data_11471 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11471 _Entry.Title ; NMR structure of FKBP12-mTOR FRB domain-rapamycin complex structure determined based on PCS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-24 _Entry.Accession_date 2012-01-25 _Entry.Last_release_date 2012-06-01 _Entry.Original_release_date 2012-06-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'PCS-based rigid body docking structure' _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 Yoshihiro Kobashigawa . . . 11471 2 Masahiro Ushio . . . 11471 3 Tomohide Saio . . . 11471 4 Fuyuhiko Inagaki . . . 11471 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11471 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID FK506 . 11471 FKBP12 . 11471 lanthanide . 11471 PCS . 11471 rapamycin . 11471 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11471 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 535 11471 '15N chemical shifts' 190 11471 '1H chemical shifts' 755 11471 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-06-01 2012-01-24 original author . 11471 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RSE 'BMRB Entry Tracking System' 11471 stop_ save_ ############### # Citations # ############### save_Citation1 _Citation.Sf_category citations _Citation.Sf_framecode Citation1 _Citation.Entry_ID 11471 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22487935 _Citation.Full_citation . _Citation.Title 'Convenient method for resolving degeneracies due to symmetry of the magnetic susceptibility tensor and its application to pseudo contact shift-based protein-protein complex structure determination' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 53 _Citation.Journal_issue . _Citation.Journal_ASTM JBNME9 _Citation.Journal_ISSN 0925-2738 _Citation.Journal_CSD 0800 _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 53 _Citation.Page_last 63 _Citation.Year 2012 _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 Yoshihiro Kobashigawa . . . 11471 1 2 Tomohide Saio . . . 11471 1 3 Masahiro Ushio . . . 11471 1 4 Fuyuhiko Inagaki . . . 11471 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11471 _Assembly.ID 1 _Assembly.Name 'FKBP12-mTOR FRB domain-rapamycin complex structure' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 11471 1 2 entity_2 2 $entity_2 B . yes native no no . . . 11471 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11471 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; 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 . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11836.611 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16925 . FKBP12 . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 2 no BMRB 16931 . FKBP12 . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 3 no BMRB 16933 . FKBP12 . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 4 no BMRB 19240 . FKBP12 . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 5 no BMRB 19241 . FKBP12 . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 6 no PDB 1A7X . "Fkbp12-Fk1012 Complex" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 7 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 . . . . 11471 1 8 no PDB 1BKF . "Fk506 Binding Protein Fkbp Mutant R42kH87V COMPLEX WITH Immunosuppressant Fk506" . . . . . 100.00 107 98.13 99.07 3.53e-70 . . . . 11471 1 9 no PDB 1BL4 . "Fkbp Mutant F36v Complexed With Remodeled Synthetic Ligand" . . . . . 100.00 107 99.07 99.07 3.23e-71 . . . . 11471 1 10 no PDB 1D6O . "Native Fkbp" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 11 no PDB 1D7H . "Fkbp Complexed With Dmso" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 12 no PDB 1D7I . "Fkbp Complexed With Methyl Methylsulfinylmethyl Sulfide (Dss)" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 13 no PDB 1D7J . "Fkbp Complexed With 4-Hydroxy-2-Butanone" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 14 no PDB 1EYM . "Fk506 Binding Protein Mutant, Homodimeric Complex" . . . . . 100.00 107 99.07 99.07 2.46e-71 . . . . 11471 1 15 no PDB 1F40 . "Solution Structure Of Fkbp12 Complexed With Gpi-1046, A Neurotrophic Ligand" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 16 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 . . . . 11471 1 17 no PDB 1FKB . "Atomic Structure Of The Rapamycin Human Immunophilin Fkbp- 12 Complex" . . . . . 99.07 107 100.00 100.00 1.52e-71 . . . . 11471 1 18 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 . . . . 11471 1 19 no PDB 1FKF . "Atomic Structure Of Fkbp-Fk506, An Immunophilin-Immunosuppressant Complex" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 20 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 . . . . 11471 1 21 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 . . . . 11471 1 22 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 . . . . 11471 1 23 no PDB 1FKJ . "Atomic Structure Of Fkbp12-Fk506, An Immunophilin Immunosuppressant Complex" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 24 no PDB 1FKK . "Atomic Structure Of Fkbp12, An Immunophilin Binding Protein" . . . . . 100.00 107 97.20 100.00 1.87e-70 . . . . 11471 1 25 no PDB 1FKL . "Atomic Structure Of Fkbp12-Rapaymycin, An Immunophilin- Immunosuppressant Complex" . . . . . 100.00 107 97.20 100.00 1.87e-70 . . . . 11471 1 26 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 . . . . 11471 1 27 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 . . . . 11471 1 28 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 . . . . 11471 1 29 no PDB 1J4H . "Crystal Structure Analysis Of The Fkbp12 Complexed With 000107 Small Molecule" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 30 no PDB 1J4I . "Crystal Structure Analysis Of The Fkbp12 Complexed With 000308 Small Molecule" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 31 no PDB 1J4R . "Fk506 Binding Protein Complexed With Fkb-001" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 32 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 . . . . 11471 1 33 no PDB 1QPF . "Fk506 Binding Protein (12 Kda, Human) Complex With L-709,858" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 34 no PDB 1QPL . "Fk506 Binding Protein (12 Kda, Human) Complex With L-707,587" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 35 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 . . . . 11471 1 36 no PDB 2DG3 . "Wildtype Fk506-Binding Protein Complexed With Rapamycin" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 37 no PDB 2DG4 . "Fk506-Binding Protein Mutant Wf59 Complexed With Rapamycin" . . . . . 100.00 107 99.07 100.00 4.16e-71 . . . . 11471 1 38 no PDB 2DG9 . "Fk506-Binding Protein Mutant Wl59 Complexed With Rapamycin" . . . . . 100.00 107 99.07 99.07 7.66e-71 . . . . 11471 1 39 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 . . . . 11471 1 40 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 . . . . 11471 1 41 no PDB 2PPN . "Crystal Structure Of Fkbp12" . . . . . 100.00 107 100.00 100.00 3.27e-72 . . . . 11471 1 42 no PDB 2PPO . "Crystal Structure Of E60a Mutant Of Fkbp12" . . . . . 100.00 107 99.07 99.07 1.68e-71 . . . . 11471 1 43 no PDB 2PPP . "Crystal Structure Of E60q Mutant Of Fkbp12" . . . . . 100.00 107 99.07 100.00 9.42e-72 . . . . 11471 1 44 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 . . . . 11471 1 45 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 . . . . 11471 1 46 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 . . . . 11471 1 47 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 . . . . 11471 1 48 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 . . . . 11471 1 49 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 . . . . 11471 1 50 no PDB 4IPX . "Analyzing The Visible Conformational Substates Of The Fk506 Binding Protein Fkbp12" . . . . . 100.00 107 98.13 98.13 2.13e-69 . . . . 11471 1 51 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 . . . . 11471 1 52 no DBJ BAB22351 . "unnamed protein product [Mus musculus]" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 11471 1 53 no DBJ BAB27125 . "unnamed protein product [Mus musculus]" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 11471 1 54 no DBJ BAB31680 . "unnamed protein product [Mus musculus]" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 11471 1 55 no DBJ BAE32804 . "unnamed protein product [Mus musculus]" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 11471 1 56 no DBJ BAE40271 . "unnamed protein product [Mus musculus]" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 11471 1 57 no EMBL CAA36462 . "FK-506 binding protein [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 11471 1 58 no EMBL CAA39272 . "FKBP [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 11471 1 59 no EMBL CAA42762 . "FK506-binding protein [Mus musculus]" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 11471 1 60 no EMBL CAG28541 . "FKBP1A [Homo sapiens]" . . . . . 100.00 108 98.13 99.07 2.20e-70 . . . . 11471 1 61 no EMBL CAG46965 . "FKBP1A [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 11471 1 62 no GB AAA19163 . "immunophilin FKBP12 [Rattus norvegicus]" . . . . . 100.00 108 97.20 97.20 1.21e-69 . . . . 11471 1 63 no GB AAA31252 . "binding protein [Oryctolagus cuniculus]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 11471 1 64 no GB AAA35844 . "FK506-binding protein (FKBP) [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 11471 1 65 no GB AAA58472 . "FKBP-12 protein [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 11471 1 66 no GB AAA58476 . "FK506-binding protein 12 [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 11471 1 67 no PRF 1613455A . "FK506 binding protein FKBP" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 11471 1 68 no REF NP_000792 . "peptidyl-prolyl cis-trans isomerase FKBP1A isoform a [Homo sapiens]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 11471 1 69 no REF NP_001030533 . "peptidyl-prolyl cis-trans isomerase FKBP1A [Bos taurus]" . . . . . 100.00 108 97.20 100.00 1.62e-70 . . . . 11471 1 70 no REF NP_001033089 . "peptidyl-prolyl cis-trans isomerase FKBP1A [Sus scrofa]" . . . . . 100.00 108 98.13 100.00 1.15e-70 . . . . 11471 1 71 no REF NP_001164597 . "peptidyl-prolyl cis-trans isomerase FKBP1A [Oryctolagus cuniculus]" . . . . . 100.00 108 100.00 100.00 3.56e-72 . . . . 11471 1 72 no REF NP_001239119 . "peptidyl-prolyl cis-trans isomerase FKBP1A [Canis lupus familiaris]" . . . . . 100.00 108 99.07 100.00 1.91e-71 . . . . 11471 1 73 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 . . . . 11471 1 74 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 . . . . 11471 1 75 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 . . . . 11471 1 76 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 . . . . 11471 1 77 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 . . . . 11471 1 78 no TPG DAA23300 . "TPA: peptidyl-prolyl cis-trans isomerase FKBP1A [Bos taurus]" . . . . . 100.00 108 97.20 100.00 1.62e-70 . . . . 11471 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 1 902 GLY . 11471 1 2 903 VAL . 11471 1 3 904 GLN . 11471 1 4 905 VAL . 11471 1 5 906 GLU . 11471 1 6 907 THR . 11471 1 7 908 ILE . 11471 1 8 909 SER . 11471 1 9 910 PRO . 11471 1 10 911 GLY . 11471 1 11 912 ASP . 11471 1 12 913 GLY . 11471 1 13 914 ARG . 11471 1 14 915 THR . 11471 1 15 916 PHE . 11471 1 16 917 PRO . 11471 1 17 918 LYS . 11471 1 18 919 ARG . 11471 1 19 920 GLY . 11471 1 20 921 GLN . 11471 1 21 922 THR . 11471 1 22 923 CYS . 11471 1 23 924 VAL . 11471 1 24 925 VAL . 11471 1 25 926 HIS . 11471 1 26 927 TYR . 11471 1 27 928 THR . 11471 1 28 929 GLY . 11471 1 29 930 MET . 11471 1 30 931 LEU . 11471 1 31 932 GLU . 11471 1 32 933 ASP . 11471 1 33 934 GLY . 11471 1 34 935 LYS . 11471 1 35 936 LYS . 11471 1 36 937 PHE . 11471 1 37 938 ASP . 11471 1 38 939 SER . 11471 1 39 940 SER . 11471 1 40 941 ARG . 11471 1 41 942 ASP . 11471 1 42 943 ARG . 11471 1 43 944 ASN . 11471 1 44 945 LYS . 11471 1 45 946 PRO . 11471 1 46 947 PHE . 11471 1 47 948 LYS . 11471 1 48 949 PHE . 11471 1 49 950 MET . 11471 1 50 951 LEU . 11471 1 51 952 GLY . 11471 1 52 953 LYS . 11471 1 53 954 GLN . 11471 1 54 955 GLU . 11471 1 55 956 VAL . 11471 1 56 957 ILE . 11471 1 57 958 ARG . 11471 1 58 959 GLY . 11471 1 59 960 TRP . 11471 1 60 961 GLU . 11471 1 61 962 GLU . 11471 1 62 963 GLY . 11471 1 63 964 VAL . 11471 1 64 965 ALA . 11471 1 65 966 GLN . 11471 1 66 967 MET . 11471 1 67 968 SER . 11471 1 68 969 VAL . 11471 1 69 970 GLY . 11471 1 70 971 GLN . 11471 1 71 972 ARG . 11471 1 72 973 ALA . 11471 1 73 974 LYS . 11471 1 74 975 LEU . 11471 1 75 976 THR . 11471 1 76 977 ILE . 11471 1 77 978 SER . 11471 1 78 979 PRO . 11471 1 79 980 ASP . 11471 1 80 981 TYR . 11471 1 81 982 ALA . 11471 1 82 983 TYR . 11471 1 83 984 GLY . 11471 1 84 985 ALA . 11471 1 85 986 THR . 11471 1 86 987 GLY . 11471 1 87 988 HIS . 11471 1 88 989 PRO . 11471 1 89 990 GLY . 11471 1 90 991 ILE . 11471 1 91 992 ILE . 11471 1 92 993 PRO . 11471 1 93 994 PRO . 11471 1 94 995 HIS . 11471 1 95 996 ALA . 11471 1 96 997 THR . 11471 1 97 998 LEU . 11471 1 98 999 VAL . 11471 1 99 1000 PHE . 11471 1 100 1001 ASP . 11471 1 101 1002 VAL . 11471 1 102 1003 GLU . 11471 1 103 1004 LEU . 11471 1 104 1005 LEU . 11471 1 105 1006 LYS . 11471 1 106 1007 LEU . 11471 1 107 1008 GLU . 11471 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 11471 1 . VAL 2 2 11471 1 . GLN 3 3 11471 1 . VAL 4 4 11471 1 . GLU 5 5 11471 1 . THR 6 6 11471 1 . ILE 7 7 11471 1 . SER 8 8 11471 1 . PRO 9 9 11471 1 . GLY 10 10 11471 1 . ASP 11 11 11471 1 . GLY 12 12 11471 1 . ARG 13 13 11471 1 . THR 14 14 11471 1 . PHE 15 15 11471 1 . PRO 16 16 11471 1 . LYS 17 17 11471 1 . ARG 18 18 11471 1 . GLY 19 19 11471 1 . GLN 20 20 11471 1 . THR 21 21 11471 1 . CYS 22 22 11471 1 . VAL 23 23 11471 1 . VAL 24 24 11471 1 . HIS 25 25 11471 1 . TYR 26 26 11471 1 . THR 27 27 11471 1 . GLY 28 28 11471 1 . MET 29 29 11471 1 . LEU 30 30 11471 1 . GLU 31 31 11471 1 . ASP 32 32 11471 1 . GLY 33 33 11471 1 . LYS 34 34 11471 1 . LYS 35 35 11471 1 . PHE 36 36 11471 1 . ASP 37 37 11471 1 . SER 38 38 11471 1 . SER 39 39 11471 1 . ARG 40 40 11471 1 . ASP 41 41 11471 1 . ARG 42 42 11471 1 . ASN 43 43 11471 1 . LYS 44 44 11471 1 . PRO 45 45 11471 1 . PHE 46 46 11471 1 . LYS 47 47 11471 1 . PHE 48 48 11471 1 . MET 49 49 11471 1 . LEU 50 50 11471 1 . GLY 51 51 11471 1 . LYS 52 52 11471 1 . GLN 53 53 11471 1 . GLU 54 54 11471 1 . VAL 55 55 11471 1 . ILE 56 56 11471 1 . ARG 57 57 11471 1 . GLY 58 58 11471 1 . TRP 59 59 11471 1 . GLU 60 60 11471 1 . GLU 61 61 11471 1 . GLY 62 62 11471 1 . VAL 63 63 11471 1 . ALA 64 64 11471 1 . GLN 65 65 11471 1 . MET 66 66 11471 1 . SER 67 67 11471 1 . VAL 68 68 11471 1 . GLY 69 69 11471 1 . GLN 70 70 11471 1 . ARG 71 71 11471 1 . ALA 72 72 11471 1 . LYS 73 73 11471 1 . LEU 74 74 11471 1 . THR 75 75 11471 1 . ILE 76 76 11471 1 . SER 77 77 11471 1 . PRO 78 78 11471 1 . ASP 79 79 11471 1 . TYR 80 80 11471 1 . ALA 81 81 11471 1 . TYR 82 82 11471 1 . GLY 83 83 11471 1 . ALA 84 84 11471 1 . THR 85 85 11471 1 . GLY 86 86 11471 1 . HIS 87 87 11471 1 . PRO 88 88 11471 1 . GLY 89 89 11471 1 . ILE 90 90 11471 1 . ILE 91 91 11471 1 . PRO 92 92 11471 1 . PRO 93 93 11471 1 . HIS 94 94 11471 1 . ALA 95 95 11471 1 . THR 96 96 11471 1 . LEU 97 97 11471 1 . VAL 98 98 11471 1 . PHE 99 99 11471 1 . ASP 100 100 11471 1 . VAL 101 101 11471 1 . GLU 102 102 11471 1 . LEU 103 103 11471 1 . LEU 104 104 11471 1 . LYS 105 105 11471 1 . LEU 106 106 11471 1 . GLU 107 107 11471 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 11471 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VAILWHEMWHEGLEEASRLY FGERNVKGMFEVLEPLHAMM ERGPQTLKETSFNQAYGRDL MEAQEWCRKYMKSGNVKDLT QAWDLYYHVFRRIS ; _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11332.021 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-31 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16933 . FRB . . . . . 100.00 102 100.00 100.00 1.69e-63 . . . . 11471 2 2 no BMRB 6760 . FRB_domain_polypeptide . . . . . 100.00 126 98.94 98.94 1.92e-62 . . . . 11471 2 3 no PDB 1AUE . "Fkbp-Rapamycin Binding Domain (Frb) Of The Fkbp-Rapamycin Associated Protein" . . . . . 100.00 100 100.00 100.00 1.68e-63 . . . . 11471 2 4 no PDB 1FAP . "The Structure Of The Immunophilin-Immunosuppressant Fkbp12- Rapamycin Complex Interacting With Human Frap" . . . . . 100.00 95 100.00 100.00 1.96e-63 . . . . 11471 2 5 no PDB 1NSG . "The Structure Of The Immunophilin-immunosuppressant Fkbp12-rapamycin Complex Interacting With Human Frap" . . . . . 100.00 94 100.00 100.00 1.90e-63 . . . . 11471 2 6 no PDB 2FAP . "The Structure Of The Immunophilin-immunosuppressant Fkbp12-(c16)- Ethoxy Rapamycin Complex Interacting With Huma" . . . . . 100.00 94 100.00 100.00 1.90e-63 . . . . 11471 2 7 no PDB 2GAQ . "Nmr Solution Structure Of The Frb Domain Of Mtor" . . . . . 100.00 100 100.00 100.00 1.68e-63 . . . . 11471 2 8 no PDB 2NPU . "The Solution Structure Of The Rapamycin-Binding Domain Of Mtor (Frb)" . . . . . 100.00 126 98.94 98.94 1.92e-62 . . . . 11471 2 9 no PDB 2RSE . "Nmr Structure Of Fkbp12-Mtor Frb Domain-Rapamycin Complex Structure Determined Based On Pcs" . . . . . 100.00 94 100.00 100.00 1.90e-63 . . . . 11471 2 10 no PDB 3FAP . "Atomic Structures Of The Rapamycin Analogs In Complex With Both Human Fkbp12 And Frb Domain Of Frap" . . . . . 100.00 94 100.00 100.00 1.90e-63 . . . . 11471 2 11 no PDB 4DRH . "Co-crystal Structure Of The Ppiase Domain Of Fkbp51, Rapamycin And The Frb Fragment Of Mtor At Low Ph" . . . . . 93.62 98 100.00 100.00 1.74e-58 . . . . 11471 2 12 no PDB 4DRI . "Co-crystal Structure Of The Ppiase Domain Of Fkbp51, Rapamycin And The Frb Fragment Of Mtor" . . . . . 93.62 98 100.00 100.00 1.74e-58 . . . . 11471 2 13 no PDB 4DRJ . "O-crystal Structure Of The Ppiase Domain Of Fkbp52, Rapamycin And The Frb Fragment Of Mtor" . . . . . 93.62 98 100.00 100.00 1.74e-58 . . . . 11471 2 14 no PDB 4FAP . "Atomic Structures Of The Rapamycin Analogs In Complex With Both Human Fkbp12 And Frb Domain Of Frap" . . . . . 100.00 94 100.00 100.00 1.90e-63 . . . . 11471 2 15 no PDB 4JSN . "Structure Of Mtordeltan-mlst8 Complex" . . . . . 100.00 1174 100.00 100.00 3.78e-58 . . . . 11471 2 16 no PDB 4JSP . "Structure Of Mtordeltan-mlst8-atpgammas-mg Complex" . . . . . 100.00 1174 100.00 100.00 3.78e-58 . . . . 11471 2 17 no PDB 4JSV . "Mtor Kinase Structure, Mechanism And Regulation." . . . . . 100.00 1174 100.00 100.00 3.78e-58 . . . . 11471 2 18 no PDB 4JSX . "Structure Of Mtordeltan-mlst8-torin2 Complex" . . . . . 100.00 1174 100.00 100.00 3.78e-58 . . . . 11471 2 19 no PDB 4JT5 . "Mtordeltan-mlst8-pp242 Complex" . . . . . 100.00 1174 100.00 100.00 3.78e-58 . . . . 11471 2 20 no PDB 4JT6 . "Structure Of Mtordeltan-mlst8-pi-103 Complex" . . . . . 100.00 1174 100.00 100.00 3.78e-58 . . . . 11471 2 21 no DBJ BAE06077 . "FRAP1 variant protein [Homo sapiens]" . . . . . 100.00 2583 100.00 100.00 2.92e-58 . . . . 11471 2 22 no DBJ BAG10549 . "FKBP12-rapamycin complex-associated protein [synthetic construct]" . . . . . 100.00 2549 100.00 100.00 2.41e-58 . . . . 11471 2 23 no DBJ BAG54371 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 754 100.00 100.00 1.23e-59 . . . . 11471 2 24 no EMBL CAC15570 . "rapamycin associated protein FRAP2 [Homo sapiens]" . . . . . 100.00 1188 100.00 100.00 3.68e-58 . . . . 11471 2 25 no EMBL CAC42395 . "dJ576K7.1 (FK506 binding protein 12-rapamycin associated protein 1) [Homo sapiens]" . . . . . 100.00 895 100.00 100.00 7.91e-59 . . . . 11471 2 26 no GB AAA20091 . "rapamycin and FKBP12 target-1 protein [Rattus norvegicus]" . . . . . 100.00 2549 100.00 100.00 2.21e-58 . . . . 11471 2 27 no GB AAA58486 . "FKBP-rapamycin associated protein [Homo sapiens]" . . . . . 100.00 2549 100.00 100.00 2.46e-58 . . . . 11471 2 28 no GB AAA65929 . "rapamycin target [Rattus norvegicus]" . . . . . 100.00 2549 100.00 100.00 2.21e-58 . . . . 11471 2 29 no GB AAB32957 . "RAPT1=putative novel phosphatidylinositol 3-kinase {N terminal} [human, Peptide Partial, 160 aa]" . . . . . 100.00 160 100.00 100.00 9.51e-64 . . . . 11471 2 30 no GB AAC39933 . "rapamycin associated protein FRAP2 [Homo sapiens]" . . . . . 100.00 2548 100.00 100.00 2.61e-58 . . . . 11471 2 31 no PRF 2014422A . "FKBP-rapamycin-associated protein" . . . . . 100.00 2549 100.00 100.00 2.68e-58 . . . . 11471 2 32 no REF NP_001138927 . "serine/threonine-protein kinase mTOR [Ovis aries]" . . . . . 100.00 2550 100.00 100.00 2.53e-58 . . . . 11471 2 33 no REF NP_001272677 . "mechanistic target of rapamycin (serine/threonine kinase) [Capra hircus]" . . . . . 100.00 2549 100.00 100.00 2.51e-58 . . . . 11471 2 34 no REF NP_004949 . "serine/threonine-protein kinase mTOR [Homo sapiens]" . . . . . 100.00 2549 100.00 100.00 2.46e-58 . . . . 11471 2 35 no REF NP_063971 . "serine/threonine-protein kinase mTOR [Rattus norvegicus]" . . . . . 100.00 2549 100.00 100.00 2.21e-58 . . . . 11471 2 36 no REF NP_064393 . "serine/threonine-protein kinase mTOR [Mus musculus]" . . . . . 100.00 2549 100.00 100.00 2.26e-58 . . . . 11471 2 37 no SP P42345 . "RecName: Full=Serine/threonine-protein kinase mTOR; AltName: Full=FK506-binding protein 12-rapamycin complex-associated protein" . . . . . 100.00 2549 100.00 100.00 2.46e-58 . . . . 11471 2 38 no SP P42346 . "RecName: Full=Serine/threonine-protein kinase mTOR; AltName: Full=FK506-binding protein 12-rapamycin complex-associated protein" . . . . . 100.00 2549 100.00 100.00 2.21e-58 . . . . 11471 2 39 no SP Q9JLN9 . "RecName: Full=Serine/threonine-protein kinase mTOR; AltName: Full=FK506-binding protein 12-rapamycin complex-associated protein" . . . . . 100.00 2549 100.00 100.00 2.26e-58 . . . . 11471 2 40 no TPG DAA21300 . "TPA: mechanistic target of rapamycin (serine/threonine kinase) [Bos taurus]" . . . . . 100.00 2551 100.00 100.00 2.42e-58 . . . . 11471 2 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 1009 VAL . 11471 2 2 1010 ALA . 11471 2 3 1011 ILE . 11471 2 4 1012 LEU . 11471 2 5 1013 TRP . 11471 2 6 1014 HIS . 11471 2 7 1015 GLU . 11471 2 8 1016 MET . 11471 2 9 1017 TRP . 11471 2 10 1018 HIS . 11471 2 11 1019 GLU . 11471 2 12 1020 GLY . 11471 2 13 1021 LEU . 11471 2 14 1022 GLU . 11471 2 15 1023 GLU . 11471 2 16 1024 ALA . 11471 2 17 1025 SER . 11471 2 18 1026 ARG . 11471 2 19 1027 LEU . 11471 2 20 1028 TYR . 11471 2 21 1029 PHE . 11471 2 22 1030 GLY . 11471 2 23 1031 GLU . 11471 2 24 1032 ARG . 11471 2 25 1033 ASN . 11471 2 26 1034 VAL . 11471 2 27 1035 LYS . 11471 2 28 1036 GLY . 11471 2 29 1037 MET . 11471 2 30 1038 PHE . 11471 2 31 1039 GLU . 11471 2 32 1040 VAL . 11471 2 33 1041 LEU . 11471 2 34 1042 GLU . 11471 2 35 1043 PRO . 11471 2 36 1044 LEU . 11471 2 37 1045 HIS . 11471 2 38 1046 ALA . 11471 2 39 1047 MET . 11471 2 40 1048 MET . 11471 2 41 1049 GLU . 11471 2 42 1050 ARG . 11471 2 43 1051 GLY . 11471 2 44 1052 PRO . 11471 2 45 1053 GLN . 11471 2 46 1054 THR . 11471 2 47 1055 LEU . 11471 2 48 1056 LYS . 11471 2 49 1057 GLU . 11471 2 50 1058 THR . 11471 2 51 1059 SER . 11471 2 52 1060 PHE . 11471 2 53 1061 ASN . 11471 2 54 1062 GLN . 11471 2 55 1063 ALA . 11471 2 56 1064 TYR . 11471 2 57 1065 GLY . 11471 2 58 1066 ARG . 11471 2 59 1067 ASP . 11471 2 60 1068 LEU . 11471 2 61 1069 MET . 11471 2 62 1070 GLU . 11471 2 63 1071 ALA . 11471 2 64 1072 GLN . 11471 2 65 1073 GLU . 11471 2 66 1074 TRP . 11471 2 67 1075 CYS . 11471 2 68 1076 ARG . 11471 2 69 1077 LYS . 11471 2 70 1078 TYR . 11471 2 71 1079 MET . 11471 2 72 1080 LYS . 11471 2 73 1081 SER . 11471 2 74 1082 GLY . 11471 2 75 1083 ASN . 11471 2 76 1084 VAL . 11471 2 77 1085 LYS . 11471 2 78 1086 ASP . 11471 2 79 1087 LEU . 11471 2 80 1088 THR . 11471 2 81 1089 GLN . 11471 2 82 1090 ALA . 11471 2 83 1091 TRP . 11471 2 84 1092 ASP . 11471 2 85 1093 LEU . 11471 2 86 1094 TYR . 11471 2 87 1095 TYR . 11471 2 88 1096 HIS . 11471 2 89 1097 VAL . 11471 2 90 1098 PHE . 11471 2 91 1099 ARG . 11471 2 92 1100 ARG . 11471 2 93 1101 ILE . 11471 2 94 1102 SER . 11471 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . VAL 1 1 11471 2 . ALA 2 2 11471 2 . ILE 3 3 11471 2 . LEU 4 4 11471 2 . TRP 5 5 11471 2 . HIS 6 6 11471 2 . GLU 7 7 11471 2 . MET 8 8 11471 2 . TRP 9 9 11471 2 . HIS 10 10 11471 2 . GLU 11 11 11471 2 . GLY 12 12 11471 2 . LEU 13 13 11471 2 . GLU 14 14 11471 2 . GLU 15 15 11471 2 . ALA 16 16 11471 2 . SER 17 17 11471 2 . ARG 18 18 11471 2 . LEU 19 19 11471 2 . TYR 20 20 11471 2 . PHE 21 21 11471 2 . GLY 22 22 11471 2 . GLU 23 23 11471 2 . ARG 24 24 11471 2 . ASN 25 25 11471 2 . VAL 26 26 11471 2 . LYS 27 27 11471 2 . GLY 28 28 11471 2 . MET 29 29 11471 2 . PHE 30 30 11471 2 . GLU 31 31 11471 2 . VAL 32 32 11471 2 . LEU 33 33 11471 2 . GLU 34 34 11471 2 . PRO 35 35 11471 2 . LEU 36 36 11471 2 . HIS 37 37 11471 2 . ALA 38 38 11471 2 . MET 39 39 11471 2 . MET 40 40 11471 2 . GLU 41 41 11471 2 . ARG 42 42 11471 2 . GLY 43 43 11471 2 . PRO 44 44 11471 2 . GLN 45 45 11471 2 . THR 46 46 11471 2 . LEU 47 47 11471 2 . LYS 48 48 11471 2 . GLU 49 49 11471 2 . THR 50 50 11471 2 . SER 51 51 11471 2 . PHE 52 52 11471 2 . ASN 53 53 11471 2 . GLN 54 54 11471 2 . ALA 55 55 11471 2 . TYR 56 56 11471 2 . GLY 57 57 11471 2 . ARG 58 58 11471 2 . ASP 59 59 11471 2 . LEU 60 60 11471 2 . MET 61 61 11471 2 . GLU 62 62 11471 2 . ALA 63 63 11471 2 . GLN 64 64 11471 2 . GLU 65 65 11471 2 . TRP 66 66 11471 2 . CYS 67 67 11471 2 . ARG 68 68 11471 2 . LYS 69 69 11471 2 . TYR 70 70 11471 2 . MET 71 71 11471 2 . LYS 72 72 11471 2 . SER 73 73 11471 2 . GLY 74 74 11471 2 . ASN 75 75 11471 2 . VAL 76 76 11471 2 . LYS 77 77 11471 2 . ASP 78 78 11471 2 . LEU 79 79 11471 2 . THR 80 80 11471 2 . GLN 81 81 11471 2 . ALA 82 82 11471 2 . TRP 83 83 11471 2 . ASP 84 84 11471 2 . LEU 85 85 11471 2 . TYR 86 86 11471 2 . TYR 87 87 11471 2 . HIS 88 88 11471 2 . VAL 89 89 11471 2 . PHE 90 90 11471 2 . ARG 91 91 11471 2 . ARG 92 92 11471 2 . ILE 93 93 11471 2 . SER 94 94 11471 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11471 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11471 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11471 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 11471 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' E.coli . 562 Escherichia coli . . . . . . . . . . . . . . . . pGBHPS . . . . . . 11471 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' E.coli . 562 Escherichia coli . . . . . . . . . . . . . . . . pGBHPS . . . . . . 11471 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11471 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FKBP12 'natural abundance' . . 1 $entity_1 . protein 0.3 . . mM . . . . 11471 1 2 FRB '[U-98% 15N]' . . 2 $entity_2 . protein 0.3 . . mM . . . . 11471 1 3 H2O . . . . . . solvent 90 . . % . . . . 11471 1 4 D2O . . . . . . solvent 10 . . % . . . . 11471 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11471 _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' 0.15 . M 11471 1 pH 7 . pH 11471 1 pressure 1 . atm 11471 1 temperature 298 . K 11471 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 11471 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 11471 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11471 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 11471 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 11471 _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 Varian INOVA . 600 . . . 11471 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 11471 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11471 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11471 _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 carbons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 11471 1 H 1 DSS protons . . . . ppm 0 internal direct 1 . . . . . . . . . 11471 1 N 15 DSS nitrogen . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 11471 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 11471 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 11471 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 2.776 0.007 . . . . . A 902 GLY HA2 . 11471 1 2 . 1 1 1 1 GLY HA3 H 1 2.776 0.007 . . . . . A 902 GLY HA3 . 11471 1 3 . 1 1 1 1 GLY H H 1 8.289 0.012 . . . . . A 902 GLY H1 . 11471 1 4 . 1 1 1 1 GLY CA C 13 45.279 0.083 . . . . . A 902 GLY CA . 11471 1 5 . 1 1 1 1 GLY N N 15 111.899 0.038 . . . . . A 902 GLY N . 11471 1 6 . 1 1 2 2 VAL H H 1 7.656 0.004 . . . . . A 903 VAL H . 11471 1 7 . 1 1 2 2 VAL HA H 1 5.049 0.011 . . . . . A 903 VAL HA . 11471 1 8 . 1 1 2 2 VAL HB H 1 1.901 0.002 . . . . . A 903 VAL HB . 11471 1 9 . 1 1 2 2 VAL HG11 H 1 0.787 0 . . . . . A 903 VAL HG11 . 11471 1 10 . 1 1 2 2 VAL HG12 H 1 0.787 0 . . . . . A 903 VAL HG12 . 11471 1 11 . 1 1 2 2 VAL HG13 H 1 0.787 0 . . . . . A 903 VAL HG13 . 11471 1 12 . 1 1 2 2 VAL HG21 H 1 0.884 0 . . . . . A 903 VAL HG21 . 11471 1 13 . 1 1 2 2 VAL HG22 H 1 0.884 0 . . . . . A 903 VAL HG22 . 11471 1 14 . 1 1 2 2 VAL HG23 H 1 0.884 0 . . . . . A 903 VAL HG23 . 11471 1 15 . 1 1 2 2 VAL CA C 13 59.111 0.114 . . . . . A 903 VAL CA . 11471 1 16 . 1 1 2 2 VAL CB C 13 34.611 0.098 . . . . . A 903 VAL CB . 11471 1 17 . 1 1 2 2 VAL CG1 C 13 22.274 0 . . . . . A 903 VAL CG1 . 11471 1 18 . 1 1 2 2 VAL CG2 C 13 18.76 0 . . . . . A 903 VAL CG2 . 11471 1 19 . 1 1 2 2 VAL N N 15 117.489 0.019 . . . . . A 903 VAL N . 11471 1 20 . 1 1 3 3 GLN H H 1 8.573 0.006 . . . . . A 904 GLN H . 11471 1 21 . 1 1 3 3 GLN HA H 1 4.683 0.015 . . . . . A 904 GLN HA . 11471 1 22 . 1 1 3 3 GLN HB2 H 1 2.066 0 . . . . . A 904 GLN HB2 . 11471 1 23 . 1 1 3 3 GLN HB3 H 1 1.92 0 . . . . . A 904 GLN HB3 . 11471 1 24 . 1 1 3 3 GLN HG2 H 1 2.307 0 . . . . . A 904 GLN HG2 . 11471 1 25 . 1 1 3 3 GLN HG3 H 1 2.247 0 . . . . . A 904 GLN HG3 . 11471 1 26 . 1 1 3 3 GLN HE21 H 1 6.796 0.005 . . . . . A 904 GLN HE21 . 11471 1 27 . 1 1 3 3 GLN HE22 H 1 7.429 0.004 . . . . . A 904 GLN HE22 . 11471 1 28 . 1 1 3 3 GLN CA C 13 54.174 0.146 . . . . . A 904 GLN CA . 11471 1 29 . 1 1 3 3 GLN CB C 13 31.767 0.058 . . . . . A 904 GLN CB . 11471 1 30 . 1 1 3 3 GLN CG C 13 33.96 0.039 . . . . . A 904 GLN CG . 11471 1 31 . 1 1 3 3 GLN N N 15 127.217 0.021 . . . . . A 904 GLN N . 11471 1 32 . 1 1 3 3 GLN NE2 N 15 111.583 0.001 . . . . . A 904 GLN NE2 . 11471 1 33 . 1 1 4 4 VAL H H 1 8.824 0.005 . . . . . A 905 VAL H . 11471 1 34 . 1 1 4 4 VAL HA H 1 4.511 0 . . . . . A 905 VAL HA . 11471 1 35 . 1 1 4 4 VAL HB H 1 2.004 0.023 . . . . . A 905 VAL HB . 11471 1 36 . 1 1 4 4 VAL HG11 H 1 0.617 0 . . . . . A 905 VAL HG11 . 11471 1 37 . 1 1 4 4 VAL HG12 H 1 0.617 0 . . . . . A 905 VAL HG12 . 11471 1 38 . 1 1 4 4 VAL HG13 H 1 0.617 0 . . . . . A 905 VAL HG13 . 11471 1 39 . 1 1 4 4 VAL HG21 H 1 0.76 0 . . . . . A 905 VAL HG21 . 11471 1 40 . 1 1 4 4 VAL HG22 H 1 0.76 0 . . . . . A 905 VAL HG22 . 11471 1 41 . 1 1 4 4 VAL HG23 H 1 0.76 0 . . . . . A 905 VAL HG23 . 11471 1 42 . 1 1 4 4 VAL CA C 13 61.924 0.083 . . . . . A 905 VAL CA . 11471 1 43 . 1 1 4 4 VAL CB C 13 33.102 0.042 . . . . . A 905 VAL CB . 11471 1 44 . 1 1 4 4 VAL CG1 C 13 20.591 0 . . . . . A 905 VAL CG1 . 11471 1 45 . 1 1 4 4 VAL CG2 C 13 21.095 0 . . . . . A 905 VAL CG2 . 11471 1 46 . 1 1 4 4 VAL N N 15 125.529 0.019 . . . . . A 905 VAL N . 11471 1 47 . 1 1 5 5 GLU H H 1 8.987 0.004 . . . . . A 906 GLU H . 11471 1 48 . 1 1 5 5 GLU CA C 13 54.396 0 . . . . . A 906 GLU CA . 11471 1 49 . 1 1 5 5 GLU N N 15 128.79 0.02 . . . . . A 906 GLU N . 11471 1 50 . 1 1 6 6 THR HA H 1 3.893 0.004 . . . . . A 907 THR HA . 11471 1 51 . 1 1 6 6 THR HB H 1 4.069 0.012 . . . . . A 907 THR HB . 11471 1 52 . 1 1 6 6 THR HG21 H 1 1.096 0.015 . . . . . A 907 THR HG21 . 11471 1 53 . 1 1 6 6 THR HG22 H 1 1.096 0.015 . . . . . A 907 THR HG22 . 11471 1 54 . 1 1 6 6 THR HG23 H 1 1.096 0.015 . . . . . A 907 THR HG23 . 11471 1 55 . 1 1 6 6 THR CA C 13 66.845 0.075 . . . . . A 907 THR CA . 11471 1 56 . 1 1 6 6 THR CB C 13 68.882 0.081 . . . . . A 907 THR CB . 11471 1 57 . 1 1 6 6 THR CG2 C 13 22.372 0.085 . . . . . A 907 THR CG2 . 11471 1 58 . 1 1 7 7 ILE H H 1 9.371 0.004 . . . . . A 908 ILE H . 11471 1 59 . 1 1 7 7 ILE HA H 1 4.071 0.002 . . . . . A 908 ILE HA . 11471 1 60 . 1 1 7 7 ILE HB H 1 1.304 0.008 . . . . . A 908 ILE HB . 11471 1 61 . 1 1 7 7 ILE HG12 H 1 1.054 0 . . . . . A 908 ILE HG12 . 11471 1 62 . 1 1 7 7 ILE HG13 H 1 1.554 0 . . . . . A 908 ILE HG13 . 11471 1 63 . 1 1 7 7 ILE HG21 H 1 0.868 0 . . . . . A 908 ILE HG21 . 11471 1 64 . 1 1 7 7 ILE HG22 H 1 0.868 0 . . . . . A 908 ILE HG22 . 11471 1 65 . 1 1 7 7 ILE HG23 H 1 0.868 0 . . . . . A 908 ILE HG23 . 11471 1 66 . 1 1 7 7 ILE HD11 H 1 0.707 0 . . . . . A 908 ILE HD11 . 11471 1 67 . 1 1 7 7 ILE HD12 H 1 0.707 0 . . . . . A 908 ILE HD12 . 11471 1 68 . 1 1 7 7 ILE HD13 H 1 0.707 0 . . . . . A 908 ILE HD13 . 11471 1 69 . 1 1 7 7 ILE CA C 13 63.213 0.122 . . . . . A 908 ILE CA . 11471 1 70 . 1 1 7 7 ILE CB C 13 39.554 0.046 . . . . . A 908 ILE CB . 11471 1 71 . 1 1 7 7 ILE CG1 C 13 27.964 0 . . . . . A 908 ILE CG1 . 11471 1 72 . 1 1 7 7 ILE CG2 C 13 16.488 0 . . . . . A 908 ILE CG2 . 11471 1 73 . 1 1 7 7 ILE CD1 C 13 13.352 0 . . . . . A 908 ILE CD1 . 11471 1 74 . 1 1 7 7 ILE N N 15 129.743 0.017 . . . . . A 908 ILE N . 11471 1 75 . 1 1 8 8 SER H H 1 8.307 0.004 . . . . . A 909 SER H . 11471 1 76 . 1 1 8 8 SER CA C 13 55.592 0 . . . . . A 909 SER CA . 11471 1 77 . 1 1 8 8 SER CB C 13 64.363 0 . . . . . A 909 SER CB . 11471 1 78 . 1 1 8 8 SER N N 15 114.787 0.033 . . . . . A 909 SER N . 11471 1 79 . 1 1 9 9 PRO HA H 1 4.336 0.007 . . . . . A 910 PRO HA . 11471 1 80 . 1 1 9 9 PRO HB2 H 1 2.128 0.002 . . . . . A 910 PRO HB2 . 11471 1 81 . 1 1 9 9 PRO HB3 H 1 2.295 0 . . . . . A 910 PRO HB3 . 11471 1 82 . 1 1 9 9 PRO HG2 H 1 2.058 0 . . . . . A 910 PRO HG2 . 11471 1 83 . 1 1 9 9 PRO HG3 H 1 1.987 0 . . . . . A 910 PRO HG3 . 11471 1 84 . 1 1 9 9 PRO HD2 H 1 3.724 0 . . . . . A 910 PRO HD2 . 11471 1 85 . 1 1 9 9 PRO HD3 H 1 3.82 0 . . . . . A 910 PRO HD3 . 11471 1 86 . 1 1 9 9 PRO CA C 13 63.657 0.185 . . . . . A 910 PRO CA . 11471 1 87 . 1 1 9 9 PRO CB C 13 32.869 0.052 . . . . . A 910 PRO CB . 11471 1 88 . 1 1 9 9 PRO CG C 13 27.074 0 . . . . . A 910 PRO CG . 11471 1 89 . 1 1 9 9 PRO CD C 13 51.188 0 . . . . . A 910 PRO CD . 11471 1 90 . 1 1 10 10 GLY H H 1 8.488 0.005 . . . . . A 911 GLY H . 11471 1 91 . 1 1 10 10 GLY HA2 H 1 3.524 0.004 . . . . . A 911 GLY HA2 . 11471 1 92 . 1 1 10 10 GLY HA3 H 1 4.141 0.011 . . . . . A 911 GLY HA3 . 11471 1 93 . 1 1 10 10 GLY CA C 13 44.098 0.072 . . . . . A 911 GLY CA . 11471 1 94 . 1 1 10 10 GLY N N 15 107.868 0.014 . . . . . A 911 GLY N . 11471 1 95 . 1 1 11 11 ASP H H 1 8.054 0.007 . . . . . A 912 ASP H . 11471 1 96 . 1 1 11 11 ASP HA H 1 4.302 0.009 . . . . . A 912 ASP HA . 11471 1 97 . 1 1 11 11 ASP HB2 H 1 2.761 0.022 . . . . . A 912 ASP HB2 . 11471 1 98 . 1 1 11 11 ASP HB3 H 1 2.983 0.022 . . . . . A 912 ASP HB3 . 11471 1 99 . 1 1 11 11 ASP CA C 13 54.54 0.03 . . . . . A 912 ASP CA . 11471 1 100 . 1 1 11 11 ASP CB C 13 39.425 0.062 . . . . . A 912 ASP CB . 11471 1 101 . 1 1 11 11 ASP N N 15 118.804 0.01 . . . . . A 912 ASP N . 11471 1 102 . 1 1 12 12 GLY H H 1 8.715 0.004 . . . . . A 913 GLY H . 11471 1 103 . 1 1 12 12 GLY HA2 H 1 4.015 0.001 . . . . . A 913 GLY HA2 . 11471 1 104 . 1 1 12 12 GLY HA3 H 1 3.477 0.01 . . . . . A 913 GLY HA3 . 11471 1 105 . 1 1 12 12 GLY CA C 13 45.994 0.031 . . . . . A 913 GLY CA . 11471 1 106 . 1 1 12 12 GLY N N 15 108.265 0.019 . . . . . A 913 GLY N . 11471 1 107 . 1 1 13 13 ARG H H 1 8.543 0.008 . . . . . A 914 ARG H . 11471 1 108 . 1 1 13 13 ARG HA H 1 4.728 0.008 . . . . . A 914 ARG HA . 11471 1 109 . 1 1 13 13 ARG HB2 H 1 1.729 0.001 . . . . . A 914 ARG HB2 . 11471 1 110 . 1 1 13 13 ARG HB3 H 1 1.542 0 . . . . . A 914 ARG HB3 . 11471 1 111 . 1 1 13 13 ARG HG2 H 1 1.554 0 . . . . . A 914 ARG HG2 . 11471 1 112 . 1 1 13 13 ARG HG3 H 1 1.436 0 . . . . . A 914 ARG HG3 . 11471 1 113 . 1 1 13 13 ARG HD2 H 1 3.159 0 . . . . . A 914 ARG HD2 . 11471 1 114 . 1 1 13 13 ARG HD3 H 1 3.159 0 . . . . . A 914 ARG HD3 . 11471 1 115 . 1 1 13 13 ARG CA C 13 56.86 0.052 . . . . . A 914 ARG CA . 11471 1 116 . 1 1 13 13 ARG CB C 13 34.458 0.102 . . . . . A 914 ARG CB . 11471 1 117 . 1 1 13 13 ARG CG C 13 26.759 0 . . . . . A 914 ARG CG . 11471 1 118 . 1 1 13 13 ARG CD C 13 43.281 0 . . . . . A 914 ARG CD . 11471 1 119 . 1 1 13 13 ARG N N 15 117.666 0.011 . . . . . A 914 ARG N . 11471 1 120 . 1 1 14 14 THR H H 1 10.245 0.005 . . . . . A 915 THR H . 11471 1 121 . 1 1 14 14 THR HA H 1 4.211 0 . . . . . A 915 THR HA . 11471 1 122 . 1 1 14 14 THR HB H 1 4.22 0.009 . . . . . A 915 THR HB . 11471 1 123 . 1 1 14 14 THR HG21 H 1 1.105 0 . . . . . A 915 THR HG21 . 11471 1 124 . 1 1 14 14 THR HG22 H 1 1.105 0 . . . . . A 915 THR HG22 . 11471 1 125 . 1 1 14 14 THR HG23 H 1 1.105 0 . . . . . A 915 THR HG23 . 11471 1 126 . 1 1 14 14 THR CA C 13 61.965 0.023 . . . . . A 915 THR CA . 11471 1 127 . 1 1 14 14 THR CB C 13 66.423 0.095 . . . . . A 915 THR CB . 11471 1 128 . 1 1 14 14 THR CG2 C 13 22.586 0 . . . . . A 915 THR CG2 . 11471 1 129 . 1 1 14 14 THR N N 15 125.413 0.021 . . . . . A 915 THR N . 11471 1 130 . 1 1 15 15 PHE H H 1 8.134 0.004 . . . . . A 916 PHE H . 11471 1 131 . 1 1 15 15 PHE HA H 1 5.214 0.002 . . . . . A 916 PHE HA . 11471 1 132 . 1 1 15 15 PHE HB2 H 1 2.603 0.023 . . . . . A 916 PHE HB2 . 11471 1 133 . 1 1 15 15 PHE HB3 H 1 3.089 0.02 . . . . . A 916 PHE HB3 . 11471 1 134 . 1 1 15 15 PHE HD1 H 1 7.046 0 . . . . . A 916 PHE HD1 . 11471 1 135 . 1 1 15 15 PHE HD2 H 1 7.046 0 . . . . . A 916 PHE HD2 . 11471 1 136 . 1 1 15 15 PHE CA C 13 54.454 0.065 . . . . . A 916 PHE CA . 11471 1 137 . 1 1 15 15 PHE CB C 13 39.727 0.113 . . . . . A 916 PHE CB . 11471 1 138 . 1 1 15 15 PHE N N 15 124.947 0.015 . . . . . A 916 PHE N . 11471 1 139 . 1 1 16 16 PRO HA H 1 4.371 0.002 . . . . . A 917 PRO HA . 11471 1 140 . 1 1 16 16 PRO HB2 H 1 1.674 0.018 . . . . . A 917 PRO HB2 . 11471 1 141 . 1 1 16 16 PRO HB3 H 1 2.044 0.003 . . . . . A 917 PRO HB3 . 11471 1 142 . 1 1 16 16 PRO HG2 H 1 2.105 0 . . . . . A 917 PRO HG2 . 11471 1 143 . 1 1 16 16 PRO HG3 H 1 1.825 0 . . . . . A 917 PRO HG3 . 11471 1 144 . 1 1 16 16 PRO HD2 H 1 4.066 0.013 . . . . . A 917 PRO HD2 . 11471 1 145 . 1 1 16 16 PRO HD3 H 1 4.218 0 . . . . . A 917 PRO HD3 . 11471 1 146 . 1 1 16 16 PRO CA C 13 62.797 0.145 . . . . . A 917 PRO CA . 11471 1 147 . 1 1 16 16 PRO CB C 13 33.307 0.035 . . . . . A 917 PRO CB . 11471 1 148 . 1 1 16 16 PRO CG C 13 28.284 0 . . . . . A 917 PRO CG . 11471 1 149 . 1 1 16 16 PRO CD C 13 51.556 0.051 . . . . . A 917 PRO CD . 11471 1 150 . 1 1 17 17 LYS H H 1 8.538 0.005 . . . . . A 918 LYS H . 11471 1 151 . 1 1 17 17 LYS HA H 1 4.599 0.009 . . . . . A 918 LYS HA . 11471 1 152 . 1 1 17 17 LYS HB2 H 1 1.821 0.003 . . . . . A 918 LYS HB2 . 11471 1 153 . 1 1 17 17 LYS HB3 H 1 1.538 0.006 . . . . . A 918 LYS HB3 . 11471 1 154 . 1 1 17 17 LYS HG2 H 1 1.511 0 . . . . . A 918 LYS HG2 . 11471 1 155 . 1 1 17 17 LYS HG3 H 1 1.446 0 . . . . . A 918 LYS HG3 . 11471 1 156 . 1 1 17 17 LYS HD2 H 1 1.681 0 . . . . . A 918 LYS HD2 . 11471 1 157 . 1 1 17 17 LYS HD3 H 1 1.617 0 . . . . . A 918 LYS HD3 . 11471 1 158 . 1 1 17 17 LYS HE2 H 1 3.007 0.015 . . . . . A 918 LYS HE2 . 11471 1 159 . 1 1 17 17 LYS HE3 H 1 3.007 0.015 . . . . . A 918 LYS HE3 . 11471 1 160 . 1 1 17 17 LYS CA C 13 53.497 0.084 . . . . . A 918 LYS CA . 11471 1 161 . 1 1 17 17 LYS CB C 13 34.884 0.104 . . . . . A 918 LYS CB . 11471 1 162 . 1 1 17 17 LYS CG C 13 24.604 0 . . . . . A 918 LYS CG . 11471 1 163 . 1 1 17 17 LYS CD C 13 28.862 0 . . . . . A 918 LYS CD . 11471 1 164 . 1 1 17 17 LYS CE C 13 42.309 0.336 . . . . . A 918 LYS CE . 11471 1 165 . 1 1 17 17 LYS N N 15 121.492 0.033 . . . . . A 918 LYS N . 11471 1 166 . 1 1 18 18 ARG H H 1 8.457 0.003 . . . . . A 919 ARG H . 11471 1 167 . 1 1 18 18 ARG HA H 1 3.657 0.003 . . . . . A 919 ARG HA . 11471 1 168 . 1 1 18 18 ARG HB2 H 1 1.77 0.024 . . . . . A 919 ARG HB2 . 11471 1 169 . 1 1 18 18 ARG HB3 H 1 1.77 0.024 . . . . . A 919 ARG HB3 . 11471 1 170 . 1 1 18 18 ARG HG2 H 1 1.503 0 . . . . . A 919 ARG HG2 . 11471 1 171 . 1 1 18 18 ARG HG3 H 1 1.503 0 . . . . . A 919 ARG HG3 . 11471 1 172 . 1 1 18 18 ARG HD2 H 1 3.241 0 . . . . . A 919 ARG HD2 . 11471 1 173 . 1 1 18 18 ARG HD3 H 1 3.241 0 . . . . . A 919 ARG HD3 . 11471 1 174 . 1 1 18 18 ARG CA C 13 58.693 0.046 . . . . . A 919 ARG CA . 11471 1 175 . 1 1 18 18 ARG CB C 13 29.62 0.1 . . . . . A 919 ARG CB . 11471 1 176 . 1 1 18 18 ARG CG C 13 27.998 0 . . . . . A 919 ARG CG . 11471 1 177 . 1 1 18 18 ARG CD C 13 43.372 0 . . . . . A 919 ARG CD . 11471 1 178 . 1 1 18 18 ARG N N 15 120.319 0.021 . . . . . A 919 ARG N . 11471 1 179 . 1 1 19 19 GLY H H 1 8.928 0.005 . . . . . A 920 GLY H . 11471 1 180 . 1 1 19 19 GLY HA2 H 1 4.379 0.011 . . . . . A 920 GLY HA2 . 11471 1 181 . 1 1 19 19 GLY HA3 H 1 3.593 0.03 . . . . . A 920 GLY HA3 . 11471 1 182 . 1 1 19 19 GLY CA C 13 44.909 0.06 . . . . . A 920 GLY CA . 11471 1 183 . 1 1 19 19 GLY N N 15 113.107 0.022 . . . . . A 920 GLY N . 11471 1 184 . 1 1 20 20 GLN H H 1 8.103 0.007 . . . . . A 921 GLN H . 11471 1 185 . 1 1 20 20 GLN HA H 1 4.497 0.011 . . . . . A 921 GLN HA . 11471 1 186 . 1 1 20 20 GLN HB2 H 1 2.241 0.004 . . . . . A 921 GLN HB2 . 11471 1 187 . 1 1 20 20 GLN HB3 H 1 1.903 0 . . . . . A 921 GLN HB3 . 11471 1 188 . 1 1 20 20 GLN HG2 H 1 2.355 0 . . . . . A 921 GLN HG2 . 11471 1 189 . 1 1 20 20 GLN HG3 H 1 2.276 0 . . . . . A 921 GLN HG3 . 11471 1 190 . 1 1 20 20 GLN HE21 H 1 6.479 0 . . . . . A 921 GLN HE21 . 11471 1 191 . 1 1 20 20 GLN HE22 H 1 7.612 0 . . . . . A 921 GLN HE22 . 11471 1 192 . 1 1 20 20 GLN CA C 13 56.326 0.065 . . . . . A 921 GLN CA . 11471 1 193 . 1 1 20 20 GLN CB C 13 30.757 0.052 . . . . . A 921 GLN CB . 11471 1 194 . 1 1 20 20 GLN CG C 13 35.815 0.073 . . . . . A 921 GLN CG . 11471 1 195 . 1 1 20 20 GLN N N 15 118.965 0.038 . . . . . A 921 GLN N . 11471 1 196 . 1 1 20 20 GLN NE2 N 15 110.835 0.001 . . . . . A 921 GLN NE2 . 11471 1 197 . 1 1 21 21 THR H H 1 8.67 0.004 . . . . . A 922 THR H . 11471 1 198 . 1 1 21 21 THR HA H 1 4.502 0.002 . . . . . A 922 THR HA . 11471 1 199 . 1 1 21 21 THR HB H 1 3.914 0.003 . . . . . A 922 THR HB . 11471 1 200 . 1 1 21 21 THR HG21 H 1 0.846 0 . . . . . A 922 THR HG21 . 11471 1 201 . 1 1 21 21 THR HG22 H 1 0.846 0 . . . . . A 922 THR HG22 . 11471 1 202 . 1 1 21 21 THR HG23 H 1 0.846 0 . . . . . A 922 THR HG23 . 11471 1 203 . 1 1 21 21 THR CA C 13 63.046 0.024 . . . . . A 922 THR CA . 11471 1 204 . 1 1 21 21 THR CB C 13 68.81 0.076 . . . . . A 922 THR CB . 11471 1 205 . 1 1 21 21 THR CG2 C 13 21.457 0 . . . . . A 922 THR CG2 . 11471 1 206 . 1 1 21 21 THR N N 15 119.874 0.02 . . . . . A 922 THR N . 11471 1 207 . 1 1 22 22 CYS H H 1 8.833 0.001 . . . . . A 923 CYS H . 11471 1 208 . 1 1 22 22 CYS HA H 1 4.382 0 . . . . . A 923 CYS HA . 11471 1 209 . 1 1 22 22 CYS HB2 H 1 2.158 0.001 . . . . . A 923 CYS HB2 . 11471 1 210 . 1 1 22 22 CYS HB3 H 1 1.994 0.002 . . . . . A 923 CYS HB3 . 11471 1 211 . 1 1 22 22 CYS CA C 13 58.061 0.021 . . . . . A 923 CYS CA . 11471 1 212 . 1 1 22 22 CYS CB C 13 29.251 0.047 . . . . . A 923 CYS CB . 11471 1 213 . 1 1 22 22 CYS N N 15 126.056 0.068 . . . . . A 923 CYS N . 11471 1 214 . 1 1 23 23 VAL H H 1 8.147 0.002 . . . . . A 924 VAL H . 11471 1 215 . 1 1 23 23 VAL HA H 1 4.738 0 . . . . . A 924 VAL HA . 11471 1 216 . 1 1 23 23 VAL HB H 1 2.039 0.001 . . . . . A 924 VAL HB . 11471 1 217 . 1 1 23 23 VAL HG11 H 1 0.651 0 . . . . . A 924 VAL HG11 . 11471 1 218 . 1 1 23 23 VAL HG12 H 1 0.651 0 . . . . . A 924 VAL HG12 . 11471 1 219 . 1 1 23 23 VAL HG13 H 1 0.651 0 . . . . . A 924 VAL HG13 . 11471 1 220 . 1 1 23 23 VAL HG21 H 1 0.781 0 . . . . . A 924 VAL HG21 . 11471 1 221 . 1 1 23 23 VAL HG22 H 1 0.781 0 . . . . . A 924 VAL HG22 . 11471 1 222 . 1 1 23 23 VAL HG23 H 1 0.781 0 . . . . . A 924 VAL HG23 . 11471 1 223 . 1 1 23 23 VAL CA C 13 61.419 0.09 . . . . . A 924 VAL CA . 11471 1 224 . 1 1 23 23 VAL CB C 13 31.329 0.083 . . . . . A 924 VAL CB . 11471 1 225 . 1 1 23 23 VAL CG1 C 13 19.904 0 . . . . . A 924 VAL CG1 . 11471 1 226 . 1 1 23 23 VAL CG2 C 13 21.326 0 . . . . . A 924 VAL CG2 . 11471 1 227 . 1 1 23 23 VAL N N 15 123.623 0.015 . . . . . A 924 VAL N . 11471 1 228 . 1 1 24 24 VAL H H 1 9.799 0.003 . . . . . A 925 VAL H . 11471 1 229 . 1 1 24 24 VAL HA H 1 5.912 0 . . . . . A 925 VAL HA . 11471 1 230 . 1 1 24 24 VAL HB H 1 2.483 0 . . . . . A 925 VAL HB . 11471 1 231 . 1 1 24 24 VAL HG11 H 1 1.486 0 . . . . . A 925 VAL HG11 . 11471 1 232 . 1 1 24 24 VAL HG12 H 1 1.486 0 . . . . . A 925 VAL HG12 . 11471 1 233 . 1 1 24 24 VAL HG13 H 1 1.486 0 . . . . . A 925 VAL HG13 . 11471 1 234 . 1 1 24 24 VAL HG21 H 1 1.007 0 . . . . . A 925 VAL HG21 . 11471 1 235 . 1 1 24 24 VAL HG22 H 1 1.007 0 . . . . . A 925 VAL HG22 . 11471 1 236 . 1 1 24 24 VAL HG23 H 1 1.007 0 . . . . . A 925 VAL HG23 . 11471 1 237 . 1 1 24 24 VAL CA C 13 58.15 0.04 . . . . . A 925 VAL CA . 11471 1 238 . 1 1 24 24 VAL CB C 13 35.953 0.074 . . . . . A 925 VAL CB . 11471 1 239 . 1 1 24 24 VAL CG1 C 13 21.011 0 . . . . . A 925 VAL CG1 . 11471 1 240 . 1 1 24 24 VAL CG2 C 13 21.491 0 . . . . . A 925 VAL CG2 . 11471 1 241 . 1 1 24 24 VAL N N 15 119.1 0.013 . . . . . A 925 VAL N . 11471 1 242 . 1 1 25 25 HIS H H 1 8.498 0.002 . . . . . A 926 HIS H . 11471 1 243 . 1 1 25 25 HIS HA H 1 3.742 0 . . . . . A 926 HIS HA . 11471 1 244 . 1 1 25 25 HIS HB2 H 1 2.851 0 . . . . . A 926 HIS HB2 . 11471 1 245 . 1 1 25 25 HIS HB3 H 1 2.719 0 . . . . . A 926 HIS HB3 . 11471 1 246 . 1 1 25 25 HIS CA C 13 54.919 0.032 . . . . . A 926 HIS CA . 11471 1 247 . 1 1 25 25 HIS CB C 13 35.66 0.045 . . . . . A 926 HIS CB . 11471 1 248 . 1 1 25 25 HIS N N 15 117.791 0.027 . . . . . A 926 HIS N . 11471 1 249 . 1 1 26 26 TYR H H 1 10.025 0.005 . . . . . A 927 TYR H . 11471 1 250 . 1 1 26 26 TYR HB2 H 1 3.27 0 . . . . . A 927 TYR HB2 . 11471 1 251 . 1 1 26 26 TYR HB3 H 1 3.135 0 . . . . . A 927 TYR HB3 . 11471 1 252 . 1 1 26 26 TYR HE1 H 1 6.189 0.008 . . . . . A 927 TYR HE1 . 11471 1 253 . 1 1 26 26 TYR HE2 H 1 6.189 0.008 . . . . . A 927 TYR HE2 . 11471 1 254 . 1 1 26 26 TYR CA C 13 55.707 0.042 . . . . . A 927 TYR CA . 11471 1 255 . 1 1 26 26 TYR CB C 13 44.864 0.075 . . . . . A 927 TYR CB . 11471 1 256 . 1 1 26 26 TYR CE1 C 13 112.292 0 . . . . . A 927 TYR CE1 . 11471 1 257 . 1 1 26 26 TYR CE2 C 13 112.292 0 . . . . . A 927 TYR CE2 . 11471 1 258 . 1 1 26 26 TYR N N 15 118.552 0.019 . . . . . A 927 TYR N . 11471 1 259 . 1 1 27 27 THR H H 1 8.926 0.002 . . . . . A 928 THR H . 11471 1 260 . 1 1 27 27 THR HA H 1 4.045 0.012 . . . . . A 928 THR HA . 11471 1 261 . 1 1 27 27 THR HB H 1 4.061 0 . . . . . A 928 THR HB . 11471 1 262 . 1 1 27 27 THR HG21 H 1 1.256 0 . . . . . A 928 THR HG21 . 11471 1 263 . 1 1 27 27 THR HG22 H 1 1.256 0 . . . . . A 928 THR HG22 . 11471 1 264 . 1 1 27 27 THR HG23 H 1 1.256 0 . . . . . A 928 THR HG23 . 11471 1 265 . 1 1 27 27 THR CA C 13 62.89 0.194 . . . . . A 928 THR CA . 11471 1 266 . 1 1 27 27 THR CB C 13 72.235 0.044 . . . . . A 928 THR CB . 11471 1 267 . 1 1 27 27 THR N N 15 116.977 0.027 . . . . . A 928 THR N . 11471 1 268 . 1 1 28 28 GLY H H 1 9.325 0.004 . . . . . A 929 GLY H . 11471 1 269 . 1 1 28 28 GLY HA2 H 1 4.152 0.009 . . . . . A 929 GLY HA2 . 11471 1 270 . 1 1 28 28 GLY HA3 H 1 2.37 0.003 . . . . . A 929 GLY HA3 . 11471 1 271 . 1 1 28 28 GLY CA C 13 45.52 0.036 . . . . . A 929 GLY CA . 11471 1 272 . 1 1 28 28 GLY N N 15 115.078 0.011 . . . . . A 929 GLY N . 11471 1 273 . 1 1 29 29 MET H H 1 8.998 0.003 . . . . . A 930 MET H . 11471 1 274 . 1 1 29 29 MET HA H 1 5.094 0.016 . . . . . A 930 MET HA . 11471 1 275 . 1 1 29 29 MET HB2 H 1 1.903 0 . . . . . A 930 MET HB2 . 11471 1 276 . 1 1 29 29 MET HB3 H 1 1.792 0.001 . . . . . A 930 MET HB3 . 11471 1 277 . 1 1 29 29 MET HG2 H 1 2.356 0 . . . . . A 930 MET HG2 . 11471 1 278 . 1 1 29 29 MET HG3 H 1 2.041 0.068 . . . . . A 930 MET HG3 . 11471 1 279 . 1 1 29 29 MET CA C 13 54.204 0.047 . . . . . A 930 MET CA . 11471 1 280 . 1 1 29 29 MET CB C 13 37.825 0.075 . . . . . A 930 MET CB . 11471 1 281 . 1 1 29 29 MET CG C 13 31.559 0.159 . . . . . A 930 MET CG . 11471 1 282 . 1 1 29 29 MET N N 15 124.963 0.01 . . . . . A 930 MET N . 11471 1 283 . 1 1 30 30 LEU H H 1 8.392 0.004 . . . . . A 931 LEU H . 11471 1 284 . 1 1 30 30 LEU HA H 1 4.81 0.003 . . . . . A 931 LEU HA . 11471 1 285 . 1 1 30 30 LEU HB2 H 1 2.23 0.036 . . . . . A 931 LEU HB2 . 11471 1 286 . 1 1 30 30 LEU HB3 H 1 1.932 0.009 . . . . . A 931 LEU HB3 . 11471 1 287 . 1 1 30 30 LEU HG H 1 1.983 0 . . . . . A 931 LEU HG . 11471 1 288 . 1 1 30 30 LEU HD11 H 1 1.072 0.012 . . . . . A 931 LEU HD11 . 11471 1 289 . 1 1 30 30 LEU HD12 H 1 1.072 0.012 . . . . . A 931 LEU HD12 . 11471 1 290 . 1 1 30 30 LEU HD13 H 1 1.072 0.012 . . . . . A 931 LEU HD13 . 11471 1 291 . 1 1 30 30 LEU HD21 H 1 0.931 0 . . . . . A 931 LEU HD21 . 11471 1 292 . 1 1 30 30 LEU HD22 H 1 0.931 0 . . . . . A 931 LEU HD22 . 11471 1 293 . 1 1 30 30 LEU HD23 H 1 0.931 0 . . . . . A 931 LEU HD23 . 11471 1 294 . 1 1 30 30 LEU CA C 13 54.237 0.066 . . . . . A 931 LEU CA . 11471 1 295 . 1 1 30 30 LEU CB C 13 41.7 0.09 . . . . . A 931 LEU CB . 11471 1 296 . 1 1 30 30 LEU CG C 13 27.753 0 . . . . . A 931 LEU CG . 11471 1 297 . 1 1 30 30 LEU CD1 C 13 25.688 0.014 . . . . . A 931 LEU CD1 . 11471 1 298 . 1 1 30 30 LEU CD2 C 13 22.864 0 . . . . . A 931 LEU CD2 . 11471 1 299 . 1 1 30 30 LEU N N 15 119.51 0.011 . . . . . A 931 LEU N . 11471 1 300 . 1 1 31 31 GLU H H 1 8.979 0.004 . . . . . A 932 GLU H . 11471 1 301 . 1 1 31 31 GLU HA H 1 3.825 0.001 . . . . . A 932 GLU HA . 11471 1 302 . 1 1 31 31 GLU HB2 H 1 2.092 0.001 . . . . . A 932 GLU HB2 . 11471 1 303 . 1 1 31 31 GLU HB3 H 1 2.092 0.001 . . . . . A 932 GLU HB3 . 11471 1 304 . 1 1 31 31 GLU HG2 H 1 2.254 0 . . . . . A 932 GLU HG2 . 11471 1 305 . 1 1 31 31 GLU HG3 H 1 2.254 0 . . . . . A 932 GLU HG3 . 11471 1 306 . 1 1 31 31 GLU CA C 13 59.584 0.044 . . . . . A 932 GLU CA . 11471 1 307 . 1 1 31 31 GLU CB C 13 29.899 0.129 . . . . . A 932 GLU CB . 11471 1 308 . 1 1 31 31 GLU CG C 13 36.544 0 . . . . . A 932 GLU CG . 11471 1 309 . 1 1 31 31 GLU N N 15 120.698 0.021 . . . . . A 932 GLU N . 11471 1 310 . 1 1 32 32 ASP H H 1 7.884 0.006 . . . . . A 933 ASP H . 11471 1 311 . 1 1 32 32 ASP HA H 1 4.426 0.01 . . . . . A 933 ASP HA . 11471 1 312 . 1 1 32 32 ASP HB2 H 1 2.602 0.002 . . . . . A 933 ASP HB2 . 11471 1 313 . 1 1 32 32 ASP HB3 H 1 2.997 0.001 . . . . . A 933 ASP HB3 . 11471 1 314 . 1 1 32 32 ASP CA C 13 53.589 0.052 . . . . . A 933 ASP CA . 11471 1 315 . 1 1 32 32 ASP CB C 13 40.058 0.036 . . . . . A 933 ASP CB . 11471 1 316 . 1 1 32 32 ASP N N 15 115.563 0.029 . . . . . A 933 ASP N . 11471 1 317 . 1 1 33 33 GLY H H 1 8.232 0.005 . . . . . A 934 GLY H . 11471 1 318 . 1 1 33 33 GLY HA2 H 1 4.293 0.017 . . . . . A 934 GLY HA2 . 11471 1 319 . 1 1 33 33 GLY HA3 H 1 3.681 0.01 . . . . . A 934 GLY HA3 . 11471 1 320 . 1 1 33 33 GLY CA C 13 44.917 0.037 . . . . . A 934 GLY CA . 11471 1 321 . 1 1 33 33 GLY N N 15 108.513 0.027 . . . . . A 934 GLY N . 11471 1 322 . 1 1 34 34 LYS H H 1 7.876 0.009 . . . . . A 935 LYS H . 11471 1 323 . 1 1 34 34 LYS HA H 1 4.113 0.009 . . . . . A 935 LYS HA . 11471 1 324 . 1 1 34 34 LYS HB2 H 1 1.933 0.021 . . . . . A 935 LYS HB2 . 11471 1 325 . 1 1 34 34 LYS HB3 H 1 1.815 0.001 . . . . . A 935 LYS HB3 . 11471 1 326 . 1 1 34 34 LYS HG2 H 1 1.467 0 . . . . . A 935 LYS HG2 . 11471 1 327 . 1 1 34 34 LYS HG3 H 1 1.324 0 . . . . . A 935 LYS HG3 . 11471 1 328 . 1 1 34 34 LYS HD2 H 1 1.673 0 . . . . . A 935 LYS HD2 . 11471 1 329 . 1 1 34 34 LYS HD3 H 1 1.746 0.006 . . . . . A 935 LYS HD3 . 11471 1 330 . 1 1 34 34 LYS HE2 H 1 3.06 0 . . . . . A 935 LYS HE2 . 11471 1 331 . 1 1 34 34 LYS HE3 H 1 2.993 0 . . . . . A 935 LYS HE3 . 11471 1 332 . 1 1 34 34 LYS CA C 13 57.38 0.069 . . . . . A 935 LYS CA . 11471 1 333 . 1 1 34 34 LYS CB C 13 32.614 0.038 . . . . . A 935 LYS CB . 11471 1 334 . 1 1 34 34 LYS CG C 13 24.972 0 . . . . . A 935 LYS CG . 11471 1 335 . 1 1 34 34 LYS CD C 13 29.144 0.065 . . . . . A 935 LYS CD . 11471 1 336 . 1 1 34 34 LYS CE C 13 42.309 0 . . . . . A 935 LYS CE . 11471 1 337 . 1 1 34 34 LYS N N 15 121.819 0.046 . . . . . A 935 LYS N . 11471 1 338 . 1 1 35 35 LYS H H 1 8.569 0.004 . . . . . A 936 LYS H . 11471 1 339 . 1 1 35 35 LYS HA H 1 4.485 0.012 . . . . . A 936 LYS HA . 11471 1 340 . 1 1 35 35 LYS HB2 H 1 1.738 0.021 . . . . . A 936 LYS HB2 . 11471 1 341 . 1 1 35 35 LYS HB3 H 1 1.698 0.002 . . . . . A 936 LYS HB3 . 11471 1 342 . 1 1 35 35 LYS HG2 H 1 1.424 0 . . . . . A 936 LYS HG2 . 11471 1 343 . 1 1 35 35 LYS HG3 H 1 1.117 0 . . . . . A 936 LYS HG3 . 11471 1 344 . 1 1 35 35 LYS HD2 H 1 1.518 0 . . . . . A 936 LYS HD2 . 11471 1 345 . 1 1 35 35 LYS HD3 H 1 1.439 0 . . . . . A 936 LYS HD3 . 11471 1 346 . 1 1 35 35 LYS HE2 H 1 2.926 0 . . . . . A 936 LYS HE2 . 11471 1 347 . 1 1 35 35 LYS HE3 H 1 2.822 0 . . . . . A 936 LYS HE3 . 11471 1 348 . 1 1 35 35 LYS CA C 13 56.385 0.019 . . . . . A 936 LYS CA . 11471 1 349 . 1 1 35 35 LYS CB C 13 33.061 0.096 . . . . . A 936 LYS CB . 11471 1 350 . 1 1 35 35 LYS CG C 13 24.753 0 . . . . . A 936 LYS CG . 11471 1 351 . 1 1 35 35 LYS CD C 13 29.798 0 . . . . . A 936 LYS CD . 11471 1 352 . 1 1 35 35 LYS CE C 13 41.379 0 . . . . . A 936 LYS CE . 11471 1 353 . 1 1 35 35 LYS N N 15 128.078 0.008 . . . . . A 936 LYS N . 11471 1 354 . 1 1 36 36 PHE H H 1 8.346 0.002 . . . . . A 937 PHE H . 11471 1 355 . 1 1 36 36 PHE HA H 1 5.139 0 . . . . . A 937 PHE HA . 11471 1 356 . 1 1 36 36 PHE HB2 H 1 2.743 0 . . . . . A 937 PHE HB2 . 11471 1 357 . 1 1 36 36 PHE HB3 H 1 3.262 0 . . . . . A 937 PHE HB3 . 11471 1 358 . 1 1 36 36 PHE HD1 H 1 6.948 0.005 . . . . . A 937 PHE HD1 . 11471 1 359 . 1 1 36 36 PHE HD2 H 1 6.948 0.005 . . . . . A 937 PHE HD2 . 11471 1 360 . 1 1 36 36 PHE CA C 13 56.288 0.01 . . . . . A 937 PHE CA . 11471 1 361 . 1 1 36 36 PHE CB C 13 40.788 0.023 . . . . . A 937 PHE CB . 11471 1 362 . 1 1 36 36 PHE CD1 C 13 132.499 0 . . . . . A 937 PHE CD1 . 11471 1 363 . 1 1 36 36 PHE CD2 C 13 132.499 0 . . . . . A 937 PHE CD2 . 11471 1 364 . 1 1 36 36 PHE N N 15 120.67 0.019 . . . . . A 937 PHE N . 11471 1 365 . 1 1 37 37 ASP H H 1 7.015 0.006 . . . . . A 938 ASP H . 11471 1 366 . 1 1 37 37 ASP HA H 1 4.942 0.016 . . . . . A 938 ASP HA . 11471 1 367 . 1 1 37 37 ASP HB2 H 1 3.59 0.017 . . . . . A 938 ASP HB2 . 11471 1 368 . 1 1 37 37 ASP HB3 H 1 2.864 0.011 . . . . . A 938 ASP HB3 . 11471 1 369 . 1 1 37 37 ASP CA C 13 54.538 0.035 . . . . . A 938 ASP CA . 11471 1 370 . 1 1 37 37 ASP CB C 13 43.094 0.085 . . . . . A 938 ASP CB . 11471 1 371 . 1 1 37 37 ASP N N 15 118.405 0.046 . . . . . A 938 ASP N . 11471 1 372 . 1 1 38 38 SER H H 1 8.501 0.005 . . . . . A 939 SER H . 11471 1 373 . 1 1 38 38 SER HA H 1 4.779 0 . . . . . A 939 SER HA . 11471 1 374 . 1 1 38 38 SER HB2 H 1 4.041 0 . . . . . A 939 SER HB2 . 11471 1 375 . 1 1 38 38 SER HB3 H 1 3.645 0.013 . . . . . A 939 SER HB3 . 11471 1 376 . 1 1 38 38 SER CA C 13 56.937 0.035 . . . . . A 939 SER CA . 11471 1 377 . 1 1 38 38 SER CB C 13 65.05 0.067 . . . . . A 939 SER CB . 11471 1 378 . 1 1 38 38 SER N N 15 118.647 0.038 . . . . . A 939 SER N . 11471 1 379 . 1 1 39 39 SER H H 1 8.414 0.002 . . . . . A 940 SER H . 11471 1 380 . 1 1 39 39 SER HA H 1 4.973 0.014 . . . . . A 940 SER HA . 11471 1 381 . 1 1 39 39 SER HB2 H 1 4.087 0.034 . . . . . A 940 SER HB2 . 11471 1 382 . 1 1 39 39 SER HB3 H 1 3.627 0.038 . . . . . A 940 SER HB3 . 11471 1 383 . 1 1 39 39 SER CA C 13 61.705 0.047 . . . . . A 940 SER CA . 11471 1 384 . 1 1 39 39 SER CB C 13 61.821 0.083 . . . . . A 940 SER CB . 11471 1 385 . 1 1 39 39 SER N N 15 125.661 0.026 . . . . . A 940 SER N . 11471 1 386 . 1 1 40 40 ARG H H 1 7.685 0 . . . . . A 941 ARG H . 11471 1 387 . 1 1 40 40 ARG HA H 1 4.072 0 . . . . . A 941 ARG HA . 11471 1 388 . 1 1 40 40 ARG HG2 H 1 1.063 0 . . . . . A 941 ARG HG2 . 11471 1 389 . 1 1 40 40 ARG HG3 H 1 1.063 0 . . . . . A 941 ARG HG3 . 11471 1 390 . 1 1 40 40 ARG HD2 H 1 3.516 0 . . . . . A 941 ARG HD2 . 11471 1 391 . 1 1 40 40 ARG HD3 H 1 3.516 0 . . . . . A 941 ARG HD3 . 11471 1 392 . 1 1 40 40 ARG CA C 13 58.861 0.079 . . . . . A 941 ARG CA . 11471 1 393 . 1 1 40 40 ARG CB C 13 28.85 0.059 . . . . . A 941 ARG CB . 11471 1 394 . 1 1 40 40 ARG N N 15 123.447 0.013 . . . . . A 941 ARG N . 11471 1 395 . 1 1 41 41 ASP H H 1 7.138 0.002 . . . . . A 942 ASP H . 11471 1 396 . 1 1 41 41 ASP HB2 H 1 2.789 0.013 . . . . . A 942 ASP HB2 . 11471 1 397 . 1 1 41 41 ASP HB3 H 1 2.69 0.011 . . . . . A 942 ASP HB3 . 11471 1 398 . 1 1 41 41 ASP CA C 13 56.411 0.002 . . . . . A 942 ASP CA . 11471 1 399 . 1 1 41 41 ASP CB C 13 40.192 0.088 . . . . . A 942 ASP CB . 11471 1 400 . 1 1 41 41 ASP N N 15 118.529 0.027 . . . . . A 942 ASP N . 11471 1 401 . 1 1 42 42 ARG H H 1 6.882 0.002 . . . . . A 943 ARG H . 11471 1 402 . 1 1 42 42 ARG HA H 1 4.505 0.012 . . . . . A 943 ARG HA . 11471 1 403 . 1 1 42 42 ARG HB2 H 1 1.963 0 . . . . . A 943 ARG HB2 . 11471 1 404 . 1 1 42 42 ARG HB3 H 1 1.963 0 . . . . . A 943 ARG HB3 . 11471 1 405 . 1 1 42 42 ARG HG2 H 1 1.745 0.041 . . . . . A 943 ARG HG2 . 11471 1 406 . 1 1 42 42 ARG HG3 H 1 1.745 0.041 . . . . . A 943 ARG HG3 . 11471 1 407 . 1 1 42 42 ARG HD2 H 1 2.88 0 . . . . . A 943 ARG HD2 . 11471 1 408 . 1 1 42 42 ARG HD3 H 1 2.88 0 . . . . . A 943 ARG HD3 . 11471 1 409 . 1 1 42 42 ARG CA C 13 55.684 0.062 . . . . . A 943 ARG CA . 11471 1 410 . 1 1 42 42 ARG CB C 13 31.269 0.046 . . . . . A 943 ARG CB . 11471 1 411 . 1 1 42 42 ARG CG C 13 28.364 0.511 . . . . . A 943 ARG CG . 11471 1 412 . 1 1 42 42 ARG CD C 13 43.055 0 . . . . . A 943 ARG CD . 11471 1 413 . 1 1 42 42 ARG N N 15 114.112 0.013 . . . . . A 943 ARG N . 11471 1 414 . 1 1 43 43 ASN H H 1 7.808 0.001 . . . . . A 944 ASN H . 11471 1 415 . 1 1 43 43 ASN HA H 1 4.394 0.008 . . . . . A 944 ASN HA . 11471 1 416 . 1 1 43 43 ASN HB2 H 1 3.187 0.018 . . . . . A 944 ASN HB2 . 11471 1 417 . 1 1 43 43 ASN HB3 H 1 2.697 0 . . . . . A 944 ASN HB3 . 11471 1 418 . 1 1 43 43 ASN HD21 H 1 6.861 0.004 . . . . . A 944 ASN HD21 . 11471 1 419 . 1 1 43 43 ASN HD22 H 1 7.61 0.006 . . . . . A 944 ASN HD22 . 11471 1 420 . 1 1 43 43 ASN CA C 13 54.05 0.035 . . . . . A 944 ASN CA . 11471 1 421 . 1 1 43 43 ASN CB C 13 37.614 0.067 . . . . . A 944 ASN CB . 11471 1 422 . 1 1 43 43 ASN N N 15 116.253 0.013 . . . . . A 944 ASN N . 11471 1 423 . 1 1 43 43 ASN ND2 N 15 112.457 0.003 . . . . . A 944 ASN ND2 . 11471 1 424 . 1 1 44 44 LYS H H 1 7.425 0.005 . . . . . A 945 LYS H . 11471 1 425 . 1 1 44 44 LYS HA H 1 4.935 0 . . . . . A 945 LYS HA . 11471 1 426 . 1 1 44 44 LYS HG2 H 1 1.464 0 . . . . . A 945 LYS HG2 . 11471 1 427 . 1 1 44 44 LYS HG3 H 1 1.464 0 . . . . . A 945 LYS HG3 . 11471 1 428 . 1 1 44 44 LYS HD2 H 1 1.733 0 . . . . . A 945 LYS HD2 . 11471 1 429 . 1 1 44 44 LYS HD3 H 1 1.733 0 . . . . . A 945 LYS HD3 . 11471 1 430 . 1 1 44 44 LYS CA C 13 53.293 0.096 . . . . . A 945 LYS CA . 11471 1 431 . 1 1 44 44 LYS CB C 13 35.403 0 . . . . . A 945 LYS CB . 11471 1 432 . 1 1 44 44 LYS N N 15 115.872 0.026 . . . . . A 945 LYS N . 11471 1 433 . 1 1 45 45 PRO HA H 1 3.978 0.012 . . . . . A 946 PRO HA . 11471 1 434 . 1 1 45 45 PRO HB2 H 1 1.456 0.007 . . . . . A 946 PRO HB2 . 11471 1 435 . 1 1 45 45 PRO HB3 H 1 1.456 0.007 . . . . . A 946 PRO HB3 . 11471 1 436 . 1 1 45 45 PRO HG2 H 1 1.744 0 . . . . . A 946 PRO HG2 . 11471 1 437 . 1 1 45 45 PRO HG3 H 1 1.303 0 . . . . . A 946 PRO HG3 . 11471 1 438 . 1 1 45 45 PRO HD2 H 1 3.623 0.004 . . . . . A 946 PRO HD2 . 11471 1 439 . 1 1 45 45 PRO HD3 H 1 3.623 0.004 . . . . . A 946 PRO HD3 . 11471 1 440 . 1 1 45 45 PRO CA C 13 63.098 0.056 . . . . . A 946 PRO CA . 11471 1 441 . 1 1 45 45 PRO CB C 13 32.425 0.022 . . . . . A 946 PRO CB . 11471 1 442 . 1 1 45 45 PRO CG C 13 26.771 0 . . . . . A 946 PRO CG . 11471 1 443 . 1 1 45 45 PRO CD C 13 50.59 0 . . . . . A 946 PRO CD . 11471 1 444 . 1 1 46 46 PHE H H 1 9.246 0.003 . . . . . A 947 PHE H . 11471 1 445 . 1 1 46 46 PHE HA H 1 4.816 0.015 . . . . . A 947 PHE HA . 11471 1 446 . 1 1 46 46 PHE HB2 H 1 3.518 0.015 . . . . . A 947 PHE HB2 . 11471 1 447 . 1 1 46 46 PHE HB3 H 1 3.236 0.017 . . . . . A 947 PHE HB3 . 11471 1 448 . 1 1 46 46 PHE CA C 13 57.284 0.129 . . . . . A 947 PHE CA . 11471 1 449 . 1 1 46 46 PHE CB C 13 42.395 0.104 . . . . . A 947 PHE CB . 11471 1 450 . 1 1 46 46 PHE N N 15 124.896 0.029 . . . . . A 947 PHE N . 11471 1 451 . 1 1 47 47 LYS H H 1 7.313 0.005 . . . . . A 948 LYS H . 11471 1 452 . 1 1 47 47 LYS HA H 1 5.698 0.005 . . . . . A 948 LYS HA . 11471 1 453 . 1 1 47 47 LYS HB2 H 1 1.513 0.001 . . . . . A 948 LYS HB2 . 11471 1 454 . 1 1 47 47 LYS HB3 H 1 1.291 0 . . . . . A 948 LYS HB3 . 11471 1 455 . 1 1 47 47 LYS HG2 H 1 1.26 0 . . . . . A 948 LYS HG2 . 11471 1 456 . 1 1 47 47 LYS HG3 H 1 1.132 0 . . . . . A 948 LYS HG3 . 11471 1 457 . 1 1 47 47 LYS HD2 H 1 1.615 0 . . . . . A 948 LYS HD2 . 11471 1 458 . 1 1 47 47 LYS HD3 H 1 1.587 0 . . . . . A 948 LYS HD3 . 11471 1 459 . 1 1 47 47 LYS HE2 H 1 2.839 0 . . . . . A 948 LYS HE2 . 11471 1 460 . 1 1 47 47 LYS HE3 H 1 2.839 0 . . . . . A 948 LYS HE3 . 11471 1 461 . 1 1 47 47 LYS CA C 13 54.171 0.124 . . . . . A 948 LYS CA . 11471 1 462 . 1 1 47 47 LYS CB C 13 35.741 0.037 . . . . . A 948 LYS CB . 11471 1 463 . 1 1 47 47 LYS CG C 13 25.519 0 . . . . . A 948 LYS CG . 11471 1 464 . 1 1 47 47 LYS CD C 13 29.6 0 . . . . . A 948 LYS CD . 11471 1 465 . 1 1 47 47 LYS CE C 13 41.892 0 . . . . . A 948 LYS CE . 11471 1 466 . 1 1 47 47 LYS N N 15 124.366 0.027 . . . . . A 948 LYS N . 11471 1 467 . 1 1 48 48 PHE H H 1 8.108 0.003 . . . . . A 949 PHE H . 11471 1 468 . 1 1 48 48 PHE HA H 1 4.746 0.004 . . . . . A 949 PHE HA . 11471 1 469 . 1 1 48 48 PHE HB2 H 1 3.092 0.039 . . . . . A 949 PHE HB2 . 11471 1 470 . 1 1 48 48 PHE HB3 H 1 2.917 0.019 . . . . . A 949 PHE HB3 . 11471 1 471 . 1 1 48 48 PHE CA C 13 55.699 0.051 . . . . . A 949 PHE CA . 11471 1 472 . 1 1 48 48 PHE CB C 13 41.241 0.056 . . . . . A 949 PHE CB . 11471 1 473 . 1 1 48 48 PHE N N 15 116.166 0.057 . . . . . A 949 PHE N . 11471 1 474 . 1 1 49 49 MET H H 1 9.102 0.005 . . . . . A 950 MET H . 11471 1 475 . 1 1 49 49 MET HA H 1 4.625 0 . . . . . A 950 MET HA . 11471 1 476 . 1 1 49 49 MET HB2 H 1 1.863 0 . . . . . A 950 MET HB2 . 11471 1 477 . 1 1 49 49 MET HB3 H 1 1.808 0 . . . . . A 950 MET HB3 . 11471 1 478 . 1 1 49 49 MET HG2 H 1 2.109 0 . . . . . A 950 MET HG2 . 11471 1 479 . 1 1 49 49 MET HG3 H 1 2.109 0 . . . . . A 950 MET HG3 . 11471 1 480 . 1 1 49 49 MET CA C 13 54.399 0.052 . . . . . A 950 MET CA . 11471 1 481 . 1 1 49 49 MET CB C 13 33.741 0.057 . . . . . A 950 MET CB . 11471 1 482 . 1 1 49 49 MET CG C 13 31.786 0 . . . . . A 950 MET CG . 11471 1 483 . 1 1 49 49 MET N N 15 123.253 0.013 . . . . . A 950 MET N . 11471 1 484 . 1 1 50 50 LEU H H 1 8.338 0.004 . . . . . A 951 LEU H . 11471 1 485 . 1 1 50 50 LEU HA H 1 4.254 0.009 . . . . . A 951 LEU HA . 11471 1 486 . 1 1 50 50 LEU HB2 H 1 1.914 0.011 . . . . . A 951 LEU HB2 . 11471 1 487 . 1 1 50 50 LEU HB3 H 1 1.914 0.011 . . . . . A 951 LEU HB3 . 11471 1 488 . 1 1 50 50 LEU HG H 1 1.642 0 . . . . . A 951 LEU HG . 11471 1 489 . 1 1 50 50 LEU HD11 H 1 0.707 0 . . . . . A 951 LEU HD11 . 11471 1 490 . 1 1 50 50 LEU HD12 H 1 0.707 0 . . . . . A 951 LEU HD12 . 11471 1 491 . 1 1 50 50 LEU HD13 H 1 0.707 0 . . . . . A 951 LEU HD13 . 11471 1 492 . 1 1 50 50 LEU HD21 H 1 1.196 0 . . . . . A 951 LEU HD21 . 11471 1 493 . 1 1 50 50 LEU HD22 H 1 1.196 0 . . . . . A 951 LEU HD22 . 11471 1 494 . 1 1 50 50 LEU HD23 H 1 1.196 0 . . . . . A 951 LEU HD23 . 11471 1 495 . 1 1 50 50 LEU CA C 13 56.806 0.051 . . . . . A 951 LEU CA . 11471 1 496 . 1 1 50 50 LEU CB C 13 42.302 0.026 . . . . . A 951 LEU CB . 11471 1 497 . 1 1 50 50 LEU CG C 13 25.683 0 . . . . . A 951 LEU CG . 11471 1 498 . 1 1 50 50 LEU CD1 C 13 26.113 0 . . . . . A 951 LEU CD1 . 11471 1 499 . 1 1 50 50 LEU CD2 C 13 24.638 0 . . . . . A 951 LEU CD2 . 11471 1 500 . 1 1 50 50 LEU N N 15 130.901 0.058 . . . . . A 951 LEU N . 11471 1 501 . 1 1 51 51 GLY H H 1 10.366 0.005 . . . . . A 952 GLY H . 11471 1 502 . 1 1 51 51 GLY HA2 H 1 4.222 0.023 . . . . . A 952 GLY HA2 . 11471 1 503 . 1 1 51 51 GLY HA3 H 1 3.83 0.011 . . . . . A 952 GLY HA3 . 11471 1 504 . 1 1 51 51 GLY CA C 13 45.843 0.043 . . . . . A 952 GLY CA . 11471 1 505 . 1 1 51 51 GLY N N 15 118.516 0.01 . . . . . A 952 GLY N . 11471 1 506 . 1 1 52 52 LYS H H 1 7.691 0.006 . . . . . A 953 LYS H . 11471 1 507 . 1 1 52 52 LYS HA H 1 4.514 0 . . . . . A 953 LYS HA . 11471 1 508 . 1 1 52 52 LYS HB2 H 1 2.099 0.009 . . . . . A 953 LYS HB2 . 11471 1 509 . 1 1 52 52 LYS HB3 H 1 1.702 0.001 . . . . . A 953 LYS HB3 . 11471 1 510 . 1 1 52 52 LYS HG2 H 1 1.432 0 . . . . . A 953 LYS HG2 . 11471 1 511 . 1 1 52 52 LYS HG3 H 1 1.33 0 . . . . . A 953 LYS HG3 . 11471 1 512 . 1 1 52 52 LYS HD2 H 1 1.75 0 . . . . . A 953 LYS HD2 . 11471 1 513 . 1 1 52 52 LYS HD3 H 1 1.507 0 . . . . . A 953 LYS HD3 . 11471 1 514 . 1 1 52 52 LYS HE2 H 1 2.999 0 . . . . . A 953 LYS HE2 . 11471 1 515 . 1 1 52 52 LYS HE3 H 1 2.999 0 . . . . . A 953 LYS HE3 . 11471 1 516 . 1 1 52 52 LYS CA C 13 54.401 0.042 . . . . . A 953 LYS CA . 11471 1 517 . 1 1 52 52 LYS CB C 13 33.188 0.035 . . . . . A 953 LYS CB . 11471 1 518 . 1 1 52 52 LYS CG C 13 24.629 0 . . . . . A 953 LYS CG . 11471 1 519 . 1 1 52 52 LYS CD C 13 28.196 0 . . . . . A 953 LYS CD . 11471 1 520 . 1 1 52 52 LYS CE C 13 41.955 0 . . . . . A 953 LYS CE . 11471 1 521 . 1 1 52 52 LYS N N 15 119.202 0.085 . . . . . A 953 LYS N . 11471 1 522 . 1 1 53 53 GLN H H 1 9.084 0.004 . . . . . A 954 GLN H . 11471 1 523 . 1 1 53 53 GLN HA H 1 3.885 0 . . . . . A 954 GLN HA . 11471 1 524 . 1 1 53 53 GLN HB2 H 1 2.333 0.002 . . . . . A 954 GLN HB2 . 11471 1 525 . 1 1 53 53 GLN HB3 H 1 2.102 0.003 . . . . . A 954 GLN HB3 . 11471 1 526 . 1 1 53 53 GLN HG2 H 1 2.285 0 . . . . . A 954 GLN HG2 . 11471 1 527 . 1 1 53 53 GLN HG3 H 1 2.194 0 . . . . . A 954 GLN HG3 . 11471 1 528 . 1 1 53 53 GLN HE21 H 1 6.631 0.004 . . . . . A 954 GLN HE21 . 11471 1 529 . 1 1 53 53 GLN HE22 H 1 7.57 0.003 . . . . . A 954 GLN HE22 . 11471 1 530 . 1 1 53 53 GLN CA C 13 57.475 0.063 . . . . . A 954 GLN CA . 11471 1 531 . 1 1 53 53 GLN CB C 13 25.954 0.055 . . . . . A 954 GLN CB . 11471 1 532 . 1 1 53 53 GLN CG C 13 34.874 0.018 . . . . . A 954 GLN CG . 11471 1 533 . 1 1 53 53 GLN N N 15 116.196 0.014 . . . . . A 954 GLN N . 11471 1 534 . 1 1 53 53 GLN NE2 N 15 112.171 0 . . . . . A 954 GLN NE2 . 11471 1 535 . 1 1 54 54 GLU H H 1 9.614 0.002 . . . . . A 955 GLU H . 11471 1 536 . 1 1 54 54 GLU CA C 13 57.678 0 . . . . . A 955 GLU CA . 11471 1 537 . 1 1 54 54 GLU CB C 13 31.212 0 . . . . . A 955 GLU CB . 11471 1 538 . 1 1 54 54 GLU N N 15 119.317 0.006 . . . . . A 955 GLU N . 11471 1 539 . 1 1 55 55 VAL H H 1 6.533 0.005 . . . . . A 956 VAL H . 11471 1 540 . 1 1 55 55 VAL HA H 1 4.57 0.015 . . . . . A 956 VAL HA . 11471 1 541 . 1 1 55 55 VAL HB H 1 1.308 0 . . . . . A 956 VAL HB . 11471 1 542 . 1 1 55 55 VAL HG11 H 1 0.486 0 . . . . . A 956 VAL HG11 . 11471 1 543 . 1 1 55 55 VAL HG12 H 1 0.486 0 . . . . . A 956 VAL HG12 . 11471 1 544 . 1 1 55 55 VAL HG13 H 1 0.486 0 . . . . . A 956 VAL HG13 . 11471 1 545 . 1 1 55 55 VAL HG21 H 1 0.345 0 . . . . . A 956 VAL HG21 . 11471 1 546 . 1 1 55 55 VAL HG22 H 1 0.345 0 . . . . . A 956 VAL HG22 . 11471 1 547 . 1 1 55 55 VAL HG23 H 1 0.345 0 . . . . . A 956 VAL HG23 . 11471 1 548 . 1 1 55 55 VAL CA C 13 56.543 0.025 . . . . . A 956 VAL CA . 11471 1 549 . 1 1 55 55 VAL CB C 13 36.101 0 . . . . . A 956 VAL CB . 11471 1 550 . 1 1 55 55 VAL CG1 C 13 19.481 0 . . . . . A 956 VAL CG1 . 11471 1 551 . 1 1 55 55 VAL CG2 C 13 21.26 0 . . . . . A 956 VAL CG2 . 11471 1 552 . 1 1 55 55 VAL N N 15 138.355 0.02 . . . . . A 956 VAL N . 11471 1 553 . 1 1 56 56 ILE H H 1 7.098 0.001 . . . . . A 957 ILE H . 11471 1 554 . 1 1 56 56 ILE HA H 1 3.875 0 . . . . . A 957 ILE HA . 11471 1 555 . 1 1 56 56 ILE HB H 1 2.283 0 . . . . . A 957 ILE HB . 11471 1 556 . 1 1 56 56 ILE HG12 H 1 1.339 0 . . . . . A 957 ILE HG12 . 11471 1 557 . 1 1 56 56 ILE HG13 H 1 1.339 0 . . . . . A 957 ILE HG13 . 11471 1 558 . 1 1 56 56 ILE HG21 H 1 0.262 0 . . . . . A 957 ILE HG21 . 11471 1 559 . 1 1 56 56 ILE HG22 H 1 0.262 0 . . . . . A 957 ILE HG22 . 11471 1 560 . 1 1 56 56 ILE HG23 H 1 0.262 0 . . . . . A 957 ILE HG23 . 11471 1 561 . 1 1 56 56 ILE HD11 H 1 0.782 0 . . . . . A 957 ILE HD11 . 11471 1 562 . 1 1 56 56 ILE HD12 H 1 0.782 0 . . . . . A 957 ILE HD12 . 11471 1 563 . 1 1 56 56 ILE HD13 H 1 0.782 0 . . . . . A 957 ILE HD13 . 11471 1 564 . 1 1 56 56 ILE CA C 13 61.854 0.107 . . . . . A 957 ILE CA . 11471 1 565 . 1 1 56 56 ILE CB C 13 38.515 0.054 . . . . . A 957 ILE CB . 11471 1 566 . 1 1 56 56 ILE CG1 C 13 25.459 0 . . . . . A 957 ILE CG1 . 11471 1 567 . 1 1 56 56 ILE CG2 C 13 18.507 0 . . . . . A 957 ILE CG2 . 11471 1 568 . 1 1 56 56 ILE CD1 C 13 13.831 0 . . . . . A 957 ILE CD1 . 11471 1 569 . 1 1 56 56 ILE N N 15 108.717 0.035 . . . . . A 957 ILE N . 11471 1 570 . 1 1 57 57 ARG H H 1 8.726 0.002 . . . . . A 958 ARG H . 11471 1 571 . 1 1 57 57 ARG HA H 1 4.011 0 . . . . . A 958 ARG HA . 11471 1 572 . 1 1 57 57 ARG HB2 H 1 1.781 0 . . . . . A 958 ARG HB2 . 11471 1 573 . 1 1 57 57 ARG HB3 H 1 1.43 0 . . . . . A 958 ARG HB3 . 11471 1 574 . 1 1 57 57 ARG HG2 H 1 1.613 0 . . . . . A 958 ARG HG2 . 11471 1 575 . 1 1 57 57 ARG HG3 H 1 1.155 0 . . . . . A 958 ARG HG3 . 11471 1 576 . 1 1 57 57 ARG HD2 H 1 2.83 0 . . . . . A 958 ARG HD2 . 11471 1 577 . 1 1 57 57 ARG HD3 H 1 2.22 0 . . . . . A 958 ARG HD3 . 11471 1 578 . 1 1 57 57 ARG CA C 13 59.972 0.05 . . . . . A 958 ARG CA . 11471 1 579 . 1 1 57 57 ARG CB C 13 30.545 0.063 . . . . . A 958 ARG CB . 11471 1 580 . 1 1 57 57 ARG CG C 13 26.897 0 . . . . . A 958 ARG CG . 11471 1 581 . 1 1 57 57 ARG CD C 13 43.52 0 . . . . . A 958 ARG CD . 11471 1 582 . 1 1 57 57 ARG N N 15 125.386 0.021 . . . . . A 958 ARG N . 11471 1 583 . 1 1 58 58 GLY H H 1 9.714 0.002 . . . . . A 959 GLY H . 11471 1 584 . 1 1 58 58 GLY HA2 H 1 3.953 0 . . . . . A 959 GLY HA2 . 11471 1 585 . 1 1 58 58 GLY HA3 H 1 3.824 0 . . . . . A 959 GLY HA3 . 11471 1 586 . 1 1 58 58 GLY CA C 13 47.762 0.1 . . . . . A 959 GLY CA . 11471 1 587 . 1 1 58 58 GLY N N 15 101.643 0.002 . . . . . A 959 GLY N . 11471 1 588 . 1 1 59 59 TRP H H 1 7.738 0.001 . . . . . A 960 TRP H . 11471 1 589 . 1 1 59 59 TRP HA H 1 4.048 0 . . . . . A 960 TRP HA . 11471 1 590 . 1 1 59 59 TRP HB2 H 1 3.002 0 . . . . . A 960 TRP HB2 . 11471 1 591 . 1 1 59 59 TRP HB3 H 1 2.62 0 . . . . . A 960 TRP HB3 . 11471 1 592 . 1 1 59 59 TRP HE1 H 1 10.179 0 . . . . . A 960 TRP HE1 . 11471 1 593 . 1 1 59 59 TRP CA C 13 62.02 0.028 . . . . . A 960 TRP CA . 11471 1 594 . 1 1 59 59 TRP CB C 13 28.168 0.043 . . . . . A 960 TRP CB . 11471 1 595 . 1 1 59 59 TRP N N 15 119.555 0.018 . . . . . A 960 TRP N . 11471 1 596 . 1 1 59 59 TRP NE1 N 15 129.939 0 . . . . . A 960 TRP NE1 . 11471 1 597 . 1 1 60 60 GLU H H 1 7.521 0.004 . . . . . A 961 GLU H . 11471 1 598 . 1 1 60 60 GLU HA H 1 4.239 0.013 . . . . . A 961 GLU HA . 11471 1 599 . 1 1 60 60 GLU HB2 H 1 2.129 0.01 . . . . . A 961 GLU HB2 . 11471 1 600 . 1 1 60 60 GLU HB3 H 1 2.26 0.002 . . . . . A 961 GLU HB3 . 11471 1 601 . 1 1 60 60 GLU HG2 H 1 2.266 0.014 . . . . . A 961 GLU HG2 . 11471 1 602 . 1 1 60 60 GLU HG3 H 1 2.391 0.004 . . . . . A 961 GLU HG3 . 11471 1 603 . 1 1 60 60 GLU CA C 13 60.363 0.036 . . . . . A 961 GLU CA . 11471 1 604 . 1 1 60 60 GLU CB C 13 29.873 0.06 . . . . . A 961 GLU CB . 11471 1 605 . 1 1 60 60 GLU CG C 13 36.692 0.103 . . . . . A 961 GLU CG . 11471 1 606 . 1 1 60 60 GLU N N 15 118.467 0.021 . . . . . A 961 GLU N . 11471 1 607 . 1 1 61 61 GLU H H 1 8.333 0.004 . . . . . A 962 GLU H . 11471 1 608 . 1 1 61 61 GLU HA H 1 4.264 0 . . . . . A 962 GLU HA . 11471 1 609 . 1 1 61 61 GLU HB2 H 1 1.841 0 . . . . . A 962 GLU HB2 . 11471 1 610 . 1 1 61 61 GLU HB3 H 1 2.153 0 . . . . . A 962 GLU HB3 . 11471 1 611 . 1 1 61 61 GLU HG2 H 1 2.258 0 . . . . . A 962 GLU HG2 . 11471 1 612 . 1 1 61 61 GLU HG3 H 1 2.388 0 . . . . . A 962 GLU HG3 . 11471 1 613 . 1 1 61 61 GLU CA C 13 58.06 0.032 . . . . . A 962 GLU CA . 11471 1 614 . 1 1 61 61 GLU CB C 13 30.117 0.009 . . . . . A 962 GLU CB . 11471 1 615 . 1 1 61 61 GLU CG C 13 36.817 0 . . . . . A 962 GLU CG . 11471 1 616 . 1 1 61 61 GLU N N 15 112.49 0.03 . . . . . A 962 GLU N . 11471 1 617 . 1 1 62 62 GLY H H 1 7.782 0.003 . . . . . A 963 GLY H . 11471 1 618 . 1 1 62 62 GLY HA2 H 1 3.695 0 . . . . . A 963 GLY HA2 . 11471 1 619 . 1 1 62 62 GLY HA3 H 1 3.572 0 . . . . . A 963 GLY HA3 . 11471 1 620 . 1 1 62 62 GLY CA C 13 47.028 0.049 . . . . . A 963 GLY CA . 11471 1 621 . 1 1 62 62 GLY N N 15 107.837 0.017 . . . . . A 963 GLY N . 11471 1 622 . 1 1 63 63 VAL H H 1 8.909 0.007 . . . . . A 964 VAL H . 11471 1 623 . 1 1 63 63 VAL HA H 1 3.701 0.003 . . . . . A 964 VAL HA . 11471 1 624 . 1 1 63 63 VAL HB H 1 2.219 0.004 . . . . . A 964 VAL HB . 11471 1 625 . 1 1 63 63 VAL HG11 H 1 1.062 0.023 . . . . . A 964 VAL HG11 . 11471 1 626 . 1 1 63 63 VAL HG12 H 1 1.062 0.023 . . . . . A 964 VAL HG12 . 11471 1 627 . 1 1 63 63 VAL HG13 H 1 1.062 0.023 . . . . . A 964 VAL HG13 . 11471 1 628 . 1 1 63 63 VAL HG21 H 1 0.681 0.003 . . . . . A 964 VAL HG21 . 11471 1 629 . 1 1 63 63 VAL HG22 H 1 0.681 0.003 . . . . . A 964 VAL HG22 . 11471 1 630 . 1 1 63 63 VAL HG23 H 1 0.681 0.003 . . . . . A 964 VAL HG23 . 11471 1 631 . 1 1 63 63 VAL CA C 13 65.648 0.039 . . . . . A 964 VAL CA . 11471 1 632 . 1 1 63 63 VAL CB C 13 30.764 0.036 . . . . . A 964 VAL CB . 11471 1 633 . 1 1 63 63 VAL CG1 C 13 22.341 0.038 . . . . . A 964 VAL CG1 . 11471 1 634 . 1 1 63 63 VAL CG2 C 13 23.153 0.046 . . . . . A 964 VAL CG2 . 11471 1 635 . 1 1 63 63 VAL N N 15 120.937 0.043 . . . . . A 964 VAL N . 11471 1 636 . 1 1 64 64 ALA H H 1 6.543 0.002 . . . . . A 965 ALA H . 11471 1 637 . 1 1 64 64 ALA HA H 1 4.022 0.004 . . . . . A 965 ALA HA . 11471 1 638 . 1 1 64 64 ALA HB1 H 1 1.587 0 . . . . . A 965 ALA HB1 . 11471 1 639 . 1 1 64 64 ALA HB2 H 1 1.587 0 . . . . . A 965 ALA HB2 . 11471 1 640 . 1 1 64 64 ALA HB3 H 1 1.587 0 . . . . . A 965 ALA HB3 . 11471 1 641 . 1 1 64 64 ALA CA C 13 54.531 0.043 . . . . . A 965 ALA CA . 11471 1 642 . 1 1 64 64 ALA CB C 13 18.939 0.072 . . . . . A 965 ALA CB . 11471 1 643 . 1 1 64 64 ALA N N 15 115.471 0.005 . . . . . A 965 ALA N . 11471 1 644 . 1 1 65 65 GLN H H 1 7.067 0.009 . . . . . A 966 GLN H . 11471 1 645 . 1 1 65 65 GLN HA H 1 4.316 0.003 . . . . . A 966 GLN HA . 11471 1 646 . 1 1 65 65 GLN HB2 H 1 2.367 0.016 . . . . . A 966 GLN HB2 . 11471 1 647 . 1 1 65 65 GLN HB3 H 1 2.101 0.001 . . . . . A 966 GLN HB3 . 11471 1 648 . 1 1 65 65 GLN HG2 H 1 2.541 0.004 . . . . . A 966 GLN HG2 . 11471 1 649 . 1 1 65 65 GLN HG3 H 1 2.356 0.002 . . . . . A 966 GLN HG3 . 11471 1 650 . 1 1 65 65 GLN HE21 H 1 7.061 0.001 . . . . . A 966 GLN HE21 . 11471 1 651 . 1 1 65 65 GLN HE22 H 1 7.224 0.006 . . . . . A 966 GLN HE22 . 11471 1 652 . 1 1 65 65 GLN CA C 13 55.603 0.036 . . . . . A 966 GLN CA . 11471 1 653 . 1 1 65 65 GLN CB C 13 29.978 0.04 . . . . . A 966 GLN CB . 11471 1 654 . 1 1 65 65 GLN CG C 13 34.373 0.05 . . . . . A 966 GLN CG . 11471 1 655 . 1 1 65 65 GLN N N 15 111.968 0.034 . . . . . A 966 GLN N . 11471 1 656 . 1 1 65 65 GLN NE2 N 15 111.351 0.001 . . . . . A 966 GLN NE2 . 11471 1 657 . 1 1 66 66 MET H H 1 7.887 0.003 . . . . . A 967 MET H . 11471 1 658 . 1 1 66 66 MET HA H 1 4.777 0.006 . . . . . A 967 MET HA . 11471 1 659 . 1 1 66 66 MET HB2 H 1 2.103 0.003 . . . . . A 967 MET HB2 . 11471 1 660 . 1 1 66 66 MET HB3 H 1 2.103 0.003 . . . . . A 967 MET HB3 . 11471 1 661 . 1 1 66 66 MET HG2 H 1 2.683 0 . . . . . A 967 MET HG2 . 11471 1 662 . 1 1 66 66 MET HG3 H 1 1.875 0 . . . . . A 967 MET HG3 . 11471 1 663 . 1 1 66 66 MET HE1 H 1 1.816 0 . . . . . A 967 MET HE1 . 11471 1 664 . 1 1 66 66 MET HE2 H 1 1.816 0 . . . . . A 967 MET HE2 . 11471 1 665 . 1 1 66 66 MET HE3 H 1 1.816 0 . . . . . A 967 MET HE3 . 11471 1 666 . 1 1 66 66 MET CA C 13 55.07 0.036 . . . . . A 967 MET CA . 11471 1 667 . 1 1 66 66 MET CB C 13 35.386 0.029 . . . . . A 967 MET CB . 11471 1 668 . 1 1 66 66 MET CG C 13 31.432 0 . . . . . A 967 MET CG . 11471 1 669 . 1 1 66 66 MET CE C 13 17.497 0 . . . . . A 967 MET CE . 11471 1 670 . 1 1 66 66 MET N N 15 122.161 0.007 . . . . . A 967 MET N . 11471 1 671 . 1 1 67 67 SER H H 1 8.188 0.002 . . . . . A 968 SER H . 11471 1 672 . 1 1 67 67 SER HA H 1 4.819 0 . . . . . A 968 SER HA . 11471 1 673 . 1 1 67 67 SER HB2 H 1 3.683 0 . . . . . A 968 SER HB2 . 11471 1 674 . 1 1 67 67 SER HB3 H 1 2.364 0 . . . . . A 968 SER HB3 . 11471 1 675 . 1 1 67 67 SER CA C 13 54.426 0.068 . . . . . A 968 SER CA . 11471 1 676 . 1 1 67 67 SER CB C 13 65.997 0.048 . . . . . A 968 SER CB . 11471 1 677 . 1 1 67 67 SER N N 15 107.731 0.028 . . . . . A 968 SER N . 11471 1 678 . 1 1 68 68 VAL H H 1 7.692 0.015 . . . . . A 969 VAL H . 11471 1 679 . 1 1 68 68 VAL HA H 1 3.116 0.009 . . . . . A 969 VAL HA . 11471 1 680 . 1 1 68 68 VAL HB H 1 1.814 0 . . . . . A 969 VAL HB . 11471 1 681 . 1 1 68 68 VAL HG11 H 1 0.837 0 . . . . . A 969 VAL HG11 . 11471 1 682 . 1 1 68 68 VAL HG12 H 1 0.837 0 . . . . . A 969 VAL HG12 . 11471 1 683 . 1 1 68 68 VAL HG13 H 1 0.837 0 . . . . . A 969 VAL HG13 . 11471 1 684 . 1 1 68 68 VAL HG21 H 1 0.876 0 . . . . . A 969 VAL HG21 . 11471 1 685 . 1 1 68 68 VAL HG22 H 1 0.876 0 . . . . . A 969 VAL HG22 . 11471 1 686 . 1 1 68 68 VAL HG23 H 1 0.876 0 . . . . . A 969 VAL HG23 . 11471 1 687 . 1 1 68 68 VAL CA C 13 66.889 0.055 . . . . . A 969 VAL CA . 11471 1 688 . 1 1 68 68 VAL CB C 13 31.481 0.06 . . . . . A 969 VAL CB . 11471 1 689 . 1 1 68 68 VAL CG1 C 13 21.463 0.01 . . . . . A 969 VAL CG1 . 11471 1 690 . 1 1 68 68 VAL CG2 C 13 23.271 0 . . . . . A 969 VAL CG2 . 11471 1 691 . 1 1 68 68 VAL N N 15 119.333 0.006 . . . . . A 969 VAL N . 11471 1 692 . 1 1 69 69 GLY H H 1 8.846 0.006 . . . . . A 970 GLY H . 11471 1 693 . 1 1 69 69 GLY HA2 H 1 4.402 0.018 . . . . . A 970 GLY HA2 . 11471 1 694 . 1 1 69 69 GLY HA3 H 1 3.859 0 . . . . . A 970 GLY HA3 . 11471 1 695 . 1 1 69 69 GLY CA C 13 44.401 0.035 . . . . . A 970 GLY CA . 11471 1 696 . 1 1 69 69 GLY N N 15 116.982 0.036 . . . . . A 970 GLY N . 11471 1 697 . 1 1 70 70 GLN H H 1 8.637 0.004 . . . . . A 971 GLN H . 11471 1 698 . 1 1 70 70 GLN HA H 1 4.058 0.012 . . . . . A 971 GLN HA . 11471 1 699 . 1 1 70 70 GLN HB2 H 1 2.182 0 . . . . . A 971 GLN HB2 . 11471 1 700 . 1 1 70 70 GLN HB3 H 1 2.182 0 . . . . . A 971 GLN HB3 . 11471 1 701 . 1 1 70 70 GLN HG2 H 1 2.931 0 . . . . . A 971 GLN HG2 . 11471 1 702 . 1 1 70 70 GLN HG3 H 1 2.151 0 . . . . . A 971 GLN HG3 . 11471 1 703 . 1 1 70 70 GLN HE21 H 1 6.47 0 . . . . . A 971 GLN HE21 . 11471 1 704 . 1 1 70 70 GLN HE22 H 1 7.613 0 . . . . . A 971 GLN HE22 . 11471 1 705 . 1 1 70 70 GLN CA C 13 55.728 0.028 . . . . . A 971 GLN CA . 11471 1 706 . 1 1 70 70 GLN CB C 13 30.593 0.027 . . . . . A 971 GLN CB . 11471 1 707 . 1 1 70 70 GLN CG C 13 33.408 0 . . . . . A 971 GLN CG . 11471 1 708 . 1 1 70 70 GLN N N 15 123.175 0.037 . . . . . A 971 GLN N . 11471 1 709 . 1 1 70 70 GLN NE2 N 15 108.553 0.001 . . . . . A 971 GLN NE2 . 11471 1 710 . 1 1 71 71 ARG H H 1 8.84 0.007 . . . . . A 972 ARG H . 11471 1 711 . 1 1 71 71 ARG HA H 1 5.626 0.009 . . . . . A 972 ARG HA . 11471 1 712 . 1 1 71 71 ARG HB2 H 1 1.543 0 . . . . . A 972 ARG HB2 . 11471 1 713 . 1 1 71 71 ARG HB3 H 1 1.86 0.039 . . . . . A 972 ARG HB3 . 11471 1 714 . 1 1 71 71 ARG HG2 H 1 1.517 0 . . . . . A 972 ARG HG2 . 11471 1 715 . 1 1 71 71 ARG HG3 H 1 1.423 0 . . . . . A 972 ARG HG3 . 11471 1 716 . 1 1 71 71 ARG HD2 H 1 2.982 0 . . . . . A 972 ARG HD2 . 11471 1 717 . 1 1 71 71 ARG HD3 H 1 2.907 0 . . . . . A 972 ARG HD3 . 11471 1 718 . 1 1 71 71 ARG CA C 13 53.937 0.072 . . . . . A 972 ARG CA . 11471 1 719 . 1 1 71 71 ARG CB C 13 33.754 0.084 . . . . . A 972 ARG CB . 11471 1 720 . 1 1 71 71 ARG CG C 13 26.947 0 . . . . . A 972 ARG CG . 11471 1 721 . 1 1 71 71 ARG CD C 13 44.327 0 . . . . . A 972 ARG CD . 11471 1 722 . 1 1 71 71 ARG N N 15 124.835 0.036 . . . . . A 972 ARG N . 11471 1 723 . 1 1 72 72 ALA H H 1 9.962 0.004 . . . . . A 973 ALA H . 11471 1 724 . 1 1 72 72 ALA HA H 1 5.131 0.023 . . . . . A 973 ALA HA . 11471 1 725 . 1 1 72 72 ALA HB1 H 1 1.246 0.012 . . . . . A 973 ALA HB1 . 11471 1 726 . 1 1 72 72 ALA HB2 H 1 1.246 0.012 . . . . . A 973 ALA HB2 . 11471 1 727 . 1 1 72 72 ALA HB3 H 1 1.246 0.012 . . . . . A 973 ALA HB3 . 11471 1 728 . 1 1 72 72 ALA CA C 13 50.984 0.023 . . . . . A 973 ALA CA . 11471 1 729 . 1 1 72 72 ALA CB C 13 23.539 0.095 . . . . . A 973 ALA CB . 11471 1 730 . 1 1 72 72 ALA N N 15 131.232 0.02 . . . . . A 973 ALA N . 11471 1 731 . 1 1 73 73 LYS H H 1 9.213 0.008 . . . . . A 974 LYS H . 11471 1 732 . 1 1 73 73 LYS HA H 1 5.098 0.005 . . . . . A 974 LYS HA . 11471 1 733 . 1 1 73 73 LYS HB2 H 1 1.736 0.003 . . . . . A 974 LYS HB2 . 11471 1 734 . 1 1 73 73 LYS HB3 H 1 1.607 0.001 . . . . . A 974 LYS HB3 . 11471 1 735 . 1 1 73 73 LYS HG2 H 1 1.265 0 . . . . . A 974 LYS HG2 . 11471 1 736 . 1 1 73 73 LYS HG3 H 1 1.123 0 . . . . . A 974 LYS HG3 . 11471 1 737 . 1 1 73 73 LYS HD2 H 1 1.57 0 . . . . . A 974 LYS HD2 . 11471 1 738 . 1 1 73 73 LYS HD3 H 1 1.57 0 . . . . . A 974 LYS HD3 . 11471 1 739 . 1 1 73 73 LYS HE2 H 1 2.779 0 . . . . . A 974 LYS HE2 . 11471 1 740 . 1 1 73 73 LYS HE3 H 1 2.779 0 . . . . . A 974 LYS HE3 . 11471 1 741 . 1 1 73 73 LYS CA C 13 54.878 0.03 . . . . . A 974 LYS CA . 11471 1 742 . 1 1 73 73 LYS CB C 13 34.403 0.083 . . . . . A 974 LYS CB . 11471 1 743 . 1 1 73 73 LYS CG C 13 25.465 0 . . . . . A 974 LYS CG . 11471 1 744 . 1 1 73 73 LYS CD C 13 29.41 0 . . . . . A 974 LYS CD . 11471 1 745 . 1 1 73 73 LYS CE C 13 41.79 0 . . . . . A 974 LYS CE . 11471 1 746 . 1 1 73 73 LYS N N 15 120.513 0.006 . . . . . A 974 LYS N . 11471 1 747 . 1 1 74 74 LEU H H 1 9.978 0.004 . . . . . A 975 LEU H . 11471 1 748 . 1 1 74 74 LEU HA H 1 5.385 0 . . . . . A 975 LEU HA . 11471 1 749 . 1 1 74 74 LEU HB2 H 1 1.738 0 . . . . . A 975 LEU HB2 . 11471 1 750 . 1 1 74 74 LEU HB3 H 1 1.234 0 . . . . . A 975 LEU HB3 . 11471 1 751 . 1 1 74 74 LEU HG H 1 1.512 0 . . . . . A 975 LEU HG . 11471 1 752 . 1 1 74 74 LEU HD11 H 1 0.446 0 . . . . . A 975 LEU HD11 . 11471 1 753 . 1 1 74 74 LEU HD12 H 1 0.446 0 . . . . . A 975 LEU HD12 . 11471 1 754 . 1 1 74 74 LEU HD13 H 1 0.446 0 . . . . . A 975 LEU HD13 . 11471 1 755 . 1 1 74 74 LEU HD21 H 1 0.473 0 . . . . . A 975 LEU HD21 . 11471 1 756 . 1 1 74 74 LEU HD22 H 1 0.473 0 . . . . . A 975 LEU HD22 . 11471 1 757 . 1 1 74 74 LEU HD23 H 1 0.473 0 . . . . . A 975 LEU HD23 . 11471 1 758 . 1 1 74 74 LEU CA C 13 53.43 0.082 . . . . . A 975 LEU CA . 11471 1 759 . 1 1 74 74 LEU CB C 13 43.414 0.055 . . . . . A 975 LEU CB . 11471 1 760 . 1 1 74 74 LEU CG C 13 28.486 0 . . . . . A 975 LEU CG . 11471 1 761 . 1 1 74 74 LEU CD1 C 13 24.708 0 . . . . . A 975 LEU CD1 . 11471 1 762 . 1 1 74 74 LEU CD2 C 13 25.308 0 . . . . . A 975 LEU CD2 . 11471 1 763 . 1 1 74 74 LEU N N 15 130.561 0.018 . . . . . A 975 LEU N . 11471 1 764 . 1 1 75 75 THR H H 1 8.862 0.009 . . . . . A 976 THR H . 11471 1 765 . 1 1 75 75 THR HA H 1 5.043 0.024 . . . . . A 976 THR HA . 11471 1 766 . 1 1 75 75 THR HB H 1 3.972 0.019 . . . . . A 976 THR HB . 11471 1 767 . 1 1 75 75 THR HG21 H 1 1.022 0 . . . . . A 976 THR HG21 . 11471 1 768 . 1 1 75 75 THR HG22 H 1 1.022 0 . . . . . A 976 THR HG22 . 11471 1 769 . 1 1 75 75 THR HG23 H 1 1.022 0 . . . . . A 976 THR HG23 . 11471 1 770 . 1 1 75 75 THR CA C 13 63.238 0.085 . . . . . A 976 THR CA . 11471 1 771 . 1 1 75 75 THR CB C 13 68.728 0.045 . . . . . A 976 THR CB . 11471 1 772 . 1 1 75 75 THR CG2 C 13 21.008 0 . . . . . A 976 THR CG2 . 11471 1 773 . 1 1 75 75 THR N N 15 122.018 0.017 . . . . . A 976 THR N . 11471 1 774 . 1 1 76 76 ILE H H 1 9.925 0.004 . . . . . A 977 ILE H . 11471 1 775 . 1 1 76 76 ILE HA H 1 4.698 0 . . . . . A 977 ILE HA . 11471 1 776 . 1 1 76 76 ILE HB H 1 1.852 0.001 . . . . . A 977 ILE HB . 11471 1 777 . 1 1 76 76 ILE HG12 H 1 0.828 0 . . . . . A 977 ILE HG12 . 11471 1 778 . 1 1 76 76 ILE HG13 H 1 1.823 0 . . . . . A 977 ILE HG13 . 11471 1 779 . 1 1 76 76 ILE HG21 H 1 1.2 0 . . . . . A 977 ILE HG21 . 11471 1 780 . 1 1 76 76 ILE HG22 H 1 1.2 0 . . . . . A 977 ILE HG22 . 11471 1 781 . 1 1 76 76 ILE HG23 H 1 1.2 0 . . . . . A 977 ILE HG23 . 11471 1 782 . 1 1 76 76 ILE HD11 H 1 1.007 0 . . . . . A 977 ILE HD11 . 11471 1 783 . 1 1 76 76 ILE HD12 H 1 1.007 0 . . . . . A 977 ILE HD12 . 11471 1 784 . 1 1 76 76 ILE HD13 H 1 1.007 0 . . . . . A 977 ILE HD13 . 11471 1 785 . 1 1 76 76 ILE CA C 13 60.867 0.078 . . . . . A 977 ILE CA . 11471 1 786 . 1 1 76 76 ILE CB C 13 41.376 0.03 . . . . . A 977 ILE CB . 11471 1 787 . 1 1 76 76 ILE CG1 C 13 27.679 0 . . . . . A 977 ILE CG1 . 11471 1 788 . 1 1 76 76 ILE CG2 C 13 20.833 0 . . . . . A 977 ILE CG2 . 11471 1 789 . 1 1 76 76 ILE CD1 C 13 15.733 0 . . . . . A 977 ILE CD1 . 11471 1 790 . 1 1 76 76 ILE N N 15 129.323 0.018 . . . . . A 977 ILE N . 11471 1 791 . 1 1 77 77 SER H H 1 8.692 0.003 . . . . . A 978 SER H . 11471 1 792 . 1 1 77 77 SER HA H 1 4.699 0.011 . . . . . A 978 SER HA . 11471 1 793 . 1 1 77 77 SER HB2 H 1 4.23 0.02 . . . . . A 978 SER HB2 . 11471 1 794 . 1 1 77 77 SER HB3 H 1 4.017 0.008 . . . . . A 978 SER HB3 . 11471 1 795 . 1 1 77 77 SER CA C 13 57.643 0.06 . . . . . A 978 SER CA . 11471 1 796 . 1 1 77 77 SER CB C 13 62.564 0.018 . . . . . A 978 SER CB . 11471 1 797 . 1 1 77 77 SER N N 15 123.403 0.021 . . . . . A 978 SER N . 11471 1 798 . 1 1 78 78 PRO HA H 1 4.523 0.002 . . . . . A 979 PRO HA . 11471 1 799 . 1 1 78 78 PRO HB2 H 1 2.101 0 . . . . . A 979 PRO HB2 . 11471 1 800 . 1 1 78 78 PRO HB3 H 1 2.101 0 . . . . . A 979 PRO HB3 . 11471 1 801 . 1 1 78 78 PRO HG2 H 1 1.753 0 . . . . . A 979 PRO HG2 . 11471 1 802 . 1 1 78 78 PRO HG3 H 1 1.753 0 . . . . . A 979 PRO HG3 . 11471 1 803 . 1 1 78 78 PRO HD2 H 1 3.828 0.008 . . . . . A 979 PRO HD2 . 11471 1 804 . 1 1 78 78 PRO HD3 H 1 3.828 0.008 . . . . . A 979 PRO HD3 . 11471 1 805 . 1 1 78 78 PRO CA C 13 65.731 0 . . . . . A 979 PRO CA . 11471 1 806 . 1 1 78 78 PRO CB C 13 30.837 0.033 . . . . . A 979 PRO CB . 11471 1 807 . 1 1 78 78 PRO CG C 13 27.635 0 . . . . . A 979 PRO CG . 11471 1 808 . 1 1 78 78 PRO CD C 13 49.868 0.056 . . . . . A 979 PRO CD . 11471 1 809 . 1 1 79 79 ASP H H 1 8.786 0.01 . . . . . A 980 ASP H . 11471 1 810 . 1 1 79 79 ASP HA H 1 4.427 0.015 . . . . . A 980 ASP HA . 11471 1 811 . 1 1 79 79 ASP HB2 H 1 2.713 0.067 . . . . . A 980 ASP HB2 . 11471 1 812 . 1 1 79 79 ASP HB3 H 1 2.612 0.029 . . . . . A 980 ASP HB3 . 11471 1 813 . 1 1 79 79 ASP CA C 13 56.325 0.049 . . . . . A 980 ASP CA . 11471 1 814 . 1 1 79 79 ASP CB C 13 39.531 0.08 . . . . . A 980 ASP CB . 11471 1 815 . 1 1 79 79 ASP N N 15 115.982 0.009 . . . . . A 980 ASP N . 11471 1 816 . 1 1 80 80 TYR H H 1 8.148 0.007 . . . . . A 981 TYR H . 11471 1 817 . 1 1 80 80 TYR HA H 1 4.445 0.009 . . . . . A 981 TYR HA . 11471 1 818 . 1 1 80 80 TYR HB2 H 1 3.025 0.026 . . . . . A 981 TYR HB2 . 11471 1 819 . 1 1 80 80 TYR HB3 H 1 2.795 0.01 . . . . . A 981 TYR HB3 . 11471 1 820 . 1 1 80 80 TYR HD1 H 1 6.691 0.016 . . . . . A 981 TYR HD1 . 11471 1 821 . 1 1 80 80 TYR HD2 H 1 6.691 0.016 . . . . . A 981 TYR HD2 . 11471 1 822 . 1 1 80 80 TYR HE1 H 1 6.812 0 . . . . . A 981 TYR HE1 . 11471 1 823 . 1 1 80 80 TYR HE2 H 1 6.812 0 . . . . . A 981 TYR HE2 . 11471 1 824 . 1 1 80 80 TYR CA C 13 57.339 0.124 . . . . . A 981 TYR CA . 11471 1 825 . 1 1 80 80 TYR CB C 13 38.829 0.02 . . . . . A 981 TYR CB . 11471 1 826 . 1 1 80 80 TYR CD1 C 13 131.027 0 . . . . . A 981 TYR CD1 . 11471 1 827 . 1 1 80 80 TYR CD2 C 13 131.027 0 . . . . . A 981 TYR CD2 . 11471 1 828 . 1 1 80 80 TYR CE1 C 13 118.52 0 . . . . . A 981 TYR CE1 . 11471 1 829 . 1 1 80 80 TYR CE2 C 13 118.52 0 . . . . . A 981 TYR CE2 . 11471 1 830 . 1 1 80 80 TYR N N 15 121.664 0.039 . . . . . A 981 TYR N . 11471 1 831 . 1 1 81 81 ALA H H 1 7.838 0.006 . . . . . A 982 ALA H . 11471 1 832 . 1 1 81 81 ALA HA H 1 4.276 0.015 . . . . . A 982 ALA HA . 11471 1 833 . 1 1 81 81 ALA HB1 H 1 1.374 0.019 . . . . . A 982 ALA HB1 . 11471 1 834 . 1 1 81 81 ALA HB2 H 1 1.374 0.019 . . . . . A 982 ALA HB2 . 11471 1 835 . 1 1 81 81 ALA HB3 H 1 1.374 0.019 . . . . . A 982 ALA HB3 . 11471 1 836 . 1 1 81 81 ALA CA C 13 51.897 0.061 . . . . . A 982 ALA CA . 11471 1 837 . 1 1 81 81 ALA CB C 13 19.069 0.048 . . . . . A 982 ALA CB . 11471 1 838 . 1 1 81 81 ALA N N 15 125.598 0.005 . . . . . A 982 ALA N . 11471 1 839 . 1 1 82 82 TYR H H 1 9.178 0.003 . . . . . A 983 TYR H . 11471 1 840 . 1 1 82 82 TYR HA H 1 4.587 0.005 . . . . . A 983 TYR HA . 11471 1 841 . 1 1 82 82 TYR HB2 H 1 3.235 0.013 . . . . . A 983 TYR HB2 . 11471 1 842 . 1 1 82 82 TYR HB3 H 1 2.662 0.009 . . . . . A 983 TYR HB3 . 11471 1 843 . 1 1 82 82 TYR HD1 H 1 7.107 0.011 . . . . . A 983 TYR HD1 . 11471 1 844 . 1 1 82 82 TYR HD2 H 1 7.107 0.011 . . . . . A 983 TYR HD2 . 11471 1 845 . 1 1 82 82 TYR CA C 13 58.808 0.071 . . . . . A 983 TYR CA . 11471 1 846 . 1 1 82 82 TYR CB C 13 37.644 0.024 . . . . . A 983 TYR CB . 11471 1 847 . 1 1 82 82 TYR N N 15 121.9 0.011 . . . . . A 983 TYR N . 11471 1 848 . 1 1 83 83 GLY H H 1 8.69 0.006 . . . . . A 984 GLY H . 11471 1 849 . 1 1 83 83 GLY CA C 13 46.905 0 . . . . . A 984 GLY CA . 11471 1 850 . 1 1 83 83 GLY N N 15 108.661 0.02 . . . . . A 984 GLY N . 11471 1 851 . 1 1 84 84 ALA HA H 1 3.261 0 . . . . . A 985 ALA HA . 11471 1 852 . 1 1 84 84 ALA HB1 H 1 1.46 0 . . . . . A 985 ALA HB1 . 11471 1 853 . 1 1 84 84 ALA HB2 H 1 1.46 0 . . . . . A 985 ALA HB2 . 11471 1 854 . 1 1 84 84 ALA HB3 H 1 1.46 0 . . . . . A 985 ALA HB3 . 11471 1 855 . 1 1 84 84 ALA CA C 13 53.319 0.065 . . . . . A 985 ALA CA . 11471 1 856 . 1 1 84 84 ALA CB C 13 19.278 0.035 . . . . . A 985 ALA CB . 11471 1 857 . 1 1 85 85 THR H H 1 7.89 0.003 . . . . . A 986 THR H . 11471 1 858 . 1 1 85 85 THR HA H 1 4.032 0 . . . . . A 986 THR HA . 11471 1 859 . 1 1 85 85 THR HB H 1 4.253 0 . . . . . A 986 THR HB . 11471 1 860 . 1 1 85 85 THR HG21 H 1 1.226 0 . . . . . A 986 THR HG21 . 11471 1 861 . 1 1 85 85 THR HG22 H 1 1.226 0 . . . . . A 986 THR HG22 . 11471 1 862 . 1 1 85 85 THR HG23 H 1 1.226 0 . . . . . A 986 THR HG23 . 11471 1 863 . 1 1 85 85 THR CA C 13 64.253 0.033 . . . . . A 986 THR CA . 11471 1 864 . 1 1 85 85 THR CB C 13 69.472 0.05 . . . . . A 986 THR CB . 11471 1 865 . 1 1 85 85 THR CG2 C 13 21.791 0 . . . . . A 986 THR CG2 . 11471 1 866 . 1 1 85 85 THR N N 15 109.798 0.012 . . . . . A 986 THR N . 11471 1 867 . 1 1 86 86 GLY H H 1 7.354 0.004 . . . . . A 987 GLY H . 11471 1 868 . 1 1 86 86 GLY HA2 H 1 3.783 0.016 . . . . . A 987 GLY HA2 . 11471 1 869 . 1 1 86 86 GLY HA3 H 1 3.466 0.019 . . . . . A 987 GLY HA3 . 11471 1 870 . 1 1 86 86 GLY CA C 13 44.873 0.042 . . . . . A 987 GLY CA . 11471 1 871 . 1 1 86 86 GLY N N 15 106.996 0.006 . . . . . A 987 GLY N . 11471 1 872 . 1 1 87 87 HIS H H 1 8.816 0.004 . . . . . A 988 HIS H . 11471 1 873 . 1 1 87 87 HIS HA H 1 4.841 0.002 . . . . . A 988 HIS HA . 11471 1 874 . 1 1 87 87 HIS HB2 H 1 2.315 0.007 . . . . . A 988 HIS HB2 . 11471 1 875 . 1 1 87 87 HIS HB3 H 1 1.472 0.002 . . . . . A 988 HIS HB3 . 11471 1 876 . 1 1 87 87 HIS CA C 13 54.123 0.05 . . . . . A 988 HIS CA . 11471 1 877 . 1 1 87 87 HIS CB C 13 32.011 0 . . . . . A 988 HIS CB . 11471 1 878 . 1 1 87 87 HIS N N 15 121.569 0.016 . . . . . A 988 HIS N . 11471 1 879 . 1 1 89 89 GLY H H 1 8.232 0.004 . . . . . A 990 GLY H . 11471 1 880 . 1 1 89 89 GLY HA2 H 1 4.263 0.018 . . . . . A 990 GLY HA2 . 11471 1 881 . 1 1 89 89 GLY HA3 H 1 3.659 0.038 . . . . . A 990 GLY HA3 . 11471 1 882 . 1 1 89 89 GLY CA C 13 45.066 0.188 . . . . . A 990 GLY CA . 11471 1 883 . 1 1 90 90 ILE H H 1 8.01 0.003 . . . . . A 991 ILE H . 11471 1 884 . 1 1 90 90 ILE HA H 1 4.275 0 . . . . . A 991 ILE HA . 11471 1 885 . 1 1 90 90 ILE HB H 1 1.383 0.013 . . . . . A 991 ILE HB . 11471 1 886 . 1 1 90 90 ILE HG12 H 1 1.535 0 . . . . . A 991 ILE HG12 . 11471 1 887 . 1 1 90 90 ILE HG13 H 1 1.012 0 . . . . . A 991 ILE HG13 . 11471 1 888 . 1 1 90 90 ILE HG21 H 1 0.762 0 . . . . . A 991 ILE HG21 . 11471 1 889 . 1 1 90 90 ILE HG22 H 1 0.762 0 . . . . . A 991 ILE HG22 . 11471 1 890 . 1 1 90 90 ILE HG23 H 1 0.762 0 . . . . . A 991 ILE HG23 . 11471 1 891 . 1 1 90 90 ILE HD11 H 1 0.912 0 . . . . . A 991 ILE HD11 . 11471 1 892 . 1 1 90 90 ILE HD12 H 1 0.912 0 . . . . . A 991 ILE HD12 . 11471 1 893 . 1 1 90 90 ILE HD13 H 1 0.912 0 . . . . . A 991 ILE HD13 . 11471 1 894 . 1 1 90 90 ILE CA C 13 63.132 0.136 . . . . . A 991 ILE CA . 11471 1 895 . 1 1 90 90 ILE CB C 13 42.289 0.074 . . . . . A 991 ILE CB . 11471 1 896 . 1 1 90 90 ILE CG1 C 13 27.215 0 . . . . . A 991 ILE CG1 . 11471 1 897 . 1 1 90 90 ILE CG2 C 13 17.622 0 . . . . . A 991 ILE CG2 . 11471 1 898 . 1 1 90 90 ILE CD1 C 13 13.222 0 . . . . . A 991 ILE CD1 . 11471 1 899 . 1 1 90 90 ILE N N 15 117.725 0.009 . . . . . A 991 ILE N . 11471 1 900 . 1 1 91 91 ILE H H 1 8.222 0.003 . . . . . A 992 ILE H . 11471 1 901 . 1 1 91 91 ILE HA H 1 4.623 0.02 . . . . . A 992 ILE HA . 11471 1 902 . 1 1 91 91 ILE HB H 1 1.472 0.017 . . . . . A 992 ILE HB . 11471 1 903 . 1 1 91 91 ILE HG12 H 1 0.627 0 . . . . . A 992 ILE HG12 . 11471 1 904 . 1 1 91 91 ILE HG13 H 1 0.627 0 . . . . . A 992 ILE HG13 . 11471 1 905 . 1 1 91 91 ILE HD11 H 1 -0.335 0.017 . . . . . A 992 ILE HD11 . 11471 1 906 . 1 1 91 91 ILE HD12 H 1 -0.335 0.017 . . . . . A 992 ILE HD12 . 11471 1 907 . 1 1 91 91 ILE HD13 H 1 -0.335 0.017 . . . . . A 992 ILE HD13 . 11471 1 908 . 1 1 91 91 ILE CA C 13 55.235 0 . . . . . A 992 ILE CA . 11471 1 909 . 1 1 91 91 ILE CB C 13 39.282 0.158 . . . . . A 992 ILE CB . 11471 1 910 . 1 1 91 91 ILE CD1 C 13 9.811 0 . . . . . A 992 ILE CD1 . 11471 1 911 . 1 1 91 91 ILE N N 15 119.077 0.011 . . . . . A 992 ILE N . 11471 1 912 . 1 1 92 92 PRO HA H 1 4.787 0 . . . . . A 993 PRO HA . 11471 1 913 . 1 1 93 93 PRO HA H 1 3.598 0.005 . . . . . A 994 PRO HA . 11471 1 914 . 1 1 93 93 PRO HB2 H 1 1.542 0.001 . . . . . A 994 PRO HB2 . 11471 1 915 . 1 1 93 93 PRO HB3 H 1 2.173 0.004 . . . . . A 994 PRO HB3 . 11471 1 916 . 1 1 93 93 PRO HG2 H 1 2.021 0 . . . . . A 994 PRO HG2 . 11471 1 917 . 1 1 93 93 PRO HG3 H 1 1.657 0 . . . . . A 994 PRO HG3 . 11471 1 918 . 1 1 93 93 PRO HD2 H 1 3.443 0 . . . . . A 994 PRO HD2 . 11471 1 919 . 1 1 93 93 PRO HD3 H 1 3.748 0 . . . . . A 994 PRO HD3 . 11471 1 920 . 1 1 93 93 PRO CA C 13 63.605 0.065 . . . . . A 994 PRO CA . 11471 1 921 . 1 1 93 93 PRO CB C 13 33.23 0.023 . . . . . A 994 PRO CB . 11471 1 922 . 1 1 93 93 PRO CG C 13 28.041 0 . . . . . A 994 PRO CG . 11471 1 923 . 1 1 93 93 PRO CD C 13 50.905 0 . . . . . A 994 PRO CD . 11471 1 924 . 1 1 94 94 HIS H H 1 8.001 0.003 . . . . . A 995 HIS H . 11471 1 925 . 1 1 94 94 HIS HA H 1 3.816 0 . . . . . A 995 HIS HA . 11471 1 926 . 1 1 94 94 HIS HB2 H 1 3.246 0.037 . . . . . A 995 HIS HB2 . 11471 1 927 . 1 1 94 94 HIS HB3 H 1 3.2 0.032 . . . . . A 995 HIS HB3 . 11471 1 928 . 1 1 94 94 HIS HD2 H 1 6.908 0.002 . . . . . A 995 HIS HD2 . 11471 1 929 . 1 1 94 94 HIS CA C 13 57.069 0.031 . . . . . A 995 HIS CA . 11471 1 930 . 1 1 94 94 HIS CB C 13 27.943 0.039 . . . . . A 995 HIS CB . 11471 1 931 . 1 1 94 94 HIS CD2 C 13 119.831 0 . . . . . A 995 HIS CD2 . 11471 1 932 . 1 1 94 94 HIS N N 15 115.999 0.009 . . . . . A 995 HIS N . 11471 1 933 . 1 1 95 95 ALA H H 1 7.704 0.006 . . . . . A 996 ALA H . 11471 1 934 . 1 1 95 95 ALA HA H 1 4.508 0.001 . . . . . A 996 ALA HA . 11471 1 935 . 1 1 95 95 ALA HB1 H 1 1.309 0.002 . . . . . A 996 ALA HB1 . 11471 1 936 . 1 1 95 95 ALA HB2 H 1 1.309 0.002 . . . . . A 996 ALA HB2 . 11471 1 937 . 1 1 95 95 ALA HB3 H 1 1.309 0.002 . . . . . A 996 ALA HB3 . 11471 1 938 . 1 1 95 95 ALA CA C 13 52.655 0.014 . . . . . A 996 ALA CA . 11471 1 939 . 1 1 95 95 ALA CB C 13 20.622 0.07 . . . . . A 996 ALA CB . 11471 1 940 . 1 1 95 95 ALA N N 15 122.156 0.007 . . . . . A 996 ALA N . 11471 1 941 . 1 1 96 96 THR H H 1 8.483 0.003 . . . . . A 997 THR H . 11471 1 942 . 1 1 96 96 THR HA H 1 4.711 0.006 . . . . . A 997 THR HA . 11471 1 943 . 1 1 96 96 THR HB H 1 3.989 0.003 . . . . . A 997 THR HB . 11471 1 944 . 1 1 96 96 THR HG21 H 1 1.036 0 . . . . . A 997 THR HG21 . 11471 1 945 . 1 1 96 96 THR HG22 H 1 1.036 0 . . . . . A 997 THR HG22 . 11471 1 946 . 1 1 96 96 THR HG23 H 1 1.036 0 . . . . . A 997 THR HG23 . 11471 1 947 . 1 1 96 96 THR CA C 13 63.7 0.035 . . . . . A 997 THR CA . 11471 1 948 . 1 1 96 96 THR CB C 13 69.506 0.075 . . . . . A 997 THR CB . 11471 1 949 . 1 1 96 96 THR CG2 C 13 21.066 0 . . . . . A 997 THR CG2 . 11471 1 950 . 1 1 96 96 THR N N 15 123.044 0.022 . . . . . A 997 THR N . 11471 1 951 . 1 1 97 97 LEU H H 1 8.8 0.004 . . . . . A 998 LEU H . 11471 1 952 . 1 1 97 97 LEU HA H 1 5.104 0.009 . . . . . A 998 LEU HA . 11471 1 953 . 1 1 97 97 LEU HB2 H 1 1.484 0.01 . . . . . A 998 LEU HB2 . 11471 1 954 . 1 1 97 97 LEU HB3 H 1 1.811 0.02 . . . . . A 998 LEU HB3 . 11471 1 955 . 1 1 97 97 LEU HG H 1 1.865 0 . . . . . A 998 LEU HG . 11471 1 956 . 1 1 97 97 LEU HD11 H 1 1.225 0.019 . . . . . A 998 LEU HD11 . 11471 1 957 . 1 1 97 97 LEU HD12 H 1 1.225 0.019 . . . . . A 998 LEU HD12 . 11471 1 958 . 1 1 97 97 LEU HD13 H 1 1.225 0.019 . . . . . A 998 LEU HD13 . 11471 1 959 . 1 1 97 97 LEU HD21 H 1 0.913 0 . . . . . A 998 LEU HD21 . 11471 1 960 . 1 1 97 97 LEU HD22 H 1 0.913 0 . . . . . A 998 LEU HD22 . 11471 1 961 . 1 1 97 97 LEU HD23 H 1 0.913 0 . . . . . A 998 LEU HD23 . 11471 1 962 . 1 1 97 97 LEU CA C 13 52.749 0.094 . . . . . A 998 LEU CA . 11471 1 963 . 1 1 97 97 LEU CB C 13 46.427 0.046 . . . . . A 998 LEU CB . 11471 1 964 . 1 1 97 97 LEU CG C 13 27.063 0 . . . . . A 998 LEU CG . 11471 1 965 . 1 1 97 97 LEU CD1 C 13 27.401 0.094 . . . . . A 998 LEU CD1 . 11471 1 966 . 1 1 97 97 LEU CD2 C 13 23.892 0 . . . . . A 998 LEU CD2 . 11471 1 967 . 1 1 97 97 LEU N N 15 124.741 0.011 . . . . . A 998 LEU N . 11471 1 968 . 1 1 98 98 VAL H H 1 8.74 0.004 . . . . . A 999 VAL H . 11471 1 969 . 1 1 98 98 VAL HA H 1 5.266 0 . . . . . A 999 VAL HA . 11471 1 970 . 1 1 98 98 VAL HB H 1 1.763 0.024 . . . . . A 999 VAL HB . 11471 1 971 . 1 1 98 98 VAL HG11 H 1 0.929 0.036 . . . . . A 999 VAL HG11 . 11471 1 972 . 1 1 98 98 VAL HG12 H 1 0.929 0.036 . . . . . A 999 VAL HG12 . 11471 1 973 . 1 1 98 98 VAL HG13 H 1 0.929 0.036 . . . . . A 999 VAL HG13 . 11471 1 974 . 1 1 98 98 VAL HG21 H 1 0.837 0.042 . . . . . A 999 VAL HG21 . 11471 1 975 . 1 1 98 98 VAL HG22 H 1 0.837 0.042 . . . . . A 999 VAL HG22 . 11471 1 976 . 1 1 98 98 VAL HG23 H 1 0.837 0.042 . . . . . A 999 VAL HG23 . 11471 1 977 . 1 1 98 98 VAL CA C 13 60.629 0.019 . . . . . A 999 VAL CA . 11471 1 978 . 1 1 98 98 VAL CB C 13 34.322 0.099 . . . . . A 999 VAL CB . 11471 1 979 . 1 1 98 98 VAL CG1 C 13 20.751 0 . . . . . A 999 VAL CG1 . 11471 1 980 . 1 1 98 98 VAL CG2 C 13 21.219 0 . . . . . A 999 VAL CG2 . 11471 1 981 . 1 1 98 98 VAL N N 15 121.317 0.007 . . . . . A 999 VAL N . 11471 1 982 . 1 1 99 99 PHE H H 1 9.653 0.005 . . . . . A 1000 PHE H . 11471 1 983 . 1 1 99 99 PHE HA H 1 5.958 0.017 . . . . . A 1000 PHE HA . 11471 1 984 . 1 1 99 99 PHE HB2 H 1 2.892 0 . . . . . A 1000 PHE HB2 . 11471 1 985 . 1 1 99 99 PHE HB3 H 1 2.798 0.012 . . . . . A 1000 PHE HB3 . 11471 1 986 . 1 1 99 99 PHE CA C 13 54.985 0.048 . . . . . A 1000 PHE CA . 11471 1 987 . 1 1 99 99 PHE CB C 13 43.394 0.094 . . . . . A 1000 PHE CB . 11471 1 988 . 1 1 99 99 PHE N N 15 122.315 0.031 . . . . . A 1000 PHE N . 11471 1 989 . 1 1 100 100 ASP H H 1 8.952 0 . . . . . A 1001 ASP H . 11471 1 990 . 1 1 100 100 ASP HA H 1 5.144 0 . . . . . A 1001 ASP HA . 11471 1 991 . 1 1 100 100 ASP HB2 H 1 2.886 0 . . . . . A 1001 ASP HB2 . 11471 1 992 . 1 1 100 100 ASP HB3 H 1 2.473 0 . . . . . A 1001 ASP HB3 . 11471 1 993 . 1 1 100 100 ASP CA C 13 52.729 0.057 . . . . . A 1001 ASP CA . 11471 1 994 . 1 1 100 100 ASP CB C 13 42.366 0.093 . . . . . A 1001 ASP CB . 11471 1 995 . 1 1 100 100 ASP N N 15 125.175 0.019 . . . . . A 1001 ASP N . 11471 1 996 . 1 1 101 101 VAL H H 1 9.525 0.003 . . . . . A 1002 VAL H . 11471 1 997 . 1 1 101 101 VAL HA H 1 5.033 0 . . . . . A 1002 VAL HA . 11471 1 998 . 1 1 101 101 VAL HB H 1 1.603 0 . . . . . A 1002 VAL HB . 11471 1 999 . 1 1 101 101 VAL HG11 H 1 0.474 0 . . . . . A 1002 VAL HG11 . 11471 1 1000 . 1 1 101 101 VAL HG12 H 1 0.474 0 . . . . . A 1002 VAL HG12 . 11471 1 1001 . 1 1 101 101 VAL HG13 H 1 0.474 0 . . . . . A 1002 VAL HG13 . 11471 1 1002 . 1 1 101 101 VAL HG21 H 1 0.441 0 . . . . . A 1002 VAL HG21 . 11471 1 1003 . 1 1 101 101 VAL HG22 H 1 0.441 0 . . . . . A 1002 VAL HG22 . 11471 1 1004 . 1 1 101 101 VAL HG23 H 1 0.441 0 . . . . . A 1002 VAL HG23 . 11471 1 1005 . 1 1 101 101 VAL CA C 13 61.31 0.042 . . . . . A 1002 VAL CA . 11471 1 1006 . 1 1 101 101 VAL CB C 13 35.113 0.067 . . . . . A 1002 VAL CB . 11471 1 1007 . 1 1 101 101 VAL CG1 C 13 20.759 0 . . . . . A 1002 VAL CG1 . 11471 1 1008 . 1 1 101 101 VAL CG2 C 13 22.485 0 . . . . . A 1002 VAL CG2 . 11471 1 1009 . 1 1 101 101 VAL N N 15 126.722 0.013 . . . . . A 1002 VAL N . 11471 1 1010 . 1 1 102 102 GLU H H 1 9.132 0.004 . . . . . A 1003 GLU H . 11471 1 1011 . 1 1 102 102 GLU HA H 1 5.405 0.001 . . . . . A 1003 GLU HA . 11471 1 1012 . 1 1 102 102 GLU HB2 H 1 1.858 0 . . . . . A 1003 GLU HB2 . 11471 1 1013 . 1 1 102 102 GLU HB3 H 1 2.032 0 . . . . . A 1003 GLU HB3 . 11471 1 1014 . 1 1 102 102 GLU HG2 H 1 1.831 0 . . . . . A 1003 GLU HG2 . 11471 1 1015 . 1 1 102 102 GLU HG3 H 1 1.977 0 . . . . . A 1003 GLU HG3 . 11471 1 1016 . 1 1 102 102 GLU CA C 13 53.778 0.017 . . . . . A 1003 GLU CA . 11471 1 1017 . 1 1 102 102 GLU CB C 13 33.797 0.011 . . . . . A 1003 GLU CB . 11471 1 1018 . 1 1 102 102 GLU CG C 13 35.707 0 . . . . . A 1003 GLU CG . 11471 1 1019 . 1 1 102 102 GLU N N 15 128.123 0.011 . . . . . A 1003 GLU N . 11471 1 1020 . 1 1 103 103 LEU H H 1 8.668 0.005 . . . . . A 1004 LEU H . 11471 1 1021 . 1 1 103 103 LEU HA H 1 4.666 0.007 . . . . . A 1004 LEU HA . 11471 1 1022 . 1 1 103 103 LEU HB2 H 1 1.033 0 . . . . . A 1004 LEU HB2 . 11471 1 1023 . 1 1 103 103 LEU HB3 H 1 2.255 0.002 . . . . . A 1004 LEU HB3 . 11471 1 1024 . 1 1 103 103 LEU HG H 1 1.325 0.009 . . . . . A 1004 LEU HG . 11471 1 1025 . 1 1 103 103 LEU HD11 H 1 0.638 0 . . . . . A 1004 LEU HD11 . 11471 1 1026 . 1 1 103 103 LEU HD12 H 1 0.638 0 . . . . . A 1004 LEU HD12 . 11471 1 1027 . 1 1 103 103 LEU HD13 H 1 0.638 0 . . . . . A 1004 LEU HD13 . 11471 1 1028 . 1 1 103 103 LEU HD21 H 1 0.805 0.009 . . . . . A 1004 LEU HD21 . 11471 1 1029 . 1 1 103 103 LEU HD22 H 1 0.805 0.009 . . . . . A 1004 LEU HD22 . 11471 1 1030 . 1 1 103 103 LEU HD23 H 1 0.805 0.009 . . . . . A 1004 LEU HD23 . 11471 1 1031 . 1 1 103 103 LEU CA C 13 54.244 0.105 . . . . . A 1004 LEU CA . 11471 1 1032 . 1 1 103 103 LEU CB C 13 41.454 0.045 . . . . . A 1004 LEU CB . 11471 1 1033 . 1 1 103 103 LEU CG C 13 28.401 0.035 . . . . . A 1004 LEU CG . 11471 1 1034 . 1 1 103 103 LEU CD1 C 13 26.044 0 . . . . . A 1004 LEU CD1 . 11471 1 1035 . 1 1 103 103 LEU CD2 C 13 23.389 0.08 . . . . . A 1004 LEU CD2 . 11471 1 1036 . 1 1 103 103 LEU N N 15 128.444 0.005 . . . . . A 1004 LEU N . 11471 1 1037 . 1 1 104 104 LEU H H 1 9.139 0.002 . . . . . A 1005 LEU H . 11471 1 1038 . 1 1 104 104 LEU HA H 1 4.212 0.01 . . . . . A 1005 LEU HA . 11471 1 1039 . 1 1 104 104 LEU HB2 H 1 1.515 0 . . . . . A 1005 LEU HB2 . 11471 1 1040 . 1 1 104 104 LEU HB3 H 1 1.447 0 . . . . . A 1005 LEU HB3 . 11471 1 1041 . 1 1 104 104 LEU HG H 1 1.366 0 . . . . . A 1005 LEU HG . 11471 1 1042 . 1 1 104 104 LEU HD11 H 1 0.653 0 . . . . . A 1005 LEU HD11 . 11471 1 1043 . 1 1 104 104 LEU HD12 H 1 0.653 0 . . . . . A 1005 LEU HD12 . 11471 1 1044 . 1 1 104 104 LEU HD13 H 1 0.653 0 . . . . . A 1005 LEU HD13 . 11471 1 1045 . 1 1 104 104 LEU HD21 H 1 0.805 0.01 . . . . . A 1005 LEU HD21 . 11471 1 1046 . 1 1 104 104 LEU HD22 H 1 0.805 0.01 . . . . . A 1005 LEU HD22 . 11471 1 1047 . 1 1 104 104 LEU HD23 H 1 0.805 0.01 . . . . . A 1005 LEU HD23 . 11471 1 1048 . 1 1 104 104 LEU CA C 13 57.083 0.048 . . . . . A 1005 LEU CA . 11471 1 1049 . 1 1 104 104 LEU CB C 13 42.828 0.03 . . . . . A 1005 LEU CB . 11471 1 1050 . 1 1 104 104 LEU CG C 13 26.672 0 . . . . . A 1005 LEU CG . 11471 1 1051 . 1 1 104 104 LEU CD1 C 13 25.84 0 . . . . . A 1005 LEU CD1 . 11471 1 1052 . 1 1 104 104 LEU CD2 C 13 22.29 0.041 . . . . . A 1005 LEU CD2 . 11471 1 1053 . 1 1 104 104 LEU N N 15 128.947 0.007 . . . . . A 1005 LEU N . 11471 1 1054 . 1 1 105 105 LYS H H 1 7.728 0.005 . . . . . A 1006 LYS H . 11471 1 1055 . 1 1 105 105 LYS HA H 1 4.359 0.011 . . . . . A 1006 LYS HA . 11471 1 1056 . 1 1 105 105 LYS HB2 H 1 1.798 0 . . . . . A 1006 LYS HB2 . 11471 1 1057 . 1 1 105 105 LYS HB3 H 1 1.704 0 . . . . . A 1006 LYS HB3 . 11471 1 1058 . 1 1 105 105 LYS HG2 H 1 1.227 0 . . . . . A 1006 LYS HG2 . 11471 1 1059 . 1 1 105 105 LYS HG3 H 1 1.148 0 . . . . . A 1006 LYS HG3 . 11471 1 1060 . 1 1 105 105 LYS HD2 H 1 1.579 0 . . . . . A 1006 LYS HD2 . 11471 1 1061 . 1 1 105 105 LYS HD3 H 1 1.579 0 . . . . . A 1006 LYS HD3 . 11471 1 1062 . 1 1 105 105 LYS HE2 H 1 2.92 0 . . . . . A 1006 LYS HE2 . 11471 1 1063 . 1 1 105 105 LYS HE3 H 1 2.859 0 . . . . . A 1006 LYS HE3 . 11471 1 1064 . 1 1 105 105 LYS CA C 13 55.565 0.038 . . . . . A 1006 LYS CA . 11471 1 1065 . 1 1 105 105 LYS CB C 13 35.152 0.046 . . . . . A 1006 LYS CB . 11471 1 1066 . 1 1 105 105 LYS CG C 13 23.9 0 . . . . . A 1006 LYS CG . 11471 1 1067 . 1 1 105 105 LYS CD C 13 29.319 0 . . . . . A 1006 LYS CD . 11471 1 1068 . 1 1 105 105 LYS CE C 13 42.049 0 . . . . . A 1006 LYS CE . 11471 1 1069 . 1 1 105 105 LYS N N 15 112.298 0.009 . . . . . A 1006 LYS N . 11471 1 1070 . 1 1 106 106 LEU H H 1 8.244 0.003 . . . . . A 1007 LEU H . 11471 1 1071 . 1 1 106 106 LEU HA H 1 5.245 0.014 . . . . . A 1007 LEU HA . 11471 1 1072 . 1 1 106 106 LEU HB2 H 1 1.558 0.013 . . . . . A 1007 LEU HB2 . 11471 1 1073 . 1 1 106 106 LEU HB3 H 1 1.213 0.003 . . . . . A 1007 LEU HB3 . 11471 1 1074 . 1 1 106 106 LEU HG H 1 1.353 0 . . . . . A 1007 LEU HG . 11471 1 1075 . 1 1 106 106 LEU HD11 H 1 0.876 0.018 . . . . . A 1007 LEU HD11 . 11471 1 1076 . 1 1 106 106 LEU HD12 H 1 0.876 0.018 . . . . . A 1007 LEU HD12 . 11471 1 1077 . 1 1 106 106 LEU HD13 H 1 0.876 0.018 . . . . . A 1007 LEU HD13 . 11471 1 1078 . 1 1 106 106 LEU HD21 H 1 0.644 0.013 . . . . . A 1007 LEU HD21 . 11471 1 1079 . 1 1 106 106 LEU HD22 H 1 0.644 0.013 . . . . . A 1007 LEU HD22 . 11471 1 1080 . 1 1 106 106 LEU HD23 H 1 0.644 0.013 . . . . . A 1007 LEU HD23 . 11471 1 1081 . 1 1 106 106 LEU CA C 13 53.063 0.129 . . . . . A 1007 LEU CA . 11471 1 1082 . 1 1 106 106 LEU CB C 13 44.088 0.02 . . . . . A 1007 LEU CB . 11471 1 1083 . 1 1 106 106 LEU CD1 C 13 25.927 0 . . . . . A 1007 LEU CD1 . 11471 1 1084 . 1 1 106 106 LEU CD2 C 13 25.762 0.003 . . . . . A 1007 LEU CD2 . 11471 1 1085 . 1 1 106 106 LEU N N 15 120.422 0.019 . . . . . A 1007 LEU N . 11471 1 1086 . 1 1 107 107 GLU H H 1 9.007 0.005 . . . . . A 1008 GLU H . 11471 1 1087 . 1 1 107 107 GLU CA C 13 56.713 0 . . . . . A 1008 GLU CA . 11471 1 1088 . 1 1 107 107 GLU CB C 13 32.509 0 . . . . . A 1008 GLU CB . 11471 1 1089 . 1 1 107 107 GLU N N 15 127.004 0.01 . . . . . A 1008 GLU N . 11471 1 1090 . 2 2 1 1 VAL H H 1 8.144 0.018 . . . . . B 1009 VAL H1 . 11471 1 1091 . 2 2 1 1 VAL C C 13 175.531 0 . . . . . B 1009 VAL C . 11471 1 1092 . 2 2 1 1 VAL CA C 13 62.13 0.008 . . . . . B 1009 VAL CA . 11471 1 1093 . 2 2 1 1 VAL N N 15 121.927 0.143 . . . . . B 1009 VAL N . 11471 1 1094 . 2 2 2 2 ALA H H 1 8.351 0.03 . . . . . B 1010 ALA H . 11471 1 1095 . 2 2 2 2 ALA C C 13 176.779 0 . . . . . B 1010 ALA C . 11471 1 1096 . 2 2 2 2 ALA CA C 13 52.444 0.019 . . . . . B 1010 ALA CA . 11471 1 1097 . 2 2 2 2 ALA N N 15 127.8 0.039 . . . . . B 1010 ALA N . 11471 1 1098 . 2 2 3 3 ILE H H 1 8.189 0.042 . . . . . B 1011 ILE H . 11471 1 1099 . 2 2 3 3 ILE C C 13 176.12 0 . . . . . B 1011 ILE C . 11471 1 1100 . 2 2 3 3 ILE CA C 13 61.011 0 . . . . . B 1011 ILE CA . 11471 1 1101 . 2 2 3 3 ILE N N 15 119.386 0.052 . . . . . B 1011 ILE N . 11471 1 1102 . 2 2 4 4 LEU H H 1 8.457 0.014 . . . . . B 1012 LEU H . 11471 1 1103 . 2 2 4 4 LEU C C 13 178.5 0 . . . . . B 1012 LEU C . 11471 1 1104 . 2 2 4 4 LEU CA C 13 54.221 0 . . . . . B 1012 LEU CA . 11471 1 1105 . 2 2 4 4 LEU N N 15 125.839 0.254 . . . . . B 1012 LEU N . 11471 1 1106 . 2 2 5 5 TRP H H 1 9.433 0.057 . . . . . B 1013 TRP H . 11471 1 1107 . 2 2 5 5 TRP C C 13 178.127 0 . . . . . B 1013 TRP C . 11471 1 1108 . 2 2 5 5 TRP CA C 13 60.265 0 . . . . . B 1013 TRP CA . 11471 1 1109 . 2 2 5 5 TRP N N 15 125.006 0.1 . . . . . B 1013 TRP N . 11471 1 1110 . 2 2 6 6 HIS H H 1 8.56 0.088 . . . . . B 1014 HIS H . 11471 1 1111 . 2 2 6 6 HIS C C 13 176.665 0 . . . . . B 1014 HIS C . 11471 1 1112 . 2 2 6 6 HIS CA C 13 60.832 0.076 . . . . . B 1014 HIS CA . 11471 1 1113 . 2 2 6 6 HIS N N 15 114.451 0.122 . . . . . B 1014 HIS N . 11471 1 1114 . 2 2 7 7 GLU H H 1 6.476 0.02 . . . . . B 1015 GLU H . 11471 1 1115 . 2 2 7 7 GLU CA C 13 58.944 0.109 . . . . . B 1015 GLU CA . 11471 1 1116 . 2 2 7 7 GLU N N 15 120.182 0.151 . . . . . B 1015 GLU N . 11471 1 1117 . 2 2 8 8 MET H H 1 8.262 0.01 . . . . . B 1016 MET H . 11471 1 1118 . 2 2 8 8 MET C C 13 180.249 0 . . . . . B 1016 MET C . 11471 1 1119 . 2 2 8 8 MET CA C 13 58.917 0.018 . . . . . B 1016 MET CA . 11471 1 1120 . 2 2 8 8 MET N N 15 118.63 0.083 . . . . . B 1016 MET N . 11471 1 1121 . 2 2 9 9 TRP H H 1 8.452 0.009 . . . . . B 1017 TRP H . 11471 1 1122 . 2 2 9 9 TRP C C 13 177.797 0 . . . . . B 1017 TRP C . 11471 1 1123 . 2 2 9 9 TRP CA C 13 61.448 0.01 . . . . . B 1017 TRP CA . 11471 1 1124 . 2 2 9 9 TRP N N 15 118.249 0.039 . . . . . B 1017 TRP N . 11471 1 1125 . 2 2 10 10 HIS H H 1 8.352 0.015 . . . . . B 1018 HIS H . 11471 1 1126 . 2 2 10 10 HIS C C 13 176.521 0 . . . . . B 1018 HIS C . 11471 1 1127 . 2 2 10 10 HIS CA C 13 62.177 0.015 . . . . . B 1018 HIS CA . 11471 1 1128 . 2 2 10 10 HIS N N 15 120.651 0.183 . . . . . B 1018 HIS N . 11471 1 1129 . 2 2 11 11 GLU H H 1 8.161 0.011 . . . . . B 1019 GLU H . 11471 1 1130 . 2 2 11 11 GLU C C 13 180.02 0 . . . . . B 1019 GLU C . 11471 1 1131 . 2 2 11 11 GLU CA C 13 58.914 0 . . . . . B 1019 GLU CA . 11471 1 1132 . 2 2 11 11 GLU N N 15 116.102 0.268 . . . . . B 1019 GLU N . 11471 1 1133 . 2 2 12 12 GLY H H 1 8.362 0.015 . . . . . B 1020 GLY H . 11471 1 1134 . 2 2 12 12 GLY C C 13 175.202 0 . . . . . B 1020 GLY C . 11471 1 1135 . 2 2 12 12 GLY CA C 13 46.888 0.013 . . . . . B 1020 GLY CA . 11471 1 1136 . 2 2 12 12 GLY N N 15 107.438 0.05 . . . . . B 1020 GLY N . 11471 1 1137 . 2 2 13 13 LEU H H 1 8.919 0.035 . . . . . B 1021 LEU H . 11471 1 1138 . 2 2 13 13 LEU C C 13 179.934 0 . . . . . B 1021 LEU C . 11471 1 1139 . 2 2 13 13 LEU CA C 13 58.383 0 . . . . . B 1021 LEU CA . 11471 1 1140 . 2 2 13 13 LEU CB C 13 40.963 0 . . . . . B 1021 LEU CB . 11471 1 1141 . 2 2 13 13 LEU N N 15 120.376 0.136 . . . . . B 1021 LEU N . 11471 1 1142 . 2 2 14 14 GLU H H 1 7.627 0.023 . . . . . B 1022 GLU H . 11471 1 1143 . 2 2 14 14 GLU C C 13 179.193 0 . . . . . B 1022 GLU C . 11471 1 1144 . 2 2 14 14 GLU CA C 13 61.424 0 . . . . . B 1022 GLU CA . 11471 1 1145 . 2 2 14 14 GLU N N 15 119.998 0.042 . . . . . B 1022 GLU N . 11471 1 1146 . 2 2 15 15 GLU H H 1 8.168 0 . . . . . B 1023 GLU H . 11471 1 1147 . 2 2 15 15 GLU C C 13 178.643 0 . . . . . B 1023 GLU C . 11471 1 1148 . 2 2 15 15 GLU CA C 13 59.136 0 . . . . . B 1023 GLU CA . 11471 1 1149 . 2 2 15 15 GLU N N 15 120.862 0 . . . . . B 1023 GLU N . 11471 1 1150 . 2 2 16 16 ALA H H 1 9.441 0.028 . . . . . B 1024 ALA H . 11471 1 1151 . 2 2 16 16 ALA C C 13 179.661 0 . . . . . B 1024 ALA C . 11471 1 1152 . 2 2 16 16 ALA CA C 13 55.706 0.048 . . . . . B 1024 ALA CA . 11471 1 1153 . 2 2 16 16 ALA CB C 13 17.967 0 . . . . . B 1024 ALA CB . 11471 1 1154 . 2 2 16 16 ALA N N 15 120.837 0.14 . . . . . B 1024 ALA N . 11471 1 1155 . 2 2 17 17 SER H H 1 8.546 0.026 . . . . . B 1025 SER H . 11471 1 1156 . 2 2 17 17 SER C C 13 176.292 0 . . . . . B 1025 SER C . 11471 1 1157 . 2 2 17 17 SER CA C 13 61.751 0.058 . . . . . B 1025 SER CA . 11471 1 1158 . 2 2 17 17 SER N N 15 113.136 0.062 . . . . . B 1025 SER N . 11471 1 1159 . 2 2 18 18 ARG H H 1 8.016 0.017 . . . . . B 1026 ARG H . 11471 1 1160 . 2 2 18 18 ARG CA C 13 60.551 0 . . . . . B 1026 ARG CA . 11471 1 1161 . 2 2 18 18 ARG CB C 13 29.364 0 . . . . . B 1026 ARG CB . 11471 1 1162 . 2 2 18 18 ARG N N 15 128.65 0.172 . . . . . B 1026 ARG N . 11471 1 1163 . 2 2 19 19 LEU C C 13 175.833 0 . . . . . B 1027 LEU C . 11471 1 1164 . 2 2 19 19 LEU CA C 13 55.856 0 . . . . . B 1027 LEU CA . 11471 1 1165 . 2 2 20 20 TYR H H 1 8.186 0.007 . . . . . B 1028 TYR H . 11471 1 1166 . 2 2 20 20 TYR CA C 13 62.04 0 . . . . . B 1028 TYR CA . 11471 1 1167 . 2 2 20 20 TYR N N 15 122.246 0.057 . . . . . B 1028 TYR N . 11471 1 1168 . 2 2 22 22 GLY H H 1 7.796 0.035 . . . . . B 1030 GLY H . 11471 1 1169 . 2 2 22 22 GLY C C 13 175.862 0 . . . . . B 1030 GLY C . 11471 1 1170 . 2 2 22 22 GLY CA C 13 46.438 0.004 . . . . . B 1030 GLY CA . 11471 1 1171 . 2 2 22 22 GLY N N 15 105.781 0.074 . . . . . B 1030 GLY N . 11471 1 1172 . 2 2 23 23 GLU H H 1 7.114 0.047 . . . . . B 1031 GLU H . 11471 1 1173 . 2 2 23 23 GLU C C 13 179.877 0 . . . . . B 1031 GLU C . 11471 1 1174 . 2 2 23 23 GLU CA C 13 55.832 0 . . . . . B 1031 GLU CA . 11471 1 1175 . 2 2 23 23 GLU CB C 13 29.954 0 . . . . . B 1031 GLU CB . 11471 1 1176 . 2 2 23 23 GLU N N 15 116.334 0.118 . . . . . B 1031 GLU N . 11471 1 1177 . 2 2 24 24 ARG H H 1 7.134 0.039 . . . . . B 1032 ARG H . 11471 1 1178 . 2 2 24 24 ARG C C 13 175.374 0 . . . . . B 1032 ARG C . 11471 1 1179 . 2 2 24 24 ARG CA C 13 57.2 0 . . . . . B 1032 ARG CA . 11471 1 1180 . 2 2 24 24 ARG N N 15 116.67 0.077 . . . . . B 1032 ARG N . 11471 1 1181 . 2 2 25 25 ASN H H 1 8.635 0.031 . . . . . B 1033 ASN H . 11471 1 1182 . 2 2 25 25 ASN C C 13 175.002 0 . . . . . B 1033 ASN C . 11471 1 1183 . 2 2 25 25 ASN CA C 13 51.081 0.056 . . . . . B 1033 ASN CA . 11471 1 1184 . 2 2 25 25 ASN CB C 13 37.911 0 . . . . . B 1033 ASN CB . 11471 1 1185 . 2 2 25 25 ASN N N 15 118.394 0.094 . . . . . B 1033 ASN N . 11471 1 1186 . 2 2 26 26 VAL H H 1 8.293 0.029 . . . . . B 1034 VAL H . 11471 1 1187 . 2 2 26 26 VAL C C 13 176.923 0 . . . . . B 1034 VAL C . 11471 1 1188 . 2 2 26 26 VAL CA C 13 66.14 0.019 . . . . . B 1034 VAL CA . 11471 1 1189 . 2 2 26 26 VAL CB C 13 31.872 0 . . . . . B 1034 VAL CB . 11471 1 1190 . 2 2 26 26 VAL N N 15 124.215 0.141 . . . . . B 1034 VAL N . 11471 1 1191 . 2 2 27 27 LYS H H 1 8.411 0.03 . . . . . B 1035 LYS H . 11471 1 1192 . 2 2 27 27 LYS C C 13 179.905 0 . . . . . B 1035 LYS C . 11471 1 1193 . 2 2 27 27 LYS CA C 13 60.048 0.024 . . . . . B 1035 LYS CA . 11471 1 1194 . 2 2 27 27 LYS CB C 13 31.843 0 . . . . . B 1035 LYS CB . 11471 1 1195 . 2 2 27 27 LYS N N 15 121.378 0.135 . . . . . B 1035 LYS N . 11471 1 1196 . 2 2 28 28 GLY H H 1 8.283 0.01 . . . . . B 1036 GLY H . 11471 1 1197 . 2 2 28 28 GLY C C 13 175.789 0 . . . . . B 1036 GLY C . 11471 1 1198 . 2 2 28 28 GLY CA C 13 47.656 0.011 . . . . . B 1036 GLY CA . 11471 1 1199 . 2 2 28 28 GLY N N 15 106.352 0.039 . . . . . B 1036 GLY N . 11471 1 1200 . 2 2 29 29 MET H H 1 7.558 0.016 . . . . . B 1037 MET H . 11471 1 1201 . 2 2 29 29 MET C C 13 177.955 0 . . . . . B 1037 MET C . 11471 1 1202 . 2 2 29 29 MET CA C 13 60.265 0 . . . . . B 1037 MET CA . 11471 1 1203 . 2 2 29 29 MET CB C 13 32.337 0 . . . . . B 1037 MET CB . 11471 1 1204 . 2 2 29 29 MET N N 15 121.861 0.171 . . . . . B 1037 MET N . 11471 1 1205 . 2 2 30 30 PHE H H 1 8.354 0.023 . . . . . B 1038 PHE H . 11471 1 1206 . 2 2 30 30 PHE C C 13 179.045 0 . . . . . B 1038 PHE C . 11471 1 1207 . 2 2 30 30 PHE CA C 13 61.448 0 . . . . . B 1038 PHE CA . 11471 1 1208 . 2 2 30 30 PHE N N 15 118.668 0.062 . . . . . B 1038 PHE N . 11471 1 1209 . 2 2 31 31 GLU H H 1 8.094 0.038 . . . . . B 1039 GLU H . 11471 1 1210 . 2 2 31 31 GLU C C 13 178.915 0 . . . . . B 1039 GLU C . 11471 1 1211 . 2 2 31 31 GLU CA C 13 59.114 0.021 . . . . . B 1039 GLU CA . 11471 1 1212 . 2 2 31 31 GLU CB C 13 28.702 0 . . . . . B 1039 GLU CB . 11471 1 1213 . 2 2 31 31 GLU N N 15 120.857 0.118 . . . . . B 1039 GLU N . 11471 1 1214 . 2 2 32 32 VAL H H 1 7.449 0.019 . . . . . B 1040 VAL H . 11471 1 1215 . 2 2 32 32 VAL C C 13 177.668 0 . . . . . B 1040 VAL C . 11471 1 1216 . 2 2 32 32 VAL CA C 13 65.074 0.006 . . . . . B 1040 VAL CA . 11471 1 1217 . 2 2 32 32 VAL N N 15 117.481 0.091 . . . . . B 1040 VAL N . 11471 1 1218 . 2 2 33 33 LEU H H 1 7.649 0.026 . . . . . B 1041 LEU H . 11471 1 1219 . 2 2 33 33 LEU C C 13 178.643 0 . . . . . B 1041 LEU C . 11471 1 1220 . 2 2 33 33 LEU CA C 13 57.473 0.017 . . . . . B 1041 LEU CA . 11471 1 1221 . 2 2 33 33 LEU CB C 13 42.28 0 . . . . . B 1041 LEU CB . 11471 1 1222 . 2 2 33 33 LEU N N 15 116.834 0.13 . . . . . B 1041 LEU N . 11471 1 1223 . 2 2 34 34 GLU H H 1 8.782 0.012 . . . . . B 1042 GLU H . 11471 1 1224 . 2 2 34 34 GLU CA C 13 62.47 0 . . . . . B 1042 GLU CA . 11471 1 1225 . 2 2 34 34 GLU CB C 13 26.441 0 . . . . . B 1042 GLU CB . 11471 1 1226 . 2 2 34 34 GLU N N 15 119.109 0.102 . . . . . B 1042 GLU N . 11471 1 1227 . 2 2 35 35 PRO C C 13 179.331 0 . . . . . B 1043 PRO C . 11471 1 1228 . 2 2 35 35 PRO CA C 13 65.474 0 . . . . . B 1043 PRO CA . 11471 1 1229 . 2 2 36 36 LEU H H 1 6.686 0.04 . . . . . B 1044 LEU H . 11471 1 1230 . 2 2 36 36 LEU C C 13 178.543 0 . . . . . B 1044 LEU C . 11471 1 1231 . 2 2 36 36 LEU CA C 13 57.085 0.021 . . . . . B 1044 LEU CA . 11471 1 1232 . 2 2 36 36 LEU CB C 13 38.574 0 . . . . . B 1044 LEU CB . 11471 1 1233 . 2 2 36 36 LEU N N 15 119.43 0.125 . . . . . B 1044 LEU N . 11471 1 1234 . 2 2 37 37 HIS H H 1 7.716 0.048 . . . . . B 1045 HIS H . 11471 1 1235 . 2 2 37 37 HIS C C 13 179.331 0 . . . . . B 1045 HIS C . 11471 1 1236 . 2 2 37 37 HIS CA C 13 60.797 0.038 . . . . . B 1045 HIS CA . 11471 1 1237 . 2 2 37 37 HIS CB C 13 28.513 0 . . . . . B 1045 HIS CB . 11471 1 1238 . 2 2 37 37 HIS N N 15 117.196 0.076 . . . . . B 1045 HIS N . 11471 1 1239 . 2 2 38 38 ALA H H 1 8.505 0.032 . . . . . B 1046 ALA H . 11471 1 1240 . 2 2 38 38 ALA C C 13 180.765 0 . . . . . B 1046 ALA C . 11471 1 1241 . 2 2 38 38 ALA CA C 13 55.422 0.081 . . . . . B 1046 ALA CA . 11471 1 1242 . 2 2 38 38 ALA N N 15 122.694 0.046 . . . . . B 1046 ALA N . 11471 1 1243 . 2 2 39 39 MET H H 1 7.638 0.041 . . . . . B 1047 MET H . 11471 1 1244 . 2 2 39 39 MET C C 13 177.353 0 . . . . . B 1047 MET C . 11471 1 1245 . 2 2 39 39 MET CA C 13 58.41 0.005 . . . . . B 1047 MET CA . 11471 1 1246 . 2 2 39 39 MET N N 15 118.284 0.073 . . . . . B 1047 MET N . 11471 1 1247 . 2 2 40 40 MET H H 1 7.115 0.044 . . . . . B 1048 MET H . 11471 1 1248 . 2 2 40 40 MET C C 13 179.503 0 . . . . . B 1048 MET C . 11471 1 1249 . 2 2 40 40 MET CA C 13 56.424 0.032 . . . . . B 1048 MET CA . 11471 1 1250 . 2 2 40 40 MET N N 15 115.801 0.134 . . . . . B 1048 MET N . 11471 1 1251 . 2 2 41 41 GLU H H 1 7.799 0.035 . . . . . B 1049 GLU H . 11471 1 1252 . 2 2 41 41 GLU C C 13 178.184 0 . . . . . B 1049 GLU C . 11471 1 1253 . 2 2 41 41 GLU CA C 13 59.04 0.017 . . . . . B 1049 GLU CA . 11471 1 1254 . 2 2 41 41 GLU CB C 13 29.143 0 . . . . . B 1049 GLU CB . 11471 1 1255 . 2 2 41 41 GLU N N 15 120.239 0.1 . . . . . B 1049 GLU N . 11471 1 1256 . 2 2 42 42 ARG H H 1 7.629 0.034 . . . . . B 1050 ARG H . 11471 1 1257 . 2 2 42 42 ARG C C 13 177.611 0 . . . . . B 1050 ARG C . 11471 1 1258 . 2 2 42 42 ARG CA C 13 58.145 0.01 . . . . . B 1050 ARG CA . 11471 1 1259 . 2 2 42 42 ARG CB C 13 29.426 0 . . . . . B 1050 ARG CB . 11471 1 1260 . 2 2 42 42 ARG N N 15 117.297 0.097 . . . . . B 1050 ARG N . 11471 1 1261 . 2 2 43 43 GLY H H 1 7.599 0.039 . . . . . B 1051 GLY H . 11471 1 1262 . 2 2 43 43 GLY CA C 13 43.991 0 . . . . . B 1051 GLY CA . 11471 1 1263 . 2 2 43 43 GLY N N 15 106.396 0.067 . . . . . B 1051 GLY N . 11471 1 1264 . 2 2 44 44 PRO C C 13 177.812 0 . . . . . B 1052 PRO C . 11471 1 1265 . 2 2 44 44 PRO CA C 13 62.857 0.01 . . . . . B 1052 PRO CA . 11471 1 1266 . 2 2 45 45 GLN H H 1 9.758 0.035 . . . . . B 1053 GLN H . 11471 1 1267 . 2 2 45 45 GLN C C 13 175.763 0 . . . . . B 1053 GLN C . 11471 1 1268 . 2 2 45 45 GLN CA C 13 55.756 0 . . . . . B 1053 GLN CA . 11471 1 1269 . 2 2 45 45 GLN CB C 13 30.364 0 . . . . . B 1053 GLN CB . 11471 1 1270 . 2 2 45 45 GLN N N 15 119.393 0.052 . . . . . B 1053 GLN N . 11471 1 1271 . 2 2 46 46 THR H H 1 7.231 0.043 . . . . . B 1054 THR H . 11471 1 1272 . 2 2 46 46 THR CA C 13 58.998 0 . . . . . B 1054 THR CA . 11471 1 1273 . 2 2 46 46 THR CB C 13 71.75 0 . . . . . B 1054 THR CB . 11471 1 1274 . 2 2 46 46 THR N N 15 108.676 0.058 . . . . . B 1054 THR N . 11471 1 1275 . 2 2 48 48 LYS C C 13 180.134 0 . . . . . B 1056 LYS C . 11471 1 1276 . 2 2 48 48 LYS CA C 13 59.62 0 . . . . . B 1056 LYS CA . 11471 1 1277 . 2 2 49 49 GLU H H 1 7.841 0.041 . . . . . B 1057 GLU H . 11471 1 1278 . 2 2 49 49 GLU C C 13 178.729 0 . . . . . B 1057 GLU C . 11471 1 1279 . 2 2 49 49 GLU CA C 13 59.374 0.074 . . . . . B 1057 GLU CA . 11471 1 1280 . 2 2 49 49 GLU N N 15 121.458 0.102 . . . . . B 1057 GLU N . 11471 1 1281 . 2 2 50 50 THR H H 1 8.455 0.043 . . . . . B 1058 THR H . 11471 1 1282 . 2 2 50 50 THR C C 13 176.636 0 . . . . . B 1058 THR C . 11471 1 1283 . 2 2 50 50 THR CA C 13 67.497 0.049 . . . . . B 1058 THR CA . 11471 1 1284 . 2 2 50 50 THR N N 15 118.911 0.067 . . . . . B 1058 THR N . 11471 1 1285 . 2 2 51 51 SER H H 1 8.465 0.016 . . . . . B 1059 SER H . 11471 1 1286 . 2 2 51 51 SER C C 13 177.123 0 . . . . . B 1059 SER C . 11471 1 1287 . 2 2 51 51 SER CA C 13 61.884 0.027 . . . . . B 1059 SER CA . 11471 1 1288 . 2 2 51 51 SER N N 15 118.163 0.032 . . . . . B 1059 SER N . 11471 1 1289 . 2 2 52 52 PHE H H 1 8.175 0.053 . . . . . B 1060 PHE H . 11471 1 1290 . 2 2 52 52 PHE C C 13 177.267 0 . . . . . B 1060 PHE C . 11471 1 1291 . 2 2 52 52 PHE CA C 13 61.95 0.05 . . . . . B 1060 PHE CA . 11471 1 1292 . 2 2 52 52 PHE CB C 13 38.999 0 . . . . . B 1060 PHE CB . 11471 1 1293 . 2 2 52 52 PHE N N 15 124.08 0.073 . . . . . B 1060 PHE N . 11471 1 1294 . 2 2 53 53 ASN H H 1 9.135 0.051 . . . . . B 1061 ASN H . 11471 1 1295 . 2 2 53 53 ASN C C 13 178.787 0 . . . . . B 1061 ASN C . 11471 1 1296 . 2 2 53 53 ASN CA C 13 57.269 0.055 . . . . . B 1061 ASN CA . 11471 1 1297 . 2 2 53 53 ASN CB C 13 39.734 0.033 . . . . . B 1061 ASN CB . 11471 1 1298 . 2 2 53 53 ASN N N 15 118.724 0.096 . . . . . B 1061 ASN N . 11471 1 1299 . 2 2 54 54 GLN H H 1 8.634 0.052 . . . . . B 1062 GLN H . 11471 1 1300 . 2 2 54 54 GLN C C 13 177.439 0 . . . . . B 1062 GLN C . 11471 1 1301 . 2 2 54 54 GLN CA C 13 58.903 0.005 . . . . . B 1062 GLN CA . 11471 1 1302 . 2 2 54 54 GLN CB C 13 27.998 0 . . . . . B 1062 GLN CB . 11471 1 1303 . 2 2 54 54 GLN N N 15 118.906 0.1 . . . . . B 1062 GLN N . 11471 1 1304 . 2 2 55 55 ALA H H 1 7.417 0.06 . . . . . B 1063 ALA H . 11471 1 1305 . 2 2 55 55 ALA C C 13 179.721 0 . . . . . B 1063 ALA C . 11471 1 1306 . 2 2 55 55 ALA CA C 13 54.454 0.006 . . . . . B 1063 ALA CA . 11471 1 1307 . 2 2 55 55 ALA N N 15 120.135 0.101 . . . . . B 1063 ALA N . 11471 1 1308 . 2 2 56 56 TYR H H 1 7.826 0.064 . . . . . B 1064 TYR H . 11471 1 1309 . 2 2 56 56 TYR C C 13 176.349 0 . . . . . B 1064 TYR C . 11471 1 1310 . 2 2 56 56 TYR CA C 13 57.169 0.01 . . . . . B 1064 TYR CA . 11471 1 1311 . 2 2 56 56 TYR CB C 13 39.82 0 . . . . . B 1064 TYR CB . 11471 1 1312 . 2 2 56 56 TYR N N 15 112.882 0.072 . . . . . B 1064 TYR N . 11471 1 1313 . 2 2 57 57 GLY H H 1 8.289 0.058 . . . . . B 1065 GLY H . 11471 1 1314 . 2 2 57 57 GLY C C 13 176.407 0 . . . . . B 1065 GLY C . 11471 1 1315 . 2 2 57 57 GLY CA C 13 48.079 0 . . . . . B 1065 GLY CA . 11471 1 1316 . 2 2 57 57 GLY N N 15 107.804 0.09 . . . . . B 1065 GLY N . 11471 1 1317 . 2 2 58 58 ARG H H 1 8.51 0.012 . . . . . B 1066 ARG H . 11471 1 1318 . 2 2 58 58 ARG C C 13 178.758 0 . . . . . B 1066 ARG C . 11471 1 1319 . 2 2 58 58 ARG CA C 13 59.768 0.005 . . . . . B 1066 ARG CA . 11471 1 1320 . 2 2 58 58 ARG CB C 13 28.542 0 . . . . . B 1066 ARG CB . 11471 1 1321 . 2 2 58 58 ARG N N 15 122.605 0.066 . . . . . B 1066 ARG N . 11471 1 1322 . 2 2 59 59 ASP H H 1 8.054 0.056 . . . . . B 1067 ASP H . 11471 1 1323 . 2 2 59 59 ASP C C 13 178.5 0 . . . . . B 1067 ASP C . 11471 1 1324 . 2 2 59 59 ASP CA C 13 57.696 0.006 . . . . . B 1067 ASP CA . 11471 1 1325 . 2 2 59 59 ASP CB C 13 40.674 0 . . . . . B 1067 ASP CB . 11471 1 1326 . 2 2 59 59 ASP N N 15 120.682 0.109 . . . . . B 1067 ASP N . 11471 1 1327 . 2 2 60 60 LEU H H 1 8.081 0.053 . . . . . B 1068 LEU H . 11471 1 1328 . 2 2 60 60 LEU C C 13 179.059 0 . . . . . B 1068 LEU C . 11471 1 1329 . 2 2 60 60 LEU CA C 13 57.815 0.043 . . . . . B 1068 LEU CA . 11471 1 1330 . 2 2 60 60 LEU CB C 13 40.864 0 . . . . . B 1068 LEU CB . 11471 1 1331 . 2 2 60 60 LEU N N 15 117.792 0.094 . . . . . B 1068 LEU N . 11471 1 1332 . 2 2 61 61 MET H H 1 8.33 0.059 . . . . . B 1069 MET H . 11471 1 1333 . 2 2 61 61 MET C C 13 179.561 0 . . . . . B 1069 MET C . 11471 1 1334 . 2 2 61 61 MET CA C 13 59.036 0.033 . . . . . B 1069 MET CA . 11471 1 1335 . 2 2 61 61 MET CB C 13 32.876 0 . . . . . B 1069 MET CB . 11471 1 1336 . 2 2 61 61 MET N N 15 120.209 0.091 . . . . . B 1069 MET N . 11471 1 1337 . 2 2 62 62 GLU H H 1 8.327 0.018 . . . . . B 1070 GLU H . 11471 1 1338 . 2 2 62 62 GLU C C 13 178.672 0 . . . . . B 1070 GLU C . 11471 1 1339 . 2 2 62 62 GLU CA C 13 59.469 0.024 . . . . . B 1070 GLU CA . 11471 1 1340 . 2 2 62 62 GLU CB C 13 28.497 0 . . . . . B 1070 GLU CB . 11471 1 1341 . 2 2 62 62 GLU N N 15 121.76 0.085 . . . . . B 1070 GLU N . 11471 1 1342 . 2 2 63 63 ALA H H 1 8.36 0.047 . . . . . B 1071 ALA H . 11471 1 1343 . 2 2 63 63 ALA C C 13 179.733 0 . . . . . B 1071 ALA C . 11471 1 1344 . 2 2 63 63 ALA CA C 13 56.528 0.006 . . . . . B 1071 ALA CA . 11471 1 1345 . 2 2 63 63 ALA N N 15 123.741 0.052 . . . . . B 1071 ALA N . 11471 1 1346 . 2 2 64 64 GLN H H 1 8.024 0.02 . . . . . B 1072 GLN H . 11471 1 1347 . 2 2 64 64 GLN C C 13 178.184 0 . . . . . B 1072 GLN C . 11471 1 1348 . 2 2 64 64 GLN CA C 13 59.539 0.005 . . . . . B 1072 GLN CA . 11471 1 1349 . 2 2 64 64 GLN CB C 13 27.325 0 . . . . . B 1072 GLN CB . 11471 1 1350 . 2 2 64 64 GLN N N 15 117.668 0.093 . . . . . B 1072 GLN N . 11471 1 1351 . 2 2 65 65 GLU H H 1 7.954 0.018 . . . . . B 1073 GLU H . 11471 1 1352 . 2 2 65 65 GLU C C 13 180.048 0 . . . . . B 1073 GLU C . 11471 1 1353 . 2 2 65 65 GLU CA C 13 59.551 0.022 . . . . . B 1073 GLU CA . 11471 1 1354 . 2 2 65 65 GLU CB C 13 27.959 0 . . . . . B 1073 GLU CB . 11471 1 1355 . 2 2 65 65 GLU N N 15 120.797 0.14 . . . . . B 1073 GLU N . 11471 1 1356 . 2 2 66 66 TRP H H 1 8.22 0.037 . . . . . B 1074 TRP H . 11471 1 1357 . 2 2 66 66 TRP C C 13 178.93 0 . . . . . B 1074 TRP C . 11471 1 1358 . 2 2 66 66 TRP CA C 13 61.692 0.004 . . . . . B 1074 TRP CA . 11471 1 1359 . 2 2 66 66 TRP CB C 13 28.702 0 . . . . . B 1074 TRP CB . 11471 1 1360 . 2 2 66 66 TRP N N 15 121.37 0.108 . . . . . B 1074 TRP N . 11471 1 1361 . 2 2 67 67 CYS H H 1 8.176 0.042 . . . . . B 1075 CYS H . 11471 1 1362 . 2 2 67 67 CYS C C 13 177.295 0 . . . . . B 1075 CYS C . 11471 1 1363 . 2 2 67 67 CYS CA C 13 64.93 0.018 . . . . . B 1075 CYS CA . 11471 1 1364 . 2 2 67 67 CYS N N 15 118.469 0.105 . . . . . B 1075 CYS N . 11471 1 1365 . 2 2 68 68 ARG H H 1 8.562 0.042 . . . . . B 1076 ARG H . 11471 1 1366 . 2 2 68 68 ARG C C 13 180.048 0 . . . . . B 1076 ARG C . 11471 1 1367 . 2 2 68 68 ARG CA C 13 59.869 0.036 . . . . . B 1076 ARG CA . 11471 1 1368 . 2 2 68 68 ARG CB C 13 29.174 0 . . . . . B 1076 ARG CB . 11471 1 1369 . 2 2 68 68 ARG N N 15 120.349 0.114 . . . . . B 1076 ARG N . 11471 1 1370 . 2 2 69 69 LYS H H 1 8.356 0.045 . . . . . B 1077 LYS H . 11471 1 1371 . 2 2 69 69 LYS C C 13 179.675 0 . . . . . B 1077 LYS C . 11471 1 1372 . 2 2 69 69 LYS CA C 13 60.623 0.06 . . . . . B 1077 LYS CA . 11471 1 1373 . 2 2 69 69 LYS CB C 13 31.485 0 . . . . . B 1077 LYS CB . 11471 1 1374 . 2 2 69 69 LYS N N 15 122.159 0.05 . . . . . B 1077 LYS N . 11471 1 1375 . 2 2 70 70 TYR H H 1 8.413 0.014 . . . . . B 1078 TYR H . 11471 1 1376 . 2 2 70 70 TYR C C 13 177.984 0 . . . . . B 1078 TYR C . 11471 1 1377 . 2 2 70 70 TYR CA C 13 60.971 0.043 . . . . . B 1078 TYR CA . 11471 1 1378 . 2 2 70 70 TYR CB C 13 37.329 0 . . . . . B 1078 TYR CB . 11471 1 1379 . 2 2 70 70 TYR N N 15 121.392 0.116 . . . . . B 1078 TYR N . 11471 1 1380 . 2 2 71 71 MET H H 1 8.071 0.049 . . . . . B 1079 MET H . 11471 1 1381 . 2 2 71 71 MET C C 13 177.439 0 . . . . . B 1079 MET C . 11471 1 1382 . 2 2 71 71 MET CA C 13 58.165 0.005 . . . . . B 1079 MET CA . 11471 1 1383 . 2 2 71 71 MET CB C 13 31.18 0 . . . . . B 1079 MET CB . 11471 1 1384 . 2 2 71 71 MET N N 15 118.555 0.113 . . . . . B 1079 MET N . 11471 1 1385 . 2 2 72 72 LYS H H 1 7.246 0.052 . . . . . B 1080 LYS H . 11471 1 1386 . 2 2 72 72 LYS C C 13 177.668 0 . . . . . B 1080 LYS C . 11471 1 1387 . 2 2 72 72 LYS CA C 13 57.492 0.021 . . . . . B 1080 LYS CA . 11471 1 1388 . 2 2 72 72 LYS CB C 13 32.876 0.11 . . . . . B 1080 LYS CB . 11471 1 1389 . 2 2 72 72 LYS N N 15 115.953 0.053 . . . . . B 1080 LYS N . 11471 1 1390 . 2 2 73 73 SER H H 1 9 0.057 . . . . . B 1081 SER H . 11471 1 1391 . 2 2 73 73 SER C C 13 176.751 0 . . . . . B 1081 SER C . 11471 1 1392 . 2 2 73 73 SER CA C 13 59.392 0.012 . . . . . B 1081 SER CA . 11471 1 1393 . 2 2 73 73 SER CB C 13 63.92 0 . . . . . B 1081 SER CB . 11471 1 1394 . 2 2 73 73 SER N N 15 116.007 0.063 . . . . . B 1081 SER N . 11471 1 1395 . 2 2 74 74 GLY H H 1 8.873 0.062 . . . . . B 1082 GLY H . 11471 1 1396 . 2 2 74 74 GLY C C 13 173.568 0 . . . . . B 1082 GLY C . 11471 1 1397 . 2 2 74 74 GLY CA C 13 46.247 0.044 . . . . . B 1082 GLY CA . 11471 1 1398 . 2 2 74 74 GLY N N 15 113.707 0.094 . . . . . B 1082 GLY N . 11471 1 1399 . 2 2 75 75 ASN H H 1 8.951 0.079 . . . . . B 1083 ASN H . 11471 1 1400 . 2 2 75 75 ASN C C 13 176.808 0 . . . . . B 1083 ASN C . 11471 1 1401 . 2 2 75 75 ASN CA C 13 52.307 0.019 . . . . . B 1083 ASN CA . 11471 1 1402 . 2 2 75 75 ASN CB C 13 37.901 0 . . . . . B 1083 ASN CB . 11471 1 1403 . 2 2 75 75 ASN N N 15 119.463 0.135 . . . . . B 1083 ASN N . 11471 1 1404 . 2 2 76 76 VAL H H 1 9.261 0.109 . . . . . B 1084 VAL H . 11471 1 1405 . 2 2 76 76 VAL N N 15 128.268 0.113 . . . . . B 1084 VAL N . 11471 1 1406 . 2 2 77 77 LYS C C 13 179.245 0 . . . . . B 1085 LYS C . 11471 1 1407 . 2 2 77 77 LYS CA C 13 59.099 0 . . . . . B 1085 LYS CA . 11471 1 1408 . 2 2 77 77 LYS CB C 13 31.096 0 . . . . . B 1085 LYS CB . 11471 1 1409 . 2 2 78 78 ASP H H 1 8.095 0.097 . . . . . B 1086 ASP H . 11471 1 1410 . 2 2 78 78 ASP C C 13 177.754 0 . . . . . B 1086 ASP C . 11471 1 1411 . 2 2 78 78 ASP CA C 13 58.226 0.027 . . . . . B 1086 ASP CA . 11471 1 1412 . 2 2 78 78 ASP CB C 13 40.447 0 . . . . . B 1086 ASP CB . 11471 1 1413 . 2 2 78 78 ASP N N 15 120.311 0.148 . . . . . B 1086 ASP N . 11471 1 1414 . 2 2 79 79 LEU H H 1 6.832 0.096 . . . . . B 1087 LEU H . 11471 1 1415 . 2 2 79 79 LEU CA C 13 56.786 0 . . . . . B 1087 LEU CA . 11471 1 1416 . 2 2 79 79 LEU N N 15 118.682 0.089 . . . . . B 1087 LEU N . 11471 1 1417 . 2 2 80 80 THR H H 1 8.632 0.118 . . . . . B 1088 THR H . 11471 1 1418 . 2 2 80 80 THR C C 13 178.914 0 . . . . . B 1088 THR C . 11471 1 1419 . 2 2 80 80 THR N N 15 115.18 0.112 . . . . . B 1088 THR N . 11471 1 1420 . 2 2 81 81 GLN H H 1 7.328 0 . . . . . B 1089 GLN H . 11471 1 1421 . 2 2 81 81 GLN C C 13 178.959 0 . . . . . B 1089 GLN C . 11471 1 1422 . 2 2 81 81 GLN CA C 13 58.622 0 . . . . . B 1089 GLN CA . 11471 1 1423 . 2 2 81 81 GLN N N 15 120.325 0 . . . . . B 1089 GLN N . 11471 1 1424 . 2 2 82 82 ALA H H 1 7.217 0.085 . . . . . B 1090 ALA H . 11471 1 1425 . 2 2 82 82 ALA C C 13 178.701 0 . . . . . B 1090 ALA C . 11471 1 1426 . 2 2 82 82 ALA CA C 13 56.053 0.005 . . . . . B 1090 ALA CA . 11471 1 1427 . 2 2 82 82 ALA CB C 13 19.074 0 . . . . . B 1090 ALA CB . 11471 1 1428 . 2 2 82 82 ALA N N 15 120.36 0.109 . . . . . B 1090 ALA N . 11471 1 1429 . 2 2 83 83 TRP H H 1 8.061 0.083 . . . . . B 1091 TRP H . 11471 1 1430 . 2 2 83 83 TRP CA C 13 61.886 0 . . . . . B 1091 TRP CA . 11471 1 1431 . 2 2 83 83 TRP CB C 13 28.98 0 . . . . . B 1091 TRP CB . 11471 1 1432 . 2 2 83 83 TRP N N 15 114.619 0.071 . . . . . B 1091 TRP N . 11471 1 1433 . 2 2 84 84 ASP C C 13 179.002 0 . . . . . B 1092 ASP C . 11471 1 1434 . 2 2 84 84 ASP CA C 13 58.453 0 . . . . . B 1092 ASP CA . 11471 1 1435 . 2 2 85 85 LEU H H 1 6.911 0.082 . . . . . B 1093 LEU H . 11471 1 1436 . 2 2 85 85 LEU C C 13 180.048 0 . . . . . B 1093 LEU C . 11471 1 1437 . 2 2 85 85 LEU CA C 13 58.145 0.023 . . . . . B 1093 LEU CA . 11471 1 1438 . 2 2 85 85 LEU CB C 13 42.345 0 . . . . . B 1093 LEU CB . 11471 1 1439 . 2 2 85 85 LEU N N 15 119.975 0.085 . . . . . B 1093 LEU N . 11471 1 1440 . 2 2 86 86 TYR H H 1 8.835 0.071 . . . . . B 1094 TYR H . 11471 1 1441 . 2 2 86 86 TYR C C 13 179.217 0 . . . . . B 1094 TYR C . 11471 1 1442 . 2 2 86 86 TYR CA C 13 60.584 0.081 . . . . . B 1094 TYR CA . 11471 1 1443 . 2 2 86 86 TYR N N 15 118.597 0.083 . . . . . B 1094 TYR N . 11471 1 1444 . 2 2 87 87 TYR H H 1 9.326 0.076 . . . . . B 1095 TYR H . 11471 1 1445 . 2 2 87 87 TYR C C 13 177.095 0 . . . . . B 1095 TYR C . 11471 1 1446 . 2 2 87 87 TYR CA C 13 58.614 0.021 . . . . . B 1095 TYR CA . 11471 1 1447 . 2 2 87 87 TYR CB C 13 37.583 0 . . . . . B 1095 TYR CB . 11471 1 1448 . 2 2 87 87 TYR N N 15 118.857 0.059 . . . . . B 1095 TYR N . 11471 1 1449 . 2 2 88 88 HIS H H 1 7.73 0.079 . . . . . B 1096 HIS H . 11471 1 1450 . 2 2 88 88 HIS C C 13 179.145 0 . . . . . B 1096 HIS C . 11471 1 1451 . 2 2 88 88 HIS CA C 13 59.982 0.002 . . . . . B 1096 HIS CA . 11471 1 1452 . 2 2 88 88 HIS CB C 13 30.207 0 . . . . . B 1096 HIS CB . 11471 1 1453 . 2 2 88 88 HIS N N 15 118.823 0.169 . . . . . B 1096 HIS N . 11471 1 1454 . 2 2 89 89 VAL H H 1 7.996 0.073 . . . . . B 1097 VAL H . 11471 1 1455 . 2 2 89 89 VAL C C 13 176.751 0 . . . . . B 1097 VAL C . 11471 1 1456 . 2 2 89 89 VAL CA C 13 67.511 0.064 . . . . . B 1097 VAL CA . 11471 1 1457 . 2 2 89 89 VAL N N 15 119.577 0.102 . . . . . B 1097 VAL N . 11471 1 1458 . 2 2 90 90 PHE H H 1 9.078 0.06 . . . . . B 1098 PHE H . 11471 1 1459 . 2 2 90 90 PHE C C 13 178.184 0 . . . . . B 1098 PHE C . 11471 1 1460 . 2 2 90 90 PHE CA C 13 62.586 0.024 . . . . . B 1098 PHE CA . 11471 1 1461 . 2 2 90 90 PHE CB C 13 39.881 0 . . . . . B 1098 PHE CB . 11471 1 1462 . 2 2 90 90 PHE N N 15 119.797 0.084 . . . . . B 1098 PHE N . 11471 1 1463 . 2 2 91 91 ARG H H 1 8.644 0.072 . . . . . B 1099 ARG H . 11471 1 1464 . 2 2 91 91 ARG C C 13 178.701 0 . . . . . B 1099 ARG C . 11471 1 1465 . 2 2 91 91 ARG CA C 13 59.571 0.017 . . . . . B 1099 ARG CA . 11471 1 1466 . 2 2 91 91 ARG N N 15 117.128 0.127 . . . . . B 1099 ARG N . 11471 1 1467 . 2 2 92 92 ARG H H 1 7.374 0.077 . . . . . B 1100 ARG H . 11471 1 1468 . 2 2 92 92 ARG C C 13 178.959 0 . . . . . B 1100 ARG C . 11471 1 1469 . 2 2 92 92 ARG CA C 13 58.955 0.036 . . . . . B 1100 ARG CA . 11471 1 1470 . 2 2 92 92 ARG CB C 13 30.232 0 . . . . . B 1100 ARG CB . 11471 1 1471 . 2 2 92 92 ARG N N 15 118.068 0.084 . . . . . B 1100 ARG N . 11471 1 1472 . 2 2 93 93 ILE H H 1 7.99 0.093 . . . . . B 1101 ILE H . 11471 1 1473 . 2 2 93 93 ILE C C 13 177.238 0 . . . . . B 1101 ILE C . 11471 1 1474 . 2 2 93 93 ILE CA C 13 64.013 0.023 . . . . . B 1101 ILE CA . 11471 1 1475 . 2 2 93 93 ILE N N 15 116.399 0.22 . . . . . B 1101 ILE N . 11471 1 1476 . 2 2 94 94 SER H H 1 7.521 0.078 . . . . . B 1102 SER H . 11471 1 1477 . 2 2 94 94 SER C C 13 173.74 0 . . . . . B 1102 SER C . 11471 1 1478 . 2 2 94 94 SER CA C 13 59.564 0.026 . . . . . B 1102 SER CA . 11471 1 1479 . 2 2 94 94 SER CB C 13 63.304 0 . . . . . B 1102 SER CB . 11471 1 1480 . 2 2 94 94 SER N N 15 115.276 0.192 . . . . . B 1102 SER N . 11471 1 stop_ save_