 24 ARG HA H 1 4.069 0.000 0.01 1 . . . . 167 R HA . 16555 1 241 . 1 1 24 24 ARG HB2 H 1 2.095 0.000 0.01 1 . . . . 167 R HB1 . 16555 1 242 . 1 1 24 24 ARG HB3 H 1 1.841 0.000 0.01 2 . . . . 167 R HB2 . 16555 1 243 . 1 1 24 24 ARG HD2 H 1 3.396 0.000 0.01 1 . . . . 167 R HD1 . 16555 1 244 . 1 1 24 24 ARG HD3 H 1 3.284 0.000 0.01 2 . . . . 167 R HD2 . 16555 1 245 . 1 1 24 24 ARG HE H 1 9.452 0.000 0.01 1 . . . . 167 R HE . 16555 1 246 . 1 1 24 24 ARG HG2 H 1 1.631 0.000 0.01 1 . . . . 167 R HG1 . 16555 1 247 . 1 1 24 24 ARG HG3 H 1 1.983 0.000 0.01 2 . . . . 167 R HG2 . 16555 1 248 . 1 1 24 24 ARG CA C 13 60.108 0.000 0.1 1 . . . . 167 R CA . 16555 1 249 . 1 1 24 24 ARG CB C 13 30.525 0.000 0.1 1 . . . . 167 R CB . 16555 1 250 . 1 1 24 24 ARG CD C 13 43.300 0.000 0.1 1 . . . . 167 R CD . 16555 1 251 . 1 1 24 24 ARG CG C 13 29.000 0.000 0.1 1 . . . . 167 R CG . 16555 1 252 . 1 1 24 24 ARG N N 15 119.139 0.000 0.1 1 . . . . 167 R N . 16555 1 253 . 1 1 24 24 ARG NE N 15 85.365 0.000 0.1 1 . . . . 167 R NE . 16555 1 254 . 1 1 25 25 PHE H H 1 9.108 0.000 0.01 1 . . . . 168 F HN . 16555 1 255 . 1 1 25 25 PHE HA H 1 3.636 0.000 0.01 1 . . . . 168 F HA . 16555 1 256 . 1 1 25 25 PHE HB2 H 1 2.293 0.000 0.01 1 . . . . 168 F HB1 . 16555 1 257 . 1 1 25 25 PHE HB3 H 1 2.978 0.000 0.01 2 . . . . 168 F HB2 . 16555 1 258 . 1 1 25 25 PHE HD1 H 1 6.561 0.000 0.01 3 . . . . 168 F HD1 . 16555 1 259 . 1 1 25 25 PHE HE1 H 1 6.862 0.000 0.01 3 . . . . 168 F HE1 . 16555 1 260 . 1 1 25 25 PHE HZ H 1 6.540 0.000 0.01 1 . . . . 168 F HZ . 16555 1 261 . 1 1 25 25 PHE CA C 13 62.488 0.000 0.1 1 . . . . 168 F CA . 16555 1 262 . 1 1 25 25 PHE CB C 13 39.028 0.000 0.1 1 . . . . 168 F CB . 16555 1 263 . 1 1 25 25 PHE CD1 C 13 132.277 0.000 0.1 3 . . . . 168 F CD1 . 16555 1 264 . 1 1 25 25 PHE CE1 C 13 130.561 0.000 0.1 3 . . . . 168 F CE1 . 16555 1 265 . 1 1 25 25 PHE CZ C 13 128.936 0.000 0.1 1 . . . . 168 F CZ . 16555 1 266 . 1 1 25 25 PHE N N 15 124.237 0.000 0.1 1 . . . . 168 F N . 16555 1 267 . 1 1 26 26 TYR H H 1 9.097 0.000 0.01 1 . . . . 169 Y HN . 16555 1 268 . 1 1 26 26 TYR HA H 1 4.019 0.000 0.01 1 . . . . 169 Y HA . 16555 1 269 . 1 1 26 26 TYR HB2 H 1 3.114 0.000 0.01 1 . . . . 169 Y HB1 . 16555 1 270 . 1 1 26 26 TYR HB3 H 1 2.943 0.000 0.01 2 . . . . 169 Y HB2 . 16555 1 271 . 1 1 26 26 TYR HD1 H 1 7.381 0.000 0.01 3 . . . . 169 Y HD1 . 16555 1 272 . 1 1 26 26 TYR HE1 H 1 6.691 0.000 0.01 3 . . . . 169 Y HE1 . 16555 1 273 . 1 1 26 26 TYR CA C 13 63.234 0.000 0.1 1 . . . . 169 Y CA . 16555 1 274 . 1 1 26 26 TYR CB C 13 37.343 0.000 0.1 1 . . . . 169 Y CB . 16555 1 275 . 1 1 26 26 TYR CD1 C 13 132.724 0.000 0.1 3 . . . . 169 Y CD1 . 16555 1 276 . 1 1 26 26 TYR CE1 C 13 118.260 0.000 0.1 3 . . . . 169 Y CE1 . 16555 1 277 . 1 1 26 26 TYR N N 15 117.738 0.000 0.1 1 . . . . 169 Y N . 16555 1 278 . 1 1 27 27 LYS H H 1 8.225 0.000 0.01 1 . . . . 170 K HN . 16555 1 279 . 1 1 27 27 LYS HA H 1 4.004 0.000 0.01 1 . . . . 170 K HA . 16555 1 280 . 1 1 27 27 LYS HB2 H 1 1.943 0.000 0.01 1 . . . . 170 K HB1 . 16555 1 281 . 1 1 27 27 LYS HB3 H 1 1.882 0.000 0.01 2 . . . . 170 K HB2 . 16555 1 282 . 1 1 27 27 LYS HE2 H 1 2.953 0.000 0.01 1 . . . . 170 K HE1 . 16555 1 283 . 1 1 27 27 LYS HG2 H 1 1.574 0.000 0.01 1 . . . . 170 K HG1 . 16555 1 284 . 1 1 27 27 LYS HG3 H 1 1.400 0.000 0.01 2 . . . . 170 K HG2 . 16555 1 285 . 1 1 27 27 LYS CA C 13 60.184 0.000 0.1 1 . . . . 170 K CA . 16555 1 286 . 1 1 27 27 LYS CB C 13 32.266 0.000 0.1 1 . . . . 170 K CB . 16555 1 287 . 1 1 27 27 LYS CE C 13 41.870 0.000 0.1 1 . . . . 170 K CE . 16555 1 288 . 1 1 27 27 LYS CG C 13 25.622 0.000 0.1 1 . . . . 170 K CG . 16555 1 289 . 1 1 27 27 LYS N N 15 120.738 0.000 0.1 1 . . . . 170 K N . 16555 1 290 . 1 1 28 28 THR H H 1 7.615 0.000 0.01 1 . . . . 171 T HN . 16555 1 291 . 1 1 28 28 THR HA H 1 3.882 0.000 0.01 1 . . . . 171 T HA . 16555 1 292 . 1 1 28 28 THR HB H 1 3.967 0.000 0.01 1 . . . . 171 T HB . 16555 1 293 . 1 1 28 28 THR HG21 H 1 1.004 0.000 0.01 1 . . . . 171 T HG21 . 16555 1 294 . 1 1 28 28 THR HG22 H 1 1.004 0.000 0.01 1 . . . . 171 T HG21 . 16555 1 295 . 1 1 28 28 THR HG23 H 1 1.004 0.000 0.01 1 . . . . 171 T HG21 . 16555 1 296 . 1 1 28 28 THR CA C 13 67.117 0.000 0.1 1 . . . . 171 T CA . 16555 1 297 . 1 1 28 28 THR CB C 13 68.165 0.000 0.1 1 . . . . 171 T CB . 16555 1 298 . 1 1 28 28 THR CG2 C 13 21.489 0.000 0.1 1 . . . . 171 T CG2 . 16555 1 299 . 1 1 28 28 THR N N 15 117.515 0.000 0.1 1 . . . . 171 T N . 16555 1 300 . 1 1 29 29 LEU H H 1 8.611 0.000 0.01 1 . . . . 172 L HN . 16555 1 301 . 1 1 29 29 LEU HA H 1 3.606 0.000 0.01 1 . . . . 172 L HA . 16555 1 302 . 1 1 29 29 LEU HB2 H 1 1.146 0.000 0.01 1 . . . . 172 L HB1 . 16555 1 303 . 1 1 29 29 LEU HB3 H 1 1.707 0.000 0.01 2 . . . . 172 L HB2 . 16555 1 304 . 1 1 29 29 LEU HD11 H 1 0.689 0.000 0.01 2 . . . . 172 L HD11 . 16555 1 305 . 1 1 29 29 LEU HD12 H 1 0.689 0.000 0.01 2 . . . . 172 L HD11 . 16555 1 306 . 1 1 29 29 LEU HD13 H 1 0.689 0.000 0.01 2 . . . . 172 L HD11 . 16555 1 307 . 1 1 29 29 LEU HD21 H 1 0.697 0.000 0.01 2 . . . . 172 L HD21 . 16555 1 308 . 1 1 29 29 LEU HD22 H 1 0.697 0.000 0.01 2 . . . . 172 L HD21 . 16555 1 309 . 1 1 29 29 LEU HD23 H 1 0.697 0.000 0.01 2 . . . . 172 L HD21 . 16555 1 310 . 1 1 29 29 LEU HG H 1 1.453 0.000 0.01 1 . . . . 172 L HG . 16555 1 311 . 1 1 29 29 LEU CA C 13 57.840 0.000 0.1 1 . . . . 172 L CA . 16555 1 312 . 1 1 29 29 LEU CB C 13 42.543 0.000 0.1 1 . . . . 172 L CB . 16555 1 313 . 1 1 29 29 LEU CD1 C 13 25.746 0.000 0.1 2 . . . . 172 L CD1 . 16555 1 314 . 1 1 29 29 LEU CD2 C 13 26.645 0.000 0.1 2 . . . . 172 L CD2 . 16555 1 315 . 1 1 29 29 LEU CG C 13 26.305 0.000 0.1 1 . . . . 172 L CG . 16555 1 316 . 1 1 29 29 LEU N N 15 124.197 0.000 0.1 1 . . . . 172 L N . 16555 1 317 . 1 1 30 30 ARG H H 1 7.755 0.000 0.01 1 . . . . 173 R HN . 16555 1 318 . 1 1 30 30 ARG HA H 1 4.012 0.000 0.01 1 . . . . 173 R HA . 16555 1 319 . 1 1 30 30 ARG HB2 H 1 1.923 0.000 0.01 1 . . . . 173 R HB1 . 16555 1 320 . 1 1 30 30 ARG HB3 H 1 1.724 0.000 0.01 2 . . . . 173 R HB2 . 16555 1 321 . 1 1 30 30 ARG HD2 H 1 3.219 0.000 0.01 1 . . . . 173 R HD1 . 16555 1 322 . 1 1 30 30 ARG HD3 H 1 3.257 0.000 0.01 2 . . . . 173 R HD2 . 16555 1 323 . 1 1 30 30 ARG HE H 1 7.155 0.000 0.01 1 . . . . 173 R HE . 16555 1 324 . 1 1 30 30 ARG CA C 13 59.091 0.000 0.1 1 . . . . 173 R CA . 16555 1 325 . 1 1 30 30 ARG CB C 13 29.940 0.000 0.1 1 . . . . 173 R CB . 16555 1 326 . 1 1 30 30 ARG CD C 13 43.541 0.000 0.1 1 . . . . 173 R CD . 16555 1 327 . 1 1 30 30 ARG N N 15 116.215 0.000 0.1 1 . . . . 173 R N . 16555 1 328 . 1 1 30 30 ARG NE N 15 84.650 0.000 0.1 1 . . . . 173 R NE . 16555 1 329 . 1 1 31 31 ALA H H 1 7.138 0.000 0.01 1 . . . . 174 A HN . 16555 1 330 . 1 1 31 31 ALA HA H 1 4.357 0.000 0.01 1 . . . . 174 A HA . 16555 1 331 . 1 1 31 31 ALA HB1 H 1 1.491 0.000 0.01 1 . . . . 174 A HB1 . 16555 1 332 . 1 1 31 31 ALA HB2 H 1 1.491 0.000 0.01 1 . . . . 174 A HB1 . 16555 1 333 . 1 1 31 31 ALA HB3 H 1 1.491 0.000 0.01 1 . . . . 174 A HB1 . 16555 1 334 . 1 1 31 31 ALA CA C 13 52.107 0.000 0.1 1 . . . . 174 A CA . 16555 1 335 . 1 1 31 31 ALA CB C 13 19.291 0.000 0.1 1 . . . . 174 A CB . 16555 1 336 . 1 1 31 31 ALA N N 15 118.911 0.000 0.1 1 . . . . 174 A N . 16555 1 337 . 1 1 32 32 GLU H H 1 7.453 0.000 0.01 1 . . . . 175 E HN . 16555 1 338 . 1 1 32 32 GLU HA H 1 4.077 0.000 0.01 1 . . . . 175 E HA . 16555 1 339 . 1 1 32 32 GLU HB2 H 1 1.994 0.000 0.01 1 . . . . 175 E HB1 . 16555 1 340 . 1 1 32 32 GLU HG2 H 1 2.366 0.000 0.01 1 . . . . 175 E HG1 . 16555 1 341 . 1 1 32 32 GLU HG3 H 1 2.108 0.000 0.01 2 . . . . 175 E HG2 . 16555 1 342 . 1 1 32 32 GLU CA C 13 56.736 0.000 0.1 1 . . . . 175 E CA . 16555 1 343 . 1 1 32 32 GLU CB C 13 30.190 0.000 0.1 1 . . . . 175 E CB . 16555 1 344 . 1 1 32 32 GLU N N 15 120.518 0.000 0.1 1 . . . . 175 E N . 16555 1 345 . 1 1 33 33 GLN H H 1 8.819 0.000 0.01 1 . . . . 176 Q HN . 16555 1 346 . 1 1 33 33 GLN HA H 1 4.467 0.000 0.01 1 . . . . 176 Q HA . 16555 1 347 . 1 1 33 33 GLN HB2 H 1 2.038 0.000 0.01 1 . . . . 176 Q HB1 . 16555 1 348 . 1 1 33 33 GLN HB3 H 1 2.187 0.000 0.01 2 . . . . 176 Q HB2 . 16555 1 349 . 1 1 33 33 GLN HE21 H 1 7.465 0.000 0.01 2 . . . . 176 Q HE21 . 16555 1 350 . 1 1 33 33 GLN HE22 H 1 6.846 0.000 0.01 2 . . . . 176 Q HE22 . 16555 1 351 . 1 1 33 33 GLN HG2 H 1 2.363 0.000 0.01 1 . . . . 176 Q HG1 . 16555 1 352 . 1 1 33 33 GLN HG3 H 1 2.397 0.000 0.01 2 . . . . 176 Q HG2 . 16555 1 353 . 1 1 33 33 GLN CA C 13 54.909 0.000 0.1 1 . . . . 176 Q CA . 16555 1 354 . 1 1 33 33 GLN CB C 13 27.621 0.000 0.1 1 . . . . 176 Q CB . 16555 1 355 . 1 1 33 33 GLN CG C 13 33.554 0.000 0.1 1 . . . . 176 Q CG . 16555 1 356 . 1 1 33 33 GLN N N 15 123.933 0.000 0.1 1 . . . . 176 Q N . 16555 1 357 . 1 1 33 33 GLN NE2 N 15 112.672 0.000 0.1 1 . . . . 176 Q NE2 . 16555 1 358 . 1 1 34 34 ALA H H 1 7.610 0.000 0.01 1 . . . . 177 A HN . 16555 1 359 . 1 1 34 34 ALA HA H 1 4.536 0.000 0.01 1 . . . . 177 A HA . 16555 1 360 . 1 1 34 34 ALA HB1 H 1 1.208 0.000 0.01 1 . . . . 177 A HB1 . 16555 1 361 . 1 1 34 34 ALA HB2 H 1 1.208 0.000 0.01 1 . . . . 177 A HB1 . 16555 1 362 . 1 1 34 34 ALA HB3 H 1 1.208 0.000 0.01 1 . . . . 177 A HB1 . 16555 1 363 . 1 1 34 34 ALA CA C 13 51.066 0.000 0.1 1 . . . . 177 A CA . 16555 1 364 . 1 1 34 34 ALA CB C 13 20.821 0.000 0.1 1 . . . . 177 A CB . 16555 1 365 . 1 1 34 34 ALA N N 15 124.550 0.000 0.1 1 . . . . 177 A N . 16555 1 366 . 1 1 35 35 SER H H 1 8.659 0.000 0.01 1 . . . . 178 S HN . 16555 1 367 . 1 1 35 35 SER HA H 1 4.408 0.000 0.01 1 . . . . 178 S HA . 16555 1 368 . 1 1 35 35 SER HB2 H 1 4.071 0.000 0.01 1 . . . . 178 S HB1 . 16555 1 369 . 1 1 35 35 SER HB3 H 1 4.409 0.000 0.01 2 . . . . 178 S HB2 . 16555 1 370 . 1 1 35 35 SER CA C 13 57.391 0.000 0.1 1 . . . . 178 S CA . 16555 1 371 . 1 1 35 35 SER CB C 13 64.733 0.000 0.1 1 . . . . 178 S CB . 16555 1 372 . 1 1 35 35 SER N N 15 116.129 0.000 0.1 1 . . . . 178 S N . 16555 1 373 . 1 1 36 36 GLN H H 1 9.046 0.000 0.01 1 . . . . 179 Q HN . 16555 1 374 . 1 1 36 36 GLN HA H 1 3.859 0.000 0.01 1 . . . . 179 Q HA . 16555 1 375 . 1 1 36 36 GLN HB2 H 1 2.080 0.000 0.01 1 . . . . 179 Q HB1 . 16555 1 376 . 1 1 36 36 GLN HB3 H 1 2.240 0.000 0.01 2 . . . . 179 Q HB2 . 16555 1 377 . 1 1 36 36 GLN HE21 H 1 7.546 0.000 0.01 2 . . . . 179 Q HE21 . 16555 1 378 . 1 1 36 36 GLN HE22 H 1 7.034 0.000 0.01 2 . . . . 179 Q HE22 . 16555 1 379 . 1 1 36 36 GLN HG2 H 1 2.482 0.000 0.01 1 . . . . 179 Q HG1 . 16555 1 380 . 1 1 36 36 GLN HG3 H 1 2.420 0.000 0.01 2 . . . . 179 Q HG2 . 16555 1 381 . 1 1 36 36 GLN CA C 13 58.928 0.000 0.1 1 . . . . 179 Q CA . 16555 1 382 . 1 1 36 36 GLN CB C 13 27.966 0.000 0.1 1 . . . . 179 Q CB . 16555 1 383 . 1 1 36 36 GLN CG C 13 33.589 0.000 0.1 1 . . . . 179 Q CG . 16555 1 384 . 1 1 36 36 GLN N N 15 121.277 0.000 0.1 1 . . . . 179 Q N . 16555 1 385 . 1 1 36 36 GLN NE2 N 15 114.329 0.000 0.1 1 . . . . 179 Q NE2 . 16555 1 386 . 1 1 37 37 GLU H H 1 8.667 0.000 0.01 1 . . . . 180 E HN . 16555 1 387 . 1 1 37 37 GLU HA H 1 4.081 0.000 0.01 1 . . . . 180 E HA . 16555 1 388 . 1 1 37 37 GLU HB2 H 1 2.065 0.000 0.01 1 . . . . 180 E HB1 . 16555 1 389 . 1 1 37 37 GLU HB3 H 1 1.856 0.000 0.01 2 . . . . 180 E HB2 . 16555 1 390 . 1 1 37 37 GLU HG2 H 1 2.323 0.000 0.01 1 . . . . 180 E HG1 . 16555 1 391 . 1 1 37 37 GLU HG3 H 1 2.278 0.000 0.01 2 . . . . 180 E HG2 . 16555 1 392 . 1 1 37 37 GLU CA C 13 60.001 0.000 0.1 1 . . . . 180 E CA . 16555 1 393 . 1 1 37 37 GLU CB C 13 29.548 0.000 0.1 1 . . . . 180 E CB . 16555 1 394 . 1 1 37 37 GLU CG C 13 36.603 0.000 0.1 1 . . . . 180 E CG . 16555 1 395 . 1 1 37 37 GLU N N 15 118.270 0.000 0.1 1 . . . . 180 E N . 16555 1 396 . 1 1 38 38 VAL H H 1 7.349 0.000 0.01 1 . . . . 181 V HN . 16555 1 397 . 1 1 38 38 VAL HA H 1 3.563 0.000 0.01 1 . . . . 181 V HA . 16555 1 398 . 1 1 38 38 VAL HB H 1 2.001 0.000 0.01 1 . . . . 181 V HB . 16555 1 399 . 1 1 38 38 VAL HG11 H 1 0.822 0.000 0.01 2 . . . . 181 V HG11 . 16555 1 400 . 1 1 38 38 VAL HG12 H 1 0.822 0.000 0.01 2 . . . . 181 V HG11 . 16555 1 401 . 1 1 38 38 VAL HG13 H 1 0.822 0.000 0.01 2 . . . . 181 V HG11 . 16555 1 402 . 1 1 38 38 VAL HG21 H 1 -0.040 0.000 0.01 2 . . . . 181 V HG21 . 16555 1 403 . 1 1 38 38 VAL HG22 H 1 -0.040 0.000 0.01 2 . . . . 181 V HG21 . 16555 1 404 . 1 1 38 38 VAL HG23 H 1 -0.040 0.000 0.01 2 . . . . 181 V HG21 . 16555 1 405 . 1 1 38 38 VAL CA C 13 66.469 0.000 0.1 1 . . . . 181 V CA . 16555 1 406 . 1 1 38 38 VAL CB C 13 30.788 0.000 0.1 1 . . . . 181 V CB . 16555 1 407 . 1 1 38 38 VAL CG1 C 13 23.543 0.000 0.1 2 . . . . 181 V CG1 . 16555 1 408 . 1 1 38 38 VAL CG2 C 13 20.019 0.000 0.1 2 . . . . 181 V CG2 . 16555 1 409 . 1 1 38 38 VAL N N 15 120.988 0.000 0.1 1 . . . . 181 V N . 16555 1 410 . 1 1 39 39 LYS H H 1 8.658 0.000 0.01 1 . . . . 182 K HN . 16555 1 411 . 1 1 39 39 LYS HA H 1 4.055 0.000 0.01 1 . . . . 182 K HA . 16555 1 412 . 1 1 39 39 LYS HB2 H 1 1.500 0.000 0.01 1 . . . . 182 K HB1 . 16555 1 413 . 1 1 39 39 LYS HB3 H 1 1.565 0.000 0.01 2 . . . . 182 K HB2 . 16555 1 414 . 1 1 39 39 LYS HE2 H 1 3.003 0.000 0.01 1 . . . . 182 K HE1 . 16555 1 415 . 1 1 39 39 LYS HE3 H 1 2.861 0.000 0.01 2 . . . . 182 K HE2 . 16555 1 416 . 1 1 39 39 LYS HG2 H 1 1.531 0.000 0.01 1 . . . . 182 K HG1 . 16555 1 417 . 1 1 39 39 LYS HG3 H 1 1.732 0.000 0.01 2 . . . . 182 K HG2 . 16555 1 418 . 1 1 39 39 LYS CA C 13 60.664 0.000 0.1 1 . . . . 182 K CA . 16555 1 419 . 1 1 39 39 LYS CB C 13 32.030 0.000 0.1 1 . . . . 182 K CB . 16555 1 420 . 1 1 39 39 LYS N N 15 120.562 0.000 0.1 1 . . . . 182 K N . 16555 1 421 . 1 1 40 40 ASN H H 1 8.661 0.000 0.01 1 . . . . 183 N HN . 16555 1 422 . 1 1 40 40 ASN HA H 1 4.489 0.000 0.01 1 . . . . 183 N HA . 16555 1 423 . 1 1 40 40 ASN HB2 H 1 2.984 0.000 0.01 1 . . . . 183 N HB1 . 16555 1 424 . 1 1 40 40 ASN HD21 H 1 7.785 0.000 0.01 2 . . . . 183 N HD21 . 16555 1 425 . 1 1 40 40 ASN HD22 H 1 6.999 0.000 0.01 2 . . . . 183 N HD22 . 16555 1 426 . 1 1 40 40 ASN CA C 13 55.866 0.000 0.1 1 . . . . 183 N CA . 16555 1 427 . 1 1 40 40 ASN CB C 13 37.343 0.000 0.1 1 . . . . 183 N CB . 16555 1 428 . 1 1 40 40 ASN N N 15 119.246 0.000 0.1 1 . . . . 183 N N . 16555 1 429 . 1 1 40 40 ASN ND2 N 15 111.459 0.000 0.1 1 . . . . 183 N ND2 . 16555 1 430 . 1 1 41 41 TRP H H 1 7.679 0.000 0.01 1 . . . . 184 W HN . 16555 1 431 . 1 1 41 41 TRP HA H 1 4.298 0.000 0.01 1 . . . . 184 W HA . 16555 1 432 . 1 1 41 41 TRP HB2 H 1 3.354 0.000 0.01 1 . . . . 184 W HB1 . 16555 1 433 . 1 1 41 41 TRP HB3 H 1 3.602 0.000 0.01 2 . . . . 184 W HB2 . 16555 1 434 . 1 1 41 41 TRP HD1 H 1 7.438 0.000 0.01 1 . . . . 184 W HD1 . 16555 1 435 . 1 1 41 41 TRP HE1 H 1 10.552 0.000 0.01 1 . . . . 184 W HE1 . 16555 1 436 . 1 1 41 41 TRP HE3 H 1 7.146 0.000 0.01 1 . . . . 184 W HE3 . 16555 1 437 . 1 1 41 41 TRP HH2 H 1 6.982 0.000 0.01 1 . . . . 184 W HH2 . 16555 1 438 . 1 1 41 41 TRP HZ2 H 1 7.309 0.000 0.01 1 . . . . 184 W HZ2 . 16555 1 439 . 1 1 41 41 TRP HZ3 H 1 6.652 0.000 0.01 1 . . . . 184 W HZ3 . 16555 1 440 . 1 1 41 41 TRP CA C 13 62.154 0.000 0.1 1 . . . . 184 W CA . 16555 1 441 . 1 1 41 41 TRP CB C 13 28.428 0.000 0.1 1 . . . . 184 W CB . 16555 1 442 . 1 1 41 41 TRP CD1 C 13 126.932 0.000 0.1 1 . . . . 184 W CD1 . 16555 1 443 . 1 1 41 41 TRP CE3 C 13 119.782 0.000 0.1 1 . . . . 184 W CE3 . 16555 1 444 . 1 1 41 41 TRP CH2 C 13 122.484 0.000 0.1 1 . . . . 184 W CH2 . 16555 1 445 . 1 1 41 41 TRP CZ2 C 13 114.629 0.000 0.1 1 . . . . 184 W CZ2 . 16555 1 446 . 1 1 41 41 TRP CZ3 C 13 121.319 0.000 0.1 1 . . . . 184 W CZ3 . 16555 1 447 . 1 1 41 41 TRP N N 15 122.953 0.000 0.1 1 . . . . 184 W N . 16555 1 448 . 1 1 41 41 TRP NE1 N 15 130.469 0.000 0.1 1 . . . . 184 W NE1 . 16555 1 449 . 1 1 42 42 MET H H 1 9.080 0.000 0.01 1 . . . . 185 M HN . 16555 1 450 . 1 1 42 42 MET HA H 1 3.452 0.000 0.01 1 . . . . 185 M HA . 16555 1 451 . 1 1 42 42 MET HB2 H 1 3.003 0.000 0.01 2 . . . . 185 M HB2 . 16555 1 452 . 1 1 42 42 MET HE1 H 1 1.408 0.000 0.01 1 . . . . 185 M HE1 . 16555 1 453 . 1 1 42 42 MET HE2 H 1 1.408 0.000 0.01 1 . . . . 185 M HE1 . 16555 1 454 . 1 1 42 42 MET HE3 H 1 1.408 0.000 0.01 1 . . . . 185 M HE1 . 16555 1 455 . 1 1 42 42 MET HG2 H 1 2.390 0.000 0.01 2 . . . . 185 M HG2 . 16555 1 456 . 1 1 42 42 MET CA C 13 60.108 0.000 0.1 1 . . . . 185 M CA . 16555 1 457 . 1 1 42 42 MET N N 15 120.415 0.000 0.1 1 . . . . 185 M N . 16555 1 458 . 1 1 43 43 THR H H 1 8.174 0.000 0.01 1 . . . . 186 T HN . 16555 1 459 . 1 1 43 43 THR HA H 1 3.809 0.000 0.01 1 . . . . 186 T HA . 16555 1 460 . 1 1 43 43 THR HB H 1 4.387 0.000 0.01 1 . . . . 186 T HB . 16555 1 461 . 1 1 43 43 THR HG21 H 1 1.244 0.000 0.01 1 . . . . 186 T HG21 . 16555 1 462 . 1 1 43 43 THR HG22 H 1 1.244 0.000 0.01 1 . . . . 186 T HG21 . 16555 1 463 . 1 1 43 43 THR HG23 H 1 1.244 0.000 0.01 1 . . . . 186 T HG21 . 16555 1 464 . 1 1 43 43 THR CA C 13 66.416 0.000 0.1 1 . . . . 186 T CA . 16555 1 465 . 1 1 43 43 THR CB C 13 68.708 0.000 0.1 1 . . . . 186 T CB . 16555 1 466 . 1 1 43 43 THR CG2 C 13 22.657 0.000 0.1 1 . . . . 186 T CG2 . 16555 1 467 . 1 1 43 43 THR N N 15 112.364 0.000 0.1 1 . . . . 186 T N . 16555 1 468 . 1 1 44 44 GLU H H 1 7.720 0.000 0.01 1 . . . . 187 E HN . 16555 1 469 . 1 1 44 44 GLU HA H 1 4.075 0.000 0.01 1 . . . . 187 E HA . 16555 1 470 . 1 1 44 44 GLU HB2 H 1 1.992 0.000 0.01 1 . . . . 187 E HB1 . 16555 1 471 . 1 1 44 44 GLU HG2 H 1 2.386 0.000 0.01 1 . . . . 187 E HG1 . 16555 1 472 . 1 1 44 44 GLU HG3 H 1 2.227 0.000 0.01 2 . . . . 187 E HG2 . 16555 1 473 . 1 1 44 44 GLU CA C 13 58.258 0.000 0.1 1 . . . . 187 E CA . 16555 1 474 . 1 1 44 44 GLU CB C 13 30.411 0.000 0.1 1 . . . . 187 E CB . 16555 1 475 . 1 1 44 44 GLU CG C 13 36.441 0.000 0.1 1 . . . . 187 E CG . 16555 1 476 . 1 1 44 44 GLU N N 15 118.729 0.000 0.1 1 . . . . 187 E N . 16555 1 477 . 1 1 45 45 THR H H 1 7.785 0.000 0.01 1 . . . . 188 T HN . 16555 1 478 . 1 1 45 45 THR HA H 1 4.161 0.000 0.01 1 . . . . 188 T HA . 16555 1 479 . 1 1 45 45 THR HB H 1 2.752 0.000 0.01 1 . . . . 188 T HB . 16555 1 480 . 1 1 45 45 THR HG21 H 1 0.832 0.000 0.01 1 . . . . 188 T HG21 . 16555 1 481 . 1 1 45 45 THR HG22 H 1 0.832 0.000 0.01 1 . . . . 188 T HG21 . 16555 1 482 . 1 1 45 45 THR HG23 H 1 0.832 0.000 0.01 1 . . . . 188 T HG21 . 16555 1 483 . 1 1 45 45 THR CA C 13 64.417 0.000 0.1 1 . . . . 188 T CA . 16555 1 484 . 1 1 45 45 THR CB C 13 69.552 0.000 0.1 1 . . . . 188 T CB . 16555 1 485 . 1 1 45 45 THR CG2 C 13 21.166 0.000 0.1 1 . . . . 188 T CG2 . 16555 1 486 . 1 1 45 45 THR N N 15 111.783 0.000 0.1 1 . . . . 188 T N . 16555 1 487 . 1 1 46 46 LEU H H 1 7.539 0.000 0.01 1 . . . . 189 L HN . 16555 1 488 . 1 1 46 46 LEU HA H 1 3.882 0.000 0.01 1 . . . . 189 L HA . 16555 1 489 . 1 1 46 46 LEU HB2 H 1 1.965 0.000 0.01 1 . . . . 189 L HB1 . 16555 1 490 . 1 1 46 46 LEU HB3 H 1 1.625 0.000 0.01 2 . . . . 189 L HB2 . 16555 1 491 . 1 1 46 46 LEU HD11 H 1 0.945 0.000 0.01 2 . . . . 189 L HD11 . 16555 1 492 . 1 1 46 46 LEU HD12 H 1 0.945 0.000 0.01 2 . . . . 189 L HD11 . 16555 1 493 . 1 1 46 46 LEU HD13 H 1 0.945 0.000 0.01 2 . . . . 189 L HD11 . 16555 1 494 . 1 1 46 46 LEU HD21 H 1 0.892 0.000 0.01 2 . . . . 189 L HD21 . 16555 1 495 . 1 1 46 46 LEU HD22 H 1 0.892 0.000 0.01 2 . . . . 189 L HD21 . 16555 1 496 . 1 1 46 46 LEU HD23 H 1 0.892 0.000 0.01 2 . . . . 189 L HD21 . 16555 1 497 . 1 1 46 46 LEU HG H 1 1.641 0.000 0.01 1 . . . . 189 L HG . 16555 1 498 . 1 1 46 46 LEU CA C 13 57.592 0.000 0.1 1 . . . . 189 L CA . 16555 1 499 . 1 1 46 46 LEU CB C 13 41.740 0.000 0.1 1 . . . . 189 L CB . 16555 1 500 . 1 1 46 46 LEU CD1 C 13 25.898 0.000 0.1 2 . . . . 189 L CD1 . 16555 1 501 . 1 1 46 46 LEU CD2 C 13 24.721 0.000 0.1 2 . . . . 189 L CD2 . 16555 1 502 . 1 1 46 46 LEU N N 15 120.964 0.000 0.1 1 . . . . 189 L N . 16555 1 503 . 1 1 47 47 LEU H H 1 6.927 0.000 0.01 1 . . . . 190 L HN . 16555 1 504 . 1 1 47 47 LEU HA H 1 3.320 0.000 0.01 1 . . . . 190 L HA . 16555 1 505 . 1 1 47 47 LEU HB2 H 1 1.433 0.000 0.01 1 . . . . 190 L HB1 . 16555 1 506 . 1 1 47 47 LEU HB3 H 1 0.580 0.000 0.01 2 . . . . 190 L HB2 . 16555 1 507 . 1 1 47 47 LEU HD11 H 1 -0.059 0.000 0.01 2 . . . . 190 L HD11 . 16555 1 508 . 1 1 47 47 LEU HD12 H 1 -0.059 0.000 0.01 2 . . . . 190 L HD11 . 16555 1 509 . 1 1 47 47 LEU HD13 H 1 -0.059 0.000 0.01 2 . . . . 190 L HD11 . 16555 1 510 . 1 1 47 47 LEU HD21 H 1 0.678 0.000 0.01 2 . . . . 190 L HD21 . 16555 1 511 . 1 1 47 47 LEU HD22 H 1 0.678 0.000 0.01 2 . . . . 190 L HD21 . 16555 1 512 . 1 1 47 47 LEU HD23 H 1 0.678 0.000 0.01 2 . . . . 190 L HD21 . 16555 1 513 . 1 1 47 47 LEU HG H 1 0.993 0.000 0.01 1 . . . . 190 L HG . 16555 1 514 . 1 1 47 47 LEU CA C 13 58.090 0.000 0.1 1 . . . . 190 L CA . 16555 1 515 . 1 1 47 47 LEU CB C 13 41.571 0.000 0.1 1 . . . . 190 L CB . 16555 1 516 . 1 1 47 47 LEU CD1 C 13 23.941 0.000 0.1 2 . . . . 190 L CD1 . 16555 1 517 . 1 1 47 47 LEU CD2 C 13 25.674 0.000 0.1 2 . . . . 190 L CD2 . 16555 1 518 . 1 1 47 47 LEU CG C 13 26.632 0.000 0.1 1 . . . . 190 L CG . 16555 1 519 . 1 1 47 47 LEU N N 15 118.484 0.000 0.1 1 . . . . 190 L N . 16555 1 520 . 1 1 48 48 VAL H H 1 7.298 0.000 0.01 1 . . . . 191 V HN . 16555 1 521 . 1 1 48 48 VAL HA H 1 3.541 0.000 0.01 1 . . . . 191 V HA . 16555 1 522 . 1 1 48 48 VAL HB H 1 1.878 0.000 0.01 1 . . . . 191 V HB . 16555 1 523 . 1 1 48 48 VAL HG11 H 1 0.676 0.000 0.01 2 . . . . 191 V HG11 . 16555 1 524 . 1 1 48 48 VAL HG12 H 1 0.676 0.000 0.01 2 . . . . 191 V HG11 . 16555 1 525 . 1 1 48 48 VAL HG13 H 1 0.676 0.000 0.01 2 . . . . 191 V HG11 . 16555 1 526 . 1 1 48 48 VAL HG21 H 1 0.914 0.000 0.01 2 . . . . 191 V HG21 . 16555 1 527 . 1 1 48 48 VAL HG22 H 1 0.914 0.000 0.01 2 . . . . 191 V HG21 . 16555 1 528 . 1 1 48 48 VAL HG23 H 1 0.914 0.000 0.01 2 . . . . 191 V HG21 . 16555 1 529 . 1 1 48 48 VAL CA C 13 65.641 0.000 0.1 1 . . . . 191 V CA . 16555 1 530 . 1 1 48 48 VAL CB C 13 31.650 0.000 0.1 1 . . . . 191 V CB . 16555 1 531 . 1 1 48 48 VAL CG1 C 13 22.699 0.000 0.1 2 . . . . 191 V CG1 . 16555 1 532 . 1 1 48 48 VAL CG2 C 13 21.244 0.000 0.1 2 . . . . 191 V CG2 . 16555 1 533 . 1 1 48 48 VAL N N 15 115.838 0.000 0.1 1 . . . . 191 V N . 16555 1 534 . 1 1 49 49 GLN H H 1 7.516 0.000 0.01 1 . . . . 192 Q HN . 16555 1 535 . 1 1 49 49 GLN HA H 1 3.851 0.000 0.01 1 . . . . 192 Q HA . 16555 1 536 . 1 1 49 49 GLN HB2 H 1 2.122 0.000 0.01 1 . . . . 192 Q HB1 . 16555 1 537 . 1 1 49 49 GLN HB3 H 1 1.978 0.000 0.01 2 . . . . 192 Q HB2 . 16555 1 538 . 1 1 49 49 GLN HE21 H 1 7.604 0.000 0.01 2 . . . . 192 Q HE21 . 16555 1 539 . 1 1 49 49 GLN HE22 H 1 6.971 0.000 0.01 2 . . . . 192 Q HE22 . 16555 1 540 . 1 1 49 49 GLN HG2 H 1 2.423 0.000 0.01 1 . . . . 192 Q HG1 . 16555 1 541 . 1 1 49 49 GLN CA C 13 58.782 0.000 0.1 1 . . . . 192 Q CA . 16555 1 542 . 1 1 49 49 GLN CB C 13 28.017 0.000 0.1 1 . . . . 192 Q CB . 16555 1 543 . 1 1 49 49 GLN CG C 13 32.864 0.000 0.1 1 . . . . 192 Q CG . 16555 1 544 . 1 1 49 49 GLN N N 15 116.669 0.000 0.1 1 . . . . 192 Q N . 16555 1 545 . 1 1 49 49 GLN NE2 N 15 111.545 0.000 0.1 1 . . . . 192 Q NE2 . 16555 1 546 . 1 1 50 50 ASN H H 1 7.938 0.000 0.01 1 . . . . 193 N HN . 16555 1 547 . 1 1 50 50 ASN HA H 1 4.941 0.000 0.01 1 . . . . 193 N HA . 16555 1 548 . 1 1 50 50 ASN HB2 H 1 3.348 0.000 0.01 1 . . . . 193 N HB1 . 16555 1 549 . 1 1 50 50 ASN HB3 H 1 3.654 0.000 0.01 2 . . . . 193 N HB2 . 16555 1 550 . 1 1 50 50 ASN HD21 H 1 7.800 0.000 0.01 2 . . . . 193 N HD21 . 16555 1 551 . 1 1 50 50 ASN HD22 H 1 6.280 0.000 0.01 2 . . . . 193 N HD22 . 16555 1 552 . 1 1 50 50 ASN CA C 13 52.635 0.000 0.1 1 . . . . 193 N CA . 16555 1 553 . 1 1 50 50 ASN CB C 13 38.126 0.000 0.1 1 . . . . 193 N CB . 16555 1 554 . 1 1 50 50 ASN N N 15 114.871 0.000 0.1 1 . . . . 193 N N . 16555 1 555 . 1 1 50 50 ASN ND2 N 15 108.110 0.000 0.1 1 . . . . 193 N ND2 . 16555 1 556 . 1 1 51 51 ALA H H 1 7.265 0.000 0.01 1 . . . . 194 A HN . 16555 1 557 . 1 1 51 51 ALA HA H 1 4.249 0.000 0.01 1 . . . . 194 A HA . 16555 1 558 . 1 1 51 51 ALA HB1 H 1 1.611 0.000 0.01 1 . . . . 194 A HB1 . 16555 1 559 . 1 1 51 51 ALA HB2 H 1 1.611 0.000 0.01 1 . . . . 194 A HB1 . 16555 1 560 . 1 1 51 51 ALA HB3 H 1 1.611 0.000 0.01 1 . . . . 194 A HB1 . 16555 1 561 . 1 1 51 51 ALA CA C 13 51.843 0.000 0.1 1 . . . . 194 A CA . 16555 1 562 . 1 1 51 51 ALA CB C 13 18.693 0.000 0.1 1 . . . . 194 A CB . 16555 1 563 . 1 1 51 51 ALA N N 15 124.652 0.000 0.1 1 . . . . 194 A N . 16555 1 564 . 1 1 52 52 ASN H H 1 9.088 0.000 0.01 1 . . . . 195 N HN . 16555 1 565 . 1 1 52 52 ASN HA H 1 4.634 0.000 0.01 1 . . . . 195 N HA . 16555 1 566 . 1 1 52 52 ASN HB2 H 1 2.278 0.000 0.01 1 . . . . 195 N HB1 . 16555 1 567 . 1 1 52 52 ASN HB3 H 1 3.228 0.000 0.01 2 . . . . 195 N HB2 . 16555 1 568 . 1 1 52 52 ASN HD21 H 1 7.579 0.000 0.01 2 . . . . 195 N HD21 . 16555 1 569 . 1 1 52 52 ASN HD22 H 1 7.004 0.000 0.01 2 . . . . 195 N HD22 . 16555 1 570 . 1 1 52 52 ASN CA C 13 51.442 0.000 0.1 1 . . . . 195 N CA . 16555 1 571 . 1 1 52 52 ASN CB C 13 35.186 0.000 0.1 1 . . . . 195 N CB . 16555 1 572 . 1 1 52 52 ASN N N 15 119.264 0.000 0.1 1 . . . . 195 N N . 16555 1 573 . 1 1 52 52 ASN ND2 N 15 111.290 0.000 0.1 1 . . . . 195 N ND2 . 16555 1 574 . 1 1 53 53 PRO HA H 1 4.129 0.000 0.01 1 . . . . 196 P HA . 16555 1 575 . 1 1 53 53 PRO HB2 H 1 1.866 0.000 0.01 1 . . . . 196 P HB1 . 16555 1 576 . 1 1 53 53 PRO HB3 H 1 2.401 0.000 0.01 2 . . . . 196 P HB2 . 16555 1 577 . 1 1 53 53 PRO HD2 H 1 3.887 0.000 0.01 1 . . . . 196 P HD1 . 16555 1 578 . 1 1 53 53 PRO HD3 H 1 3.836 0.000 0.01 2 . . . . 196 P HD2 . 16555 1 579 . 1 1 53 53 PRO CA C 13 66.720 0.000 0.1 1 . . . . 196 P CA . 16555 1 580 . 1 1 53 53 PRO CB C 13 31.947 0.000 0.1 1 . . . . 196 P CB . 16555 1 581 . 1 1 53 53 PRO CD C 13 50.100 0.000 0.1 1 . . . . 196 P CD . 16555 1 582 . 1 1 54 54 ASP H H 1 7.728 0.000 0.01 1 . . . . 197 D HN . 16555 1 583 . 1 1 54 54 ASP HA H 1 4.404 0.000 0.01 1 . . . . 197 D HA . 16555 1 584 . 1 1 54 54 ASP HB2 H 1 2.574 0.000 0.01 1 . . . . 197 D HB1 . 16555 1 585 . 1 1 54 54 ASP CA C 13 57.234 0.000 0.1 1 . . . . 197 D CA . 16555 1 586 . 1 1 54 54 ASP CB C 13 40.971 0.000 0.1 1 . . . . 197 D CB . 16555 1 587 . 1 1 54 54 ASP N N 15 115.502 0.000 0.1 1 . . . . 197 D N . 16555 1 588 . 1 1 55 55 CYS H H 1 8.574 0.000 0.01 1 . . . . 198 C HN . 16555 1 589 . 1 1 55 55 CYS HA H 1 4.275 0.000 0.01 1 . . . . 198 C HA . 16555 1 590 . 1 1 55 55 CYS HB2 H 1 2.551 0.000 0.01 1 . . . . 198 C HB1 . 16555 1 591 . 1 1 55 55 CYS HB3 H 1 3.252 0.000 0.01 2 . . . . 198 C HB2 . 16555 1 592 . 1 1 55 55 CYS CA C 13 63.642 0.000 0.1 1 . . . . 198 C CA . 16555 1 593 . 1 1 55 55 CYS CB C 13 27.622 0.000 0.1 1 . . . . 198 C CB . 16555 1 594 . 1 1 55 55 CYS N N 15 116.555 0.000 0.1 1 . . . . 198 C N . 16555 1 595 . 1 1 56 56 LYS H H 1 9.499 0.000 0.01 1 . . . . 199 K HN . 16555 1 596 . 1 1 56 56 LYS HA H 1 3.644 0.000 0.01 1 . . . . 199 K HA . 16555 1 597 . 1 1 56 56 LYS HB2 H 1 1.814 0.000 0.01 1 . . . . 199 K HB1 . 16555 1 598 . 1 1 56 56 LYS HB3 H 1 1.724 0.000 0.01 2 . . . . 199 K HB2 . 16555 1 599 . 1 1 56 56 LYS HD2 H 1 1.658 0.000 0.01 1 . . . . 199 K HD1 . 16555 1 600 . 1 1 56 56 LYS HG2 H 1 1.317 0.000 0.01 1 . . . . 199 K HG1 . 16555 1 601 . 1 1 56 56 LYS HG3 H 1 1.421 0.000 0.01 2 . . . . 199 K HG2 . 16555 1 602 . 1 1 56 56 LYS CA C 13 61.467 0.000 0.1 1 . . . . 199 K CA . 16555 1 603 . 1 1 56 56 LYS CB C 13 32.343 0.000 0.1 1 . . . . 199 K CB . 16555 1 604 . 1 1 56 56 LYS CD C 13 29.605 0.000 0.1 1 . . . . 199 K CD . 16555 1 605 . 1 1 56 56 LYS CG C 13 25.551 0.000 0.1 1 . . . . 199 K CG . 16555 1 606 . 1 1 56 56 LYS N N 15 121.805 0.000 0.1 1 . . . . 199 K N . 16555 1 607 . 1 1 57 57 THR H H 1 7.594 0.000 0.01 1 . . . . 200 T HN . 16555 1 608 . 1 1 57 57 THR HA H 1 3.780 0.000 0.01 1 . . . . 200 T HA . 16555 1 609 . 1 1 57 57 THR HB H 1 4.197 0.000 0.01 1 . . . . 200 T HB . 16555 1 610 . 1 1 57 57 THR HG21 H 1 1.246 0.000 0.01 1 . . . . 200 T HG21 . 16555 1 611 . 1 1 57 57 THR HG22 H 1 1.246 0.000 0.01 1 . . . . 200 T HG21 . 16555 1 612 . 1 1 57 57 THR HG23 H 1 1.246 0.000 0.01 1 . . . . 200 T HG21 . 16555 1 613 . 1 1 57 57 THR CA C 13 66.613 0.000 0.1 1 . . . . 200 T CA . 16555 1 614 . 1 1 57 57 THR CB C 13 68.837 0.000 0.1 1 . . . . 200 T CB . 16555 1 615 . 1 1 57 57 THR CG2 C 13 21.489 0.000 0.1 1 . . . . 200 T CG2 . 16555 1 616 . 1 1 57 57 THR N N 15 112.995 0.000 0.1 1 . . . . 200 T N . 16555 1 617 . 1 1 58 58 ILE H H 1 6.791 0.000 0.01 1 . . . . 201 I HN . 16555 1 618 . 1 1 58 58 ILE HA H 1 3.646 0.000 0.01 1 . . . . 201 I HA . 16555 1 619 . 1 1 58 58 ILE HB H 1 1.889 0.000 0.01 1 . . . . 201 I HB . 16555 1 620 . 1 1 58 58 ILE HD11 H 1 0.726 0.000 0.01 1 . . . . 201 I HD11 . 16555 1 621 . 1 1 58 58 ILE HD12 H 1 0.726 0.000 0.01 1 . . . . 201 I HD11 . 16555 1 622 . 1 1 58 58 ILE HD13 H 1 0.726 0.000 0.01 1 . . . . 201 I HD11 . 16555 1 623 . 1 1 58 58 ILE HG12 H 1 1.687 0.000 0.01 1 . . . . 201 I HG11 . 16555 1 624 . 1 1 58 58 ILE HG13 H 1 1.098 0.000 0.01 2 . . . . 201 I HG12 . 16555 1 625 . 1 1 58 58 ILE HG21 H 1 0.881 0.000 0.01 1 . . . . 201 I HG21 . 16555 1 626 . 1 1 58 58 ILE HG22 H 1 0.881 0.000 0.01 1 . . . . 201 I HG21 . 16555 1 627 . 1 1 58 58 ILE HG23 H 1 0.881 0.000 0.01 1 . . . . 201 I HG21 . 16555 1 628 . 1 1 58 58 ILE CA C 13 64.399 0.000 0.1 1 . . . . 201 I CA . 16555 1 629 . 1 1 58 58 ILE CB C 13 38.332 0.000 0.1 1 . . . . 201 I CB . 16555 1 630 . 1 1 58 58 ILE CD1 C 13 18.382 0.000 0.1 1 . . . . 201 I CD1 . 16555 1 631 . 1 1 58 58 ILE CG1 C 13 28.958 0.000 0.1 1 . . . . 201 I CG1 . 16555 1 632 . 1 1 58 58 ILE CG2 C 13 13.849 0.000 0.1 1 . . . . 201 I CG2 . 16555 1 633 . 1 1 58 58 ILE N N 15 122.437 0.000 0.1 1 . . . . 201 I N . 16555 1 634 . 1 1 59 59 LEU H H 1 8.511 0.000 0.01 1 . . . . 202 L HN . 16555 1 635 . 1 1 59 59 LEU HA H 1 3.747 0.000 0.01 1 . . . . 202 L HA . 16555 1 636 . 1 1 59 59 LEU HB2 H 1 1.297 0.000 0.01 1 . . . . 202 L HB1 . 16555 1 637 . 1 1 59 59 LEU HB3 H 1 1.742 0.000 0.01 2 . . . . 202 L HB2 . 16555 1 638 . 1 1 59 59 LEU HD11 H 1 0.649 0.000 0.01 2 . . . . 202 L HD11 . 16555 1 639 . 1 1 59 59 LEU HD12 H 1 0.649 0.000 0.01 2 . . . . 202 L HD11 . 16555 1 640 . 1 1 59 59 LEU HD13 H 1 0.649 0.000 0.01 2 . . . . 202 L HD11 . 16555 1 641 . 1 1 59 59 LEU HD21 H 1 0.569 0.000 0.01 2 . . . . 202 L HD21 . 16555 1 642 . 1 1 59 59 LEU HD22 H 1 0.569 0.000 0.01 2 . . . . 202 L HD21 . 16555 1 643 . 1 1 59 59 LEU HD23 H 1 0.569 0.000 0.01 2 . . . . 202 L HD21 . 16555 1 644 . 1 1 59 59 LEU HG H 1 1.610 0.000 0.01 1 . . . . 202 L HG . 16555 1 645 . 1 1 59 59 LEU CA C 13 57.610 0.000 0.1 1 . . . . 202 L CA . 16555 1 646 . 1 1 59 59 LEU CB C 13 41.977 0.000 0.1 1 . . . . 202 L CB . 16555 1 647 . 1 1 59 59 LEU CD1 C 13 25.843 0.000 0.1 2 . . . . 202 L CD1 . 16555 1 648 . 1 1 59 59 LEU CD2 C 13 22.469 0.000 0.1 2 . . . . 202 L CD2 . 16555 1 649 . 1 1 59 59 LEU CG C 13 26.236 0.000 0.1 1 . . . . 202 L CG . 16555 1 650 . 1 1 59 59 LEU N N 15 118.897 0.000 0.1 1 . . . . 202 L N . 16555 1 651 . 1 1 60 60 LYS H H 1 8.454 0.000 0.01 1 . . . . 203 K HN . 16555 1 652 . 1 1 60 60 LYS HA H 1 3.954 0.000 0.01 1 . . . . 203 K HA . 16555 1 653 . 1 1 60 60 LYS HB2 H 1 1.799 0.000 0.01 1 . . . . 203 K HB1 . 16555 1 654 . 1 1 60 60 LYS HD2 H 1 1.584 0.000 0.01 1 . . . . 203 K HD1 . 16555 1 655 . 1 1 60 60 LYS HE2 H 1 2.858 0.000 0.01 1 . . . . 203 K HE1 . 16555 1 656 . 1 1 60 60 LYS HG2 H 1 1.310 0.000 0.01 1 . . . . 203 K HG1 . 16555 1 657 . 1 1 60 60 LYS HG3 H 1 1.499 0.000 0.01 2 . . . . 203 K HG2 . 16555 1 658 . 1 1 60 60 LYS CA C 13 58.841 0.000 0.1 1 . . . . 203 K CA . 16555 1 659 . 1 1 60 60 LYS CB C 13 31.681 0.000 0.1 1 . . . . 203 K CB . 16555 1 660 . 1 1 60 60 LYS CD C 13 28.934 0.000 0.1 1 . . . . 203 K CD . 16555 1 661 . 1 1 60 60 LYS CE C 13 41.731 0.000 0.1 1 . . . . 203 K CE . 16555 1 662 . 1 1 60 60 LYS CG C 13 25.221 0.000 0.1 1 . . . . 203 K CG . 16555 1 663 . 1 1 60 60 LYS N N 15 118.609 0.000 0.1 1 . . . . 203 K N . 16555 1 664 . 1 1 61 61 ALA H H 1 7.162 0.000 0.01 1 . . . . 204 A HN . 16555 1 665 . 1 1 61 61 ALA HA H 1 4.264 0.000 0.01 1 . . . . 204 A HA . 16555 1 666 . 1 1 61 61 ALA HB1 H 1 1.497 0.000 0.01 1 . . . . 204 A HB1 . 16555 1 667 . 1 1 61 61 ALA HB2 H 1 1.497 0.000 0.01 1 . . . . 204 A HB1 . 16555 1 668 . 1 1 61 61 ALA HB3 H 1 1.497 0.000 0.01 1 . . . . 204 A HB1 . 16555 1 669 . 1 1 61 61 ALA CA C 13 53.304 0.000 0.1 1 . . . . 204 A CA . 16555 1 670 . 1 1 61 61 ALA CB C 13 18.391 0.000 0.1 1 . . . . 204 A CB . 16555 1 671 . 1 1 61 61 ALA N N 15 120.248 0.000 0.1 1 . . . . 204 A N . 16555 1 672 . 1 1 62 62 LEU H H 1 7.466 0.000 0.01 1 . . . . 205 L HN . 16555 1 673 . 1 1 62 62 LEU HA H 1 4.180 0.000 0.01 1 . . . . 205 L HA . 16555 1 674 . 1 1 62 62 LEU HB2 H 1 1.618 0.000 0.01 1 . . . . 205 L HB1 . 16555 1 675 . 1 1 62 62 LEU HB3 H 1 1.856 0.000 0.01 2 . . . . 205 L HB2 . 16555 1 676 . 1 1 62 62 LEU HD11 H 1 0.759 0.000 0.01 2 . . . . 205 L HD11 . 16555 1 677 . 1 1 62 62 LEU HD12 H 1 0.759 0.000 0.01 2 . . . . 205 L HD11 . 16555 1 678 . 1 1 62 62 LEU HD13 H 1 0.759 0.000 0.01 2 . . . . 205 L HD11 . 16555 1 679 . 1 1 62 62 LEU HD21 H 1 0.768 0.000 0.01 2 . . . . 205 L HD21 . 16555 1 680 . 1 1 62 62 LEU HD22 H 1 0.768 0.000 0.01 2 . . . . 205 L HD21 . 16555 1 681 . 1 1 62 62 LEU HD23 H 1 0.768 0.000 0.01 2 . . . . 205 L HD21 . 16555 1 682 . 1 1 62 62 LEU HG H 1 1.915 0.000 0.01 1 . . . . 205 L HG . 16555 1 683 . 1 1 62 62 LEU CA C 13 56.084 0.000 0.1 1 . . . . 205 L CA . 16555 1 684 . 1 1 62 62 LEU CB C 13 42.595 0.000 0.1 1 . . . . 205 L CB . 16555 1 685 . 1 1 62 62 LEU CD1 C 13 22.814 0.000 0.1 2 . . . . 205 L CD1 . 16555 1 686 . 1 1 62 62 LEU CD2 C 13 26.009 0.000 0.1 2 . . . . 205 L CD2 . 16555 1 687 . 1 1 62 62 LEU CG C 13 26.088 0.000 0.1 1 . . . . 205 L CG . 16555 1 688 . 1 1 62 62 LEU N N 15 118.117 0.000 0.1 1 . . . . 205 L N . 16555 1 689 . 1 1 63 63 GLY H H 1 7.502 0.000 0.01 1 . . . . 206 G HN . 16555 1 690 . 1 1 63 63 GLY HA2 H 1 4.012 0.000 0.01 1 . . . . 206 G HA1 . 16555 1 691 . 1 1 63 63 GLY HA3 H 1 4.316 0.000 0.01 2 . . . . 206 G HA2 . 16555 1 692 . 1 1 63 63 GLY CA C 13 44.555 0.000 0.1 1 . . . . 206 G CA . 16555 1 693 . 1 1 63 63 GLY N N 15 104.586 0.000 0.1 1 . . . . 206 G N . 16555 1 694 . 1 1 64 64 PRO HA H 1 4.351 0.000 0.01 1 . . . . 207 P HA . 16555 1 695 . 1 1 64 64 PRO HB2 H 1 2.034 0.000 0.01 1 . . . . 207 P HB1 . 16555 1 696 . 1 1 64 64 PRO HB3 H 1 2.259 0.000 0.01 2 . . . . 207 P HB2 . 16555 1 697 . 1 1 64 64 PRO HD2 H 1 3.604 0.000 0.01 1 . . . . 207 P HD1 . 16555 1 698 . 1 1 64 64 PRO HD3 H 1 3.718 0.000 0.01 2 . . . . 207 P HD2 . 16555 1 699 . 1 1 64 64 PRO HG2 H 1 1.968 0.000 0.01 1 . . . . 207 P HG1 . 16555 1 700 . 1 1 64 64 PRO HG3 H 1 2.047 0.000 0.01 2 . . . . 207 P HG2 . 16555 1 701 . 1 1 64 64 PRO CA C 13 64.180 0.000 0.1 1 . . . . 207 P CA . 16555 1 702 . 1 1 64 64 PRO CB C 13 31.986 0.000 0.1 1 . . . . 207 P CB . 16555 1 703 . 1 1 64 64 PRO CD C 13 49.853 0.000 0.1 1 . . . . 207 P CD . 16555 1 704 . 1 1 64 64 PRO CG C 13 26.948 0.000 0.1 1 . . . . 207 P CG . 16555 1 705 . 1 1 65 65 ALA H H 1 8.395 0.000 0.01 1 . . . . 208 A HN . 16555 1 706 . 1 1 65 65 ALA HA H 1 4.469 0.000 0.01 1 . . . . 208 A HA . 16555 1 707 . 1 1 65 65 ALA HB1 H 1 1.377 0.000 0.01 1 . . . . 208 A HB1 . 16555 1 708 . 1 1 65 65 ALA HB2 H 1 1.377 0.000 0.01 1 . . . . 208 A HB1 . 16555 1 709 . 1 1 65 65 ALA HB3 H 1 1.377 0.000 0.01 1 . . . . 208 A HB1 . 16555 1 710 . 1 1 65 65 ALA CA C 13 51.435 0.000 0.1 1 . . . . 208 A CA . 16555 1 711 . 1 1 65 65 ALA CB C 13 18.354 0.000 0.1 1 . . . . 208 A CB . 16555 1 712 . 1 1 65 65 ALA N N 15 121.525 0.000 0.1 1 . . . . 208 A N . 16555 1 713 . 1 1 66 66 ALA H H 1 7.168 0.000 0.01 1 . . . . 209 A HN . 16555 1 714 . 1 1 66 66 ALA HA H 1 4.392 0.000 0.01 1 . . . . 209 A HA . 16555 1 715 . 1 1 66 66 ALA HB1 H 1 1.337 0.000 0.01 1 . . . . 209 A HB1 . 16555 1 716 . 1 1 66 66 ALA HB2 H 1 1.337 0.000 0.01 1 . . . . 209 A HB1 . 16555 1 717 . 1 1 66 66 ALA HB3 H 1 1.337 0.000 0.01 1 . . . . 209 A HB1 . 16555 1 718 . 1 1 66 66 ALA CA C 13 52.642 0.000 0.1 1 . . . . 209 A CA . 16555 1 719 . 1 1 66 66 ALA CB C 13 19.873 0.000 0.1 1 . . . . 209 A CB . 16555 1 720 . 1 1 66 66 ALA N N 15 122.862 0.000 0.1 1 . . . . 209 A N . 16555 1 721 . 1 1 67 67 THR H H 1 8.579 0.000 0.01 1 . . . . 210 T HN . 16555 1 722 . 1 1 67 67 THR HA H 1 4.449 0.000 0.01 1 . . . . 210 T HA . 16555 1 723 . 1 1 67 67 THR HB H 1 4.741 0.000 0.01 1 . . . . 210 T HB . 16555 1 724 . 1 1 67 67 THR HG21 H 1 1.377 0.000 0.01 1 . . . . 210 T HG21 . 16555 1 725 . 1 1 67 67 THR HG22 H 1 1.377 0.000 0.01 1 . . . . 210 T HG21 . 16555 1 726 . 1 1 67 67 THR HG23 H 1 1.377 0.000 0.01 1 . . . . 210 T HG21 . 16555 1 727 . 1 1 67 67 THR CA C 13 60.243 0.000 0.1 1 . . . . 210 T CA . 16555 1 728 . 1 1 67 67 THR CB C 13 71.564 0.000 0.1 1 . . . . 210 T CB . 16555 1 729 . 1 1 67 67 THR CG2 C 13 21.784 0.000 0.1 1 . . . . 210 T CG2 . 16555 1 730 . 1 1 67 67 THR N N 15 113.347 0.000 0.1 1 . . . . 210 T N . 16555 1 731 . 1 1 68 68 LEU H H 1 8.881 0.000 0.01 1 . . . . 211 L HN . 16555 1 732 . 1 1 68 68 LEU HA H 1 4.301 0.000 0.01 1 . . . . 211 L HA . 16555 1 733 . 1 1 68 68 LEU HB2 H 1 1.740 0.000 0.01 1 . . . . 211 L HB1 . 16555 1 734 . 1 1 68 68 LEU HB3 H 1 1.640 0.000 0.01 2 . . . . 211 L HB2 . 16555 1 735 . 1 1 68 68 LEU HD11 H 1 1.015 0.000 0.01 2 . . . . 211 L HD11 . 16555 1 736 . 1 1 68 68 LEU HD12 H 1 1.015 0.000 0.01 2 . . . . 211 L HD11 . 16555 1 737 . 1 1 68 68 LEU HD13 H 1 1.015 0.000 0.01 2 . . . . 211 L HD11 . 16555 1 738 . 1 1 68 68 LEU HD21 H 1 0.788 0.000 0.01 2 . . . . 211 L HD21 . 16555 1 739 . 1 1 68 68 LEU HD22 H 1 0.788 0.000 0.01 2 . . . . 211 L HD21 . 16555 1 740 . 1 1 68 68 LEU HD23 H 1 0.788 0.000 0.01 2 . . . . 211 L HD21 . 16555 1 741 . 1 1 68 68 LEU HG H 1 1.618 0.000 0.01 1 . . . . 211 L HG . 16555 1 742 . 1 1 68 68 LEU CA C 13 58.242 0.000 0.1 1 . . . . 211 L CA . 16555 1 743 . 1 1 68 68 LEU CB C 13 41.154 0.000 0.1 1 . . . . 211 L CB . 16555 1 744 . 1 1 68 68 LEU CD1 C 13 22.930 0.000 0.1 2 . . . . 211 L CD1 . 16555 1 745 . 1 1 68 68 LEU CD2 C 13 24.878 0.000 0.1 2 . . . . 211 L CD2 . 16555 1 746 . 1 1 68 68 LEU CG C 13 27.109 0.000 0.1 1 . . . . 211 L CG . 16555 1 747 . 1 1 68 68 LEU N N 15 122.590 0.000 0.1 1 . . . . 211 L N . 16555 1 748 . 1 1 69 69 GLU H H 1 8.578 0.000 0.01 1 . . . . 212 E HN . 16555 1 749 . 1 1 69 69 GLU HA H 1 3.981 0.000 0.01 1 . . . . 212 E HA . 16555 1 750 . 1 1 69 69 GLU HB2 H 1 1.940 0.000 0.01 1 . . . . 212 E HB1 . 16555 1 751 . 1 1 69 69 GLU HB3 H 1 2.042 0.000 0.01 2 . . . . 212 E HB2 . 16555 1 752 . 1 1 69 69 GLU HG2 H 1 2.324 0.000 0.01 1 . . . . 212 E HG1 . 16555 1 753 . 1 1 69 69 GLU HG3 H 1 2.256 0.000 0.01 2 . . . . 212 E HG2 . 16555 1 754 . 1 1 69 69 GLU CA C 13 60.316 0.000 0.1 1 . . . . 212 E CA . 16555 1 755 . 1 1 69 69 GLU CB C 13 28.958 0.000 0.1 1 . . . . 212 E CB . 16555 1 756 . 1 1 69 69 GLU CG C 13 36.404 0.000 0.1 1 . . . . 212 E CG . 16555 1 757 . 1 1 69 69 GLU N N 15 117.611 0.000 0.1 1 . . . . 212 E N . 16555 1 758 . 1 1 70 70 GLU H H 1 7.757 0.000 0.01 1 . . . . 213 E HN . 16555 1 759 . 1 1 70 70 GLU HA H 1 3.981 0.000 0.01 1 . . . . 213 E HA . 16555 1 760 . 1 1 70 70 GLU HB2 H 1 1.926 0.000 0.01 1 . . . . 213 E HB1 . 16555 1 761 . 1 1 70 70 GLU HB3 H 1 2.433 0.000 0.01 2 . . . . 213 E HB2 . 16555 1 762 . 1 1 70 70 GLU HG2 H 1 2.375 0.000 0.01 1 . . . . 213 E HG1 . 16555 1 763 . 1 1 70 70 GLU HG3 H 1 2.294 0.000 0.01 2 . . . . 213 E HG2 . 16555 1 764 . 1 1 70 70 GLU CA C 13 59.094 0.000 0.1 1 . . . . 213 E CA . 16555 1 765 . 1 1 70 70 GLU CB C 13 29.559 0.000 0.1 1 . . . . 213 E CB . 16555 1 766 . 1 1 70 70 GLU CG C 13 37.362 0.000 0.1 1 . . . . 213 E CG . 16555 1 767 . 1 1 70 70 GLU N N 15 120.437 0.000 0.1 1 . . . . 213 E N . 16555 1 768 . 1 1 71 71 MET H H 1 8.552 0.000 0.01 1 . . . . 214 M HN . 16555 1 769 . 1 1 71 71 MET HA H 1 3.600 0.000 0.01 1 . . . . 214 M HA . 16555 1 770 . 1 1 71 71 MET HB2 H 1 1.832 0.000 0.01 1 . . . . 214 M HB1 . 16555 1 771 . 1 1 71 71 MET HB3 H 1 2.525 0.000 0.01 2 . . . . 214 M HB2 . 16555 1 772 . 1 1 71 71 MET HE1 H 1 2.009 0.000 0.01 1 . . . . 214 M HE1 . 16555 1 773 . 1 1 71 71 MET HE2 H 1 2.009 0.000 0.01 1 . . . . 214 M HE1 . 16555 1 774 . 1 1 71 71 MET HE3 H 1 2.009 0.000 0.01 1 . . . . 214 M HE1 . 16555 1 775 . 1 1 71 71 MET HG2 H 1 2.118 0.000 0.01 1 . . . . 214 M HG1 . 16555 1 776 . 1 1 71 71 MET HG3 H 1 2.835 0.000 0.01 2 . . . . 214 M HG2 . 16555 1 777 . 1 1 71 71 MET CA C 13 60.168 0.000 0.1 1 . . . . 214 M CA . 16555 1 778 . 1 1 71 71 MET CB C 13 33.002 0.000 0.1 1 . . . . 214 M CB . 16555 1 779 . 1 1 71 71 MET CE C 13 17.527 0.000 0.1 1 . . . . 214 M CE . 16555 1 780 . 1 1 71 71 MET CG C 13 32.574 0.000 0.1 1 . . . . 214 M CG . 16555 1 781 . 1 1 71 71 MET N N 15 120.177 0.000 0.1 1 . . . . 214 M N . 16555 1 782 . 1 1 72 72 MET H H 1 8.783 0.000 0.01 1 . . . . 215 M HN . 16555 1 783 . 1 1 72 72 MET HA H 1 4.207 0.000 0.01 1 . . . . 215 M HA . 16555 1 784 . 1 1 72 72 MET HB2 H 1 2.512 0.000 0.01 1 . . . . 215 M HB1 . 16555 1 785 . 1 1 72 72 MET HB3 H 1 2.991 0.000 0.01 2 . . . . 215 M HB2 . 16555 1 786 . 1 1 72 72 MET HE1 H 1 2.049 0.000 0.01 1 . . . . 215 M HE1 . 16555 1 787 . 1 1 72 72 MET HE2 H 1 2.049 0.000 0.01 1 . . . . 215 M HE1 . 16555 1 788 . 1 1 72 72 MET HE3 H 1 2.049 0.000 0.01 1 . . . . 215 M HE1 . 16555 1 789 . 1 1 72 72 MET HG2 H 1 2.157 0.000 0.01 1 . . . . 215 M HG1 . 16555 1 790 . 1 1 72 72 MET HG3 H 1 2.398 0.000 0.01 2 . . . . 215 M HG2 . 16555 1 791 . 1 1 72 72 MET CA C 13 59.427 0.000 0.1 1 . . . . 215 M CA . 16555 1 792 . 1 1 72 72 MET CB C 13 32.669 0.000 0.1 1 . . . . 215 M CB . 16555 1 793 . 1 1 72 72 MET CE C 13 16.836 0.000 0.1 1 . . . . 215 M CE . 16555 1 794 . 1 1 72 72 MET CG C 13 32.630 0.000 0.1 1 . . . . 215 M CG . 16555 1 795 . 1 1 72 72 MET N N 15 116.976 0.000 0.1 1 . . . . 215 M N . 16555 1 796 . 1 1 73 73 THR H H 1 8.360 0.000 0.01 1 . . . . 216 T HN . 16555 1 797 . 1 1 73 73 THR HA H 1 3.908 0.000 0.01 1 . . . . 216 T HA . 16555 1 798 . 1 1 73 73 THR HB H 1 4.168 0.000 0.01 1 . . . . 216 T HB . 16555 1 799 . 1 1 73 73 THR HG21 H 1 1.229 0.000 0.01 1 . . . . 216 T HG21 . 16555 1 800 . 1 1 73 73 THR HG22 H 1 1.229 0.000 0.01 1 . . . . 216 T HG21 . 16555 1 801 . 1 1 73 73 THR HG23 H 1 1.229 0.000 0.01 1 . . . . 216 T HG21 . 16555 1 802 . 1 1 73 73 THR CA C 13 66.522 0.000 0.1 1 . . . . 216 T CA . 16555 1 803 . 1 1 73 73 THR CB C 13 68.618 0.000 0.1 1 . . . . 216 T CB . 16555 1 804 . 1 1 73 73 THR CG2 C 13 21.686 0.000 0.1 1 . . . . 216 T CG2 . 16555 1 805 . 1 1 73 73 THR N N 15 116.945 0.000 0.1 1 . . . . 216 T N . 16555 1 806 . 1 1 74 74 ALA H H 1 7.994 0.000 0.01 1 . . . . 217 A HN . 16555 1 807 . 1 1 74 74 ALA HA H 1 4.157 0.000 0.01 1 . . . . 217 A HA . 16555 1 808 . 1 1 74 74 ALA HB1 H 1 1.446 0.000 0.01 1 . . . . 217 A HB1 . 16555 1 809 . 1 1 74 74 ALA HB2 H 1 1.446 0.000 0.01 1 . . . . 217 A HB1 . 16555 1 810 . 1 1 74 74 ALA HB3 H 1 1.446 0.000 0.01 1 . . . . 217 A HB1 . 16555 1 811 . 1 1 74 74 ALA CA C 13 54.812 0.000 0.1 1 . . . . 217 A CA . 16555 1 812 . 1 1 74 74 ALA CB C 13 19.182 0.000 0.1 1 . . . . 217 A CB . 16555 1 813 . 1 1 74 74 ALA N N 15 122.838 0.000 0.1 1 . . . . 217 A N . 16555 1 814 . 1 1 75 75 CYS H H 1 7.395 0.000 0.01 1 . . . . 218 C HN . 16555 1 815 . 1 1 75 75 CYS HA H 1 4.395 0.000 0.01 1 . . . . 218 C HA . 16555 1 816 . 1 1 75 75 CYS HB2 H 1 2.490 0.000 0.01 1 . . . . 218 C HB1 . 16555 1 817 . 1 1 75 75 CYS HB3 H 1 3.004 0.000 0.01 2 . . . . 218 C HB2 . 16555 1 818 . 1 1 75 75 CYS CA C 13 60.256 0.000 0.1 1 . . . . 218 C CA . 16555 1 819 . 1 1 75 75 CYS CB C 13 28.290 0.000 0.1 1 . . . . 218 C CB . 16555 1 820 . 1 1 75 75 CYS N N 15 110.937 0.000 0.1 1 . . . . 218 C N . 16555 1 821 . 1 1 76 76 GLN H H 1 7.529 0.000 0.01 1 . . . . 219 Q HN . 16555 1 822 . 1 1 76 76 GLN HA H 1 4.233 0.000 0.01 1 . . . . 219 Q HA . 16555 1 823 . 1 1 76 76 GLN HB2 H 1 2.214 0.000 0.01 1 . . . . 219 Q HB1 . 16555 1 824 . 1 1 76 76 GLN HB3 H 1 2.360 0.000 0.01 2 . . . . 219 Q HB2 . 16555 1 825 . 1 1 76 76 GLN HE21 H 1 7.552 0.000 0.01 2 . . . . 219 Q HE21 . 16555 1 826 . 1 1 76 76 GLN HE22 H 1 6.948 0.000 0.01 2 . . . . 219 Q HE22 . 16555 1 827 . 1 1 76 76 GLN HG2 H 1 2.605 0.000 0.01 1 . . . . 219 Q HG1 . 16555 1 828 . 1 1 76 76 GLN HG3 H 1 2.494 0.000 0.01 2 . . . . 219 Q HG2 . 16555 1 829 . 1 1 76 76 GLN CA C 13 58.342 0.000 0.1 1 . . . . 219 Q CA . 16555 1 830 . 1 1 76 76 GLN CB C 13 28.321 0.000 0.1 1 . . . . 219 Q CB . 16555 1 831 . 1 1 76 76 GLN CG C 13 33.202 0.000 0.1 1 . . . . 219 Q CG . 16555 1 832 . 1 1 76 76 GLN N N 15 122.453 0.000 0.1 1 . . . . 219 Q N . 16555 1 833 . 1 1 76 76 GLN NE2 N 15 111.559 0.000 0.1 1 . . . . 219 Q NE2 . 16555 1 834 . 1 1 77 77 GLY H H 1 8.728 0.000 0.01 1 . . . . 220 G HN . 16555 1 835 . 1 1 77 77 GLY HA2 H 1 3.929 0.000 0.01 1 . . . . 220 G HA1 . 16555 1 836 . 1 1 77 77 GLY HA3 H 1 4.035 0.000 0.01 2 . . . . 220 G HA2 . 16555 1 837 . 1 1 77 77 GLY CA C 13 45.275 0.000 0.1 1 . . . . 220 G CA . 16555 1 838 . 1 1 77 77 GLY N N 15 109.969 0.000 0.1 1 . . . . 220 G N . 16555 1 839 . 1 1 78 78 VAL H H 1 7.355 0.000 0.01 1 . . . . 221 V HN . 16555 1 840 . 1 1 78 78 VAL HA H 1 3.830 0.000 0.01 1 . . . . 221 V HA . 16555 1 841 . 1 1 78 78 VAL HB H 1 2.024 0.000 0.01 1 . . . . 221 V HB . 16555 1 842 . 1 1 78 78 VAL HG11 H 1 0.910 0.000 0.01 2 . . . . 221 V HG11 . 16555 1 843 . 1 1 78 78 VAL HG12 H 1 0.910 0.000 0.01 2 . . . . 221 V HG11 . 16555 1 844 . 1 1 78 78 VAL HG13 H 1 0.910 0.000 0.01 2 . . . . 221 V HG11 . 16555 1 845 . 1 1 78 78 VAL CA C 13 63.520 0.000 0.1 1 . . . . 221 V CA . 16555 1 846 . 1 1 78 78 VAL CB C 13 31.710 0.000 0.1 1 . . . . 221 V CB . 16555 1 847 . 1 1 78 78 VAL CG1 C 13 21.697 0.000 0.1 2 . . . . 221 V CG1 . 16555 1 848 . 1 1 78 78 VAL N N 15 120.419 0.000 0.1 1 . . . . 221 V N . 16555 1 849 . 1 1 79 79 GLY H H 1 8.743 0.000 0.01 1 . . . . 222 G HN . 16555 1 850 . 1 1 79 79 GLY HA2 H 1 3.834 0.000 0.01 1 . . . . 222 G HA1 . 16555 1 851 . 1 1 79 79 GLY HA3 H 1 4.111 0.000 0.01 2 . . . . 222 G HA2 . 16555 1 852 . 1 1 79 79 GLY CA C 13 45.103 0.000 0.1 1 . . . . 222 G CA . 16555 1 853 . 1 1 79 79 GLY N N 15 115.911 0.000 0.1 1 . . . . 222 G N . 16555 1 854 . 1 1 80 80 GLY H H 1 8.013 0.000 0.01 1 . . . . 223 G HN . 16555 1 855 . 1 1 80 80 GLY HA2 H 1 4.104 0.000 0.01 1 . . . . 223 G HA1 . 16555 1 856 . 1 1 80 80 GLY HA3 H 1 4.235 0.000 0.01 2 . . . . 223 G HA2 . 16555 1 857 . 1 1 80 80 GLY CA C 13 44.500 0.000 0.1 1 . . . . 223 G CA . 16555 1 858 . 1 1 80 80 GLY N N 15 108.167 0.000 0.1 1 . . . . 223 G N . 16555 1 859 . 1 1 81 81 PRO HA H 1 4.457 0.000 0.01 1 . . . . 224 P HA . 16555 1 860 . 1 1 81 81 PRO HB2 H 1 1.970 0.000 0.01 1 . . . . 224 P HB1 . 16555 1 861 . 1 1 81 81 PRO HB3 H 1 2.291 0.000 0.01 2 . . . . 224 P HB2 . 16555 1 862 . 1 1 81 81 PRO HD2 H 1 3.681 0.000 0.01 1 . . . . 224 P HD1 . 16555 1 863 . 1 1 81 81 PRO HG2 H 1 2.056 0.000 0.01 1 . . . . 224 P HG1 . 16555 1 864 . 1 1 81 81 PRO CA C 13 63.618 0.000 0.1 1 . . . . 224 P CA . 16555 1 865 . 1 1 81 81 PRO CB C 13 31.870 0.000 0.1 1 . . . . 224 P CB . 16555 1 866 . 1 1 81 81 PRO CD C 13 49.560 0.000 0.1 1 . . . . 224 P CD . 16555 1 867 . 1 1 81 81 PRO CG C 13 26.907 0.000 0.1 1 . . . . 224 P CG . 16555 1 868 . 1 1 82 82 GLY H H 1 8.567 0.000 0.01 1 . . . . 225 G HN . 16555 1 869 . 1 1 82 82 GLY HA2 H 1 3.933 0.000 0.01 1 . . . . 225 G HA1 . 16555 1 870 . 1 1 82 82 GLY CA C 13 45.199 0.000 0.1 1 . . . . 225 G CA . 16555 1 871 . 1 1 82 82 GLY N N 15 109.071 0.000 0.1 1 . . . . 225 G N . 16555 1 872 . 1 1 83 83 HIS H H 1 8.154 0.000 0.01 1 . . . . 226 H HN . 16555 1 873 . 1 1 83 83 HIS HA H 1 4.591 0.000 0.01 1 . . . . 226 H HA . 16555 1 874 . 1 1 83 83 HIS HB2 H 1 3.089 0.000 0.01 1 . . . . 226 H HB1 . 16555 1 875 . 1 1 83 83 HIS HB3 H 1 3.142 0.000 0.01 2 . . . . 226 H HB2 . 16555 1 876 . 1 1 83 83 HIS HD2 H 1 7.057 0.000 0.01 1 . . . . 226 H HD2 . 16555 1 877 . 1 1 83 83 HIS HE1 H 1 7.977 0.000 0.01 1 . . . . 226 H HE1 . 16555 1 878 . 1 1 83 83 HIS CA C 13 56.422 0.000 0.1 1 . . . . 226 H CA . 16555 1 879 . 1 1 83 83 HIS CB C 13 30.665 0.000 0.1 1 . . . . 226 H CB . 16555 1 880 . 1 1 83 83 HIS CD2 C 13 119.887 0.000 0.1 1 . . . . 226 H CD2 . 16555 1 881 . 1 1 83 83 HIS CE1 C 13 138.038 0.000 0.1 1 . . . . 226 H CE1 . 16555 1 882 . 1 1 83 83 HIS N N 15 119.653 0.000 0.1 1 . . . . 226 H N . 16555 1 883 . 1 1 84 84 LYS H H 1 8.259 0.000 0.01 1 . . . . 227 K HN . 16555 1 884 . 1 1 84 84 LYS HA H 1 4.052 0.000 0.01 1 . . . . 227 K HA . 16555 1 885 . 1 1 84 84 LYS HB2 H 1 2.116 0.000 0.01 1 . . . . 227 K HB1 . 16555 1 886 . 1 1 84 84 LYS CA C 13 55.250 0.000 0.1 1 . . . . 227 K CA . 16555 1 887 . 1 1 84 84 LYS CB C 13 32.871 0.000 0.1 1 . . . . 227 K CB . 16555 1 888 . 1 1 84 84 LYS N N 15 123.422 0.000 0.1 1 . . . . 227 K N . 16555 1 889 . 1 1 85 85 ALA H H 1 8.279 0.000 0.01 1 . . . . 228 A HN . 16555 1 890 . 1 1 85 85 ALA HA H 1 4.279 0.000 0.01 1 . . . . 228 A HA . 16555 1 891 . 1 1 85 85 ALA HB1 H 1 1.385 0.000 0.01 1 . . . . 228 A HB1 . 16555 1 892 . 1 1 85 85 ALA HB2 H 1 1.385 0.000 0.01 1 . . . . 228 A HB1 . 16555 1 893 . 1 1 85 85 ALA HB3 H 1 1.385 0.000 0.01 1 . . . . 228 A HB1 . 16555 1 894 . 1 1 85 85 ALA CA C 13 52.332 0.000 0.1 1 . . . . 228 A CA . 16555 1 895 . 1 1 85 85 ALA CB C 13 19.217 0.000 0.1 1 . . . . 228 A CB . 16555 1 896 . 1 1 85 85 ALA N N 15 125.435 0.000 0.1 1 . . . . 228 A N . 16555 1 897 . 1 1 86 86 ARG H H 1 8.314 0.000 0.01 1 . . . . 229 R HN . 16555 1 898 . 1 1 86 86 ARG HA H 1 4.321 0.000 0.01 1 . . . . 229 R HA . 16555 1 899 . 1 1 86 86 ARG HB2 H 1 1.807 0.000 0.01 1 . . . . 229 R HB1 . 16555 1 900 . 1 1 86 86 ARG HB3 H 1 1.772 0.000 0.01 2 . . . . 229 R HB2 . 16555 1 901 . 1 1 86 86 ARG HD2 H 1 3.193 0.000 0.01 1 . . . . 229 R HD1 . 16555 1 902 . 1 1 86 86 ARG HG2 H 1 1.587 0.000 0.01 1 . . . . 229 R HG1 . 16555 1 903 . 1 1 86 86 ARG HG3 H 1 1.646 0.000 0.01 2 . . . . 229 R HG2 . 16555 1 904 . 1 1 86 86 ARG CA C 13 56.038 0.000 0.1 1 . . . . 229 R CA . 16555 1 905 . 1 1 86 86 ARG CB C 13 30.478 0.000 0.1 1 . . . . 229 R CB . 16555 1 906 . 1 1 86 86 ARG CD C 13 43.194 0.000 0.1 1 . . . . 229 R CD . 16555 1 907 . 1 1 86 86 ARG CG C 13 26.794 0.000 0.1 1 . . . . 229 R CG . 16555 1 908 . 1 1 86 86 ARG N N 15 120.961 0.000 0.1 1 . . . . 229 R N . 16555 1 909 . 1 1 87 87 VAL H H 1 8.234 0.000 0.01 1 . . . . 230 V HN . 16555 1 910 . 1 1 87 87 VAL HA H 1 4.108 0.000 0.01 1 . . . . 230 V HA . 16555 1 911 . 1 1 87 87 VAL HB H 1 2.063 0.000 0.01 1 . . . . 230 V HB . 16555 1 912 . 1 1 87 87 VAL HG11 H 1 0.939 0.000 0.01 2 . . . . 230 V HG11 . 16555 1 913 . 1 1 87 87 VAL HG12 H 1 0.939 0.000 0.01 2 . . . . 230 V HG11 . 16555 1 914 . 1 1 87 87 VAL HG13 H 1 0.939 0.000 0.01 2 . . . . 230 V HG11 . 16555 1 915 . 1 1 87 87 VAL CA C 13 62.421 0.000 0.1 1 . . . . 230 V CA . 16555 1 916 . 1 1 87 87 VAL CB C 13 32.526 0.000 0.1 1 . . . . 230 V CB . 16555 1 917 . 1 1 87 87 VAL CG1 C 13 20.831 0.000 0.1 2 . . . . 230 V CG1 . 16555 1 918 . 1 1 87 87 VAL N N 15 122.991 0.000 0.1 1 . . . . 230 V N . 16555 1 919 . 1 1 88 88 LEU H H 1 7.909 0.000 0.01 1 . . . . 231 L HN . 16555 1 920 . 1 1 88 88 LEU HA H 1 4.197 0.000 0.01 1 . . . . 231 L HA . 16555 1 921 . 1 1 88 88 LEU HB2 H 1 1.575 0.000 0.01 1 . . . . 231 L HB1 . 16555 1 922 . 1 1 88 88 LEU HD11 H 1 0.905 0.000 0.01 2 . . . . 231 L HD11 . 16555 1 923 . 1 1 88 88 LEU HD12 H 1 0.905 0.000 0.01 2 . . . . 231 L HD11 . 16555 1 924 . 1 1 88 88 LEU HD13 H 1 0.905 0.000 0.01 2 . . . . 231 L HD11 . 16555 1 925 . 1 1 88 88 LEU HD21 H 1 0.848 0.000 0.01 2 . . . . 231 L HD21 . 16555 1 926 . 1 1 88 88 LEU HD22 H 1 0.848 0.000 0.01 2 . . . . 231 L HD21 . 16555 1 927 . 1 1 88 88 LEU HD23 H 1 0.848 0.000 0.01 2 . . . . 231 L HD21 . 16555 1 928 . 1 1 88 88 LEU CA C 13 56.637 0.000 0.1 1 . . . . 231 L CA . 16555 1 929 . 1 1 88 88 LEU CB C 13 43.255 0.000 0.1 1 . . . . 231 L CB . 16555 1 930 . 1 1 88 88 LEU CD1 C 13 24.891 0.000 0.1 2 . . . . 231 L CD1 . 16555 1 931 . 1 1 88 88 LEU N N 15 131.856 0.000 0.1 1 . . . . 231 L N . 16555 1 stop_ save_