data_11569 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11569 _Entry.Title ; Chemical Shift Assignments for MIP and MDM2 in bound state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-03 _Entry.Accession_date 2014-06-04 _Entry.Last_release_date 2015-06-02 _Entry.Original_release_date 2015-06-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Takashi Nagata . . . 11569 2 Kie Shirakawa . . . 11569 3 Naohiro Kobayashi . . . 11569 4 Hidekazu Shiheido . . . 11569 5 Kenichi Horisawa . . . 11569 6 Masato Katahira . . . 11569 7 Nobuhide Doi . . . 11569 8 Hiroshi Yanagawa . . . 11569 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' . 11569 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 11569 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11569 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 575 11569 '15N chemical shifts' 115 11569 '1H chemical shifts' 863 11569 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 . . 2015-06-02 . original BMRB . 11569 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RUH 'BMRB Entry Tracking System' 11569 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11569 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25275651 _Citation.Full_citation . _Citation.Title ; Structural Basis for Inhibition of the MDM2:p53 Interaction by an Optimized MDM2-Binding Peptide Selected with mRNA Display ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plos One' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1932-6203 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e109163 _Citation.Page_last e109163 _Citation.Year 2014 _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 Takashi Nagata . . . 11569 1 2 Kie Shirakawa . . . 11569 1 3 Naohiro Kobayashi . . . 11569 1 4 Hidekazu Shiheido . . . 11569 1 5 Kenichi Horisawa . . . 11569 1 6 Masato Katahira . . . 11569 1 7 Nobuhide Doi . . . 11569 1 8 Hiroshi Yanagawa . . . 11569 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11569 _Assembly.ID 1 _Assembly.Name MIP-MDM2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 $MIP-MDM2 A . yes native no no . . . 11569 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MIP-MDM2 _Entity.Sf_category entity _Entity.Sf_framecode MIP-MDM2 _Entity.Entry_ID 11569 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MIP-MDM2 _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 ; MPRFWEYWLRLMEGGGENLY FQGMSVPTDGAVTTSQIPAS EQETLVRPKPLLLKLLKSVG AQKDTYTMKEVLFYLGQYIM TKRLYDEKQQHIVYCSNDLL GDLFGVPSFSVKEHRKIYTM MASMTGGQQMG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues -11Met to 1Glu corresponds to 0Met to 12Glu of MIP peptide, residues 2Gly to 10Gln represents TEV cleavage sequence, residues 11Gly to 108Met corresponds to MDM2, and residues M109 to 119Gly represents T7tag." ; _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'MIP-MDM2 fusion' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15031.517 _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 18755 . entity_1 . . . . . 75.57 124 96.97 97.98 8.21e-61 . . . . 11569 1 2 no BMRB 18876 . entity_1 . . . . . 75.57 107 97.98 98.99 1.22e-63 . . . . 11569 1 3 no BMRB 2410 . "N-terminal domain of the human murine double minute clone 2 protein" . . . . . 75.57 119 97.98 98.99 6.47e-64 . . . . 11569 1 4 no PDB 1RV1 . "Crystal Structure Of Human Mdm2 With An Imidazoline Inhibitor" . . . . . 60.31 85 97.47 98.73 2.51e-47 . . . . 11569 1 5 no PDB 1T4E . "Structure Of Human Mdm2 In Complex With A Benzodiazepine Inhibitor" . . . . . 66.41 96 98.85 100.00 9.35e-55 . . . . 11569 1 6 no PDB 1T4F . "Structure Of Human Mdm2 In Complex With An Optimized P53 Peptide" . . . . . 66.41 110 98.85 100.00 4.17e-55 . . . . 11569 1 7 no PDB 1YCR . "Mdm2 Bound To The Transactivation Domain Of P53" . . . . . 66.41 109 98.85 100.00 3.40e-55 . . . . 11569 1 8 no PDB 1Z1M . "Nmr Structure Of Unliganded Mdm2" . . . . . 75.57 119 97.98 98.99 6.47e-64 . . . . 11569 1 9 no PDB 2AXI . "Hdm2 In Complex With A Beta-hairpin" . . . . . 66.41 115 98.85 100.00 3.35e-55 . . . . 11569 1 10 no PDB 2GV2 . "Mdm2 In Complex With An 8-Mer P53 Peptide Analogue" . . . . . 66.41 110 98.85 100.00 4.17e-55 . . . . 11569 1 11 no PDB 2LZG . "Nmr Structure Of Mdm2 (6-125) With Pip-1" . . . . . 75.57 125 97.98 98.99 6.85e-64 . . . . 11569 1 12 no PDB 2M86 . "Solution Structure Of Hdm2 With Engineered Cyclotide" . . . . . 66.41 129 98.85 100.00 5.43e-55 . . . . 11569 1 13 no PDB 2MPS . "Structure Of Complex Of Mdm2(3-109) And P73 Tad(10-25)" . . . . . 75.57 107 97.98 98.99 1.22e-63 . . . . 11569 1 14 no PDB 2RUH . "Chemical Shift Assignments For Mip And Mdm2 In Bound State" . . . . . 100.00 131 100.00 100.00 3.92e-91 . . . . 11569 1 15 no PDB 3EQS . "Crystal Structure Of Human Mdm2 In Complex With A 12-Mer Peptide Inhibitor" . . . . . 60.31 85 98.73 100.00 2.00e-48 . . . . 11569 1 16 no PDB 3G03 . "Structure Of Human Mdm2 In Complex With High Affinity Peptide" . . . . . 65.65 109 98.84 100.00 1.85e-54 . . . . 11569 1 17 no PDB 3IUX . "Crystal Structure Of Human Mdm2 In Complex With A Potent Miniature Protein Inhibitor (18-Residues)" . . . . . 60.31 85 98.73 100.00 2.00e-48 . . . . 11569 1 18 no PDB 3IWY . "Crystal Structure Of Human Mdm2 Complexed With D-peptide (12 Residues)" . . . . . 60.31 85 98.73 100.00 2.00e-48 . . . . 11569 1 19 no PDB 3JZK . "Crystal Structure Of Mdm2 With Chromenotriazolopyrimidine 1" . . . . . 66.41 96 98.85 100.00 9.35e-55 . . . . 11569 1 20 no PDB 3JZR . "Human Mdm2 Liganded With A 12mer Peptide Inhibitor (Pdi6w)" . . . . . 66.41 110 98.85 100.00 4.17e-55 . . . . 11569 1 21 no PDB 3JZS . "Human Mdm2 Liganded With A 12mer Peptide Inhibitor (Pdiq)" . . . . . 61.07 86 98.75 100.00 3.32e-49 . . . . 11569 1 22 no PDB 3LBK . "Structure Of Human Mdm2 Protein In Complex With A Small Molecule Inhibitor" . . . . . 65.65 95 97.67 98.84 4.36e-53 . . . . 11569 1 23 no PDB 3LBL . "Structure Of Human Mdm2 Protein In Complex With Mi-63-Analog" . . . . . 65.65 95 98.84 100.00 3.86e-54 . . . . 11569 1 24 no PDB 3LNJ . "Crystal Structure Of Human Mdm2 In Complex With D-Peptide Inhibitor (Dpmi-Alpha)" . . . . . 60.31 85 98.73 100.00 2.00e-48 . . . . 11569 1 25 no PDB 3LNZ . "Crystal Structure Of Human Mdm2 With A 12-Mer Peptide Inhibitor Pmi (N8a Mutant)" . . . . . 60.31 85 98.73 100.00 2.00e-48 . . . . 11569 1 26 no PDB 3TJ2 . "Structure Of A Novel Submicromolar Mdm2 Inhibitor" . . . . . 65.65 95 98.84 100.00 3.86e-54 . . . . 11569 1 27 no PDB 3TPX . "Crystal Structure Of Human Mdm2 In Complex With A Trifluoromethylated D-peptide Inhibitor" . . . . . 60.31 85 98.73 100.00 2.00e-48 . . . . 11569 1 28 no PDB 3TU1 . "Exhaustive Fluorine Scanning Towards Potent P53-Mdm2 Antagonist" . . . . . 65.65 108 98.84 100.00 1.88e-54 . . . . 11569 1 29 no PDB 3V3B . "Structure Of The Stapled P53 Peptide Bound To Mdm2" . . . . . 61.07 88 98.75 100.00 3.29e-49 . . . . 11569 1 30 no PDB 3VBG . "Structure Of Hdm2 With Dimer Inducing Indolyl Hydantoin Ro-2443" . . . . . 60.31 85 97.47 98.73 2.51e-47 . . . . 11569 1 31 no PDB 3VZV . "Crystal Structure Of Human Mdm2 With A Dihydroimidazothiazole Inhibitor" . . . . . 60.31 87 97.47 98.73 2.90e-47 . . . . 11569 1 32 no PDB 3W69 . "Crystal Structure Of Human Mdm2 With A Dihydroimidazothiazole Inhibitor" . . . . . 60.31 87 97.47 98.73 2.90e-47 . . . . 11569 1 33 no PDB 4DIJ . "The Central Valine Concept Provides An Entry In A New Class Of Non Peptide Inhibitors Of The P53-Mdm2 Interaction" . . . . . 66.41 96 97.70 98.85 1.23e-53 . . . . 11569 1 34 no PDB 4ERE . "Crystal Structure Of Mdm2 (17-111) In Complex With Compound 23" . . . . . 66.41 96 98.85 100.00 9.35e-55 . . . . 11569 1 35 no PDB 4ERF . "Crystal Structure Of Mdm2 (17-111) In Complex With Compound 29 (Am- 8553)" . . . . . 66.41 96 98.85 100.00 9.35e-55 . . . . 11569 1 36 no PDB 4HBM . "Ordering Of The N Terminus Of Human Mdm2 By Small Molecule Inhibitors" . . . . . 74.81 120 98.98 100.00 1.01e-63 . . . . 11569 1 37 no PDB 4JV7 . "Co-crystal Structure Of Mdm2 With Inhibitor (2s,5r,6s)-2-benzyl-5,6- Bis(4-bromophenyl)-4-methylmorpholin-3-one" . . . . . 65.65 96 98.84 100.00 4.15e-54 . . . . 11569 1 38 no PDB 4JV9 . "Co-crystal Structure Of Mdm2 With Inhibitor (2s,5r,6s)-2-benzyl-5,6- Bis(4-chlorophenyl)-4-methylmorpholin-3-one" . . . . . 65.65 96 98.84 100.00 4.15e-54 . . . . 11569 1 39 no PDB 4JVE . "Co-crystal Structure Of Mdm2 With Inhibitor (2r,3e)-2-[(2s,3r,6s)-2,3- Bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-" . . . . . 65.65 96 98.84 100.00 4.15e-54 . . . . 11569 1 40 no PDB 4JVR . "Co-crystal Structure Of Mdm2 With Inhibitor (2's,3r,4's,5'r)-n-(2- Aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2- D" . . . . . 65.65 96 98.84 100.00 4.15e-54 . . . . 11569 1 41 no PDB 4JWR . "Co-crystal Structure Of Mdm2 With Inhibitor {(2s,5r,6s)-6-(3- Chlorophenyl)-5-(4-chlorophenyl)-4-[(2s)-1-hydroxybutan-2-yl]-3- " . . . . . 66.41 95 98.85 100.00 7.30e-55 . . . . 11569 1 42 no PDB 4MDN . "Structure Of A Novel Submicromolar Mdm2 Inhibitor" . . . . . 65.65 94 98.84 100.00 4.04e-54 . . . . 11569 1 43 no PDB 4MDQ . "Structure Of A Novel Submicromolar Mdm2 Inhibitor" . . . . . 60.31 86 98.73 100.00 1.73e-48 . . . . 11569 1 44 no PDB 4OAS . "Co-crystal Structure Of Mdm2 (17-111) In Complex With Compound 25" . . . . . 66.41 96 98.85 100.00 9.35e-55 . . . . 11569 1 45 no PDB 4OBA . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 4" . . . . . 66.41 96 98.85 100.00 9.35e-55 . . . . 11569 1 46 no PDB 4OCC . "Co-crystal Structure Of Mdm2(17-111) In Complex With Compound 48" . . . . . 66.41 96 98.85 100.00 9.35e-55 . . . . 11569 1 47 no PDB 4ODE . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 4" . . . . . 74.81 105 98.98 100.00 2.10e-63 . . . . 11569 1 48 no PDB 4ODF . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 47" . . . . . 74.81 105 98.98 100.00 2.10e-63 . . . . 11569 1 49 no PDB 4OGN . "Co-crystal Structure Of Mdm2 With Inhbitor Compound 3" . . . . . 74.81 105 98.98 100.00 2.10e-63 . . . . 11569 1 50 no PDB 4OGT . "Co-crystal Structure Of Mdm2 With Inhbitor Compound 46" . . . . . 74.81 105 98.98 100.00 2.10e-63 . . . . 11569 1 51 no PDB 4OGV . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 49" . . . . . 66.41 95 98.85 100.00 7.30e-55 . . . . 11569 1 52 no PDB 4OQ3 . "Tetra-substituted Imidazoles As A New Class Of Inhibitors Of The P53- Mdm2 Interaction" . . . . . 66.41 96 97.70 98.85 1.23e-53 . . . . 11569 1 53 no PDB 4QO4 . "Co-crystal Structure Of Mdm2 (17-111) With Compound 16, {(3r,5r,6s)-5- (3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-(6-cyclopr" . . . . . 66.41 96 98.85 100.00 9.35e-55 . . . . 11569 1 54 no PDB 4QOC . "Crystal Structure Of Compound 16 Bound To Mdm2(17-111), {(3r,5r,6s)-5- (3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-cyclopropy" . . . . . 66.41 96 98.85 100.00 9.35e-55 . . . . 11569 1 55 no PDB 4UMN . "Structure Of A Stapled Peptide Antagonist Bound To Nutlin- Resistant Mdm2" . . . . . 74.81 120 97.96 98.98 5.77e-63 . . . . 11569 1 56 no PDB 4WT2 . "Co-crystal Structure Of Mdm2 In Complex With Am-7209" . . . . . 74.81 105 98.98 100.00 2.10e-63 . . . . 11569 1 57 no PDB 4ZYC . "Discovery Of Dihydroisoquinolinone Derivatives As Novel Inhibitors Of The P53-mdm2 Interaction With A Distinct Binding Mode: Hd" . . . . . 66.41 96 97.70 98.85 1.23e-53 . . . . 11569 1 58 no PDB 4ZYF . "Discovery Of Nvp-cgm097 - A Highly Potent And Selective Mdm2 Inhibitor Undergoing Phase 1 Clinical Trials In P53wt Tumors: Hdm2" . . . . . 66.41 96 98.85 100.00 9.35e-55 . . . . 11569 1 59 no PDB 4ZYI . "Discovery Of Nvp-cgm097 - A Highly Potent And Selective Mdm2 Inhibitor Undergoing Phase 1 Clinical Trials In P53wt Tumors: Hdm2" . . . . . 66.41 96 98.85 100.00 9.35e-55 . . . . 11569 1 60 no DBJ BAF83030 . "unnamed protein product [Homo sapiens]" . . . . . 74.81 491 98.98 100.00 1.73e-60 . . . . 11569 1 61 no DBJ BAJ17752 . "Mdm2 p53 binding protein homolog [synthetic construct]" . . . . . 74.81 497 98.98 100.00 2.17e-60 . . . . 11569 1 62 no EMBL CAA78055 . "p53 associated [Homo sapiens]" . . . . . 74.81 491 98.98 100.00 1.73e-60 . . . . 11569 1 63 no EMBL CAD23251 . "MDM2 isoform KB9 [Homo sapiens]" . . . . . 75.57 243 97.98 98.99 1.34e-62 . . . . 11569 1 64 no EMBL CAD36959 . "p53-binding protein [Homo sapiens]" . . . . . 75.57 166 97.98 98.99 7.46e-63 . . . . 11569 1 65 no EMBL CAH89564 . "hypothetical protein [Pongo abelii]" . . . . . 74.81 497 98.98 100.00 2.41e-60 . . . . 11569 1 66 no EMBL CAP16708 . "MDM2 protein [Homo sapiens]" . . . . . 74.81 413 98.98 100.00 1.57e-61 . . . . 11569 1 67 no GB AAA60568 . "p53 associated [Homo sapiens]" . . . . . 74.81 491 98.98 100.00 1.73e-60 . . . . 11569 1 68 no GB AAI48523 . "Mdm2 p53 binding protein homolog (mouse), partial [synthetic construct]" . . . . . 74.81 497 98.98 100.00 2.17e-60 . . . . 11569 1 69 no GB AAI52385 . "MDM2 protein, partial [Homo sapiens]" . . . . . 74.81 490 98.98 100.00 1.40e-60 . . . . 11569 1 70 no GB AAI52391 . "MDM2 protein, partial [Homo sapiens]" . . . . . 74.81 490 98.98 100.00 1.40e-60 . . . . 11569 1 71 no GB AAI53118 . "Mdm2 p53 binding protein homolog (mouse) [synthetic construct]" . . . . . 74.81 497 98.98 100.00 2.17e-60 . . . . 11569 1 72 no PRF 1814460A . "p53-associated protein" . . . . . 74.81 491 98.98 100.00 1.73e-60 . . . . 11569 1 73 no REF NP_001124685 . "E3 ubiquitin-protein ligase Mdm2 [Pongo abelii]" . . . . . 74.81 497 98.98 100.00 2.41e-60 . . . . 11569 1 74 no REF NP_001138809 . "E3 ubiquitin-protein ligase Mdm2 isoform g [Homo sapiens]" . . . . . 74.81 444 98.98 100.00 4.18e-61 . . . . 11569 1 75 no REF NP_001138811 . "E3 ubiquitin-protein ligase Mdm2 isoform h [Homo sapiens]" . . . . . 74.81 442 98.98 100.00 7.18e-61 . . . . 11569 1 76 no REF NP_001253331 . "E3 ubiquitin-protein ligase Mdm2 [Macaca mulatta]" . . . . . 74.81 497 98.98 100.00 1.61e-60 . . . . 11569 1 77 no REF NP_002383 . "E3 ubiquitin-protein ligase Mdm2 isoform a [Homo sapiens]" . . . . . 74.81 497 98.98 100.00 2.17e-60 . . . . 11569 1 78 no SP Q00987 . "RecName: Full=E3 ubiquitin-protein ligase Mdm2; AltName: Full=Double minute 2 protein; Short=Hdm2; AltName: Full=Oncoprotein Md" . . . . . 74.81 491 98.98 100.00 1.73e-60 . . . . 11569 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 -11 MET . 11569 1 2 -10 PRO . 11569 1 3 -9 ARG . 11569 1 4 -8 PHE . 11569 1 5 -7 TRP . 11569 1 6 -6 GLU . 11569 1 7 -5 TYR . 11569 1 8 -4 TRP . 11569 1 9 -3 LEU . 11569 1 10 -2 ARG . 11569 1 11 -1 LEU . 11569 1 12 0 MET . 11569 1 13 1 GLU . 11569 1 14 2 GLY . 11569 1 15 3 GLY . 11569 1 16 4 GLY . 11569 1 17 5 GLU . 11569 1 18 6 ASN . 11569 1 19 7 LEU . 11569 1 20 8 TYR . 11569 1 21 9 PHE . 11569 1 22 10 GLN . 11569 1 23 11 GLY . 11569 1 24 12 MET . 11569 1 25 13 SER . 11569 1 26 14 VAL . 11569 1 27 15 PRO . 11569 1 28 16 THR . 11569 1 29 17 ASP . 11569 1 30 18 GLY . 11569 1 31 19 ALA . 11569 1 32 20 VAL . 11569 1 33 21 THR . 11569 1 34 22 THR . 11569 1 35 23 SER . 11569 1 36 24 GLN . 11569 1 37 25 ILE . 11569 1 38 26 PRO . 11569 1 39 27 ALA . 11569 1 40 28 SER . 11569 1 41 29 GLU . 11569 1 42 30 GLN . 11569 1 43 31 GLU . 11569 1 44 32 THR . 11569 1 45 33 LEU . 11569 1 46 34 VAL . 11569 1 47 35 ARG . 11569 1 48 36 PRO . 11569 1 49 37 LYS . 11569 1 50 38 PRO . 11569 1 51 39 LEU . 11569 1 52 40 LEU . 11569 1 53 41 LEU . 11569 1 54 42 LYS . 11569 1 55 43 LEU . 11569 1 56 44 LEU . 11569 1 57 45 LYS . 11569 1 58 46 SER . 11569 1 59 47 VAL . 11569 1 60 48 GLY . 11569 1 61 49 ALA . 11569 1 62 50 GLN . 11569 1 63 51 LYS . 11569 1 64 52 ASP . 11569 1 65 53 THR . 11569 1 66 54 TYR . 11569 1 67 55 THR . 11569 1 68 56 MET . 11569 1 69 57 LYS . 11569 1 70 58 GLU . 11569 1 71 59 VAL . 11569 1 72 60 LEU . 11569 1 73 61 PHE . 11569 1 74 62 TYR . 11569 1 75 63 LEU . 11569 1 76 64 GLY . 11569 1 77 65 GLN . 11569 1 78 66 TYR . 11569 1 79 67 ILE . 11569 1 80 68 MET . 11569 1 81 69 THR . 11569 1 82 70 LYS . 11569 1 83 71 ARG . 11569 1 84 72 LEU . 11569 1 85 73 TYR . 11569 1 86 74 ASP . 11569 1 87 75 GLU . 11569 1 88 76 LYS . 11569 1 89 77 GLN . 11569 1 90 78 GLN . 11569 1 91 79 HIS . 11569 1 92 80 ILE . 11569 1 93 81 VAL . 11569 1 94 82 TYR . 11569 1 95 83 CYS . 11569 1 96 84 SER . 11569 1 97 85 ASN . 11569 1 98 86 ASP . 11569 1 99 87 LEU . 11569 1 100 88 LEU . 11569 1 101 89 GLY . 11569 1 102 90 ASP . 11569 1 103 91 LEU . 11569 1 104 92 PHE . 11569 1 105 93 GLY . 11569 1 106 94 VAL . 11569 1 107 95 PRO . 11569 1 108 96 SER . 11569 1 109 97 PHE . 11569 1 110 98 SER . 11569 1 111 99 VAL . 11569 1 112 100 LYS . 11569 1 113 101 GLU . 11569 1 114 102 HIS . 11569 1 115 103 ARG . 11569 1 116 104 LYS . 11569 1 117 105 ILE . 11569 1 118 106 TYR . 11569 1 119 107 THR . 11569 1 120 108 MET . 11569 1 121 109 MET . 11569 1 122 110 ALA . 11569 1 123 111 SER . 11569 1 124 112 MET . 11569 1 125 113 THR . 11569 1 126 114 GLY . 11569 1 127 115 GLY . 11569 1 128 116 GLN . 11569 1 129 117 GLN . 11569 1 130 118 MET . 11569 1 131 119 GLY . 11569 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 11569 1 . PRO 2 2 11569 1 . ARG 3 3 11569 1 . PHE 4 4 11569 1 . TRP 5 5 11569 1 . GLU 6 6 11569 1 . TYR 7 7 11569 1 . TRP 8 8 11569 1 . LEU 9 9 11569 1 . ARG 10 10 11569 1 . LEU 11 11 11569 1 . MET 12 12 11569 1 . GLU 13 13 11569 1 . GLY 14 14 11569 1 . GLY 15 15 11569 1 . GLY 16 16 11569 1 . GLU 17 17 11569 1 . ASN 18 18 11569 1 . LEU 19 19 11569 1 . TYR 20 20 11569 1 . PHE 21 21 11569 1 . GLN 22 22 11569 1 . GLY 23 23 11569 1 . MET 24 24 11569 1 . SER 25 25 11569 1 . VAL 26 26 11569 1 . PRO 27 27 11569 1 . THR 28 28 11569 1 . ASP 29 29 11569 1 . GLY 30 30 11569 1 . ALA 31 31 11569 1 . VAL 32 32 11569 1 . THR 33 33 11569 1 . THR 34 34 11569 1 . SER 35 35 11569 1 . GLN 36 36 11569 1 . ILE 37 37 11569 1 . PRO 38 38 11569 1 . ALA 39 39 11569 1 . SER 40 40 11569 1 . GLU 41 41 11569 1 . GLN 42 42 11569 1 . GLU 43 43 11569 1 . THR 44 44 11569 1 . LEU 45 45 11569 1 . VAL 46 46 11569 1 . ARG 47 47 11569 1 . PRO 48 48 11569 1 . LYS 49 49 11569 1 . PRO 50 50 11569 1 . LEU 51 51 11569 1 . LEU 52 52 11569 1 . LEU 53 53 11569 1 . LYS 54 54 11569 1 . LEU 55 55 11569 1 . LEU 56 56 11569 1 . LYS 57 57 11569 1 . SER 58 58 11569 1 . VAL 59 59 11569 1 . GLY 60 60 11569 1 . ALA 61 61 11569 1 . GLN 62 62 11569 1 . LYS 63 63 11569 1 . ASP 64 64 11569 1 . THR 65 65 11569 1 . TYR 66 66 11569 1 . THR 67 67 11569 1 . MET 68 68 11569 1 . LYS 69 69 11569 1 . GLU 70 70 11569 1 . VAL 71 71 11569 1 . LEU 72 72 11569 1 . PHE 73 73 11569 1 . TYR 74 74 11569 1 . LEU 75 75 11569 1 . GLY 76 76 11569 1 . GLN 77 77 11569 1 . TYR 78 78 11569 1 . ILE 79 79 11569 1 . MET 80 80 11569 1 . THR 81 81 11569 1 . LYS 82 82 11569 1 . ARG 83 83 11569 1 . LEU 84 84 11569 1 . TYR 85 85 11569 1 . ASP 86 86 11569 1 . GLU 87 87 11569 1 . LYS 88 88 11569 1 . GLN 89 89 11569 1 . GLN 90 90 11569 1 . HIS 91 91 11569 1 . ILE 92 92 11569 1 . VAL 93 93 11569 1 . TYR 94 94 11569 1 . CYS 95 95 11569 1 . SER 96 96 11569 1 . ASN 97 97 11569 1 . ASP 98 98 11569 1 . LEU 99 99 11569 1 . LEU 100 100 11569 1 . GLY 101 101 11569 1 . ASP 102 102 11569 1 . LEU 103 103 11569 1 . PHE 104 104 11569 1 . GLY 105 105 11569 1 . VAL 106 106 11569 1 . PRO 107 107 11569 1 . SER 108 108 11569 1 . PHE 109 109 11569 1 . SER 110 110 11569 1 . VAL 111 111 11569 1 . LYS 112 112 11569 1 . GLU 113 113 11569 1 . HIS 114 114 11569 1 . ARG 115 115 11569 1 . LYS 116 116 11569 1 . ILE 117 117 11569 1 . TYR 118 118 11569 1 . THR 119 119 11569 1 . MET 120 120 11569 1 . MET 121 121 11569 1 . ALA 122 122 11569 1 . SER 123 123 11569 1 . MET 124 124 11569 1 . THR 125 125 11569 1 . GLY 126 126 11569 1 . GLY 127 127 11569 1 . GLN 128 128 11569 1 . GLN 129 129 11569 1 . MET 130 130 11569 1 . GLY 131 131 11569 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11569 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MIP-MDM2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 11569 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 11569 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MIP-MDM2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . pET15b . . 'Protein expresses as HAT-GB1-(Thrombin cleavage site)-MIP-(TEV cleavage site)-MDM2-T7tag fusion.' 11569 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11569 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'MIP-MDM2 fusion' '[U-100% 13C; U-100% 15N]' . . 1 $MIP-MDM2 . protein 300 . . uM . . . . 11569 1 2 TRIS 'natural abundance' . . . . . buffer 20 . . mM . . . . 11569 1 3 'sodium chloride' 'natural abundance' . . . . . salt 300 . . mM . . . . 11569 1 4 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 11569 1 5 D2O 'natural abundance' . . . . . solvent 5 . . % . . . . 11569 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 11569 _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' 160 . mM 11569 1 pH 7.6 . pH 11569 1 pressure 1 . atm 11569 1 temperature 298 . K 11569 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11569 _Software.ID 1 _Software.Name AMBER _Software.Version 12 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 11569 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11569 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11569 _Software.ID 2 _Software.Name CYANA _Software.Version 2.0.14 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11569 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11569 2 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11569 _Software.ID 3 _Software.Name Kujira _Software.Version 0.984 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Naohiro Kobayashi' . . 11569 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11569 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11569 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11569 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11569 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11569 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11569 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11569 5 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 11569 _Software.ID 6 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11569 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11569 6 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11569 _Software.ID 7 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11569 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11569 7 stop_ save_ save_CHIMERA _Software.Sf_category software _Software.Sf_framecode CHIMERA _Software.Entry_ID 11569 _Software.ID 8 _Software.Name CHIMERA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID UCSF . . 11569 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11569 8 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 11569 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 11569 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 11569 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 11569 _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 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11569 1 2 '2D 1H-13C HSQC' no 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11569 1 3 '3D CBCA(CO)NH' no 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11569 1 4 '3D C(CO)NH' no 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11569 1 5 '3D HNCO' no 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11569 1 6 '3D HNCA' no 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11569 1 7 '3D HNCACB' no 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11569 1 8 '3D HBHA(CO)NH' no 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11569 1 9 '3D HN(CO)CA' no 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11569 1 10 '3D H(CCO)NH' no 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11569 1 11 '3D HCCH-TOCSY' no 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11569 1 12 '3D 1H-15N NOESY' no 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11569 1 13 '3D 1H-13C NOESY' no 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11569 1 14 '3D HCCH-COSY' no 1 . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11569 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 11569 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11569 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11569 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11569 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 11569 _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' 1 $sample_1 isotropic 11569 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 11569 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 PHE HD1 H 1 7.127 0.030 . 1 . . . . 4 PHE HD1 . 11569 1 2 . 1 1 4 4 PHE HD2 H 1 7.127 0.030 . 1 . . . . 4 PHE HD2 . 11569 1 3 . 1 1 4 4 PHE HE1 H 1 6.431 0.030 . 1 . . . . 4 PHE HE1 . 11569 1 4 . 1 1 4 4 PHE HE2 H 1 6.431 0.030 . 1 . . . . 4 PHE HE2 . 11569 1 5 . 1 1 4 4 PHE CD1 C 13 130.640 0.300 . 1 . . . . 4 PHE CD1 . 11569 1 6 . 1 1 4 4 PHE CD2 C 13 130.640 0.300 . 1 . . . . 4 PHE CD2 . 11569 1 7 . 1 1 4 4 PHE CE1 C 13 130.493 0.300 . 1 . . . . 4 PHE CE1 . 11569 1 8 . 1 1 4 4 PHE CE2 C 13 130.493 0.300 . 1 . . . . 4 PHE CE2 . 11569 1 9 . 1 1 5 5 TRP H H 1 7.486 0.030 . 1 . . . . 5 TRP H . 11569 1 10 . 1 1 5 5 TRP HA H 1 4.123 0.030 . 1 . . . . 5 TRP HA . 11569 1 11 . 1 1 5 5 TRP HB2 H 1 3.119 0.030 . 2 . . . . 5 TRP HB2 . 11569 1 12 . 1 1 5 5 TRP HB3 H 1 3.564 0.030 . 2 . . . . 5 TRP HB3 . 11569 1 13 . 1 1 5 5 TRP HD1 H 1 7.215 0.030 . 1 . . . . 5 TRP HD1 . 11569 1 14 . 1 1 5 5 TRP HE1 H 1 10.284 0.030 . 1 . . . . 5 TRP HE1 . 11569 1 15 . 1 1 5 5 TRP HE3 H 1 7.488 0.030 . 1 . . . . 5 TRP HE3 . 11569 1 16 . 1 1 5 5 TRP HZ2 H 1 7.616 0.030 . 1 . . . . 5 TRP HZ2 . 11569 1 17 . 1 1 5 5 TRP HZ3 H 1 6.423 0.030 . 1 . . . . 5 TRP HZ3 . 11569 1 18 . 1 1 5 5 TRP HH2 H 1 6.902 0.030 . 1 . . . . 5 TRP HH2 . 11569 1 19 . 1 1 5 5 TRP C C 13 176.840 0.300 . 1 . . . . 5 TRP C . 11569 1 20 . 1 1 5 5 TRP CA C 13 59.016 0.300 . 1 . . . . 5 TRP CA . 11569 1 21 . 1 1 5 5 TRP CB C 13 30.083 0.300 . 1 . . . . 5 TRP CB . 11569 1 22 . 1 1 5 5 TRP CD1 C 13 127.404 0.300 . 1 . . . . 5 TRP CD1 . 11569 1 23 . 1 1 5 5 TRP CE3 C 13 121.093 0.300 . 1 . . . . 5 TRP CE3 . 11569 1 24 . 1 1 5 5 TRP CZ2 C 13 114.561 0.300 . 1 . . . . 5 TRP CZ2 . 11569 1 25 . 1 1 5 5 TRP CZ3 C 13 120.914 0.300 . 1 . . . . 5 TRP CZ3 . 11569 1 26 . 1 1 5 5 TRP CH2 C 13 122.578 0.300 . 1 . . . . 5 TRP CH2 . 11569 1 27 . 1 1 5 5 TRP NE1 N 15 128.684 0.300 . 1 . . . . 5 TRP NE1 . 11569 1 28 . 1 1 6 6 GLU H H 1 7.140 0.030 . 1 . . . . 6 GLU H . 11569 1 29 . 1 1 6 6 GLU HA H 1 3.796 0.030 . 1 . . . . 6 GLU HA . 11569 1 30 . 1 1 6 6 GLU HB2 H 1 1.838 0.030 . 2 . . . . 6 GLU HB2 . 11569 1 31 . 1 1 6 6 GLU HB3 H 1 2.088 0.030 . 2 . . . . 6 GLU HB3 . 11569 1 32 . 1 1 6 6 GLU HG2 H 1 2.089 0.030 . 2 . . . . 6 GLU HG2 . 11569 1 33 . 1 1 6 6 GLU HG3 H 1 2.201 0.030 . 2 . . . . 6 GLU HG3 . 11569 1 34 . 1 1 6 6 GLU C C 13 180.214 0.300 . 1 . . . . 6 GLU C . 11569 1 35 . 1 1 6 6 GLU CA C 13 59.571 0.300 . 1 . . . . 6 GLU CA . 11569 1 36 . 1 1 6 6 GLU CB C 13 29.046 0.300 . 1 . . . . 6 GLU CB . 11569 1 37 . 1 1 6 6 GLU CG C 13 36.639 0.300 . 1 . . . . 6 GLU CG . 11569 1 38 . 1 1 6 6 GLU N N 15 115.786 0.300 . 1 . . . . 6 GLU N . 11569 1 39 . 1 1 7 7 TYR H H 1 7.396 0.030 . 1 . . . . 7 TYR H . 11569 1 40 . 1 1 7 7 TYR HA H 1 4.063 0.030 . 1 . . . . 7 TYR HA . 11569 1 41 . 1 1 7 7 TYR HB2 H 1 2.811 0.030 . 2 . . . . 7 TYR HB2 . 11569 1 42 . 1 1 7 7 TYR HB3 H 1 2.925 0.030 . 2 . . . . 7 TYR HB3 . 11569 1 43 . 1 1 7 7 TYR HD1 H 1 6.970 0.030 . 1 . . . . 7 TYR HD1 . 11569 1 44 . 1 1 7 7 TYR HD2 H 1 6.970 0.030 . 1 . . . . 7 TYR HD2 . 11569 1 45 . 1 1 7 7 TYR HE1 H 1 6.682 0.030 . 1 . . . . 7 TYR HE1 . 11569 1 46 . 1 1 7 7 TYR HE2 H 1 6.682 0.030 . 1 . . . . 7 TYR HE2 . 11569 1 47 . 1 1 7 7 TYR C C 13 179.030 0.300 . 1 . . . . 7 TYR C . 11569 1 48 . 1 1 7 7 TYR CA C 13 61.710 0.300 . 1 . . . . 7 TYR CA . 11569 1 49 . 1 1 7 7 TYR CB C 13 37.303 0.300 . 1 . . . . 7 TYR CB . 11569 1 50 . 1 1 7 7 TYR CD1 C 13 132.500 0.300 . 1 . . . . 7 TYR CD1 . 11569 1 51 . 1 1 7 7 TYR CD2 C 13 132.500 0.300 . 1 . . . . 7 TYR CD2 . 11569 1 52 . 1 1 7 7 TYR CE1 C 13 118.792 0.300 . 1 . . . . 7 TYR CE1 . 11569 1 53 . 1 1 7 7 TYR CE2 C 13 118.792 0.300 . 1 . . . . 7 TYR CE2 . 11569 1 54 . 1 1 7 7 TYR N N 15 116.354 0.300 . 1 . . . . 7 TYR N . 11569 1 55 . 1 1 8 8 TRP H H 1 8.677 0.030 . 1 . . . . 8 TRP H . 11569 1 56 . 1 1 8 8 TRP HA H 1 3.515 0.030 . 1 . . . . 8 TRP HA . 11569 1 57 . 1 1 8 8 TRP HB2 H 1 2.192 0.030 . 1 . . . . 8 TRP HB2 . 11569 1 58 . 1 1 8 8 TRP HB3 H 1 2.192 0.030 . 1 . . . . 8 TRP HB3 . 11569 1 59 . 1 1 8 8 TRP HD1 H 1 6.222 0.030 . 1 . . . . 8 TRP HD1 . 11569 1 60 . 1 1 8 8 TRP HE1 H 1 9.688 0.030 . 1 . . . . 8 TRP HE1 . 11569 1 61 . 1 1 8 8 TRP HE3 H 1 7.357 0.030 . 1 . . . . 8 TRP HE3 . 11569 1 62 . 1 1 8 8 TRP HZ2 H 1 7.582 0.030 . 1 . . . . 8 TRP HZ2 . 11569 1 63 . 1 1 8 8 TRP HZ3 H 1 7.047 0.030 . 1 . . . . 8 TRP HZ3 . 11569 1 64 . 1 1 8 8 TRP HH2 H 1 6.915 0.030 . 1 . . . . 8 TRP HH2 . 11569 1 65 . 1 1 8 8 TRP C C 13 177.464 0.300 . 1 . . . . 8 TRP C . 11569 1 66 . 1 1 8 8 TRP CA C 13 60.325 0.300 . 1 . . . . 8 TRP CA . 11569 1 67 . 1 1 8 8 TRP CB C 13 28.660 0.300 . 1 . . . . 8 TRP CB . 11569 1 68 . 1 1 8 8 TRP CD1 C 13 126.336 0.300 . 1 . . . . 8 TRP CD1 . 11569 1 69 . 1 1 8 8 TRP CE3 C 13 121.766 0.300 . 1 . . . . 8 TRP CE3 . 11569 1 70 . 1 1 8 8 TRP CZ2 C 13 114.574 0.300 . 1 . . . . 8 TRP CZ2 . 11569 1 71 . 1 1 8 8 TRP CZ3 C 13 120.224 0.300 . 1 . . . . 8 TRP CZ3 . 11569 1 72 . 1 1 8 8 TRP CH2 C 13 122.761 0.300 . 1 . . . . 8 TRP CH2 . 11569 1 73 . 1 1 8 8 TRP N N 15 124.616 0.300 . 1 . . . . 8 TRP N . 11569 1 74 . 1 1 8 8 TRP NE1 N 15 127.568 0.300 . 1 . . . . 8 TRP NE1 . 11569 1 75 . 1 1 9 9 LEU H H 1 8.494 0.030 . 1 . . . . 9 LEU H . 11569 1 76 . 1 1 9 9 LEU HA H 1 3.598 0.030 . 1 . . . . 9 LEU HA . 11569 1 77 . 1 1 9 9 LEU HB2 H 1 1.583 0.030 . 2 . . . . 9 LEU HB2 . 11569 1 78 . 1 1 9 9 LEU HB3 H 1 1.214 0.030 . 2 . . . . 9 LEU HB3 . 11569 1 79 . 1 1 9 9 LEU HG H 1 0.951 0.030 . 1 . . . . 9 LEU HG . 11569 1 80 . 1 1 9 9 LEU HD11 H 1 0.773 0.030 . 2 . . . . 9 LEU HD11 . 11569 1 81 . 1 1 9 9 LEU HD12 H 1 0.773 0.030 . 2 . . . . 9 LEU HD12 . 11569 1 82 . 1 1 9 9 LEU HD13 H 1 0.773 0.030 . 2 . . . . 9 LEU HD13 . 11569 1 83 . 1 1 9 9 LEU HD21 H 1 0.813 0.030 . 2 . . . . 9 LEU HD21 . 11569 1 84 . 1 1 9 9 LEU HD22 H 1 0.813 0.030 . 2 . . . . 9 LEU HD22 . 11569 1 85 . 1 1 9 9 LEU HD23 H 1 0.813 0.030 . 2 . . . . 9 LEU HD23 . 11569 1 86 . 1 1 9 9 LEU C C 13 179.888 0.300 . 1 . . . . 9 LEU C . 11569 1 87 . 1 1 9 9 LEU CA C 13 57.909 0.300 . 1 . . . . 9 LEU CA . 11569 1 88 . 1 1 9 9 LEU CB C 13 41.893 0.300 . 1 . . . . 9 LEU CB . 11569 1 89 . 1 1 9 9 LEU CG C 13 26.120 0.300 . 1 . . . . 9 LEU CG . 11569 1 90 . 1 1 9 9 LEU CD1 C 13 23.006 0.300 . 2 . . . . 9 LEU CD1 . 11569 1 91 . 1 1 9 9 LEU CD2 C 13 25.741 0.300 . 2 . . . . 9 LEU CD2 . 11569 1 92 . 1 1 9 9 LEU N N 15 119.185 0.300 . 1 . . . . 9 LEU N . 11569 1 93 . 1 1 10 10 ARG H H 1 7.016 0.030 . 1 . . . . 10 ARG H . 11569 1 94 . 1 1 10 10 ARG HA H 1 3.957 0.030 . 1 . . . . 10 ARG HA . 11569 1 95 . 1 1 10 10 ARG HB2 H 1 1.948 0.030 . 1 . . . . 10 ARG HB2 . 11569 1 96 . 1 1 10 10 ARG HB3 H 1 1.948 0.030 . 1 . . . . 10 ARG HB3 . 11569 1 97 . 1 1 10 10 ARG HG2 H 1 1.757 0.030 . 1 . . . . 10 ARG HG2 . 11569 1 98 . 1 1 10 10 ARG HG3 H 1 1.757 0.030 . 1 . . . . 10 ARG HG3 . 11569 1 99 . 1 1 10 10 ARG HD2 H 1 3.179 0.030 . 1 . . . . 10 ARG HD2 . 11569 1 100 . 1 1 10 10 ARG HD3 H 1 3.179 0.030 . 1 . . . . 10 ARG HD3 . 11569 1 101 . 1 1 10 10 ARG C C 13 178.992 0.300 . 1 . . . . 10 ARG C . 11569 1 102 . 1 1 10 10 ARG CA C 13 58.748 0.300 . 1 . . . . 10 ARG CA . 11569 1 103 . 1 1 10 10 ARG CB C 13 29.748 0.300 . 1 . . . . 10 ARG CB . 11569 1 104 . 1 1 10 10 ARG CG C 13 27.300 0.300 . 1 . . . . 10 ARG CG . 11569 1 105 . 1 1 10 10 ARG CD C 13 43.254 0.300 . 1 . . . . 10 ARG CD . 11569 1 106 . 1 1 10 10 ARG N N 15 116.790 0.300 . 1 . . . . 10 ARG N . 11569 1 107 . 1 1 11 11 LEU H H 1 7.141 0.030 . 1 . . . . 11 LEU H . 11569 1 108 . 1 1 11 11 LEU HA H 1 2.811 0.030 . 1 . . . . 11 LEU HA . 11569 1 109 . 1 1 11 11 LEU HB2 H 1 1.435 0.030 . 2 . . . . 11 LEU HB2 . 11569 1 110 . 1 1 11 11 LEU HB3 H 1 0.994 0.030 . 2 . . . . 11 LEU HB3 . 11569 1 111 . 1 1 11 11 LEU HG H 1 0.741 0.030 . 1 . . . . 11 LEU HG . 11569 1 112 . 1 1 11 11 LEU HD11 H 1 0.457 0.030 . 2 . . . . 11 LEU HD11 . 11569 1 113 . 1 1 11 11 LEU HD12 H 1 0.457 0.030 . 2 . . . . 11 LEU HD12 . 11569 1 114 . 1 1 11 11 LEU HD13 H 1 0.457 0.030 . 2 . . . . 11 LEU HD13 . 11569 1 115 . 1 1 11 11 LEU HD21 H 1 -0.377 0.030 . 2 . . . . 11 LEU HD21 . 11569 1 116 . 1 1 11 11 LEU HD22 H 1 -0.377 0.030 . 2 . . . . 11 LEU HD22 . 11569 1 117 . 1 1 11 11 LEU HD23 H 1 -0.377 0.030 . 2 . . . . 11 LEU HD23 . 11569 1 118 . 1 1 11 11 LEU C C 13 179.663 0.300 . 1 . . . . 11 LEU C . 11569 1 119 . 1 1 11 11 LEU CA C 13 57.677 0.300 . 1 . . . . 11 LEU CA . 11569 1 120 . 1 1 11 11 LEU CB C 13 40.092 0.300 . 1 . . . . 11 LEU CB . 11569 1 121 . 1 1 11 11 LEU CG C 13 26.973 0.300 . 1 . . . . 11 LEU CG . 11569 1 122 . 1 1 11 11 LEU CD1 C 13 25.533 0.300 . 2 . . . . 11 LEU CD1 . 11569 1 123 . 1 1 11 11 LEU CD2 C 13 24.996 0.300 . 2 . . . . 11 LEU CD2 . 11569 1 124 . 1 1 11 11 LEU N N 15 121.754 0.300 . 1 . . . . 11 LEU N . 11569 1 125 . 1 1 12 12 MET H H 1 7.972 0.030 . 1 . . . A 12 MET H . 11569 1 126 . 1 1 12 12 MET HA H 1 3.645 0.030 . 1 . . . A 12 MET HA . 11569 1 127 . 1 1 12 12 MET HB2 H 1 2.065 0.030 . 1 . . . A 12 MET HB2 . 11569 1 128 . 1 1 12 12 MET HB3 H 1 2.065 0.030 . 1 . . . A 12 MET HB3 . 11569 1 129 . 1 1 12 12 MET HG2 H 1 2.060 0.030 . 2 . . . A 12 MET HG2 . 11569 1 130 . 1 1 12 12 MET HG3 H 1 2.282 0.030 . 2 . . . A 12 MET HG3 . 11569 1 131 . 1 1 12 12 MET HE1 H 1 2.214 0.030 . 1 . . . A 12 MET HE1 . 11569 1 132 . 1 1 12 12 MET HE2 H 1 2.214 0.030 . 1 . . . A 12 MET HE2 . 11569 1 133 . 1 1 12 12 MET HE3 H 1 2.214 0.030 . 1 . . . A 12 MET HE3 . 11569 1 134 . 1 1 12 12 MET C C 13 176.843 0.300 . 1 . . . A 12 MET C . 11569 1 135 . 1 1 12 12 MET CA C 13 59.520 0.300 . 1 . . . A 12 MET CA . 11569 1 136 . 1 1 12 12 MET CB C 13 33.400 0.300 . 1 . . . A 12 MET CB . 11569 1 137 . 1 1 12 12 MET CG C 13 31.911 0.300 . 1 . . . A 12 MET CG . 11569 1 138 . 1 1 12 12 MET CE C 13 16.737 0.300 . 1 . . . A 12 MET CE . 11569 1 139 . 1 1 12 12 MET N N 15 118.788 0.300 . 1 . . . A 12 MET N . 11569 1 140 . 1 1 13 13 GLU H H 1 7.780 0.030 . 1 . . . . 13 GLU H . 11569 1 141 . 1 1 13 13 GLU HA H 1 4.165 0.030 . 1 . . . . 13 GLU HA . 11569 1 142 . 1 1 13 13 GLU HB2 H 1 1.952 0.030 . 2 . . . . 13 GLU HB2 . 11569 1 143 . 1 1 13 13 GLU HB3 H 1 2.071 0.030 . 2 . . . . 13 GLU HB3 . 11569 1 144 . 1 1 13 13 GLU HG2 H 1 2.234 0.030 . 2 . . . . 13 GLU HG2 . 11569 1 145 . 1 1 13 13 GLU HG3 H 1 2.344 0.030 . 2 . . . . 13 GLU HG3 . 11569 1 146 . 1 1 13 13 GLU C C 13 177.856 0.300 . 1 . . . . 13 GLU C . 11569 1 147 . 1 1 13 13 GLU CA C 13 57.221 0.300 . 1 . . . . 13 GLU CA . 11569 1 148 . 1 1 13 13 GLU CB C 13 30.041 0.300 . 1 . . . . 13 GLU CB . 11569 1 149 . 1 1 13 13 GLU CG C 13 36.029 0.300 . 1 . . . . 13 GLU CG . 11569 1 150 . 1 1 13 13 GLU N N 15 116.941 0.300 . 1 . . . . 13 GLU N . 11569 1 151 . 1 1 14 14 GLY H H 1 7.560 0.030 . 1 . . . . 14 GLY H . 11569 1 152 . 1 1 14 14 GLY HA2 H 1 3.835 0.030 . 2 . . . . 14 GLY HA2 . 11569 1 153 . 1 1 14 14 GLY HA3 H 1 4.006 0.030 . 2 . . . . 14 GLY HA3 . 11569 1 154 . 1 1 14 14 GLY C C 13 174.833 0.300 . 1 . . . . 14 GLY C . 11569 1 155 . 1 1 14 14 GLY CA C 13 45.908 0.300 . 1 . . . . 14 GLY CA . 11569 1 156 . 1 1 14 14 GLY N N 15 106.959 0.300 . 1 . . . . 14 GLY N . 11569 1 157 . 1 1 15 15 GLY H H 1 7.970 0.030 . 1 . . . . 15 GLY H . 11569 1 158 . 1 1 15 15 GLY HA2 H 1 3.612 0.030 . 1 . . . . 15 GLY HA2 . 11569 1 159 . 1 1 15 15 GLY HA3 H 1 3.612 0.030 . 1 . . . . 15 GLY HA3 . 11569 1 160 . 1 1 15 15 GLY C C 13 174.409 0.300 . 1 . . . . 15 GLY C . 11569 1 161 . 1 1 15 15 GLY CA C 13 45.690 0.300 . 1 . . . . 15 GLY CA . 11569 1 162 . 1 1 15 15 GLY N N 15 107.670 0.300 . 1 . . . . 15 GLY N . 11569 1 163 . 1 1 16 16 GLY H H 1 8.167 0.030 . 1 . . . . 16 GLY H . 11569 1 164 . 1 1 16 16 GLY HA2 H 1 4.176 0.030 . 1 . . . . 16 GLY HA2 . 11569 1 165 . 1 1 16 16 GLY HA3 H 1 4.176 0.030 . 1 . . . . 16 GLY HA3 . 11569 1 166 . 1 1 16 16 GLY C C 13 174.306 0.300 . 1 . . . . 16 GLY C . 11569 1 167 . 1 1 16 16 GLY CA C 13 45.472 0.300 . 1 . . . . 16 GLY CA . 11569 1 168 . 1 1 16 16 GLY N N 15 108.654 0.300 . 1 . . . . 16 GLY N . 11569 1 169 . 1 1 17 17 GLU H H 1 8.246 0.030 . 1 . . . . 17 GLU H . 11569 1 170 . 1 1 17 17 GLU C C 13 176.291 0.300 . 1 . . . . 17 GLU C . 11569 1 171 . 1 1 17 17 GLU CA C 13 56.918 0.300 . 1 . . . . 17 GLU CA . 11569 1 172 . 1 1 17 17 GLU CB C 13 29.874 0.300 . 1 . . . . 17 GLU CB . 11569 1 173 . 1 1 17 17 GLU N N 15 120.220 0.300 . 1 . . . . 17 GLU N . 11569 1 174 . 1 1 18 18 ASN H H 1 8.261 0.030 . 1 . . . . 18 ASN H . 11569 1 175 . 1 1 18 18 ASN HA H 1 4.561 0.030 . 1 . . . . 18 ASN HA . 11569 1 176 . 1 1 18 18 ASN HB2 H 1 2.694 0.030 . 2 . . . . 18 ASN HB2 . 11569 1 177 . 1 1 18 18 ASN HB3 H 1 2.578 0.030 . 2 . . . . 18 ASN HB3 . 11569 1 178 . 1 1 18 18 ASN C C 13 175.021 0.300 . 1 . . . . 18 ASN C . 11569 1 179 . 1 1 18 18 ASN CA C 13 53.602 0.300 . 1 . . . . 18 ASN CA . 11569 1 180 . 1 1 18 18 ASN CB C 13 38.619 0.300 . 1 . . . . 18 ASN CB . 11569 1 181 . 1 1 18 18 ASN N N 15 117.896 0.300 . 1 . . . . 18 ASN N . 11569 1 182 . 1 1 19 19 LEU H H 1 7.907 0.030 . 1 . . . . 19 LEU H . 11569 1 183 . 1 1 19 19 LEU HA H 1 4.116 0.030 . 1 . . . . 19 LEU HA . 11569 1 184 . 1 1 19 19 LEU HB2 H 1 1.237 0.030 . 2 . . . . 19 LEU HB2 . 11569 1 185 . 1 1 19 19 LEU HB3 H 1 1.373 0.030 . 2 . . . . 19 LEU HB3 . 11569 1 186 . 1 1 19 19 LEU HG H 1 1.371 0.030 . 1 . . . . 19 LEU HG . 11569 1 187 . 1 1 19 19 LEU HD11 H 1 0.710 0.030 . 2 . . . . 19 LEU HD11 . 11569 1 188 . 1 1 19 19 LEU HD12 H 1 0.710 0.030 . 2 . . . . 19 LEU HD12 . 11569 1 189 . 1 1 19 19 LEU HD13 H 1 0.710 0.030 . 2 . . . . 19 LEU HD13 . 11569 1 190 . 1 1 19 19 LEU HD21 H 1 0.774 0.030 . 2 . . . . 19 LEU HD21 . 11569 1 191 . 1 1 19 19 LEU HD22 H 1 0.774 0.030 . 2 . . . . 19 LEU HD22 . 11569 1 192 . 1 1 19 19 LEU HD23 H 1 0.774 0.030 . 2 . . . . 19 LEU HD23 . 11569 1 193 . 1 1 19 19 LEU C C 13 176.889 0.300 . 1 . . . . 19 LEU C . 11569 1 194 . 1 1 19 19 LEU CA C 13 55.693 0.300 . 1 . . . . 19 LEU CA . 11569 1 195 . 1 1 19 19 LEU CB C 13 42.186 0.300 . 1 . . . . 19 LEU CB . 11569 1 196 . 1 1 19 19 LEU CG C 13 26.837 0.300 . 1 . . . . 19 LEU CG . 11569 1 197 . 1 1 19 19 LEU CD1 C 13 23.544 0.300 . 2 . . . . 19 LEU CD1 . 11569 1 198 . 1 1 19 19 LEU CD2 C 13 25.022 0.300 . 2 . . . . 19 LEU CD2 . 11569 1 199 . 1 1 19 19 LEU N N 15 121.211 0.300 . 1 . . . . 19 LEU N . 11569 1 200 . 1 1 20 20 TYR H H 1 7.898 0.030 . 1 . . . . 20 TYR H . 11569 1 201 . 1 1 20 20 TYR HA H 1 4.405 0.030 . 1 . . . . 20 TYR HA . 11569 1 202 . 1 1 20 20 TYR HB2 H 1 2.733 0.030 . 2 . . . . 20 TYR HB2 . 11569 1 203 . 1 1 20 20 TYR HB3 H 1 2.864 0.030 . 2 . . . . 20 TYR HB3 . 11569 1 204 . 1 1 20 20 TYR HD1 H 1 6.896 0.030 . 1 . . . . 20 TYR HD1 . 11569 1 205 . 1 1 20 20 TYR HD2 H 1 6.896 0.030 . 1 . . . . 20 TYR HD2 . 11569 1 206 . 1 1 20 20 TYR HE1 H 1 6.709 0.030 . 1 . . . . 20 TYR HE1 . 11569 1 207 . 1 1 20 20 TYR HE2 H 1 6.709 0.030 . 1 . . . . 20 TYR HE2 . 11569 1 208 . 1 1 20 20 TYR C C 13 175.411 0.300 . 1 . . . . 20 TYR C . 11569 1 209 . 1 1 20 20 TYR CA C 13 57.892 0.300 . 1 . . . . 20 TYR CA . 11569 1 210 . 1 1 20 20 TYR CB C 13 38.600 0.300 . 1 . . . . 20 TYR CB . 11569 1 211 . 1 1 20 20 TYR CD1 C 13 132.984 0.300 . 1 . . . . 20 TYR CD1 . 11569 1 212 . 1 1 20 20 TYR CD2 C 13 132.984 0.300 . 1 . . . . 20 TYR CD2 . 11569 1 213 . 1 1 20 20 TYR CE1 C 13 118.100 0.300 . 1 . . . . 20 TYR CE1 . 11569 1 214 . 1 1 20 20 TYR CE2 C 13 118.100 0.300 . 1 . . . . 20 TYR CE2 . 11569 1 215 . 1 1 20 20 TYR N N 15 118.571 0.300 . 1 . . . . 20 TYR N . 11569 1 216 . 1 1 21 21 PHE H H 1 7.927 0.030 . 1 . . . . 21 PHE H . 11569 1 217 . 1 1 21 21 PHE HA H 1 4.555 0.030 . 1 . . . . 21 PHE HA . 11569 1 218 . 1 1 21 21 PHE HB2 H 1 2.956 0.030 . 2 . . . . 21 PHE HB2 . 11569 1 219 . 1 1 21 21 PHE HB3 H 1 3.109 0.030 . 2 . . . . 21 PHE HB3 . 11569 1 220 . 1 1 21 21 PHE HD1 H 1 7.194 0.030 . 1 . . . . 21 PHE HD1 . 11569 1 221 . 1 1 21 21 PHE HD2 H 1 7.194 0.030 . 1 . . . . 21 PHE HD2 . 11569 1 222 . 1 1 21 21 PHE C C 13 175.478 0.300 . 1 . . . . 21 PHE C . 11569 1 223 . 1 1 21 21 PHE CA C 13 57.758 0.300 . 1 . . . . 21 PHE CA . 11569 1 224 . 1 1 21 21 PHE CB C 13 39.495 0.300 . 1 . . . . 21 PHE CB . 11569 1 225 . 1 1 21 21 PHE CD1 C 13 131.932 0.300 . 1 . . . . 21 PHE CD1 . 11569 1 226 . 1 1 21 21 PHE CD2 C 13 131.932 0.300 . 1 . . . . 21 PHE CD2 . 11569 1 227 . 1 1 21 21 PHE N N 15 120.112 0.300 . 1 . . . . 21 PHE N . 11569 1 228 . 1 1 22 22 GLN H H 1 8.239 0.030 . 1 . . . . 22 GLN H . 11569 1 229 . 1 1 22 22 GLN HA H 1 4.209 0.030 . 1 . . . . 22 GLN HA . 11569 1 230 . 1 1 22 22 GLN HB2 H 1 1.942 0.030 . 2 . . . . 22 GLN HB2 . 11569 1 231 . 1 1 22 22 GLN HB3 H 1 2.081 0.030 . 2 . . . . 22 GLN HB3 . 11569 1 232 . 1 1 22 22 GLN HG2 H 1 2.287 0.030 . 1 . . . . 22 GLN HG2 . 11569 1 233 . 1 1 22 22 GLN HG3 H 1 2.287 0.030 . 1 . . . . 22 GLN HG3 . 11569 1 234 . 1 1 22 22 GLN C C 13 176.190 0.300 . 1 . . . . 22 GLN C . 11569 1 235 . 1 1 22 22 GLN CA C 13 56.277 0.300 . 1 . . . . 22 GLN CA . 11569 1 236 . 1 1 22 22 GLN CB C 13 29.371 0.300 . 1 . . . . 22 GLN CB . 11569 1 237 . 1 1 22 22 GLN CG C 13 33.895 0.300 . 1 . . . . 22 GLN CG . 11569 1 238 . 1 1 22 22 GLN N N 15 121.442 0.300 . 1 . . . . 22 GLN N . 11569 1 239 . 1 1 23 23 GLY H H 1 8.080 0.030 . 1 . . . . 23 GLY H . 11569 1 240 . 1 1 23 23 GLY C C 13 173.987 0.300 . 1 . . . . 23 GLY C . 11569 1 241 . 1 1 23 23 GLY CA C 13 45.321 0.300 . 1 . . . . 23 GLY CA . 11569 1 242 . 1 1 23 23 GLY N N 15 109.434 0.300 . 1 . . . . 23 GLY N . 11569 1 243 . 1 1 24 24 MET HA H 1 4.779 0.030 . 1 . . . . 24 MET HA . 11569 1 244 . 1 1 24 24 MET C C 13 175.880 0.300 . 1 . . . . 24 MET C . 11569 1 245 . 1 1 24 24 MET CA C 13 56.029 0.300 . 1 . . . . 24 MET CA . 11569 1 246 . 1 1 24 24 MET CB C 13 33.266 0.300 . 1 . . . . 24 MET CB . 11569 1 247 . 1 1 24 24 MET CG C 13 32.157 0.300 . 1 . . . . 24 MET CG . 11569 1 248 . 1 1 25 25 SER H H 1 7.981 0.030 . 1 . . . . 25 SER H . 11569 1 249 . 1 1 25 25 SER HA H 1 4.464 0.030 . 1 . . . . 25 SER HA . 11569 1 250 . 1 1 25 25 SER HB2 H 1 3.820 0.030 . 1 . . . . 25 SER HB2 . 11569 1 251 . 1 1 25 25 SER HB3 H 1 3.820 0.030 . 1 . . . . 25 SER HB3 . 11569 1 252 . 1 1 25 25 SER C C 13 173.940 0.300 . 1 . . . . 25 SER C . 11569 1 253 . 1 1 25 25 SER CA C 13 58.398 0.300 . 1 . . . . 25 SER CA . 11569 1 254 . 1 1 25 25 SER CB C 13 63.764 0.300 . 1 . . . . 25 SER CB . 11569 1 255 . 1 1 25 25 SER N N 15 122.451 0.300 . 1 . . . . 25 SER N . 11569 1 256 . 1 1 26 26 VAL H H 1 8.139 0.030 . 1 . . . . 26 VAL H . 11569 1 257 . 1 1 26 26 VAL HA H 1 4.402 0.030 . 1 . . . . 26 VAL HA . 11569 1 258 . 1 1 26 26 VAL HB H 1 2.054 0.030 . 1 . . . . 26 VAL HB . 11569 1 259 . 1 1 26 26 VAL HG11 H 1 0.896 0.030 . 2 . . . . 26 VAL HG11 . 11569 1 260 . 1 1 26 26 VAL HG12 H 1 0.896 0.030 . 2 . . . . 26 VAL HG12 . 11569 1 261 . 1 1 26 26 VAL HG13 H 1 0.896 0.030 . 2 . . . . 26 VAL HG13 . 11569 1 262 . 1 1 26 26 VAL HG21 H 1 0.938 0.030 . 2 . . . . 26 VAL HG21 . 11569 1 263 . 1 1 26 26 VAL HG22 H 1 0.938 0.030 . 2 . . . . 26 VAL HG22 . 11569 1 264 . 1 1 26 26 VAL HG23 H 1 0.938 0.030 . 2 . . . . 26 VAL HG23 . 11569 1 265 . 1 1 26 26 VAL C C 13 174.470 0.300 . 1 . . . . 26 VAL C . 11569 1 266 . 1 1 26 26 VAL CA C 13 59.822 0.300 . 1 . . . . 26 VAL CA . 11569 1 267 . 1 1 26 26 VAL CB C 13 32.864 0.300 . 1 . . . . 26 VAL CB . 11569 1 268 . 1 1 26 26 VAL CG1 C 13 20.338 0.300 . 2 . . . . 26 VAL CG1 . 11569 1 269 . 1 1 26 26 VAL CG2 C 13 21.122 0.300 . 2 . . . . 26 VAL CG2 . 11569 1 270 . 1 1 26 26 VAL N N 15 122.927 0.300 . 1 . . . . 26 VAL N . 11569 1 271 . 1 1 27 27 PRO HA H 1 4.464 0.030 . 1 . . . . 27 PRO HA . 11569 1 272 . 1 1 27 27 PRO HB2 H 1 1.942 0.030 . 2 . . . . 27 PRO HB2 . 11569 1 273 . 1 1 27 27 PRO HB3 H 1 2.282 0.030 . 2 . . . . 27 PRO HB3 . 11569 1 274 . 1 1 27 27 PRO HG2 H 1 1.973 0.030 . 1 . . . . 27 PRO HG2 . 11569 1 275 . 1 1 27 27 PRO HG3 H 1 1.973 0.030 . 1 . . . . 27 PRO HG3 . 11569 1 276 . 1 1 27 27 PRO HD2 H 1 3.860 0.030 . 2 . . . . 27 PRO HD2 . 11569 1 277 . 1 1 27 27 PRO HD3 H 1 3.631 0.030 . 2 . . . . 27 PRO HD3 . 11569 1 278 . 1 1 27 27 PRO C C 13 177.221 0.300 . 1 . . . . 27 PRO C . 11569 1 279 . 1 1 27 27 PRO CA C 13 63.380 0.300 . 1 . . . . 27 PRO CA . 11569 1 280 . 1 1 27 27 PRO CB C 13 32.167 0.300 . 1 . . . . 27 PRO CB . 11569 1 281 . 1 1 27 27 PRO CG C 13 27.381 0.300 . 1 . . . . 27 PRO CG . 11569 1 282 . 1 1 27 27 PRO CD C 13 51.119 0.300 . 1 . . . . 27 PRO CD . 11569 1 283 . 1 1 28 28 THR H H 1 8.248 0.030 . 1 . . . . 28 THR H . 11569 1 284 . 1 1 28 28 THR HA H 1 4.447 0.030 . 1 . . . . 28 THR HA . 11569 1 285 . 1 1 28 28 THR HB H 1 4.793 0.030 . 1 . . . . 28 THR HB . 11569 1 286 . 1 1 28 28 THR HG21 H 1 1.195 0.030 . 1 . . . . 28 THR HG21 . 11569 1 287 . 1 1 28 28 THR HG22 H 1 1.195 0.030 . 1 . . . . 28 THR HG22 . 11569 1 288 . 1 1 28 28 THR HG23 H 1 1.195 0.030 . 1 . . . . 28 THR HG23 . 11569 1 289 . 1 1 28 28 THR C C 13 174.504 0.300 . 1 . . . . 28 THR C . 11569 1 290 . 1 1 28 28 THR CA C 13 61.730 0.300 . 1 . . . . 28 THR CA . 11569 1 291 . 1 1 28 28 THR CB C 13 69.784 0.300 . 1 . . . . 28 THR CB . 11569 1 292 . 1 1 28 28 THR CG2 C 13 21.614 0.300 . 1 . . . . 28 THR CG2 . 11569 1 293 . 1 1 28 28 THR N N 15 114.156 0.300 . 1 . . . . 28 THR N . 11569 1 294 . 1 1 29 29 ASP H H 1 8.324 0.030 . 1 . . . . 29 ASP H . 11569 1 295 . 1 1 29 29 ASP C C 13 176.680 0.300 . 1 . . . . 29 ASP C . 11569 1 296 . 1 1 29 29 ASP CA C 13 54.468 0.300 . 1 . . . . 29 ASP CA . 11569 1 297 . 1 1 29 29 ASP CB C 13 41.181 0.300 . 1 . . . . 29 ASP CB . 11569 1 298 . 1 1 29 29 ASP N N 15 122.517 0.300 . 1 . . . . 29 ASP N . 11569 1 299 . 1 1 30 30 GLY H H 1 8.328 0.030 . 1 . . . . 30 GLY H . 11569 1 300 . 1 1 30 30 GLY C C 13 173.849 0.300 . 1 . . . . 30 GLY C . 11569 1 301 . 1 1 30 30 GLY CA C 13 45.388 0.300 . 1 . . . . 30 GLY CA . 11569 1 302 . 1 1 30 30 GLY N N 15 109.585 0.300 . 1 . . . . 30 GLY N . 11569 1 303 . 1 1 31 31 ALA H H 1 8.080 0.030 . 1 . . . . 31 ALA H . 11569 1 304 . 1 1 31 31 ALA HA H 1 4.333 0.030 . 1 . . . . 31 ALA HA . 11569 1 305 . 1 1 31 31 ALA HB1 H 1 1.368 0.030 . 1 . . . . 31 ALA HB1 . 11569 1 306 . 1 1 31 31 ALA HB2 H 1 1.368 0.030 . 1 . . . . 31 ALA HB2 . 11569 1 307 . 1 1 31 31 ALA HB3 H 1 1.368 0.030 . 1 . . . . 31 ALA HB3 . 11569 1 308 . 1 1 31 31 ALA C C 13 177.760 0.300 . 1 . . . . 31 ALA C . 11569 1 309 . 1 1 31 31 ALA CA C 13 52.497 0.300 . 1 . . . . 31 ALA CA . 11569 1 310 . 1 1 31 31 ALA CB C 13 19.384 0.300 . 1 . . . . 31 ALA CB . 11569 1 311 . 1 1 31 31 ALA N N 15 123.520 0.300 . 1 . . . . 31 ALA N . 11569 1 312 . 1 1 32 32 VAL H H 1 8.134 0.030 . 1 . . . . 32 VAL H . 11569 1 313 . 1 1 32 32 VAL HA H 1 4.179 0.030 . 1 . . . . 32 VAL HA . 11569 1 314 . 1 1 32 32 VAL HB H 1 2.087 0.030 . 1 . . . . 32 VAL HB . 11569 1 315 . 1 1 32 32 VAL HG11 H 1 0.933 0.030 . 1 . . . . 32 VAL HG11 . 11569 1 316 . 1 1 32 32 VAL HG12 H 1 0.933 0.030 . 1 . . . . 32 VAL HG12 . 11569 1 317 . 1 1 32 32 VAL HG13 H 1 0.933 0.030 . 1 . . . . 32 VAL HG13 . 11569 1 318 . 1 1 32 32 VAL HG21 H 1 0.933 0.030 . 1 . . . . 32 VAL HG21 . 11569 1 319 . 1 1 32 32 VAL HG22 H 1 0.933 0.030 . 1 . . . . 32 VAL HG22 . 11569 1 320 . 1 1 32 32 VAL HG23 H 1 0.933 0.030 . 1 . . . . 32 VAL HG23 . 11569 1 321 . 1 1 32 32 VAL C C 13 176.524 0.300 . 1 . . . . 32 VAL C . 11569 1 322 . 1 1 32 32 VAL CA C 13 62.272 0.300 . 1 . . . . 32 VAL CA . 11569 1 323 . 1 1 32 32 VAL CB C 13 32.847 0.300 . 1 . . . . 32 VAL CB . 11569 1 324 . 1 1 32 32 VAL CG1 C 13 20.581 0.300 . 1 . . . . 32 VAL CG1 . 11569 1 325 . 1 1 32 32 VAL CG2 C 13 20.581 0.300 . 1 . . . . 32 VAL CG2 . 11569 1 326 . 1 1 32 32 VAL N N 15 119.196 0.300 . 1 . . . . 32 VAL N . 11569 1 327 . 1 1 34 34 THR C C 13 173.776 0.300 . 1 . . . . 34 THR C . 11569 1 328 . 1 1 34 34 THR CA C 13 61.534 0.300 . 1 . . . . 34 THR CA . 11569 1 329 . 1 1 34 34 THR CB C 13 69.951 0.300 . 1 . . . . 34 THR CB . 11569 1 330 . 1 1 35 35 SER H H 1 8.020 0.030 . 1 . . . . 35 SER H . 11569 1 331 . 1 1 35 35 SER CA C 13 59.990 0.300 . 1 . . . . 35 SER CA . 11569 1 332 . 1 1 35 35 SER CB C 13 64.842 0.300 . 1 . . . . 35 SER CB . 11569 1 333 . 1 1 35 35 SER N N 15 123.584 0.300 . 1 . . . . 35 SER N . 11569 1 334 . 1 1 36 36 GLN HA H 1 4.335 0.030 . 1 . . . . 36 GLN HA . 11569 1 335 . 1 1 36 36 GLN HB2 H 1 1.991 0.030 . 2 . . . . 36 GLN HB2 . 11569 1 336 . 1 1 36 36 GLN HB3 H 1 2.093 0.030 . 2 . . . . 36 GLN HB3 . 11569 1 337 . 1 1 36 36 GLN HG2 H 1 2.353 0.030 . 1 . . . . 36 GLN HG2 . 11569 1 338 . 1 1 36 36 GLN HG3 H 1 2.353 0.030 . 1 . . . . 36 GLN HG3 . 11569 1 339 . 1 1 36 36 GLN HE21 H 1 6.856 0.030 . 2 . . . . 36 GLN HE21 . 11569 1 340 . 1 1 36 36 GLN HE22 H 1 7.486 0.030 . 2 . . . . 36 GLN HE22 . 11569 1 341 . 1 1 36 36 GLN C C 13 175.519 0.300 . 1 . . . . 36 GLN C . 11569 1 342 . 1 1 36 36 GLN CA C 13 55.727 0.300 . 1 . . . . 36 GLN CA . 11569 1 343 . 1 1 36 36 GLN CB C 13 29.413 0.300 . 1 . . . . 36 GLN CB . 11569 1 344 . 1 1 36 36 GLN CG C 13 33.874 0.300 . 1 . . . . 36 GLN CG . 11569 1 345 . 1 1 36 36 GLN NE2 N 15 112.643 0.300 . 1 . . . . 36 GLN NE2 . 11569 1 346 . 1 1 37 37 ILE H H 1 8.159 0.030 . 1 . . . . 37 ILE H . 11569 1 347 . 1 1 37 37 ILE HA H 1 4.377 0.030 . 1 . . . . 37 ILE HA . 11569 1 348 . 1 1 37 37 ILE HB H 1 1.809 0.030 . 1 . . . . 37 ILE HB . 11569 1 349 . 1 1 37 37 ILE HG12 H 1 1.126 0.030 . 2 . . . . 37 ILE HG12 . 11569 1 350 . 1 1 37 37 ILE HG13 H 1 1.444 0.030 . 2 . . . . 37 ILE HG13 . 11569 1 351 . 1 1 37 37 ILE HG21 H 1 0.883 0.030 . 1 . . . . 37 ILE HG21 . 11569 1 352 . 1 1 37 37 ILE HG22 H 1 0.883 0.030 . 1 . . . . 37 ILE HG22 . 11569 1 353 . 1 1 37 37 ILE HG23 H 1 0.883 0.030 . 1 . . . . 37 ILE HG23 . 11569 1 354 . 1 1 37 37 ILE HD11 H 1 0.798 0.030 . 1 . . . . 37 ILE HD11 . 11569 1 355 . 1 1 37 37 ILE HD12 H 1 0.798 0.030 . 1 . . . . 37 ILE HD12 . 11569 1 356 . 1 1 37 37 ILE HD13 H 1 0.798 0.030 . 1 . . . . 37 ILE HD13 . 11569 1 357 . 1 1 37 37 ILE C C 13 174.403 0.300 . 1 . . . . 37 ILE C . 11569 1 358 . 1 1 37 37 ILE CA C 13 58.681 0.300 . 1 . . . . 37 ILE CA . 11569 1 359 . 1 1 37 37 ILE CB C 13 38.508 0.300 . 1 . . . . 37 ILE CB . 11569 1 360 . 1 1 37 37 ILE CG1 C 13 26.952 0.300 . 1 . . . . 37 ILE CG1 . 11569 1 361 . 1 1 37 37 ILE CG2 C 13 17.014 0.300 . 1 . . . . 37 ILE CG2 . 11569 1 362 . 1 1 37 37 ILE CD1 C 13 12.638 0.300 . 1 . . . . 37 ILE CD1 . 11569 1 363 . 1 1 37 37 ILE N N 15 123.701 0.300 . 1 . . . . 37 ILE N . 11569 1 364 . 1 1 38 38 PRO HA H 1 4.380 0.030 . 1 . . . A 38 PRO HA . 11569 1 365 . 1 1 38 38 PRO HB2 H 1 2.282 0.030 . 2 . . . A 38 PRO HB2 . 11569 1 366 . 1 1 38 38 PRO HB3 H 1 1.908 0.030 . 2 . . . A 38 PRO HB3 . 11569 1 367 . 1 1 38 38 PRO HG2 H 1 1.947 0.030 . 2 . . . A 38 PRO HG2 . 11569 1 368 . 1 1 38 38 PRO HG3 H 1 2.016 0.030 . 2 . . . A 38 PRO HG3 . 11569 1 369 . 1 1 38 38 PRO HD2 H 1 3.634 0.030 . 2 . . . A 38 PRO HD2 . 11569 1 370 . 1 1 38 38 PRO HD3 H 1 3.836 0.030 . 2 . . . A 38 PRO HD3 . 11569 1 371 . 1 1 38 38 PRO C C 13 176.722 0.300 . 1 . . . A 38 PRO C . 11569 1 372 . 1 1 38 38 PRO CA C 13 63.212 0.300 . 1 . . . A 38 PRO CA . 11569 1 373 . 1 1 38 38 PRO CB C 13 32.177 0.300 . 1 . . . A 38 PRO CB . 11569 1 374 . 1 1 38 38 PRO CG C 13 27.499 0.300 . 1 . . . A 38 PRO CG . 11569 1 375 . 1 1 38 38 PRO CD C 13 51.036 0.300 . 1 . . . A 38 PRO CD . 11569 1 376 . 1 1 39 39 ALA H H 1 8.471 0.030 . 1 . . . . 39 ALA H . 11569 1 377 . 1 1 39 39 ALA HA H 1 4.239 0.030 . 1 . . . . 39 ALA HA . 11569 1 378 . 1 1 39 39 ALA HB1 H 1 1.393 0.030 . 1 . . . . 39 ALA HB1 . 11569 1 379 . 1 1 39 39 ALA HB2 H 1 1.393 0.030 . 1 . . . . 39 ALA HB2 . 11569 1 380 . 1 1 39 39 ALA HB3 H 1 1.393 0.030 . 1 . . . . 39 ALA HB3 . 11569 1 381 . 1 1 39 39 ALA C C 13 178.194 0.300 . 1 . . . . 39 ALA C . 11569 1 382 . 1 1 39 39 ALA CA C 13 53.058 0.300 . 1 . . . . 39 ALA CA . 11569 1 383 . 1 1 39 39 ALA CB C 13 19.111 0.300 . 1 . . . . 39 ALA CB . 11569 1 384 . 1 1 39 39 ALA N N 15 124.911 0.300 . 1 . . . . 39 ALA N . 11569 1 385 . 1 1 40 40 SER H H 1 8.287 0.030 . 1 . . . . 40 SER H . 11569 1 386 . 1 1 40 40 SER C C 13 175.017 0.300 . 1 . . . . 40 SER C . 11569 1 387 . 1 1 40 40 SER CA C 13 58.680 0.300 . 1 . . . . 40 SER CA . 11569 1 388 . 1 1 40 40 SER CB C 13 63.712 0.300 . 1 . . . . 40 SER CB . 11569 1 389 . 1 1 40 40 SER N N 15 114.182 0.300 . 1 . . . . 40 SER N . 11569 1 390 . 1 1 41 41 GLU H H 1 8.379 0.030 . 1 . . . . 41 GLU H . 11569 1 391 . 1 1 41 41 GLU HA H 1 4.306 0.030 . 1 . . . . 41 GLU HA . 11569 1 392 . 1 1 41 41 GLU HB2 H 1 1.917 0.030 . 2 . . . . 41 GLU HB2 . 11569 1 393 . 1 1 41 41 GLU HB3 H 1 2.098 0.030 . 2 . . . . 41 GLU HB3 . 11569 1 394 . 1 1 41 41 GLU HG2 H 1 2.240 0.030 . 1 . . . . 41 GLU HG2 . 11569 1 395 . 1 1 41 41 GLU HG3 H 1 2.240 0.030 . 1 . . . . 41 GLU HG3 . 11569 1 396 . 1 1 41 41 GLU C C 13 176.681 0.300 . 1 . . . . 41 GLU C . 11569 1 397 . 1 1 41 41 GLU CA C 13 56.919 0.300 . 1 . . . . 41 GLU CA . 11569 1 398 . 1 1 41 41 GLU CB C 13 30.083 0.300 . 1 . . . . 41 GLU CB . 11569 1 399 . 1 1 41 41 GLU CG C 13 36.354 0.300 . 1 . . . . 41 GLU CG . 11569 1 400 . 1 1 41 41 GLU N N 15 122.435 0.300 . 1 . . . . 41 GLU N . 11569 1 401 . 1 1 42 42 GLN H H 1 8.207 0.030 . 1 . . . . 42 GLN H . 11569 1 402 . 1 1 42 42 GLN HA H 1 4.287 0.030 . 1 . . . . 42 GLN HA . 11569 1 403 . 1 1 42 42 GLN HB2 H 1 2.002 0.030 . 2 . . . . 42 GLN HB2 . 11569 1 404 . 1 1 42 42 GLN HB3 H 1 2.113 0.030 . 2 . . . . 42 GLN HB3 . 11569 1 405 . 1 1 42 42 GLN HG2 H 1 2.349 0.030 . 1 . . . . 42 GLN HG2 . 11569 1 406 . 1 1 42 42 GLN HG3 H 1 2.349 0.030 . 1 . . . . 42 GLN HG3 . 11569 1 407 . 1 1 42 42 GLN C C 13 176.025 0.300 . 1 . . . . 42 GLN C . 11569 1 408 . 1 1 42 42 GLN CA C 13 56.415 0.300 . 1 . . . . 42 GLN CA . 11569 1 409 . 1 1 42 42 GLN CB C 13 29.623 0.300 . 1 . . . . 42 GLN CB . 11569 1 410 . 1 1 42 42 GLN CG C 13 33.879 0.300 . 1 . . . . 42 GLN CG . 11569 1 411 . 1 1 42 42 GLN N N 15 120.110 0.300 . 1 . . . . 42 GLN N . 11569 1 412 . 1 1 43 43 GLU H H 1 8.313 0.030 . 1 . . . . 43 GLU H . 11569 1 413 . 1 1 43 43 GLU HA H 1 4.391 0.030 . 1 . . . . 43 GLU HA . 11569 1 414 . 1 1 43 43 GLU HB2 H 1 1.951 0.030 . 2 . . . . 43 GLU HB2 . 11569 1 415 . 1 1 43 43 GLU HB3 H 1 2.110 0.030 . 2 . . . . 43 GLU HB3 . 11569 1 416 . 1 1 43 43 GLU HG2 H 1 2.236 0.030 . 1 . . . . 43 GLU HG2 . 11569 1 417 . 1 1 43 43 GLU HG3 H 1 2.236 0.030 . 1 . . . . 43 GLU HG3 . 11569 1 418 . 1 1 43 43 GLU C C 13 176.205 0.300 . 1 . . . . 43 GLU C . 11569 1 419 . 1 1 43 43 GLU CA C 13 56.432 0.300 . 1 . . . . 43 GLU CA . 11569 1 420 . 1 1 43 43 GLU CB C 13 30.670 0.300 . 1 . . . . 43 GLU CB . 11569 1 421 . 1 1 43 43 GLU CG C 13 36.458 0.300 . 1 . . . . 43 GLU CG . 11569 1 422 . 1 1 43 43 GLU N N 15 121.425 0.300 . 1 . . . . 43 GLU N . 11569 1 423 . 1 1 44 44 THR H H 1 8.165 0.030 . 1 . . . . 44 THR H . 11569 1 424 . 1 1 44 44 THR HA H 1 4.204 0.030 . 1 . . . . 44 THR HA . 11569 1 425 . 1 1 44 44 THR HB H 1 4.111 0.030 . 1 . . . . 44 THR HB . 11569 1 426 . 1 1 44 44 THR HG21 H 1 1.207 0.030 . 1 . . . . 44 THR HG21 . 11569 1 427 . 1 1 44 44 THR HG22 H 1 1.207 0.030 . 1 . . . . 44 THR HG22 . 11569 1 428 . 1 1 44 44 THR HG23 H 1 1.207 0.030 . 1 . . . . 44 THR HG23 . 11569 1 429 . 1 1 44 44 THR C C 13 173.757 0.300 . 1 . . . . 44 THR C . 11569 1 430 . 1 1 44 44 THR CA C 13 62.825 0.300 . 1 . . . . 44 THR CA . 11569 1 431 . 1 1 44 44 THR CB C 13 69.909 0.300 . 1 . . . . 44 THR CB . 11569 1 432 . 1 1 44 44 THR CG2 C 13 21.886 0.300 . 1 . . . . 44 THR CG2 . 11569 1 433 . 1 1 44 44 THR N N 15 117.683 0.300 . 1 . . . . 44 THR N . 11569 1 434 . 1 1 45 45 LEU H H 1 8.331 0.030 . 1 . . . . 45 LEU H . 11569 1 435 . 1 1 45 45 LEU HA H 1 4.640 0.030 . 1 . . . . 45 LEU HA . 11569 1 436 . 1 1 45 45 LEU HB2 H 1 1.700 0.030 . 2 . . . . 45 LEU HB2 . 11569 1 437 . 1 1 45 45 LEU HB3 H 1 1.282 0.030 . 2 . . . . 45 LEU HB3 . 11569 1 438 . 1 1 45 45 LEU HG H 1 1.639 0.030 . 1 . . . . 45 LEU HG . 11569 1 439 . 1 1 45 45 LEU HD11 H 1 0.743 0.030 . 2 . . . . 45 LEU HD11 . 11569 1 440 . 1 1 45 45 LEU HD12 H 1 0.743 0.030 . 2 . . . . 45 LEU HD12 . 11569 1 441 . 1 1 45 45 LEU HD13 H 1 0.743 0.030 . 2 . . . . 45 LEU HD13 . 11569 1 442 . 1 1 45 45 LEU HD21 H 1 0.850 0.030 . 2 . . . . 45 LEU HD21 . 11569 1 443 . 1 1 45 45 LEU HD22 H 1 0.850 0.030 . 2 . . . . 45 LEU HD22 . 11569 1 444 . 1 1 45 45 LEU HD23 H 1 0.850 0.030 . 2 . . . . 45 LEU HD23 . 11569 1 445 . 1 1 45 45 LEU C C 13 177.019 0.300 . 1 . . . . 45 LEU C . 11569 1 446 . 1 1 45 45 LEU CA C 13 54.334 0.300 . 1 . . . . 45 LEU CA . 11569 1 447 . 1 1 45 45 LEU CB C 13 43.108 0.300 . 1 . . . . 45 LEU CB . 11569 1 448 . 1 1 45 45 LEU CG C 13 27.018 0.300 . 1 . . . . 45 LEU CG . 11569 1 449 . 1 1 45 45 LEU CD1 C 13 23.448 0.300 . 2 . . . . 45 LEU CD1 . 11569 1 450 . 1 1 45 45 LEU CD2 C 13 25.350 0.300 . 2 . . . . 45 LEU CD2 . 11569 1 451 . 1 1 45 45 LEU N N 15 125.802 0.300 . 1 . . . . 45 LEU N . 11569 1 452 . 1 1 46 46 VAL H H 1 9.539 0.030 . 1 . . . . 46 VAL H . 11569 1 453 . 1 1 46 46 VAL HA H 1 4.676 0.030 . 1 . . . . 46 VAL HA . 11569 1 454 . 1 1 46 46 VAL HB H 1 2.138 0.030 . 1 . . . . 46 VAL HB . 11569 1 455 . 1 1 46 46 VAL HG11 H 1 0.836 0.030 . 2 . . . . 46 VAL HG11 . 11569 1 456 . 1 1 46 46 VAL HG12 H 1 0.836 0.030 . 2 . . . . 46 VAL HG12 . 11569 1 457 . 1 1 46 46 VAL HG13 H 1 0.836 0.030 . 2 . . . . 46 VAL HG13 . 11569 1 458 . 1 1 46 46 VAL HG21 H 1 0.886 0.030 . 2 . . . . 46 VAL HG21 . 11569 1 459 . 1 1 46 46 VAL HG22 H 1 0.886 0.030 . 2 . . . . 46 VAL HG22 . 11569 1 460 . 1 1 46 46 VAL HG23 H 1 0.886 0.030 . 2 . . . . 46 VAL HG23 . 11569 1 461 . 1 1 46 46 VAL C C 13 174.706 0.300 . 1 . . . . 46 VAL C . 11569 1 462 . 1 1 46 46 VAL CA C 13 59.654 0.300 . 1 . . . . 46 VAL CA . 11569 1 463 . 1 1 46 46 VAL CB C 13 34.676 0.300 . 1 . . . . 46 VAL CB . 11569 1 464 . 1 1 46 46 VAL CG1 C 13 18.945 0.300 . 2 . . . . 46 VAL CG1 . 11569 1 465 . 1 1 46 46 VAL CG2 C 13 21.489 0.300 . 2 . . . . 46 VAL CG2 . 11569 1 466 . 1 1 46 46 VAL N N 15 117.785 0.300 . 1 . . . . 46 VAL N . 11569 1 467 . 1 1 47 47 ARG H H 1 8.753 0.030 . 1 . . . . 47 ARG H . 11569 1 468 . 1 1 47 47 ARG HA H 1 5.195 0.030 . 1 . . . . 47 ARG HA . 11569 1 469 . 1 1 47 47 ARG HB2 H 1 1.667 0.030 . 2 . . . . 47 ARG HB2 . 11569 1 470 . 1 1 47 47 ARG HB3 H 1 1.871 0.030 . 2 . . . . 47 ARG HB3 . 11569 1 471 . 1 1 47 47 ARG HG2 H 1 1.559 0.030 . 2 . . . . 47 ARG HG2 . 11569 1 472 . 1 1 47 47 ARG HG3 H 1 1.626 0.030 . 2 . . . . 47 ARG HG3 . 11569 1 473 . 1 1 47 47 ARG HD2 H 1 3.167 0.030 . 2 . . . . 47 ARG HD2 . 11569 1 474 . 1 1 47 47 ARG HD3 H 1 3.219 0.030 . 2 . . . . 47 ARG HD3 . 11569 1 475 . 1 1 47 47 ARG C C 13 174.282 0.300 . 1 . . . . 47 ARG C . 11569 1 476 . 1 1 47 47 ARG CA C 13 52.571 0.300 . 1 . . . . 47 ARG CA . 11569 1 477 . 1 1 47 47 ARG CB C 13 31.060 0.300 . 1 . . . . 47 ARG CB . 11569 1 478 . 1 1 47 47 ARG CG C 13 27.475 0.300 . 1 . . . . 47 ARG CG . 11569 1 479 . 1 1 47 47 ARG CD C 13 43.360 0.300 . 1 . . . . 47 ARG CD . 11569 1 480 . 1 1 47 47 ARG N N 15 123.553 0.300 . 1 . . . . 47 ARG N . 11569 1 481 . 1 1 48 48 PRO HA H 1 4.432 0.030 . 1 . . . . 48 PRO HA . 11569 1 482 . 1 1 48 48 PRO HB2 H 1 1.860 0.030 . 2 . . . . 48 PRO HB2 . 11569 1 483 . 1 1 48 48 PRO HB3 H 1 1.931 0.030 . 2 . . . . 48 PRO HB3 . 11569 1 484 . 1 1 48 48 PRO HG2 H 1 1.906 0.030 . 2 . . . . 48 PRO HG2 . 11569 1 485 . 1 1 48 48 PRO HG3 H 1 1.521 0.030 . 2 . . . . 48 PRO HG3 . 11569 1 486 . 1 1 48 48 PRO HD2 H 1 4.000 0.030 . 2 . . . . 48 PRO HD2 . 11569 1 487 . 1 1 48 48 PRO HD3 H 1 4.147 0.030 . 2 . . . . 48 PRO HD3 . 11569 1 488 . 1 1 48 48 PRO CA C 13 62.800 0.300 . 1 . . . . 48 PRO CA . 11569 1 489 . 1 1 48 48 PRO CB C 13 32.431 0.300 . 1 . . . . 48 PRO CB . 11569 1 490 . 1 1 48 48 PRO CG C 13 28.042 0.300 . 1 . . . . 48 PRO CG . 11569 1 491 . 1 1 48 48 PRO CD C 13 51.108 0.300 . 1 . . . . 48 PRO CD . 11569 1 492 . 1 1 49 49 LYS H H 1 8.316 0.030 . 1 . . . . 49 LYS H . 11569 1 493 . 1 1 49 49 LYS HA H 1 4.462 0.030 . 1 . . . . 49 LYS HA . 11569 1 494 . 1 1 49 49 LYS HB2 H 1 1.800 0.030 . 2 . . . . 49 LYS HB2 . 11569 1 495 . 1 1 49 49 LYS HB3 H 1 2.153 0.030 . 2 . . . . 49 LYS HB3 . 11569 1 496 . 1 1 49 49 LYS HG2 H 1 1.426 0.030 . 2 . . . . 49 LYS HG2 . 11569 1 497 . 1 1 49 49 LYS HG3 H 1 1.545 0.030 . 2 . . . . 49 LYS HG3 . 11569 1 498 . 1 1 49 49 LYS HD2 H 1 1.755 0.030 . 1 . . . . 49 LYS HD2 . 11569 1 499 . 1 1 49 49 LYS HD3 H 1 1.755 0.030 . 1 . . . . 49 LYS HD3 . 11569 1 500 . 1 1 49 49 LYS HE2 H 1 2.995 0.030 . 1 . . . . 49 LYS HE2 . 11569 1 501 . 1 1 49 49 LYS HE3 H 1 2.995 0.030 . 1 . . . . 49 LYS HE3 . 11569 1 502 . 1 1 49 49 LYS CA C 13 56.030 0.300 . 1 . . . . 49 LYS CA . 11569 1 503 . 1 1 49 49 LYS CB C 13 30.984 0.300 . 1 . . . . 49 LYS CB . 11569 1 504 . 1 1 49 49 LYS CG C 13 26.298 0.300 . 1 . . . . 49 LYS CG . 11569 1 505 . 1 1 49 49 LYS CD C 13 29.348 0.300 . 1 . . . . 49 LYS CD . 11569 1 506 . 1 1 49 49 LYS CE C 13 42.267 0.300 . 1 . . . . 49 LYS CE . 11569 1 507 . 1 1 49 49 LYS N N 15 123.097 0.300 . 1 . . . . 49 LYS N . 11569 1 508 . 1 1 50 50 PRO HA H 1 4.101 0.030 . 1 . . . . 50 PRO HA . 11569 1 509 . 1 1 50 50 PRO HB2 H 1 1.962 0.030 . 2 . . . . 50 PRO HB2 . 11569 1 510 . 1 1 50 50 PRO HB3 H 1 2.387 0.030 . 2 . . . . 50 PRO HB3 . 11569 1 511 . 1 1 50 50 PRO HG2 H 1 2.209 0.030 . 2 . . . . 50 PRO HG2 . 11569 1 512 . 1 1 50 50 PRO HG3 H 1 2.049 0.030 . 2 . . . . 50 PRO HG3 . 11569 1 513 . 1 1 50 50 PRO HD2 H 1 3.830 0.030 . 2 . . . . 50 PRO HD2 . 11569 1 514 . 1 1 50 50 PRO HD3 H 1 3.918 0.030 . 2 . . . . 50 PRO HD3 . 11569 1 515 . 1 1 50 50 PRO C C 13 178.995 0.300 . 1 . . . . 50 PRO C . 11569 1 516 . 1 1 50 50 PRO CA C 13 67.405 0.300 . 1 . . . . 50 PRO CA . 11569 1 517 . 1 1 50 50 PRO CB C 13 32.429 0.300 . 1 . . . . 50 PRO CB . 11569 1 518 . 1 1 50 50 PRO CG C 13 27.797 0.300 . 1 . . . . 50 PRO CG . 11569 1 519 . 1 1 50 50 PRO CD C 13 50.285 0.300 . 1 . . . . 50 PRO CD . 11569 1 520 . 1 1 51 51 LEU H H 1 8.863 0.030 . 1 . . . . 51 LEU H . 11569 1 521 . 1 1 51 51 LEU HA H 1 4.140 0.030 . 1 . . . . 51 LEU HA . 11569 1 522 . 1 1 51 51 LEU HB2 H 1 1.663 0.030 . 2 . . . . 51 LEU HB2 . 11569 1 523 . 1 1 51 51 LEU HB3 H 1 1.470 0.030 . 2 . . . . 51 LEU HB3 . 11569 1 524 . 1 1 51 51 LEU HG H 1 1.596 0.030 . 1 . . . . 51 LEU HG . 11569 1 525 . 1 1 51 51 LEU HD11 H 1 0.932 0.030 . 2 . . . . 51 LEU HD11 . 11569 1 526 . 1 1 51 51 LEU HD12 H 1 0.932 0.030 . 2 . . . . 51 LEU HD12 . 11569 1 527 . 1 1 51 51 LEU HD13 H 1 0.932 0.030 . 2 . . . . 51 LEU HD13 . 11569 1 528 . 1 1 51 51 LEU HD21 H 1 0.837 0.030 . 2 . . . . 51 LEU HD21 . 11569 1 529 . 1 1 51 51 LEU HD22 H 1 0.837 0.030 . 2 . . . . 51 LEU HD22 . 11569 1 530 . 1 1 51 51 LEU HD23 H 1 0.837 0.030 . 2 . . . . 51 LEU HD23 . 11569 1 531 . 1 1 51 51 LEU C C 13 178.122 0.300 . 1 . . . . 51 LEU C . 11569 1 532 . 1 1 51 51 LEU CA C 13 58.320 0.300 . 1 . . . . 51 LEU CA . 11569 1 533 . 1 1 51 51 LEU CB C 13 41.893 0.300 . 1 . . . . 51 LEU CB . 11569 1 534 . 1 1 51 51 LEU CG C 13 27.287 0.300 . 1 . . . . 51 LEU CG . 11569 1 535 . 1 1 51 51 LEU CD1 C 13 24.192 0.300 . 2 . . . . 51 LEU CD1 . 11569 1 536 . 1 1 51 51 LEU CD2 C 13 24.412 0.300 . 2 . . . . 51 LEU CD2 . 11569 1 537 . 1 1 51 51 LEU N N 15 118.487 0.300 . 1 . . . . 51 LEU N . 11569 1 538 . 1 1 52 52 LEU H H 1 7.067 0.030 . 1 . . . . 52 LEU H . 11569 1 539 . 1 1 52 52 LEU HA H 1 4.099 0.030 . 1 . . . . 52 LEU HA . 11569 1 540 . 1 1 52 52 LEU HB2 H 1 1.967 0.030 . 2 . . . . 52 LEU HB2 . 11569 1 541 . 1 1 52 52 LEU HB3 H 1 1.416 0.030 . 2 . . . . 52 LEU HB3 . 11569 1 542 . 1 1 52 52 LEU HG H 1 1.413 0.030 . 1 . . . . 52 LEU HG . 11569 1 543 . 1 1 52 52 LEU HD11 H 1 0.898 0.030 . 2 . . . . 52 LEU HD11 . 11569 1 544 . 1 1 52 52 LEU HD12 H 1 0.898 0.030 . 2 . . . . 52 LEU HD12 . 11569 1 545 . 1 1 52 52 LEU HD13 H 1 0.898 0.030 . 2 . . . . 52 LEU HD13 . 11569 1 546 . 1 1 52 52 LEU HD21 H 1 0.863 0.030 . 2 . . . . 52 LEU HD21 . 11569 1 547 . 1 1 52 52 LEU HD22 H 1 0.863 0.030 . 2 . . . . 52 LEU HD22 . 11569 1 548 . 1 1 52 52 LEU HD23 H 1 0.863 0.030 . 2 . . . . 52 LEU HD23 . 11569 1 549 . 1 1 52 52 LEU C C 13 177.977 0.300 . 1 . . . . 52 LEU C . 11569 1 550 . 1 1 52 52 LEU CA C 13 56.836 0.300 . 1 . . . . 52 LEU CA . 11569 1 551 . 1 1 52 52 LEU CB C 13 40.761 0.300 . 1 . . . . 52 LEU CB . 11569 1 552 . 1 1 52 52 LEU CG C 13 27.361 0.300 . 1 . . . . 52 LEU CG . 11569 1 553 . 1 1 52 52 LEU CD1 C 13 22.583 0.300 . 2 . . . . 52 LEU CD1 . 11569 1 554 . 1 1 52 52 LEU CD2 C 13 26.320 0.300 . 2 . . . . 52 LEU CD2 . 11569 1 555 . 1 1 52 52 LEU N N 15 117.307 0.300 . 1 . . . . 52 LEU N . 11569 1 556 . 1 1 53 53 LEU H H 1 8.499 0.030 . 1 . . . . 53 LEU H . 11569 1 557 . 1 1 53 53 LEU HA H 1 3.843 0.030 . 1 . . . . 53 LEU HA . 11569 1 558 . 1 1 53 53 LEU HB2 H 1 1.440 0.030 . 2 . . . . 53 LEU HB2 . 11569 1 559 . 1 1 53 53 LEU HB3 H 1 1.831 0.030 . 2 . . . . 53 LEU HB3 . 11569 1 560 . 1 1 53 53 LEU HG H 1 1.590 0.030 . 1 . . . . 53 LEU HG . 11569 1 561 . 1 1 53 53 LEU HD11 H 1 0.991 0.030 . 2 . . . . 53 LEU HD11 . 11569 1 562 . 1 1 53 53 LEU HD12 H 1 0.991 0.030 . 2 . . . . 53 LEU HD12 . 11569 1 563 . 1 1 53 53 LEU HD13 H 1 0.991 0.030 . 2 . . . . 53 LEU HD13 . 11569 1 564 . 1 1 53 53 LEU HD21 H 1 1.064 0.030 . 2 . . . . 53 LEU HD21 . 11569 1 565 . 1 1 53 53 LEU HD22 H 1 1.064 0.030 . 2 . . . . 53 LEU HD22 . 11569 1 566 . 1 1 53 53 LEU HD23 H 1 1.064 0.030 . 2 . . . . 53 LEU HD23 . 11569 1 567 . 1 1 53 53 LEU C C 13 177.860 0.300 . 1 . . . . 53 LEU C . 11569 1 568 . 1 1 53 53 LEU CA C 13 58.160 0.300 . 1 . . . . 53 LEU CA . 11569 1 569 . 1 1 53 53 LEU CB C 13 41.474 0.300 . 1 . . . . 53 LEU CB . 11569 1 570 . 1 1 53 53 LEU CG C 13 26.770 0.300 . 1 . . . . 53 LEU CG . 11569 1 571 . 1 1 53 53 LEU CD1 C 13 25.128 0.300 . 2 . . . . 53 LEU CD1 . 11569 1 572 . 1 1 53 53 LEU CD2 C 13 24.008 0.300 . 2 . . . . 53 LEU CD2 . 11569 1 573 . 1 1 53 53 LEU N N 15 119.994 0.300 . 1 . . . . 53 LEU N . 11569 1 574 . 1 1 54 54 LYS H H 1 7.885 0.030 . 1 . . . . 54 LYS H . 11569 1 575 . 1 1 54 54 LYS HA H 1 3.875 0.030 . 1 . . . . 54 LYS HA . 11569 1 576 . 1 1 54 54 LYS HB2 H 1 1.908 0.030 . 2 . . . . 54 LYS HB2 . 11569 1 577 . 1 1 54 54 LYS HB3 H 1 1.997 0.030 . 2 . . . . 54 LYS HB3 . 11569 1 578 . 1 1 54 54 LYS HG2 H 1 1.296 0.030 . 2 . . . . 54 LYS HG2 . 11569 1 579 . 1 1 54 54 LYS HG3 H 1 1.530 0.030 . 2 . . . . 54 LYS HG3 . 11569 1 580 . 1 1 54 54 LYS HD2 H 1 1.654 0.030 . 1 . . . . 54 LYS HD2 . 11569 1 581 . 1 1 54 54 LYS HD3 H 1 1.654 0.030 . 1 . . . . 54 LYS HD3 . 11569 1 582 . 1 1 54 54 LYS HE2 H 1 2.941 0.030 . 2 . . . . 54 LYS HE2 . 11569 1 583 . 1 1 54 54 LYS HE3 H 1 2.840 0.030 . 2 . . . . 54 LYS HE3 . 11569 1 584 . 1 1 54 54 LYS C C 13 179.294 0.300 . 1 . . . . 54 LYS C . 11569 1 585 . 1 1 54 54 LYS CA C 13 59.830 0.300 . 1 . . . . 54 LYS CA . 11569 1 586 . 1 1 54 54 LYS CB C 13 32.303 0.300 . 1 . . . . 54 LYS CB . 11569 1 587 . 1 1 54 54 LYS CG C 13 25.008 0.300 . 1 . . . . 54 LYS CG . 11569 1 588 . 1 1 54 54 LYS CD C 13 29.825 0.300 . 1 . . . . 54 LYS CD . 11569 1 589 . 1 1 54 54 LYS CE C 13 42.064 0.300 . 1 . . . . 54 LYS CE . 11569 1 590 . 1 1 54 54 LYS N N 15 117.877 0.300 . 1 . . . . 54 LYS N . 11569 1 591 . 1 1 55 55 LEU H H 1 7.317 0.030 . 1 . . . . 55 LEU H . 11569 1 592 . 1 1 55 55 LEU HA H 1 3.739 0.030 . 1 . . . . 55 LEU HA . 11569 1 593 . 1 1 55 55 LEU HB2 H 1 1.519 0.030 . 2 . . . . 55 LEU HB2 . 11569 1 594 . 1 1 55 55 LEU HB3 H 1 1.462 0.030 . 2 . . . . 55 LEU HB3 . 11569 1 595 . 1 1 55 55 LEU HG H 1 1.046 0.030 . 1 . . . . 55 LEU HG . 11569 1 596 . 1 1 55 55 LEU HD11 H 1 0.214 0.030 . 2 . . . . 55 LEU HD11 . 11569 1 597 . 1 1 55 55 LEU HD12 H 1 0.214 0.030 . 2 . . . . 55 LEU HD12 . 11569 1 598 . 1 1 55 55 LEU HD13 H 1 0.214 0.030 . 2 . . . . 55 LEU HD13 . 11569 1 599 . 1 1 55 55 LEU HD21 H 1 0.369 0.030 . 2 . . . . 55 LEU HD21 . 11569 1 600 . 1 1 55 55 LEU HD22 H 1 0.369 0.030 . 2 . . . . 55 LEU HD22 . 11569 1 601 . 1 1 55 55 LEU HD23 H 1 0.369 0.030 . 2 . . . . 55 LEU HD23 . 11569 1 602 . 1 1 55 55 LEU C C 13 179.892 0.300 . 1 . . . . 55 LEU C . 11569 1 603 . 1 1 55 55 LEU CA C 13 59.465 0.300 . 1 . . . . 55 LEU CA . 11569 1 604 . 1 1 55 55 LEU CB C 13 41.223 0.300 . 1 . . . . 55 LEU CB . 11569 1 605 . 1 1 55 55 LEU CG C 13 27.283 0.300 . 1 . . . . 55 LEU CG . 11569 1 606 . 1 1 55 55 LEU CD1 C 13 27.153 0.300 . 2 . . . . 55 LEU CD1 . 11569 1 607 . 1 1 55 55 LEU CD2 C 13 24.071 0.300 . 2 . . . . 55 LEU CD2 . 11569 1 608 . 1 1 55 55 LEU N N 15 121.032 0.300 . 1 . . . . 55 LEU N . 11569 1 609 . 1 1 56 56 LEU H H 1 8.334 0.030 . 1 . . . . 56 LEU H . 11569 1 610 . 1 1 56 56 LEU HA H 1 3.670 0.030 . 1 . . . . 56 LEU HA . 11569 1 611 . 1 1 56 56 LEU HB2 H 1 1.730 0.030 . 2 . . . . 56 LEU HB2 . 11569 1 612 . 1 1 56 56 LEU HB3 H 1 1.136 0.030 . 2 . . . . 56 LEU HB3 . 11569 1 613 . 1 1 56 56 LEU HG H 1 1.806 0.030 . 1 . . . . 56 LEU HG . 11569 1 614 . 1 1 56 56 LEU HD11 H 1 0.593 0.030 . 2 . . . . 56 LEU HD11 . 11569 1 615 . 1 1 56 56 LEU HD12 H 1 0.593 0.030 . 2 . . . . 56 LEU HD12 . 11569 1 616 . 1 1 56 56 LEU HD13 H 1 0.593 0.030 . 2 . . . . 56 LEU HD13 . 11569 1 617 . 1 1 56 56 LEU HD21 H 1 0.360 0.030 . 2 . . . . 56 LEU HD21 . 11569 1 618 . 1 1 56 56 LEU HD22 H 1 0.360 0.030 . 2 . . . . 56 LEU HD22 . 11569 1 619 . 1 1 56 56 LEU HD23 H 1 0.360 0.030 . 2 . . . . 56 LEU HD23 . 11569 1 620 . 1 1 56 56 LEU C C 13 179.293 0.300 . 1 . . . . 56 LEU C . 11569 1 621 . 1 1 56 56 LEU CA C 13 58.043 0.300 . 1 . . . . 56 LEU CA . 11569 1 622 . 1 1 56 56 LEU CB C 13 39.781 0.300 . 1 . . . . 56 LEU CB . 11569 1 623 . 1 1 56 56 LEU CG C 13 26.420 0.300 . 1 . . . . 56 LEU CG . 11569 1 624 . 1 1 56 56 LEU CD1 C 13 22.910 0.300 . 2 . . . . 56 LEU CD1 . 11569 1 625 . 1 1 56 56 LEU CD2 C 13 25.523 0.300 . 2 . . . . 56 LEU CD2 . 11569 1 626 . 1 1 56 56 LEU N N 15 120.349 0.300 . 1 . . . . 56 LEU N . 11569 1 627 . 1 1 57 57 LYS H H 1 8.738 0.030 . 1 . . . A 57 LYS H . 11569 1 628 . 1 1 57 57 LYS HA H 1 4.203 0.030 . 1 . . . A 57 LYS HA . 11569 1 629 . 1 1 57 57 LYS HB2 H 1 1.846 0.030 . 1 . . . A 57 LYS HB2 . 11569 1 630 . 1 1 57 57 LYS HB3 H 1 1.846 0.030 . 1 . . . A 57 LYS HB3 . 11569 1 631 . 1 1 57 57 LYS HG2 H 1 1.348 0.030 . 2 . . . A 57 LYS HG2 . 11569 1 632 . 1 1 57 57 LYS HG3 H 1 1.623 0.030 . 2 . . . A 57 LYS HG3 . 11569 1 633 . 1 1 57 57 LYS HD2 H 1 1.621 0.030 . 1 . . . A 57 LYS HD2 . 11569 1 634 . 1 1 57 57 LYS HD3 H 1 1.621 0.030 . 1 . . . A 57 LYS HD3 . 11569 1 635 . 1 1 57 57 LYS HE2 H 1 2.835 0.030 . 1 . . . A 57 LYS HE2 . 11569 1 636 . 1 1 57 57 LYS HE3 H 1 2.835 0.030 . 1 . . . A 57 LYS HE3 . 11569 1 637 . 1 1 57 57 LYS C C 13 180.368 0.300 . 1 . . . A 57 LYS C . 11569 1 638 . 1 1 57 57 LYS CA C 13 59.386 0.300 . 1 . . . A 57 LYS CA . 11569 1 639 . 1 1 57 57 LYS CB C 13 32.219 0.300 . 1 . . . A 57 LYS CB . 11569 1 640 . 1 1 57 57 LYS CG C 13 25.912 0.300 . 1 . . . A 57 LYS CG . 11569 1 641 . 1 1 57 57 LYS CD C 13 29.516 0.300 . 1 . . . A 57 LYS CD . 11569 1 642 . 1 1 57 57 LYS CE C 13 42.285 0.300 . 1 . . . A 57 LYS CE . 11569 1 643 . 1 1 57 57 LYS N N 15 118.067 0.300 . 1 . . . A 57 LYS N . 11569 1 644 . 1 1 58 58 SER H H 1 7.836 0.030 . 1 . . . . 58 SER H . 11569 1 645 . 1 1 58 58 SER HA H 1 4.452 0.030 . 1 . . . . 58 SER HA . 11569 1 646 . 1 1 58 58 SER HB2 H 1 4.244 0.030 . 2 . . . . 58 SER HB2 . 11569 1 647 . 1 1 58 58 SER HB3 H 1 4.149 0.030 . 2 . . . . 58 SER HB3 . 11569 1 648 . 1 1 58 58 SER HG H 1 4.407 0.030 . 1 . . . . 58 SER HG . 11569 1 649 . 1 1 58 58 SER C C 13 175.382 0.300 . 1 . . . . 58 SER C . 11569 1 650 . 1 1 58 58 SER CA C 13 61.668 0.300 . 1 . . . . 58 SER CA . 11569 1 651 . 1 1 58 58 SER CB C 13 63.125 0.300 . 1 . . . . 58 SER CB . 11569 1 652 . 1 1 58 58 SER N N 15 116.533 0.300 . 1 . . . . 58 SER N . 11569 1 653 . 1 1 59 59 VAL H H 1 7.304 0.030 . 1 . . . A 59 VAL H . 11569 1 654 . 1 1 59 59 VAL HA H 1 4.755 0.030 . 1 . . . A 59 VAL HA . 11569 1 655 . 1 1 59 59 VAL HB H 1 2.734 0.030 . 1 . . . A 59 VAL HB . 11569 1 656 . 1 1 59 59 VAL HG11 H 1 1.270 0.030 . 2 . . . A 59 VAL HG11 . 11569 1 657 . 1 1 59 59 VAL HG12 H 1 1.270 0.030 . 2 . . . A 59 VAL HG12 . 11569 1 658 . 1 1 59 59 VAL HG13 H 1 1.270 0.030 . 2 . . . A 59 VAL HG13 . 11569 1 659 . 1 1 59 59 VAL HG21 H 1 1.083 0.030 . 2 . . . A 59 VAL HG21 . 11569 1 660 . 1 1 59 59 VAL HG22 H 1 1.083 0.030 . 2 . . . A 59 VAL HG22 . 11569 1 661 . 1 1 59 59 VAL HG23 H 1 1.083 0.030 . 2 . . . A 59 VAL HG23 . 11569 1 662 . 1 1 59 59 VAL C C 13 175.709 0.300 . 1 . . . A 59 VAL C . 11569 1 663 . 1 1 59 59 VAL CA C 13 60.577 0.300 . 1 . . . A 59 VAL CA . 11569 1 664 . 1 1 59 59 VAL CB C 13 31.264 0.300 . 1 . . . A 59 VAL CB . 11569 1 665 . 1 1 59 59 VAL CG1 C 13 19.917 0.300 . 2 . . . A 59 VAL CG1 . 11569 1 666 . 1 1 59 59 VAL CG2 C 13 22.144 0.300 . 2 . . . A 59 VAL CG2 . 11569 1 667 . 1 1 59 59 VAL N N 15 113.078 0.300 . 1 . . . A 59 VAL N . 11569 1 668 . 1 1 60 60 GLY H H 1 7.516 0.030 . 1 . . . . 60 GLY H . 11569 1 669 . 1 1 60 60 GLY HA2 H 1 3.730 0.030 . 2 . . . . 60 GLY HA2 . 11569 1 670 . 1 1 60 60 GLY HA3 H 1 4.373 0.030 . 2 . . . . 60 GLY HA3 . 11569 1 671 . 1 1 60 60 GLY C C 13 174.328 0.300 . 1 . . . . 60 GLY C . 11569 1 672 . 1 1 60 60 GLY CA C 13 45.623 0.300 . 1 . . . . 60 GLY CA . 11569 1 673 . 1 1 60 60 GLY N N 15 106.552 0.300 . 1 . . . . 60 GLY N . 11569 1 674 . 1 1 61 61 ALA H H 1 7.429 0.030 . 1 . . . . 61 ALA H . 11569 1 675 . 1 1 61 61 ALA HA H 1 4.030 0.030 . 1 . . . . 61 ALA HA . 11569 1 676 . 1 1 61 61 ALA HB1 H 1 0.589 0.030 . 1 . . . . 61 ALA HB1 . 11569 1 677 . 1 1 61 61 ALA HB2 H 1 0.589 0.030 . 1 . . . . 61 ALA HB2 . 11569 1 678 . 1 1 61 61 ALA HB3 H 1 0.589 0.030 . 1 . . . . 61 ALA HB3 . 11569 1 679 . 1 1 61 61 ALA C C 13 177.921 0.300 . 1 . . . . 61 ALA C . 11569 1 680 . 1 1 61 61 ALA CA C 13 53.193 0.300 . 1 . . . . 61 ALA CA . 11569 1 681 . 1 1 61 61 ALA CB C 13 18.281 0.300 . 1 . . . . 61 ALA CB . 11569 1 682 . 1 1 61 61 ALA N N 15 124.978 0.300 . 1 . . . . 61 ALA N . 11569 1 683 . 1 1 62 62 GLN H H 1 8.626 0.030 . 1 . . . . 62 GLN H . 11569 1 684 . 1 1 62 62 GLN HA H 1 4.499 0.030 . 1 . . . . 62 GLN HA . 11569 1 685 . 1 1 62 62 GLN HB2 H 1 2.292 0.030 . 2 . . . . 62 GLN HB2 . 11569 1 686 . 1 1 62 62 GLN HB3 H 1 1.839 0.030 . 2 . . . . 62 GLN HB3 . 11569 1 687 . 1 1 62 62 GLN HG2 H 1 2.393 0.030 . 2 . . . . 62 GLN HG2 . 11569 1 688 . 1 1 62 62 GLN HG3 H 1 2.303 0.030 . 2 . . . . 62 GLN HG3 . 11569 1 689 . 1 1 62 62 GLN C C 13 175.789 0.300 . 1 . . . . 62 GLN C . 11569 1 690 . 1 1 62 62 GLN CA C 13 55.844 0.300 . 1 . . . . 62 GLN CA . 11569 1 691 . 1 1 62 62 GLN CB C 13 30.754 0.300 . 1 . . . . 62 GLN CB . 11569 1 692 . 1 1 62 62 GLN CG C 13 33.632 0.300 . 1 . . . . 62 GLN CG . 11569 1 693 . 1 1 62 62 GLN N N 15 118.879 0.300 . 1 . . . . 62 GLN N . 11569 1 694 . 1 1 63 63 LYS H H 1 7.504 0.030 . 1 . . . . 63 LYS H . 11569 1 695 . 1 1 63 63 LYS HA H 1 4.583 0.030 . 1 . . . . 63 LYS HA . 11569 1 696 . 1 1 63 63 LYS HB2 H 1 1.698 0.030 . 2 . . . . 63 LYS HB2 . 11569 1 697 . 1 1 63 63 LYS HB3 H 1 1.311 0.030 . 2 . . . . 63 LYS HB3 . 11569 1 698 . 1 1 63 63 LYS HG2 H 1 1.159 0.030 . 2 . . . . 63 LYS HG2 . 11569 1 699 . 1 1 63 63 LYS HG3 H 1 1.272 0.030 . 2 . . . . 63 LYS HG3 . 11569 1 700 . 1 1 63 63 LYS HD2 H 1 1.630 0.030 . 2 . . . . 63 LYS HD2 . 11569 1 701 . 1 1 63 63 LYS HE2 H 1 2.878 0.030 . 2 . . . . 63 LYS HE2 . 11569 1 702 . 1 1 63 63 LYS C C 13 176.430 0.300 . 1 . . . . 63 LYS C . 11569 1 703 . 1 1 63 63 LYS CA C 13 55.592 0.300 . 1 . . . . 63 LYS CA . 11569 1 704 . 1 1 63 63 LYS CB C 13 34.439 0.300 . 1 . . . . 63 LYS CB . 11569 1 705 . 1 1 63 63 LYS CG C 13 24.595 0.300 . 1 . . . . 63 LYS CG . 11569 1 706 . 1 1 63 63 LYS CD C 13 29.057 0.300 . 1 . . . . 63 LYS CD . 11569 1 707 . 1 1 63 63 LYS CE C 13 41.964 0.300 . 1 . . . . 63 LYS CE . 11569 1 708 . 1 1 63 63 LYS N N 15 118.757 0.300 . 1 . . . . 63 LYS N . 11569 1 709 . 1 1 64 64 ASP HA H 1 4.848 0.030 . 1 . . . . 64 ASP HA . 11569 1 710 . 1 1 64 64 ASP HB2 H 1 2.684 0.030 . 1 . . . . 64 ASP HB2 . 11569 1 711 . 1 1 64 64 ASP HB3 H 1 2.684 0.030 . 1 . . . . 64 ASP HB3 . 11569 1 712 . 1 1 64 64 ASP C C 13 175.692 0.300 . 1 . . . . 64 ASP C . 11569 1 713 . 1 1 64 64 ASP CA C 13 55.122 0.300 . 1 . . . . 64 ASP CA . 11569 1 714 . 1 1 64 64 ASP CB C 13 42.312 0.300 . 1 . . . . 64 ASP CB . 11569 1 715 . 1 1 65 65 THR H H 1 6.944 0.030 . 1 . . . . 65 THR H . 11569 1 716 . 1 1 65 65 THR HA H 1 4.946 0.030 . 1 . . . . 65 THR HA . 11569 1 717 . 1 1 65 65 THR HB H 1 3.947 0.030 . 1 . . . . 65 THR HB . 11569 1 718 . 1 1 65 65 THR HG21 H 1 1.071 0.030 . 1 . . . . 65 THR HG21 . 11569 1 719 . 1 1 65 65 THR HG22 H 1 1.071 0.030 . 1 . . . . 65 THR HG22 . 11569 1 720 . 1 1 65 65 THR HG23 H 1 1.071 0.030 . 1 . . . . 65 THR HG23 . 11569 1 721 . 1 1 65 65 THR C C 13 172.274 0.300 . 1 . . . . 65 THR C . 11569 1 722 . 1 1 65 65 THR CA C 13 59.856 0.300 . 1 . . . . 65 THR CA . 11569 1 723 . 1 1 65 65 THR CB C 13 71.875 0.300 . 1 . . . . 65 THR CB . 11569 1 724 . 1 1 65 65 THR CG2 C 13 21.985 0.300 . 1 . . . . 65 THR CG2 . 11569 1 725 . 1 1 65 65 THR N N 15 109.397 0.300 . 1 . . . . 65 THR N . 11569 1 726 . 1 1 66 66 TYR H H 1 8.523 0.030 . 1 . . . A 66 TYR H . 11569 1 727 . 1 1 66 66 TYR HA H 1 4.942 0.030 . 1 . . . A 66 TYR HA . 11569 1 728 . 1 1 66 66 TYR HB2 H 1 2.230 0.030 . 2 . . . A 66 TYR HB2 . 11569 1 729 . 1 1 66 66 TYR HB3 H 1 3.619 0.030 . 2 . . . A 66 TYR HB3 . 11569 1 730 . 1 1 66 66 TYR HD1 H 1 6.918 0.030 . 1 . . . A 66 TYR HD1 . 11569 1 731 . 1 1 66 66 TYR HD2 H 1 6.918 0.030 . 1 . . . A 66 TYR HD2 . 11569 1 732 . 1 1 66 66 TYR HE1 H 1 6.555 0.030 . 1 . . . A 66 TYR HE1 . 11569 1 733 . 1 1 66 66 TYR HE2 H 1 6.555 0.030 . 1 . . . A 66 TYR HE2 . 11569 1 734 . 1 1 66 66 TYR C C 13 176.094 0.300 . 1 . . . A 66 TYR C . 11569 1 735 . 1 1 66 66 TYR CA C 13 57.640 0.300 . 1 . . . A 66 TYR CA . 11569 1 736 . 1 1 66 66 TYR CB C 13 46.236 0.300 . 1 . . . A 66 TYR CB . 11569 1 737 . 1 1 66 66 TYR CD1 C 13 132.123 0.300 . 1 . . . A 66 TYR CD1 . 11569 1 738 . 1 1 66 66 TYR CD2 C 13 132.123 0.300 . 1 . . . A 66 TYR CD2 . 11569 1 739 . 1 1 66 66 TYR CE1 C 13 119.044 0.300 . 1 . . . A 66 TYR CE1 . 11569 1 740 . 1 1 66 66 TYR CE2 C 13 119.044 0.300 . 1 . . . A 66 TYR CE2 . 11569 1 741 . 1 1 66 66 TYR N N 15 118.744 0.300 . 1 . . . A 66 TYR N . 11569 1 742 . 1 1 67 67 THR H H 1 9.142 0.030 . 1 . . . . 67 THR H . 11569 1 743 . 1 1 67 67 THR HA H 1 5.087 0.030 . 1 . . . . 67 THR HA . 11569 1 744 . 1 1 67 67 THR HB H 1 4.784 0.030 . 1 . . . . 67 THR HB . 11569 1 745 . 1 1 67 67 THR HG21 H 1 1.283 0.030 . 1 . . . . 67 THR HG21 . 11569 1 746 . 1 1 67 67 THR HG22 H 1 1.283 0.030 . 1 . . . . 67 THR HG22 . 11569 1 747 . 1 1 67 67 THR HG23 H 1 1.283 0.030 . 1 . . . . 67 THR HG23 . 11569 1 748 . 1 1 67 67 THR C C 13 176.565 0.300 . 1 . . . . 67 THR C . 11569 1 749 . 1 1 67 67 THR CA C 13 60.997 0.300 . 1 . . . . 67 THR CA . 11569 1 750 . 1 1 67 67 THR CB C 13 70.705 0.300 . 1 . . . . 67 THR CB . 11569 1 751 . 1 1 67 67 THR CG2 C 13 22.377 0.300 . 1 . . . . 67 THR CG2 . 11569 1 752 . 1 1 67 67 THR N N 15 111.862 0.300 . 1 . . . . 67 THR N . 11569 1 753 . 1 1 68 68 MET H H 1 9.354 0.030 . 1 . . . A 68 MET H . 11569 1 754 . 1 1 68 68 MET HA H 1 4.359 0.030 . 1 . . . A 68 MET HA . 11569 1 755 . 1 1 68 68 MET HB2 H 1 2.103 0.030 . 1 . . . A 68 MET HB2 . 11569 1 756 . 1 1 68 68 MET HB3 H 1 2.103 0.030 . 1 . . . A 68 MET HB3 . 11569 1 757 . 1 1 68 68 MET HG2 H 1 2.470 0.030 . 2 . . . A 68 MET HG2 . 11569 1 758 . 1 1 68 68 MET HG3 H 1 2.598 0.030 . 2 . . . A 68 MET HG3 . 11569 1 759 . 1 1 68 68 MET HE1 H 1 1.913 0.030 . 1 . . . A 68 MET HE1 . 11569 1 760 . 1 1 68 68 MET HE2 H 1 1.913 0.030 . 1 . . . A 68 MET HE2 . 11569 1 761 . 1 1 68 68 MET HE3 H 1 1.913 0.030 . 1 . . . A 68 MET HE3 . 11569 1 762 . 1 1 68 68 MET C C 13 178.173 0.300 . 1 . . . A 68 MET C . 11569 1 763 . 1 1 68 68 MET CA C 13 57.825 0.300 . 1 . . . A 68 MET CA . 11569 1 764 . 1 1 68 68 MET CB C 13 30.754 0.300 . 1 . . . A 68 MET CB . 11569 1 765 . 1 1 68 68 MET CG C 13 32.533 0.300 . 1 . . . A 68 MET CG . 11569 1 766 . 1 1 68 68 MET CE C 13 16.707 0.300 . 1 . . . A 68 MET CE . 11569 1 767 . 1 1 68 68 MET N N 15 121.693 0.300 . 1 . . . A 68 MET N . 11569 1 768 . 1 1 69 69 LYS H H 1 8.453 0.030 . 1 . . . . 69 LYS H . 11569 1 769 . 1 1 69 69 LYS HA H 1 3.932 0.030 . 1 . . . . 69 LYS HA . 11569 1 770 . 1 1 69 69 LYS HB2 H 1 1.887 0.030 . 2 . . . . 69 LYS HB2 . 11569 1 771 . 1 1 69 69 LYS HB3 H 1 1.793 0.030 . 2 . . . . 69 LYS HB3 . 11569 1 772 . 1 1 69 69 LYS HG2 H 1 1.491 0.030 . 1 . . . . 69 LYS HG2 . 11569 1 773 . 1 1 69 69 LYS HG3 H 1 1.491 0.030 . 1 . . . . 69 LYS HG3 . 11569 1 774 . 1 1 69 69 LYS HD2 H 1 1.693 0.030 . 1 . . . . 69 LYS HD2 . 11569 1 775 . 1 1 69 69 LYS HD3 H 1 1.693 0.030 . 1 . . . . 69 LYS HD3 . 11569 1 776 . 1 1 69 69 LYS HE2 H 1 2.946 0.030 . 1 . . . . 69 LYS HE2 . 11569 1 777 . 1 1 69 69 LYS HE3 H 1 2.946 0.030 . 1 . . . . 69 LYS HE3 . 11569 1 778 . 1 1 69 69 LYS C C 13 178.798 0.300 . 1 . . . . 69 LYS C . 11569 1 779 . 1 1 69 69 LYS CA C 13 60.628 0.300 . 1 . . . . 69 LYS CA . 11569 1 780 . 1 1 69 69 LYS CB C 13 32.414 0.300 . 1 . . . . 69 LYS CB . 11569 1 781 . 1 1 69 69 LYS CG C 13 25.921 0.300 . 1 . . . . 69 LYS CG . 11569 1 782 . 1 1 69 69 LYS CD C 13 29.324 0.300 . 1 . . . . 69 LYS CD . 11569 1 783 . 1 1 69 69 LYS CE C 13 42.044 0.300 . 1 . . . . 69 LYS CE . 11569 1 784 . 1 1 69 69 LYS N N 15 118.196 0.300 . 1 . . . . 69 LYS N . 11569 1 785 . 1 1 70 70 GLU H H 1 7.836 0.030 . 1 . . . . 70 GLU H . 11569 1 786 . 1 1 70 70 GLU HA H 1 4.110 0.030 . 1 . . . . 70 GLU HA . 11569 1 787 . 1 1 70 70 GLU HB2 H 1 2.290 0.030 . 2 . . . . 70 GLU HB2 . 11569 1 788 . 1 1 70 70 GLU HB3 H 1 2.917 0.030 . 2 . . . . 70 GLU HB3 . 11569 1 789 . 1 1 70 70 GLU HG2 H 1 2.583 0.030 . 2 . . . . 70 GLU HG2 . 11569 1 790 . 1 1 70 70 GLU HG3 H 1 2.361 0.030 . 2 . . . . 70 GLU HG3 . 11569 1 791 . 1 1 70 70 GLU C C 13 178.765 0.300 . 1 . . . . 70 GLU C . 11569 1 792 . 1 1 70 70 GLU CA C 13 59.638 0.300 . 1 . . . . 70 GLU CA . 11569 1 793 . 1 1 70 70 GLU CB C 13 31.527 0.300 . 1 . . . . 70 GLU CB . 11569 1 794 . 1 1 70 70 GLU CG C 13 37.854 0.300 . 1 . . . . 70 GLU CG . 11569 1 795 . 1 1 70 70 GLU N N 15 118.536 0.300 . 1 . . . . 70 GLU N . 11569 1 796 . 1 1 71 71 VAL H H 1 8.298 0.030 . 1 . . . . 71 VAL H . 11569 1 797 . 1 1 71 71 VAL HA H 1 3.448 0.030 . 1 . . . . 71 VAL HA . 11569 1 798 . 1 1 71 71 VAL HB H 1 2.462 0.030 . 1 . . . . 71 VAL HB . 11569 1 799 . 1 1 71 71 VAL HG11 H 1 0.892 0.030 . 2 . . . . 71 VAL HG11 . 11569 1 800 . 1 1 71 71 VAL HG12 H 1 0.892 0.030 . 2 . . . . 71 VAL HG12 . 11569 1 801 . 1 1 71 71 VAL HG13 H 1 0.892 0.030 . 2 . . . . 71 VAL HG13 . 11569 1 802 . 1 1 71 71 VAL HG21 H 1 0.859 0.030 . 2 . . . . 71 VAL HG21 . 11569 1 803 . 1 1 71 71 VAL HG22 H 1 0.859 0.030 . 2 . . . . 71 VAL HG22 . 11569 1 804 . 1 1 71 71 VAL HG23 H 1 0.859 0.030 . 2 . . . . 71 VAL HG23 . 11569 1 805 . 1 1 71 71 VAL C C 13 178.060 0.300 . 1 . . . . 71 VAL C . 11569 1 806 . 1 1 71 71 VAL CA C 13 67.632 0.300 . 1 . . . . 71 VAL CA . 11569 1 807 . 1 1 71 71 VAL CB C 13 31.073 0.300 . 1 . . . . 71 VAL CB . 11569 1 808 . 1 1 71 71 VAL CG1 C 13 23.154 0.300 . 2 . . . . 71 VAL CG1 . 11569 1 809 . 1 1 71 71 VAL CG2 C 13 22.834 0.300 . 2 . . . . 71 VAL CG2 . 11569 1 810 . 1 1 71 71 VAL N N 15 118.281 0.300 . 1 . . . . 71 VAL N . 11569 1 811 . 1 1 72 72 LEU H H 1 8.549 0.030 . 1 . . . A 72 LEU H . 11569 1 812 . 1 1 72 72 LEU HA H 1 4.337 0.030 . 1 . . . A 72 LEU HA . 11569 1 813 . 1 1 72 72 LEU HB2 H 1 2.146 0.030 . 2 . . . A 72 LEU HB2 . 11569 1 814 . 1 1 72 72 LEU HB3 H 1 1.316 0.030 . 2 . . . A 72 LEU HB3 . 11569 1 815 . 1 1 72 72 LEU HG H 1 1.818 0.030 . 1 . . . A 72 LEU HG . 11569 1 816 . 1 1 72 72 LEU HD11 H 1 0.713 0.030 . 2 . . . A 72 LEU HD11 . 11569 1 817 . 1 1 72 72 LEU HD12 H 1 0.713 0.030 . 2 . . . A 72 LEU HD12 . 11569 1 818 . 1 1 72 72 LEU HD13 H 1 0.713 0.030 . 2 . . . A 72 LEU HD13 . 11569 1 819 . 1 1 72 72 LEU HD21 H 1 0.638 0.030 . 2 . . . A 72 LEU HD21 . 11569 1 820 . 1 1 72 72 LEU HD22 H 1 0.638 0.030 . 2 . . . A 72 LEU HD22 . 11569 1 821 . 1 1 72 72 LEU HD23 H 1 0.638 0.030 . 2 . . . A 72 LEU HD23 . 11569 1 822 . 1 1 72 72 LEU C C 13 180.638 0.300 . 1 . . . A 72 LEU C . 11569 1 823 . 1 1 72 72 LEU CA C 13 58.294 0.300 . 1 . . . A 72 LEU CA . 11569 1 824 . 1 1 72 72 LEU CB C 13 42.424 0.300 . 1 . . . A 72 LEU CB . 11569 1 825 . 1 1 72 72 LEU CG C 13 27.219 0.300 . 1 . . . A 72 LEU CG . 11569 1 826 . 1 1 72 72 LEU CD1 C 13 23.136 0.300 . 2 . . . A 72 LEU CD1 . 11569 1 827 . 1 1 72 72 LEU CD2 C 13 26.430 0.300 . 2 . . . A 72 LEU CD2 . 11569 1 828 . 1 1 72 72 LEU N N 15 116.623 0.300 . 1 . . . A 72 LEU N . 11569 1 829 . 1 1 73 73 PHE H H 1 9.020 0.030 . 1 . . . . 73 PHE H . 11569 1 830 . 1 1 73 73 PHE HA H 1 4.503 0.030 . 1 . . . . 73 PHE HA . 11569 1 831 . 1 1 73 73 PHE HB2 H 1 3.302 0.030 . 1 . . . . 73 PHE HB2 . 11569 1 832 . 1 1 73 73 PHE HB3 H 1 3.302 0.030 . 1 . . . . 73 PHE HB3 . 11569 1 833 . 1 1 73 73 PHE HD1 H 1 6.695 0.030 . 1 . . . . 73 PHE HD1 . 11569 1 834 . 1 1 73 73 PHE HD2 H 1 6.695 0.030 . 1 . . . . 73 PHE HD2 . 11569 1 835 . 1 1 73 73 PHE HE1 H 1 7.310 0.030 . 1 . . . . 73 PHE HE1 . 11569 1 836 . 1 1 73 73 PHE HE2 H 1 7.310 0.030 . 1 . . . . 73 PHE HE2 . 11569 1 837 . 1 1 73 73 PHE HZ H 1 7.196 0.030 . 1 . . . . 73 PHE HZ . 11569 1 838 . 1 1 73 73 PHE C C 13 177.082 0.300 . 1 . . . . 73 PHE C . 11569 1 839 . 1 1 73 73 PHE CA C 13 63.333 0.300 . 1 . . . . 73 PHE CA . 11569 1 840 . 1 1 73 73 PHE CB C 13 39.129 0.300 . 1 . . . . 73 PHE CB . 11569 1 841 . 1 1 73 73 PHE CD1 C 13 131.710 0.300 . 1 . . . . 73 PHE CD1 . 11569 1 842 . 1 1 73 73 PHE CD2 C 13 131.710 0.300 . 1 . . . . 73 PHE CD2 . 11569 1 843 . 1 1 73 73 PHE CE1 C 13 131.683 0.300 . 1 . . . . 73 PHE CE1 . 11569 1 844 . 1 1 73 73 PHE CE2 C 13 131.683 0.300 . 1 . . . . 73 PHE CE2 . 11569 1 845 . 1 1 73 73 PHE N N 15 125.203 0.300 . 1 . . . . 73 PHE N . 11569 1 846 . 1 1 74 74 TYR H H 1 8.364 0.030 . 1 . . . . 74 TYR H . 11569 1 847 . 1 1 74 74 TYR HA H 1 4.109 0.030 . 1 . . . . 74 TYR HA . 11569 1 848 . 1 1 74 74 TYR HB2 H 1 2.860 0.030 . 2 . . . . 74 TYR HB2 . 11569 1 849 . 1 1 74 74 TYR HB3 H 1 2.979 0.030 . 2 . . . . 74 TYR HB3 . 11569 1 850 . 1 1 74 74 TYR HD1 H 1 7.219 0.030 . 1 . . . . 74 TYR HD1 . 11569 1 851 . 1 1 74 74 TYR HD2 H 1 7.219 0.030 . 1 . . . . 74 TYR HD2 . 11569 1 852 . 1 1 74 74 TYR HE1 H 1 6.997 0.030 . 1 . . . . 74 TYR HE1 . 11569 1 853 . 1 1 74 74 TYR HE2 H 1 6.997 0.030 . 1 . . . . 74 TYR HE2 . 11569 1 854 . 1 1 74 74 TYR C C 13 178.301 0.300 . 1 . . . . 74 TYR C . 11569 1 855 . 1 1 74 74 TYR CA C 13 62.812 0.300 . 1 . . . . 74 TYR CA . 11569 1 856 . 1 1 74 74 TYR CB C 13 38.912 0.300 . 1 . . . . 74 TYR CB . 11569 1 857 . 1 1 74 74 TYR CD1 C 13 133.465 0.300 . 1 . . . . 74 TYR CD1 . 11569 1 858 . 1 1 74 74 TYR CD2 C 13 133.465 0.300 . 1 . . . . 74 TYR CD2 . 11569 1 859 . 1 1 74 74 TYR CE1 C 13 118.080 0.300 . 1 . . . . 74 TYR CE1 . 11569 1 860 . 1 1 74 74 TYR CE2 C 13 118.080 0.300 . 1 . . . . 74 TYR CE2 . 11569 1 861 . 1 1 74 74 TYR N N 15 117.700 0.300 . 1 . . . . 74 TYR N . 11569 1 862 . 1 1 75 75 LEU H H 1 8.890 0.030 . 1 . . . . 75 LEU H . 11569 1 863 . 1 1 75 75 LEU HA H 1 4.055 0.030 . 1 . . . . 75 LEU HA . 11569 1 864 . 1 1 75 75 LEU HB2 H 1 1.766 0.030 . 2 . . . . 75 LEU HB2 . 11569 1 865 . 1 1 75 75 LEU HB3 H 1 2.147 0.030 . 2 . . . . 75 LEU HB3 . 11569 1 866 . 1 1 75 75 LEU HG H 1 1.805 0.030 . 1 . . . . 75 LEU HG . 11569 1 867 . 1 1 75 75 LEU HD11 H 1 0.932 0.030 . 2 . . . . 75 LEU HD11 . 11569 1 868 . 1 1 75 75 LEU HD12 H 1 0.932 0.030 . 2 . . . . 75 LEU HD12 . 11569 1 869 . 1 1 75 75 LEU HD13 H 1 0.932 0.030 . 2 . . . . 75 LEU HD13 . 11569 1 870 . 1 1 75 75 LEU HD21 H 1 1.068 0.030 . 2 . . . . 75 LEU HD21 . 11569 1 871 . 1 1 75 75 LEU HD22 H 1 1.068 0.030 . 2 . . . . 75 LEU HD22 . 11569 1 872 . 1 1 75 75 LEU HD23 H 1 1.068 0.030 . 2 . . . . 75 LEU HD23 . 11569 1 873 . 1 1 75 75 LEU C C 13 178.353 0.300 . 1 . . . . 75 LEU C . 11569 1 874 . 1 1 75 75 LEU CA C 13 58.309 0.300 . 1 . . . . 75 LEU CA . 11569 1 875 . 1 1 75 75 LEU CB C 13 42.450 0.300 . 1 . . . . 75 LEU CB . 11569 1 876 . 1 1 75 75 LEU CG C 13 27.211 0.300 . 1 . . . . 75 LEU CG . 11569 1 877 . 1 1 75 75 LEU CD1 C 13 24.736 0.300 . 2 . . . . 75 LEU CD1 . 11569 1 878 . 1 1 75 75 LEU CD2 C 13 26.152 0.300 . 2 . . . . 75 LEU CD2 . 11569 1 879 . 1 1 75 75 LEU N N 15 121.201 0.300 . 1 . . . . 75 LEU N . 11569 1 880 . 1 1 76 76 GLY H H 1 8.569 0.030 . 1 . . . . 76 GLY H . 11569 1 881 . 1 1 76 76 GLY HA2 H 1 2.582 0.030 . 2 . . . . 76 GLY HA2 . 11569 1 882 . 1 1 76 76 GLY HA3 H 1 2.507 0.030 . 2 . . . . 76 GLY HA3 . 11569 1 883 . 1 1 76 76 GLY C C 13 176.039 0.300 . 1 . . . . 76 GLY C . 11569 1 884 . 1 1 76 76 GLY CA C 13 46.064 0.300 . 1 . . . . 76 GLY CA . 11569 1 885 . 1 1 76 76 GLY N N 15 107.082 0.300 . 1 . . . . 76 GLY N . 11569 1 886 . 1 1 77 77 GLN H H 1 8.240 0.030 . 1 . . . A 77 GLN H . 11569 1 887 . 1 1 77 77 GLN HA H 1 3.732 0.030 . 1 . . . A 77 GLN HA . 11569 1 888 . 1 1 77 77 GLN HB2 H 1 2.203 0.030 . 2 . . . A 77 GLN HB2 . 11569 1 889 . 1 1 77 77 GLN HB3 H 1 2.132 0.030 . 2 . . . A 77 GLN HB3 . 11569 1 890 . 1 1 77 77 GLN HG2 H 1 1.912 0.030 . 2 . . . A 77 GLN HG2 . 11569 1 891 . 1 1 77 77 GLN HG3 H 1 1.712 0.030 . 2 . . . A 77 GLN HG3 . 11569 1 892 . 1 1 77 77 GLN C C 13 179.001 0.300 . 1 . . . A 77 GLN C . 11569 1 893 . 1 1 77 77 GLN CA C 13 59.066 0.300 . 1 . . . A 77 GLN CA . 11569 1 894 . 1 1 77 77 GLN CB C 13 27.910 0.300 . 1 . . . A 77 GLN CB . 11569 1 895 . 1 1 77 77 GLN CG C 13 33.840 0.300 . 1 . . . A 77 GLN CG . 11569 1 896 . 1 1 77 77 GLN N N 15 120.754 0.300 . 1 . . . A 77 GLN N . 11569 1 897 . 1 1 78 78 TYR H H 1 8.682 0.030 . 1 . . . . 78 TYR H . 11569 1 898 . 1 1 78 78 TYR HA H 1 3.814 0.030 . 1 . . . . 78 TYR HA . 11569 1 899 . 1 1 78 78 TYR HB2 H 1 2.919 0.030 . 2 . . . . 78 TYR HB2 . 11569 1 900 . 1 1 78 78 TYR HB3 H 1 3.540 0.030 . 2 . . . . 78 TYR HB3 . 11569 1 901 . 1 1 78 78 TYR HD1 H 1 6.825 0.030 . 1 . . . . 78 TYR HD1 . 11569 1 902 . 1 1 78 78 TYR HD2 H 1 6.825 0.030 . 1 . . . . 78 TYR HD2 . 11569 1 903 . 1 1 78 78 TYR HE1 H 1 6.757 0.030 . 1 . . . . 78 TYR HE1 . 11569 1 904 . 1 1 78 78 TYR HE2 H 1 6.757 0.030 . 1 . . . . 78 TYR HE2 . 11569 1 905 . 1 1 78 78 TYR C C 13 175.624 0.300 . 1 . . . . 78 TYR C . 11569 1 906 . 1 1 78 78 TYR CA C 13 62.692 0.300 . 1 . . . . 78 TYR CA . 11569 1 907 . 1 1 78 78 TYR CB C 13 38.174 0.300 . 1 . . . . 78 TYR CB . 11569 1 908 . 1 1 78 78 TYR CD1 C 13 132.624 0.300 . 1 . . . . 78 TYR CD1 . 11569 1 909 . 1 1 78 78 TYR CD2 C 13 132.624 0.300 . 1 . . . . 78 TYR CD2 . 11569 1 910 . 1 1 78 78 TYR CE1 C 13 118.124 0.300 . 1 . . . . 78 TYR CE1 . 11569 1 911 . 1 1 78 78 TYR CE2 C 13 118.124 0.300 . 1 . . . . 78 TYR CE2 . 11569 1 912 . 1 1 78 78 TYR N N 15 124.052 0.300 . 1 . . . . 78 TYR N . 11569 1 913 . 1 1 79 79 ILE H H 1 8.048 0.030 . 1 . . . . 79 ILE H . 11569 1 914 . 1 1 79 79 ILE HA H 1 3.109 0.030 . 1 . . . . 79 ILE HA . 11569 1 915 . 1 1 79 79 ILE HB H 1 1.504 0.030 . 1 . . . . 79 ILE HB . 11569 1 916 . 1 1 79 79 ILE HG12 H 1 0.739 0.030 . 2 . . . . 79 ILE HG12 . 11569 1 917 . 1 1 79 79 ILE HG13 H 1 1.964 0.030 . 2 . . . . 79 ILE HG13 . 11569 1 918 . 1 1 79 79 ILE HG21 H 1 0.203 0.030 . 1 . . . . 79 ILE HG21 . 11569 1 919 . 1 1 79 79 ILE HG22 H 1 0.203 0.030 . 1 . . . . 79 ILE HG22 . 11569 1 920 . 1 1 79 79 ILE HG23 H 1 0.203 0.030 . 1 . . . . 79 ILE HG23 . 11569 1 921 . 1 1 79 79 ILE HD11 H 1 0.716 0.030 . 1 . . . . 79 ILE HD11 . 11569 1 922 . 1 1 79 79 ILE HD12 H 1 0.716 0.030 . 1 . . . . 79 ILE HD12 . 11569 1 923 . 1 1 79 79 ILE HD13 H 1 0.716 0.030 . 1 . . . . 79 ILE HD13 . 11569 1 924 . 1 1 79 79 ILE C C 13 177.543 0.300 . 1 . . . . 79 ILE C . 11569 1 925 . 1 1 79 79 ILE CA C 13 65.788 0.300 . 1 . . . . 79 ILE CA . 11569 1 926 . 1 1 79 79 ILE CB C 13 37.901 0.300 . 1 . . . . 79 ILE CB . 11569 1 927 . 1 1 79 79 ILE CG1 C 13 30.467 0.300 . 1 . . . . 79 ILE CG1 . 11569 1 928 . 1 1 79 79 ILE CG2 C 13 19.355 0.300 . 1 . . . . 79 ILE CG2 . 11569 1 929 . 1 1 79 79 ILE CD1 C 13 15.154 0.300 . 1 . . . . 79 ILE CD1 . 11569 1 930 . 1 1 79 79 ILE N N 15 119.148 0.300 . 1 . . . . 79 ILE N . 11569 1 931 . 1 1 80 80 MET H H 1 8.213 0.030 . 1 . . . . 80 MET H . 11569 1 932 . 1 1 80 80 MET HA H 1 3.954 0.030 . 1 . . . . 80 MET HA . 11569 1 933 . 1 1 80 80 MET HB2 H 1 2.230 0.030 . 1 . . . . 80 MET HB2 . 11569 1 934 . 1 1 80 80 MET HB3 H 1 2.230 0.030 . 1 . . . . 80 MET HB3 . 11569 1 935 . 1 1 80 80 MET HG2 H 1 2.601 0.030 . 2 . . . . 80 MET HG2 . 11569 1 936 . 1 1 80 80 MET HG3 H 1 2.477 0.030 . 2 . . . . 80 MET HG3 . 11569 1 937 . 1 1 80 80 MET HE1 H 1 1.653 0.030 . 1 . . . . 80 MET HE1 . 11569 1 938 . 1 1 80 80 MET HE2 H 1 1.653 0.030 . 1 . . . . 80 MET HE2 . 11569 1 939 . 1 1 80 80 MET HE3 H 1 1.653 0.030 . 1 . . . . 80 MET HE3 . 11569 1 940 . 1 1 80 80 MET C C 13 179.341 0.300 . 1 . . . . 80 MET C . 11569 1 941 . 1 1 80 80 MET CA C 13 59.588 0.300 . 1 . . . . 80 MET CA . 11569 1 942 . 1 1 80 80 MET CB C 13 34.116 0.300 . 1 . . . . 80 MET CB . 11569 1 943 . 1 1 80 80 MET CG C 13 31.648 0.300 . 1 . . . . 80 MET CG . 11569 1 944 . 1 1 80 80 MET CE C 13 16.592 0.300 . 1 . . . . 80 MET CE . 11569 1 945 . 1 1 80 80 MET N N 15 116.661 0.300 . 1 . . . . 80 MET N . 11569 1 946 . 1 1 81 81 THR H H 1 8.577 0.030 . 1 . . . . 81 THR H . 11569 1 947 . 1 1 81 81 THR HA H 1 3.957 0.030 . 1 . . . . 81 THR HA . 11569 1 948 . 1 1 81 81 THR HB H 1 4.111 0.030 . 1 . . . . 81 THR HB . 11569 1 949 . 1 1 81 81 THR HG21 H 1 1.249 0.030 . 1 . . . . 81 THR HG21 . 11569 1 950 . 1 1 81 81 THR HG22 H 1 1.249 0.030 . 1 . . . . 81 THR HG22 . 11569 1 951 . 1 1 81 81 THR HG23 H 1 1.249 0.030 . 1 . . . . 81 THR HG23 . 11569 1 952 . 1 1 81 81 THR C C 13 176.620 0.300 . 1 . . . . 81 THR C . 11569 1 953 . 1 1 81 81 THR CA C 13 66.031 0.300 . 1 . . . . 81 THR CA . 11569 1 954 . 1 1 81 81 THR CB C 13 69.252 0.300 . 1 . . . . 81 THR CB . 11569 1 955 . 1 1 81 81 THR CG2 C 13 21.356 0.300 . 1 . . . . 81 THR CG2 . 11569 1 956 . 1 1 81 81 THR N N 15 114.986 0.300 . 1 . . . . 81 THR N . 11569 1 957 . 1 1 82 82 LYS H H 1 7.605 0.030 . 1 . . . . 82 LYS H . 11569 1 958 . 1 1 82 82 LYS HA H 1 4.021 0.030 . 1 . . . . 82 LYS HA . 11569 1 959 . 1 1 82 82 LYS HB2 H 1 1.557 0.030 . 2 . . . . 82 LYS HB2 . 11569 1 960 . 1 1 82 82 LYS HB3 H 1 1.251 0.030 . 2 . . . . 82 LYS HB3 . 11569 1 961 . 1 1 82 82 LYS HG2 H 1 0.879 0.030 . 2 . . . . 82 LYS HG2 . 11569 1 962 . 1 1 82 82 LYS HG3 H 1 0.960 0.030 . 2 . . . . 82 LYS HG3 . 11569 1 963 . 1 1 82 82 LYS HD2 H 1 1.134 0.030 . 2 . . . . 82 LYS HD2 . 11569 1 964 . 1 1 82 82 LYS HD3 H 1 1.224 0.030 . 2 . . . . 82 LYS HD3 . 11569 1 965 . 1 1 82 82 LYS HE2 H 1 2.811 0.030 . 1 . . . . 82 LYS HE2 . 11569 1 966 . 1 1 82 82 LYS HE3 H 1 2.811 0.030 . 1 . . . . 82 LYS HE3 . 11569 1 967 . 1 1 82 82 LYS C C 13 174.498 0.300 . 1 . . . . 82 LYS C . 11569 1 968 . 1 1 82 82 LYS CA C 13 56.092 0.300 . 1 . . . . 82 LYS CA . 11569 1 969 . 1 1 82 82 LYS CB C 13 31.391 0.300 . 1 . . . . 82 LYS CB . 11569 1 970 . 1 1 82 82 LYS CG C 13 24.964 0.300 . 1 . . . . 82 LYS CG . 11569 1 971 . 1 1 82 82 LYS CD C 13 28.451 0.300 . 1 . . . . 82 LYS CD . 11569 1 972 . 1 1 82 82 LYS CE C 13 42.073 0.300 . 1 . . . . 82 LYS CE . 11569 1 973 . 1 1 82 82 LYS N N 15 118.592 0.300 . 1 . . . . 82 LYS N . 11569 1 974 . 1 1 83 83 ARG H H 1 7.545 0.030 . 1 . . . . 83 ARG H . 11569 1 975 . 1 1 83 83 ARG HA H 1 3.304 0.030 . 1 . . . . 83 ARG HA . 11569 1 976 . 1 1 83 83 ARG HB2 H 1 1.740 0.030 . 1 . . . . 83 ARG HB2 . 11569 1 977 . 1 1 83 83 ARG HB3 H 1 1.740 0.030 . 1 . . . . 83 ARG HB3 . 11569 1 978 . 1 1 83 83 ARG HG2 H 1 1.445 0.030 . 1 . . . . 83 ARG HG2 . 11569 1 979 . 1 1 83 83 ARG HG3 H 1 1.445 0.030 . 1 . . . . 83 ARG HG3 . 11569 1 980 . 1 1 83 83 ARG HD2 H 1 3.091 0.030 . 2 . . . . 83 ARG HD2 . 11569 1 981 . 1 1 83 83 ARG HD3 H 1 3.171 0.030 . 2 . . . . 83 ARG HD3 . 11569 1 982 . 1 1 83 83 ARG C C 13 175.339 0.300 . 1 . . . . 83 ARG C . 11569 1 983 . 1 1 83 83 ARG CA C 13 56.617 0.300 . 1 . . . . 83 ARG CA . 11569 1 984 . 1 1 83 83 ARG CB C 13 26.489 0.300 . 1 . . . . 83 ARG CB . 11569 1 985 . 1 1 83 83 ARG CG C 13 27.575 0.300 . 1 . . . . 83 ARG CG . 11569 1 986 . 1 1 83 83 ARG CD C 13 43.312 0.300 . 1 . . . . 83 ARG CD . 11569 1 987 . 1 1 83 83 ARG N N 15 116.742 0.300 . 1 . . . . 83 ARG N . 11569 1 988 . 1 1 84 84 LEU H H 1 7.451 0.030 . 1 . . . . 84 LEU H . 11569 1 989 . 1 1 84 84 LEU HA H 1 4.298 0.030 . 1 . . . . 84 LEU HA . 11569 1 990 . 1 1 84 84 LEU HB2 H 1 1.268 0.030 . 2 . . . . 84 LEU HB2 . 11569 1 991 . 1 1 84 84 LEU HB3 H 1 2.131 0.030 . 2 . . . . 84 LEU HB3 . 11569 1 992 . 1 1 84 84 LEU HG H 1 1.304 0.030 . 1 . . . . 84 LEU HG . 11569 1 993 . 1 1 84 84 LEU HD11 H 1 0.797 0.030 . 2 . . . . 84 LEU HD11 . 11569 1 994 . 1 1 84 84 LEU HD12 H 1 0.797 0.030 . 2 . . . . 84 LEU HD12 . 11569 1 995 . 1 1 84 84 LEU HD13 H 1 0.797 0.030 . 2 . . . . 84 LEU HD13 . 11569 1 996 . 1 1 84 84 LEU HD21 H 1 0.742 0.030 . 2 . . . . 84 LEU HD21 . 11569 1 997 . 1 1 84 84 LEU HD22 H 1 0.742 0.030 . 2 . . . . 84 LEU HD22 . 11569 1 998 . 1 1 84 84 LEU HD23 H 1 0.742 0.030 . 2 . . . . 84 LEU HD23 . 11569 1 999 . 1 1 84 84 LEU C C 13 175.445 0.300 . 1 . . . . 84 LEU C . 11569 1 1000 . 1 1 84 84 LEU CA C 13 54.884 0.300 . 1 . . . . 84 LEU CA . 11569 1 1001 . 1 1 84 84 LEU CB C 13 41.684 0.300 . 1 . . . . 84 LEU CB . 11569 1 1002 . 1 1 84 84 LEU CG C 13 26.632 0.300 . 1 . . . . 84 LEU CG . 11569 1 1003 . 1 1 84 84 LEU CD1 C 13 26.737 0.300 . 2 . . . . 84 LEU CD1 . 11569 1 1004 . 1 1 84 84 LEU CD2 C 13 21.573 0.300 . 2 . . . . 84 LEU CD2 . 11569 1 1005 . 1 1 84 84 LEU N N 15 114.718 0.300 . 1 . . . . 84 LEU N . 11569 1 1006 . 1 1 85 85 TYR H H 1 6.188 0.030 . 1 . . . . 85 TYR H . 11569 1 1007 . 1 1 85 85 TYR HA H 1 5.258 0.030 . 1 . . . . 85 TYR HA . 11569 1 1008 . 1 1 85 85 TYR HB2 H 1 2.030 0.030 . 2 . . . . 85 TYR HB2 . 11569 1 1009 . 1 1 85 85 TYR HB3 H 1 3.078 0.030 . 2 . . . . 85 TYR HB3 . 11569 1 1010 . 1 1 85 85 TYR HD1 H 1 6.393 0.030 . 1 . . . . 85 TYR HD1 . 11569 1 1011 . 1 1 85 85 TYR HD2 H 1 6.393 0.030 . 1 . . . . 85 TYR HD2 . 11569 1 1012 . 1 1 85 85 TYR HE1 H 1 6.824 0.030 . 1 . . . . 85 TYR HE1 . 11569 1 1013 . 1 1 85 85 TYR HE2 H 1 6.824 0.030 . 1 . . . . 85 TYR HE2 . 11569 1 1014 . 1 1 85 85 TYR C C 13 174.974 0.300 . 1 . . . . 85 TYR C . 11569 1 1015 . 1 1 85 85 TYR CA C 13 53.300 0.300 . 1 . . . . 85 TYR CA . 11569 1 1016 . 1 1 85 85 TYR CB C 13 39.674 0.300 . 1 . . . . 85 TYR CB . 11569 1 1017 . 1 1 85 85 TYR CD1 C 13 133.216 0.300 . 1 . . . . 85 TYR CD1 . 11569 1 1018 . 1 1 85 85 TYR CD2 C 13 133.216 0.300 . 1 . . . . 85 TYR CD2 . 11569 1 1019 . 1 1 85 85 TYR CE1 C 13 117.615 0.300 . 1 . . . . 85 TYR CE1 . 11569 1 1020 . 1 1 85 85 TYR CE2 C 13 117.615 0.300 . 1 . . . . 85 TYR CE2 . 11569 1 1021 . 1 1 85 85 TYR N N 15 112.460 0.300 . 1 . . . . 85 TYR N . 11569 1 1022 . 1 1 86 86 ASP H H 1 8.636 0.030 . 1 . . . A 86 ASP H . 11569 1 1023 . 1 1 86 86 ASP HA H 1 4.434 0.030 . 1 . . . A 86 ASP HA . 11569 1 1024 . 1 1 86 86 ASP HB2 H 1 2.311 0.030 . 2 . . . A 86 ASP HB2 . 11569 1 1025 . 1 1 86 86 ASP HB3 H 1 3.348 0.030 . 2 . . . A 86 ASP HB3 . 11569 1 1026 . 1 1 86 86 ASP C C 13 176.429 0.300 . 1 . . . A 86 ASP C . 11569 1 1027 . 1 1 86 86 ASP CA C 13 54.371 0.300 . 1 . . . A 86 ASP CA . 11569 1 1028 . 1 1 86 86 ASP CB C 13 43.066 0.300 . 1 . . . A 86 ASP CB . 11569 1 1029 . 1 1 86 86 ASP N N 15 123.551 0.300 . 1 . . . A 86 ASP N . 11569 1 1030 . 1 1 87 87 GLU H H 1 8.661 0.030 . 1 . . . . 87 GLU H . 11569 1 1031 . 1 1 87 87 GLU HA H 1 4.075 0.030 . 1 . . . . 87 GLU HA . 11569 1 1032 . 1 1 87 87 GLU HB2 H 1 2.012 0.030 . 2 . . . . 87 GLU HB2 . 11569 1 1033 . 1 1 87 87 GLU HB3 H 1 2.139 0.030 . 2 . . . . 87 GLU HB3 . 11569 1 1034 . 1 1 87 87 GLU HG2 H 1 2.340 0.030 . 1 . . . . 87 GLU HG2 . 11569 1 1035 . 1 1 87 87 GLU HG3 H 1 2.340 0.030 . 1 . . . . 87 GLU HG3 . 11569 1 1036 . 1 1 87 87 GLU C C 13 177.636 0.300 . 1 . . . . 87 GLU C . 11569 1 1037 . 1 1 87 87 GLU CA C 13 59.469 0.300 . 1 . . . . 87 GLU CA . 11569 1 1038 . 1 1 87 87 GLU CB C 13 30.208 0.300 . 1 . . . . 87 GLU CB . 11569 1 1039 . 1 1 87 87 GLU CG C 13 36.153 0.300 . 1 . . . . 87 GLU CG . 11569 1 1040 . 1 1 87 87 GLU N N 15 124.474 0.300 . 1 . . . . 87 GLU N . 11569 1 1041 . 1 1 88 88 LYS H H 1 8.189 0.030 . 1 . . . . 88 LYS H . 11569 1 1042 . 1 1 88 88 LYS HA H 1 4.493 0.030 . 1 . . . . 88 LYS HA . 11569 1 1043 . 1 1 88 88 LYS HB2 H 1 1.954 0.030 . 1 . . . . 88 LYS HB2 . 11569 1 1044 . 1 1 88 88 LYS HB3 H 1 1.954 0.030 . 1 . . . . 88 LYS HB3 . 11569 1 1045 . 1 1 88 88 LYS HG2 H 1 1.472 0.030 . 2 . . . . 88 LYS HG2 . 11569 1 1046 . 1 1 88 88 LYS HG3 H 1 1.569 0.030 . 2 . . . . 88 LYS HG3 . 11569 1 1047 . 1 1 88 88 LYS HD2 H 1 1.747 0.030 . 1 . . . . 88 LYS HD2 . 11569 1 1048 . 1 1 88 88 LYS HD3 H 1 1.747 0.030 . 1 . . . . 88 LYS HD3 . 11569 1 1049 . 1 1 88 88 LYS HE2 H 1 3.046 0.030 . 1 . . . . 88 LYS HE2 . 11569 1 1050 . 1 1 88 88 LYS HE3 H 1 3.046 0.030 . 1 . . . . 88 LYS HE3 . 11569 1 1051 . 1 1 88 88 LYS C C 13 177.294 0.300 . 1 . . . . 88 LYS C . 11569 1 1052 . 1 1 88 88 LYS CA C 13 57.352 0.300 . 1 . . . . 88 LYS CA . 11569 1 1053 . 1 1 88 88 LYS CB C 13 33.467 0.300 . 1 . . . . 88 LYS CB . 11569 1 1054 . 1 1 88 88 LYS CG C 13 25.409 0.300 . 1 . . . . 88 LYS CG . 11569 1 1055 . 1 1 88 88 LYS CD C 13 28.921 0.300 . 1 . . . . 88 LYS CD . 11569 1 1056 . 1 1 88 88 LYS CE C 13 42.131 0.300 . 1 . . . . 88 LYS CE . 11569 1 1057 . 1 1 88 88 LYS N N 15 116.390 0.300 . 1 . . . . 88 LYS N . 11569 1 1058 . 1 1 89 89 GLN H H 1 8.577 0.030 . 1 . . . . 89 GLN H . 11569 1 1059 . 1 1 89 89 GLN HA H 1 4.740 0.030 . 1 . . . . 89 GLN HA . 11569 1 1060 . 1 1 89 89 GLN HB2 H 1 1.749 0.030 . 2 . . . . 89 GLN HB2 . 11569 1 1061 . 1 1 89 89 GLN HB3 H 1 1.851 0.030 . 2 . . . . 89 GLN HB3 . 11569 1 1062 . 1 1 89 89 GLN HG2 H 1 2.214 0.030 . 2 . . . . 89 GLN HG2 . 11569 1 1063 . 1 1 89 89 GLN HG3 H 1 2.313 0.030 . 2 . . . . 89 GLN HG3 . 11569 1 1064 . 1 1 89 89 GLN C C 13 175.813 0.300 . 1 . . . . 89 GLN C . 11569 1 1065 . 1 1 89 89 GLN CA C 13 54.082 0.300 . 1 . . . . 89 GLN CA . 11569 1 1066 . 1 1 89 89 GLN CB C 13 29.143 0.300 . 1 . . . . 89 GLN CB . 11569 1 1067 . 1 1 89 89 GLN CG C 13 33.602 0.300 . 1 . . . . 89 GLN CG . 11569 1 1068 . 1 1 89 89 GLN N N 15 121.764 0.300 . 1 . . . . 89 GLN N . 11569 1 1069 . 1 1 90 90 GLN H H 1 8.451 0.030 . 1 . . . . 90 GLN H . 11569 1 1070 . 1 1 90 90 GLN HA H 1 4.745 0.030 . 1 . . . . 90 GLN HA . 11569 1 1071 . 1 1 90 90 GLN HB2 H 1 1.860 0.030 . 1 . . . . 90 GLN HB2 . 11569 1 1072 . 1 1 90 90 GLN HB3 H 1 1.860 0.030 . 1 . . . . 90 GLN HB3 . 11569 1 1073 . 1 1 90 90 GLN HG2 H 1 3.362 0.030 . 2 . . . . 90 GLN HG2 . 11569 1 1074 . 1 1 90 90 GLN HG3 H 1 2.791 0.030 . 2 . . . . 90 GLN HG3 . 11569 1 1075 . 1 1 90 90 GLN HE21 H 1 6.810 0.030 . 2 . . . . 90 GLN HE21 . 11569 1 1076 . 1 1 90 90 GLN C C 13 172.686 0.300 . 1 . . . . 90 GLN C . 11569 1 1077 . 1 1 90 90 GLN CA C 13 59.721 0.300 . 1 . . . . 90 GLN CA . 11569 1 1078 . 1 1 90 90 GLN CB C 13 26.482 0.300 . 1 . . . . 90 GLN CB . 11569 1 1079 . 1 1 90 90 GLN CG C 13 33.202 0.300 . 1 . . . . 90 GLN CG . 11569 1 1080 . 1 1 90 90 GLN N N 15 118.174 0.300 . 1 . . . . 90 GLN N . 11569 1 1081 . 1 1 91 91 HIS H H 1 6.818 0.030 . 1 . . . . 91 HIS H . 11569 1 1082 . 1 1 91 91 HIS HA H 1 4.278 0.030 . 1 . . . . 91 HIS HA . 11569 1 1083 . 1 1 91 91 HIS HB2 H 1 2.579 0.030 . 1 . . . . 91 HIS HB2 . 11569 1 1084 . 1 1 91 91 HIS HB3 H 1 2.579 0.030 . 1 . . . . 91 HIS HB3 . 11569 1 1085 . 1 1 91 91 HIS HE1 H 1 7.765 0.030 . 1 . . . . 91 HIS HE1 . 11569 1 1086 . 1 1 91 91 HIS C C 13 173.828 0.300 . 1 . . . . 91 HIS C . 11569 1 1087 . 1 1 91 91 HIS CA C 13 54.418 0.300 . 1 . . . . 91 HIS CA . 11569 1 1088 . 1 1 91 91 HIS CB C 13 29.623 0.300 . 1 . . . . 91 HIS CB . 11569 1 1089 . 1 1 91 91 HIS CE1 C 13 139.696 0.300 . 1 . . . . 91 HIS CE1 . 11569 1 1090 . 1 1 91 91 HIS N N 15 108.589 0.300 . 1 . . . . 91 HIS N . 11569 1 1091 . 1 1 92 92 ILE H H 1 7.814 0.030 . 1 . . . . 92 ILE H . 11569 1 1092 . 1 1 92 92 ILE HA H 1 4.014 0.030 . 1 . . . . 92 ILE HA . 11569 1 1093 . 1 1 92 92 ILE HB H 1 1.649 0.030 . 1 . . . . 92 ILE HB . 11569 1 1094 . 1 1 92 92 ILE HG12 H 1 0.342 0.030 . 2 . . . . 92 ILE HG12 . 11569 1 1095 . 1 1 92 92 ILE HG13 H 1 0.606 0.030 . 2 . . . . 92 ILE HG13 . 11569 1 1096 . 1 1 92 92 ILE HG21 H 1 0.119 0.030 . 1 . . . . 92 ILE HG21 . 11569 1 1097 . 1 1 92 92 ILE HG22 H 1 0.119 0.030 . 1 . . . . 92 ILE HG22 . 11569 1 1098 . 1 1 92 92 ILE HG23 H 1 0.119 0.030 . 1 . . . . 92 ILE HG23 . 11569 1 1099 . 1 1 92 92 ILE HD11 H 1 0.579 0.030 . 1 . . . . 92 ILE HD11 . 11569 1 1100 . 1 1 92 92 ILE HD12 H 1 0.579 0.030 . 1 . . . . 92 ILE HD12 . 11569 1 1101 . 1 1 92 92 ILE HD13 H 1 0.579 0.030 . 1 . . . . 92 ILE HD13 . 11569 1 1102 . 1 1 92 92 ILE C C 13 173.755 0.300 . 1 . . . . 92 ILE C . 11569 1 1103 . 1 1 92 92 ILE CA C 13 60.544 0.300 . 1 . . . . 92 ILE CA . 11569 1 1104 . 1 1 92 92 ILE CB C 13 36.978 0.300 . 1 . . . . 92 ILE CB . 11569 1 1105 . 1 1 92 92 ILE CG1 C 13 26.341 0.300 . 1 . . . . 92 ILE CG1 . 11569 1 1106 . 1 1 92 92 ILE CG2 C 13 16.046 0.300 . 1 . . . . 92 ILE CG2 . 11569 1 1107 . 1 1 92 92 ILE CD1 C 13 11.877 0.300 . 1 . . . . 92 ILE CD1 . 11569 1 1108 . 1 1 92 92 ILE N N 15 124.322 0.300 . 1 . . . . 92 ILE N . 11569 1 1109 . 1 1 93 93 VAL H H 1 8.362 0.030 . 1 . . . . 93 VAL H . 11569 1 1110 . 1 1 93 93 VAL HA H 1 3.733 0.030 . 1 . . . . 93 VAL HA . 11569 1 1111 . 1 1 93 93 VAL HB H 1 0.320 0.030 . 1 . . . . 93 VAL HB . 11569 1 1112 . 1 1 93 93 VAL HG11 H 1 0.575 0.030 . 2 . . . . 93 VAL HG11 . 11569 1 1113 . 1 1 93 93 VAL HG12 H 1 0.575 0.030 . 2 . . . . 93 VAL HG12 . 11569 1 1114 . 1 1 93 93 VAL HG13 H 1 0.575 0.030 . 2 . . . . 93 VAL HG13 . 11569 1 1115 . 1 1 93 93 VAL HG21 H 1 0.255 0.030 . 2 . . . . 93 VAL HG21 . 11569 1 1116 . 1 1 93 93 VAL HG22 H 1 0.255 0.030 . 2 . . . . 93 VAL HG22 . 11569 1 1117 . 1 1 93 93 VAL HG23 H 1 0.255 0.030 . 2 . . . . 93 VAL HG23 . 11569 1 1118 . 1 1 93 93 VAL C C 13 174.464 0.300 . 1 . . . . 93 VAL C . 11569 1 1119 . 1 1 93 93 VAL CA C 13 60.884 0.300 . 1 . . . . 93 VAL CA . 11569 1 1120 . 1 1 93 93 VAL CB C 13 32.913 0.300 . 1 . . . . 93 VAL CB . 11569 1 1121 . 1 1 93 93 VAL CG1 C 13 22.273 0.300 . 2 . . . . 93 VAL CG1 . 11569 1 1122 . 1 1 93 93 VAL CG2 C 13 21.813 0.300 . 2 . . . . 93 VAL CG2 . 11569 1 1123 . 1 1 93 93 VAL N N 15 126.063 0.300 . 1 . . . . 93 VAL N . 11569 1 1124 . 1 1 94 94 TYR H H 1 8.236 0.030 . 1 . . . . 94 TYR H . 11569 1 1125 . 1 1 94 94 TYR HA H 1 4.655 0.030 . 1 . . . . 94 TYR HA . 11569 1 1126 . 1 1 94 94 TYR HB2 H 1 2.839 0.030 . 2 . . . . 94 TYR HB2 . 11569 1 1127 . 1 1 94 94 TYR HB3 H 1 3.135 0.030 . 2 . . . . 94 TYR HB3 . 11569 1 1128 . 1 1 94 94 TYR HD1 H 1 7.045 0.030 . 1 . . . . 94 TYR HD1 . 11569 1 1129 . 1 1 94 94 TYR HD2 H 1 7.045 0.030 . 1 . . . . 94 TYR HD2 . 11569 1 1130 . 1 1 94 94 TYR HE1 H 1 6.722 0.030 . 1 . . . . 94 TYR HE1 . 11569 1 1131 . 1 1 94 94 TYR HE2 H 1 6.722 0.030 . 1 . . . . 94 TYR HE2 . 11569 1 1132 . 1 1 94 94 TYR C C 13 175.599 0.300 . 1 . . . . 94 TYR C . 11569 1 1133 . 1 1 94 94 TYR CA C 13 57.556 0.300 . 1 . . . . 94 TYR CA . 11569 1 1134 . 1 1 94 94 TYR CB C 13 38.752 0.300 . 1 . . . . 94 TYR CB . 11569 1 1135 . 1 1 94 94 TYR CD1 C 13 132.748 0.300 . 1 . . . . 94 TYR CD1 . 11569 1 1136 . 1 1 94 94 TYR CD2 C 13 132.748 0.300 . 1 . . . . 94 TYR CD2 . 11569 1 1137 . 1 1 94 94 TYR CE1 C 13 117.800 0.300 . 1 . . . . 94 TYR CE1 . 11569 1 1138 . 1 1 94 94 TYR CE2 C 13 117.800 0.300 . 1 . . . . 94 TYR CE2 . 11569 1 1139 . 1 1 94 94 TYR N N 15 125.089 0.300 . 1 . . . . 94 TYR N . 11569 1 1140 . 1 1 95 95 CYS H H 1 8.384 0.030 . 1 . . . . 95 CYS H . 11569 1 1141 . 1 1 95 95 CYS HA H 1 4.662 0.030 . 1 . . . . 95 CYS HA . 11569 1 1142 . 1 1 95 95 CYS HB2 H 1 2.401 0.030 . 2 . . . . 95 CYS HB2 . 11569 1 1143 . 1 1 95 95 CYS HB3 H 1 3.356 0.030 . 2 . . . . 95 CYS HB3 . 11569 1 1144 . 1 1 95 95 CYS HG H 1 2.461 0.030 . 1 . . . . 95 CYS HG . 11569 1 1145 . 1 1 95 95 CYS C C 13 174.241 0.300 . 1 . . . . 95 CYS C . 11569 1 1146 . 1 1 95 95 CYS CA C 13 56.717 0.300 . 1 . . . . 95 CYS CA . 11569 1 1147 . 1 1 95 95 CYS CB C 13 28.606 0.300 . 1 . . . . 95 CYS CB . 11569 1 1148 . 1 1 95 95 CYS N N 15 117.578 0.300 . 1 . . . . 95 CYS N . 11569 1 1149 . 1 1 96 96 SER H H 1 7.714 0.030 . 1 . . . A 96 SER H . 11569 1 1150 . 1 1 96 96 SER HA H 1 4.312 0.030 . 1 . . . A 96 SER HA . 11569 1 1151 . 1 1 96 96 SER HB2 H 1 3.916 0.030 . 1 . . . A 96 SER HB2 . 11569 1 1152 . 1 1 96 96 SER HB3 H 1 3.916 0.030 . 1 . . . A 96 SER HB3 . 11569 1 1153 . 1 1 96 96 SER C C 13 174.470 0.300 . 1 . . . A 96 SER C . 11569 1 1154 . 1 1 96 96 SER CA C 13 59.892 0.300 . 1 . . . A 96 SER CA . 11569 1 1155 . 1 1 96 96 SER CB C 13 63.251 0.300 . 1 . . . A 96 SER CB . 11569 1 1156 . 1 1 96 96 SER N N 15 114.328 0.300 . 1 . . . A 96 SER N . 11569 1 1157 . 1 1 97 97 ASN HA H 1 4.588 0.030 . 1 . . . . 97 ASN HA . 11569 1 1158 . 1 1 97 97 ASN HB2 H 1 2.685 0.030 . 2 . . . . 97 ASN HB2 . 11569 1 1159 . 1 1 97 97 ASN CA C 13 54.474 0.300 . 1 . . . . 97 ASN CA . 11569 1 1160 . 1 1 97 97 ASN CB C 13 41.144 0.300 . 1 . . . . 97 ASN CB . 11569 1 1161 . 1 1 98 98 ASP HA H 1 4.650 0.030 . 1 . . . . 98 ASP HA . 11569 1 1162 . 1 1 98 98 ASP HB2 H 1 2.940 0.030 . 2 . . . . 98 ASP HB2 . 11569 1 1163 . 1 1 98 98 ASP HB3 H 1 2.843 0.030 . 2 . . . . 98 ASP HB3 . 11569 1 1164 . 1 1 98 98 ASP CA C 13 53.386 0.300 . 1 . . . . 98 ASP CA . 11569 1 1165 . 1 1 98 98 ASP CB C 13 38.274 0.300 . 1 . . . . 98 ASP CB . 11569 1 1166 . 1 1 99 99 LEU HA H 1 4.261 0.030 . 1 . . . . 99 LEU HA . 11569 1 1167 . 1 1 99 99 LEU HB2 H 1 1.598 0.030 . 2 . . . . 99 LEU HB2 . 11569 1 1168 . 1 1 99 99 LEU HB3 H 1 1.724 0.030 . 2 . . . . 99 LEU HB3 . 11569 1 1169 . 1 1 99 99 LEU HG H 1 1.603 0.030 . 1 . . . . 99 LEU HG . 11569 1 1170 . 1 1 99 99 LEU HD11 H 1 0.941 0.030 . 2 . . . . 99 LEU HD11 . 11569 1 1171 . 1 1 99 99 LEU HD12 H 1 0.941 0.030 . 2 . . . . 99 LEU HD12 . 11569 1 1172 . 1 1 99 99 LEU HD13 H 1 0.941 0.030 . 2 . . . . 99 LEU HD13 . 11569 1 1173 . 1 1 99 99 LEU HD21 H 1 0.841 0.030 . 2 . . . . 99 LEU HD21 . 11569 1 1174 . 1 1 99 99 LEU HD22 H 1 0.841 0.030 . 2 . . . . 99 LEU HD22 . 11569 1 1175 . 1 1 99 99 LEU HD23 H 1 0.841 0.030 . 2 . . . . 99 LEU HD23 . 11569 1 1176 . 1 1 99 99 LEU C C 13 178.418 0.300 . 1 . . . . 99 LEU C . 11569 1 1177 . 1 1 99 99 LEU CA C 13 58.244 0.300 . 1 . . . . 99 LEU CA . 11569 1 1178 . 1 1 99 99 LEU CB C 13 42.504 0.300 . 1 . . . . 99 LEU CB . 11569 1 1179 . 1 1 99 99 LEU CG C 13 27.310 0.300 . 1 . . . . 99 LEU CG . 11569 1 1180 . 1 1 99 99 LEU CD1 C 13 24.410 0.300 . 2 . . . . 99 LEU CD1 . 11569 1 1181 . 1 1 99 99 LEU CD2 C 13 24.775 0.300 . 2 . . . . 99 LEU CD2 . 11569 1 1182 . 1 1 100 100 LEU H H 1 9.836 0.030 . 1 . . . . 100 LEU H . 11569 1 1183 . 1 1 100 100 LEU HA H 1 3.934 0.030 . 1 . . . . 100 LEU HA . 11569 1 1184 . 1 1 100 100 LEU HB2 H 1 1.721 0.030 . 1 . . . . 100 LEU HB2 . 11569 1 1185 . 1 1 100 100 LEU HB3 H 1 1.721 0.030 . 1 . . . . 100 LEU HB3 . 11569 1 1186 . 1 1 100 100 LEU HG H 1 1.564 0.030 . 1 . . . . 100 LEU HG . 11569 1 1187 . 1 1 100 100 LEU HD11 H 1 0.852 0.030 . 2 . . . . 100 LEU HD11 . 11569 1 1188 . 1 1 100 100 LEU HD12 H 1 0.852 0.030 . 2 . . . . 100 LEU HD12 . 11569 1 1189 . 1 1 100 100 LEU HD13 H 1 0.852 0.030 . 2 . . . . 100 LEU HD13 . 11569 1 1190 . 1 1 100 100 LEU HD21 H 1 0.756 0.030 . 2 . . . . 100 LEU HD21 . 11569 1 1191 . 1 1 100 100 LEU HD22 H 1 0.756 0.030 . 2 . . . . 100 LEU HD22 . 11569 1 1192 . 1 1 100 100 LEU HD23 H 1 0.756 0.030 . 2 . . . . 100 LEU HD23 . 11569 1 1193 . 1 1 100 100 LEU C C 13 178.957 0.300 . 1 . . . . 100 LEU C . 11569 1 1194 . 1 1 100 100 LEU CA C 13 58.278 0.300 . 1 . . . . 100 LEU CA . 11569 1 1195 . 1 1 100 100 LEU CB C 13 42.806 0.300 . 1 . . . . 100 LEU CB . 11569 1 1196 . 1 1 100 100 LEU CD1 C 13 26.374 0.300 . 2 . . . . 100 LEU CD1 . 11569 1 1197 . 1 1 100 100 LEU CD2 C 13 25.144 0.300 . 2 . . . . 100 LEU CD2 . 11569 1 1198 . 1 1 100 100 LEU N N 15 118.297 0.300 . 1 . . . . 100 LEU N . 11569 1 1199 . 1 1 101 101 GLY H H 1 8.075 0.030 . 1 . . . . 101 GLY H . 11569 1 1200 . 1 1 101 101 GLY HA2 H 1 4.054 0.030 . 2 . . . . 101 GLY HA2 . 11569 1 1201 . 1 1 101 101 GLY HA3 H 1 4.115 0.030 . 2 . . . . 101 GLY HA3 . 11569 1 1202 . 1 1 101 101 GLY C C 13 176.957 0.300 . 1 . . . . 101 GLY C . 11569 1 1203 . 1 1 101 101 GLY CA C 13 47.788 0.300 . 1 . . . . 101 GLY CA . 11569 1 1204 . 1 1 101 101 GLY N N 15 107.176 0.300 . 1 . . . . 101 GLY N . 11569 1 1205 . 1 1 102 102 ASP H H 1 7.630 0.030 . 1 . . . . 102 ASP H . 11569 1 1206 . 1 1 102 102 ASP HA H 1 4.455 0.030 . 1 . . . . 102 ASP HA . 11569 1 1207 . 1 1 102 102 ASP HB2 H 1 2.629 0.030 . 2 . . . . 102 ASP HB2 . 11569 1 1208 . 1 1 102 102 ASP HB3 H 1 2.895 0.030 . 2 . . . . 102 ASP HB3 . 11569 1 1209 . 1 1 102 102 ASP C C 13 178.125 0.300 . 1 . . . . 102 ASP C . 11569 1 1210 . 1 1 102 102 ASP CA C 13 56.751 0.300 . 1 . . . . 102 ASP CA . 11569 1 1211 . 1 1 102 102 ASP CB C 13 40.469 0.300 . 1 . . . . 102 ASP CB . 11569 1 1212 . 1 1 102 102 ASP N N 15 122.873 0.300 . 1 . . . . 102 ASP N . 11569 1 1213 . 1 1 103 103 LEU H H 1 7.833 0.030 . 1 . . . . 103 LEU H . 11569 1 1214 . 1 1 103 103 LEU HA H 1 4.063 0.030 . 1 . . . . 103 LEU HA . 11569 1 1215 . 1 1 103 103 LEU HB2 H 1 1.568 0.030 . 1 . . . . 103 LEU HB2 . 11569 1 1216 . 1 1 103 103 LEU HB3 H 1 1.568 0.030 . 1 . . . . 103 LEU HB3 . 11569 1 1217 . 1 1 103 103 LEU HG H 1 1.459 0.030 . 1 . . . . 103 LEU HG . 11569 1 1218 . 1 1 103 103 LEU HD11 H 1 0.717 0.030 . 2 . . . . 103 LEU HD11 . 11569 1 1219 . 1 1 103 103 LEU HD12 H 1 0.717 0.030 . 2 . . . . 103 LEU HD12 . 11569 1 1220 . 1 1 103 103 LEU HD13 H 1 0.717 0.030 . 2 . . . . 103 LEU HD13 . 11569 1 1221 . 1 1 103 103 LEU HD21 H 1 0.700 0.030 . 2 . . . . 103 LEU HD21 . 11569 1 1222 . 1 1 103 103 LEU HD22 H 1 0.700 0.030 . 2 . . . . 103 LEU HD22 . 11569 1 1223 . 1 1 103 103 LEU HD23 H 1 0.700 0.030 . 2 . . . . 103 LEU HD23 . 11569 1 1224 . 1 1 103 103 LEU C C 13 177.661 0.300 . 1 . . . . 103 LEU C . 11569 1 1225 . 1 1 103 103 LEU CA C 13 57.336 0.300 . 1 . . . . 103 LEU CA . 11569 1 1226 . 1 1 103 103 LEU CB C 13 42.521 0.300 . 1 . . . . 103 LEU CB . 11569 1 1227 . 1 1 103 103 LEU CG C 13 26.962 0.300 . 1 . . . . 103 LEU CG . 11569 1 1228 . 1 1 103 103 LEU CD1 C 13 25.558 0.300 . 2 . . . . 103 LEU CD1 . 11569 1 1229 . 1 1 103 103 LEU CD2 C 13 25.219 0.300 . 2 . . . . 103 LEU CD2 . 11569 1 1230 . 1 1 103 103 LEU N N 15 119.414 0.300 . 1 . . . . 103 LEU N . 11569 1 1231 . 1 1 104 104 PHE H H 1 8.384 0.030 . 1 . . . . 104 PHE H . 11569 1 1232 . 1 1 104 104 PHE HA H 1 4.419 0.030 . 1 . . . . 104 PHE HA . 11569 1 1233 . 1 1 104 104 PHE HB2 H 1 3.095 0.030 . 2 . . . . 104 PHE HB2 . 11569 1 1234 . 1 1 104 104 PHE HB3 H 1 3.229 0.030 . 2 . . . . 104 PHE HB3 . 11569 1 1235 . 1 1 104 104 PHE HD1 H 1 7.101 0.030 . 1 . . . . 104 PHE HD1 . 11569 1 1236 . 1 1 104 104 PHE HD2 H 1 7.101 0.030 . 1 . . . . 104 PHE HD2 . 11569 1 1237 . 1 1 104 104 PHE HE1 H 1 6.803 0.030 . 1 . . . . 104 PHE HE1 . 11569 1 1238 . 1 1 104 104 PHE HE2 H 1 6.803 0.030 . 1 . . . . 104 PHE HE2 . 11569 1 1239 . 1 1 104 104 PHE HZ H 1 6.905 0.030 . 1 . . . . 104 PHE HZ . 11569 1 1240 . 1 1 104 104 PHE C C 13 177.181 0.300 . 1 . . . . 104 PHE C . 11569 1 1241 . 1 1 104 104 PHE CA C 13 58.814 0.300 . 1 . . . . 104 PHE CA . 11569 1 1242 . 1 1 104 104 PHE CB C 13 40.050 0.300 . 1 . . . . 104 PHE CB . 11569 1 1243 . 1 1 104 104 PHE CD1 C 13 130.749 0.300 . 1 . . . . 104 PHE CD1 . 11569 1 1244 . 1 1 104 104 PHE CD2 C 13 130.749 0.300 . 1 . . . . 104 PHE CD2 . 11569 1 1245 . 1 1 104 104 PHE CE1 C 13 130.494 0.300 . 1 . . . . 104 PHE CE1 . 11569 1 1246 . 1 1 104 104 PHE CE2 C 13 130.494 0.300 . 1 . . . . 104 PHE CE2 . 11569 1 1247 . 1 1 104 104 PHE CZ C 13 128.428 0.300 . 1 . . . . 104 PHE CZ . 11569 1 1248 . 1 1 104 104 PHE N N 15 114.134 0.300 . 1 . . . . 104 PHE N . 11569 1 1249 . 1 1 105 105 GLY H H 1 8.216 0.030 . 1 . . . . 105 GLY H . 11569 1 1250 . 1 1 105 105 GLY HA2 H 1 3.985 0.030 . 1 . . . . 105 GLY HA2 . 11569 1 1251 . 1 1 105 105 GLY HA3 H 1 3.985 0.030 . 1 . . . . 105 GLY HA3 . 11569 1 1252 . 1 1 105 105 GLY C C 13 173.892 0.300 . 1 . . . . 105 GLY C . 11569 1 1253 . 1 1 105 105 GLY CA C 13 46.647 0.300 . 1 . . . . 105 GLY CA . 11569 1 1254 . 1 1 105 105 GLY N N 15 107.145 0.300 . 1 . . . . 105 GLY N . 11569 1 1255 . 1 1 106 106 VAL H H 1 7.075 0.030 . 1 . . . . 106 VAL H . 11569 1 1256 . 1 1 106 106 VAL HA H 1 4.992 0.030 . 1 . . . . 106 VAL HA . 11569 1 1257 . 1 1 106 106 VAL HB H 1 2.413 0.030 . 1 . . . . 106 VAL HB . 11569 1 1258 . 1 1 106 106 VAL HG11 H 1 1.072 0.030 . 2 . . . . 106 VAL HG11 . 11569 1 1259 . 1 1 106 106 VAL HG12 H 1 1.072 0.030 . 2 . . . . 106 VAL HG12 . 11569 1 1260 . 1 1 106 106 VAL HG13 H 1 1.072 0.030 . 2 . . . . 106 VAL HG13 . 11569 1 1261 . 1 1 106 106 VAL HG21 H 1 0.815 0.030 . 2 . . . . 106 VAL HG21 . 11569 1 1262 . 1 1 106 106 VAL HG22 H 1 0.815 0.030 . 2 . . . . 106 VAL HG22 . 11569 1 1263 . 1 1 106 106 VAL HG23 H 1 0.815 0.030 . 2 . . . . 106 VAL HG23 . 11569 1 1264 . 1 1 106 106 VAL C C 13 174.604 0.300 . 1 . . . . 106 VAL C . 11569 1 1265 . 1 1 106 106 VAL CA C 13 57.170 0.300 . 1 . . . . 106 VAL CA . 11569 1 1266 . 1 1 106 106 VAL CB C 13 34.523 0.300 . 1 . . . . 106 VAL CB . 11569 1 1267 . 1 1 106 106 VAL CG1 C 13 22.604 0.300 . 2 . . . . 106 VAL CG1 . 11569 1 1268 . 1 1 106 106 VAL CG2 C 13 18.677 0.300 . 2 . . . . 106 VAL CG2 . 11569 1 1269 . 1 1 106 106 VAL N N 15 108.818 0.300 . 1 . . . . 106 VAL N . 11569 1 1270 . 1 1 107 107 PRO HA H 1 4.471 0.030 . 1 . . . . 107 PRO HA . 11569 1 1271 . 1 1 107 107 PRO HB2 H 1 2.351 0.030 . 2 . . . . 107 PRO HB2 . 11569 1 1272 . 1 1 107 107 PRO HB3 H 1 2.108 0.030 . 2 . . . . 107 PRO HB3 . 11569 1 1273 . 1 1 107 107 PRO HG2 H 1 2.176 0.030 . 1 . . . . 107 PRO HG2 . 11569 1 1274 . 1 1 107 107 PRO HG3 H 1 2.176 0.030 . 1 . . . . 107 PRO HG3 . 11569 1 1275 . 1 1 107 107 PRO HD2 H 1 4.004 0.030 . 2 . . . . 107 PRO HD2 . 11569 1 1276 . 1 1 107 107 PRO HD3 H 1 3.837 0.030 . 2 . . . . 107 PRO HD3 . 11569 1 1277 . 1 1 107 107 PRO C C 13 177.366 0.300 . 1 . . . . 107 PRO C . 11569 1 1278 . 1 1 107 107 PRO CA C 13 63.765 0.300 . 1 . . . . 107 PRO CA . 11569 1 1279 . 1 1 107 107 PRO CB C 13 32.112 0.300 . 1 . . . . 107 PRO CB . 11569 1 1280 . 1 1 107 107 PRO CG C 13 27.059 0.300 . 1 . . . . 107 PRO CG . 11569 1 1281 . 1 1 107 107 PRO CD C 13 50.466 0.300 . 1 . . . . 107 PRO CD . 11569 1 1282 . 1 1 108 108 SER H H 1 7.336 0.030 . 1 . . . . 108 SER H . 11569 1 1283 . 1 1 108 108 SER HA H 1 5.365 0.030 . 1 . . . . 108 SER HA . 11569 1 1284 . 1 1 108 108 SER HB2 H 1 3.666 0.030 . 2 . . . . 108 SER HB2 . 11569 1 1285 . 1 1 108 108 SER HB3 H 1 4.040 0.030 . 2 . . . . 108 SER HB3 . 11569 1 1286 . 1 1 108 108 SER C C 13 172.117 0.300 . 1 . . . . 108 SER C . 11569 1 1287 . 1 1 108 108 SER CA C 13 56.834 0.300 . 1 . . . . 108 SER CA . 11569 1 1288 . 1 1 108 108 SER CB C 13 65.137 0.300 . 1 . . . . 108 SER CB . 11569 1 1289 . 1 1 108 108 SER N N 15 110.853 0.300 . 1 . . . . 108 SER N . 11569 1 1290 . 1 1 109 109 PHE H H 1 8.362 0.030 . 1 . . . . 109 PHE H . 11569 1 1291 . 1 1 109 109 PHE HA H 1 4.662 0.030 . 1 . . . . 109 PHE HA . 11569 1 1292 . 1 1 109 109 PHE HB2 H 1 3.061 0.030 . 1 . . . . 109 PHE HB2 . 11569 1 1293 . 1 1 109 109 PHE HB3 H 1 3.061 0.030 . 1 . . . . 109 PHE HB3 . 11569 1 1294 . 1 1 109 109 PHE HD1 H 1 6.686 0.030 . 1 . . . . 109 PHE HD1 . 11569 1 1295 . 1 1 109 109 PHE HD2 H 1 6.686 0.030 . 1 . . . . 109 PHE HD2 . 11569 1 1296 . 1 1 109 109 PHE HE1 H 1 7.138 0.030 . 1 . . . . 109 PHE HE1 . 11569 1 1297 . 1 1 109 109 PHE HE2 H 1 7.138 0.030 . 1 . . . . 109 PHE HE2 . 11569 1 1298 . 1 1 109 109 PHE HZ H 1 6.801 0.030 . 1 . . . . 109 PHE HZ . 11569 1 1299 . 1 1 109 109 PHE C C 13 171.470 0.300 . 1 . . . . 109 PHE C . 11569 1 1300 . 1 1 109 109 PHE CA C 13 56.700 0.300 . 1 . . . . 109 PHE CA . 11569 1 1301 . 1 1 109 109 PHE CB C 13 40.271 0.300 . 1 . . . . 109 PHE CB . 11569 1 1302 . 1 1 109 109 PHE CD1 C 13 132.341 0.300 . 1 . . . . 109 PHE CD1 . 11569 1 1303 . 1 1 109 109 PHE CD2 C 13 132.341 0.300 . 1 . . . . 109 PHE CD2 . 11569 1 1304 . 1 1 109 109 PHE CE1 C 13 130.490 0.300 . 1 . . . . 109 PHE CE1 . 11569 1 1305 . 1 1 109 109 PHE CE2 C 13 130.490 0.300 . 1 . . . . 109 PHE CE2 . 11569 1 1306 . 1 1 109 109 PHE CZ C 13 129.831 0.300 . 1 . . . . 109 PHE CZ . 11569 1 1307 . 1 1 109 109 PHE N N 15 114.806 0.300 . 1 . . . . 109 PHE N . 11569 1 1308 . 1 1 110 110 SER H H 1 8.658 0.030 . 1 . . . . 110 SER H . 11569 1 1309 . 1 1 110 110 SER HA H 1 5.668 0.030 . 1 . . . . 110 SER HA . 11569 1 1310 . 1 1 110 110 SER HB2 H 1 3.713 0.030 . 2 . . . . 110 SER HB2 . 11569 1 1311 . 1 1 110 110 SER HB3 H 1 3.913 0.030 . 2 . . . . 110 SER HB3 . 11569 1 1312 . 1 1 110 110 SER C C 13 177.358 0.300 . 1 . . . . 110 SER C . 11569 1 1313 . 1 1 110 110 SER CA C 13 54.339 0.300 . 1 . . . . 110 SER CA . 11569 1 1314 . 1 1 110 110 SER CB C 13 63.879 0.300 . 1 . . . . 110 SER CB . 11569 1 1315 . 1 1 110 110 SER N N 15 112.250 0.300 . 1 . . . . 110 SER N . 11569 1 1316 . 1 1 111 111 VAL H H 1 10.288 0.030 . 1 . . . . 111 VAL H . 11569 1 1317 . 1 1 111 111 VAL HA H 1 3.830 0.030 . 1 . . . . 111 VAL HA . 11569 1 1318 . 1 1 111 111 VAL HB H 1 1.972 0.030 . 1 . . . . 111 VAL HB . 11569 1 1319 . 1 1 111 111 VAL HG11 H 1 1.121 0.030 . 2 . . . . 111 VAL HG11 . 11569 1 1320 . 1 1 111 111 VAL HG12 H 1 1.121 0.030 . 2 . . . . 111 VAL HG12 . 11569 1 1321 . 1 1 111 111 VAL HG13 H 1 1.121 0.030 . 2 . . . . 111 VAL HG13 . 11569 1 1322 . 1 1 111 111 VAL HG21 H 1 1.483 0.030 . 2 . . . . 111 VAL HG21 . 11569 1 1323 . 1 1 111 111 VAL HG22 H 1 1.483 0.030 . 2 . . . . 111 VAL HG22 . 11569 1 1324 . 1 1 111 111 VAL HG23 H 1 1.483 0.030 . 2 . . . . 111 VAL HG23 . 11569 1 1325 . 1 1 111 111 VAL CA C 13 64.351 0.300 . 1 . . . . 111 VAL CA . 11569 1 1326 . 1 1 111 111 VAL CB C 13 32.742 0.300 . 1 . . . . 111 VAL CB . 11569 1 1327 . 1 1 111 111 VAL CG1 C 13 24.210 0.300 . 2 . . . . 111 VAL CG1 . 11569 1 1328 . 1 1 111 111 VAL CG2 C 13 23.629 0.300 . 2 . . . . 111 VAL CG2 . 11569 1 1329 . 1 1 111 111 VAL N N 15 107.055 0.300 . 1 . . . . 111 VAL N . 11569 1 1330 . 1 1 112 112 LYS H H 1 7.647 0.030 . 1 . . . . 112 LYS H . 11569 1 1331 . 1 1 112 112 LYS HA H 1 3.994 0.030 . 1 . . . . 112 LYS HA . 11569 1 1332 . 1 1 112 112 LYS HB2 H 1 1.743 0.030 . 2 . . . . 112 LYS HB2 . 11569 1 1333 . 1 1 112 112 LYS HB3 H 1 1.365 0.030 . 2 . . . . 112 LYS HB3 . 11569 1 1334 . 1 1 112 112 LYS HG2 H 1 0.827 0.030 . 1 . . . . 112 LYS HG2 . 11569 1 1335 . 1 1 112 112 LYS HG3 H 1 0.827 0.030 . 1 . . . . 112 LYS HG3 . 11569 1 1336 . 1 1 112 112 LYS HD2 H 1 1.092 0.030 . 2 . . . . 112 LYS HD2 . 11569 1 1337 . 1 1 112 112 LYS HD3 H 1 1.154 0.030 . 2 . . . . 112 LYS HD3 . 11569 1 1338 . 1 1 112 112 LYS HE2 H 1 1.963 0.030 . 2 . . . . 112 LYS HE2 . 11569 1 1339 . 1 1 112 112 LYS HE3 H 1 2.332 0.030 . 2 . . . . 112 LYS HE3 . 11569 1 1340 . 1 1 112 112 LYS C C 13 177.994 0.300 . 1 . . . . 112 LYS C . 11569 1 1341 . 1 1 112 112 LYS CA C 13 58.043 0.300 . 1 . . . . 112 LYS CA . 11569 1 1342 . 1 1 112 112 LYS CB C 13 32.796 0.300 . 1 . . . . 112 LYS CB . 11569 1 1343 . 1 1 112 112 LYS CG C 13 25.635 0.300 . 1 . . . . 112 LYS CG . 11569 1 1344 . 1 1 112 112 LYS CD C 13 29.377 0.300 . 1 . . . . 112 LYS CD . 11569 1 1345 . 1 1 112 112 LYS CE C 13 41.128 0.300 . 1 . . . . 112 LYS CE . 11569 1 1346 . 1 1 113 113 GLU H H 1 7.512 0.030 . 1 . . . . 113 GLU H . 11569 1 1347 . 1 1 113 113 GLU HA H 1 4.420 0.030 . 1 . . . . 113 GLU HA . 11569 1 1348 . 1 1 113 113 GLU HB2 H 1 2.365 0.030 . 2 . . . . 113 GLU HB2 . 11569 1 1349 . 1 1 113 113 GLU HB3 H 1 2.178 0.030 . 2 . . . . 113 GLU HB3 . 11569 1 1350 . 1 1 113 113 GLU HG2 H 1 2.320 0.030 . 2 . . . . 113 GLU HG2 . 11569 1 1351 . 1 1 113 113 GLU HG3 H 1 2.103 0.030 . 2 . . . . 113 GLU HG3 . 11569 1 1352 . 1 1 113 113 GLU C C 13 176.149 0.300 . 1 . . . . 113 GLU C . 11569 1 1353 . 1 1 113 113 GLU CA C 13 54.634 0.300 . 1 . . . . 113 GLU CA . 11569 1 1354 . 1 1 113 113 GLU CB C 13 27.319 0.300 . 1 . . . . 113 GLU CB . 11569 1 1355 . 1 1 113 113 GLU CG C 13 36.523 0.300 . 1 . . . . 113 GLU CG . 11569 1 1356 . 1 1 113 113 GLU N N 15 120.639 0.300 . 1 . . . . 113 GLU N . 11569 1 1357 . 1 1 114 114 HIS H H 1 7.495 0.030 . 1 . . . . 114 HIS H . 11569 1 1358 . 1 1 114 114 HIS HA H 1 3.933 0.030 . 1 . . . . 114 HIS HA . 11569 1 1359 . 1 1 114 114 HIS HB2 H 1 2.926 0.030 . 2 . . . . 114 HIS HB2 . 11569 1 1360 . 1 1 114 114 HIS HB3 H 1 3.056 0.030 . 2 . . . . 114 HIS HB3 . 11569 1 1361 . 1 1 114 114 HIS HD2 H 1 6.952 0.030 . 1 . . . . 114 HIS HD2 . 11569 1 1362 . 1 1 114 114 HIS HE1 H 1 7.490 0.030 . 1 . . . . 114 HIS HE1 . 11569 1 1363 . 1 1 114 114 HIS C C 13 176.874 0.300 . 1 . . . . 114 HIS C . 11569 1 1364 . 1 1 114 114 HIS CA C 13 58.817 0.300 . 1 . . . . 114 HIS CA . 11569 1 1365 . 1 1 114 114 HIS CB C 13 31.545 0.300 . 1 . . . . 114 HIS CB . 11569 1 1366 . 1 1 114 114 HIS CD2 C 13 119.688 0.300 . 1 . . . . 114 HIS CD2 . 11569 1 1367 . 1 1 114 114 HIS CE1 C 13 138.364 0.300 . 1 . . . . 114 HIS CE1 . 11569 1 1368 . 1 1 114 114 HIS N N 15 120.088 0.300 . 1 . . . . 114 HIS N . 11569 1 1369 . 1 1 115 115 ARG H H 1 8.520 0.030 . 1 . . . . 115 ARG H . 11569 1 1370 . 1 1 115 115 ARG HA H 1 3.910 0.030 . 1 . . . . 115 ARG HA . 11569 1 1371 . 1 1 115 115 ARG HB2 H 1 1.840 0.030 . 1 . . . . 115 ARG HB2 . 11569 1 1372 . 1 1 115 115 ARG HB3 H 1 1.840 0.030 . 1 . . . . 115 ARG HB3 . 11569 1 1373 . 1 1 115 115 ARG HG2 H 1 1.612 0.030 . 1 . . . . 115 ARG HG2 . 11569 1 1374 . 1 1 115 115 ARG HG3 H 1 1.612 0.030 . 1 . . . . 115 ARG HG3 . 11569 1 1375 . 1 1 115 115 ARG HD2 H 1 3.179 0.030 . 1 . . . . 115 ARG HD2 . 11569 1 1376 . 1 1 115 115 ARG HD3 H 1 3.179 0.030 . 1 . . . . 115 ARG HD3 . 11569 1 1377 . 1 1 115 115 ARG C C 13 179.216 0.300 . 1 . . . . 115 ARG C . 11569 1 1378 . 1 1 115 115 ARG CA C 13 59.671 0.300 . 1 . . . . 115 ARG CA . 11569 1 1379 . 1 1 115 115 ARG CB C 13 29.330 0.300 . 1 . . . . 115 ARG CB . 11569 1 1380 . 1 1 115 115 ARG CG C 13 27.221 0.300 . 1 . . . . 115 ARG CG . 11569 1 1381 . 1 1 115 115 ARG CD C 13 43.183 0.300 . 1 . . . . 115 ARG CD . 11569 1 1382 . 1 1 115 115 ARG N N 15 117.337 0.300 . 1 . . . . 115 ARG N . 11569 1 1383 . 1 1 116 116 LYS H H 1 7.816 0.030 . 1 . . . . 116 LYS H . 11569 1 1384 . 1 1 116 116 LYS HA H 1 4.008 0.030 . 1 . . . . 116 LYS HA . 11569 1 1385 . 1 1 116 116 LYS HB2 H 1 1.943 0.030 . 1 . . . . 116 LYS HB2 . 11569 1 1386 . 1 1 116 116 LYS HB3 H 1 1.943 0.030 . 1 . . . . 116 LYS HB3 . 11569 1 1387 . 1 1 116 116 LYS HG2 H 1 1.384 0.030 . 2 . . . . 116 LYS HG2 . 11569 1 1388 . 1 1 116 116 LYS HG3 H 1 1.525 0.030 . 2 . . . . 116 LYS HG3 . 11569 1 1389 . 1 1 116 116 LYS HE2 H 1 2.998 0.030 . 1 . . . . 116 LYS HE2 . 11569 1 1390 . 1 1 116 116 LYS HE3 H 1 2.998 0.030 . 1 . . . . 116 LYS HE3 . 11569 1 1391 . 1 1 116 116 LYS C C 13 178.995 0.300 . 1 . . . . 116 LYS C . 11569 1 1392 . 1 1 116 116 LYS CA C 13 59.627 0.300 . 1 . . . . 116 LYS CA . 11569 1 1393 . 1 1 116 116 LYS CB C 13 32.387 0.300 . 1 . . . . 116 LYS CB . 11569 1 1394 . 1 1 116 116 LYS CG C 13 25.164 0.300 . 1 . . . . 116 LYS CG . 11569 1 1395 . 1 1 116 116 LYS CD C 13 29.339 0.300 . 1 . . . . 116 LYS CD . 11569 1 1396 . 1 1 116 116 LYS CE C 13 42.196 0.300 . 1 . . . . 116 LYS CE . 11569 1 1397 . 1 1 116 116 LYS N N 15 120.621 0.300 . 1 . . . . 116 LYS N . 11569 1 1398 . 1 1 117 117 ILE H H 1 7.807 0.030 . 1 . . . . 117 ILE H . 11569 1 1399 . 1 1 117 117 ILE HA H 1 3.443 0.030 . 1 . . . . 117 ILE HA . 11569 1 1400 . 1 1 117 117 ILE HB H 1 1.706 0.030 . 1 . . . . 117 ILE HB . 11569 1 1401 . 1 1 117 117 ILE HG12 H 1 0.756 0.030 . 2 . . . . 117 ILE HG12 . 11569 1 1402 . 1 1 117 117 ILE HG13 H 1 1.556 0.030 . 2 . . . . 117 ILE HG13 . 11569 1 1403 . 1 1 117 117 ILE HG21 H 1 0.529 0.030 . 1 . . . . 117 ILE HG21 . 11569 1 1404 . 1 1 117 117 ILE HG22 H 1 0.529 0.030 . 1 . . . . 117 ILE HG22 . 11569 1 1405 . 1 1 117 117 ILE HG23 H 1 0.529 0.030 . 1 . . . . 117 ILE HG23 . 11569 1 1406 . 1 1 117 117 ILE HD11 H 1 0.819 0.030 . 1 . . . . 117 ILE HD11 . 11569 1 1407 . 1 1 117 117 ILE HD12 H 1 0.819 0.030 . 1 . . . . 117 ILE HD12 . 11569 1 1408 . 1 1 117 117 ILE HD13 H 1 0.819 0.030 . 1 . . . . 117 ILE HD13 . 11569 1 1409 . 1 1 117 117 ILE C C 13 178.209 0.300 . 1 . . . . 117 ILE C . 11569 1 1410 . 1 1 117 117 ILE CA C 13 65.115 0.300 . 1 . . . . 117 ILE CA . 11569 1 1411 . 1 1 117 117 ILE CB C 13 36.740 0.300 . 1 . . . . 117 ILE CB . 11569 1 1412 . 1 1 117 117 ILE CG1 C 13 29.057 0.300 . 1 . . . . 117 ILE CG1 . 11569 1 1413 . 1 1 117 117 ILE CG2 C 13 17.029 0.300 . 1 . . . . 117 ILE CG2 . 11569 1 1414 . 1 1 117 117 ILE CD1 C 13 14.209 0.300 . 1 . . . . 117 ILE CD1 . 11569 1 1415 . 1 1 117 117 ILE N N 15 119.555 0.300 . 1 . . . . 117 ILE N . 11569 1 1416 . 1 1 118 118 TYR H H 1 8.551 0.030 . 1 . . . . 118 TYR H . 11569 1 1417 . 1 1 118 118 TYR HA H 1 4.000 0.030 . 1 . . . . 118 TYR HA . 11569 1 1418 . 1 1 118 118 TYR HB2 H 1 2.940 0.030 . 2 . . . . 118 TYR HB2 . 11569 1 1419 . 1 1 118 118 TYR HB3 H 1 3.024 0.030 . 2 . . . . 118 TYR HB3 . 11569 1 1420 . 1 1 118 118 TYR HD1 H 1 7.015 0.030 . 1 . . . . 118 TYR HD1 . 11569 1 1421 . 1 1 118 118 TYR HD2 H 1 7.015 0.030 . 1 . . . . 118 TYR HD2 . 11569 1 1422 . 1 1 118 118 TYR HE1 H 1 6.466 0.030 . 1 . . . . 118 TYR HE1 . 11569 1 1423 . 1 1 118 118 TYR HE2 H 1 6.466 0.030 . 1 . . . . 118 TYR HE2 . 11569 1 1424 . 1 1 118 118 TYR C C 13 179.342 0.300 . 1 . . . . 118 TYR C . 11569 1 1425 . 1 1 118 118 TYR CA C 13 62.525 0.300 . 1 . . . . 118 TYR CA . 11569 1 1426 . 1 1 118 118 TYR CB C 13 37.203 0.300 . 1 . . . . 118 TYR CB . 11569 1 1427 . 1 1 118 118 TYR CD1 C 13 132.053 0.300 . 1 . . . . 118 TYR CD1 . 11569 1 1428 . 1 1 118 118 TYR CD2 C 13 132.053 0.300 . 1 . . . . 118 TYR CD2 . 11569 1 1429 . 1 1 118 118 TYR CE1 C 13 117.610 0.300 . 1 . . . . 118 TYR CE1 . 11569 1 1430 . 1 1 118 118 TYR CE2 C 13 117.610 0.300 . 1 . . . . 118 TYR CE2 . 11569 1 1431 . 1 1 118 118 TYR N N 15 119.208 0.300 . 1 . . . . 118 TYR N . 11569 1 1432 . 1 1 119 119 THR H H 1 8.298 0.030 . 1 . . . . 119 THR H . 11569 1 1433 . 1 1 119 119 THR HA H 1 4.004 0.030 . 1 . . . . 119 THR HA . 11569 1 1434 . 1 1 119 119 THR HB H 1 4.320 0.030 . 1 . . . . 119 THR HB . 11569 1 1435 . 1 1 119 119 THR HG21 H 1 1.266 0.030 . 1 . . . . 119 THR HG21 . 11569 1 1436 . 1 1 119 119 THR HG22 H 1 1.266 0.030 . 1 . . . . 119 THR HG22 . 11569 1 1437 . 1 1 119 119 THR HG23 H 1 1.266 0.030 . 1 . . . . 119 THR HG23 . 11569 1 1438 . 1 1 119 119 THR C C 13 177.012 0.300 . 1 . . . . 119 THR C . 11569 1 1439 . 1 1 119 119 THR CA C 13 67.089 0.300 . 1 . . . . 119 THR CA . 11569 1 1440 . 1 1 119 119 THR CB C 13 68.672 0.300 . 1 . . . . 119 THR CB . 11569 1 1441 . 1 1 119 119 THR CG2 C 13 21.504 0.300 . 1 . . . . 119 THR CG2 . 11569 1 1442 . 1 1 119 119 THR N N 15 116.675 0.300 . 1 . . . . 119 THR N . 11569 1 1443 . 1 1 120 120 MET H H 1 8.049 0.030 . 1 . . . . 120 MET H . 11569 1 1444 . 1 1 120 120 MET HA H 1 4.118 0.030 . 1 . . . . 120 MET HA . 11569 1 1445 . 1 1 120 120 MET HB2 H 1 1.959 0.030 . 2 . . . . 120 MET HB2 . 11569 1 1446 . 1 1 120 120 MET HB3 H 1 1.703 0.030 . 2 . . . . 120 MET HB3 . 11569 1 1447 . 1 1 120 120 MET HG2 H 1 2.262 0.030 . 2 . . . . 120 MET HG2 . 11569 1 1448 . 1 1 120 120 MET HG3 H 1 2.512 0.030 . 2 . . . . 120 MET HG3 . 11569 1 1449 . 1 1 120 120 MET HE1 H 1 1.452 0.030 . 1 . . . . 120 MET HE1 . 11569 1 1450 . 1 1 120 120 MET HE2 H 1 1.452 0.030 . 1 . . . . 120 MET HE2 . 11569 1 1451 . 1 1 120 120 MET HE3 H 1 1.452 0.030 . 1 . . . . 120 MET HE3 . 11569 1 1452 . 1 1 120 120 MET C C 13 179.335 0.300 . 1 . . . . 120 MET C . 11569 1 1453 . 1 1 120 120 MET CA C 13 59.375 0.300 . 1 . . . . 120 MET CA . 11569 1 1454 . 1 1 120 120 MET CB C 13 32.355 0.300 . 1 . . . . 120 MET CB . 11569 1 1455 . 1 1 120 120 MET CG C 13 31.728 0.300 . 1 . . . . 120 MET CG . 11569 1 1456 . 1 1 120 120 MET CE C 13 16.181 0.300 . 1 . . . . 120 MET CE . 11569 1 1457 . 1 1 120 120 MET N N 15 122.762 0.300 . 1 . . . . 120 MET N . 11569 1 1458 . 1 1 121 121 MET H H 1 8.534 0.030 . 1 . . . . 121 MET H . 11569 1 1459 . 1 1 121 121 MET HA H 1 4.333 0.030 . 1 . . . . 121 MET HA . 11569 1 1460 . 1 1 121 121 MET HB2 H 1 1.945 0.030 . 2 . . . . 121 MET HB2 . 11569 1 1461 . 1 1 121 121 MET HB3 H 1 2.160 0.030 . 2 . . . . 121 MET HB3 . 11569 1 1462 . 1 1 121 121 MET HG2 H 1 2.482 0.030 . 2 . . . . 121 MET HG2 . 11569 1 1463 . 1 1 121 121 MET HG3 H 1 2.591 0.030 . 2 . . . . 121 MET HG3 . 11569 1 1464 . 1 1 121 121 MET HE1 H 1 1.815 0.030 . 1 . . . . 121 MET HE1 . 11569 1 1465 . 1 1 121 121 MET HE2 H 1 1.815 0.030 . 1 . . . . 121 MET HE2 . 11569 1 1466 . 1 1 121 121 MET HE3 H 1 1.815 0.030 . 1 . . . . 121 MET HE3 . 11569 1 1467 . 1 1 121 121 MET C C 13 179.479 0.300 . 1 . . . . 121 MET C . 11569 1 1468 . 1 1 121 121 MET CA C 13 56.717 0.300 . 1 . . . . 121 MET CA . 11569 1 1469 . 1 1 121 121 MET CB C 13 31.012 0.300 . 1 . . . . 121 MET CB . 11569 1 1470 . 1 1 121 121 MET CG C 13 31.848 0.300 . 1 . . . . 121 MET CG . 11569 1 1471 . 1 1 121 121 MET CE C 13 17.133 0.300 . 1 . . . . 121 MET CE . 11569 1 1472 . 1 1 121 121 MET N N 15 117.495 0.300 . 1 . . . . 121 MET N . 11569 1 1473 . 1 1 122 122 ALA H H 1 8.109 0.030 . 1 . . . . 122 ALA H . 11569 1 1474 . 1 1 122 122 ALA HA H 1 4.064 0.030 . 1 . . . . 122 ALA HA . 11569 1 1475 . 1 1 122 122 ALA HB1 H 1 1.534 0.030 . 1 . . . . 122 ALA HB1 . 11569 1 1476 . 1 1 122 122 ALA HB2 H 1 1.534 0.030 . 1 . . . . 122 ALA HB2 . 11569 1 1477 . 1 1 122 122 ALA HB3 H 1 1.534 0.030 . 1 . . . . 122 ALA HB3 . 11569 1 1478 . 1 1 122 122 ALA C C 13 179.859 0.300 . 1 . . . . 122 ALA C . 11569 1 1479 . 1 1 122 122 ALA CA C 13 55.156 0.300 . 1 . . . . 122 ALA CA . 11569 1 1480 . 1 1 122 122 ALA CB C 13 17.945 0.300 . 1 . . . . 122 ALA CB . 11569 1 1481 . 1 1 122 122 ALA N N 15 123.201 0.300 . 1 . . . . 122 ALA N . 11569 1 1482 . 1 1 123 123 SER H H 1 7.645 0.030 . 1 . . . . 123 SER H . 11569 1 1483 . 1 1 123 123 SER HA H 1 4.451 0.030 . 1 . . . . 123 SER HA . 11569 1 1484 . 1 1 123 123 SER HB2 H 1 4.073 0.030 . 1 . . . . 123 SER HB2 . 11569 1 1485 . 1 1 123 123 SER HB3 H 1 4.073 0.030 . 1 . . . . 123 SER HB3 . 11569 1 1486 . 1 1 123 123 SER C C 13 175.536 0.300 . 1 . . . . 123 SER C . 11569 1 1487 . 1 1 123 123 SER CA C 13 60.572 0.300 . 1 . . . . 123 SER CA . 11569 1 1488 . 1 1 123 123 SER CB C 13 63.409 0.300 . 1 . . . . 123 SER CB . 11569 1 1489 . 1 1 123 123 SER N N 15 112.059 0.300 . 1 . . . . 123 SER N . 11569 1 1490 . 1 1 124 124 MET H H 1 7.758 0.030 . 1 . . . . 124 MET H . 11569 1 1491 . 1 1 124 124 MET HA H 1 4.662 0.030 . 1 . . . . 124 MET HA . 11569 1 1492 . 1 1 124 124 MET HB2 H 1 2.164 0.030 . 2 . . . . 124 MET HB2 . 11569 1 1493 . 1 1 124 124 MET HB3 H 1 2.228 0.030 . 2 . . . . 124 MET HB3 . 11569 1 1494 . 1 1 124 124 MET HG2 H 1 2.586 0.030 . 1 . . . . 124 MET HG2 . 11569 1 1495 . 1 1 124 124 MET HG3 H 1 2.586 0.030 . 1 . . . . 124 MET HG3 . 11569 1 1496 . 1 1 124 124 MET HE1 H 1 1.621 0.030 . 1 . . . . 124 MET HE1 . 11569 1 1497 . 1 1 124 124 MET HE2 H 1 1.621 0.030 . 1 . . . . 124 MET HE2 . 11569 1 1498 . 1 1 124 124 MET HE3 H 1 1.621 0.030 . 1 . . . . 124 MET HE3 . 11569 1 1499 . 1 1 124 124 MET C C 13 175.275 0.300 . 1 . . . . 124 MET C . 11569 1 1500 . 1 1 124 124 MET CA C 13 55.561 0.300 . 1 . . . . 124 MET CA . 11569 1 1501 . 1 1 124 124 MET CB C 13 33.852 0.300 . 1 . . . . 124 MET CB . 11569 1 1502 . 1 1 124 124 MET CG C 13 32.235 0.300 . 1 . . . . 124 MET CG . 11569 1 1503 . 1 1 124 124 MET CE C 13 17.836 0.300 . 1 . . . . 124 MET CE . 11569 1 1504 . 1 1 124 124 MET N N 15 118.689 0.300 . 1 . . . . 124 MET N . 11569 1 1505 . 1 1 125 125 THR H H 1 7.542 0.030 . 1 . . . . 125 THR H . 11569 1 1506 . 1 1 125 125 THR HA H 1 4.717 0.030 . 1 . . . . 125 THR HA . 11569 1 1507 . 1 1 125 125 THR HB H 1 4.243 0.030 . 1 . . . . 125 THR HB . 11569 1 1508 . 1 1 125 125 THR HG1 H 1 4.717 0.030 . 1 . . . . 125 THR HG1 . 11569 1 1509 . 1 1 125 125 THR HG21 H 1 1.077 0.030 . 1 . . . . 125 THR HG21 . 11569 1 1510 . 1 1 125 125 THR HG22 H 1 1.077 0.030 . 1 . . . . 125 THR HG22 . 11569 1 1511 . 1 1 125 125 THR HG23 H 1 1.077 0.030 . 1 . . . . 125 THR HG23 . 11569 1 1512 . 1 1 125 125 THR C C 13 173.874 0.300 . 1 . . . . 125 THR C . 11569 1 1513 . 1 1 125 125 THR CA C 13 60.577 0.300 . 1 . . . . 125 THR CA . 11569 1 1514 . 1 1 125 125 THR CB C 13 70.998 0.300 . 1 . . . . 125 THR CB . 11569 1 1515 . 1 1 125 125 THR CG2 C 13 21.775 0.300 . 1 . . . . 125 THR CG2 . 11569 1 1516 . 1 1 125 125 THR N N 15 108.100 0.300 . 1 . . . . 125 THR N . 11569 1 1517 . 1 1 126 126 GLY H H 1 8.183 0.030 . 1 . . . . 126 GLY H . 11569 1 1518 . 1 1 126 126 GLY HA2 H 1 4.111 0.030 . 2 . . . . 126 GLY HA2 . 11569 1 1519 . 1 1 126 126 GLY HA3 H 1 4.209 0.030 . 2 . . . . 126 GLY HA3 . 11569 1 1520 . 1 1 126 126 GLY C C 13 174.550 0.300 . 1 . . . . 126 GLY C . 11569 1 1521 . 1 1 126 126 GLY CA C 13 45.553 0.300 . 1 . . . . 126 GLY CA . 11569 1 1522 . 1 1 126 126 GLY N N 15 108.654 0.300 . 1 . . . . 126 GLY N . 11569 1 1523 . 1 1 127 127 GLY H H 1 8.434 0.030 . 1 . . . . 127 GLY H . 11569 1 1524 . 1 1 127 127 GLY HA2 H 1 4.112 0.030 . 2 . . . . 127 GLY HA2 . 11569 1 1525 . 1 1 127 127 GLY CA C 13 45.240 0.300 . 1 . . . . 127 GLY CA . 11569 1 1526 . 1 1 127 127 GLY N N 15 108.742 0.300 . 1 . . . . 127 GLY N . 11569 1 1527 . 1 1 128 128 GLN H H 1 8.438 0.030 . 1 . . . . 128 GLN H . 11569 1 1528 . 1 1 128 128 GLN HA H 1 4.289 0.030 . 1 . . . . 128 GLN HA . 11569 1 1529 . 1 1 128 128 GLN HB2 H 1 2.003 0.030 . 2 . . . . 128 GLN HB2 . 11569 1 1530 . 1 1 128 128 GLN CA C 13 55.880 0.300 . 1 . . . . 128 GLN CA . 11569 1 1531 . 1 1 128 128 GLN CB C 13 29.748 0.300 . 1 . . . . 128 GLN CB . 11569 1 1532 . 1 1 128 128 GLN N N 15 119.888 0.300 . 1 . . . . 128 GLN N . 11569 1 1533 . 1 1 129 129 GLN H H 1 8.159 0.030 . 1 . . . . 129 GLN H . 11569 1 1534 . 1 1 129 129 GLN HA H 1 4.292 0.030 . 1 . . . . 129 GLN HA . 11569 1 1535 . 1 1 129 129 GLN HB2 H 1 2.000 0.030 . 2 . . . . 129 GLN HB2 . 11569 1 1536 . 1 1 129 129 GLN HB3 H 1 2.117 0.030 . 2 . . . . 129 GLN HB3 . 11569 1 1537 . 1 1 129 129 GLN HG2 H 1 2.341 0.030 . 1 . . . . 129 GLN HG2 . 11569 1 1538 . 1 1 129 129 GLN HG3 H 1 2.341 0.030 . 1 . . . . 129 GLN HG3 . 11569 1 1539 . 1 1 129 129 GLN C C 13 175.840 0.300 . 1 . . . . 129 GLN C . 11569 1 1540 . 1 1 129 129 GLN CA C 13 56.183 0.300 . 1 . . . . 129 GLN CA . 11569 1 1541 . 1 1 129 129 GLN CB C 13 29.246 0.300 . 1 . . . . 129 GLN CB . 11569 1 1542 . 1 1 129 129 GLN CG C 13 33.956 0.300 . 1 . . . . 129 GLN CG . 11569 1 1543 . 1 1 129 129 GLN N N 15 119.806 0.300 . 1 . . . . 129 GLN N . 11569 1 1544 . 1 1 130 130 MET H H 1 8.496 0.030 . 1 . . . . 130 MET H . 11569 1 1545 . 1 1 130 130 MET HB2 H 1 2.122 0.030 . 2 . . . . 130 MET HB2 . 11569 1 1546 . 1 1 130 130 MET C C 13 175.623 0.300 . 1 . . . . 130 MET C . 11569 1 1547 . 1 1 130 130 MET CA C 13 55.458 0.300 . 1 . . . . 130 MET CA . 11569 1 1548 . 1 1 130 130 MET CB C 13 33.104 0.300 . 1 . . . . 130 MET CB . 11569 1 1549 . 1 1 130 130 MET N N 15 122.558 0.300 . 1 . . . . 130 MET N . 11569 1 1550 . 1 1 131 131 GLY H H 1 8.055 0.030 . 1 . . . . 131 GLY H . 11569 1 1551 . 1 1 131 131 GLY C C 13 178.914 0.300 . 1 . . . . 131 GLY C . 11569 1 1552 . 1 1 131 131 GLY CA C 13 46.194 0.300 . 1 . . . . 131 GLY CA . 11569 1 1553 . 1 1 131 131 GLY N N 15 116.464 0.300 . 1 . . . . 131 GLY N . 11569 1 stop_ save_