data_19240 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19240 _Entry.Title ; Human FKBP12-Major Form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-14 _Entry.Accession_date 2013-05-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 Sourajit Mustafi . Mitra . 19240 2 Hui Chen . . . 19240 3 Hongmin Li . . . 19240 4 David LeMaster . M. . 19240 5 Griselda Hernandez . . . 19240 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Wadsworth Center-NYS DOH' . 19240 2 . 'School of Public Health, University at Albany SUNY' . 19240 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19240 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 479 19240 '15N chemical shifts' 105 19240 '1H chemical shifts' 737 19240 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 . . 2014-08-06 2013-05-14 update author 'update assignments' 19240 1 . . 2013-07-15 2013-05-14 original author 'original release' 19240 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16931 'Partial list of chemical shifts for Human FKBP12' 19240 BMRB 19241 'Analyzing the visible conformational substates of the FK506-binding protein FKBP12' 19240 BMRB 19323 'Human FKBP12.6-major form' 19240 BMRB 19324 'Human FKBP12.6-Minor Form' 19240 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19240 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23688288 _Citation.Full_citation . _Citation.Title 'Analyzing the visible conformational substates of the FK506-binding protein FKBP12.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 453 _Citation.Journal_issue 3 _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 371 _Citation.Page_last 380 _Citation.Year 2013 _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 Sourajit Mustafi . M. . 19240 1 2 Hui Chen . . . 19240 1 3 Hongmin Li . . . 19240 1 4 David Lemaster . M. . 19240 1 5 Griselda Hernandez . . . 19240 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'conformational dynamics' 19240 1 FKBP12 19240 1 NMR 19240 1 'slow exchange' 19240 1 'X-ray structure' 19240 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19240 _Assembly.ID 1 _Assembly.Name FKBP12 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 11819.5 _Assembly.Enzyme_commission_number 5.2.1.8 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FKBP12 1 $FKBP12 A . yes native yes yes . . . 19240 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 2PPN . . X-ray 0.92 . . 19240 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FKBP12 _Entity.Sf_category entity _Entity.Sf_framecode FKBP12 _Entity.Entry_ID 19240 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FKBP12 _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 ; GVQVETISPGDGRTFPKRGQ TCVVHYTGMLEDGKKFDSSR DRNKPFKFMLGKQEVIRGWE EGVAQMSVGQRAKLTISPDY AYGATGHPGIIPPHATLVFD VELLKLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 5.2.1.8 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11819.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes BMRB 16931 . FKBP12 . . . . . . . . . . . . . . 19240 1 2 no BMRB 11471 . entity_1 . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 3 no BMRB 16925 . FKBP12 . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 4 no BMRB 16931 . FKBP12 . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 5 no BMRB 16933 . FKBP12 . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 6 no BMRB 19241 . FKBP12 . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 7 no PDB 1A7X . "Fkbp12-Fk1012 Complex" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 8 no PDB 1B6C . "Crystal Structure Of The Cytoplasmic Domain Of The Type I Tgf-Beta Receptor In Complex With Fkbp12" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 9 no PDB 1BKF . "Fk506 Binding Protein Fkbp Mutant R42kH87V COMPLEX WITH Immunosuppressant Fk506" . . . . . 100.00 107 98.13 99.07 3.53e-70 . . . . 19240 1 10 no PDB 1BL4 . "Fkbp Mutant F36v Complexed With Remodeled Synthetic Ligand" . . . . . 100.00 107 99.07 99.07 3.23e-71 . . . . 19240 1 11 no PDB 1D6O . "Native Fkbp" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 12 no PDB 1D7H . "Fkbp Complexed With Dmso" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 13 no PDB 1D7I . "Fkbp Complexed With Methyl Methylsulfinylmethyl Sulfide (Dss)" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 14 no PDB 1D7J . "Fkbp Complexed With 4-Hydroxy-2-Butanone" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 15 no PDB 1EYM . "Fk506 Binding Protein Mutant, Homodimeric Complex" . . . . . 100.00 107 99.07 99.07 2.46e-71 . . . . 19240 1 16 no PDB 1F40 . "Solution Structure Of Fkbp12 Complexed With Gpi-1046, A Neurotrophic Ligand" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 17 no PDB 1FAP . "The Structure Of The Immunophilin-Immunosuppressant Fkbp12- Rapamycin Complex Interacting With Human Frap" . . . . . 99.07 107 100.00 100.00 1.52e-71 . . . . 19240 1 18 no PDB 1FKB . "Atomic Structure Of The Rapamycin Human Immunophilin Fkbp- 12 Complex" . . . . . 99.07 107 100.00 100.00 1.52e-71 . . . . 19240 1 19 no PDB 1FKD . "Fk-506 Binding Protein: Three-Dimensional Structure Of The Complex With The Antagonist L-685,818" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 20 no PDB 1FKF . "Atomic Structure Of Fkbp-Fk506, An Immunophilin-Immunosuppressant Complex" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 21 no PDB 1FKG . "Design, Synthesis, And Kinetic Evaluation Of High-Affinity Fkbp Ligands, And The X-Ray Crystal Structures Of Their Complexes Wi" . . . . . 99.07 107 100.00 100.00 1.52e-71 . . . . 19240 1 22 no PDB 1FKH . "Design, Synthesis, And Kinetic Evaluation Of High-Affinity Fkbp Ligands, And The X-Ray Crystal Structures Of Their Complexes Wi" . . . . . 99.07 107 100.00 100.00 1.52e-71 . . . . 19240 1 23 no PDB 1FKI . "Design, Synthesis, And Kinetic Evaluation Of High-Affinity Fkbp Ligands, And The X-Ray Crystal Structures Of Their Complexes Wi" . . . . . 99.07 107 100.00 100.00 1.52e-71 . . . . 19240 1 24 no PDB 1FKJ . "Atomic Structure Of Fkbp12-Fk506, An Immunophilin Immunosuppressant Complex" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 25 no PDB 1FKK . "Atomic Structure Of Fkbp12, An Immunophilin Binding Protein" . . . . . 100.00 107 97.20 100.00 1.87e-70 . . . . 19240 1 26 no PDB 1FKL . "Atomic Structure Of Fkbp12-Rapaymycin, An Immunophilin- Immunosuppressant Complex" . . . . . 100.00 107 97.20 100.00 1.87e-70 . . . . 19240 1 27 no PDB 1FKR . "Solution Structure Of Fkbp, A Rotamase Enzyme And Receptor For Fk506 And Rapamycin" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 28 no PDB 1FKS . "Solution Structure Of Fkbp, A Rotamase Enzyme And Receptor For Fk506 And Rapamycin" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 29 no PDB 1FKT . "Solution Structure Of Fkbp, A Rotamase Enzyme And Receptor For Fk506 And Rapamycin" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 30 no PDB 1J4H . "Crystal Structure Analysis Of The Fkbp12 Complexed With 000107 Small Molecule" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 31 no PDB 1J4I . "Crystal Structure Analysis Of The Fkbp12 Complexed With 000308 Small Molecule" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 32 no PDB 1J4R . "Fk506 Binding Protein Complexed With Fkb-001" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 33 no PDB 1NSG . "The Structure Of The Immunophilin-immunosuppressant Fkbp12-rapamycin Complex Interacting With Human Frap" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 34 no PDB 1QPF . "Fk506 Binding Protein (12 Kda, Human) Complex With L-709,858" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 35 no PDB 1QPL . "Fk506 Binding Protein (12 Kda, Human) Complex With L-707,587" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 36 no PDB 1TCO . "Ternary Complex Of A Calcineurin A Fragment, Calcineurin B, Fkbp12 And The Immunosuppressant Drug Fk506 (tacrolimus)" . . . . . 100.00 107 99.07 99.07 2.81e-71 . . . . 19240 1 37 no PDB 2DG3 . "Wildtype Fk506-Binding Protein Complexed With Rapamycin" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 38 no PDB 2DG4 . "Fk506-Binding Protein Mutant Wf59 Complexed With Rapamycin" . . . . . 100.00 107 99.07 100.00 4.16e-71 . . . . 19240 1 39 no PDB 2DG9 . "Fk506-Binding Protein Mutant Wl59 Complexed With Rapamycin" . . . . . 100.00 107 99.07 99.07 7.66e-71 . . . . 19240 1 40 no PDB 2FAP . "The Structure Of The Immunophilin-immunosuppressant Fkbp12-(c16)- Ethoxy Rapamycin Complex Interacting With Huma" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 41 no PDB 2FKE . "Fk-506-Binding Protein: Three-Dimensional Structure Of The Complex With The Antagonist L-685,818" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 42 no PDB 2PPN . "Crystal Structure Of Fkbp12" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 43 no PDB 2PPO . "Crystal Structure Of E60a Mutant Of Fkbp12" . . . . . 100.00 107 99.07 99.07 1.68e-71 . . . . 19240 1 44 no PDB 2PPP . "Crystal Structure Of E60q Mutant Of Fkbp12" . . . . . 100.00 107 99.07 100.00 9.42e-72 . . . . 19240 1 45 no PDB 2RSE . "Nmr Structure Of Fkbp12-Mtor Frb Domain-Rapamycin Complex Structure Determined Based On Pcs" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 46 no PDB 3FAP . "Atomic Structures Of The Rapamycin Analogs In Complex With Both Human Fkbp12 And Frb Domain Of Frap" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 47 no PDB 3H9R . "Crystal Structure Of The Kinase Domain Of Type I Activin Receptor (Acvr1) In Complex With Fkbp12 And Dorsomorphin" . . . . . 100.00 109 100.00 100.00 2.25e-72 . . . . 19240 1 48 no PDB 3MDY . "Crystal Structure Of The Cytoplasmic Domain Of The Bone Morp Protein Receptor Type-1b (Bmpr1b) In Complex With Fkbp12 An 193189" . . . . . 100.00 109 100.00 100.00 2.25e-72 . . . . 19240 1 49 no PDB 4DH0 . "X-Ray Crystal Structure Of 28-O-Methylrapamycin Complexed With Fkbp12: Is The Cyclohexyl Moiety Part Of The Effector Domain Of " . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 50 no PDB 4FAP . "Atomic Structures Of The Rapamycin Analogs In Complex With Both Human Fkbp12 And Frb Domain Of Frap" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 19240 1 51 no PDB 4IPX . "Analyzing The Visible Conformational Substates Of The Fk506 Binding Protein Fkbp12" . . . . . 100.00 107 98.13 98.13 2.13e-69 . . . . 19240 1 52 no PDB 4N19 . "Structural Basis Of Conformational Transitions In The Active Site And 80 S Loop In The Fk506 Binding Protein Fkbp12" . . . . . 100.00 107 98.13 98.13 9.95e-70 . . . . 19240 1 53 no DBJ BAB22351 . "unnamed protein product [Mus musculus]" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 19240 1 54 no DBJ BAB27125 . "unnamed protein product [Mus musculus]" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 19240 1 55 no DBJ BAB31680 . "unnamed protein product [Mus musculus]" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 19240 1 56 no DBJ BAE32804 . "unnamed protein product [Mus musculus]" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 19240 1 57 no DBJ BAE40271 . "unnamed protein product [Mus musculus]" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 19240 1 58 no EMBL CAA36462 . "FK-506 binding protein [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 19240 1 59 no EMBL CAA39272 . "FKBP [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 19240 1 60 no EMBL CAA42762 . "FK506-binding protein [Mus musculus]" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 19240 1 61 no EMBL CAG28541 . "FKBP1A [Homo sapiens]" . . . . . 100.00 108 98.13 99.07 2.20e-70 . . . . 19240 1 62 no EMBL CAG46965 . "FKBP1A [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 19240 1 63 no GB AAA19163 . "immunophilin FKBP12 [Rattus norvegicus]" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 19240 1 64 no GB AAA31252 . "binding protein [Oryctolagus cuniculus]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 19240 1 65 no GB AAA35844 . "FK506-binding protein (FKBP) [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 19240 1 66 no GB AAA58472 . "FKBP-12 protein [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 19240 1 67 no GB AAA58476 . "FK506-binding protein 12 [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 19240 1 68 no PRF 1613455A . "FK506 binding protein FKBP" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 19240 1 69 no REF NP_000792 . "peptidyl-prolyl cis-trans isomerase FKBP1A isoform a [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 19240 1 70 no REF NP_001030533 . "peptidyl-prolyl cis-trans isomerase FKBP1A [Bos taurus]" . . . . . 100.00 108 97.20 100.00 1.62e-70 . . . . 19240 1 71 no REF NP_001033089 . "peptidyl-prolyl cis-trans isomerase FKBP1A [Sus scrofa]" . . . . . 100.00 108 98.13 100.00 1.15e-70 . . . . 19240 1 72 no REF NP_001164597 . "peptidyl-prolyl cis-trans isomerase FKBP1A [Oryctolagus cuniculus]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 19240 1 73 no REF NP_001239119 . "peptidyl-prolyl cis-trans isomerase FKBP1A [Canis lupus familiaris]" . . . . . 100.00 108 99.07 100.00 1.91e-71 . . . . 19240 1 74 no SP P18203 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP1A; Short=PPIase FKBP1A; AltName: Full=12 kDa FK506-binding protein; Shor" . . . . . 100.00 108 97.20 100.00 1.62e-70 . . . . 19240 1 75 no SP P26883 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP1A; Short=PPIase FKBP1A; AltName: Full=12 kDa FK506-binding protein; Shor" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 19240 1 76 no SP P62942 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP1A; Short=PPIase FKBP1A; AltName: Full=12 kDa FK506-binding protein; Shor" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 19240 1 77 no SP P62943 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP1A; Short=PPIase FKBP1A; AltName: Full=12 kDa FK506-binding protein; Shor" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 19240 1 78 no SP Q62658 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP1A; Short=PPIase FKBP1A; AltName: Full=12 kDa FK506-binding protein; Shor" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 19240 1 79 no TPG DAA23300 . "TPA: peptidyl-prolyl cis-trans isomerase FKBP1A [Bos taurus]" . . . . . 100.00 108 97.20 100.00 1.62e-70 . . . . 19240 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Immunophilin,Ryanodine binding' 19240 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 . GLY . 19240 1 2 . VAL . 19240 1 3 . GLN . 19240 1 4 . VAL . 19240 1 5 . GLU . 19240 1 6 . THR . 19240 1 7 . ILE . 19240 1 8 . SER . 19240 1 9 . PRO . 19240 1 10 . GLY . 19240 1 11 . ASP . 19240 1 12 . GLY . 19240 1 13 . ARG . 19240 1 14 . THR . 19240 1 15 . PHE . 19240 1 16 . PRO . 19240 1 17 . LYS . 19240 1 18 . ARG . 19240 1 19 . GLY . 19240 1 20 . GLN . 19240 1 21 . THR . 19240 1 22 . CYS . 19240 1 23 . VAL . 19240 1 24 . VAL . 19240 1 25 . HIS . 19240 1 26 . TYR . 19240 1 27 . THR . 19240 1 28 . GLY . 19240 1 29 . MET . 19240 1 30 . LEU . 19240 1 31 . GLU . 19240 1 32 . ASP . 19240 1 33 . GLY . 19240 1 34 . LYS . 19240 1 35 . LYS . 19240 1 36 . PHE . 19240 1 37 . ASP . 19240 1 38 . SER . 19240 1 39 . SER . 19240 1 40 . ARG . 19240 1 41 . ASP . 19240 1 42 . ARG . 19240 1 43 . ASN . 19240 1 44 . LYS . 19240 1 45 . PRO . 19240 1 46 . PHE . 19240 1 47 . LYS . 19240 1 48 . PHE . 19240 1 49 . MET . 19240 1 50 . LEU . 19240 1 51 . GLY . 19240 1 52 . LYS . 19240 1 53 . GLN . 19240 1 54 . GLU . 19240 1 55 . VAL . 19240 1 56 . ILE . 19240 1 57 . ARG . 19240 1 58 . GLY . 19240 1 59 . TRP . 19240 1 60 . GLU . 19240 1 61 . GLU . 19240 1 62 . GLY . 19240 1 63 . VAL . 19240 1 64 . ALA . 19240 1 65 . GLN . 19240 1 66 . MET . 19240 1 67 . SER . 19240 1 68 . VAL . 19240 1 69 . GLY . 19240 1 70 . GLN . 19240 1 71 . ARG . 19240 1 72 . ALA . 19240 1 73 . LYS . 19240 1 74 . LEU . 19240 1 75 . THR . 19240 1 76 . ILE . 19240 1 77 . SER . 19240 1 78 . PRO . 19240 1 79 . ASP . 19240 1 80 . TYR . 19240 1 81 . ALA . 19240 1 82 . TYR . 19240 1 83 . GLY . 19240 1 84 . ALA . 19240 1 85 . THR . 19240 1 86 . GLY . 19240 1 87 . HIS . 19240 1 88 . PRO . 19240 1 89 . GLY . 19240 1 90 . ILE . 19240 1 91 . ILE . 19240 1 92 . PRO . 19240 1 93 . PRO . 19240 1 94 . HIS . 19240 1 95 . ALA . 19240 1 96 . THR . 19240 1 97 . LEU . 19240 1 98 . VAL . 19240 1 99 . PHE . 19240 1 100 . ASP . 19240 1 101 . VAL . 19240 1 102 . GLU . 19240 1 103 . LEU . 19240 1 104 . LEU . 19240 1 105 . LYS . 19240 1 106 . LEU . 19240 1 107 . GLU . 19240 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19240 1 . VAL 2 2 19240 1 . GLN 3 3 19240 1 . VAL 4 4 19240 1 . GLU 5 5 19240 1 . THR 6 6 19240 1 . ILE 7 7 19240 1 . SER 8 8 19240 1 . PRO 9 9 19240 1 . GLY 10 10 19240 1 . ASP 11 11 19240 1 . GLY 12 12 19240 1 . ARG 13 13 19240 1 . THR 14 14 19240 1 . PHE 15 15 19240 1 . PRO 16 16 19240 1 . LYS 17 17 19240 1 . ARG 18 18 19240 1 . GLY 19 19 19240 1 . GLN 20 20 19240 1 . THR 21 21 19240 1 . CYS 22 22 19240 1 . VAL 23 23 19240 1 . VAL 24 24 19240 1 . HIS 25 25 19240 1 . TYR 26 26 19240 1 . THR 27 27 19240 1 . GLY 28 28 19240 1 . MET 29 29 19240 1 . LEU 30 30 19240 1 . GLU 31 31 19240 1 . ASP 32 32 19240 1 . GLY 33 33 19240 1 . LYS 34 34 19240 1 . LYS 35 35 19240 1 . PHE 36 36 19240 1 . ASP 37 37 19240 1 . SER 38 38 19240 1 . SER 39 39 19240 1 . ARG 40 40 19240 1 . ASP 41 41 19240 1 . ARG 42 42 19240 1 . ASN 43 43 19240 1 . LYS 44 44 19240 1 . PRO 45 45 19240 1 . PHE 46 46 19240 1 . LYS 47 47 19240 1 . PHE 48 48 19240 1 . MET 49 49 19240 1 . LEU 50 50 19240 1 . GLY 51 51 19240 1 . LYS 52 52 19240 1 . GLN 53 53 19240 1 . GLU 54 54 19240 1 . VAL 55 55 19240 1 . ILE 56 56 19240 1 . ARG 57 57 19240 1 . GLY 58 58 19240 1 . TRP 59 59 19240 1 . GLU 60 60 19240 1 . GLU 61 61 19240 1 . GLY 62 62 19240 1 . VAL 63 63 19240 1 . ALA 64 64 19240 1 . GLN 65 65 19240 1 . MET 66 66 19240 1 . SER 67 67 19240 1 . VAL 68 68 19240 1 . GLY 69 69 19240 1 . GLN 70 70 19240 1 . ARG 71 71 19240 1 . ALA 72 72 19240 1 . LYS 73 73 19240 1 . LEU 74 74 19240 1 . THR 75 75 19240 1 . ILE 76 76 19240 1 . SER 77 77 19240 1 . PRO 78 78 19240 1 . ASP 79 79 19240 1 . TYR 80 80 19240 1 . ALA 81 81 19240 1 . TYR 82 82 19240 1 . GLY 83 83 19240 1 . ALA 84 84 19240 1 . THR 85 85 19240 1 . GLY 86 86 19240 1 . HIS 87 87 19240 1 . PRO 88 88 19240 1 . GLY 89 89 19240 1 . ILE 90 90 19240 1 . ILE 91 91 19240 1 . PRO 92 92 19240 1 . PRO 93 93 19240 1 . HIS 94 94 19240 1 . ALA 95 95 19240 1 . THR 96 96 19240 1 . LEU 97 97 19240 1 . VAL 98 98 19240 1 . PHE 99 99 19240 1 . ASP 100 100 19240 1 . VAL 101 101 19240 1 . GLU 102 102 19240 1 . LEU 103 103 19240 1 . LEU 104 104 19240 1 . LYS 105 105 19240 1 . LEU 106 106 19240 1 . GLU 107 107 19240 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 19240 _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 $FKBP12 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19240 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 19240 _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 $FKBP12 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET11a . . . . . . 19240 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19240 _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 FKBP12 '[U-99% 13C; U-99% 15N]' . . 1 $FKBP12 . . 1.5 . . mM . . . . 19240 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19240 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19240 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 19240 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19240 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19240 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19240 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FKBP12 '[U-98% 15N]' . . 1 $FKBP12 . . 1.5 . . mM . . . . 19240 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19240 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19240 2 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 19240 2 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19240 2 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19240 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19240 _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 19240 1 pH 6.50 . pH 19240 1 pressure 1 . atm 19240 1 temperature 298.15 . K 19240 1 stop_ save_ save_sample_condition_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_2 _Sample_condition_list.Entry_ID 19240 _Sample_condition_list.ID 2 _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 19240 2 pH 6.50 . pH 19240 2 pressure 1 . atm 19240 2 temperature 298.15 . K 19240 2 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 19240 _Software.ID 1 _Software.Name FELIX _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 19240 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19240 1 'peak picking' 19240 1 processing 19240 1 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 19240 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19240 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19240 _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 . 600 . . . 19240 1 2 spectrometer_2 Bruker Avance . 900 . . . 19240 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 19240 _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 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19240 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19240 1 3 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19240 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19240 1 5 '3D HCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19240 1 6 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19240 1 7 '2D 1H-13C HSQC aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19240 1 8 '2D 1H-13C HSQC aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19240 1 9 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . . . . . . . . . . . . . . . . . . . 19240 1 10 '2D DQF-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . . . . . . . . . . . . . . . . . . . 19240 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19240 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Felix _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19240 _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 . . . . . . . . . 19240 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19240 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19240 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 19240 _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 '3D CBCA(CO)NH' . . . 19240 1 2 '3D HNCACB' . . . 19240 1 3 '3D HCCH-TOCSY' . . . 19240 1 4 '3D HNCO' . . . 19240 1 5 '3D HCACO' . . . 19240 1 6 '3D H(CCO)NH' . . . 19240 1 7 '2D 1H-13C HSQC aliphatic' . . . 19240 1 8 '2D 1H-13C HSQC aromatic' . . . 19240 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 1 1 GLY HA2 H 1 3.211 . . 1 . . . . 1 GLY HA2 . 19240 1 2 . 1 1 1 1 GLY HA3 H 1 1.541 . . 1 . . . . 1 GLY HA3 . 19240 1 3 . 1 1 1 1 GLY C C 13 168.598 . . 1 . . . . 1 GLY C . 19240 1 4 . 1 1 1 1 GLY CA C 13 42.246 . . 1 . . . . 1 GLY CA . 19240 1 5 . 1 1 2 2 VAL H H 1 8.491 . . 1 . . . . 2 VAL H . 19240 1 6 . 1 1 2 2 VAL HA H 1 5.083 . . 1 . . . . 2 VAL HA . 19240 1 7 . 1 1 2 2 VAL HB H 1 1.756 . . 1 . . . . 2 VAL HB . 19240 1 8 . 1 1 2 2 VAL HG11 H 1 0.864 . . 1 . . . . 2 VAL HG11 . 19240 1 9 . 1 1 2 2 VAL HG12 H 1 0.864 . . 1 . . . . 2 VAL HG12 . 19240 1 10 . 1 1 2 2 VAL HG13 H 1 0.864 . . 1 . . . . 2 VAL HG13 . 19240 1 11 . 1 1 2 2 VAL HG21 H 1 0.770 . . 1 . . . . 2 VAL HG21 . 19240 1 12 . 1 1 2 2 VAL HG22 H 1 0.770 . . 1 . . . . 2 VAL HG22 . 19240 1 13 . 1 1 2 2 VAL HG23 H 1 0.770 . . 1 . . . . 2 VAL HG23 . 19240 1 14 . 1 1 2 2 VAL C C 13 172.931 . . 1 . . . . 2 VAL C . 19240 1 15 . 1 1 2 2 VAL CA C 13 58.689 . . 1 . . . . 2 VAL CA . 19240 1 16 . 1 1 2 2 VAL CB C 13 34.596 . . 1 . . . . 2 VAL CB . 19240 1 17 . 1 1 2 2 VAL CG1 C 13 22.381 . . 1 . . . . 2 VAL CG1 . 19240 1 18 . 1 1 2 2 VAL CG2 C 13 18.647 . . 1 . . . . 2 VAL CG2 . 19240 1 19 . 1 1 2 2 VAL N N 15 120.857 . . 1 . . . . 2 VAL N . 19240 1 20 . 1 1 3 3 GLN H H 1 8.526 . . 1 . . . . 3 GLN H . 19240 1 21 . 1 1 3 3 GLN HA H 1 4.628 . . 1 . . . . 3 GLN HA . 19240 1 22 . 1 1 3 3 GLN HB2 H 1 2.03 . . 1 . . . . 3 GLN HB2 . 19240 1 23 . 1 1 3 3 GLN HB3 H 1 1.89 . . 1 . . . . 3 GLN HB3 . 19240 1 24 . 1 1 3 3 GLN HG3 H 1 2.228 . . 1 . . . . 3 GLN HG3 . 19240 1 25 . 1 1 3 3 GLN HE21 H 1 7.338 . . 1 . . . . 3 GLN HE21 . 19240 1 26 . 1 1 3 3 GLN HE22 H 1 6.768 . . 1 . . . . 3 GLN HE22 . 19240 1 27 . 1 1 3 3 GLN C C 13 174.462 . . 1 . . . . 3 GLN C . 19240 1 28 . 1 1 3 3 GLN CA C 13 54.249 . . 1 . . . . 3 GLN CA . 19240 1 29 . 1 1 3 3 GLN CB C 13 31.221 . . 1 . . . . 3 GLN CB . 19240 1 30 . 1 1 3 3 GLN CG C 13 33.857 . . 1 . . . . 3 GLN CG . 19240 1 31 . 1 1 3 3 GLN N N 15 127.672 . . 1 . . . . 3 GLN N . 19240 1 32 . 1 1 3 3 GLN NE2 N 15 111.315 . . 1 . . . . 3 GLN NE2 . 19240 1 33 . 1 1 4 4 VAL H H 1 8.803 . . 1 . . . . 4 VAL H . 19240 1 34 . 1 1 4 4 VAL HA H 1 4.454 . . 1 . . . . 4 VAL HA . 19240 1 35 . 1 1 4 4 VAL HB H 1 1.955 . . 1 . . . . 4 VAL HB . 19240 1 36 . 1 1 4 4 VAL HG11 H 1 0.584 . . 1 . . . . 4 VAL HG11 . 19240 1 37 . 1 1 4 4 VAL HG12 H 1 0.584 . . 1 . . . . 4 VAL HG12 . 19240 1 38 . 1 1 4 4 VAL HG13 H 1 0.584 . . 1 . . . . 4 VAL HG13 . 19240 1 39 . 1 1 4 4 VAL HG21 H 1 0.744 . . 1 . . . . 4 VAL HG21 . 19240 1 40 . 1 1 4 4 VAL HG22 H 1 0.744 . . 1 . . . . 4 VAL HG22 . 19240 1 41 . 1 1 4 4 VAL HG23 H 1 0.744 . . 1 . . . . 4 VAL HG23 . 19240 1 42 . 1 1 4 4 VAL C C 13 175.255 . . 1 . . . . 4 VAL C . 19240 1 43 . 1 1 4 4 VAL CA C 13 61.986 . . 1 . . . . 4 VAL CA . 19240 1 44 . 1 1 4 4 VAL CB C 13 32.907 . . 1 . . . . 4 VAL CB . 19240 1 45 . 1 1 4 4 VAL CG1 C 13 20.578 . . 1 . . . . 4 VAL CG1 . 19240 1 46 . 1 1 4 4 VAL CG2 C 13 21.150 . . 1 . . . . 4 VAL CG2 . 19240 1 47 . 1 1 4 4 VAL N N 15 125.506 . . 1 . . . . 4 VAL N . 19240 1 48 . 1 1 5 5 GLU H H 1 8.993 . . 1 . . . . 5 GLU H . 19240 1 49 . 1 1 5 5 GLU HA H 1 4.725 . . 1 . . . . 5 GLU HA . 19240 1 50 . 1 1 5 5 GLU HB2 H 1 1.878 . . 1 . . . . 5 GLU HB2 . 19240 1 51 . 1 1 5 5 GLU HB3 H 1 2.039 . . 1 . . . . 5 GLU HB3 . 19240 1 52 . 1 1 5 5 GLU HG2 H 1 2.1 . . 1 . . . . 5 GLU HG2 . 19240 1 53 . 1 1 5 5 GLU HG3 H 1 2.1 . . 1 . . . . 5 GLU HG3 . 19240 1 54 . 1 1 5 5 GLU C C 13 175.55 . . 1 . . . . 5 GLU C . 19240 1 55 . 1 1 5 5 GLU CA C 13 54.16 . . 1 . . . . 5 GLU CA . 19240 1 56 . 1 1 5 5 GLU CB C 13 32.622 . . 1 . . . . 5 GLU CB . 19240 1 57 . 1 1 5 5 GLU CG C 13 36.417 . . 1 . . . . 5 GLU CG . 19240 1 58 . 1 1 5 5 GLU N N 15 128.8 . . 1 . . . . 5 GLU N . 19240 1 59 . 1 1 6 6 THR H H 1 9.126 . . 1 . . . . 6 THR H . 19240 1 60 . 1 1 6 6 THR HA H 1 3.838 . . 1 . . . . 6 THR HA . 19240 1 61 . 1 1 6 6 THR HB H 1 4.017 . . 1 . . . . 6 THR HB . 19240 1 62 . 1 1 6 6 THR HG21 H 1 1.056 . . 1 . . . . 6 THR HG21 . 19240 1 63 . 1 1 6 6 THR HG22 H 1 1.056 . . 1 . . . . 6 THR HG22 . 19240 1 64 . 1 1 6 6 THR HG23 H 1 1.056 . . 1 . . . . 6 THR HG23 . 19240 1 65 . 1 1 6 6 THR C C 13 173.493 . . 1 . . . . 6 THR C . 19240 1 66 . 1 1 6 6 THR CA C 13 66.671 . . 1 . . . . 6 THR CA . 19240 1 67 . 1 1 6 6 THR CB C 13 68.824 . . 1 . . . . 6 THR CB . 19240 1 68 . 1 1 6 6 THR CG2 C 13 22.278 . . 1 . . . . 6 THR CG2 . 19240 1 69 . 1 1 6 6 THR N N 15 124.37 . . 1 . . . . 6 THR N . 19240 1 70 . 1 1 7 7 ILE H H 1 9.295 . . 1 . . . . 7 ILE H . 19240 1 71 . 1 1 7 7 ILE HA H 1 4.005 . . 1 . . . . 7 ILE HA . 19240 1 72 . 1 1 7 7 ILE HB H 1 1.227 . . 1 . . . . 7 ILE HB . 19240 1 73 . 1 1 7 7 ILE HG12 H 1 0.988 . . 1 . . . . 7 ILE HG12 . 19240 1 74 . 1 1 7 7 ILE HG13 H 1 1.489 . . 1 . . . . 7 ILE HG13 . 19240 1 75 . 1 1 7 7 ILE HG21 H 1 0.797 . . 1 . . . . 7 ILE HG21 . 19240 1 76 . 1 1 7 7 ILE HG22 H 1 0.797 . . 1 . . . . 7 ILE HG22 . 19240 1 77 . 1 1 7 7 ILE HG23 H 1 0.797 . . 1 . . . . 7 ILE HG23 . 19240 1 78 . 1 1 7 7 ILE HD11 H 1 0.653 . . 1 . . . . 7 ILE HD11 . 19240 1 79 . 1 1 7 7 ILE HD12 H 1 0.653 . . 1 . . . . 7 ILE HD12 . 19240 1 80 . 1 1 7 7 ILE HD13 H 1 0.653 . . 1 . . . . 7 ILE HD13 . 19240 1 81 . 1 1 7 7 ILE C C 13 175.596 . . 1 . . . . 7 ILE C . 19240 1 82 . 1 1 7 7 ILE CA C 13 63.216 . . 1 . . . . 7 ILE CA . 19240 1 83 . 1 1 7 7 ILE CB C 13 39.609 . . 1 . . . . 7 ILE CB . 19240 1 84 . 1 1 7 7 ILE CG1 C 13 27.647 . . 1 . . . . 7 ILE CG1 . 19240 1 85 . 1 1 7 7 ILE CG2 C 13 16.562 . . 1 . . . . 7 ILE CG2 . 19240 1 86 . 1 1 7 7 ILE CD1 C 13 13.418 . . 1 . . . . 7 ILE CD1 . 19240 1 87 . 1 1 7 7 ILE N N 15 129.531 . . 1 . . . . 7 ILE N . 19240 1 88 . 1 1 8 8 SER H H 1 8.249 . . 1 . . . . 8 SER H . 19240 1 89 . 1 1 8 8 SER HA H 1 4.929 . . 1 . . . . 8 SER HA . 19240 1 90 . 1 1 8 8 SER HB2 H 1 3.811 . . 1 . . . . 8 SER HB2 . 19240 1 91 . 1 1 8 8 SER HB3 H 1 3.735 . . 1 . . . . 8 SER HB3 . 19240 1 92 . 1 1 8 8 SER C C 13 171.717 . . 1 . . . . 8 SER C . 19240 1 93 . 1 1 8 8 SER CA C 13 55.548 . . 1 . . . . 8 SER CA . 19240 1 94 . 1 1 8 8 SER CB C 13 64.276 . . 1 . . . . 8 SER CB . 19240 1 95 . 1 1 8 8 SER N N 15 114.711 . . 1 . . . . 8 SER N . 19240 1 96 . 1 1 9 9 PRO HA H 1 4.276 . . 1 . . . . 9 PRO HA . 19240 1 97 . 1 1 9 9 PRO HB2 H 1 2.043 . . 1 . . . . 9 PRO HB2 . 19240 1 98 . 1 1 9 9 PRO HB3 H 1 2.228 . . 1 . . . . 9 PRO HB3 . 19240 1 99 . 1 1 9 9 PRO HG2 H 1 1.96 . . 1 . . . . 9 PRO HG2 . 19240 1 100 . 1 1 9 9 PRO HG3 H 1 1.96 . . 1 . . . . 9 PRO HG3 . 19240 1 101 . 1 1 9 9 PRO HD2 H 1 3.666 . . 1 . . . . 9 PRO HD2 . 19240 1 102 . 1 1 9 9 PRO HD3 H 1 3.745 . . 1 . . . . 9 PRO HD3 . 19240 1 103 . 1 1 9 9 PRO C C 13 177.48 . . 1 . . . . 9 PRO C . 19240 1 104 . 1 1 9 9 PRO CA C 13 63.562 . . 1 . . . . 9 PRO CA . 19240 1 105 . 1 1 9 9 PRO CB C 13 32.572 . . 1 . . . . 9 PRO CB . 19240 1 106 . 1 1 9 9 PRO CG C 13 26.967 . . 1 . . . . 9 PRO CG . 19240 1 107 . 1 1 9 9 PRO CD C 13 51.054 . . 1 . . . . 9 PRO CD . 19240 1 108 . 1 1 10 10 GLY H H 1 8.425 . . 1 . . . . 10 GLY H . 19240 1 109 . 1 1 10 10 GLY HA2 H 1 4.09 . . 1 . . . . 10 GLY HA2 . 19240 1 110 . 1 1 10 10 GLY HA3 H 1 3.464 . . 1 . . . . 10 GLY HA3 . 19240 1 111 . 1 1 10 10 GLY C C 13 173.999 . . 1 . . . . 10 GLY C . 19240 1 112 . 1 1 10 10 GLY CA C 13 44.065 . . 1 . . . . 10 GLY CA . 19240 1 113 . 1 1 10 10 GLY N N 15 107.853 . . 1 . . . . 10 GLY N . 19240 1 114 . 1 1 11 11 ASP H H 1 7.989 . . 1 . . . . 11 ASP H . 19240 1 115 . 1 1 11 11 ASP HA H 1 4.232 . . 1 . . . . 11 ASP HA . 19240 1 116 . 1 1 11 11 ASP HB2 H 1 2.904 . . 1 . . . . 11 ASP HB2 . 19240 1 117 . 1 1 11 11 ASP HB3 H 1 2.663 . . 1 . . . . 11 ASP HB3 . 19240 1 118 . 1 1 11 11 ASP C C 13 178.158 . . 1 . . . . 11 ASP C . 19240 1 119 . 1 1 11 11 ASP CA C 13 54.559 . . 1 . . . . 11 ASP CA . 19240 1 120 . 1 1 11 11 ASP CB C 13 39.051 . . 1 . . . . 11 ASP CB . 19240 1 121 . 1 1 11 11 ASP N N 15 118.815 . . 1 . . . . 11 ASP N . 19240 1 122 . 1 1 12 12 GLY H H 1 8.675 . . 1 . . . . 12 GLY H . 19240 1 123 . 1 1 12 12 GLY HA2 H 1 3.94 . . 1 . . . . 12 GLY HA2 . 19240 1 124 . 1 1 12 12 GLY HA3 H 1 3.399 . . 1 . . . . 12 GLY HA3 . 19240 1 125 . 1 1 12 12 GLY C C 13 173.093 . . 1 . . . . 12 GLY C . 19240 1 126 . 1 1 12 12 GLY CA C 13 45.956 . . 1 . . . . 12 GLY CA . 19240 1 127 . 1 1 12 12 GLY N N 15 108.212 . . 1 . . . . 12 GLY N . 19240 1 128 . 1 1 13 13 ARG H H 1 8.485 . . 1 . . . . 13 ARG H . 19240 1 129 . 1 1 13 13 ARG HA H 1 4.653 . . 1 . . . . 13 ARG HA . 19240 1 130 . 1 1 13 13 ARG HB2 H 1 1.465 . . 1 . . . . 13 ARG HB2 . 19240 1 131 . 1 1 13 13 ARG HB3 H 1 1.662 . . 1 . . . . 13 ARG HB3 . 19240 1 132 . 1 1 13 13 ARG HG2 H 1 1.356 . . 1 . . . . 13 ARG HG2 . 19240 1 133 . 1 1 13 13 ARG HG3 H 1 1.465 . . 1 . . . . 13 ARG HG3 . 19240 1 134 . 1 1 13 13 ARG HD2 H 1 3.084 . . 1 . . . . 13 ARG HD2 . 19240 1 135 . 1 1 13 13 ARG HD3 H 1 3.084 . . 1 . . . . 13 ARG HD3 . 19240 1 136 . 1 1 13 13 ARG C C 13 174.856 . . 1 . . . . 13 ARG C . 19240 1 137 . 1 1 13 13 ARG CA C 13 56.759 . . 1 . . . . 13 ARG CA . 19240 1 138 . 1 1 13 13 ARG CB C 13 34.039 . . 1 . . . . 13 ARG CB . 19240 1 139 . 1 1 13 13 ARG CG C 13 26.437 . . 1 . . . . 13 ARG CG . 19240 1 140 . 1 1 13 13 ARG CD C 13 43.137 . . 1 . . . . 13 ARG CD . 19240 1 141 . 1 1 13 13 ARG N N 15 117.596 . . 1 . . . . 13 ARG N . 19240 1 142 . 1 1 14 14 THR H H 1 10.146 . . 1 . . . . 14 THR H . 19240 1 143 . 1 1 14 14 THR HA H 1 4.139 . . 1 . . . . 14 THR HA . 19240 1 144 . 1 1 14 14 THR HB H 1 4.150 . . 1 . . . . 14 THR HB . 19240 1 145 . 1 1 14 14 THR HG21 H 1 1.029 . . 1 . . . . 14 THR HG21 . 19240 1 146 . 1 1 14 14 THR HG22 H 1 1.029 . . 1 . . . . 14 THR HG22 . 19240 1 147 . 1 1 14 14 THR HG23 H 1 1.029 . . 1 . . . . 14 THR HG23 . 19240 1 148 . 1 1 14 14 THR C C 13 172.087 . . 1 . . . . 14 THR C . 19240 1 149 . 1 1 14 14 THR CA C 13 61.986 . . 1 . . . . 14 THR CA . 19240 1 150 . 1 1 14 14 THR CB C 13 66.340 . . 1 . . . . 14 THR CB . 19240 1 151 . 1 1 14 14 THR CG2 C 13 22.386 . . 1 . . . . 14 THR CG2 . 19240 1 152 . 1 1 14 14 THR N N 15 125.323 . . 1 . . . . 14 THR N . 19240 1 153 . 1 1 15 15 PHE H H 1 8.074 . . 1 . . . . 15 PHE H . 19240 1 154 . 1 1 15 15 PHE HA H 1 5.176 . . 1 . . . . 15 PHE HA . 19240 1 155 . 1 1 15 15 PHE HB2 H 1 2.539 . . 1 . . . . 15 PHE HB2 . 19240 1 156 . 1 1 15 15 PHE HB3 H 1 3.009 . . 1 . . . . 15 PHE HB3 . 19240 1 157 . 1 1 15 15 PHE HD1 H 1 6.973 . . 1 . . . . 15 PHE HD1 . 19240 1 158 . 1 1 15 15 PHE HD2 H 1 6.973 . . 1 . . . . 15 PHE HD2 . 19240 1 159 . 1 1 15 15 PHE HE1 H 1 7.016 . . 1 . . . . 15 PHE HE1 . 19240 1 160 . 1 1 15 15 PHE HE2 H 1 7.016 . . 1 . . . . 15 PHE HE2 . 19240 1 161 . 1 1 15 15 PHE HZ H 1 6.994 . . 1 . . . . 15 PHE HZ . 19240 1 162 . 1 1 15 15 PHE C C 13 174.243 . . 1 . . . . 15 PHE C . 19240 1 163 . 1 1 15 15 PHE CA C 13 54.422 . . 1 . . . . 15 PHE CA . 19240 1 164 . 1 1 15 15 PHE CB C 13 39.594 . . 1 . . . . 15 PHE CB . 19240 1 165 . 1 1 15 15 PHE CD1 C 13 132.696 . . 1 . . . . 15 PHE CD1 . 19240 1 166 . 1 1 15 15 PHE CD2 C 13 132.696 . . 1 . . . . 15 PHE CD2 . 19240 1 167 . 1 1 15 15 PHE CE1 C 13 130.760 . . 1 . . . . 15 PHE CE1 . 19240 1 168 . 1 1 15 15 PHE CE2 C 13 130.760 . . 1 . . . . 15 PHE CE2 . 19240 1 169 . 1 1 15 15 PHE CZ C 13 128.688 . . 1 . . . . 15 PHE CZ . 19240 1 170 . 1 1 15 15 PHE N N 15 124.798 . . 1 . . . . 15 PHE N . 19240 1 171 . 1 1 16 16 PRO HA H 1 4.287 . . 1 . . . . 16 PRO HA . 19240 1 172 . 1 1 16 16 PRO HB2 H 1 1.585 . . 1 . . . . 16 PRO HB2 . 19240 1 173 . 1 1 16 16 PRO HB3 H 1 1.954 . . 1 . . . . 16 PRO HB3 . 19240 1 174 . 1 1 16 16 PRO HG2 H 1 1.725 . . 1 . . . . 16 PRO HG2 . 19240 1 175 . 1 1 16 16 PRO HG3 H 1 2.056 . . 1 . . . . 16 PRO HG3 . 19240 1 176 . 1 1 16 16 PRO HD2 H 1 3.971 . . 1 . . . . 16 PRO HD2 . 19240 1 177 . 1 1 16 16 PRO HD3 H 1 4.236 . . 1 . . . . 16 PRO HD3 . 19240 1 178 . 1 1 16 16 PRO C C 13 175.283 . . 1 . . . . 16 PRO C . 19240 1 179 . 1 1 16 16 PRO CA C 13 62.984 . . 1 . . . . 16 PRO CA . 19240 1 180 . 1 1 16 16 PRO CB C 13 33.134 . . 1 . . . . 16 PRO CB . 19240 1 181 . 1 1 16 16 PRO CG C 13 28.149 . . 1 . . . . 16 PRO CG . 19240 1 182 . 1 1 16 16 PRO CD C 13 51.546 . . 1 . . . . 16 PRO CD . 19240 1 183 . 1 1 17 17 LYS H H 1 8.461 . . 1 . . . . 17 LYS H . 19240 1 184 . 1 1 17 17 LYS HA H 1 4.532 . . 1 . . . . 17 LYS HA . 19240 1 185 . 1 1 17 17 LYS HB2 H 1 1.470 . . 1 . . . . 17 LYS HB2 . 19240 1 186 . 1 1 17 17 LYS HB3 H 1 1.748 . . 1 . . . . 17 LYS HB3 . 19240 1 187 . 1 1 17 17 LYS HG2 H 1 1.364 . . 1 . . . . 17 LYS HG2 . 19240 1 188 . 1 1 17 17 LYS HG3 H 1 1.435 . . 1 . . . . 17 LYS HG3 . 19240 1 189 . 1 1 17 17 LYS HD2 H 1 1.555 . . 1 . . . . 17 LYS HD2 . 19240 1 190 . 1 1 17 17 LYS HD3 H 1 1.555 . . 1 . . . . 17 LYS HD3 . 19240 1 191 . 1 1 17 17 LYS HE2 H 1 2.928 . . 1 . . . . 17 LYS HE2 . 19240 1 192 . 1 1 17 17 LYS HE3 H 1 2.906 . . 1 . . . . 17 LYS HE3 . 19240 1 193 . 1 1 17 17 LYS C C 13 175.859 . . 1 . . . . 17 LYS C . 19240 1 194 . 1 1 17 17 LYS CA C 13 53.467 . . 1 . . . . 17 LYS CA . 19240 1 195 . 1 1 17 17 LYS CB C 13 34.615 . . 1 . . . . 17 LYS CB . 19240 1 196 . 1 1 17 17 LYS CG C 13 24.550 . . 1 . . . . 17 LYS CG . 19240 1 197 . 1 1 17 17 LYS CD C 13 28.649 . . 1 . . . . 17 LYS CD . 19240 1 198 . 1 1 17 17 LYS CE C 13 42.182 . . 1 . . . . 17 LYS CE . 19240 1 199 . 1 1 17 17 LYS N N 15 121.634 . . 1 . . . . 17 LYS N . 19240 1 200 . 1 1 18 18 ARG H H 1 8.416 . . 1 . . . . 18 ARG H . 19240 1 201 . 1 1 18 18 ARG HA H 1 3.557 . . 1 . . . . 18 ARG HA . 19240 1 202 . 1 1 18 18 ARG HB2 H 1 1.640 . . 1 . . . . 18 ARG HB2 . 19240 1 203 . 1 1 18 18 ARG HB3 H 1 1.699 . . 1 . . . . 18 ARG HB3 . 19240 1 204 . 1 1 18 18 ARG HG2 H 1 1.437 . . 1 . . . . 18 ARG HG2 . 19240 1 205 . 1 1 18 18 ARG HG3 H 1 1.640 . . 1 . . . . 18 ARG HG3 . 19240 1 206 . 1 1 18 18 ARG HD2 H 1 3.147 . . 1 . . . . 18 ARG HD2 . 19240 1 207 . 1 1 18 18 ARG HD3 H 1 3.147 . . 1 . . . . 18 ARG HD3 . 19240 1 208 . 1 1 18 18 ARG C C 13 177.195 . . 1 . . . . 18 ARG C . 19240 1 209 . 1 1 18 18 ARG CA C 13 58.766 . . 1 . . . . 18 ARG CA . 19240 1 210 . 1 1 18 18 ARG CB C 13 29.385 . . 1 . . . . 18 ARG CB . 19240 1 211 . 1 1 18 18 ARG CG C 13 29.564 . . 1 . . . . 18 ARG CG . 19240 1 212 . 1 1 18 18 ARG CD C 13 43.234 . . 1 . . . . 18 ARG CD . 19240 1 213 . 1 1 18 18 ARG N N 15 120.434 . . 1 . . . . 18 ARG N . 19240 1 214 . 1 1 19 19 GLY H H 1 8.643 . . 1 . . . . 19 GLY H . 19240 1 215 . 1 1 19 19 GLY HA2 H 1 4.324 . . 1 . . . . 19 GLY HA2 . 19240 1 216 . 1 1 19 19 GLY HA3 H 1 3.580 . . 1 . . . . 19 GLY HA3 . 19240 1 217 . 1 1 19 19 GLY C C 13 174.015 . . 1 . . . . 19 GLY C . 19240 1 218 . 1 1 19 19 GLY CA C 13 44.875 . . 1 . . . . 19 GLY CA . 19240 1 219 . 1 1 19 19 GLY N N 15 112.924 . . 1 . . . . 19 GLY N . 19240 1 220 . 1 1 20 20 GLN H H 1 8.058 . . 1 . . . . 20 GLN H . 19240 1 221 . 1 1 20 20 GLN HA H 1 4.433 . . 1 . . . . 20 GLN HA . 19240 1 222 . 1 1 20 20 GLN HB2 H 1 1.816 . . 1 . . . . 20 GLN HB2 . 19240 1 223 . 1 1 20 20 GLN HB3 H 1 2.209 . . 1 . . . . 20 GLN HB3 . 19240 1 224 . 1 1 20 20 GLN HG2 H 1 1.795 . . 1 . . . . 20 GLN HG1 . 19240 1 225 . 1 1 20 20 GLN HG3 H 1 1.916 . . 1 . . . . 20 GLN HG2 . 19240 1 226 . 1 1 20 20 GLN HE21 H 1 6.407 . . 1 . . . . 20 GLN HE21 . 19240 1 227 . 1 1 20 20 GLN HE22 H 1 7.515 . . 1 . . . . 20 GLN HE22 . 19240 1 228 . 1 1 20 20 GLN C C 13 174.813 . . 1 . . . . 20 GLN C . 19240 1 229 . 1 1 20 20 GLN CA C 13 56.245 . . 1 . . . . 20 GLN CA . 19240 1 230 . 1 1 20 20 GLN CB C 13 30.551 . . 1 . . . . 20 GLN CB . 19240 1 231 . 1 1 20 20 GLN CG C 13 35.597 . . 1 . . . . 20 GLN CG . 19240 1 232 . 1 1 20 20 GLN N N 15 118.665 . . 1 . . . . 20 GLN N . 19240 1 233 . 1 1 20 20 GLN NE2 N 15 110.599 . . 1 . . . . 20 GLN NE2 . 19240 1 234 . 1 1 21 21 THR H H 1 8.706 . . 1 . . . . 21 THR H . 19240 1 235 . 1 1 21 21 THR HA H 1 4.388 . . 1 . . . . 21 THR HA . 19240 1 236 . 1 1 21 21 THR HB H 1 3.815 . . 1 . . . . 21 THR HB . 19240 1 237 . 1 1 21 21 THR HG21 H 1 0.753 . . 1 . . . . 21 THR HG21 . 19240 1 238 . 1 1 21 21 THR HG22 H 1 0.753 . . 1 . . . . 21 THR HG22 . 19240 1 239 . 1 1 21 21 THR HG23 H 1 0.753 . . 1 . . . . 21 THR HG23 . 19240 1 240 . 1 1 21 21 THR C C 13 173.613 . . 1 . . . . 21 THR C . 19240 1 241 . 1 1 21 21 THR CA C 13 63.003 . . 1 . . . . 21 THR CA . 19240 1 242 . 1 1 21 21 THR CB C 13 68.744 . . 1 . . . . 21 THR CB . 19240 1 243 . 1 1 21 21 THR CG2 C 13 21.448 . . 1 . . . . 21 THR CG2 . 19240 1 244 . 1 1 21 21 THR N N 15 119.664 . . 1 . . . . 21 THR N . 19240 1 245 . 1 1 22 22 CYS H H 1 8.78 . . 1 . . . . 22 CYS H . 19240 1 246 . 1 1 22 22 CYS HA H 1 4.206 . . 1 . . . . 22 CYS HA . 19240 1 247 . 1 1 22 22 CYS HB2 H 1 1.728 . . 1 . . . . 22 CYS HB2 . 19240 1 248 . 1 1 22 22 CYS HB3 H 1 1.624 . . 1 . . . . 22 CYS HB3 . 19240 1 249 . 1 1 22 22 CYS C C 13 172.236 . . 1 . . . . 22 CYS C . 19240 1 250 . 1 1 22 22 CYS CA C 13 57.974 . . 1 . . . . 22 CYS CA . 19240 1 251 . 1 1 22 22 CYS CB C 13 28.426 . . 1 . . . . 22 CYS CB . 19240 1 252 . 1 1 22 22 CYS N N 15 125.936 . . 1 . . . . 22 CYS N . 19240 1 253 . 1 1 23 23 VAL H H 1 7.941 . . 1 . . . . 23 VAL H . 19240 1 254 . 1 1 23 23 VAL HA H 1 4.535 . . 1 . . . . 23 VAL HA . 19240 1 255 . 1 1 23 23 VAL HB H 1 1.929 . . 1 . . . . 23 VAL HB . 19240 1 256 . 1 1 23 23 VAL HG11 H 1 0.526 . . 1 . . . . 23 VAL HG11 . 19240 1 257 . 1 1 23 23 VAL HG12 H 1 0.526 . . 1 . . . . 23 VAL HG12 . 19240 1 258 . 1 1 23 23 VAL HG13 H 1 0.526 . . 1 . . . . 23 VAL HG13 . 19240 1 259 . 1 1 23 23 VAL HG21 H 1 0.659 . . 1 . . . . 23 VAL HG21 . 19240 1 260 . 1 1 23 23 VAL HG22 H 1 0.659 . . 1 . . . . 23 VAL HG22 . 19240 1 261 . 1 1 23 23 VAL HG23 H 1 0.659 . . 1 . . . . 23 VAL HG23 . 19240 1 262 . 1 1 23 23 VAL C C 13 175.714 . . 1 . . . . 23 VAL C . 19240 1 263 . 1 1 23 23 VAL CA C 13 61.449 . . 1 . . . . 23 VAL CA . 19240 1 264 . 1 1 23 23 VAL CB C 13 30.989 . . 1 . . . . 23 VAL CB . 19240 1 265 . 1 1 23 23 VAL CG1 C 13 19.691 . . 1 . . . . 23 VAL CG1 . 19240 1 266 . 1 1 23 23 VAL CG2 C 13 21.254 . . 1 . . . . 23 VAL CG2 . 19240 1 267 . 1 1 23 23 VAL N N 15 123.375 . . 1 . . . . 23 VAL N . 19240 1 268 . 1 1 24 24 VAL H H 1 9.558 . . 1 . . . . 24 VAL H . 19240 1 269 . 1 1 24 24 VAL HA H 1 5.798 . . 1 . . . . 24 VAL HA . 19240 1 270 . 1 1 24 24 VAL HB H 1 2.297 . . 1 . . . . 24 VAL HB . 19240 1 271 . 1 1 24 24 VAL HG11 H 1 1.209 . . 1 . . . . 24 VAL HG11 . 19240 1 272 . 1 1 24 24 VAL HG12 H 1 1.209 . . 1 . . . . 24 VAL HG12 . 19240 1 273 . 1 1 24 24 VAL HG13 H 1 1.209 . . 1 . . . . 24 VAL HG13 . 19240 1 274 . 1 1 24 24 VAL HG21 H 1 0.836 . . 1 . . . . 24 VAL HG21 . 19240 1 275 . 1 1 24 24 VAL HG22 H 1 0.836 . . 1 . . . . 24 VAL HG22 . 19240 1 276 . 1 1 24 24 VAL HG23 H 1 0.836 . . 1 . . . . 24 VAL HG23 . 19240 1 277 . 1 1 24 24 VAL C C 13 175.400 . . 1 . . . . 24 VAL C . 19240 1 278 . 1 1 24 24 VAL CA C 13 57.891 . . 1 . . . . 24 VAL CA . 19240 1 279 . 1 1 24 24 VAL CB C 13 35.533 . . 1 . . . . 24 VAL CB . 19240 1 280 . 1 1 24 24 VAL CG1 C 13 20.045 . . 1 . . . . 24 VAL CG1 . 19240 1 281 . 1 1 24 24 VAL CG2 C 13 21.727 . . 1 . . . . 24 VAL CG2 . 19240 1 282 . 1 1 24 24 VAL N N 15 117.997 . . 1 . . . . 24 VAL N . 19240 1 283 . 1 1 25 25 HIS H H 1 8.511 . . 1 . . . . 25 HIS H . 19240 1 284 . 1 1 25 25 HIS HA H 1 5.809 . . 1 . . . . 25 HIS HA . 19240 1 285 . 1 1 25 25 HIS HB2 H 1 2.778 . . 1 . . . . 25 HIS HB2 . 19240 1 286 . 1 1 25 25 HIS HB3 H 1 2.651 . . 1 . . . . 25 HIS HB3 . 19240 1 287 . 1 1 25 25 HIS HD2 H 1 6.906 . . 1 . . . . 25 HIS HD2 . 19240 1 288 . 1 1 25 25 HIS HE1 H 1 7.037 . . 1 . . . . 25 HIS HE1 . 19240 1 289 . 1 1 25 25 HIS C C 13 176.535 . . 1 . . . . 25 HIS C . 19240 1 290 . 1 1 25 25 HIS CA C 13 54.391 . . 1 . . . . 25 HIS CA . 19240 1 291 . 1 1 25 25 HIS CB C 13 35.229 . . 1 . . . . 25 HIS CB . 19240 1 292 . 1 1 25 25 HIS CD2 C 13 136.901 . . 1 . . . . 25 HIS CD2 . 19240 1 293 . 1 1 25 25 HIS CE1 C 13 117.435 . . 1 . . . . 25 HIS CE1 . 19240 1 294 . 1 1 25 25 HIS N N 15 118.688 . . 1 . . . . 25 HIS N . 19240 1 295 . 1 1 26 26 TYR H H 1 9.891 . . 1 . . . . 26 TYR H . 19240 1 296 . 1 1 26 26 TYR HA H 1 6.405 . . 1 . . . . 26 TYR HA . 19240 1 297 . 1 1 26 26 TYR HB2 H 1 2.918 . . 1 . . . . 26 TYR HB2 . 19240 1 298 . 1 1 26 26 TYR HB3 H 1 2.840 . . 1 . . . . 26 TYR HB3 . 19240 1 299 . 1 1 26 26 TYR HD1 H 1 6.903 . . 1 . . . . 26 TYR HD1 . 19240 1 300 . 1 1 26 26 TYR HD2 H 1 6.903 . . 1 . . . . 26 TYR HD2 . 19240 1 301 . 1 1 26 26 TYR HE1 H 1 6.512 . . 1 . . . . 26 TYR HE1 . 19240 1 302 . 1 1 26 26 TYR HE2 H 1 6.512 . . 1 . . . . 26 TYR HE2 . 19240 1 303 . 1 1 26 26 TYR C C 13 173.681 . . 1 . . . . 26 TYR C . 19240 1 304 . 1 1 26 26 TYR CA C 13 55.898 . . 1 . . . . 26 TYR CA . 19240 1 305 . 1 1 26 26 TYR CB C 13 44.356 . . 1 . . . . 26 TYR CB . 19240 1 306 . 1 1 26 26 TYR CD1 C 13 132.667 . . 1 . . . . 26 TYR CD1 . 19240 1 307 . 1 1 26 26 TYR CD2 C 13 132.667 . . 1 . . . . 26 TYR CD2 . 19240 1 308 . 1 1 26 26 TYR CE1 C 13 117.807 . . 1 . . . . 26 TYR CE1 . 19240 1 309 . 1 1 26 26 TYR CE2 C 13 117.807 . . 1 . . . . 26 TYR CE2 . 19240 1 310 . 1 1 26 26 TYR N N 15 118.481 . . 1 . . . . 26 TYR N . 19240 1 311 . 1 1 27 27 THR H H 1 8.680 . . 1 . . . . 27 THR H . 19240 1 312 . 1 1 27 27 THR HA H 1 4.476 . . 1 . . . . 27 THR HA . 19240 1 313 . 1 1 27 27 THR HB H 1 3.916 . . 1 . . . . 27 THR HB . 19240 1 314 . 1 1 27 27 THR HG21 H 1 1.149 . . 1 . . . . 27 THR HG21 . 19240 1 315 . 1 1 27 27 THR HG22 H 1 1.149 . . 1 . . . . 27 THR HG22 . 19240 1 316 . 1 1 27 27 THR HG23 H 1 1.149 . . 1 . . . . 27 THR HG23 . 19240 1 317 . 1 1 27 27 THR C C 13 172.587 . . 1 . . . . 27 THR C . 19240 1 318 . 1 1 27 27 THR CA C 13 63.001 . . 1 . . . . 27 THR CA . 19240 1 319 . 1 1 27 27 THR CB C 13 72.204 . . 1 . . . . 27 THR CB . 19240 1 320 . 1 1 27 27 THR CG2 C 13 22.076 . . 1 . . . . 27 THR CG2 . 19240 1 321 . 1 1 27 27 THR N N 15 116.790 . . 1 . . . . 27 THR N . 19240 1 322 . 1 1 28 28 GLY H H 1 9.216 . . 1 . . . . 28 GLY H . 19240 1 323 . 1 1 28 28 GLY HA2 H 1 3.959 . . 1 . . . . 28 GLY HA2 . 19240 1 324 . 1 1 28 28 GLY HA3 H 1 2.113 . . 1 . . . . 28 GLY HA3 . 19240 1 325 . 1 1 28 28 GLY C C 13 170.807 . . 1 . . . . 28 GLY C . 19240 1 326 . 1 1 28 28 GLY CA C 13 45.405 . . 1 . . . . 28 GLY CA . 19240 1 327 . 1 1 28 28 GLY N N 15 115.190 . . 1 . . . . 28 GLY N . 19240 1 328 . 1 1 29 29 MET H H 1 9.120 . . 1 . . . . 29 MET H . 19240 1 329 . 1 1 29 29 MET HA H 1 5.193 . . 1 . . . . 29 MET HA . 19240 1 330 . 1 1 29 29 MET HB2 H 1 1.788 . . 1 . . . . 29 MET HB2 . 19240 1 331 . 1 1 29 29 MET HB3 H 1 1.872 . . 1 . . . . 29 MET HB3 . 19240 1 332 . 1 1 29 29 MET HG2 H 1 1.903 . . 1 . . . . 29 MET HG2 . 19240 1 333 . 1 1 29 29 MET HG3 H 1 2.275 . . 1 . . . . 29 MET HG3 . 19240 1 334 . 1 1 29 29 MET C C 13 175.317 . . 1 . . . . 29 MET C . 19240 1 335 . 1 1 29 29 MET CA C 13 54.185 . . 1 . . . . 29 MET CA . 19240 1 336 . 1 1 29 29 MET CB C 13 37.485 . . 1 . . . . 29 MET CB . 19240 1 337 . 1 1 29 29 MET CE C 13 16.611 . . 1 . . . . 29 MET CE . 19240 1 338 . 1 1 29 29 MET N N 15 125.529 . . 1 . . . . 29 MET N . 19240 1 339 . 1 1 30 30 LEU H H 1 8.421 . . 1 . . . . 30 LEU H . 19240 1 340 . 1 1 30 30 LEU HA H 1 4.698 . . 1 . . . . 30 LEU HA . 19240 1 341 . 1 1 30 30 LEU HB2 H 1 1.827 . . 1 . . . . 30 LEU HB2 . 19240 1 342 . 1 1 30 30 LEU HB3 H 1 2.146 . . 1 . . . . 30 LEU HB3 . 19240 1 343 . 1 1 30 30 LEU HG H 1 1.832 . . 1 . . . . 30 LEU HG . 19240 1 344 . 1 1 30 30 LEU HD11 H 1 0.771 . . 1 . . . . 30 LEU HD11 . 19240 1 345 . 1 1 30 30 LEU HD12 H 1 0.771 . . 1 . . . . 30 LEU HD12 . 19240 1 346 . 1 1 30 30 LEU HD13 H 1 0.771 . . 1 . . . . 30 LEU HD13 . 19240 1 347 . 1 1 30 30 LEU HD21 H 1 0.977 . . 1 . . . . 30 LEU HD21 . 19240 1 348 . 1 1 30 30 LEU HD22 H 1 0.977 . . 1 . . . . 30 LEU HD22 . 19240 1 349 . 1 1 30 30 LEU HD23 H 1 0.977 . . 1 . . . . 30 LEU HD23 . 19240 1 350 . 1 1 30 30 LEU C C 13 179.13 . . 1 . . . . 30 LEU C . 19240 1 351 . 1 1 30 30 LEU CA C 13 53.963 . . 1 . . . . 30 LEU CA . 19240 1 352 . 1 1 30 30 LEU CB C 13 41.507 . . 1 . . . . 30 LEU CB . 19240 1 353 . 1 1 30 30 LEU CG C 13 28.159 . . 1 . . . . 30 LEU CG . 19240 1 354 . 1 1 30 30 LEU CD1 C 13 23.020 . . 1 . . . . 30 LEU CD1 . 19240 1 355 . 1 1 30 30 LEU CD2 C 13 25.669 . . 1 . . . . 30 LEU CD2 . 19240 1 356 . 1 1 30 30 LEU N N 15 119.043 . . 1 . . . . 30 LEU N . 19240 1 357 . 1 1 31 31 GLU H H 1 8.991 . . 1 . . . . 31 GLU H . 19240 1 358 . 1 1 31 31 GLU HA H 1 3.753 . . 1 . . . . 31 GLU HA . 19240 1 359 . 1 1 31 31 GLU HB2 H 1 1.98 . . 1 . . . . 31 GLU HB2 . 19240 1 360 . 1 1 31 31 GLU HB3 H 1 2.043 . . 1 . . . . 31 GLU HB3 . 19240 1 361 . 1 1 31 31 GLU HG2 H 1 2.183 . . 1 . . . . 31 GLU HG2 . 19240 1 362 . 1 1 31 31 GLU HG3 H 1 2.183 . . 1 . . . . 31 GLU HG3 . 19240 1 363 . 1 1 31 31 GLU C C 13 176.387 . . 1 . . . . 31 GLU C . 19240 1 364 . 1 1 31 31 GLU CA C 13 59.697 . . 1 . . . . 31 GLU CA . 19240 1 365 . 1 1 31 31 GLU CB C 13 29.514 . . 1 . . . . 31 GLU CB . 19240 1 366 . 1 1 31 31 GLU CG C 13 36.742 . . 1 . . . . 31 GLU CG . 19240 1 367 . 1 1 31 31 GLU N N 15 120.632 . . 1 . . . . 31 GLU N . 19240 1 368 . 1 1 32 32 ASP H H 1 7.778 . . 1 . . . . 32 ASP H . 19240 1 369 . 1 1 32 32 ASP HA H 1 4.356 . . 1 . . . . 32 ASP HA . 19240 1 370 . 1 1 32 32 ASP HB2 H 1 2.919 . . 1 . . . . 32 ASP HB2 . 19240 1 371 . 1 1 32 32 ASP HB3 H 1 2.500 . . 1 . . . . 32 ASP HB3 . 19240 1 372 . 1 1 32 32 ASP C C 13 177.037 . . 1 . . . . 32 ASP C . 19240 1 373 . 1 1 32 32 ASP CA C 13 53.499 . . 1 . . . . 32 ASP CA . 19240 1 374 . 1 1 32 32 ASP CB C 13 39.683 . . 1 . . . . 32 ASP CB . 19240 1 375 . 1 1 32 32 ASP N N 15 115.330 . . 1 . . . . 32 ASP N . 19240 1 376 . 1 1 33 33 GLY H H 1 8.159 . . 1 . . . . 33 GLY H . 19240 1 377 . 1 1 33 33 GLY HA2 H 1 4.208 . . 1 . . . . 33 GLY HA2 . 19240 1 378 . 1 1 33 33 GLY HA3 H 1 3.580 . . 1 . . . . 33 GLY HA3 . 19240 1 379 . 1 1 33 33 GLY C C 13 174.083 . . 1 . . . . 33 GLY C . 19240 1 380 . 1 1 33 33 GLY CA C 13 44.800 . . 1 . . . . 33 GLY CA . 19240 1 381 . 1 1 33 33 GLY N N 15 108.474 . . 1 . . . . 33 GLY N . 19240 1 382 . 1 1 34 34 LYS H H 1 7.802 . . 1 . . . . 34 LYS H . 19240 1 383 . 1 1 34 34 LYS HA H 1 4.037 . . 1 . . . . 34 LYS HA . 19240 1 384 . 1 1 34 34 LYS HB2 H 1 1.729 . . 1 . . . . 34 LYS HB2 . 19240 1 385 . 1 1 34 34 LYS HB3 H 1 1.846 . . 1 . . . . 34 LYS HB3 . 19240 1 386 . 1 1 34 34 LYS HG2 H 1 1.245 . . 1 . . . . 34 LYS HG2 . 19240 1 387 . 1 1 34 34 LYS HG3 H 1 1.384 . . 1 . . . . 34 LYS HG3 . 19240 1 388 . 1 1 34 34 LYS HD2 H 1 1.600 . . 1 . . . . 34 LYS HD2 . 19240 1 389 . 1 1 34 34 LYS HD3 H 1 1.600 . . 1 . . . . 34 LYS HD3 . 19240 1 390 . 1 1 34 34 LYS HE2 H 1 2.920 . . 1 . . . . 34 LYS HE2 . 19240 1 391 . 1 1 34 34 LYS HE3 H 1 2.920 . . 1 . . . . 34 LYS HE3 . 19240 1 392 . 1 1 34 34 LYS C C 13 176.144 . . 1 . . . . 34 LYS C . 19240 1 393 . 1 1 34 34 LYS CA C 13 57.245 . . 1 . . . . 34 LYS CA . 19240 1 394 . 1 1 34 34 LYS CB C 13 32.382 . . 1 . . . . 34 LYS CB . 19240 1 395 . 1 1 34 34 LYS CG C 13 24.889 . . 1 . . . . 34 LYS CG . 19240 1 396 . 1 1 34 34 LYS CD C 13 29.020 . . 1 . . . . 34 LYS CD . 19240 1 397 . 1 1 34 34 LYS CE C 13 42.063 . . 1 . . . . 34 LYS CE . 19240 1 398 . 1 1 34 34 LYS N N 15 121.762 . . 1 . . . . 34 LYS N . 19240 1 399 . 1 1 35 35 LYS H H 1 8.503 . . 1 . . . . 35 LYS H . 19240 1 400 . 1 1 35 35 LYS HA H 1 4.429 . . 1 . . . . 35 LYS HA . 19240 1 401 . 1 1 35 35 LYS HB2 H 1 1.624 . . 1 . . . . 35 LYS HB2 . 19240 1 402 . 1 1 35 35 LYS HB3 H 1 1.624 . . 1 . . . . 35 LYS HB3 . 19240 1 403 . 1 1 35 35 LYS HG2 H 1 1.045 . . 1 . . . . 35 LYS HG2 . 19240 1 404 . 1 1 35 35 LYS HG3 H 1 1.340 . . 1 . . . . 35 LYS HG3 . 19240 1 405 . 1 1 35 35 LYS HD2 H 1 1.547 . . 1 . . . . 35 LYS HD2 . 19240 1 406 . 1 1 35 35 LYS HD3 H 1 1.547 . . 1 . . . . 35 LYS HD3 . 19240 1 407 . 1 1 35 35 LYS HE2 H 1 2.798 . . 1 . . . . 35 LYS HE2 . 19240 1 408 . 1 1 35 35 LYS HE3 H 1 2.797 . . 1 . . . . 35 LYS HE3 . 19240 1 409 . 1 1 35 35 LYS C C 13 176.517 . . 1 . . . . 35 LYS C . 19240 1 410 . 1 1 35 35 LYS CA C 13 56.587 . . 1 . . . . 35 LYS CA . 19240 1 411 . 1 1 35 35 LYS CB C 13 32.628 . . 1 . . . . 35 LYS CB . 19240 1 412 . 1 1 35 35 LYS CG C 13 24.136 . . 1 . . . . 35 LYS CG . 19240 1 413 . 1 1 35 35 LYS CD C 13 29.291 . . 1 . . . . 35 LYS CD . 19240 1 414 . 1 1 35 35 LYS CE C 13 41.229 . . 1 . . . . 35 LYS CE . 19240 1 415 . 1 1 35 35 LYS N N 15 127.503 . . 1 . . . . 35 LYS N . 19240 1 416 . 1 1 36 36 PHE H H 1 8.459 . . 1 . . . . 36 PHE H . 19240 1 417 . 1 1 36 36 PHE HA H 1 5.054 . . 1 . . . . 36 PHE HA . 19240 1 418 . 1 1 36 36 PHE HB2 H 1 2.568 . . 1 . . . . 36 PHE HB2 . 19240 1 419 . 1 1 36 36 PHE HB3 H 1 3.237 . . 1 . . . . 36 PHE HB3 . 19240 1 420 . 1 1 36 36 PHE HD1 H 1 6.896 . . 1 . . . . 36 PHE HD1 . 19240 1 421 . 1 1 36 36 PHE HD2 H 1 6.896 . . 1 . . . . 36 PHE HD2 . 19240 1 422 . 1 1 36 36 PHE HE1 H 1 7.176 . . 1 . . . . 36 PHE HE1 . 19240 1 423 . 1 1 36 36 PHE HE2 H 1 7.176 . . 1 . . . . 36 PHE HE2 . 19240 1 424 . 1 1 36 36 PHE HZ H 1 6.944 . . 1 . . . . 36 PHE HZ . 19240 1 425 . 1 1 36 36 PHE C C 13 174.294 . . 1 . . . . 36 PHE C . 19240 1 426 . 1 1 36 36 PHE CA C 13 56.216 . . 1 . . . . 36 PHE CA . 19240 1 427 . 1 1 36 36 PHE CB C 13 41.092 . . 1 . . . . 36 PHE CB . 19240 1 428 . 1 1 36 36 PHE CD1 C 13 132.663 . . 1 . . . . 36 PHE CD1 . 19240 1 429 . 1 1 36 36 PHE CD2 C 13 132.663 . . 1 . . . . 36 PHE CD2 . 19240 1 430 . 1 1 36 36 PHE CE1 C 13 131.137 . . 1 . . . . 36 PHE CE1 . 19240 1 431 . 1 1 36 36 PHE CE2 C 13 131.137 . . 1 . . . . 36 PHE CE2 . 19240 1 432 . 1 1 36 36 PHE CZ C 13 129.949 . . 1 . . . . 36 PHE CZ . 19240 1 433 . 1 1 36 36 PHE N N 15 120.998 . . 1 . . . . 36 PHE N . 19240 1 434 . 1 1 37 37 ASP H H 1 6.750 . . 1 . . . . 37 ASP H . 19240 1 435 . 1 1 37 37 ASP HA H 1 4.775 . . 1 . . . . 37 ASP HA . 19240 1 436 . 1 1 37 37 ASP HB2 H 1 3.287 . . 1 . . . . 37 ASP HB2 . 19240 1 437 . 1 1 37 37 ASP HB3 H 1 2.105 . . 1 . . . . 37 ASP HB3 . 19240 1 438 . 1 1 37 37 ASP C C 13 174.605 . . 1 . . . . 37 ASP C . 19240 1 439 . 1 1 37 37 ASP CA C 13 54.401 . . 1 . . . . 37 ASP CA . 19240 1 440 . 1 1 37 37 ASP CB C 13 44.275 . . 1 . . . . 37 ASP CB . 19240 1 441 . 1 1 37 37 ASP N N 15 118.728 . . 1 . . . . 37 ASP N . 19240 1 442 . 1 1 38 38 SER H H 1 8.168 . . 1 . . . . 38 SER H . 19240 1 443 . 1 1 38 38 SER HA H 1 4.568 . . 1 . . . . 38 SER HA . 19240 1 444 . 1 1 38 38 SER HB2 H 1 3.925 . . 1 . . . . 38 SER HB2 . 19240 1 445 . 1 1 38 38 SER HB3 H 1 3.534 . . 1 . . . . 38 SER HB3 . 19240 1 446 . 1 1 38 38 SER C C 13 174.736 . . 1 . . . . 38 SER C . 19240 1 447 . 1 1 38 38 SER CA C 13 56.889 . . 1 . . . . 38 SER CA . 19240 1 448 . 1 1 38 38 SER CB C 13 64.794 . . 1 . . . . 38 SER CB . 19240 1 449 . 1 1 38 38 SER N N 15 118.281 . . 1 . . . . 38 SER N . 19240 1 450 . 1 1 39 39 SER H H 1 7.908 . . 1 . . . . 39 SER H . 19240 1 451 . 1 1 39 39 SER HA H 1 4.085 . . 1 . . . . 39 SER HA . 19240 1 452 . 1 1 39 39 SER HB2 H 1 4.961 . . 1 . . . . 39 SER HB2 . 19240 1 453 . 1 1 39 39 SER HB3 H 1 3.715 . . 1 . . . . 39 SER HB3 . 19240 1 454 . 1 1 39 39 SER C C 13 176.870 . . 1 . . . . 39 SER C . 19240 1 455 . 1 1 39 39 SER CA C 13 61.525 . . 1 . . . . 39 SER CA . 19240 1 456 . 1 1 39 39 SER CB C 13 61.659 . . 1 . . . . 39 SER CB . 19240 1 457 . 1 1 39 39 SER N N 15 124.643 . . 1 . . . . 39 SER N . 19240 1 458 . 1 1 40 40 ARG H H 1 7.557 . . 1 . . . . 40 ARG H . 19240 1 459 . 1 1 40 40 ARG HA H 1 3.530 . . 1 . . . . 40 ARG HA . 19240 1 460 . 1 1 40 40 ARG HB2 H 1 1.296 . . 1 . . . . 40 ARG HB2 . 19240 1 461 . 1 1 40 40 ARG HG2 H 1 1.022 . . 1 . . . . 40 ARG HG2 . 19240 1 462 . 1 1 40 40 ARG HD2 H 1 2.692 . . 1 . . . . 40 ARG HD2 . 19240 1 463 . 1 1 40 40 ARG HD3 H 1 2.692 . . 1 . . . . 40 ARG HD3 . 19240 1 464 . 1 1 40 40 ARG C C 13 179.659 . . 1 . . . . 40 ARG C . 19240 1 465 . 1 1 40 40 ARG CA C 13 58.884 . . 1 . . . . 40 ARG CA . 19240 1 466 . 1 1 40 40 ARG CB C 13 28.444 . . 1 . . . . 40 ARG CB . 19240 1 467 . 1 1 40 40 ARG CD C 13 43.137 . . 1 . . . . 40 ARG CD . 19240 1 468 . 1 1 40 40 ARG N N 15 124.034 . . 1 . . . . 40 ARG N . 19240 1 469 . 1 1 41 41 ASP H H 1 7.131 . . 1 . . . . 41 ASP H . 19240 1 470 . 1 1 41 41 ASP HA H 1 4.244 . . 1 . . . . 41 ASP HA . 19240 1 471 . 1 1 41 41 ASP HB2 H 1 2.717 . . 1 . . . . 41 ASP HB2 . 19240 1 472 . 1 1 41 41 ASP HB3 H 1 2.547 . . 1 . . . . 41 ASP HB3 . 19240 1 473 . 1 1 41 41 ASP C C 13 176.644 . . 1 . . . . 41 ASP C . 19240 1 474 . 1 1 41 41 ASP CA C 13 56.417 . . 1 . . . . 41 ASP CA . 19240 1 475 . 1 1 41 41 ASP CB C 13 39.868 . . 1 . . . . 41 ASP CB . 19240 1 476 . 1 1 41 41 ASP N N 15 118.552 . . 1 . . . . 41 ASP N . 19240 1 477 . 1 1 42 42 ARG H H 1 6.845 . . 1 . . . . 42 ARG H . 19240 1 478 . 1 1 42 42 ARG HA H 1 4.366 . . 1 . . . . 42 ARG HA . 19240 1 479 . 1 1 42 42 ARG HB2 H 1 1.926 . . 1 . . . . 42 ARG HB2 . 19240 1 480 . 1 1 42 42 ARG HB3 H 1 1.926 . . 1 . . . . 42 ARG HB3 . 19240 1 481 . 1 1 42 42 ARG HG2 H 1 1.604 . . 1 . . . . 42 ARG HG2 . 19240 1 482 . 1 1 42 42 ARG HG3 H 1 1.690 . . 1 . . . . 42 ARG HG3 . 19240 1 483 . 1 1 42 42 ARG HD2 H 1 3.162 . . 1 . . . . 42 ARG HD2 . 19240 1 484 . 1 1 42 42 ARG HD3 H 1 3.416 . . 1 . . . . 42 ARG HD3 . 19240 1 485 . 1 1 42 42 ARG C C 13 175.262 . . 1 . . . . 42 ARG C . 19240 1 486 . 1 1 42 42 ARG CA C 13 55.993 . . 1 . . . . 42 ARG CA . 19240 1 487 . 1 1 42 42 ARG CB C 13 31.087 . . 1 . . . . 42 ARG CB . 19240 1 488 . 1 1 42 42 ARG CG C 13 28.389 . . 1 . . . . 42 ARG CG . 19240 1 489 . 1 1 42 42 ARG CD C 13 43.461 . . 1 . . . . 42 ARG CD . 19240 1 490 . 1 1 42 42 ARG N N 15 114.890 . . 1 . . . . 42 ARG N . 19240 1 491 . 1 1 43 43 ASN H H 1 7.760 . . 1 . . . . 43 ASN H . 19240 1 492 . 1 1 43 43 ASN HA H 1 4.347 . . 1 . . . . 43 ASN HA . 19240 1 493 . 1 1 43 43 ASN HB2 H 1 3.123 . . 1 . . . . 43 ASN HB2 . 19240 1 494 . 1 1 43 43 ASN HB3 H 1 2.617 . . 1 . . . . 43 ASN HB3 . 19240 1 495 . 1 1 43 43 ASN HD21 H 1 7.521 . . 1 . . . . 43 ASN HD21 . 19240 1 496 . 1 1 43 43 ASN HD22 H 1 6.778 . . 1 . . . . 43 ASN HD22 . 19240 1 497 . 1 1 43 43 ASN C C 13 173.928 . . 1 . . . . 43 ASN C . 19240 1 498 . 1 1 43 43 ASN CA C 13 54.035 . . 1 . . . . 43 ASN CA . 19240 1 499 . 1 1 43 43 ASN CB C 13 37.317 . . 1 . . . . 43 ASN CB . 19240 1 500 . 1 1 43 43 ASN N N 15 115.563 . . 1 . . . . 43 ASN N . 19240 1 501 . 1 1 43 43 ASN ND2 N 15 112.326 . . 1 . . . . 43 ASN ND2 . 19240 1 502 . 1 1 44 44 LYS H H 1 7.338 . . 1 . . . . 44 LYS H . 19240 1 503 . 1 1 44 44 LYS HA H 1 4.852 . . 1 . . . . 44 LYS HA . 19240 1 504 . 1 1 44 44 LYS HB2 H 1 1.678 . . 1 . . . . 44 LYS HB2 . 19240 1 505 . 1 1 44 44 LYS HB3 H 1 1.741 . . 1 . . . . 44 LYS HB3 . 19240 1 506 . 1 1 44 44 LYS HG2 H 1 1.417 . . 1 . . . . 44 LYS HG2 . 19240 1 507 . 1 1 44 44 LYS HG3 H 1 1.417 . . 1 . . . . 44 LYS HG3 . 19240 1 508 . 1 1 44 44 LYS HD2 H 1 1.67 . . 1 . . . . 44 LYS HD2 . 19240 1 509 . 1 1 44 44 LYS HD3 H 1 1.67 . . 1 . . . . 44 LYS HD3 . 19240 1 510 . 1 1 44 44 LYS HE2 H 1 2.99 . . 1 . . . . 44 LYS HE2 . 19240 1 511 . 1 1 44 44 LYS HE3 H 1 2.99 . . 1 . . . . 44 LYS HE3 . 19240 1 512 . 1 1 44 44 LYS C C 13 172.152 . . 1 . . . . 44 LYS C . 19240 1 513 . 1 1 44 44 LYS CA C 13 53.490 . . 1 . . . . 44 LYS CA . 19240 1 514 . 1 1 44 44 LYS CB C 13 35.117 . . 1 . . . . 44 LYS CB . 19240 1 515 . 1 1 44 44 LYS CG C 13 24.185 . . 1 . . . . 44 LYS CG . 19240 1 516 . 1 1 44 44 LYS CD C 13 29.293 . . 1 . . . . 44 LYS CD . 19240 1 517 . 1 1 44 44 LYS CE C 13 42.052 . . 1 . . . . 44 LYS CE . 19240 1 518 . 1 1 44 44 LYS N N 15 115.634 . . 1 . . . . 44 LYS N . 19240 1 519 . 1 1 45 45 PRO HA H 1 3.865 . . 1 . . . . 45 PRO HA . 19240 1 520 . 1 1 45 45 PRO HB2 H 1 1.327 . . 1 . . . . 45 PRO HB2 . 19240 1 521 . 1 1 45 45 PRO HB3 H 1 1.327 . . 1 . . . . 45 PRO HB3 . 19240 1 522 . 1 1 45 45 PRO HG2 H 1 1.182 . . 1 . . . . 45 PRO HG2 . 19240 1 523 . 1 1 45 45 PRO HG3 H 1 1.634 . . 1 . . . . 45 PRO HG3 . 19240 1 524 . 1 1 45 45 PRO HD2 H 1 3.565 . . 1 . . . . 45 PRO HD2 . 19240 1 525 . 1 1 45 45 PRO HD3 H 1 3.525 . . 1 . . . . 45 PRO HD3 . 19240 1 526 . 1 1 45 45 PRO C C 13 174.075 . . 1 . . . . 45 PRO C . 19240 1 527 . 1 1 45 45 PRO CA C 13 62.940 . . 1 . . . . 45 PRO CA . 19240 1 528 . 1 1 45 45 PRO CB C 13 32.122 . . 1 . . . . 45 PRO CB . 19240 1 529 . 1 1 45 45 PRO CG C 13 26.396 . . 1 . . . . 45 PRO CG . 19240 1 530 . 1 1 45 45 PRO CD C 13 50.632 . . 1 . . . . 45 PRO CD . 19240 1 531 . 1 1 46 46 PHE H H 1 9.146 . . 1 . . . . 46 PHE H . 19240 1 532 . 1 1 46 46 PHE HA H 1 4.882 . . 1 . . . . 46 PHE HA . 19240 1 533 . 1 1 46 46 PHE HB2 H 1 3.539 . . 1 . . . . 46 PHE HB2 . 19240 1 534 . 1 1 46 46 PHE HB3 H 1 3.136 . . 1 . . . . 46 PHE HB3 . 19240 1 535 . 1 1 46 46 PHE HD1 H 1 7.236 . . 1 . . . . 46 PHE HD1 . 19240 1 536 . 1 1 46 46 PHE HD2 H 1 7.236 . . 1 . . . . 46 PHE HD2 . 19240 1 537 . 1 1 46 46 PHE HE1 H 1 7.032 . . 1 . . . . 46 PHE HE1 . 19240 1 538 . 1 1 46 46 PHE HE2 H 1 7.032 . . 1 . . . . 46 PHE HE2 . 19240 1 539 . 1 1 46 46 PHE HZ H 1 7.065 . . 1 . . . . 46 PHE HZ . 19240 1 540 . 1 1 46 46 PHE C C 13 172.781 . . 1 . . . . 46 PHE C . 19240 1 541 . 1 1 46 46 PHE CA C 13 56.687 . . 1 . . . . 46 PHE CA . 19240 1 542 . 1 1 46 46 PHE CB C 13 42.721 . . 1 . . . . 46 PHE CB . 19240 1 543 . 1 1 46 46 PHE CD1 C 13 131.470 . . 1 . . . . 46 PHE CD1 . 19240 1 544 . 1 1 46 46 PHE CD2 C 13 131.470 . . 1 . . . . 46 PHE CD2 . 19240 1 545 . 1 1 46 46 PHE CE1 C 13 131.738 . . 1 . . . . 46 PHE CE1 . 19240 1 546 . 1 1 46 46 PHE CE2 C 13 131.738 . . 1 . . . . 46 PHE CE2 . 19240 1 547 . 1 1 46 46 PHE CZ C 13 130.110 . . 1 . . . . 46 PHE CZ . 19240 1 548 . 1 1 46 46 PHE N N 15 124.293 . . 1 . . . . 46 PHE N . 19240 1 549 . 1 1 47 47 LYS H H 1 7.366 . . 1 . . . . 47 LYS H . 19240 1 550 . 1 1 47 47 LYS HA H 1 5.520 . . 1 . . . . 47 LYS HA . 19240 1 551 . 1 1 47 47 LYS HB2 H 1 1.172 . . 1 . . . . 47 LYS HB2 . 19240 1 552 . 1 1 47 47 LYS HB3 H 1 1.404 . . 1 . . . . 47 LYS HB3 . 19240 1 553 . 1 1 47 47 LYS HG2 H 1 0.964 . . 1 . . . . 47 LYS HG2 . 19240 1 554 . 1 1 47 47 LYS HG3 H 1 1.231 . . 1 . . . . 47 LYS HG3 . 19240 1 555 . 1 1 47 47 LYS HD2 H 1 1.327 . . 1 . . . . 47 LYS HD2 . 19240 1 556 . 1 1 47 47 LYS HD3 H 1 1.404 . . 1 . . . . 47 LYS HD3 . 19240 1 557 . 1 1 47 47 LYS HE2 H 1 2.534 . . 1 . . . . 47 LYS HE2 . 19240 1 558 . 1 1 47 47 LYS HE3 H 1 2.749 . . 1 . . . . 47 LYS HE3 . 19240 1 559 . 1 1 47 47 LYS C C 13 174.571 . . 1 . . . . 47 LYS C . 19240 1 560 . 1 1 47 47 LYS CA C 13 54.087 . . 1 . . . . 47 LYS CA . 19240 1 561 . 1 1 47 47 LYS CB C 13 35.165 . . 1 . . . . 47 LYS CB . 19240 1 562 . 1 1 47 47 LYS CG C 13 25.299 . . 1 . . . . 47 LYS CG . 19240 1 563 . 1 1 47 47 LYS CD C 13 29.427 . . 1 . . . . 47 LYS CD . 19240 1 564 . 1 1 47 47 LYS CE C 13 41.540 . . 1 . . . . 47 LYS CE . 19240 1 565 . 1 1 47 47 LYS N N 15 124.383 . . 1 . . . . 47 LYS N . 19240 1 566 . 1 1 48 48 PHE H H 1 7.942 . . 1 . . . . 48 PHE H . 19240 1 567 . 1 1 48 48 PHE HA H 1 4.640 . . 1 . . . . 48 PHE HA . 19240 1 568 . 1 1 48 48 PHE HB2 H 1 2.840 . . 1 . . . . 48 PHE HB2 . 19240 1 569 . 1 1 48 48 PHE HB3 H 1 2.734 . . 1 . . . . 48 PHE HB3 . 19240 1 570 . 1 1 48 48 PHE HD1 H 1 6.871 . . 1 . . . . 48 PHE HD1 . 19240 1 571 . 1 1 48 48 PHE HD2 H 1 6.871 . . 1 . . . . 48 PHE HD2 . 19240 1 572 . 1 1 48 48 PHE HE1 H 1 6.944 . . 1 . . . . 48 PHE HE1 . 19240 1 573 . 1 1 48 48 PHE HE2 H 1 6.944 . . 1 . . . . 48 PHE HE2 . 19240 1 574 . 1 1 48 48 PHE HZ H 1 6.782 . . 1 . . . . 48 PHE HZ . 19240 1 575 . 1 1 48 48 PHE C C 13 171.512 . . 1 . . . . 48 PHE C . 19240 1 576 . 1 1 48 48 PHE CA C 13 55.651 . . 1 . . . . 48 PHE CA . 19240 1 577 . 1 1 48 48 PHE CB C 13 41.218 . . 1 . . . . 48 PHE CB . 19240 1 578 . 1 1 48 48 PHE CD1 C 13 132.892 . . 1 . . . . 48 PHE CD1 . 19240 1 579 . 1 1 48 48 PHE CD2 C 13 132.892 . . 1 . . . . 48 PHE CD2 . 19240 1 580 . 1 1 48 48 PHE CE1 C 13 129.949 . . 1 . . . . 48 PHE CE1 . 19240 1 581 . 1 1 48 48 PHE CE2 C 13 129.949 . . 1 . . . . 48 PHE CE2 . 19240 1 582 . 1 1 48 48 PHE CZ C 13 127.781 . . 1 . . . . 48 PHE CZ . 19240 1 583 . 1 1 48 48 PHE N N 15 115.417 . . 1 . . . . 48 PHE N . 19240 1 584 . 1 1 49 49 MET H H 1 9.138 . . 1 . . . . 49 MET H . 19240 1 585 . 1 1 49 49 MET HA H 1 4.609 . . 1 . . . . 49 MET HA . 19240 1 586 . 1 1 49 49 MET HB2 H 1 1.733 . . 1 . . . . 49 MET HB2 . 19240 1 587 . 1 1 49 49 MET HB3 H 1 1.747 . . 1 . . . . 49 MET HB3 . 19240 1 588 . 1 1 49 49 MET HG2 H 1 2.040 . . 1 . . . . 49 MET HG2 . 19240 1 589 . 1 1 49 49 MET C C 13 176.278 . . 1 . . . . 49 MET C . 19240 1 590 . 1 1 49 49 MET CA C 13 54.249 . . 1 . . . . 49 MET CA . 19240 1 591 . 1 1 49 49 MET CB C 13 33.403 . . 1 . . . . 49 MET CB . 19240 1 592 . 1 1 49 49 MET CG C 13 31.179 . . 1 . . . . 49 MET CG . 19240 1 593 . 1 1 49 49 MET CE C 13 16.826 . . 1 . . . . 49 MET CE . 19240 1 594 . 1 1 49 49 MET N N 15 122.850 . . 1 . . . . 49 MET N . 19240 1 595 . 1 1 50 50 LEU H H 1 8.570 . . 1 . . . . 50 LEU H . 19240 1 596 . 1 1 50 50 LEU HA H 1 4.168 . . 1 . . . . 50 LEU HA . 19240 1 597 . 1 1 50 50 LEU HB2 H 1 1.297 . . 1 . . . . 50 LEU HB2 . 19240 1 598 . 1 1 50 50 LEU HB3 H 1 1.883 . . 1 . . . . 50 LEU HB3 . 19240 1 599 . 1 1 50 50 LEU HG H 1 1.541 . . 1 . . . . 50 LEU HG . 19240 1 600 . 1 1 50 50 LEU HD11 H 1 0.986 . . 1 . . . . 50 LEU HD11 . 19240 1 601 . 1 1 50 50 LEU HD12 H 1 0.986 . . 1 . . . . 50 LEU HD12 . 19240 1 602 . 1 1 50 50 LEU HD13 H 1 0.986 . . 1 . . . . 50 LEU HD13 . 19240 1 603 . 1 1 50 50 LEU HD21 H 1 0.663 . . 1 . . . . 50 LEU HD21 . 19240 1 604 . 1 1 50 50 LEU HD22 H 1 0.663 . . 1 . . . . 50 LEU HD22 . 19240 1 605 . 1 1 50 50 LEU HD23 H 1 0.663 . . 1 . . . . 50 LEU HD23 . 19240 1 606 . 1 1 50 50 LEU C C 13 177.649 . . 1 . . . . 50 LEU C . 19240 1 607 . 1 1 50 50 LEU CA C 13 57.166 . . 1 . . . . 50 LEU CA . 19240 1 608 . 1 1 50 50 LEU CB C 13 41.737 . . 1 . . . . 50 LEU CB . 19240 1 609 . 1 1 50 50 LEU CG C 13 27.087 . . 1 . . . . 50 LEU CG . 19240 1 610 . 1 1 50 50 LEU CD1 C 13 25.548 . . 1 . . . . 50 LEU CD1 . 19240 1 611 . 1 1 50 50 LEU CD2 C 13 24.895 . . 1 . . . . 50 LEU CD2 . 19240 1 612 . 1 1 50 50 LEU N N 15 131.410 . . 1 . . . . 50 LEU N . 19240 1 613 . 1 1 51 51 GLY H H 1 10.000 . . 1 . . . . 51 GLY H . 19240 1 614 . 1 1 51 51 GLY HA2 H 1 4.260 . . 1 . . . . 51 GLY HA2 . 19240 1 615 . 1 1 51 51 GLY HA3 H 1 3.767 . . 1 . . . . 51 GLY HA3 . 19240 1 616 . 1 1 51 51 GLY C C 13 174.344 . . 1 . . . . 51 GLY C . 19240 1 617 . 1 1 51 51 GLY CA C 13 45.395 . . 1 . . . . 51 GLY CA . 19240 1 618 . 1 1 51 51 GLY N N 15 118.418 . . 1 . . . . 51 GLY N . 19240 1 619 . 1 1 52 52 LYS H H 1 7.513 . . 1 . . . . 52 LYS H . 19240 1 620 . 1 1 52 52 LYS HA H 1 4.389 . . 1 . . . . 52 LYS HA . 19240 1 621 . 1 1 52 52 LYS HB2 H 1 1.668 . . 1 . . . . 52 LYS HB2 . 19240 1 622 . 1 1 52 52 LYS HB3 H 1 2.029 . . 1 . . . . 52 LYS HB3 . 19240 1 623 . 1 1 52 52 LYS HG2 H 1 1.258 . . 1 . . . . 52 LYS HG2 . 19240 1 624 . 1 1 52 52 LYS HG3 H 1 1.487 . . 1 . . . . 52 LYS HG3 . 19240 1 625 . 1 1 52 52 LYS HD2 H 1 1.605 . . 1 . . . . 52 LYS HD2 . 19240 1 626 . 1 1 52 52 LYS HD3 H 1 1.617 . . 1 . . . . 52 LYS HD3 . 19240 1 627 . 1 1 52 52 LYS HE2 H 1 2.889 . . 1 . . . . 52 LYS HE2 . 19240 1 628 . 1 1 52 52 LYS HE3 H 1 2.946 . . 1 . . . . 52 LYS HE3 . 19240 1 629 . 1 1 52 52 LYS C C 13 175.243 . . 1 . . . . 52 LYS C . 19240 1 630 . 1 1 52 52 LYS CA C 13 54.790 . . 1 . . . . 52 LYS CA . 19240 1 631 . 1 1 52 52 LYS CB C 13 32.978 . . 1 . . . . 52 LYS CB . 19240 1 632 . 1 1 52 52 LYS CG C 13 25.117 . . 1 . . . . 52 LYS CG . 19240 1 633 . 1 1 52 52 LYS CD C 13 28.517 . . 1 . . . . 52 LYS CD . 19240 1 634 . 1 1 52 52 LYS CE C 13 41.997 . . 1 . . . . 52 LYS CE . 19240 1 635 . 1 1 52 52 LYS N N 15 119.181 . . 1 . . . . 52 LYS N . 19240 1 636 . 1 1 53 53 GLN H H 1 8.993 . . 1 . . . . 53 GLN H . 19240 1 637 . 1 1 53 53 GLN HA H 1 3.884 . . 1 . . . . 53 GLN HA . 19240 1 638 . 1 1 53 53 GLN HB2 H 1 2.140 . . 1 . . . . 53 GLN HB2 . 19240 1 639 . 1 1 53 53 GLN HB3 H 1 2.160 . . 1 . . . . 53 GLN HB3 . 19240 1 640 . 1 1 53 53 GLN HG2 H 1 2.100 . . 1 . . . . 53 GLN HG2 . 19240 1 641 . 1 1 53 53 GLN HG3 H 1 2.195 . . 1 . . . . 53 GLN HG3 . 19240 1 642 . 1 1 53 53 GLN HE21 H 1 6.580 . . 1 . . . . 53 GLN HE21 . 19240 1 643 . 1 1 53 53 GLN HE22 H 1 7.463 . . 1 . . . . 53 GLN HE22 . 19240 1 644 . 1 1 53 53 GLN C C 13 175.840 . . 1 . . . . 53 GLN C . 19240 1 645 . 1 1 53 53 GLN CA C 13 57.114 . . 1 . . . . 53 GLN CA . 19240 1 646 . 1 1 53 53 GLN CB C 13 25.778 . . 1 . . . . 53 GLN CB . 19240 1 647 . 1 1 53 53 GLN CG C 13 34.527 . . 1 . . . . 53 GLN CG . 19240 1 648 . 1 1 53 53 GLN N N 15 116.855 . . 1 . . . . 53 GLN N . 19240 1 649 . 1 1 53 53 GLN NE2 N 15 111.950 . . 1 . . . . 53 GLN NE2 . 19240 1 650 . 1 1 54 54 GLU H H 1 9.336 . . 1 . . . . 54 GLU H . 19240 1 651 . 1 1 54 54 GLU HA H 1 4.153 . . 1 . . . . 54 GLU HA . 19240 1 652 . 1 1 54 54 GLU HB2 H 1 1.999 . . 1 . . . . 54 GLU HB2 . 19240 1 653 . 1 1 54 54 GLU HB3 H 1 2.069 . . 1 . . . . 54 GLU HB3 . 19240 1 654 . 1 1 54 54 GLU HG2 H 1 2.206 . . 1 . . . . 54 GLU HG2 . 19240 1 655 . 1 1 54 54 GLU HG3 H 1 2.206 . . 1 . . . . 54 GLU HG3 . 19240 1 656 . 1 1 54 54 GLU C C 13 176.046 . . 1 . . . . 54 GLU C . 19240 1 657 . 1 1 54 54 GLU CA C 13 57.317 . . 1 . . . . 54 GLU CA . 19240 1 658 . 1 1 54 54 GLU CB C 13 30.786 . . 1 . . . . 54 GLU CB . 19240 1 659 . 1 1 54 54 GLU CG C 13 37.025 . . 1 . . . . 54 GLU CG . 19240 1 660 . 1 1 54 54 GLU N N 15 117.407 . . 1 . . . . 54 GLU N . 19240 1 661 . 1 1 55 55 VAL H H 1 6.770 . . 1 . . . . 55 VAL H . 19240 1 662 . 1 1 55 55 VAL HA H 1 4.257 . . 1 . . . . 55 VAL HA . 19240 1 663 . 1 1 55 55 VAL HB H 1 1.380 . . 1 . . . . 55 VAL HB . 19240 1 664 . 1 1 55 55 VAL HG11 H 1 0.042 . . 1 . . . . 55 VAL HG11 . 19240 1 665 . 1 1 55 55 VAL HG12 H 1 0.042 . . 1 . . . . 55 VAL HG12 . 19240 1 666 . 1 1 55 55 VAL HG13 H 1 0.042 . . 1 . . . . 55 VAL HG13 . 19240 1 667 . 1 1 55 55 VAL HG21 H 1 0.016 . . 1 . . . . 55 VAL HG21 . 19240 1 668 . 1 1 55 55 VAL HG22 H 1 0.016 . . 1 . . . . 55 VAL HG22 . 19240 1 669 . 1 1 55 55 VAL HG23 H 1 0.016 . . 1 . . . . 55 VAL HG23 . 19240 1 670 . 1 1 55 55 VAL C C 13 175.038 . . 1 . . . . 55 VAL C . 19240 1 671 . 1 1 55 55 VAL CA C 13 57.376 . . 1 . . . . 55 VAL CA . 19240 1 672 . 1 1 55 55 VAL CB C 13 35.211 . . 1 . . . . 55 VAL CB . 19240 1 673 . 1 1 55 55 VAL CG1 C 13 17.876 . . 1 . . . . 55 VAL CG1 . 19240 1 674 . 1 1 55 55 VAL CG2 C 13 21.526 . . 1 . . . . 55 VAL CG2 . 19240 1 675 . 1 1 55 55 VAL N N 15 108.277 . . 1 . . . . 55 VAL N . 19240 1 676 . 1 1 56 56 ILE H H 1 7.369 . . 1 . . . . 56 ILE H . 19240 1 677 . 1 1 56 56 ILE HA H 1 3.780 . . 1 . . . . 56 ILE HA . 19240 1 678 . 1 1 56 56 ILE HB H 1 2.104 . . 1 . . . . 56 ILE HB . 19240 1 679 . 1 1 56 56 ILE HG12 H 1 0.772 . . 1 . . . . 56 ILE HG12 . 19240 1 680 . 1 1 56 56 ILE HG13 H 1 1.080 . . 1 . . . . 56 ILE HG13 . 19240 1 681 . 1 1 56 56 ILE HG21 H 1 0.148 . . 1 . . . . 56 ILE HG21 . 19240 1 682 . 1 1 56 56 ILE HG22 H 1 0.148 . . 1 . . . . 56 ILE HG22 . 19240 1 683 . 1 1 56 56 ILE HG23 H 1 0.148 . . 1 . . . . 56 ILE HG23 . 19240 1 684 . 1 1 56 56 ILE HD11 H 1 0.679 . . 1 . . . . 56 ILE HD11 . 19240 1 685 . 1 1 56 56 ILE HD12 H 1 0.679 . . 1 . . . . 56 ILE HD12 . 19240 1 686 . 1 1 56 56 ILE HD13 H 1 0.679 . . 1 . . . . 56 ILE HD13 . 19240 1 687 . 1 1 56 56 ILE C C 13 177.090 . . 1 . . . . 56 ILE C . 19240 1 688 . 1 1 56 56 ILE CA C 13 61.836 . . 1 . . . . 56 ILE CA . 19240 1 689 . 1 1 56 56 ILE CB C 13 38.386 . . 1 . . . . 56 ILE CB . 19240 1 690 . 1 1 56 56 ILE CG1 C 13 24.911 . . 1 . . . . 56 ILE CG1 . 19240 1 691 . 1 1 56 56 ILE CG2 C 13 17.394 . . 1 . . . . 56 ILE CG2 . 19240 1 692 . 1 1 56 56 ILE CD1 C 13 14.344 . . 1 . . . . 56 ILE CD1 . 19240 1 693 . 1 1 56 56 ILE N N 15 111.410 . . 1 . . . . 56 ILE N . 19240 1 694 . 1 1 57 57 ARG H H 1 8.576 . . 1 . . . . 57 ARG H . 19240 1 695 . 1 1 57 57 ARG HA H 1 3.977 . . 1 . . . . 57 ARG HA . 19240 1 696 . 1 1 57 57 ARG HB2 H 1 1.283 . . 1 . . . . 57 ARG HB2 . 19240 1 697 . 1 1 57 57 ARG HB3 H 1 1.700 . . 1 . . . . 57 ARG HB3 . 19240 1 698 . 1 1 57 57 ARG HG2 H 1 1.036 . . 1 . . . . 57 ARG HG2 . 19240 1 699 . 1 1 57 57 ARG HG3 H 1 1.509 . . 1 . . . . 57 ARG HG3 . 19240 1 700 . 1 1 57 57 ARG HD2 H 1 2.038 . . 1 . . . . 57 ARG HD2 . 19240 1 701 . 1 1 57 57 ARG HD3 H 1 2.719 . . 1 . . . . 57 ARG HD3 . 19240 1 702 . 1 1 57 57 ARG C C 13 179.179 . . 1 . . . . 57 ARG C . 19240 1 703 . 1 1 57 57 ARG CA C 13 59.782 . . 1 . . . . 57 ARG CA . 19240 1 704 . 1 1 57 57 ARG CB C 13 30.150 . . 1 . . . . 57 ARG CB . 19240 1 705 . 1 1 57 57 ARG CG C 13 26.501 . . 1 . . . . 57 ARG CG . 19240 1 706 . 1 1 57 57 ARG CD C 13 43.313 . . 1 . . . . 57 ARG CD . 19240 1 707 . 1 1 57 57 ARG N N 15 124.697 . . 1 . . . . 57 ARG N . 19240 1 708 . 1 1 58 58 GLY H H 1 9.528 . . 1 . . . . 58 GLY H . 19240 1 709 . 1 1 58 58 GLY HA2 H 1 3.868 . . 1 . . . . 58 GLY HA2 . 19240 1 710 . 1 1 58 58 GLY HA3 H 1 3.731 . . 1 . . . . 58 GLY HA3 . 19240 1 711 . 1 1 58 58 GLY C C 13 175.021 . . 1 . . . . 58 GLY C . 19240 1 712 . 1 1 58 58 GLY CA C 13 47.642 . . 1 . . . . 58 GLY CA . 19240 1 713 . 1 1 58 58 GLY N N 15 100.975 . . 1 . . . . 58 GLY N . 19240 1 714 . 1 1 59 59 TRP H H 1 7.460 . . 1 . . . . 59 TRP H . 19240 1 715 . 1 1 59 59 TRP HA H 1 4.176 . . 1 . . . . 59 TRP HA . 19240 1 716 . 1 1 59 59 TRP HB2 H 1 2.659 . . 1 . . . . 59 TRP HB2 . 19240 1 717 . 1 1 59 59 TRP HB3 H 1 2.715 . . 1 . . . . 59 TRP HB3 . 19240 1 718 . 1 1 59 59 TRP HD1 H 1 6.308 . . 1 . . . . 59 TRP HD1 . 19240 1 719 . 1 1 59 59 TRP HE1 H 1 5.763 . . 1 . . . . 59 TRP HE1 . 19240 1 720 . 1 1 59 59 TRP HE3 H 1 6.557 . . 1 . . . . 59 TRP HE3 . 19240 1 721 . 1 1 59 59 TRP HZ2 H 1 6.114 . . 1 . . . . 59 TRP HZ2 . 19240 1 722 . 1 1 59 59 TRP HZ3 H 1 6.591 . . 1 . . . . 59 TRP HZ3 . 19240 1 723 . 1 1 59 59 TRP HH2 H 1 5.641 . . 1 . . . . 59 TRP HH2 . 19240 1 724 . 1 1 59 59 TRP C C 13 177.180 . . 1 . . . . 59 TRP C . 19240 1 725 . 1 1 59 59 TRP CA C 13 59.749 . . 1 . . . . 59 TRP CA . 19240 1 726 . 1 1 59 59 TRP CB C 13 28.940 . . 1 . . . . 59 TRP CB . 19240 1 727 . 1 1 59 59 TRP CD1 C 13 121.076 . . 1 . . . . 59 TRP CD1 . 19240 1 728 . 1 1 59 59 TRP CE3 C 13 120.114 . . 1 . . . . 59 TRP CE3 . 19240 1 729 . 1 1 59 59 TRP CZ2 C 13 111.895 . . 1 . . . . 59 TRP CZ2 . 19240 1 730 . 1 1 59 59 TRP CZ3 C 13 121.268 . . 1 . . . . 59 TRP CZ3 . 19240 1 731 . 1 1 59 59 TRP CH2 C 13 124.135 . . 1 . . . . 59 TRP CH2 . 19240 1 732 . 1 1 59 59 TRP N N 15 119.870 . . 1 . . . . 59 TRP N . 19240 1 733 . 1 1 59 59 TRP NE1 N 15 117.833 . . 1 . . . . 59 TRP NE1 . 19240 1 734 . 1 1 60 60 GLU H H 1 7.304 . . 1 . . . . 60 GLU H . 19240 1 735 . 1 1 60 60 GLU HA H 1 3.844 . . 1 . . . . 60 GLU HA . 19240 1 736 . 1 1 60 60 GLU HB2 H 1 2.000 . . 1 . . . . 60 GLU HB2 . 19240 1 737 . 1 1 60 60 GLU HB3 H 1 2.100 . . 1 . . . . 60 GLU HB3 . 19240 1 738 . 1 1 60 60 GLU HG2 H 1 2.278 . . 1 . . . . 60 GLU HG2 . 19240 1 739 . 1 1 60 60 GLU HG3 H 1 2.278 . . 1 . . . . 60 GLU HG3 . 19240 1 740 . 1 1 60 60 GLU C C 13 178.236 . . 1 . . . . 60 GLU C . 19240 1 741 . 1 1 60 60 GLU CA C 13 60.999 . . 1 . . . . 60 GLU CA . 19240 1 742 . 1 1 60 60 GLU CB C 13 29.046 . . 1 . . . . 60 GLU CB . 19240 1 743 . 1 1 60 60 GLU CG C 13 37.155 . . 1 . . . . 60 GLU CG . 19240 1 744 . 1 1 60 60 GLU N N 15 118.501 . . 1 . . . . 60 GLU N . 19240 1 745 . 1 1 61 61 GLU H H 1 8.360 . . 1 . . . . 61 GLU H . 19240 1 746 . 1 1 61 61 GLU HA H 1 4.106 . . 1 . . . . 61 GLU HA . 19240 1 747 . 1 1 61 61 GLU HB2 H 1 1.833 . . 1 . . . . 61 GLU HB2 . 19240 1 748 . 1 1 61 61 GLU HB3 H 1 2.103 . . 1 . . . . 61 GLU HB3 . 19240 1 749 . 1 1 61 61 GLU HG2 H 1 2.274 . . 1 . . . . 61 GLU HG2 . 19240 1 750 . 1 1 61 61 GLU HG3 H 1 2.373 . . 1 . . . . 61 GLU HG3 . 19240 1 751 . 1 1 61 61 GLU C C 13 179.095 . . 1 . . . . 61 GLU C . 19240 1 752 . 1 1 61 61 GLU CA C 13 58.664 . . 1 . . . . 61 GLU CA . 19240 1 753 . 1 1 61 61 GLU CB C 13 29.558 . . 1 . . . . 61 GLU CB . 19240 1 754 . 1 1 61 61 GLU CG C 13 36.767 . . 1 . . . . 61 GLU CG . 19240 1 755 . 1 1 61 61 GLU N N 15 113.496 . . 1 . . . . 61 GLU N . 19240 1 756 . 1 1 62 62 GLY H H 1 7.799 . . 1 . . . . 62 GLY H . 19240 1 757 . 1 1 62 62 GLY HA2 H 1 3.571 . . 1 . . . . 62 GLY HA2 . 19240 1 758 . 1 1 62 62 GLY HA3 H 1 3.663 . . 1 . . . . 62 GLY HA3 . 19240 1 759 . 1 1 62 62 GLY C C 13 174.326 . . 1 . . . . 62 GLY C . 19240 1 760 . 1 1 62 62 GLY CA C 13 47.107 . . 1 . . . . 62 GLY CA . 19240 1 761 . 1 1 62 62 GLY N N 15 107.130 . . 1 . . . . 62 GLY N . 19240 1 762 . 1 1 63 63 VAL H H 1 8.660 . . 1 . . . . 63 VAL H . 19240 1 763 . 1 1 63 63 VAL HA H 1 3.865 . . 1 . . . . 63 VAL HA . 19240 1 764 . 1 1 63 63 VAL HB H 1 2.200 . . 1 . . . . 63 VAL HB . 19240 1 765 . 1 1 63 63 VAL HG11 H 1 0.936 . . 1 . . . . 63 VAL HG11 . 19240 1 766 . 1 1 63 63 VAL HG12 H 1 0.936 . . 1 . . . . 63 VAL HG12 . 19240 1 767 . 1 1 63 63 VAL HG13 H 1 0.936 . . 1 . . . . 63 VAL HG13 . 19240 1 768 . 1 1 63 63 VAL HG21 H 1 1.017 . . 1 . . . . 63 VAL HG21 . 19240 1 769 . 1 1 63 63 VAL HG22 H 1 1.017 . . 1 . . . . 63 VAL HG22 . 19240 1 770 . 1 1 63 63 VAL HG23 H 1 1.017 . . 1 . . . . 63 VAL HG23 . 19240 1 771 . 1 1 63 63 VAL C C 13 177.199 . . 1 . . . . 63 VAL C . 19240 1 772 . 1 1 63 63 VAL CA C 13 65.365 . . 1 . . . . 63 VAL CA . 19240 1 773 . 1 1 63 63 VAL CB C 13 30.772 . . 1 . . . . 63 VAL CB . 19240 1 774 . 1 1 63 63 VAL CG1 C 13 23.688 . . 1 . . . . 63 VAL CG1 . 19240 1 775 . 1 1 63 63 VAL CG2 C 13 22.580 . . 1 . . . . 63 VAL CG2 . 19240 1 776 . 1 1 63 63 VAL N N 15 120.613 . . 1 . . . . 63 VAL N . 19240 1 777 . 1 1 64 64 ALA H H 1 7.033 . . 1 . . . . 64 ALA H . 19240 1 778 . 1 1 64 64 ALA HA H 1 3.964 . . 1 . . . . 64 ALA HA . 19240 1 779 . 1 1 64 64 ALA HB1 H 1 1.512 . . 1 . . . . 64 ALA HB1 . 19240 1 780 . 1 1 64 64 ALA HB2 H 1 1.512 . . 1 . . . . 64 ALA HB2 . 19240 1 781 . 1 1 64 64 ALA HB3 H 1 1.512 . . 1 . . . . 64 ALA HB3 . 19240 1 782 . 1 1 64 64 ALA C C 13 177.601 . . 1 . . . . 64 ALA C . 19240 1 783 . 1 1 64 64 ALA CA C 13 54.485 . . 1 . . . . 64 ALA CA . 19240 1 784 . 1 1 64 64 ALA CB C 13 18.672 . . 1 . . . . 64 ALA CB . 19240 1 785 . 1 1 64 64 ALA N N 15 116.893 . . 1 . . . . 64 ALA N . 19240 1 786 . 1 1 65 65 GLN H H 1 7.079 . . 1 . . . . 65 GLN H . 19240 1 787 . 1 1 65 65 GLN HA H 1 4.308 . . 1 . . . . 65 GLN HA . 19240 1 788 . 1 1 65 65 GLN HB2 H 1 2.325 . . 1 . . . . 65 GLN HB2 . 19240 1 789 . 1 1 65 65 GLN HB3 H 1 2.079 . . 1 . . . . 65 GLN HB3 . 19240 1 790 . 1 1 65 65 GLN HG2 H 1 2.478 . . 1 . . . . 65 GLN HG2 . 19240 1 791 . 1 1 65 65 GLN HE21 H 1 7.159 . . 1 . . . . 65 GLN HE21 . 19240 1 792 . 1 1 65 65 GLN HE22 H 1 6.999 . . 1 . . . . 65 GLN HE22 . 19240 1 793 . 1 1 65 65 GLN C C 13 175.365 . . 1 . . . . 65 GLN C . 19240 1 794 . 1 1 65 65 GLN CA C 13 55.419 . . 1 . . . . 65 GLN CA . 19240 1 795 . 1 1 65 65 GLN CB C 13 29.710 . . 1 . . . . 65 GLN CB . 19240 1 796 . 1 1 65 65 GLN CG C 13 34.218 . . 1 . . . . 65 GLN CG . 19240 1 797 . 1 1 65 65 GLN N N 15 112.174 . . 1 . . . . 65 GLN N . 19240 1 798 . 1 1 65 65 GLN NE2 N 15 111.291 . . 1 . . . . 65 GLN NE2 . 19240 1 799 . 1 1 66 66 MET H H 1 7.917 . . 1 . . . . 66 MET H . 19240 1 800 . 1 1 66 66 MET HA H 1 4.722 . . 1 . . . . 66 MET HA . 19240 1 801 . 1 1 66 66 MET HB2 H 1 1.886 . . 1 . . . . 66 MET HB2 . 19240 1 802 . 1 1 66 66 MET HB3 H 1 2.079 . . 1 . . . . 66 MET HB3 . 19240 1 803 . 1 1 66 66 MET HG2 H 1 2.664 . . 1 . . . . 66 MET HG2 . 19240 1 804 . 1 1 66 66 MET HE1 H 1 1.809 . . 1 . . . . 66 MET HE . 19240 1 805 . 1 1 66 66 MET HE2 H 1 1.809 . . 1 . . . . 66 MET HE . 19240 1 806 . 1 1 66 66 MET HE3 H 1 1.809 . . 1 . . . . 66 MET HE . 19240 1 807 . 1 1 66 66 MET C C 13 172.272 . . 1 . . . . 66 MET C . 19240 1 808 . 1 1 66 66 MET CA C 13 54.825 . . 1 . . . . 66 MET CA . 19240 1 809 . 1 1 66 66 MET CB C 13 35.282 . . 1 . . . . 66 MET CB . 19240 1 810 . 1 1 66 66 MET CE C 13 17.500 . . 1 . . . . 66 MET CE . 19240 1 811 . 1 1 66 66 MET N N 15 122.473 . . 1 . . . . 66 MET N . 19240 1 812 . 1 1 67 67 SER H H 1 8.143 . . 1 . . . . 67 SER H . 19240 1 813 . 1 1 67 67 SER HA H 1 4.772 . . 1 . . . . 67 SER HA . 19240 1 814 . 1 1 67 67 SER HB2 H 1 3.681 . . 1 . . . . 67 SER HB2 . 19240 1 815 . 1 1 67 67 SER HB3 H 1 2.295 . . 1 . . . . 67 SER HB3 . 19240 1 816 . 1 1 67 67 SER C C 13 176.107 . . 1 . . . . 67 SER C . 19240 1 817 . 1 1 67 67 SER CA C 13 54.385 . . 1 . . . . 67 SER CA . 19240 1 818 . 1 1 67 67 SER CB C 13 65.898 . . 1 . . . . 67 SER CB . 19240 1 819 . 1 1 67 67 SER N N 15 107.582 . . 1 . . . . 67 SER N . 19240 1 820 . 1 1 68 68 VAL H H 1 7.601 . . 1 . . . . 68 VAL H . 19240 1 821 . 1 1 68 68 VAL HA H 1 3.041 . . 1 . . . . 68 VAL HA . 19240 1 822 . 1 1 68 68 VAL HB H 1 1.724 . . 1 . . . . 68 VAL HB . 19240 1 823 . 1 1 68 68 VAL HG11 H 1 0.772 . . 1 . . . . 68 VAL HG11 . 19240 1 824 . 1 1 68 68 VAL HG12 H 1 0.772 . . 1 . . . . 68 VAL HG12 . 19240 1 825 . 1 1 68 68 VAL HG13 H 1 0.772 . . 1 . . . . 68 VAL HG13 . 19240 1 826 . 1 1 68 68 VAL HG21 H 1 0.807 . . 1 . . . . 68 VAL HG21 . 19240 1 827 . 1 1 68 68 VAL HG22 H 1 0.807 . . 1 . . . . 68 VAL HG22 . 19240 1 828 . 1 1 68 68 VAL HG23 H 1 0.807 . . 1 . . . . 68 VAL HG23 . 19240 1 829 . 1 1 68 68 VAL C C 13 176.249 . . 1 . . . . 68 VAL C . 19240 1 830 . 1 1 68 68 VAL CA C 13 67.005 . . 1 . . . . 68 VAL CA . 19240 1 831 . 1 1 68 68 VAL CB C 13 31.270 . . 1 . . . . 68 VAL CB . 19240 1 832 . 1 1 68 68 VAL CG1 C 13 21.485 . . 1 . . . . 68 VAL CG1 . 19240 1 833 . 1 1 68 68 VAL CG2 C 13 23.135 . . 1 . . . . 68 VAL CG2 . 19240 1 834 . 1 1 68 68 VAL N N 15 119.172 . . 1 . . . . 68 VAL N . 19240 1 835 . 1 1 69 69 GLY H H 1 8.799 . . 1 . . . . 69 GLY H . 19240 1 836 . 1 1 69 69 GLY HA2 H 1 4.349 . . 1 . . . . 69 GLY HA2 . 19240 1 837 . 1 1 69 69 GLY HA3 H 1 3.775 . . 1 . . . . 69 GLY HA3 . 19240 1 838 . 1 1 69 69 GLY C C 13 173.696 . . 1 . . . . 69 GLY C . 19240 1 839 . 1 1 69 69 GLY CA C 13 44.359 . . 1 . . . . 69 GLY CA . 19240 1 840 . 1 1 69 69 GLY N N 15 116.861 . . 1 . . . . 69 GLY N . 19240 1 841 . 1 1 70 70 GLN H H 1 8.562 . . 1 . . . . 70 GLN H . 19240 1 842 . 1 1 70 70 GLN HA H 1 3.978 . . 1 . . . . 70 GLN HA . 19240 1 843 . 1 1 70 70 GLN HB2 H 1 2.106 . . 1 . . . . 70 GLN HB2 . 19240 1 844 . 1 1 70 70 GLN HB3 H 1 2.106 . . 1 . . . . 70 GLN HB3 . 19240 1 845 . 1 1 70 70 GLN HG2 H 1 2.895 . . 1 . . . . 70 GLN HG2 . 19240 1 846 . 1 1 70 70 GLN HG3 H 1 2.895 . . 1 . . . . 70 GLN HG3 . 19240 1 847 . 1 1 70 70 GLN HE21 H 1 7.553 . . 1 . . . . 70 GLN HE21 . 19240 1 848 . 1 1 70 70 GLN HE22 H 1 6.438 . . 1 . . . . 70 GLN HE22 . 19240 1 849 . 1 1 70 70 GLN C C 13 173.408 . . 1 . . . . 70 GLN C . 19240 1 850 . 1 1 70 70 GLN CA C 13 55.736 . . 1 . . . . 70 GLN CA . 19240 1 851 . 1 1 70 70 GLN CB C 13 30.161 . . 1 . . . . 70 GLN CB . 19240 1 852 . 1 1 70 70 GLN CG C 13 33.338 . . 1 . . . . 70 GLN CG . 19240 1 853 . 1 1 70 70 GLN N N 15 123.160 . . 1 . . . . 70 GLN N . 19240 1 854 . 1 1 70 70 GLN NE2 N 15 108.549 . . 1 . . . . 70 GLN NE2 . 19240 1 855 . 1 1 71 71 ARG H H 1 8.746 . . 1 . . . . 71 ARG H . 19240 1 856 . 1 1 71 71 ARG HA H 1 5.615 . . 1 . . . . 71 ARG HA . 19240 1 857 . 1 1 71 71 ARG HB2 H 1 1.485 . . 1 . . . . 71 ARG HB2 . 19240 1 858 . 1 1 71 71 ARG HB3 H 1 1.796 . . 1 . . . . 71 ARG HB3 . 19240 1 859 . 1 1 71 71 ARG HG2 H 1 1.335 . . 1 . . . . 71 ARG HG2 . 19240 1 860 . 1 1 71 71 ARG HG3 H 1 1.485 . . 1 . . . . 71 ARG HG3 . 19240 1 861 . 1 1 71 71 ARG HD2 H 1 2.835 . . 1 . . . . 71 ARG HD2 . 19240 1 862 . 1 1 71 71 ARG HD3 H 1 2.915 . . 1 . . . . 71 ARG HD3 . 19240 1 863 . 1 1 71 71 ARG C C 13 175.388 . . 1 . . . . 71 ARG C . 19240 1 864 . 1 1 71 71 ARG CA C 13 53.880 . . 1 . . . . 71 ARG CA . 19240 1 865 . 1 1 71 71 ARG CB C 13 33.426 . . 1 . . . . 71 ARG CB . 19240 1 866 . 1 1 71 71 ARG CG C 13 26.947 . . 1 . . . . 71 ARG CG . 19240 1 867 . 1 1 71 71 ARG CD C 13 44.227 . . 1 . . . . 71 ARG CD . 19240 1 868 . 1 1 71 71 ARG N N 15 124.610 . . 1 . . . . 71 ARG N . 19240 1 869 . 1 1 72 72 ALA H H 1 9.882 . . 1 . . . . 72 ALA H . 19240 1 870 . 1 1 72 72 ALA HA H 1 5.059 . . 1 . . . . 72 ALA HA . 19240 1 871 . 1 1 72 72 ALA HB1 H 1 1.224 . . 1 . . . . 72 ALA HB1 . 19240 1 872 . 1 1 72 72 ALA HB2 H 1 1.224 . . 1 . . . . 72 ALA HB2 . 19240 1 873 . 1 1 72 72 ALA HB3 H 1 1.224 . . 1 . . . . 72 ALA HB3 . 19240 1 874 . 1 1 72 72 ALA C C 13 172.868 . . 1 . . . . 72 ALA C . 19240 1 875 . 1 1 72 72 ALA CA C 13 51.054 . . 1 . . . . 72 ALA CA . 19240 1 876 . 1 1 72 72 ALA CB C 13 23.545 . . 1 . . . . 72 ALA CB . 19240 1 877 . 1 1 72 72 ALA N N 15 131.011 . . 1 . . . . 72 ALA N . 19240 1 878 . 1 1 73 73 LYS H H 1 9.171 . . 1 . . . . 73 LYS H . 19240 1 879 . 1 1 73 73 LYS HA H 1 5.200 . . 1 . . . . 73 LYS HA . 19240 1 880 . 1 1 73 73 LYS HB2 H 1 1.525 . . 1 . . . . 73 LYS HB2 . 19240 1 881 . 1 1 73 73 LYS HB3 H 1 1.676 . . 1 . . . . 73 LYS HB3 . 19240 1 882 . 1 1 73 73 LYS HG2 H 1 1.047 . . 1 . . . . 73 LYS HG2 . 19240 1 883 . 1 1 73 73 LYS HG3 H 1 1.354 . . 1 . . . . 73 LYS HG3 . 19240 1 884 . 1 1 73 73 LYS HD2 H 1 1.612 . . 1 . . . . 73 LYS HD2 . 19240 1 885 . 1 1 73 73 LYS HD3 H 1 1.612 . . 1 . . . . 73 LYS HD3 . 19240 1 886 . 1 1 73 73 LYS HE2 H 1 2.705 . . 1 . . . . 73 LYS HE2 . 19240 1 887 . 1 1 73 73 LYS HE3 H 1 2.705 . . 1 . . . . 73 LYS HE3 . 19240 1 888 . 1 1 73 73 LYS C C 13 175.888 . . 1 . . . . 73 LYS C . 19240 1 889 . 1 1 73 73 LYS CA C 13 54.652 . . 1 . . . . 73 LYS CA . 19240 1 890 . 1 1 73 73 LYS CB C 13 34.136 . . 1 . . . . 73 LYS CB . 19240 1 891 . 1 1 73 73 LYS CG C 13 24.450 . . 1 . . . . 73 LYS CG . 19240 1 892 . 1 1 73 73 LYS CD C 13 28.647 . . 1 . . . . 73 LYS CD . 19240 1 893 . 1 1 73 73 LYS CE C 13 42.177 . . 1 . . . . 73 LYS CE . 19240 1 894 . 1 1 73 73 LYS N N 15 120.697 . . 1 . . . . 73 LYS N . 19240 1 895 . 1 1 74 74 LEU H H 1 9.929 . . 1 . . . . 74 LEU H . 19240 1 896 . 1 1 74 74 LEU HA H 1 5.442 . . 1 . . . . 74 LEU HA . 19240 1 897 . 1 1 74 74 LEU HB2 H 1 1.233 . . 1 . . . . 74 LEU HB2 . 19240 1 898 . 1 1 74 74 LEU HB3 H 1 1.751 . . 1 . . . . 74 LEU HB3 . 19240 1 899 . 1 1 74 74 LEU HG H 1 1.573 . . 1 . . . . 74 LEU HG . 19240 1 900 . 1 1 74 74 LEU HD11 H 1 0.629 . . 1 . . . . 74 LEU HD11 . 19240 1 901 . 1 1 74 74 LEU HD12 H 1 0.629 . . 1 . . . . 74 LEU HD12 . 19240 1 902 . 1 1 74 74 LEU HD13 H 1 0.629 . . 1 . . . . 74 LEU HD13 . 19240 1 903 . 1 1 74 74 LEU HD21 H 1 0.644 . . 1 . . . . 74 LEU HD21 . 19240 1 904 . 1 1 74 74 LEU HD22 H 1 0.644 . . 1 . . . . 74 LEU HD22 . 19240 1 905 . 1 1 74 74 LEU HD23 H 1 0.644 . . 1 . . . . 74 LEU HD23 . 19240 1 906 . 1 1 74 74 LEU C C 13 175.935 . . 1 . . . . 74 LEU C . 19240 1 907 . 1 1 74 74 LEU CA C 13 53.187 . . 1 . . . . 74 LEU CA . 19240 1 908 . 1 1 74 74 LEU CB C 13 43.736 . . 1 . . . . 74 LEU CB . 19240 1 909 . 1 1 74 74 LEU CG C 13 28.262 . . 1 . . . . 74 LEU CG . 19240 1 910 . 1 1 74 74 LEU CD1 C 13 25.471 . . 1 . . . . 74 LEU CD1 . 19240 1 911 . 1 1 74 74 LEU CD2 C 13 25.126 . . 1 . . . . 74 LEU CD2 . 19240 1 912 . 1 1 74 74 LEU N N 15 130.072 . . 1 . . . . 74 LEU N . 19240 1 913 . 1 1 75 75 THR H H 1 8.821 . . 1 . . . . 75 THR H . 19240 1 914 . 1 1 75 75 THR HA H 1 5.021 . . 1 . . . . 75 THR HA . 19240 1 915 . 1 1 75 75 THR HB H 1 3.945 . . 1 . . . . 75 THR HB . 19240 1 916 . 1 1 75 75 THR HG21 H 1 1.008 . . 1 . . . . 75 THR HG21 . 19240 1 917 . 1 1 75 75 THR HG22 H 1 1.008 . . 1 . . . . 75 THR HG22 . 19240 1 918 . 1 1 75 75 THR HG23 H 1 1.008 . . 1 . . . . 75 THR HG23 . 19240 1 919 . 1 1 75 75 THR C C 13 175.225 . . 1 . . . . 75 THR C . 19240 1 920 . 1 1 75 75 THR CA C 13 63.347 . . 1 . . . . 75 THR CA . 19240 1 921 . 1 1 75 75 THR CB C 13 68.765 . . 1 . . . . 75 THR CB . 19240 1 922 . 1 1 75 75 THR CG2 C 13 20.823 . . 1 . . . . 75 THR CG2 . 19240 1 923 . 1 1 75 75 THR N N 15 121.362 . . 1 . . . . 75 THR N . 19240 1 924 . 1 1 76 76 ILE H H 1 9.834 . . 1 . . . . 76 ILE H . 19240 1 925 . 1 1 76 76 ILE HA H 1 4.516 . . 1 . . . . 76 ILE HA . 19240 1 926 . 1 1 76 76 ILE HB H 1 1.763 . . 1 . . . . 76 ILE HB . 19240 1 927 . 1 1 76 76 ILE HG12 H 1 0.706 . . 1 . . . . 76 ILE HG12 . 19240 1 928 . 1 1 76 76 ILE HG13 H 1 1.694 . . 1 . . . . 76 ILE HG13 . 19240 1 929 . 1 1 76 76 ILE HG21 H 1 1.008 . . 1 . . . . 76 ILE HG21 . 19240 1 930 . 1 1 76 76 ILE HG22 H 1 1.008 . . 1 . . . . 76 ILE HG22 . 19240 1 931 . 1 1 76 76 ILE HG23 H 1 1.008 . . 1 . . . . 76 ILE HG23 . 19240 1 932 . 1 1 76 76 ILE HD11 H 1 0.790 . . 1 . . . . 76 ILE HD11 . 19240 1 933 . 1 1 76 76 ILE HD12 H 1 0.790 . . 1 . . . . 76 ILE HD12 . 19240 1 934 . 1 1 76 76 ILE HD13 H 1 0.790 . . 1 . . . . 76 ILE HD13 . 19240 1 935 . 1 1 76 76 ILE C C 13 173.537 . . 1 . . . . 76 ILE C . 19240 1 936 . 1 1 76 76 ILE CA C 13 61.373 . . 1 . . . . 76 ILE CA . 19240 1 937 . 1 1 76 76 ILE CB C 13 41.514 . . 1 . . . . 76 ILE CB . 19240 1 938 . 1 1 76 76 ILE CG1 C 13 27.680 . . 1 . . . . 76 ILE CG1 . 19240 1 939 . 1 1 76 76 ILE CG2 C 13 20.823 . . 1 . . . . 76 ILE CG2 . 19240 1 940 . 1 1 76 76 ILE CD1 C 13 14.999 . . 1 . . . . 76 ILE CD1 . 19240 1 941 . 1 1 76 76 ILE N N 15 130.012 . . 1 . . . . 76 ILE N . 19240 1 942 . 1 1 77 77 SER H H 1 8.226 . . 1 . . . . 77 SER H . 19240 1 943 . 1 1 77 77 SER HA H 1 4.660 . . 1 . . . . 77 SER HA . 19240 1 944 . 1 1 77 77 SER HB2 H 1 3.870 . . 1 . . . . 77 SER HB2 . 19240 1 945 . 1 1 77 77 SER HB3 H 1 4.330 . . 1 . . . . 77 SER HB3 . 19240 1 946 . 1 1 77 77 SER CA C 13 57.683 . . 1 . . . . 77 SER CA . 19240 1 947 . 1 1 77 77 SER CB C 13 61.618 . . 1 . . . . 77 SER CB . 19240 1 948 . 1 1 77 77 SER N N 15 121.965 . . 1 . . . . 77 SER N . 19240 1 949 . 1 1 78 78 PRO HA H 1 4.419 . . 1 . . . . 78 PRO HA . 19240 1 950 . 1 1 78 78 PRO HB2 H 1 1.986 . . 1 . . . . 78 PRO HB2 . 19240 1 951 . 1 1 78 78 PRO HB3 H 1 2.043 . . 1 . . . . 78 PRO HB3 . 19240 1 952 . 1 1 78 78 PRO HG2 H 1 1.714 . . 1 . . . . 78 PRO HG2 . 19240 1 953 . 1 1 78 78 PRO HG3 H 1 1.986 . . 1 . . . . 78 PRO HG3 . 19240 1 954 . 1 1 78 78 PRO HD2 H 1 3.752 . . 1 . . . . 78 PRO HD2 . 19240 1 955 . 1 1 78 78 PRO HD3 H 1 3.752 . . 1 . . . . 78 PRO HD3 . 19240 1 956 . 1 1 78 78 PRO C C 13 179.670 . . 1 . . . . 78 PRO C . 19240 1 957 . 1 1 78 78 PRO CA C 13 65.889 . . 1 . . . . 78 PRO CA . 19240 1 958 . 1 1 78 78 PRO CB C 13 30.505 . . 1 . . . . 78 PRO CB . 19240 1 959 . 1 1 78 78 PRO CG C 13 27.628 . . 1 . . . . 78 PRO CG . 19240 1 960 . 1 1 78 78 PRO CD C 13 49.890 . . 1 . . . . 78 PRO CD . 19240 1 961 . 1 1 79 79 ASP H H 1 9.443 . . 1 . . . . 79 ASP H . 19240 1 962 . 1 1 79 79 ASP HA H 1 4.343 . . 1 . . . . 79 ASP HA . 19240 1 963 . 1 1 79 79 ASP HB2 H 1 2.748 . . 1 . . . . 79 ASP HB2 . 19240 1 964 . 1 1 79 79 ASP HB3 H 1 2.657 . . 1 . . . . 79 ASP HB3 . 19240 1 965 . 1 1 79 79 ASP C C 13 176.402 . . 1 . . . . 79 ASP C . 19240 1 966 . 1 1 79 79 ASP CA C 13 55.127 . . 1 . . . . 79 ASP CA . 19240 1 967 . 1 1 79 79 ASP CB C 13 37.711 . . 1 . . . . 79 ASP CB . 19240 1 968 . 1 1 79 79 ASP N N 15 114.415 . . 1 . . . . 79 ASP N . 19240 1 969 . 1 1 80 80 TYR H H 1 8.063 . . 1 . . . . 80 TYR H . 19240 1 970 . 1 1 80 80 TYR HA H 1 4.338 . . 1 . . . . 80 TYR HA . 19240 1 971 . 1 1 80 80 TYR HB2 H 1 2.721 . . 1 . . . . 80 TYR HB2 . 19240 1 972 . 1 1 80 80 TYR HB3 H 1 2.888 . . 1 . . . . 80 TYR HB3 . 19240 1 973 . 1 1 80 80 TYR HD1 H 1 6.611 . . 1 . . . . 80 TYR HD1 . 19240 1 974 . 1 1 80 80 TYR HD2 H 1 6.611 . . 1 . . . . 80 TYR HD2 . 19240 1 975 . 1 1 80 80 TYR HE1 H 1 6.742 . . 1 . . . . 80 TYR HE1 . 19240 1 976 . 1 1 80 80 TYR HE2 H 1 6.742 . . 1 . . . . 80 TYR HE2 . 19240 1 977 . 1 1 80 80 TYR C C 13 173.129 . . 1 . . . . 80 TYR C . 19240 1 978 . 1 1 80 80 TYR CA C 13 57.673 . . 1 . . . . 80 TYR CA . 19240 1 979 . 1 1 80 80 TYR CB C 13 38.860 . . 1 . . . . 80 TYR CB . 19240 1 980 . 1 1 80 80 TYR CD1 C 13 130.618 . . 1 . . . . 80 TYR CD1 . 19240 1 981 . 1 1 80 80 TYR CD2 C 13 130.618 . . 1 . . . . 80 TYR CD2 . 19240 1 982 . 1 1 80 80 TYR CE1 C 13 118.732 . . 1 . . . . 80 TYR CE1 . 19240 1 983 . 1 1 80 80 TYR CE2 C 13 118.732 . . 1 . . . . 80 TYR CE2 . 19240 1 984 . 1 1 80 80 TYR N N 15 123.197 . . 1 . . . . 80 TYR N . 19240 1 985 . 1 1 81 81 ALA H H 1 7.787 . . 1 . . . . 81 ALA H . 19240 1 986 . 1 1 81 81 ALA HA H 1 4.350 . . 1 . . . . 81 ALA HA . 19240 1 987 . 1 1 81 81 ALA HB1 H 1 1.375 . . 1 . . . . 81 ALA HB1 . 19240 1 988 . 1 1 81 81 ALA HB2 H 1 1.375 . . 1 . . . . 81 ALA HB2 . 19240 1 989 . 1 1 81 81 ALA HB3 H 1 1.375 . . 1 . . . . 81 ALA HB3 . 19240 1 990 . 1 1 81 81 ALA C C 13 175.711 . . 1 . . . . 81 ALA C . 19240 1 991 . 1 1 81 81 ALA CA C 13 51.702 . . 1 . . . . 81 ALA CA . 19240 1 992 . 1 1 81 81 ALA CB C 13 19.378 . . 1 . . . . 81 ALA CB . 19240 1 993 . 1 1 81 81 ALA N N 15 125.424 . . 1 . . . . 81 ALA N . 19240 1 994 . 1 1 82 82 TYR H H 1 9.195 . . 1 . . . . 82 TYR H . 19240 1 995 . 1 1 82 82 TYR HA H 1 4.494 . . 1 . . . . 82 TYR HA . 19240 1 996 . 1 1 82 82 TYR HB2 H 1 2.617 . . 1 . . . . 82 TYR HB2 . 19240 1 997 . 1 1 82 82 TYR HB3 H 1 3.132 . . 1 . . . . 82 TYR HB3 . 19240 1 998 . 1 1 82 82 TYR HD1 H 1 7.008 . . 1 . . . . 82 TYR HD1 . 19240 1 999 . 1 1 82 82 TYR HD2 H 1 7.008 . . 1 . . . . 82 TYR HD2 . 19240 1 1000 . 1 1 82 82 TYR HE1 H 1 6.476 . . 1 . . . . 82 TYR HE1 . 19240 1 1001 . 1 1 82 82 TYR HE2 H 1 6.476 . . 1 . . . . 82 TYR HE2 . 19240 1 1002 . 1 1 82 82 TYR C C 13 176.498 . . 1 . . . . 82 TYR C . 19240 1 1003 . 1 1 82 82 TYR CA C 13 58.855 . . 1 . . . . 82 TYR CA . 19240 1 1004 . 1 1 82 82 TYR CB C 13 37.569 . . 1 . . . . 82 TYR CB . 19240 1 1005 . 1 1 82 82 TYR CD1 C 13 132.859 . . 1 . . . . 82 TYR CD1 . 19240 1 1006 . 1 1 82 82 TYR CD2 C 13 132.859 . . 1 . . . . 82 TYR CD2 . 19240 1 1007 . 1 1 82 82 TYR CE1 C 13 117.957 . . 1 . . . . 82 TYR CE1 . 19240 1 1008 . 1 1 82 82 TYR CE2 C 13 117.957 . . 1 . . . . 82 TYR CE2 . 19240 1 1009 . 1 1 82 82 TYR N N 15 121.991 . . 1 . . . . 82 TYR N . 19240 1 1010 . 1 1 83 83 GLY H H 1 8.546 . . 1 . . . . 83 GLY H . 19240 1 1011 . 1 1 83 83 GLY HA2 H 1 3.557 . . 1 . . . . 83 GLY HA2 . 19240 1 1012 . 1 1 83 83 GLY HA3 H 1 3.833 . . 1 . . . . 83 GLY HA3 . 19240 1 1013 . 1 1 83 83 GLY C C 13 174.969 . . 1 . . . . 83 GLY C . 19240 1 1014 . 1 1 83 83 GLY CA C 13 46.645 . . 1 . . . . 83 GLY CA . 19240 1 1015 . 1 1 83 83 GLY N N 15 108.368 . . 1 . . . . 83 GLY N . 19240 1 1016 . 1 1 84 84 ALA HA H 1 3.212 . . 1 . . . . 84 ALA HA . 19240 1 1017 . 1 1 84 84 ALA HB1 H 1 1.360 . . 1 . . . . 84 ALA HB1 . 19240 1 1018 . 1 1 84 84 ALA HB2 H 1 1.360 . . 1 . . . . 84 ALA HB2 . 19240 1 1019 . 1 1 84 84 ALA HB3 H 1 1.360 . . 1 . . . . 84 ALA HB3 . 19240 1 1020 . 1 1 84 84 ALA C C 13 177.435 . . 1 . . . . 84 ALA C . 19240 1 1021 . 1 1 84 84 ALA CA C 13 53.522 . . 1 . . . . 84 ALA CA . 19240 1 1022 . 1 1 84 84 ALA CB C 13 19.286 . . 1 . . . . 84 ALA CB . 19240 1 1023 . 1 1 85 85 THR H H 1 7.893 . . 1 . . . . 85 THR H . 19240 1 1024 . 1 1 85 85 THR HA H 1 3.976 . . 1 . . . . 85 THR HA . 19240 1 1025 . 1 1 85 85 THR HB H 1 4.181 . . 1 . . . . 85 THR HB . 19240 1 1026 . 1 1 85 85 THR HG21 H 1 1.160 . . 1 . . . . 85 THR HG21 . 19240 1 1027 . 1 1 85 85 THR HG22 H 1 1.160 . . 1 . . . . 85 THR HG22 . 19240 1 1028 . 1 1 85 85 THR HG23 H 1 1.160 . . 1 . . . . 85 THR HG23 . 19240 1 1029 . 1 1 85 85 THR C C 13 176.945 . . 1 . . . . 85 THR C . 19240 1 1030 . 1 1 85 85 THR CA C 13 64.002 . . 1 . . . . 85 THR CA . 19240 1 1031 . 1 1 85 85 THR CB C 13 69.368 . . 1 . . . . 85 THR CB . 19240 1 1032 . 1 1 85 85 THR CG2 C 13 21.793 . . 1 . . . . 85 THR CG2 . 19240 1 1033 . 1 1 85 85 THR N N 15 109.321 . . 1 . . . . 85 THR N . 19240 1 1034 . 1 1 86 86 GLY H H 1 7.278 . . 1 . . . . 86 GLY H . 19240 1 1035 . 1 1 86 86 GLY HA2 H 1 3.620 . . 1 . . . . 86 GLY HA2 . 19240 1 1036 . 1 1 86 86 GLY HA3 H 1 3.430 . . 1 . . . . 86 GLY HA3 . 19240 1 1037 . 1 1 86 86 GLY C C 13 171.499 . . 1 . . . . 86 GLY C . 19240 1 1038 . 1 1 86 86 GLY CA C 13 45.086 . . 1 . . . . 86 GLY CA . 19240 1 1039 . 1 1 86 86 GLY N N 15 106.827 . . 1 . . . . 86 GLY N . 19240 1 1040 . 1 1 87 87 HIS H H 1 8.732 . . 1 . . . . 87 HIS H . 19240 1 1041 . 1 1 87 87 HIS HA H 1 4.930 . . 1 . . . . 87 HIS HA . 19240 1 1042 . 1 1 87 87 HIS HB2 H 1 2.492 . . 1 . . . . 87 HIS HA . 19240 1 1043 . 1 1 87 87 HIS HE1 H 1 7.796 . . 1 . . . . 87 HIS HE1 . 19240 1 1044 . 1 1 87 87 HIS C C 13 172.330 . . 1 . . . . 87 HIS C . 19240 1 1045 . 1 1 87 87 HIS CA C 13 52.621 . . 1 . . . . 87 HIS CA . 19240 1 1046 . 1 1 87 87 HIS CB C 13 31.680 . . 1 . . . . 87 HIS CB . 19240 1 1047 . 1 1 87 87 HIS CE1 C 13 138.302 . . 1 . . . . 87 HIS CE1 . 19240 1 1048 . 1 1 87 87 HIS N N 15 121.653 . . 1 . . . . 87 HIS N . 19240 1 1049 . 1 1 88 88 PRO HA H 1 4.084 . . 1 . . . . 88 PRO HA . 19240 1 1050 . 1 1 88 88 PRO HB2 H 1 1.766 . . 1 . . . . 88 PRO HB2 . 19240 1 1051 . 1 1 88 88 PRO HB3 H 1 2.101 . . 1 . . . . 88 PRO HB3 . 19240 1 1052 . 1 1 88 88 PRO HG2 H 1 1.852 . . 1 . . . . 88 PRO HG2 . 19240 1 1053 . 1 1 88 88 PRO HG3 H 1 1.852 . . 1 . . . . 88 PRO HG3 . 19240 1 1054 . 1 1 88 88 PRO HD2 H 1 3.198 . . 1 . . . . 88 PRO HD2 . 19240 1 1055 . 1 1 88 88 PRO HD3 H 1 3.438 . . 1 . . . . 88 PRO HD3 . 19240 1 1056 . 1 1 88 88 PRO C C 13 176.115 . . 1 . . . . 88 PRO C . 19240 1 1057 . 1 1 88 88 PRO CA C 13 65.069 . . 1 . . . . 88 PRO CA . 19240 1 1058 . 1 1 88 88 PRO CB C 13 31.586 . . 1 . . . . 88 PRO CB . 19240 1 1059 . 1 1 88 88 PRO CG C 13 26.601 . . 1 . . . . 88 PRO CG . 19240 1 1060 . 1 1 88 88 PRO CD C 13 50.982 . . 1 . . . . 88 PRO CD . 19240 1 1061 . 1 1 89 89 GLY H H 1 8.519 . . 1 . . . . 89 GLY H . 19240 1 1062 . 1 1 89 89 GLY HA2 H 1 4.179 . . 1 . . . . 89 GLY HA2 . 19240 1 1063 . 1 1 89 89 GLY HA3 H 1 3.544 . . 1 . . . . 89 GLY HA3 . 19240 1 1064 . 1 1 89 89 GLY C C 13 173.752 . . 1 . . . . 89 GLY C . 19240 1 1065 . 1 1 89 89 GLY CA C 13 45.180 . . 1 . . . . 89 GLY CA . 19240 1 1066 . 1 1 89 89 GLY N N 15 113.486 . . 1 . . . . 89 GLY N . 19240 1 1067 . 1 1 90 90 ILE H H 1 8.047 . . 1 . . . . 90 ILE H . 19240 1 1068 . 1 1 90 90 ILE HA H 1 4.198 . . 1 . . . . 90 ILE HA . 19240 1 1069 . 1 1 90 90 ILE HB H 1 1.349 . . 1 . . . . 90 ILE HB . 19240 1 1070 . 1 1 90 90 ILE HG12 H 1 0.879 . . 1 . . . . 90 ILE HG12 . 19240 1 1071 . 1 1 90 90 ILE HG13 H 1 1.219 . . 1 . . . . 90 ILE HG13 . 19240 1 1072 . 1 1 90 90 ILE HG21 H 1 0.796 . . 1 . . . . 90 ILE HG21 . 19240 1 1073 . 1 1 90 90 ILE HG22 H 1 0.796 . . 1 . . . . 90 ILE HG22 . 19240 1 1074 . 1 1 90 90 ILE HG23 H 1 0.796 . . 1 . . . . 90 ILE HG23 . 19240 1 1075 . 1 1 90 90 ILE HD11 H 1 0.591 . . 1 . . . . 90 ILE HD11 . 19240 1 1076 . 1 1 90 90 ILE HD12 H 1 0.591 . . 1 . . . . 90 ILE HD12 . 19240 1 1077 . 1 1 90 90 ILE HD13 H 1 0.591 . . 1 . . . . 90 ILE HD13 . 19240 1 1078 . 1 1 90 90 ILE C C 13 174.272 . . 1 . . . . 90 ILE C . 19240 1 1079 . 1 1 90 90 ILE CA C 13 62.777 . . 1 . . . . 90 ILE CA . 19240 1 1080 . 1 1 90 90 ILE CB C 13 41.507 . . 1 . . . . 90 ILE CB . 19240 1 1081 . 1 1 90 90 ILE CG1 C 13 26.885 . . 1 . . . . 90 ILE CG1 . 19240 1 1082 . 1 1 90 90 ILE CG2 C 13 17.681 . . 1 . . . . 90 ILE CG2 . 19240 1 1083 . 1 1 90 90 ILE CD1 C 13 12.584 . . 1 . . . . 90 ILE CD1 . 19240 1 1084 . 1 1 90 90 ILE N N 15 118.011 . . 1 . . . . 90 ILE N . 19240 1 1085 . 1 1 91 91 ILE H H 1 8.186 . . 1 . . . . 91 ILE H . 19240 1 1086 . 1 1 91 91 ILE HA H 1 4.419 . . 1 . . . . 91 ILE HA . 19240 1 1087 . 1 1 91 91 ILE HB H 1 1.211 . . 1 . . . . 91 ILE HB . 19240 1 1088 . 1 1 91 91 ILE HG12 H 1 0.229 . . 1 . . . . 91 ILE HG12 . 19240 1 1089 . 1 1 91 91 ILE HG13 H 1 0.670 . . 1 . . . . 91 ILE HG13 . 19240 1 1090 . 1 1 91 91 ILE HG21 H 1 0.796 . . 1 . . . . 91 ILE HG21 . 19240 1 1091 . 1 1 91 91 ILE HG22 H 1 0.796 . . 1 . . . . 91 ILE HG22 . 19240 1 1092 . 1 1 91 91 ILE HG23 H 1 0.796 . . 1 . . . . 91 ILE HG23 . 19240 1 1093 . 1 1 91 91 ILE HD11 H 1 -0.218 . . 1 . . . . 91 ILE HD11 . 19240 1 1094 . 1 1 91 91 ILE HD12 H 1 -0.218 . . 1 . . . . 91 ILE HD12 . 19240 1 1095 . 1 1 91 91 ILE HD13 H 1 -0.218 . . 1 . . . . 91 ILE HD13 . 19240 1 1096 . 1 1 91 91 ILE C C 13 174.157 . . 1 . . . . 91 ILE C . 19240 1 1097 . 1 1 91 91 ILE CA C 13 56.559 . . 1 . . . . 91 ILE CA . 19240 1 1098 . 1 1 91 91 ILE CB C 13 40.807 . . 1 . . . . 91 ILE CB . 19240 1 1099 . 1 1 91 91 ILE CG1 C 13 26.024 . . 1 . . . . 91 ILE CG1 . 19240 1 1100 . 1 1 91 91 ILE CG2 C 13 17.681 . . 1 . . . . 91 ILE CG2 . 19240 1 1101 . 1 1 91 91 ILE CD1 C 13 11.896 . . 1 . . . . 91 ILE CD1 . 19240 1 1102 . 1 1 91 91 ILE N N 15 119.489 . . 1 . . . . 91 ILE N . 19240 1 1103 . 1 1 92 92 PRO HG2 H 1 1.886 . . 1 . . . . 92 PRO HG2 . 19240 1 1104 . 1 1 92 92 PRO HG3 H 1 1.886 . . 1 . . . . 92 PRO HG3 . 19240 1 1105 . 1 1 92 92 PRO HD2 H 1 3.292 . . 1 . . . . 92 PRO HD2 . 19240 1 1106 . 1 1 92 92 PRO HD3 H 1 3.671 . . 1 . . . . 92 PRO HD3 . 19240 1 1107 . 1 1 92 92 PRO CA C 13 61.646 . . 1 . . . . 92 PRO CA . 19240 1 1108 . 1 1 92 92 PRO CB C 13 30.840 . . 1 . . . . 92 PRO CB . 19240 1 1109 . 1 1 92 92 PRO CG C 13 26.596 . . 1 . . . . 92 PRO CG . 19240 1 1110 . 1 1 92 92 PRO CD C 13 51.700 . . 1 . . . . 92 PRO CD . 19240 1 1111 . 1 1 93 93 PRO HA H 1 3.576 . . 1 . . . . 93 PRO HA . 19240 1 1112 . 1 1 93 93 PRO HB2 H 1 1.479 . . 1 . . . . 93 PRO HB2 . 19240 1 1113 . 1 1 93 93 PRO HB3 H 1 2.152 . . 1 . . . . 93 PRO HB3 . 19240 1 1114 . 1 1 93 93 PRO HG2 H 1 1.639 . . 1 . . . . 93 PRO HG2 . 19240 1 1115 . 1 1 93 93 PRO HG3 H 1 1.951 . . 1 . . . . 93 PRO HG3 . 19240 1 1116 . 1 1 93 93 PRO HD2 H 1 3.390 . . 1 . . . . 93 PRO HD2 . 19240 1 1117 . 1 1 93 93 PRO HD3 H 1 3.703 . . 1 . . . . 93 PRO HD3 . 19240 1 1118 . 1 1 93 93 PRO C C 13 175.585 . . 1 . . . . 93 PRO C . 19240 1 1119 . 1 1 93 93 PRO CA C 13 63.497 . . 1 . . . . 93 PRO CA . 19240 1 1120 . 1 1 93 93 PRO CB C 13 32.855 . . 1 . . . . 93 PRO CB . 19240 1 1121 . 1 1 93 93 PRO CG C 13 27.738 . . 1 . . . . 93 PRO CG . 19240 1 1122 . 1 1 93 93 PRO CD C 13 50.767 . . 1 . . . . 93 PRO CD . 19240 1 1123 . 1 1 94 94 HIS H H 1 7.898 . . 1 . . . . 94 HIS H . 19240 1 1124 . 1 1 94 94 HIS HA H 1 3.755 . . 1 . . . . 94 HIS HA . 19240 1 1125 . 1 1 94 94 HIS HB2 H 1 3.115 . . 1 . . . . 94 HIS HB2 . 19240 1 1126 . 1 1 94 94 HIS HB3 H 1 3.151 . . 1 . . . . 94 HIS HB3 . 19240 1 1127 . 1 1 94 94 HIS HD2 H 1 6.889 . . 1 . . . . 94 HIS HD2 . 19240 1 1128 . 1 1 94 94 HIS HE1 H 1 7.796 . . 1 . . . . 94 HIS HE1 . 19240 1 1129 . 1 1 94 94 HIS C C 13 173.566 . . 1 . . . . 94 HIS C . 19240 1 1130 . 1 1 94 94 HIS CA C 13 56.998 . . 1 . . . . 94 HIS CA . 19240 1 1131 . 1 1 94 94 HIS CB C 13 27.968 . . 1 . . . . 94 HIS CB . 19240 1 1132 . 1 1 94 94 HIS CD2 C 13 119.647 . . 1 . . . . 94 HIS CD2 . 19240 1 1133 . 1 1 94 94 HIS CE1 C 13 138.302 . . 1 . . . . 94 HIS CE1 . 19240 1 1134 . 1 1 94 94 HIS N N 15 115.741 . . 1 . . . . 94 HIS N . 19240 1 1135 . 1 1 95 95 ALA H H 1 7.654 . . 1 . . . . 95 ALA H . 19240 1 1136 . 1 1 95 95 ALA HA H 1 4.414 . . 1 . . . . 95 ALA HA . 19240 1 1137 . 1 1 95 95 ALA HB1 H 1 1.193 . . 1 . . . . 95 ALA HB1 . 19240 1 1138 . 1 1 95 95 ALA HB2 H 1 1.193 . . 1 . . . . 95 ALA HB2 . 19240 1 1139 . 1 1 95 95 ALA HB3 H 1 1.193 . . 1 . . . . 95 ALA HB3 . 19240 1 1140 . 1 1 95 95 ALA C C 13 177.121 . . 1 . . . . 95 ALA C . 19240 1 1141 . 1 1 95 95 ALA CA C 13 52.613 . . 1 . . . . 95 ALA CA . 19240 1 1142 . 1 1 95 95 ALA CB C 13 20.539 . . 1 . . . . 95 ALA CB . 19240 1 1143 . 1 1 95 95 ALA N N 15 121.864 . . 1 . . . . 95 ALA N . 19240 1 1144 . 1 1 96 96 THR H H 1 8.431 . . 1 . . . . 96 THR H . 19240 1 1145 . 1 1 96 96 THR HA H 1 4.554 . . 1 . . . . 96 THR HA . 19240 1 1146 . 1 1 96 96 THR HB H 1 3.899 . . 1 . . . . 96 THR HB . 19240 1 1147 . 1 1 96 96 THR HG21 H 1 0.968 . . 1 . . . . 96 THR HG21 . 19240 1 1148 . 1 1 96 96 THR HG22 H 1 0.968 . . 1 . . . . 96 THR HG22 . 19240 1 1149 . 1 1 96 96 THR HG23 H 1 0.968 . . 1 . . . . 96 THR HG23 . 19240 1 1150 . 1 1 96 96 THR C C 13 173.585 . . 1 . . . . 96 THR C . 19240 1 1151 . 1 1 96 96 THR CA C 13 63.718 . . 1 . . . . 96 THR CA . 19240 1 1152 . 1 1 96 96 THR CB C 13 69.512 . . 1 . . . . 96 THR CB . 19240 1 1153 . 1 1 96 96 THR CG2 C 13 20.875 . . 1 . . . . 96 THR CG2 . 19240 1 1154 . 1 1 96 96 THR N N 15 123.977 . . 1 . . . . 96 THR N . 19240 1 1155 . 1 1 97 97 LEU H H 1 8.637 . . 1 . . . . 97 LEU H . 19240 1 1156 . 1 1 97 97 LEU HA H 1 5.058 . . 1 . . . . 97 LEU HA . 19240 1 1157 . 1 1 97 97 LEU HB2 H 1 1.463 . . 1 . . . . 97 LEU HB2 . 19240 1 1158 . 1 1 97 97 LEU HB3 H 1 1.693 . . 1 . . . . 97 LEU HB3 . 19240 1 1159 . 1 1 97 97 LEU HG H 1 1.767 . . 1 . . . . 97 LEU HG . 19240 1 1160 . 1 1 97 97 LEU HD11 H 1 0.748 . . 1 . . . . 97 LEU HD11 . 19240 1 1161 . 1 1 97 97 LEU HD12 H 1 0.748 . . 1 . . . . 97 LEU HD12 . 19240 1 1162 . 1 1 97 97 LEU HD13 H 1 0.748 . . 1 . . . . 97 LEU HD13 . 19240 1 1163 . 1 1 97 97 LEU HD21 H 1 1.158 . . 1 . . . . 97 LEU HD21 . 19240 1 1164 . 1 1 97 97 LEU HD22 H 1 1.158 . . 1 . . . . 97 LEU HD22 . 19240 1 1165 . 1 1 97 97 LEU HD23 H 1 1.158 . . 1 . . . . 97 LEU HD23 . 19240 1 1166 . 1 1 97 97 LEU C C 13 174.829 . . 1 . . . . 97 LEU C . 19240 1 1167 . 1 1 97 97 LEU CA C 13 52.810 . . 1 . . . . 97 LEU CA . 19240 1 1168 . 1 1 97 97 LEU CB C 13 46.469 . . 1 . . . . 97 LEU CB . 19240 1 1169 . 1 1 97 97 LEU CG C 13 26.991 . . 1 . . . . 97 LEU CG . 19240 1 1170 . 1 1 97 97 LEU CD1 C 13 23.600 . . 1 . . . . 97 LEU CD1 . 19240 1 1171 . 1 1 97 97 LEU CD2 C 13 26.991 . . 1 . . . . 97 LEU CD2 . 19240 1 1172 . 1 1 97 97 LEU N N 15 124.657 . . 1 . . . . 97 LEU N . 19240 1 1173 . 1 1 98 98 VAL H H 1 8.657 . . 1 . . . . 98 VAL H . 19240 1 1174 . 1 1 98 98 VAL HA H 1 5.185 . . 1 . . . . 98 VAL HA . 19240 1 1175 . 1 1 98 98 VAL HB H 1 1.682 . . 1 . . . . 98 VAL HB . 19240 1 1176 . 1 1 98 98 VAL HG11 H 1 0.744 . . 1 . . . . 98 VAL HG11 . 19240 1 1177 . 1 1 98 98 VAL HG12 H 1 0.744 . . 1 . . . . 98 VAL HG12 . 19240 1 1178 . 1 1 98 98 VAL HG13 H 1 0.744 . . 1 . . . . 98 VAL HG13 . 19240 1 1179 . 1 1 98 98 VAL HG21 H 1 0.831 . . 1 . . . . 98 VAL HG21 . 19240 1 1180 . 1 1 98 98 VAL HG22 H 1 0.831 . . 1 . . . . 98 VAL HG22 . 19240 1 1181 . 1 1 98 98 VAL HG23 H 1 0.831 . . 1 . . . . 98 VAL HG23 . 19240 1 1182 . 1 1 98 98 VAL C C 13 175.008 . . 1 . . . . 98 VAL C . 19240 1 1183 . 1 1 98 98 VAL CA C 13 60.606 . . 1 . . . . 98 VAL CA . 19240 1 1184 . 1 1 98 98 VAL CB C 13 34.035 . . 1 . . . . 98 VAL CB . 19240 1 1185 . 1 1 98 98 VAL CG1 C 13 21.150 . . 1 . . . . 98 VAL CG1 . 19240 1 1186 . 1 1 98 98 VAL CG2 C 13 20.852 . . 1 . . . . 98 VAL CG2 . 19240 1 1187 . 1 1 98 98 VAL N N 15 121.211 . . 1 . . . . 98 VAL N . 19240 1 1188 . 1 1 99 99 PHE H H 1 9.640 . . 1 . . . . 99 PHE H . 19240 1 1189 . 1 1 99 99 PHE HA H 1 5.721 . . 1 . . . . 99 PHE HA . 19240 1 1190 . 1 1 99 99 PHE HB2 H 1 2.698 . . 1 . . . . 99 PHE HB2 . 19240 1 1191 . 1 1 99 99 PHE HB3 H 1 2.621 . . 1 . . . . 99 PHE HB3 . 19240 1 1192 . 1 1 99 99 PHE HD1 H 1 6.994 . . 1 . . . . 99 PHE HD1 . 19240 1 1193 . 1 1 99 99 PHE HD2 H 1 6.994 . . 1 . . . . 99 PHE HD2 . 19240 1 1194 . 1 1 99 99 PHE HE1 H 1 7.141 . . 1 . . . . 99 PHE HE1 . 19240 1 1195 . 1 1 99 99 PHE HE2 H 1 7.141 . . 1 . . . . 99 PHE HE2 . 19240 1 1196 . 1 1 99 99 PHE HZ H 1 7.545 . . 1 . . . . 99 PHE HZ . 19240 1 1197 . 1 1 99 99 PHE C C 13 174.049 . . 1 . . . . 99 PHE C . 19240 1 1198 . 1 1 99 99 PHE CA C 13 55.122 . . 1 . . . . 99 PHE CA . 19240 1 1199 . 1 1 99 99 PHE CB C 13 43.179 . . 1 . . . . 99 PHE CB . 19240 1 1200 . 1 1 99 99 PHE CD1 C 13 131.430 . . 1 . . . . 99 PHE CD1 . 19240 1 1201 . 1 1 99 99 PHE CD2 C 13 131.430 . . 1 . . . . 99 PHE CD2 . 19240 1 1202 . 1 1 99 99 PHE CE1 C 13 132.018 . . 1 . . . . 99 PHE CE1 . 19240 1 1203 . 1 1 99 99 PHE CE2 C 13 132.018 . . 1 . . . . 99 PHE CE2 . 19240 1 1204 . 1 1 99 99 PHE CZ C 13 130.698 . . 1 . . . . 99 PHE CZ . 19240 1 1205 . 1 1 99 99 PHE N N 15 123.247 . . 1 . . . . 99 PHE N . 19240 1 1206 . 1 1 100 100 ASP H H 1 8.730 . . 1 . . . . 100 ASP H . 19240 1 1207 . 1 1 100 100 ASP HA H 1 5.095 . . 1 . . . . 100 ASP HA . 19240 1 1208 . 1 1 100 100 ASP HB2 H 1 2.387 . . 1 . . . . 100 ASP HB2 . 19240 1 1209 . 1 1 100 100 ASP HB3 H 1 2.760 . . 1 . . . . 100 ASP HB3 . 19240 1 1210 . 1 1 100 100 ASP C C 13 176.700 . . 1 . . . . 100 ASP C . 19240 1 1211 . 1 1 100 100 ASP CA C 13 52.725 . . 1 . . . . 100 ASP CA . 19240 1 1212 . 1 1 100 100 ASP CB C 13 41.940 . . 1 . . . . 100 ASP CB . 19240 1 1213 . 1 1 100 100 ASP N N 15 124.300 . . 1 . . . . 100 ASP N . 19240 1 1214 . 1 1 101 101 VAL H H 1 9.471 . . 1 . . . . 101 VAL H . 19240 1 1215 . 1 1 101 101 VAL HA H 1 4.968 . . 1 . . . . 101 VAL HA . 19240 1 1216 . 1 1 101 101 VAL HB H 1 1.700 . . 1 . . . . 101 VAL HB . 19240 1 1217 . 1 1 101 101 VAL HG11 H 1 0.612 . . 1 . . . . 101 VAL HG11 . 19240 1 1218 . 1 1 101 101 VAL HG12 H 1 0.612 . . 1 . . . . 101 VAL HG12 . 19240 1 1219 . 1 1 101 101 VAL HG13 H 1 0.612 . . 1 . . . . 101 VAL HG13 . 19240 1 1220 . 1 1 101 101 VAL HG21 H 1 0.650 . . 1 . . . . 101 VAL HG21 . 19240 1 1221 . 1 1 101 101 VAL HG22 H 1 0.650 . . 1 . . . . 101 VAL HG22 . 19240 1 1222 . 1 1 101 101 VAL HG23 H 1 0.650 . . 1 . . . . 101 VAL HG23 . 19240 1 1223 . 1 1 101 101 VAL C C 13 172.409 . . 1 . . . . 101 VAL C . 19240 1 1224 . 1 1 101 101 VAL CA C 13 61.058 . . 1 . . . . 101 VAL CA . 19240 1 1225 . 1 1 101 101 VAL CB C 13 35.109 . . 1 . . . . 101 VAL CB . 19240 1 1226 . 1 1 101 101 VAL CG1 C 13 22.561 . . 1 . . . . 101 VAL CG1 . 19240 1 1227 . 1 1 101 101 VAL CG2 C 13 21.031 . . 1 . . . . 101 VAL CG2 . 19240 1 1228 . 1 1 101 101 VAL N N 15 126.301 . . 1 . . . . 101 VAL N . 19240 1 1229 . 1 1 102 102 GLU H H 1 9.224 . . 1 . . . . 102 GLU H . 19240 1 1230 . 1 1 102 102 GLU HA H 1 5.334 . . 1 . . . . 102 GLU HA . 19240 1 1231 . 1 1 102 102 GLU HB2 H 1 1.543 . . 1 . . . . 102 GLU HB2 . 19240 1 1232 . 1 1 102 102 GLU HB3 H 1 1.975 . . 1 . . . . 102 GLU HB3 . 19240 1 1233 . 1 1 102 102 GLU HG2 H 1 1.815 . . 1 . . . . 102 GLU HG2 . 19240 1 1234 . 1 1 102 102 GLU HG3 H 1 1.815 . . 1 . . . . 102 GLU HG3 . 19240 1 1235 . 1 1 102 102 GLU C C 13 174.986 . . 1 . . . . 102 GLU C . 19240 1 1236 . 1 1 102 102 GLU CA C 13 53.911 . . 1 . . . . 102 GLU CA . 19240 1 1237 . 1 1 102 102 GLU CB C 13 33.527 . . 1 . . . . 102 GLU CB . 19240 1 1238 . 1 1 102 102 GLU CG C 13 35.608 . . 1 . . . . 102 GLU CG . 19240 1 1239 . 1 1 102 102 GLU N N 15 128.307 . . 1 . . . . 102 GLU N . 19240 1 1240 . 1 1 103 103 LEU H H 1 8.561 . . 1 . . . . 103 LEU H . 19240 1 1241 . 1 1 103 103 LEU HA H 1 4.608 . . 1 . . . . 103 LEU HA . 19240 1 1242 . 1 1 103 103 LEU HB2 H 1 0.973 . . 1 . . . . 103 LEU HB2 . 19240 1 1243 . 1 1 103 103 LEU HB3 H 1 2.156 . . 1 . . . . 103 LEU HB3 . 19240 1 1244 . 1 1 103 103 LEU HG H 1 1.210 . . 1 . . . . 103 LEU HG . 19240 1 1245 . 1 1 103 103 LEU HD11 H 1 0.709 . . 1 . . . . 103 LEU HD11 . 19240 1 1246 . 1 1 103 103 LEU HD12 H 1 0.709 . . 1 . . . . 103 LEU HD12 . 19240 1 1247 . 1 1 103 103 LEU HD13 H 1 0.709 . . 1 . . . . 103 LEU HD13 . 19240 1 1248 . 1 1 103 103 LEU HD21 H 1 0.573 . . 1 . . . . 103 LEU HD21 . 19240 1 1249 . 1 1 103 103 LEU HD22 H 1 0.573 . . 1 . . . . 103 LEU HD22 . 19240 1 1250 . 1 1 103 103 LEU HD23 H 1 0.573 . . 1 . . . . 103 LEU HD23 . 19240 1 1251 . 1 1 103 103 LEU C C 13 174.076 . . 1 . . . . 103 LEU C . 19240 1 1252 . 1 1 103 103 LEU CA C 13 53.897 . . 1 . . . . 103 LEU CA . 19240 1 1253 . 1 1 103 103 LEU CB C 13 41.366 . . 1 . . . . 103 LEU CB . 19240 1 1254 . 1 1 103 103 LEU CG C 13 28.205 . . 1 . . . . 103 LEU CG . 19240 1 1255 . 1 1 103 103 LEU CD1 C 13 23.101 . . 1 . . . . 103 LEU CD1 . 19240 1 1256 . 1 1 103 103 LEU CD2 C 13 26.014 . . 1 . . . . 103 LEU CD2 . 19240 1 1257 . 1 1 103 103 LEU N N 15 128.227 . . 1 . . . . 103 LEU N . 19240 1 1258 . 1 1 104 104 LEU H H 1 8.967 . . 1 . . . . 104 LEU H . 19240 1 1259 . 1 1 104 104 LEU HA H 1 4.122 . . 1 . . . . 104 LEU HA . 19240 1 1260 . 1 1 104 104 LEU HB2 H 1 1.379 . . 1 . . . . 104 LEU HB2 . 19240 1 1261 . 1 1 104 104 LEU HB3 H 1 1.411 . . 1 . . . . 104 LEU HB3 . 19240 1 1262 . 1 1 104 104 LEU HG H 1 1.636 . . 1 . . . . 104 LEU HG . 19240 1 1263 . 1 1 104 104 LEU HD11 H 1 0.609 . . 1 . . . . 104 LEU HD11 . 19240 1 1264 . 1 1 104 104 LEU HD12 H 1 0.609 . . 1 . . . . 104 LEU HD12 . 19240 1 1265 . 1 1 104 104 LEU HD13 H 1 0.609 . . 1 . . . . 104 LEU HD13 . 19240 1 1266 . 1 1 104 104 LEU HD21 H 1 0.746 . . 1 . . . . 104 LEU HD21 . 19240 1 1267 . 1 1 104 104 LEU HD22 H 1 0.746 . . 1 . . . . 104 LEU HD22 . 19240 1 1268 . 1 1 104 104 LEU HD23 H 1 0.746 . . 1 . . . . 104 LEU HD23 . 19240 1 1269 . 1 1 104 104 LEU C C 13 177.774 . . 1 . . . . 104 LEU C . 19240 1 1270 . 1 1 104 104 LEU CA C 13 57.195 . . 1 . . . . 104 LEU CA . 19240 1 1271 . 1 1 104 104 LEU CB C 13 42.871 . . 1 . . . . 104 LEU CB . 19240 1 1272 . 1 1 104 104 LEU CG C 13 26.856 . . 1 . . . . 104 LEU CG . 19240 1 1273 . 1 1 104 104 LEU CD1 C 13 26.165 . . 1 . . . . 104 LEU CD1 . 19240 1 1274 . 1 1 104 104 LEU CD2 C 13 22.378 . . 1 . . . . 104 LEU CD2 . 19240 1 1275 . 1 1 104 104 LEU N N 15 128.654 . . 1 . . . . 104 LEU N . 19240 1 1276 . 1 1 105 105 LYS H H 1 7.581 . . 1 . . . . 105 LYS H . 19240 1 1277 . 1 1 105 105 LYS HA H 1 4.259 . . 1 . . . . 105 LYS HA . 19240 1 1278 . 1 1 105 105 LYS HB2 H 1 1.610 . . 1 . . . . 105 LYS HB2 . 19240 1 1279 . 1 1 105 105 LYS HB3 H 1 1.692 . . 1 . . . . 105 LYS HB3 . 19240 1 1280 . 1 1 105 105 LYS HG2 H 1 1.147 . . 1 . . . . 105 LYS HG2 . 19240 1 1281 . 1 1 105 105 LYS HG3 H 1 1.077 . . 1 . . . . 105 LYS HG3 . 19240 1 1282 . 1 1 105 105 LYS HD2 H 1 1.496 . . 1 . . . . 105 LYS HD2 . 19240 1 1283 . 1 1 105 105 LYS HD3 H 1 1.496 . . 1 . . . . 105 LYS HD3 . 19240 1 1284 . 1 1 105 105 LYS HE2 H 1 2.789 . . 1 . . . . 105 LYS HE2 . 19240 1 1285 . 1 1 105 105 LYS HE3 H 1 2.849 . . 1 . . . . 105 LYS HE3 . 19240 1 1286 . 1 1 105 105 LYS C C 13 175.010 . . 1 . . . . 105 LYS C . 19240 1 1287 . 1 1 105 105 LYS CA C 13 55.423 . . 1 . . . . 105 LYS CA . 19240 1 1288 . 1 1 105 105 LYS CB C 13 34.919 . . 1 . . . . 105 LYS CB . 19240 1 1289 . 1 1 105 105 LYS CG C 13 23.927 . . 1 . . . . 105 LYS CG . 19240 1 1290 . 1 1 105 105 LYS CD C 13 29.208 . . 1 . . . . 105 LYS CD . 19240 1 1291 . 1 1 105 105 LYS CE C 13 41.897 . . 1 . . . . 105 LYS CE . 19240 1 1292 . 1 1 105 105 LYS N N 15 112.127 . . 1 . . . . 105 LYS N . 19240 1 1293 . 1 1 106 106 LEU H H 1 8.155 . . 1 . . . . 106 LEU H . 19240 1 1294 . 1 1 106 106 LEU HA H 1 5.162 . . 1 . . . . 106 LEU HA . 19240 1 1295 . 1 1 106 106 LEU HB2 H 1 1.101 . . 1 . . . . 106 LEU HB2 . 19240 1 1296 . 1 1 106 106 LEU HB3 H 1 1.466 . . 1 . . . . 106 LEU HB3 . 19240 1 1297 . 1 1 106 106 LEU HG H 1 1.261 . . 1 . . . . 106 LEU HG . 19240 1 1298 . 1 1 106 106 LEU HD11 H 1 0.777 . . 1 . . . . 106 LEU HD11 . 19240 1 1299 . 1 1 106 106 LEU HD12 H 1 0.777 . . 1 . . . . 106 LEU HD12 . 19240 1 1300 . 1 1 106 106 LEU HD13 H 1 0.777 . . 1 . . . . 106 LEU HD13 . 19240 1 1301 . 1 1 106 106 LEU HD21 H 1 0.569 . . 1 . . . . 106 LEU HD21 . 19240 1 1302 . 1 1 106 106 LEU HD22 H 1 0.569 . . 1 . . . . 106 LEU HD22 . 19240 1 1303 . 1 1 106 106 LEU HD23 H 1 0.569 . . 1 . . . . 106 LEU HD23 . 19240 1 1304 . 1 1 106 106 LEU C C 13 175.828 . . 1 . . . . 106 LEU C . 19240 1 1305 . 1 1 106 106 LEU CA C 13 53.074 . . 1 . . . . 106 LEU CA . 19240 1 1306 . 1 1 106 106 LEU CB C 13 44.248 . . 1 . . . . 106 LEU CB . 19240 1 1307 . 1 1 106 106 LEU CG C 13 25.683 . . 1 . . . . 106 LEU CG . 19240 1 1308 . 1 1 106 106 LEU CD1 C 13 25.644 . . 1 . . . . 106 LEU CD1 . 19240 1 1309 . 1 1 106 106 LEU CD2 C 13 25.684 . . 1 . . . . 106 LEU CD2 . 19240 1 1310 . 1 1 106 106 LEU N N 15 120.474 . . 1 . . . . 106 LEU N . 19240 1 1311 . 1 1 107 107 GLU H H 1 8.924 . . 1 . . . . 107 GLU H . 19240 1 1312 . 1 1 107 107 GLU HA H 1 4.229 . . 1 . . . . 107 GLU HA . 19240 1 1313 . 1 1 107 107 GLU HB2 H 1 1.586 . . 1 . . . . 107 GLU HB2 . 19240 1 1314 . 1 1 107 107 GLU HB3 H 1 1.919 . . 1 . . . . 107 GLU HB3 . 19240 1 1315 . 1 1 107 107 GLU HG2 H 1 1.803 . . 1 . . . . 107 GLU HG2 . 19240 1 1316 . 1 1 107 107 GLU HG3 H 1 1.876 . . 1 . . . . 107 GLU HG3 . 19240 1 1317 . 1 1 107 107 GLU C C 13 180.442 . . 1 . . . . 107 GLU C . 19240 1 1318 . 1 1 107 107 GLU CA C 13 56.514 . . 1 . . . . 107 GLU CA . 19240 1 1319 . 1 1 107 107 GLU CB C 13 32.217 . . 1 . . . . 107 GLU CB . 19240 1 1320 . 1 1 107 107 GLU CG C 13 36.557 . . 1 . . . . 107 GLU CG . 19240 1 1321 . 1 1 107 107 GLU N N 15 126.905 . . 1 . . . . 107 GLU N . 19240 1 stop_ save_