data_18876 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18876 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Complex of MDM2(3-109) and p73 TAD(10-25) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-05 _Entry.Accession_date 2012-12-05 _Entry.Last_release_date 2015-06-01 _Entry.Original_release_date 2015-06-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jae-Sun Shin . . . 18876 2 Jihyang Ha . . . 18876 3 Seung-Wook Chi . . . 18876 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' . 18876 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Complex structure' . 18876 MDM2 . 18876 p53 . 18876 'p73 TAD' . 18876 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18876 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 384 18876 '15N chemical shifts' 111 18876 '1H chemical shifts' 762 18876 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 . . 2015-06-01 . original BMRB . 18876 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18876 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25591003 _Citation.Full_citation . _Citation.Title ; Structural convergence of unstructured p53 family transactivation domains in MDM2 recognition ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Cycle' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 533 _Citation.Page_last 543 _Citation.Year 2015 _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 Jae-Sun Shin . . . 18876 1 2 Ji-Hyang Ha . . . 18876 1 3 Dong-Hwa Lee . . . 18876 1 4 Kyoung-Seok Ryu . . . 18876 1 5 Kwang-Hee Bae . . . 18876 1 6 Byoung-Chul Park . . . 18876 1 7 Sung-Goo Park . . . 18876 1 8 Gwan-Su Yi . . . 18876 1 9 Seung-Wook Chi . . . 18876 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18876 _Assembly.ID 1 _Assembly.Name 'Complex of MDM2(3-109) and p73 TAD(10-25)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MDM2(3-109) 1 $MDM2(3-109) A . yes native no no . . . 18876 1 2 p73_TAD(10-25) 2 $p73_TAD(10-25) B . yes native no no . . . 18876 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MDM2(3-109) _Entity.Sf_category entity _Entity.Sf_framecode MDM2(3-109) _Entity.Entry_ID 18876 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NTNMSVPTDGAVTTSQIPAS EQETLVRPKPLLLKLLKSVG AQKDTYTMKEVLFYLGQYIM TKRLYDEKQQHIVYCSNDLL GDLFGVPSFSVKEHRKIYTM IYRNLVV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12275.353 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11569 . MIP-MDM2 . . . . . 92.52 131 97.98 98.99 9.92e-64 . . . . 18876 1 2 no BMRB 18755 . entity_1 . . . . . 100.00 124 99.07 99.07 6.85e-69 . . . . 18876 1 3 no BMRB 2410 . "N-terminal domain of the human murine double minute clone 2 protein" . . . . . 100.00 119 100.00 100.00 7.71e-72 . . . . 18876 1 4 no PDB 1RV1 . "Crystal Structure Of Human Mdm2 With An Imidazoline Inhibitor" . . . . . 79.44 85 98.82 98.82 7.42e-53 . . . . 18876 1 5 no PDB 1T4E . "Structure Of Human Mdm2 In Complex With A Benzodiazepine Inhibitor" . . . . . 86.92 96 100.00 100.00 2.56e-60 . . . . 18876 1 6 no PDB 1T4F . "Structure Of Human Mdm2 In Complex With An Optimized P53 Peptide" . . . . . 86.92 110 100.00 100.00 1.11e-60 . . . . 18876 1 7 no PDB 1YCR . "Mdm2 Bound To The Transactivation Domain Of P53" . . . . . 86.92 109 100.00 100.00 8.64e-61 . . . . 18876 1 8 no PDB 1Z1M . "Nmr Structure Of Unliganded Mdm2" . . . . . 100.00 119 100.00 100.00 7.71e-72 . . . . 18876 1 9 no PDB 2AXI . "Hdm2 In Complex With A Beta-hairpin" . . . . . 86.92 115 100.00 100.00 1.15e-60 . . . . 18876 1 10 no PDB 2GV2 . "Mdm2 In Complex With An 8-Mer P53 Peptide Analogue" . . . . . 86.92 110 100.00 100.00 1.11e-60 . . . . 18876 1 11 no PDB 2LZG . "Nmr Structure Of Mdm2 (6-125) With Pip-1" . . . . . 100.00 125 100.00 100.00 6.16e-72 . . . . 18876 1 12 no PDB 2M86 . "Solution Structure Of Hdm2 With Engineered Cyclotide" . . . . . 86.92 129 100.00 100.00 9.82e-61 . . . . 18876 1 13 no PDB 2MPS . "Structure Of Complex Of Mdm2(3-109) And P73 Tad(10-25)" . . . . . 100.00 107 100.00 100.00 9.63e-72 . . . . 18876 1 14 no PDB 2RUH . "Chemical Shift Assignments For Mip And Mdm2 In Bound State" . . . . . 92.52 131 97.98 98.99 9.92e-64 . . . . 18876 1 15 no PDB 3EQS . "Crystal Structure Of Human Mdm2 In Complex With A 12-Mer Peptide Inhibitor" . . . . . 79.44 85 100.00 100.00 5.62e-54 . . . . 18876 1 16 no PDB 3G03 . "Structure Of Human Mdm2 In Complex With High Affinity Peptide" . . . . . 85.98 109 100.00 100.00 4.15e-60 . . . . 18876 1 17 no PDB 3IUX . "Crystal Structure Of Human Mdm2 In Complex With A Potent Miniature Protein Inhibitor (18-Residues)" . . . . . 79.44 85 100.00 100.00 5.62e-54 . . . . 18876 1 18 no PDB 3IWY . "Crystal Structure Of Human Mdm2 Complexed With D-peptide (12 Residues)" . . . . . 79.44 85 100.00 100.00 5.62e-54 . . . . 18876 1 19 no PDB 3JZK . "Crystal Structure Of Mdm2 With Chromenotriazolopyrimidine 1" . . . . . 86.92 96 100.00 100.00 2.56e-60 . . . . 18876 1 20 no PDB 3JZR . "Human Mdm2 Liganded With A 12mer Peptide Inhibitor (Pdi6w)" . . . . . 86.92 110 100.00 100.00 1.11e-60 . . . . 18876 1 21 no PDB 3JZS . "Human Mdm2 Liganded With A 12mer Peptide Inhibitor (Pdiq)" . . . . . 80.37 86 100.00 100.00 8.42e-55 . . . . 18876 1 22 no PDB 3LBK . "Structure Of Human Mdm2 Protein In Complex With A Small Molecule Inhibitor" . . . . . 85.98 95 98.91 98.91 1.09e-58 . . . . 18876 1 23 no PDB 3LBL . "Structure Of Human Mdm2 Protein In Complex With Mi-63-Analog" . . . . . 85.98 95 100.00 100.00 8.99e-60 . . . . 18876 1 24 no PDB 3LNJ . "Crystal Structure Of Human Mdm2 In Complex With D-Peptide Inhibitor (Dpmi-Alpha)" . . . . . 79.44 85 100.00 100.00 5.62e-54 . . . . 18876 1 25 no PDB 3LNZ . "Crystal Structure Of Human Mdm2 With A 12-Mer Peptide Inhibitor Pmi (N8a Mutant)" . . . . . 79.44 85 100.00 100.00 5.62e-54 . . . . 18876 1 26 no PDB 3TJ2 . "Structure Of A Novel Submicromolar Mdm2 Inhibitor" . . . . . 85.98 95 100.00 100.00 8.99e-60 . . . . 18876 1 27 no PDB 3TPX . "Crystal Structure Of Human Mdm2 In Complex With A Trifluoromethylated D-peptide Inhibitor" . . . . . 79.44 85 100.00 100.00 5.62e-54 . . . . 18876 1 28 no PDB 3TU1 . "Exhaustive Fluorine Scanning Towards Potent P53-Mdm2 Antagonist" . . . . . 85.98 108 100.00 100.00 3.98e-60 . . . . 18876 1 29 no PDB 3V3B . "Structure Of The Stapled P53 Peptide Bound To Mdm2" . . . . . 80.37 88 100.00 100.00 6.50e-55 . . . . 18876 1 30 no PDB 3VBG . "Structure Of Hdm2 With Dimer Inducing Indolyl Hydantoin Ro-2443" . . . . . 79.44 85 98.82 98.82 7.42e-53 . . . . 18876 1 31 no PDB 3VZV . "Crystal Structure Of Human Mdm2 With A Dihydroimidazothiazole Inhibitor" . . . . . 79.44 87 98.82 98.82 6.90e-53 . . . . 18876 1 32 no PDB 3W69 . "Crystal Structure Of Human Mdm2 With A Dihydroimidazothiazole Inhibitor" . . . . . 79.44 87 98.82 98.82 6.90e-53 . . . . 18876 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" . . . . . 86.92 96 98.92 98.92 2.85e-59 . . . . 18876 1 34 no PDB 4ERE . "Crystal Structure Of Mdm2 (17-111) In Complex With Compound 23" . . . . . 86.92 96 100.00 100.00 2.56e-60 . . . . 18876 1 35 no PDB 4ERF . "Crystal Structure Of Mdm2 (17-111) In Complex With Compound 29 (Am- 8553)" . . . . . 86.92 96 100.00 100.00 2.56e-60 . . . . 18876 1 36 no PDB 4HBM . "Ordering Of The N Terminus Of Human Mdm2 By Small Molecule Inhibitors" . . . . . 97.20 120 100.00 100.00 2.17e-69 . . . . 18876 1 37 no PDB 4HFZ . "Crystal Structure Of An Mdm2/p53 Peptide Complex" . . . . . 86.92 109 97.85 97.85 3.43e-59 . . . . 18876 1 38 no PDB 4JV7 . "Co-crystal Structure Of Mdm2 With Inhibitor (2s,5r,6s)-2-benzyl-5,6- Bis(4-bromophenyl)-4-methylmorpholin-3-one" . . . . . 85.98 96 100.00 100.00 1.13e-59 . . . . 18876 1 39 no PDB 4JV9 . "Co-crystal Structure Of Mdm2 With Inhibitor (2s,5r,6s)-2-benzyl-5,6- Bis(4-chlorophenyl)-4-methylmorpholin-3-one" . . . . . 85.98 96 100.00 100.00 1.13e-59 . . . . 18876 1 40 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-" . . . . . 85.98 96 100.00 100.00 1.13e-59 . . . . 18876 1 41 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" . . . . . 85.98 96 100.00 100.00 1.13e-59 . . . . 18876 1 42 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- " . . . . . 86.92 95 100.00 100.00 2.00e-60 . . . . 18876 1 43 no PDB 4MDN . "Structure Of A Novel Submicromolar Mdm2 Inhibitor" . . . . . 85.98 94 100.00 100.00 9.02e-60 . . . . 18876 1 44 no PDB 4MDQ . "Structure Of A Novel Submicromolar Mdm2 Inhibitor" . . . . . 79.44 86 100.00 100.00 5.08e-54 . . . . 18876 1 45 no PDB 4OAS . "Co-crystal Structure Of Mdm2 (17-111) In Complex With Compound 25" . . . . . 86.92 96 100.00 100.00 2.56e-60 . . . . 18876 1 46 no PDB 4OBA . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 4" . . . . . 86.92 96 100.00 100.00 2.56e-60 . . . . 18876 1 47 no PDB 4OCC . "Co-crystal Structure Of Mdm2(17-111) In Complex With Compound 48" . . . . . 86.92 96 100.00 100.00 2.56e-60 . . . . 18876 1 48 no PDB 4ODE . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 4" . . . . . 97.20 105 100.00 100.00 3.78e-69 . . . . 18876 1 49 no PDB 4ODF . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 47" . . . . . 97.20 105 100.00 100.00 3.78e-69 . . . . 18876 1 50 no PDB 4OGN . "Co-crystal Structure Of Mdm2 With Inhbitor Compound 3" . . . . . 97.20 105 100.00 100.00 3.78e-69 . . . . 18876 1 51 no PDB 4OGT . "Co-crystal Structure Of Mdm2 With Inhbitor Compound 46" . . . . . 97.20 105 100.00 100.00 3.78e-69 . . . . 18876 1 52 no PDB 4OGV . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 49" . . . . . 86.92 95 100.00 100.00 2.00e-60 . . . . 18876 1 53 no PDB 4OQ3 . "Tetra-substituted Imidazoles As A New Class Of Inhibitors Of The P53- Mdm2 Interaction" . . . . . 86.92 96 98.92 98.92 2.85e-59 . . . . 18876 1 54 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" . . . . . 86.92 96 100.00 100.00 2.56e-60 . . . . 18876 1 55 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" . . . . . 86.92 96 100.00 100.00 2.56e-60 . . . . 18876 1 56 no PDB 4UMN . "Structure Of A Stapled Peptide Antagonist Bound To Nutlin- Resistant Mdm2" . . . . . 97.20 120 99.04 99.04 1.30e-68 . . . . 18876 1 57 no PDB 4WT2 . "Co-crystal Structure Of Mdm2 In Complex With Am-7209" . . . . . 97.20 105 100.00 100.00 3.78e-69 . . . . 18876 1 58 no PDB 4ZYC . "Discovery Of Dihydroisoquinolinone Derivatives As Novel Inhibitors Of The P53-mdm2 Interaction With A Distinct Binding Mode: Hd" . . . . . 86.92 96 98.92 98.92 2.85e-59 . . . . 18876 1 59 no PDB 4ZYF . "Discovery Of Nvp-cgm097 - A Highly Potent And Selective Mdm2 Inhibitor Undergoing Phase 1 Clinical Trials In P53wt Tumors: Hdm2" . . . . . 86.92 96 100.00 100.00 2.56e-60 . . . . 18876 1 60 no PDB 4ZYI . "Discovery Of Nvp-cgm097 - A Highly Potent And Selective Mdm2 Inhibitor Undergoing Phase 1 Clinical Trials In P53wt Tumors: Hdm2" . . . . . 86.92 96 100.00 100.00 2.56e-60 . . . . 18876 1 61 no DBJ BAB11975 . "MDM2 [Canis lupus familiaris]" . . . . . 100.00 487 97.20 99.07 3.00e-65 . . . . 18876 1 62 no DBJ BAF83030 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 491 100.00 100.00 7.47e-69 . . . . 18876 1 63 no DBJ BAJ17752 . "Mdm2 p53 binding protein homolog [synthetic construct]" . . . . . 100.00 497 100.00 100.00 8.45e-69 . . . . 18876 1 64 no EMBL CAA78055 . "p53 associated [Homo sapiens]" . . . . . 100.00 491 100.00 100.00 7.47e-69 . . . . 18876 1 65 no EMBL CAD23251 . "MDM2 isoform KB9 [Homo sapiens]" . . . . . 100.00 243 100.00 100.00 1.22e-70 . . . . 18876 1 66 no EMBL CAD36959 . "p53-binding protein [Homo sapiens]" . . . . . 100.00 166 100.00 100.00 3.74e-71 . . . . 18876 1 67 no EMBL CAD79457 . "HDM2-HD3 protein [Homo sapiens]" . . . . . 55.14 69 100.00 100.00 1.77e-32 . . . . 18876 1 68 no EMBL CAH89564 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 497 100.00 100.00 9.60e-69 . . . . 18876 1 69 no GB AAA60568 . "p53 associated [Homo sapiens]" . . . . . 100.00 491 100.00 100.00 7.47e-69 . . . . 18876 1 70 no GB AAF28866 . "double minute 2 protein [Equus caballus]" . . . . . 100.00 491 97.20 99.07 1.70e-66 . . . . 18876 1 71 no GB AAG42840 . "MDM2 [Canis lupus familiaris]" . . . . . 100.00 487 97.20 99.07 3.00e-65 . . . . 18876 1 72 no GB AAI42265 . "MDM2 protein [Bos taurus]" . . . . . 100.00 492 97.20 99.07 1.69e-66 . . . . 18876 1 73 no GB AAI48523 . "Mdm2 p53 binding protein homolog (mouse), partial [synthetic construct]" . . . . . 100.00 497 100.00 100.00 8.45e-69 . . . . 18876 1 74 no PRF 1814460A . "p53-associated protein" . . . . . 100.00 491 100.00 100.00 7.47e-69 . . . . 18876 1 75 no REF NP_001003103 . "E3 ubiquitin-protein ligase Mdm2 [Canis lupus familiaris]" . . . . . 100.00 487 97.20 99.07 3.00e-65 . . . . 18876 1 76 no REF NP_001092577 . "E3 ubiquitin-protein ligase Mdm2 [Bos taurus]" . . . . . 100.00 492 97.20 99.07 1.69e-66 . . . . 18876 1 77 no REF NP_001124685 . "E3 ubiquitin-protein ligase Mdm2 [Pongo abelii]" . . . . . 100.00 497 100.00 100.00 9.60e-69 . . . . 18876 1 78 no REF NP_001138809 . "E3 ubiquitin-protein ligase Mdm2 isoform g [Homo sapiens]" . . . . . 100.00 444 100.00 100.00 3.92e-69 . . . . 18876 1 79 no REF NP_001138811 . "E3 ubiquitin-protein ligase Mdm2 isoform h [Homo sapiens]" . . . . . 100.00 442 100.00 100.00 4.63e-69 . . . . 18876 1 80 no SP P56951 . "RecName: Full=E3 ubiquitin-protein ligase Mdm2; AltName: Full=Double minute 2 protein; Short=Edm2; AltName: Full=p53-binding pr" . . . . . 100.00 491 97.20 99.07 1.70e-66 . . . . 18876 1 81 no SP Q00987 . "RecName: Full=E3 ubiquitin-protein ligase Mdm2; AltName: Full=Double minute 2 protein; Short=Hdm2; AltName: Full=Oncoprotein Md" . . . . . 100.00 491 100.00 100.00 7.47e-69 . . . . 18876 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 3 ASN . 18876 1 2 4 THR . 18876 1 3 5 ASN . 18876 1 4 6 MET . 18876 1 5 7 SER . 18876 1 6 8 VAL . 18876 1 7 9 PRO . 18876 1 8 10 THR . 18876 1 9 11 ASP . 18876 1 10 12 GLY . 18876 1 11 13 ALA . 18876 1 12 14 VAL . 18876 1 13 15 THR . 18876 1 14 16 THR . 18876 1 15 17 SER . 18876 1 16 18 GLN . 18876 1 17 19 ILE . 18876 1 18 20 PRO . 18876 1 19 21 ALA . 18876 1 20 22 SER . 18876 1 21 23 GLU . 18876 1 22 24 GLN . 18876 1 23 25 GLU . 18876 1 24 26 THR . 18876 1 25 27 LEU . 18876 1 26 28 VAL . 18876 1 27 29 ARG . 18876 1 28 30 PRO . 18876 1 29 31 LYS . 18876 1 30 32 PRO . 18876 1 31 33 LEU . 18876 1 32 34 LEU . 18876 1 33 35 LEU . 18876 1 34 36 LYS . 18876 1 35 37 LEU . 18876 1 36 38 LEU . 18876 1 37 39 LYS . 18876 1 38 40 SER . 18876 1 39 41 VAL . 18876 1 40 42 GLY . 18876 1 41 43 ALA . 18876 1 42 44 GLN . 18876 1 43 45 LYS . 18876 1 44 46 ASP . 18876 1 45 47 THR . 18876 1 46 48 TYR . 18876 1 47 49 THR . 18876 1 48 50 MET . 18876 1 49 51 LYS . 18876 1 50 52 GLU . 18876 1 51 53 VAL . 18876 1 52 54 LEU . 18876 1 53 55 PHE . 18876 1 54 56 TYR . 18876 1 55 57 LEU . 18876 1 56 58 GLY . 18876 1 57 59 GLN . 18876 1 58 60 TYR . 18876 1 59 61 ILE . 18876 1 60 62 MET . 18876 1 61 63 THR . 18876 1 62 64 LYS . 18876 1 63 65 ARG . 18876 1 64 66 LEU . 18876 1 65 67 TYR . 18876 1 66 68 ASP . 18876 1 67 69 GLU . 18876 1 68 70 LYS . 18876 1 69 71 GLN . 18876 1 70 72 GLN . 18876 1 71 73 HIS . 18876 1 72 74 ILE . 18876 1 73 75 VAL . 18876 1 74 76 TYR . 18876 1 75 77 CYS . 18876 1 76 78 SER . 18876 1 77 79 ASN . 18876 1 78 80 ASP . 18876 1 79 81 LEU . 18876 1 80 82 LEU . 18876 1 81 83 GLY . 18876 1 82 84 ASP . 18876 1 83 85 LEU . 18876 1 84 86 PHE . 18876 1 85 87 GLY . 18876 1 86 88 VAL . 18876 1 87 89 PRO . 18876 1 88 90 SER . 18876 1 89 91 PHE . 18876 1 90 92 SER . 18876 1 91 93 VAL . 18876 1 92 94 LYS . 18876 1 93 95 GLU . 18876 1 94 96 HIS . 18876 1 95 97 ARG . 18876 1 96 98 LYS . 18876 1 97 99 ILE . 18876 1 98 100 TYR . 18876 1 99 101 THR . 18876 1 100 102 MET . 18876 1 101 103 ILE . 18876 1 102 104 TYR . 18876 1 103 105 ARG . 18876 1 104 106 ASN . 18876 1 105 107 LEU . 18876 1 106 108 VAL . 18876 1 107 109 VAL . 18876 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 . ASN 1 1 18876 1 . THR 2 2 18876 1 . ASN 3 3 18876 1 . MET 4 4 18876 1 . SER 5 5 18876 1 . VAL 6 6 18876 1 . PRO 7 7 18876 1 . THR 8 8 18876 1 . ASP 9 9 18876 1 . GLY 10 10 18876 1 . ALA 11 11 18876 1 . VAL 12 12 18876 1 . THR 13 13 18876 1 . THR 14 14 18876 1 . SER 15 15 18876 1 . GLN 16 16 18876 1 . ILE 17 17 18876 1 . PRO 18 18 18876 1 . ALA 19 19 18876 1 . SER 20 20 18876 1 . GLU 21 21 18876 1 . GLN 22 22 18876 1 . GLU 23 23 18876 1 . THR 24 24 18876 1 . LEU 25 25 18876 1 . VAL 26 26 18876 1 . ARG 27 27 18876 1 . PRO 28 28 18876 1 . LYS 29 29 18876 1 . PRO 30 30 18876 1 . LEU 31 31 18876 1 . LEU 32 32 18876 1 . LEU 33 33 18876 1 . LYS 34 34 18876 1 . LEU 35 35 18876 1 . LEU 36 36 18876 1 . LYS 37 37 18876 1 . SER 38 38 18876 1 . VAL 39 39 18876 1 . GLY 40 40 18876 1 . ALA 41 41 18876 1 . GLN 42 42 18876 1 . LYS 43 43 18876 1 . ASP 44 44 18876 1 . THR 45 45 18876 1 . TYR 46 46 18876 1 . THR 47 47 18876 1 . MET 48 48 18876 1 . LYS 49 49 18876 1 . GLU 50 50 18876 1 . VAL 51 51 18876 1 . LEU 52 52 18876 1 . PHE 53 53 18876 1 . TYR 54 54 18876 1 . LEU 55 55 18876 1 . GLY 56 56 18876 1 . GLN 57 57 18876 1 . TYR 58 58 18876 1 . ILE 59 59 18876 1 . MET 60 60 18876 1 . THR 61 61 18876 1 . LYS 62 62 18876 1 . ARG 63 63 18876 1 . LEU 64 64 18876 1 . TYR 65 65 18876 1 . ASP 66 66 18876 1 . GLU 67 67 18876 1 . LYS 68 68 18876 1 . GLN 69 69 18876 1 . GLN 70 70 18876 1 . HIS 71 71 18876 1 . ILE 72 72 18876 1 . VAL 73 73 18876 1 . TYR 74 74 18876 1 . CYS 75 75 18876 1 . SER 76 76 18876 1 . ASN 77 77 18876 1 . ASP 78 78 18876 1 . LEU 79 79 18876 1 . LEU 80 80 18876 1 . GLY 81 81 18876 1 . ASP 82 82 18876 1 . LEU 83 83 18876 1 . PHE 84 84 18876 1 . GLY 85 85 18876 1 . VAL 86 86 18876 1 . PRO 87 87 18876 1 . SER 88 88 18876 1 . PHE 89 89 18876 1 . SER 90 90 18876 1 . VAL 91 91 18876 1 . LYS 92 92 18876 1 . GLU 93 93 18876 1 . HIS 94 94 18876 1 . ARG 95 95 18876 1 . LYS 96 96 18876 1 . ILE 97 97 18876 1 . TYR 98 98 18876 1 . THR 99 99 18876 1 . MET 100 100 18876 1 . ILE 101 101 18876 1 . TYR 102 102 18876 1 . ARG 103 103 18876 1 . ASN 104 104 18876 1 . LEU 105 105 18876 1 . VAL 106 106 18876 1 . VAL 107 107 18876 1 stop_ save_ save_p73_TAD(10-25) _Entity.Sf_category entity _Entity.Sf_framecode p73_TAD(10-25) _Entity.Entry_ID 18876 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DGGTTFEHLWSSLEPD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1791.864 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 115 ASP . 18876 2 2 116 GLY . 18876 2 3 117 GLY . 18876 2 4 118 THR . 18876 2 5 119 THR . 18876 2 6 120 PHE . 18876 2 7 121 GLU . 18876 2 8 122 HIS . 18876 2 9 123 LEU . 18876 2 10 124 TRP . 18876 2 11 125 SER . 18876 2 12 126 SER . 18876 2 13 127 LEU . 18876 2 14 128 GLU . 18876 2 15 129 PRO . 18876 2 16 130 ASP . 18876 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASP 1 1 18876 2 . GLY 2 2 18876 2 . GLY 3 3 18876 2 . THR 4 4 18876 2 . THR 5 5 18876 2 . PHE 6 6 18876 2 . GLU 7 7 18876 2 . HIS 8 8 18876 2 . LEU 9 9 18876 2 . TRP 10 10 18876 2 . SER 11 11 18876 2 . SER 12 12 18876 2 . LEU 13 13 18876 2 . GLU 14 14 18876 2 . PRO 15 15 18876 2 . ASP 16 16 18876 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18876 _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 $MDM2(3-109) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 18876 1 2 2 $p73_TAD(10-25) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 18876 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 18876 _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 $MDM2(3-109) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . . 18876 1 2 2 $p73_TAD(10-25) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . . 18876 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_MDM2-p73TAD _Sample.Sf_category sample _Sample.Sf_framecode MDM2-p73TAD _Sample.Entry_ID 18876 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MDM2(3-109) '[U-95% 13C; U-95% 15N]' . . 1 $MDM2(3-109) . . 0.9 . . mM . . . . 18876 1 2 'p73 TAD(10-25)' '[U-95% 13C; U-95% 15N]' . . 2 $p73_TAD(10-25) . . 0.9 . . mM . . . . 18876 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18876 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18876 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 18876 _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' 50 . mM 18876 1 pH 6.5 . pH 18876 1 pressure 1 . atm 18876 1 temperature 283 . K 18876 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18876 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.26 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18876 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18876 1 Goddard . . 18876 1 'Guntert, Mumenthaler and Wuthrich' . . 18876 1 'Schwieters, Kuszewski, Tjandra and Clore' . . 18876 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18876 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18876 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18876 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18876 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 18876 1 2 spectrometer_2 Bruker Avance . 900 . . . 18876 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 18876 _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 $MDM2-p73TAD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18876 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $MDM2-p73TAD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18876 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $MDM2-p73TAD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18876 1 4 '3D HNCO' no . . . . . . . . . . 1 $MDM2-p73TAD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18876 1 5 '3D HNCACB' no . . . . . . . . . . 1 $MDM2-p73TAD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18876 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $MDM2-p73TAD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18876 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $MDM2-p73TAD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18876 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $MDM2-p73TAD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18876 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $MDM2-p73TAD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18876 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $MDM2-p73TAD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18876 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $MDM2-p73TAD isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18876 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 18876 _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 water protons . . . . ppm 0 na indirect . . . . . . . . . . 18876 1 H 1 water protons . . . . ppm 0 na direct 1 . . . . . . . . . 18876 1 N 15 water protons . . . . ppm 0 na indirect . . . . . . . . . . 18876 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 18876 _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' . . . 18876 1 2 '2D 1H-13C HSQC aliphatic' . . . 18876 1 3 '3D CBCA(CO)NH' . . . 18876 1 4 '3D HNCO' . . . 18876 1 5 '3D HNCACB' . . . 18876 1 6 '3D HBHA(CO)NH' . . . 18876 1 7 '3D HCCH-TOCSY' . . . 18876 1 8 '3D HCCH-COSY' . . . 18876 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR HA H 1 4.300 0.020 . 1 . . . A 4 THR HA . 18876 1 2 . 1 1 2 2 THR HG21 H 1 1.181 0.020 . 1 . . . A 4 THR HG21 . 18876 1 3 . 1 1 2 2 THR HG22 H 1 1.181 0.020 . 1 . . . A 4 THR HG22 . 18876 1 4 . 1 1 2 2 THR HG23 H 1 1.181 0.020 . 1 . . . A 4 THR HG23 . 18876 1 5 . 1 1 2 2 THR CA C 13 61.960 0.400 . 1 . . . A 4 THR CA . 18876 1 6 . 1 1 2 2 THR CB C 13 69.667 0.400 . 1 . . . A 4 THR CB . 18876 1 7 . 1 1 2 2 THR CG2 C 13 20.742 0.400 . 1 . . . A 4 THR CG2 . 18876 1 8 . 1 1 3 3 ASN H H 1 8.547 0.020 . 1 . . . A 5 ASN H . 18876 1 9 . 1 1 3 3 ASN HA H 1 4.703 0.020 . 1 . . . A 5 ASN HA . 18876 1 10 . 1 1 3 3 ASN HB2 H 1 2.859 0.020 . 2 . . . A 5 ASN HB2 . 18876 1 11 . 1 1 3 3 ASN HB3 H 1 2.775 0.020 . 2 . . . A 5 ASN HB3 . 18876 1 12 . 1 1 3 3 ASN CA C 13 53.451 0.400 . 1 . . . A 5 ASN CA . 18876 1 13 . 1 1 3 3 ASN CB C 13 38.633 0.400 . 1 . . . A 5 ASN CB . 18876 1 14 . 1 1 3 3 ASN N N 15 120.955 0.400 . 1 . . . A 5 ASN N . 18876 1 15 . 1 1 4 4 MET H H 1 8.376 0.020 . 1 . . . A 6 MET H . 18876 1 16 . 1 1 4 4 MET HA H 1 4.508 0.020 . 1 . . . A 6 MET HA . 18876 1 17 . 1 1 4 4 MET HB2 H 1 2.124 0.020 . 2 . . . A 6 MET HB2 . 18876 1 18 . 1 1 4 4 MET HB3 H 1 1.968 0.020 . 2 . . . A 6 MET HB3 . 18876 1 19 . 1 1 4 4 MET CA C 13 55.464 0.400 . 1 . . . A 6 MET CA . 18876 1 20 . 1 1 4 4 MET CB C 13 32.690 0.400 . 1 . . . A 6 MET CB . 18876 1 21 . 1 1 4 4 MET N N 15 120.865 0.400 . 1 . . . A 6 MET N . 18876 1 22 . 1 1 5 5 SER H H 1 8.383 0.020 . 1 . . . A 7 SER H . 18876 1 23 . 1 1 5 5 SER HA H 1 4.447 0.020 . 1 . . . A 7 SER HA . 18876 1 24 . 1 1 5 5 SER HB2 H 1 3.843 0.020 . 1 . . . A 7 SER HB2 . 18876 1 25 . 1 1 5 5 SER HB3 H 1 3.843 0.020 . 1 . . . A 7 SER HB3 . 18876 1 26 . 1 1 5 5 SER CA C 13 58.409 0.400 . 1 . . . A 7 SER CA . 18876 1 27 . 1 1 5 5 SER CB C 13 63.762 0.400 . 1 . . . A 7 SER CB . 18876 1 28 . 1 1 5 5 SER N N 15 117.571 0.400 . 1 . . . A 7 SER N . 18876 1 29 . 1 1 6 6 VAL H H 1 8.230 0.020 . 1 . . . A 8 VAL H . 18876 1 30 . 1 1 6 6 VAL HA H 1 4.445 0.020 . 1 . . . A 8 VAL HA . 18876 1 31 . 1 1 6 6 VAL HB H 1 2.078 0.020 . 1 . . . A 8 VAL HB . 18876 1 32 . 1 1 6 6 VAL HG11 H 1 0.959 0.020 . 2 . . . A 8 VAL HG11 . 18876 1 33 . 1 1 6 6 VAL HG12 H 1 0.959 0.020 . 2 . . . A 8 VAL HG12 . 18876 1 34 . 1 1 6 6 VAL HG13 H 1 0.959 0.020 . 2 . . . A 8 VAL HG13 . 18876 1 35 . 1 1 6 6 VAL HG21 H 1 0.921 0.020 . 2 . . . A 8 VAL HG21 . 18876 1 36 . 1 1 6 6 VAL HG22 H 1 0.921 0.020 . 2 . . . A 8 VAL HG22 . 18876 1 37 . 1 1 6 6 VAL HG23 H 1 0.921 0.020 . 2 . . . A 8 VAL HG23 . 18876 1 38 . 1 1 6 6 VAL CA C 13 59.848 0.400 . 1 . . . A 8 VAL CA . 18876 1 39 . 1 1 6 6 VAL CB C 13 32.663 0.400 . 1 . . . A 8 VAL CB . 18876 1 40 . 1 1 6 6 VAL CG1 C 13 21.040 0.400 . 1 . . . A 8 VAL CG1 . 18876 1 41 . 1 1 6 6 VAL CG2 C 13 20.290 0.400 . 1 . . . A 8 VAL CG2 . 18876 1 42 . 1 1 6 6 VAL N N 15 123.292 0.400 . 1 . . . A 8 VAL N . 18876 1 43 . 1 1 7 7 PRO HA H 1 4.479 0.020 . 1 . . . A 9 PRO HA . 18876 1 44 . 1 1 7 7 PRO HB2 H 1 2.313 0.020 . 2 . . . A 9 PRO HB2 . 18876 1 45 . 1 1 7 7 PRO HB3 H 1 1.932 0.020 . 2 . . . A 9 PRO HB3 . 18876 1 46 . 1 1 7 7 PRO HG2 H 1 2.036 0.020 . 2 . . . A 9 PRO HG2 . 18876 1 47 . 1 1 7 7 PRO HG3 H 1 1.981 0.020 . 2 . . . A 9 PRO HG3 . 18876 1 48 . 1 1 7 7 PRO HD2 H 1 3.874 0.020 . 2 . . . A 9 PRO HD2 . 18876 1 49 . 1 1 7 7 PRO HD3 H 1 3.687 0.020 . 2 . . . A 9 PRO HD3 . 18876 1 50 . 1 1 7 7 PRO CA C 13 63.289 0.400 . 1 . . . A 9 PRO CA . 18876 1 51 . 1 1 7 7 PRO CB C 13 32.259 0.400 . 1 . . . A 9 PRO CB . 18876 1 52 . 1 1 7 7 PRO CG C 13 27.471 0.400 . 1 . . . A 9 PRO CG . 18876 1 53 . 1 1 7 7 PRO CD C 13 51.119 0.400 . 1 . . . A 9 PRO CD . 18876 1 54 . 1 1 8 8 THR H H 1 8.366 0.020 . 1 . . . A 10 THR H . 18876 1 55 . 1 1 8 8 THR HA H 1 4.308 0.020 . 1 . . . A 10 THR HA . 18876 1 56 . 1 1 8 8 THR HB H 1 4.250 0.020 . 1 . . . A 10 THR HB . 18876 1 57 . 1 1 8 8 THR HG21 H 1 1.214 0.020 . 1 . . . A 10 THR HG21 . 18876 1 58 . 1 1 8 8 THR HG22 H 1 1.214 0.020 . 1 . . . A 10 THR HG22 . 18876 1 59 . 1 1 8 8 THR HG23 H 1 1.214 0.020 . 1 . . . A 10 THR HG23 . 18876 1 60 . 1 1 8 8 THR CA C 13 61.922 0.400 . 1 . . . A 10 THR CA . 18876 1 61 . 1 1 8 8 THR CB C 13 69.803 0.400 . 1 . . . A 10 THR CB . 18876 1 62 . 1 1 8 8 THR CG2 C 13 21.921 0.400 . 1 . . . A 10 THR CG2 . 18876 1 63 . 1 1 8 8 THR N N 15 114.464 0.400 . 1 . . . A 10 THR N . 18876 1 64 . 1 1 9 9 ASP H H 1 8.405 0.020 . 1 . . . A 11 ASP H . 18876 1 65 . 1 1 9 9 ASP HA H 1 4.596 0.020 . 1 . . . A 11 ASP HA . 18876 1 66 . 1 1 9 9 ASP HB2 H 1 2.689 0.020 . 1 . . . A 11 ASP HB2 . 18876 1 67 . 1 1 9 9 ASP HB3 H 1 2.689 0.020 . 1 . . . A 11 ASP HB3 . 18876 1 68 . 1 1 9 9 ASP CA C 13 54.476 0.400 . 1 . . . A 11 ASP CA . 18876 1 69 . 1 1 9 9 ASP CB C 13 41.106 0.400 . 1 . . . A 11 ASP CB . 18876 1 70 . 1 1 9 9 ASP N N 15 122.670 0.400 . 1 . . . A 11 ASP N . 18876 1 71 . 1 1 10 10 GLY H H 1 8.417 0.020 . 1 . . . A 12 GLY H . 18876 1 72 . 1 1 10 10 GLY HA2 H 1 3.913 0.020 . 2 . . . A 12 GLY HA2 . 18876 1 73 . 1 1 10 10 GLY HA3 H 1 3.920 0.020 . 2 . . . A 12 GLY HA3 . 18876 1 74 . 1 1 10 10 GLY CA C 13 45.317 0.400 . 1 . . . A 12 GLY CA . 18876 1 75 . 1 1 10 10 GLY N N 15 109.721 0.400 . 1 . . . A 12 GLY N . 18876 1 76 . 1 1 11 11 ALA H H 1 8.171 0.020 . 1 . . . A 13 ALA H . 18876 1 77 . 1 1 11 11 ALA HA H 1 4.321 0.020 . 1 . . . A 13 ALA HA . 18876 1 78 . 1 1 11 11 ALA HB1 H 1 1.370 0.020 . 1 . . . A 13 ALA HB1 . 18876 1 79 . 1 1 11 11 ALA HB2 H 1 1.370 0.020 . 1 . . . A 13 ALA HB2 . 18876 1 80 . 1 1 11 11 ALA HB3 H 1 1.370 0.020 . 1 . . . A 13 ALA HB3 . 18876 1 81 . 1 1 11 11 ALA CA C 13 52.513 0.400 . 1 . . . A 13 ALA CA . 18876 1 82 . 1 1 11 11 ALA CB C 13 19.270 0.400 . 1 . . . A 13 ALA CB . 18876 1 83 . 1 1 11 11 ALA N N 15 123.725 0.400 . 1 . . . A 13 ALA N . 18876 1 84 . 1 1 12 12 VAL H H 1 8.253 0.020 . 1 . . . A 14 VAL H . 18876 1 85 . 1 1 12 12 VAL HA H 1 4.180 0.020 . 1 . . . A 14 VAL HA . 18876 1 86 . 1 1 12 12 VAL HB H 1 2.084 0.020 . 1 . . . A 14 VAL HB . 18876 1 87 . 1 1 12 12 VAL HG11 H 1 0.942 0.020 . 2 . . . A 14 VAL HG11 . 18876 1 88 . 1 1 12 12 VAL HG12 H 1 0.942 0.020 . 2 . . . A 14 VAL HG12 . 18876 1 89 . 1 1 12 12 VAL HG13 H 1 0.942 0.020 . 2 . . . A 14 VAL HG13 . 18876 1 90 . 1 1 12 12 VAL HG21 H 1 0.948 0.020 . 2 . . . A 14 VAL HG21 . 18876 1 91 . 1 1 12 12 VAL HG22 H 1 0.948 0.020 . 2 . . . A 14 VAL HG22 . 18876 1 92 . 1 1 12 12 VAL HG23 H 1 0.948 0.020 . 2 . . . A 14 VAL HG23 . 18876 1 93 . 1 1 12 12 VAL CA C 13 62.268 0.400 . 1 . . . A 14 VAL CA . 18876 1 94 . 1 1 12 12 VAL CB C 13 32.799 0.400 . 1 . . . A 14 VAL CB . 18876 1 95 . 1 1 12 12 VAL CG1 C 13 21.265 0.400 . 1 . . . A 14 VAL CG1 . 18876 1 96 . 1 1 12 12 VAL CG2 C 13 20.787 0.400 . 1 . . . A 14 VAL CG2 . 18876 1 97 . 1 1 12 12 VAL N N 15 119.783 0.400 . 1 . . . A 14 VAL N . 18876 1 98 . 1 1 13 13 THR H H 1 8.399 0.020 . 1 . . . A 15 THR H . 18876 1 99 . 1 1 13 13 THR HA H 1 4.442 0.020 . 1 . . . A 15 THR HA . 18876 1 100 . 1 1 13 13 THR HB H 1 4.238 0.020 . 1 . . . A 15 THR HB . 18876 1 101 . 1 1 13 13 THR HG21 H 1 1.202 0.020 . 1 . . . A 15 THR HG21 . 18876 1 102 . 1 1 13 13 THR HG22 H 1 1.202 0.020 . 1 . . . A 15 THR HG22 . 18876 1 103 . 1 1 13 13 THR HG23 H 1 1.202 0.020 . 1 . . . A 15 THR HG23 . 18876 1 104 . 1 1 13 13 THR CA C 13 61.689 0.400 . 1 . . . A 15 THR CA . 18876 1 105 . 1 1 13 13 THR CB C 13 69.813 0.400 . 1 . . . A 15 THR CB . 18876 1 106 . 1 1 13 13 THR CG2 C 13 21.504 0.400 . 1 . . . A 15 THR CG2 . 18876 1 107 . 1 1 13 13 THR N N 15 118.563 0.400 . 1 . . . A 15 THR N . 18876 1 108 . 1 1 14 14 THR H H 1 8.265 0.020 . 1 . . . A 16 THR H . 18876 1 109 . 1 1 14 14 THR CA C 13 61.762 0.400 . 1 . . . A 16 THR CA . 18876 1 110 . 1 1 14 14 THR CB C 13 69.914 0.400 . 1 . . . A 16 THR CB . 18876 1 111 . 1 1 14 14 THR N N 15 116.582 0.400 . 1 . . . A 16 THR N . 18876 1 112 . 1 1 16 16 GLN HA H 1 4.330 0.020 . 1 . . . A 18 GLN HA . 18876 1 113 . 1 1 16 16 GLN HB2 H 1 2.072 0.020 . 2 . . . A 18 GLN HB2 . 18876 1 114 . 1 1 16 16 GLN HB3 H 1 1.927 0.020 . 2 . . . A 18 GLN HB3 . 18876 1 115 . 1 1 16 16 GLN HG2 H 1 2.321 0.020 . 1 . . . A 18 GLN HG2 . 18876 1 116 . 1 1 16 16 GLN HG3 H 1 2.321 0.020 . 1 . . . A 18 GLN HG3 . 18876 1 117 . 1 1 16 16 GLN CA C 13 55.618 0.400 . 1 . . . A 18 GLN CA . 18876 1 118 . 1 1 16 16 GLN CB C 13 29.551 0.400 . 1 . . . A 18 GLN CB . 18876 1 119 . 1 1 16 16 GLN CG C 13 33.813 0.400 . 1 . . . A 18 GLN CG . 18876 1 120 . 1 1 17 17 ILE H H 1 8.311 0.020 . 1 . . . A 19 ILE H . 18876 1 121 . 1 1 17 17 ILE HA H 1 4.391 0.020 . 1 . . . A 19 ILE HA . 18876 1 122 . 1 1 17 17 ILE HB H 1 1.822 0.020 . 1 . . . A 19 ILE HB . 18876 1 123 . 1 1 17 17 ILE HG12 H 1 1.476 0.020 . 2 . . . A 19 ILE HG12 . 18876 1 124 . 1 1 17 17 ILE HG13 H 1 1.151 0.020 . 2 . . . A 19 ILE HG13 . 18876 1 125 . 1 1 17 17 ILE HG21 H 1 0.926 0.020 . 1 . . . A 19 ILE HG21 . 18876 1 126 . 1 1 17 17 ILE HG22 H 1 0.926 0.020 . 1 . . . A 19 ILE HG22 . 18876 1 127 . 1 1 17 17 ILE HG23 H 1 0.926 0.020 . 1 . . . A 19 ILE HG23 . 18876 1 128 . 1 1 17 17 ILE HD11 H 1 0.829 0.020 . 1 . . . A 19 ILE HD11 . 18876 1 129 . 1 1 17 17 ILE HD12 H 1 0.829 0.020 . 1 . . . A 19 ILE HD12 . 18876 1 130 . 1 1 17 17 ILE HD13 H 1 0.829 0.020 . 1 . . . A 19 ILE HD13 . 18876 1 131 . 1 1 17 17 ILE CA C 13 58.717 0.400 . 1 . . . A 19 ILE CA . 18876 1 132 . 1 1 17 17 ILE CB C 13 38.465 0.400 . 1 . . . A 19 ILE CB . 18876 1 133 . 1 1 17 17 ILE CG1 C 13 26.984 0.400 . 1 . . . A 19 ILE CG1 . 18876 1 134 . 1 1 17 17 ILE CG2 C 13 16.900 0.400 . 1 . . . A 19 ILE CG2 . 18876 1 135 . 1 1 17 17 ILE CD1 C 13 12.609 0.400 . 1 . . . A 19 ILE CD1 . 18876 1 136 . 1 1 17 17 ILE N N 15 124.521 0.400 . 1 . . . A 19 ILE N . 18876 1 137 . 1 1 18 18 PRO HA H 1 4.383 0.020 . 1 . . . A 20 PRO HA . 18876 1 138 . 1 1 18 18 PRO HB2 H 1 2.304 0.020 . 2 . . . A 20 PRO HB2 . 18876 1 139 . 1 1 18 18 PRO HB3 H 1 1.892 0.020 . 2 . . . A 20 PRO HB3 . 18876 1 140 . 1 1 18 18 PRO HG2 H 1 2.022 0.020 . 2 . . . A 20 PRO HG2 . 18876 1 141 . 1 1 18 18 PRO HG3 H 1 1.983 0.020 . 2 . . . A 20 PRO HG3 . 18876 1 142 . 1 1 18 18 PRO HD2 H 1 3.890 0.020 . 2 . . . A 20 PRO HD2 . 18876 1 143 . 1 1 18 18 PRO HD3 H 1 3.645 0.020 . 2 . . . A 20 PRO HD3 . 18876 1 144 . 1 1 18 18 PRO CA C 13 63.079 0.400 . 1 . . . A 20 PRO CA . 18876 1 145 . 1 1 18 18 PRO CB C 13 32.211 0.400 . 1 . . . A 20 PRO CB . 18876 1 146 . 1 1 18 18 PRO CG C 13 27.462 0.400 . 1 . . . A 20 PRO CG . 18876 1 147 . 1 1 18 18 PRO CD C 13 51.111 0.400 . 1 . . . A 20 PRO CD . 18876 1 148 . 1 1 19 19 ALA H H 1 8.583 0.020 . 1 . . . A 21 ALA H . 18876 1 149 . 1 1 19 19 ALA HA H 1 4.251 0.020 . 1 . . . A 21 ALA HA . 18876 1 150 . 1 1 19 19 ALA HB1 H 1 1.405 0.020 . 1 . . . A 21 ALA HB1 . 18876 1 151 . 1 1 19 19 ALA HB2 H 1 1.405 0.020 . 1 . . . A 21 ALA HB2 . 18876 1 152 . 1 1 19 19 ALA HB3 H 1 1.405 0.020 . 1 . . . A 21 ALA HB3 . 18876 1 153 . 1 1 19 19 ALA CA C 13 52.951 0.400 . 1 . . . A 21 ALA CA . 18876 1 154 . 1 1 19 19 ALA CB C 13 19.009 0.400 . 1 . . . A 21 ALA CB . 18876 1 155 . 1 1 19 19 ALA N N 15 125.242 0.400 . 1 . . . A 21 ALA N . 18876 1 156 . 1 1 20 20 SER H H 1 8.399 0.020 . 1 . . . A 22 SER H . 18876 1 157 . 1 1 20 20 SER HA H 1 3.851 0.020 . 1 . . . A 22 SER HA . 18876 1 158 . 1 1 20 20 SER HB2 H 1 4.391 0.020 . 1 . . . A 22 SER HB2 . 18876 1 159 . 1 1 20 20 SER HB3 H 1 4.391 0.020 . 1 . . . A 22 SER HB3 . 18876 1 160 . 1 1 20 20 SER CA C 13 58.460 0.400 . 1 . . . A 22 SER CA . 18876 1 161 . 1 1 20 20 SER CB C 13 63.744 0.400 . 1 . . . A 22 SER CB . 18876 1 162 . 1 1 20 20 SER N N 15 114.635 0.400 . 1 . . . A 22 SER N . 18876 1 163 . 1 1 21 21 GLU H H 1 8.488 0.020 . 1 . . . A 23 GLU H . 18876 1 164 . 1 1 21 21 GLU HA H 1 4.313 0.020 . 1 . . . A 23 GLU HA . 18876 1 165 . 1 1 21 21 GLU HB2 H 1 2.102 0.020 . 2 . . . A 23 GLU HB2 . 18876 1 166 . 1 1 21 21 GLU HB3 H 1 1.935 0.020 . 2 . . . A 23 GLU HB3 . 18876 1 167 . 1 1 21 21 GLU CA C 13 56.549 0.400 . 1 . . . A 23 GLU CA . 18876 1 168 . 1 1 21 21 GLU CB C 13 29.947 0.400 . 1 . . . A 23 GLU CB . 18876 1 169 . 1 1 21 21 GLU N N 15 122.663 0.400 . 1 . . . A 23 GLU N . 18876 1 170 . 1 1 22 22 GLN H H 1 8.327 0.020 . 1 . . . A 24 GLN H . 18876 1 171 . 1 1 22 22 GLN CA C 13 56.388 0.400 . 1 . . . A 24 GLN CA . 18876 1 172 . 1 1 22 22 GLN CB C 13 29.579 0.400 . 1 . . . A 24 GLN CB . 18876 1 173 . 1 1 22 22 GLN N N 15 120.746 0.400 . 1 . . . A 24 GLN N . 18876 1 174 . 1 1 23 23 GLU CA C 13 56.318 0.400 . 1 . . . A 25 GLU CA . 18876 1 175 . 1 1 23 23 GLU CB C 13 30.668 0.400 . 1 . . . A 25 GLU CB . 18876 1 176 . 1 1 24 24 THR H H 1 8.368 0.020 . 1 . . . A 26 THR H . 18876 1 177 . 1 1 24 24 THR HA H 1 4.118 0.020 . 1 . . . A 26 THR HA . 18876 1 178 . 1 1 24 24 THR HB H 1 4.246 0.020 . 1 . . . A 26 THR HB . 18876 1 179 . 1 1 24 24 THR HG21 H 1 1.231 0.020 . 1 . . . A 26 THR HG21 . 18876 1 180 . 1 1 24 24 THR HG22 H 1 1.231 0.020 . 1 . . . A 26 THR HG22 . 18876 1 181 . 1 1 24 24 THR HG23 H 1 1.231 0.020 . 1 . . . A 26 THR HG23 . 18876 1 182 . 1 1 24 24 THR CA C 13 63.422 0.400 . 1 . . . A 26 THR CA . 18876 1 183 . 1 1 24 24 THR CB C 13 69.839 0.400 . 1 . . . A 26 THR CB . 18876 1 184 . 1 1 24 24 THR CG2 C 13 21.576 0.400 . 1 . . . A 26 THR CG2 . 18876 1 185 . 1 1 24 24 THR N N 15 118.733 0.400 . 1 . . . A 26 THR N . 18876 1 186 . 1 1 25 25 LEU H H 1 8.467 0.020 . 1 . . . A 27 LEU H . 18876 1 187 . 1 1 25 25 LEU HA H 1 4.759 0.020 . 1 . . . A 27 LEU HA . 18876 1 188 . 1 1 25 25 LEU HB2 H 1 1.726 0.020 . 2 . . . A 27 LEU HB2 . 18876 1 189 . 1 1 25 25 LEU HB3 H 1 1.239 0.020 . 2 . . . A 27 LEU HB3 . 18876 1 190 . 1 1 25 25 LEU HG H 1 1.638 0.020 . 1 . . . A 27 LEU HG . 18876 1 191 . 1 1 25 25 LEU HD11 H 1 0.848 0.020 . 2 . . . A 27 LEU HD11 . 18876 1 192 . 1 1 25 25 LEU HD12 H 1 0.848 0.020 . 2 . . . A 27 LEU HD12 . 18876 1 193 . 1 1 25 25 LEU HD13 H 1 0.848 0.020 . 2 . . . A 27 LEU HD13 . 18876 1 194 . 1 1 25 25 LEU HD21 H 1 0.724 0.020 . 2 . . . A 27 LEU HD21 . 18876 1 195 . 1 1 25 25 LEU HD22 H 1 0.724 0.020 . 2 . . . A 27 LEU HD22 . 18876 1 196 . 1 1 25 25 LEU HD23 H 1 0.724 0.020 . 2 . . . A 27 LEU HD23 . 18876 1 197 . 1 1 25 25 LEU CA C 13 53.926 0.400 . 1 . . . A 27 LEU CA . 18876 1 198 . 1 1 25 25 LEU CB C 13 43.175 0.400 . 1 . . . A 27 LEU CB . 18876 1 199 . 1 1 25 25 LEU CG C 13 26.885 0.400 . 1 . . . A 27 LEU CG . 18876 1 200 . 1 1 25 25 LEU CD1 C 13 25.336 0.400 . 1 . . . A 27 LEU CD1 . 18876 1 201 . 1 1 25 25 LEU CD2 C 13 23.470 0.400 . 1 . . . A 27 LEU CD2 . 18876 1 202 . 1 1 25 25 LEU N N 15 126.160 0.400 . 1 . . . A 27 LEU N . 18876 1 203 . 1 1 26 26 VAL H H 1 9.896 0.020 . 1 . . . A 28 VAL H . 18876 1 204 . 1 1 26 26 VAL HA H 1 4.722 0.020 . 1 . . . A 28 VAL HA . 18876 1 205 . 1 1 26 26 VAL HB H 1 2.198 0.020 . 1 . . . A 28 VAL HB . 18876 1 206 . 1 1 26 26 VAL HG11 H 1 0.892 0.020 . 2 . . . A 28 VAL HG11 . 18876 1 207 . 1 1 26 26 VAL HG12 H 1 0.892 0.020 . 2 . . . A 28 VAL HG12 . 18876 1 208 . 1 1 26 26 VAL HG13 H 1 0.892 0.020 . 2 . . . A 28 VAL HG13 . 18876 1 209 . 1 1 26 26 VAL HG21 H 1 0.742 0.020 . 2 . . . A 28 VAL HG21 . 18876 1 210 . 1 1 26 26 VAL HG22 H 1 0.742 0.020 . 2 . . . A 28 VAL HG22 . 18876 1 211 . 1 1 26 26 VAL HG23 H 1 0.742 0.020 . 2 . . . A 28 VAL HG23 . 18876 1 212 . 1 1 26 26 VAL CA C 13 59.080 0.400 . 1 . . . A 28 VAL CA . 18876 1 213 . 1 1 26 26 VAL CB C 13 34.392 0.400 . 1 . . . A 28 VAL CB . 18876 1 214 . 1 1 26 26 VAL CG1 C 13 21.148 0.400 . 1 . . . A 28 VAL CG1 . 18876 1 215 . 1 1 26 26 VAL CG2 C 13 18.412 0.400 . 1 . . . A 28 VAL CG2 . 18876 1 216 . 1 1 26 26 VAL N N 15 117.252 0.400 . 1 . . . A 28 VAL N . 18876 1 217 . 1 1 27 27 ARG H H 1 9.111 0.020 . 1 . . . A 29 ARG H . 18876 1 218 . 1 1 27 27 ARG HA H 1 5.218 0.020 . 1 . . . A 29 ARG HA . 18876 1 219 . 1 1 27 27 ARG HB2 H 1 2.001 0.020 . 2 . . . A 29 ARG HB2 . 18876 1 220 . 1 1 27 27 ARG HB3 H 1 1.751 0.020 . 2 . . . A 29 ARG HB3 . 18876 1 221 . 1 1 27 27 ARG HG2 H 1 1.646 0.020 . 2 . . . A 29 ARG HG2 . 18876 1 222 . 1 1 27 27 ARG HG3 H 1 1.497 0.020 . 2 . . . A 29 ARG HG3 . 18876 1 223 . 1 1 27 27 ARG HD2 H 1 3.308 0.020 . 2 . . . A 29 ARG HD2 . 18876 1 224 . 1 1 27 27 ARG HD3 H 1 3.053 0.020 . 2 . . . A 29 ARG HD3 . 18876 1 225 . 1 1 27 27 ARG CA C 13 52.544 0.400 . 1 . . . A 29 ARG CA . 18876 1 226 . 1 1 27 27 ARG CB C 13 32.751 0.400 . 1 . . . A 29 ARG CB . 18876 1 227 . 1 1 27 27 ARG CG C 13 27.584 0.400 . 1 . . . A 29 ARG CG . 18876 1 228 . 1 1 27 27 ARG CD C 13 43.363 0.400 . 1 . . . A 29 ARG CD . 18876 1 229 . 1 1 27 27 ARG N N 15 122.567 0.400 . 1 . . . A 29 ARG N . 18876 1 230 . 1 1 30 30 PRO HA H 1 4.094 0.020 . 1 . . . A 32 PRO HA . 18876 1 231 . 1 1 30 30 PRO HB2 H 1 2.388 0.020 . 2 . . . A 32 PRO HB2 . 18876 1 232 . 1 1 30 30 PRO HB3 H 1 1.924 0.020 . 2 . . . A 32 PRO HB3 . 18876 1 233 . 1 1 30 30 PRO HG2 H 1 2.204 0.020 . 1 . . . A 32 PRO HG2 . 18876 1 234 . 1 1 30 30 PRO CA C 13 67.170 0.400 . 1 . . . A 32 PRO CA . 18876 1 235 . 1 1 30 30 PRO CB C 13 32.741 0.400 . 1 . . . A 32 PRO CB . 18876 1 236 . 1 1 30 30 PRO CG C 13 27.739 0.400 . 1 . . . A 32 PRO CG . 18876 1 237 . 1 1 30 30 PRO CD C 13 50.285 0.400 . 1 . . . A 32 PRO CD . 18876 1 238 . 1 1 31 31 LEU H H 1 8.806 0.020 . 1 . . . A 33 LEU H . 18876 1 239 . 1 1 31 31 LEU HA H 1 4.208 0.020 . 1 . . . A 33 LEU HA . 18876 1 240 . 1 1 31 31 LEU HB2 H 1 1.801 0.020 . 2 . . . A 33 LEU HB2 . 18876 1 241 . 1 1 31 31 LEU HB3 H 1 1.511 0.020 . 2 . . . A 33 LEU HB3 . 18876 1 242 . 1 1 31 31 LEU HG H 1 1.653 0.020 . 1 . . . A 33 LEU HG . 18876 1 243 . 1 1 31 31 LEU HD11 H 1 0.923 0.020 . 2 . . . A 33 LEU HD11 . 18876 1 244 . 1 1 31 31 LEU HD12 H 1 0.923 0.020 . 2 . . . A 33 LEU HD12 . 18876 1 245 . 1 1 31 31 LEU HD13 H 1 0.923 0.020 . 2 . . . A 33 LEU HD13 . 18876 1 246 . 1 1 31 31 LEU HD21 H 1 0.831 0.020 . 2 . . . A 33 LEU HD21 . 18876 1 247 . 1 1 31 31 LEU HD22 H 1 0.831 0.020 . 2 . . . A 33 LEU HD22 . 18876 1 248 . 1 1 31 31 LEU HD23 H 1 0.831 0.020 . 2 . . . A 33 LEU HD23 . 18876 1 249 . 1 1 31 31 LEU CA C 13 58.299 0.400 . 1 . . . A 33 LEU CA . 18876 1 250 . 1 1 31 31 LEU CB C 13 41.232 0.400 . 1 . . . A 33 LEU CB . 18876 1 251 . 1 1 31 31 LEU CG C 13 27.168 0.400 . 1 . . . A 33 LEU CG . 18876 1 252 . 1 1 31 31 LEU CD1 C 13 24.589 0.400 . 1 . . . A 33 LEU CD1 . 18876 1 253 . 1 1 31 31 LEU CD2 C 13 23.469 0.400 . 1 . . . A 33 LEU CD2 . 18876 1 254 . 1 1 31 31 LEU N N 15 118.835 0.400 . 1 . . . A 33 LEU N . 18876 1 255 . 1 1 32 32 LEU H H 1 7.749 0.020 . 1 . . . A 34 LEU H . 18876 1 256 . 1 1 32 32 LEU HA H 1 4.055 0.020 . 1 . . . A 34 LEU HA . 18876 1 257 . 1 1 32 32 LEU HB2 H 1 1.402 0.020 . 1 . . . A 34 LEU HB2 . 18876 1 258 . 1 1 32 32 LEU HG H 1 1.449 0.020 . 1 . . . A 34 LEU HG . 18876 1 259 . 1 1 32 32 LEU HD11 H 1 0.870 0.020 . 2 . . . A 34 LEU HD11 . 18876 1 260 . 1 1 32 32 LEU HD12 H 1 0.870 0.020 . 2 . . . A 34 LEU HD12 . 18876 1 261 . 1 1 32 32 LEU HD13 H 1 0.870 0.020 . 2 . . . A 34 LEU HD13 . 18876 1 262 . 1 1 32 32 LEU HD21 H 1 0.839 0.020 . 2 . . . A 34 LEU HD21 . 18876 1 263 . 1 1 32 32 LEU HD22 H 1 0.839 0.020 . 2 . . . A 34 LEU HD22 . 18876 1 264 . 1 1 32 32 LEU HD23 H 1 0.839 0.020 . 2 . . . A 34 LEU HD23 . 18876 1 265 . 1 1 32 32 LEU CA C 13 57.006 0.400 . 1 . . . A 34 LEU CA . 18876 1 266 . 1 1 32 32 LEU CB C 13 40.439 0.400 . 1 . . . A 34 LEU CB . 18876 1 267 . 1 1 32 32 LEU CG C 13 27.443 0.400 . 1 . . . A 34 LEU CG . 18876 1 268 . 1 1 32 32 LEU CD1 C 13 26.077 0.400 . 1 . . . A 34 LEU CD1 . 18876 1 269 . 1 1 32 32 LEU CD2 C 13 22.927 0.400 . 1 . . . A 34 LEU CD2 . 18876 1 270 . 1 1 32 32 LEU N N 15 119.527 0.400 . 1 . . . A 34 LEU N . 18876 1 271 . 1 1 33 33 LEU H H 1 8.667 0.020 . 1 . . . A 35 LEU H . 18876 1 272 . 1 1 33 33 LEU HA H 1 3.830 0.020 . 1 . . . A 35 LEU HA . 18876 1 273 . 1 1 33 33 LEU HB2 H 1 1.932 0.020 . 2 . . . A 35 LEU HB2 . 18876 1 274 . 1 1 33 33 LEU HB3 H 1 1.396 0.020 . 2 . . . A 35 LEU HB3 . 18876 1 275 . 1 1 33 33 LEU HG H 1 1.582 0.020 . 1 . . . A 35 LEU HG . 18876 1 276 . 1 1 33 33 LEU HD11 H 1 1.040 0.020 . 2 . . . A 35 LEU HD11 . 18876 1 277 . 1 1 33 33 LEU HD12 H 1 1.040 0.020 . 2 . . . A 35 LEU HD12 . 18876 1 278 . 1 1 33 33 LEU HD13 H 1 1.040 0.020 . 2 . . . A 35 LEU HD13 . 18876 1 279 . 1 1 33 33 LEU HD21 H 1 1.179 0.020 . 2 . . . A 35 LEU HD21 . 18876 1 280 . 1 1 33 33 LEU HD22 H 1 1.179 0.020 . 2 . . . A 35 LEU HD22 . 18876 1 281 . 1 1 33 33 LEU HD23 H 1 1.179 0.020 . 2 . . . A 35 LEU HD23 . 18876 1 282 . 1 1 33 33 LEU CA C 13 58.219 0.400 . 1 . . . A 35 LEU CA . 18876 1 283 . 1 1 33 33 LEU CB C 13 41.507 0.400 . 1 . . . A 35 LEU CB . 18876 1 284 . 1 1 33 33 LEU CG C 13 26.569 0.400 . 1 . . . A 35 LEU CG . 18876 1 285 . 1 1 33 33 LEU CD1 C 13 25.292 0.400 . 1 . . . A 35 LEU CD1 . 18876 1 286 . 1 1 33 33 LEU CD2 C 13 23.934 0.400 . 1 . . . A 35 LEU CD2 . 18876 1 287 . 1 1 33 33 LEU N N 15 119.928 0.400 . 1 . . . A 35 LEU N . 18876 1 288 . 1 1 34 34 LYS H H 1 7.953 0.020 . 1 . . . A 36 LYS H . 18876 1 289 . 1 1 34 34 LYS HA H 1 3.848 0.020 . 1 . . . A 36 LYS HA . 18876 1 290 . 1 1 34 34 LYS HB2 H 1 2.074 0.020 . 2 . . . A 36 LYS HB2 . 18876 1 291 . 1 1 34 34 LYS HB3 H 1 1.904 0.020 . 2 . . . A 36 LYS HB3 . 18876 1 292 . 1 1 34 34 LYS HG2 H 1 1.516 0.020 . 2 . . . A 36 LYS HG2 . 18876 1 293 . 1 1 34 34 LYS HG3 H 1 1.264 0.020 . 2 . . . A 36 LYS HG3 . 18876 1 294 . 1 1 34 34 LYS HD2 H 1 2.943 0.020 . 1 . . . A 36 LYS HD2 . 18876 1 295 . 1 1 34 34 LYS HD3 H 1 2.943 0.020 . 1 . . . A 36 LYS HD3 . 18876 1 296 . 1 1 34 34 LYS CA C 13 59.677 0.400 . 1 . . . A 36 LYS CA . 18876 1 297 . 1 1 34 34 LYS CB C 13 32.300 0.400 . 1 . . . A 36 LYS CB . 18876 1 298 . 1 1 34 34 LYS CG C 13 24.901 0.400 . 1 . . . A 36 LYS CG . 18876 1 299 . 1 1 34 34 LYS CD C 13 29.859 0.400 . 1 . . . A 36 LYS CD . 18876 1 300 . 1 1 34 34 LYS CE C 13 41.897 0.400 . 1 . . . A 36 LYS CE . 18876 1 301 . 1 1 34 34 LYS N N 15 118.343 0.400 . 1 . . . A 36 LYS N . 18876 1 302 . 1 1 35 35 LEU H H 1 7.523 0.020 . 1 . . . A 37 LEU H . 18876 1 303 . 1 1 35 35 LEU HA H 1 3.706 0.020 . 1 . . . A 37 LEU HA . 18876 1 304 . 1 1 35 35 LEU HB2 H 1 1.492 0.020 . 1 . . . A 37 LEU HB2 . 18876 1 305 . 1 1 35 35 LEU HB3 H 1 1.492 0.020 . 1 . . . A 37 LEU HB3 . 18876 1 306 . 1 1 35 35 LEU HG H 1 0.861 0.020 . 1 . . . A 37 LEU HG . 18876 1 307 . 1 1 35 35 LEU HD11 H 1 0.222 0.020 . 2 . . . A 37 LEU HD11 . 18876 1 308 . 1 1 35 35 LEU HD12 H 1 0.222 0.020 . 2 . . . A 37 LEU HD12 . 18876 1 309 . 1 1 35 35 LEU HD13 H 1 0.222 0.020 . 2 . . . A 37 LEU HD13 . 18876 1 310 . 1 1 35 35 LEU HD21 H 1 0.050 0.020 . 2 . . . A 37 LEU HD21 . 18876 1 311 . 1 1 35 35 LEU HD22 H 1 0.050 0.020 . 2 . . . A 37 LEU HD22 . 18876 1 312 . 1 1 35 35 LEU HD23 H 1 0.050 0.020 . 2 . . . A 37 LEU HD23 . 18876 1 313 . 1 1 35 35 LEU CA C 13 59.875 0.400 . 1 . . . A 37 LEU CA . 18876 1 314 . 1 1 35 35 LEU CB C 13 41.170 0.400 . 1 . . . A 37 LEU CB . 18876 1 315 . 1 1 35 35 LEU CG C 13 27.428 0.400 . 1 . . . A 37 LEU CG . 18876 1 316 . 1 1 35 35 LEU CD1 C 13 24.597 0.400 . 1 . . . A 37 LEU CD1 . 18876 1 317 . 1 1 35 35 LEU CD2 C 13 27.494 0.400 . 1 . . . A 37 LEU CD2 . 18876 1 318 . 1 1 35 35 LEU N N 15 121.579 0.400 . 1 . . . A 37 LEU N . 18876 1 319 . 1 1 36 36 LEU H H 1 8.376 0.020 . 1 . . . A 38 LEU H . 18876 1 320 . 1 1 36 36 LEU HA H 1 3.591 0.020 . 1 . . . A 38 LEU HA . 18876 1 321 . 1 1 36 36 LEU HB2 H 1 1.676 0.020 . 2 . . . A 38 LEU HB2 . 18876 1 322 . 1 1 36 36 LEU HB3 H 1 0.901 0.020 . 2 . . . A 38 LEU HB3 . 18876 1 323 . 1 1 36 36 LEU HG H 1 1.836 0.020 . 1 . . . A 38 LEU HG . 18876 1 324 . 1 1 36 36 LEU HD11 H 1 0.555 0.020 . 2 . . . A 38 LEU HD11 . 18876 1 325 . 1 1 36 36 LEU HD12 H 1 0.555 0.020 . 2 . . . A 38 LEU HD12 . 18876 1 326 . 1 1 36 36 LEU HD13 H 1 0.555 0.020 . 2 . . . A 38 LEU HD13 . 18876 1 327 . 1 1 36 36 LEU HD21 H 1 0.225 0.020 . 2 . . . A 38 LEU HD21 . 18876 1 328 . 1 1 36 36 LEU HD22 H 1 0.225 0.020 . 2 . . . A 38 LEU HD22 . 18876 1 329 . 1 1 36 36 LEU HD23 H 1 0.225 0.020 . 2 . . . A 38 LEU HD23 . 18876 1 330 . 1 1 36 36 LEU CA C 13 58.117 0.400 . 1 . . . A 38 LEU CA . 18876 1 331 . 1 1 36 36 LEU CB C 13 39.584 0.400 . 1 . . . A 38 LEU CB . 18876 1 332 . 1 1 36 36 LEU CG C 13 26.009 0.400 . 1 . . . A 38 LEU CG . 18876 1 333 . 1 1 36 36 LEU CD1 C 13 22.831 0.400 . 1 . . . A 38 LEU CD1 . 18876 1 334 . 1 1 36 36 LEU CD2 C 13 25.700 0.400 . 1 . . . A 38 LEU CD2 . 18876 1 335 . 1 1 36 36 LEU N N 15 120.817 0.400 . 1 . . . A 38 LEU N . 18876 1 336 . 1 1 37 37 LYS H H 1 8.825 0.020 . 1 . . . A 39 LYS H . 18876 1 337 . 1 1 37 37 LYS HA H 1 4.305 0.020 . 1 . . . A 39 LYS HA . 18876 1 338 . 1 1 37 37 LYS HB2 H 1 1.828 0.020 . 1 . . . A 39 LYS HB2 . 18876 1 339 . 1 1 37 37 LYS HB3 H 1 1.828 0.020 . 1 . . . A 39 LYS HB3 . 18876 1 340 . 1 1 37 37 LYS CA C 13 59.290 0.400 . 1 . . . A 39 LYS CA . 18876 1 341 . 1 1 37 37 LYS CB C 13 32.095 0.400 . 1 . . . A 39 LYS CB . 18876 1 342 . 1 1 37 37 LYS CG C 13 25.883 0.400 . 1 . . . A 39 LYS CG . 18876 1 343 . 1 1 37 37 LYS CD C 13 29.585 0.400 . 1 . . . A 39 LYS CD . 18876 1 344 . 1 1 37 37 LYS N N 15 117.615 0.400 . 1 . . . A 39 LYS N . 18876 1 345 . 1 1 38 38 SER H H 1 7.968 0.020 . 1 . . . A 40 SER H . 18876 1 346 . 1 1 38 38 SER HA H 1 4.417 0.020 . 1 . . . A 40 SER HA . 18876 1 347 . 1 1 38 38 SER HB2 H 1 4.167 0.020 . 1 . . . A 40 SER HB2 . 18876 1 348 . 1 1 38 38 SER HB3 H 1 4.167 0.020 . 1 . . . A 40 SER HB3 . 18876 1 349 . 1 1 38 38 SER CA C 13 61.764 0.400 . 1 . . . A 40 SER CA . 18876 1 350 . 1 1 38 38 SER CB C 13 62.840 0.400 . 1 . . . A 40 SER CB . 18876 1 351 . 1 1 38 38 SER N N 15 117.257 0.400 . 1 . . . A 40 SER N . 18876 1 352 . 1 1 39 39 VAL H H 1 7.257 0.020 . 1 . . . A 41 VAL H . 18876 1 353 . 1 1 39 39 VAL HA H 1 4.797 0.020 . 1 . . . A 41 VAL HA . 18876 1 354 . 1 1 39 39 VAL HB H 1 2.767 0.020 . 1 . . . A 41 VAL HB . 18876 1 355 . 1 1 39 39 VAL HG11 H 1 1.295 0.020 . 2 . . . A 41 VAL HG11 . 18876 1 356 . 1 1 39 39 VAL HG12 H 1 1.295 0.020 . 2 . . . A 41 VAL HG12 . 18876 1 357 . 1 1 39 39 VAL HG13 H 1 1.295 0.020 . 2 . . . A 41 VAL HG13 . 18876 1 358 . 1 1 39 39 VAL HG21 H 1 1.053 0.020 . 2 . . . A 41 VAL HG21 . 18876 1 359 . 1 1 39 39 VAL HG22 H 1 1.053 0.020 . 2 . . . A 41 VAL HG22 . 18876 1 360 . 1 1 39 39 VAL HG23 H 1 1.053 0.020 . 2 . . . A 41 VAL HG23 . 18876 1 361 . 1 1 39 39 VAL CA C 13 60.545 0.400 . 1 . . . A 41 VAL CA . 18876 1 362 . 1 1 39 39 VAL CB C 13 30.873 0.400 . 1 . . . A 41 VAL CB . 18876 1 363 . 1 1 39 39 VAL CG1 C 13 19.742 0.400 . 1 . . . A 41 VAL CG1 . 18876 1 364 . 1 1 39 39 VAL CG2 C 13 22.374 0.400 . 1 . . . A 41 VAL CG2 . 18876 1 365 . 1 1 39 39 VAL N N 15 112.959 0.400 . 1 . . . A 41 VAL N . 18876 1 366 . 1 1 40 40 GLY H H 1 7.489 0.020 . 1 . . . A 42 GLY H . 18876 1 367 . 1 1 40 40 GLY HA2 H 1 4.494 0.020 . 2 . . . A 42 GLY HA2 . 18876 1 368 . 1 1 40 40 GLY HA3 H 1 3.726 0.020 . 2 . . . A 42 GLY HA3 . 18876 1 369 . 1 1 40 40 GLY CA C 13 45.513 0.400 . 1 . . . A 42 GLY CA . 18876 1 370 . 1 1 40 40 GLY N N 15 106.007 0.400 . 1 . . . A 42 GLY N . 18876 1 371 . 1 1 41 41 ALA H H 1 7.285 0.020 . 1 . . . A 43 ALA H . 18876 1 372 . 1 1 41 41 ALA HA H 1 4.005 0.020 . 1 . . . A 43 ALA HA . 18876 1 373 . 1 1 41 41 ALA HB1 H 1 0.577 0.020 . 1 . . . A 43 ALA HB1 . 18876 1 374 . 1 1 41 41 ALA HB2 H 1 0.577 0.020 . 1 . . . A 43 ALA HB2 . 18876 1 375 . 1 1 41 41 ALA HB3 H 1 0.577 0.020 . 1 . . . A 43 ALA HB3 . 18876 1 376 . 1 1 41 41 ALA CA C 13 53.438 0.400 . 1 . . . A 43 ALA CA . 18876 1 377 . 1 1 41 41 ALA CB C 13 18.598 0.400 . 1 . . . A 43 ALA CB . 18876 1 378 . 1 1 41 41 ALA N N 15 125.114 0.400 . 1 . . . A 43 ALA N . 18876 1 379 . 1 1 42 42 GLN H H 1 8.881 0.020 . 1 . . . A 44 GLN H . 18876 1 380 . 1 1 42 42 GLN HA H 1 4.596 0.020 . 1 . . . A 44 GLN HA . 18876 1 381 . 1 1 42 42 GLN HB2 H 1 2.350 0.020 . 2 . . . A 44 GLN HB2 . 18876 1 382 . 1 1 42 42 GLN HB3 H 1 1.817 0.020 . 2 . . . A 44 GLN HB3 . 18876 1 383 . 1 1 42 42 GLN HG2 H 1 2.446 0.020 . 2 . . . A 44 GLN HG2 . 18876 1 384 . 1 1 42 42 GLN HG3 H 1 2.340 0.020 . 2 . . . A 44 GLN HG3 . 18876 1 385 . 1 1 42 42 GLN CA C 13 55.699 0.400 . 1 . . . A 44 GLN CA . 18876 1 386 . 1 1 42 42 GLN CB C 13 31.343 0.400 . 1 . . . A 44 GLN CB . 18876 1 387 . 1 1 42 42 GLN CG C 13 33.560 0.400 . 1 . . . A 44 GLN CG . 18876 1 388 . 1 1 42 42 GLN N N 15 117.389 0.400 . 1 . . . A 44 GLN N . 18876 1 389 . 1 1 43 43 LYS H H 1 7.383 0.020 . 1 . . . A 45 LYS H . 18876 1 390 . 1 1 43 43 LYS HA H 1 4.712 0.020 . 1 . . . A 45 LYS HA . 18876 1 391 . 1 1 43 43 LYS HB2 H 1 1.740 0.020 . 2 . . . A 45 LYS HB2 . 18876 1 392 . 1 1 43 43 LYS HB3 H 1 1.374 0.020 . 2 . . . A 45 LYS HB3 . 18876 1 393 . 1 1 43 43 LYS HG2 H 1 1.266 0.020 . 2 . . . A 45 LYS HG2 . 18876 1 394 . 1 1 43 43 LYS HG3 H 1 1.132 0.020 . 2 . . . A 45 LYS HG3 . 18876 1 395 . 1 1 43 43 LYS HE2 H 1 2.903 0.020 . 1 . . . A 45 LYS HE2 . 18876 1 396 . 1 1 43 43 LYS HE3 H 1 2.903 0.020 . 1 . . . A 45 LYS HE3 . 18876 1 397 . 1 1 43 43 LYS CA C 13 55.501 0.400 . 1 . . . A 45 LYS CA . 18876 1 398 . 1 1 43 43 LYS CB C 13 35.143 0.400 . 1 . . . A 45 LYS CB . 18876 1 399 . 1 1 43 43 LYS CG C 13 24.437 0.400 . 1 . . . A 45 LYS CG . 18876 1 400 . 1 1 43 43 LYS CD C 13 29.720 0.400 . 1 . . . A 45 LYS CD . 18876 1 401 . 1 1 43 43 LYS CE C 13 41.598 0.400 . 1 . . . A 45 LYS CE . 18876 1 402 . 1 1 43 43 LYS N N 15 117.973 0.400 . 1 . . . A 45 LYS N . 18876 1 403 . 1 1 44 44 ASP HA H 1 4.980 0.020 . 1 . . . A 46 ASP HA . 18876 1 404 . 1 1 44 44 ASP HB2 H 1 2.723 0.020 . 2 . . . A 46 ASP HB2 . 18876 1 405 . 1 1 44 44 ASP HB3 H 1 2.647 0.020 . 2 . . . A 46 ASP HB3 . 18876 1 406 . 1 1 44 44 ASP CA C 13 55.167 0.400 . 1 . . . A 46 ASP CA . 18876 1 407 . 1 1 44 44 ASP CB C 13 42.182 0.400 . 1 . . . A 46 ASP CB . 18876 1 408 . 1 1 45 45 THR H H 1 6.966 0.020 . 1 . . . A 47 THR H . 18876 1 409 . 1 1 45 45 THR HA H 1 5.025 0.020 . 1 . . . A 47 THR HA . 18876 1 410 . 1 1 45 45 THR HB H 1 3.996 0.020 . 1 . . . A 47 THR HB . 18876 1 411 . 1 1 45 45 THR HG21 H 1 1.074 0.020 . 1 . . . A 47 THR HG21 . 18876 1 412 . 1 1 45 45 THR HG22 H 1 1.074 0.020 . 1 . . . A 47 THR HG22 . 18876 1 413 . 1 1 45 45 THR HG23 H 1 1.074 0.020 . 1 . . . A 47 THR HG23 . 18876 1 414 . 1 1 45 45 THR CA C 13 59.584 0.400 . 1 . . . A 47 THR CA . 18876 1 415 . 1 1 45 45 THR CB C 13 71.849 0.400 . 1 . . . A 47 THR CB . 18876 1 416 . 1 1 45 45 THR CG2 C 13 21.940 0.400 . 1 . . . A 47 THR CG2 . 18876 1 417 . 1 1 45 45 THR N N 15 109.235 0.400 . 1 . . . A 47 THR N . 18876 1 418 . 1 1 46 46 TYR H H 1 8.635 0.020 . 1 . . . A 48 TYR H . 18876 1 419 . 1 1 46 46 TYR HA H 1 4.924 0.020 . 1 . . . A 48 TYR HA . 18876 1 420 . 1 1 46 46 TYR HB2 H 1 3.652 0.020 . 2 . . . A 48 TYR HB2 . 18876 1 421 . 1 1 46 46 TYR HB3 H 1 2.135 0.020 . 2 . . . A 48 TYR HB3 . 18876 1 422 . 1 1 46 46 TYR CA C 13 57.810 0.400 . 1 . . . A 48 TYR CA . 18876 1 423 . 1 1 46 46 TYR CB C 13 46.248 0.400 . 1 . . . A 48 TYR CB . 18876 1 424 . 1 1 46 46 TYR N N 15 117.638 0.400 . 1 . . . A 48 TYR N . 18876 1 425 . 1 1 47 47 THR H H 1 9.277 0.020 . 1 . . . A 49 THR H . 18876 1 426 . 1 1 47 47 THR HA H 1 5.112 0.020 . 1 . . . A 49 THR HA . 18876 1 427 . 1 1 47 47 THR HB H 1 4.806 0.020 . 1 . . . A 49 THR HB . 18876 1 428 . 1 1 47 47 THR HG21 H 1 1.274 0.020 . 1 . . . A 49 THR HG21 . 18876 1 429 . 1 1 47 47 THR HG22 H 1 1.274 0.020 . 1 . . . A 49 THR HG22 . 18876 1 430 . 1 1 47 47 THR HG23 H 1 1.274 0.020 . 1 . . . A 49 THR HG23 . 18876 1 431 . 1 1 47 47 THR CA C 13 60.730 0.400 . 1 . . . A 49 THR CA . 18876 1 432 . 1 1 47 47 THR CB C 13 70.803 0.400 . 1 . . . A 49 THR CB . 18876 1 433 . 1 1 47 47 THR CG2 C 13 22.449 0.400 . 1 . . . A 49 THR CG2 . 18876 1 434 . 1 1 47 47 THR N N 15 111.656 0.400 . 1 . . . A 49 THR N . 18876 1 435 . 1 1 48 48 MET H H 1 9.554 0.020 . 1 . . . A 50 MET H . 18876 1 436 . 1 1 48 48 MET HA H 1 4.481 0.020 . 1 . . . A 50 MET HA . 18876 1 437 . 1 1 48 48 MET HE1 H 1 1.891 0.020 . 1 . . . A 50 MET HE1 . 18876 1 438 . 1 1 48 48 MET HE2 H 1 1.891 0.020 . 1 . . . A 50 MET HE2 . 18876 1 439 . 1 1 48 48 MET HE3 H 1 1.891 0.020 . 1 . . . A 50 MET HE3 . 18876 1 440 . 1 1 48 48 MET CA C 13 57.190 0.400 . 1 . . . A 50 MET CA . 18876 1 441 . 1 1 48 48 MET CB C 13 29.949 0.400 . 1 . . . A 50 MET CB . 18876 1 442 . 1 1 48 48 MET CE C 13 16.293 0.400 . 1 . . . A 50 MET CE . 18876 1 443 . 1 1 48 48 MET N N 15 121.950 0.400 . 1 . . . A 50 MET N . 18876 1 444 . 1 1 49 49 LYS H H 1 8.478 0.020 . 1 . . . A 51 LYS H . 18876 1 445 . 1 1 49 49 LYS HA H 1 3.965 0.020 . 1 . . . A 51 LYS HA . 18876 1 446 . 1 1 49 49 LYS HB2 H 1 1.884 0.020 . 2 . . . A 51 LYS HB2 . 18876 1 447 . 1 1 49 49 LYS HB3 H 1 1.827 0.020 . 2 . . . A 51 LYS HB3 . 18876 1 448 . 1 1 49 49 LYS HG2 H 1 1.575 0.020 . 2 . . . A 51 LYS HG2 . 18876 1 449 . 1 1 49 49 LYS HG3 H 1 1.419 0.020 . 2 . . . A 51 LYS HG3 . 18876 1 450 . 1 1 49 49 LYS CA C 13 60.249 0.400 . 1 . . . A 51 LYS CA . 18876 1 451 . 1 1 49 49 LYS CB C 13 32.595 0.400 . 1 . . . A 51 LYS CB . 18876 1 452 . 1 1 49 49 LYS CG C 13 25.448 0.400 . 1 . . . A 51 LYS CG . 18876 1 453 . 1 1 49 49 LYS CD C 13 29.440 0.400 . 1 . . . A 51 LYS CD . 18876 1 454 . 1 1 49 49 LYS N N 15 118.032 0.400 . 1 . . . A 51 LYS N . 18876 1 455 . 1 1 50 50 GLU H H 1 8.047 0.020 . 1 . . . A 52 GLU H . 18876 1 456 . 1 1 50 50 GLU CA C 13 59.621 0.400 . 1 . . . A 52 GLU CA . 18876 1 457 . 1 1 50 50 GLU CB C 13 31.733 0.400 . 1 . . . A 52 GLU CB . 18876 1 458 . 1 1 50 50 GLU N N 15 120.286 0.400 . 1 . . . A 52 GLU N . 18876 1 459 . 1 1 51 51 VAL H H 1 8.383 0.020 . 1 . . . A 53 VAL H . 18876 1 460 . 1 1 51 51 VAL HA H 1 3.388 0.020 . 1 . . . A 53 VAL HA . 18876 1 461 . 1 1 51 51 VAL HB H 1 2.488 0.020 . 1 . . . A 53 VAL HB . 18876 1 462 . 1 1 51 51 VAL HG11 H 1 0.842 0.020 . 2 . . . A 53 VAL HG11 . 18876 1 463 . 1 1 51 51 VAL HG12 H 1 0.842 0.020 . 2 . . . A 53 VAL HG12 . 18876 1 464 . 1 1 51 51 VAL HG13 H 1 0.842 0.020 . 2 . . . A 53 VAL HG13 . 18876 1 465 . 1 1 51 51 VAL HG21 H 1 0.852 0.020 . 2 . . . A 53 VAL HG21 . 18876 1 466 . 1 1 51 51 VAL HG22 H 1 0.852 0.020 . 2 . . . A 53 VAL HG22 . 18876 1 467 . 1 1 51 51 VAL HG23 H 1 0.852 0.020 . 2 . . . A 53 VAL HG23 . 18876 1 468 . 1 1 51 51 VAL CA C 13 68.130 0.400 . 1 . . . A 53 VAL CA . 18876 1 469 . 1 1 51 51 VAL CB C 13 31.205 0.400 . 1 . . . A 53 VAL CB . 18876 1 470 . 1 1 51 51 VAL CG1 C 13 22.658 0.400 . 1 . . . A 53 VAL CG1 . 18876 1 471 . 1 1 51 51 VAL CG2 C 13 21.693 0.400 . 1 . . . A 53 VAL CG2 . 18876 1 472 . 1 1 51 51 VAL N N 15 119.733 0.400 . 1 . . . A 53 VAL N . 18876 1 473 . 1 1 52 52 LEU H H 1 8.612 0.020 . 1 . . . A 54 LEU H . 18876 1 474 . 1 1 52 52 LEU HG H 1 1.746 0.020 . 1 . . . A 54 LEU HG . 18876 1 475 . 1 1 52 52 LEU HD11 H 1 0.571 0.020 . 2 . . . A 54 LEU HD11 . 18876 1 476 . 1 1 52 52 LEU HD12 H 1 0.571 0.020 . 2 . . . A 54 LEU HD12 . 18876 1 477 . 1 1 52 52 LEU HD13 H 1 0.571 0.020 . 2 . . . A 54 LEU HD13 . 18876 1 478 . 1 1 52 52 LEU HD21 H 1 0.722 0.020 . 2 . . . A 54 LEU HD21 . 18876 1 479 . 1 1 52 52 LEU HD22 H 1 0.722 0.020 . 2 . . . A 54 LEU HD22 . 18876 1 480 . 1 1 52 52 LEU HD23 H 1 0.722 0.020 . 2 . . . A 54 LEU HD23 . 18876 1 481 . 1 1 52 52 LEU CA C 13 58.490 0.400 . 1 . . . A 54 LEU CA . 18876 1 482 . 1 1 52 52 LEU CB C 13 41.216 0.400 . 1 . . . A 54 LEU CB . 18876 1 483 . 1 1 52 52 LEU CG C 13 27.139 0.400 . 1 . . . A 54 LEU CG . 18876 1 484 . 1 1 52 52 LEU CD1 C 13 23.018 0.400 . 1 . . . A 54 LEU CD1 . 18876 1 485 . 1 1 52 52 LEU CD2 C 13 25.811 0.400 . 1 . . . A 54 LEU CD2 . 18876 1 486 . 1 1 52 52 LEU N N 15 117.367 0.400 . 1 . . . A 54 LEU N . 18876 1 487 . 1 1 53 53 PHE H H 1 8.427 0.020 . 1 . . . A 55 PHE H . 18876 1 488 . 1 1 53 53 PHE HA H 1 4.433 0.020 . 1 . . . A 55 PHE HA . 18876 1 489 . 1 1 53 53 PHE HB2 H 1 3.286 0.020 . 2 . . . A 55 PHE HB2 . 18876 1 490 . 1 1 53 53 PHE HB3 H 1 3.116 0.020 . 2 . . . A 55 PHE HB3 . 18876 1 491 . 1 1 53 53 PHE CA C 13 61.653 0.400 . 1 . . . A 55 PHE CA . 18876 1 492 . 1 1 53 53 PHE CB C 13 38.700 0.400 . 1 . . . A 55 PHE CB . 18876 1 493 . 1 1 53 53 PHE N N 15 122.765 0.400 . 1 . . . A 55 PHE N . 18876 1 494 . 1 1 54 54 TYR H H 1 8.628 0.020 . 1 . . . A 56 TYR H . 18876 1 495 . 1 1 54 54 TYR HA H 1 3.942 0.020 . 1 . . . A 56 TYR HA . 18876 1 496 . 1 1 54 54 TYR HB2 H 1 2.969 0.020 . 2 . . . A 56 TYR HB2 . 18876 1 497 . 1 1 54 54 TYR HB3 H 1 2.799 0.020 . 2 . . . A 56 TYR HB3 . 18876 1 498 . 1 1 54 54 TYR HD1 H 1 7.187 0.020 . 1 . . . A 56 TYR HD1 . 18876 1 499 . 1 1 54 54 TYR HD2 H 1 7.187 0.020 . 1 . . . A 56 TYR HD2 . 18876 1 500 . 1 1 54 54 TYR HE1 H 1 7.041 0.020 . 1 . . . A 56 TYR HE1 . 18876 1 501 . 1 1 54 54 TYR HE2 H 1 7.041 0.020 . 1 . . . A 56 TYR HE2 . 18876 1 502 . 1 1 54 54 TYR CA C 13 62.948 0.400 . 1 . . . A 56 TYR CA . 18876 1 503 . 1 1 54 54 TYR CB C 13 38.727 0.400 . 1 . . . A 56 TYR CB . 18876 1 504 . 1 1 54 54 TYR CD1 C 13 133.298 0.400 . 1 . . . A 56 TYR CD1 . 18876 1 505 . 1 1 54 54 TYR N N 15 119.383 0.400 . 1 . . . A 56 TYR N . 18876 1 506 . 1 1 55 55 LEU H H 1 8.866 0.020 . 1 . . . A 57 LEU H . 18876 1 507 . 1 1 55 55 LEU HA H 1 3.944 0.020 . 1 . . . A 57 LEU HA . 18876 1 508 . 1 1 55 55 LEU HB2 H 1 1.921 0.020 . 2 . . . A 57 LEU HB2 . 18876 1 509 . 1 1 55 55 LEU HB3 H 1 1.814 0.020 . 2 . . . A 57 LEU HB3 . 18876 1 510 . 1 1 55 55 LEU HG H 1 1.760 0.020 . 1 . . . A 57 LEU HG . 18876 1 511 . 1 1 55 55 LEU HD11 H 1 0.869 0.020 . 2 . . . A 57 LEU HD11 . 18876 1 512 . 1 1 55 55 LEU HD12 H 1 0.869 0.020 . 2 . . . A 57 LEU HD12 . 18876 1 513 . 1 1 55 55 LEU HD13 H 1 0.869 0.020 . 2 . . . A 57 LEU HD13 . 18876 1 514 . 1 1 55 55 LEU HD21 H 1 0.842 0.020 . 2 . . . A 57 LEU HD21 . 18876 1 515 . 1 1 55 55 LEU HD22 H 1 0.842 0.020 . 2 . . . A 57 LEU HD22 . 18876 1 516 . 1 1 55 55 LEU HD23 H 1 0.842 0.020 . 2 . . . A 57 LEU HD23 . 18876 1 517 . 1 1 55 55 LEU CA C 13 58.326 0.400 . 1 . . . A 57 LEU CA . 18876 1 518 . 1 1 55 55 LEU CB C 13 42.771 0.400 . 1 . . . A 57 LEU CB . 18876 1 519 . 1 1 55 55 LEU CG C 13 27.087 0.400 . 1 . . . A 57 LEU CG . 18876 1 520 . 1 1 55 55 LEU CD1 C 13 25.272 0.400 . 1 . . . A 57 LEU CD1 . 18876 1 521 . 1 1 55 55 LEU CD2 C 13 25.371 0.400 . 1 . . . A 57 LEU CD2 . 18876 1 522 . 1 1 55 55 LEU N N 15 120.850 0.400 . 1 . . . A 57 LEU N . 18876 1 523 . 1 1 56 56 GLY H H 1 8.354 0.020 . 1 . . . A 58 GLY H . 18876 1 524 . 1 1 56 56 GLY HA2 H 1 3.228 0.020 . 2 . . . A 58 GLY HA2 . 18876 1 525 . 1 1 56 56 GLY HA3 H 1 2.483 0.020 . 2 . . . A 58 GLY HA3 . 18876 1 526 . 1 1 56 56 GLY CA C 13 46.351 0.400 . 1 . . . A 58 GLY CA . 18876 1 527 . 1 1 56 56 GLY N N 15 106.768 0.400 . 1 . . . A 58 GLY N . 18876 1 528 . 1 1 57 57 GLN H H 1 7.668 0.020 . 1 . . . A 59 GLN H . 18876 1 529 . 1 1 57 57 GLN HA H 1 3.854 0.020 . 1 . . . A 59 GLN HA . 18876 1 530 . 1 1 57 57 GLN HB2 H 1 2.103 0.020 . 1 . . . A 59 GLN HB2 . 18876 1 531 . 1 1 57 57 GLN HB3 H 1 2.103 0.020 . 1 . . . A 59 GLN HB3 . 18876 1 532 . 1 1 57 57 GLN HG2 H 1 1.917 0.020 . 2 . . . A 59 GLN HG2 . 18876 1 533 . 1 1 57 57 GLN HG3 H 1 1.679 0.020 . 2 . . . A 59 GLN HG3 . 18876 1 534 . 1 1 57 57 GLN HE21 H 1 7.385 0.020 . 2 . . . A 59 GLN HE21 . 18876 1 535 . 1 1 57 57 GLN HE22 H 1 6.985 0.020 . 2 . . . A 59 GLN HE22 . 18876 1 536 . 1 1 57 57 GLN CA C 13 58.288 0.400 . 1 . . . A 59 GLN CA . 18876 1 537 . 1 1 57 57 GLN CB C 13 28.461 0.400 . 1 . . . A 59 GLN CB . 18876 1 538 . 1 1 57 57 GLN CG C 13 33.866 0.400 . 1 . . . A 59 GLN CG . 18876 1 539 . 1 1 57 57 GLN N N 15 119.028 0.400 . 1 . . . A 59 GLN N . 18876 1 540 . 1 1 57 57 GLN NE2 N 15 115.680 0.400 . 1 . . . A 59 GLN NE2 . 18876 1 541 . 1 1 58 58 TYR H H 1 8.652 0.020 . 1 . . . A 60 TYR H . 18876 1 542 . 1 1 58 58 TYR HD1 H 1 6.686 0.020 . 1 . . . A 60 TYR HD1 . 18876 1 543 . 1 1 58 58 TYR HD2 H 1 6.686 0.020 . 1 . . . A 60 TYR HD2 . 18876 1 544 . 1 1 58 58 TYR HE1 H 1 6.307 0.020 . 1 . . . A 60 TYR HE1 . 18876 1 545 . 1 1 58 58 TYR HE2 H 1 6.307 0.020 . 1 . . . A 60 TYR HE2 . 18876 1 546 . 1 1 58 58 TYR CA C 13 62.800 0.400 . 1 . . . A 60 TYR CA . 18876 1 547 . 1 1 58 58 TYR CB C 13 38.530 0.400 . 1 . . . A 60 TYR CB . 18876 1 548 . 1 1 58 58 TYR CD2 C 13 117.757 0.400 . 1 . . . A 60 TYR CD2 . 18876 1 549 . 1 1 58 58 TYR CE1 C 13 133.077 0.400 . 1 . . . A 60 TYR CE1 . 18876 1 550 . 1 1 58 58 TYR N N 15 123.972 0.400 . 1 . . . A 60 TYR N . 18876 1 551 . 1 1 59 59 ILE H H 1 8.033 0.020 . 1 . . . A 61 ILE H . 18876 1 552 . 1 1 59 59 ILE HA H 1 3.070 0.020 . 1 . . . A 61 ILE HA . 18876 1 553 . 1 1 59 59 ILE HB H 1 1.389 0.020 . 1 . . . A 61 ILE HB . 18876 1 554 . 1 1 59 59 ILE HG12 H 1 0.142 0.020 . 1 . . . A 61 ILE HG12 . 18876 1 555 . 1 1 59 59 ILE HG13 H 1 0.142 0.020 . 1 . . . A 61 ILE HG13 . 18876 1 556 . 1 1 59 59 ILE HG21 H 1 0.137 0.020 . 1 . . . A 61 ILE HG21 . 18876 1 557 . 1 1 59 59 ILE HG22 H 1 0.137 0.020 . 1 . . . A 61 ILE HG22 . 18876 1 558 . 1 1 59 59 ILE HG23 H 1 0.137 0.020 . 1 . . . A 61 ILE HG23 . 18876 1 559 . 1 1 59 59 ILE HD11 H 1 0.551 0.020 . 1 . . . A 61 ILE HD11 . 18876 1 560 . 1 1 59 59 ILE HD12 H 1 0.551 0.020 . 1 . . . A 61 ILE HD12 . 18876 1 561 . 1 1 59 59 ILE HD13 H 1 0.551 0.020 . 1 . . . A 61 ILE HD13 . 18876 1 562 . 1 1 59 59 ILE CA C 13 65.899 0.400 . 1 . . . A 61 ILE CA . 18876 1 563 . 1 1 59 59 ILE CB C 13 37.826 0.400 . 1 . . . A 61 ILE CB . 18876 1 564 . 1 1 59 59 ILE CG1 C 13 30.566 0.400 . 1 . . . A 61 ILE CG1 . 18876 1 565 . 1 1 59 59 ILE CG2 C 13 19.061 0.400 . 1 . . . A 61 ILE CG2 . 18876 1 566 . 1 1 59 59 ILE CD1 C 13 14.579 0.400 . 1 . . . A 61 ILE CD1 . 18876 1 567 . 1 1 59 59 ILE N N 15 118.923 0.400 . 1 . . . A 61 ILE N . 18876 1 568 . 1 1 60 60 MET H H 1 8.188 0.020 . 1 . . . A 62 MET H . 18876 1 569 . 1 1 60 60 MET HA H 1 3.961 0.020 . 1 . . . A 62 MET HA . 18876 1 570 . 1 1 60 60 MET HB2 H 1 2.150 0.020 . 1 . . . A 62 MET HB2 . 18876 1 571 . 1 1 60 60 MET HB3 H 1 2.150 0.020 . 1 . . . A 62 MET HB3 . 18876 1 572 . 1 1 60 60 MET HG2 H 1 2.687 0.020 . 2 . . . A 62 MET HG2 . 18876 1 573 . 1 1 60 60 MET HG3 H 1 2.496 0.020 . 2 . . . A 62 MET HG3 . 18876 1 574 . 1 1 60 60 MET CA C 13 59.671 0.400 . 1 . . . A 62 MET CA . 18876 1 575 . 1 1 60 60 MET CB C 13 33.546 0.400 . 1 . . . A 62 MET CB . 18876 1 576 . 1 1 60 60 MET CG C 13 32.733 0.400 . 1 . . . A 62 MET CG . 18876 1 577 . 1 1 60 60 MET N N 15 116.136 0.400 . 1 . . . A 62 MET N . 18876 1 578 . 1 1 61 61 THR H H 1 8.561 0.020 . 1 . . . A 63 THR H . 18876 1 579 . 1 1 61 61 THR HA H 1 3.947 0.020 . 1 . . . A 63 THR HA . 18876 1 580 . 1 1 61 61 THR HB H 1 4.093 0.020 . 1 . . . A 63 THR HB . 18876 1 581 . 1 1 61 61 THR HG21 H 1 1.252 0.020 . 1 . . . A 63 THR HG21 . 18876 1 582 . 1 1 61 61 THR HG22 H 1 1.252 0.020 . 1 . . . A 63 THR HG22 . 18876 1 583 . 1 1 61 61 THR HG23 H 1 1.252 0.020 . 1 . . . A 63 THR HG23 . 18876 1 584 . 1 1 61 61 THR CA C 13 66.131 0.400 . 1 . . . A 63 THR CA . 18876 1 585 . 1 1 61 61 THR CB C 13 69.288 0.400 . 1 . . . A 63 THR CB . 18876 1 586 . 1 1 61 61 THR CG2 C 13 21.319 0.400 . 1 . . . A 63 THR CG2 . 18876 1 587 . 1 1 61 61 THR N N 15 115.445 0.400 . 1 . . . A 63 THR N . 18876 1 588 . 1 1 62 62 LYS H H 1 7.566 0.020 . 1 . . . A 64 LYS H . 18876 1 589 . 1 1 62 62 LYS HA H 1 3.995 0.020 . 1 . . . A 64 LYS HA . 18876 1 590 . 1 1 62 62 LYS HB2 H 1 1.553 0.020 . 2 . . . A 64 LYS HB2 . 18876 1 591 . 1 1 62 62 LYS HB3 H 1 1.217 0.020 . 2 . . . A 64 LYS HB3 . 18876 1 592 . 1 1 62 62 LYS HG2 H 1 0.981 0.020 . 2 . . . A 64 LYS HG2 . 18876 1 593 . 1 1 62 62 LYS HG3 H 1 0.809 0.020 . 2 . . . A 64 LYS HG3 . 18876 1 594 . 1 1 62 62 LYS HD2 H 1 1.213 0.020 . 2 . . . A 64 LYS HD2 . 18876 1 595 . 1 1 62 62 LYS HD3 H 1 1.080 0.020 . 2 . . . A 64 LYS HD3 . 18876 1 596 . 1 1 62 62 LYS HE2 H 1 2.795 0.020 . 1 . . . A 64 LYS HE2 . 18876 1 597 . 1 1 62 62 LYS HE3 H 1 2.795 0.020 . 1 . . . A 64 LYS HE3 . 18876 1 598 . 1 1 62 62 LYS CA C 13 56.222 0.400 . 1 . . . A 64 LYS CA . 18876 1 599 . 1 1 62 62 LYS CB C 13 31.144 0.400 . 1 . . . A 64 LYS CB . 18876 1 600 . 1 1 62 62 LYS CG C 13 24.936 0.400 . 1 . . . A 64 LYS CG . 18876 1 601 . 1 1 62 62 LYS CD C 13 28.488 0.400 . 1 . . . A 64 LYS CD . 18876 1 602 . 1 1 62 62 LYS CE C 13 41.963 0.400 . 1 . . . A 64 LYS CE . 18876 1 603 . 1 1 62 62 LYS N N 15 118.359 0.400 . 1 . . . A 64 LYS N . 18876 1 604 . 1 1 63 63 ARG H H 1 7.495 0.020 . 1 . . . A 65 ARG H . 18876 1 605 . 1 1 63 63 ARG HA H 1 3.272 0.020 . 1 . . . A 65 ARG HA . 18876 1 606 . 1 1 63 63 ARG HB2 H 1 1.715 0.020 . 1 . . . A 65 ARG HB2 . 18876 1 607 . 1 1 63 63 ARG HB3 H 1 1.715 0.020 . 1 . . . A 65 ARG HB3 . 18876 1 608 . 1 1 63 63 ARG HD2 H 1 3.143 0.020 . 2 . . . A 65 ARG HD2 . 18876 1 609 . 1 1 63 63 ARG HD3 H 1 3.066 0.020 . 2 . . . A 65 ARG HD3 . 18876 1 610 . 1 1 63 63 ARG CA C 13 56.344 0.400 . 1 . . . A 65 ARG CA . 18876 1 611 . 1 1 63 63 ARG CB C 13 26.420 0.400 . 1 . . . A 65 ARG CB . 18876 1 612 . 1 1 63 63 ARG CG C 13 27.365 0.400 . 1 . . . A 65 ARG CG . 18876 1 613 . 1 1 63 63 ARG CD C 13 43.142 0.400 . 1 . . . A 65 ARG CD . 18876 1 614 . 1 1 63 63 ARG N N 15 117.228 0.400 . 1 . . . A 65 ARG N . 18876 1 615 . 1 1 64 64 LEU H H 1 7.446 0.020 . 1 . . . A 66 LEU H . 18876 1 616 . 1 1 64 64 LEU HA H 1 4.225 0.020 . 1 . . . A 66 LEU HA . 18876 1 617 . 1 1 64 64 LEU HB2 H 1 2.029 0.020 . 2 . . . A 66 LEU HB2 . 18876 1 618 . 1 1 64 64 LEU HB3 H 1 1.258 0.020 . 2 . . . A 66 LEU HB3 . 18876 1 619 . 1 1 64 64 LEU HG H 1 1.303 0.020 . 1 . . . A 66 LEU HG . 18876 1 620 . 1 1 64 64 LEU HD11 H 1 0.722 0.020 . 1 . . . A 66 LEU HD11 . 18876 1 621 . 1 1 64 64 LEU HD12 H 1 0.722 0.020 . 1 . . . A 66 LEU HD12 . 18876 1 622 . 1 1 64 64 LEU HD13 H 1 0.722 0.020 . 1 . . . A 66 LEU HD13 . 18876 1 623 . 1 1 64 64 LEU CA C 13 55.221 0.400 . 1 . . . A 66 LEU CA . 18876 1 624 . 1 1 64 64 LEU CB C 13 41.930 0.400 . 1 . . . A 66 LEU CB . 18876 1 625 . 1 1 64 64 LEU CG C 13 26.477 0.400 . 1 . . . A 66 LEU CG . 18876 1 626 . 1 1 64 64 LEU CD1 C 13 21.396 0.400 . 1 . . . A 66 LEU CD1 . 18876 1 627 . 1 1 64 64 LEU N N 15 113.387 0.400 . 1 . . . A 66 LEU N . 18876 1 628 . 1 1 65 65 TYR H H 1 6.193 0.020 . 1 . . . A 67 TYR H . 18876 1 629 . 1 1 65 65 TYR HA H 1 5.199 0.020 . 1 . . . A 67 TYR HA . 18876 1 630 . 1 1 65 65 TYR HB2 H 1 3.102 0.020 . 2 . . . A 67 TYR HB2 . 18876 1 631 . 1 1 65 65 TYR HB3 H 1 1.983 0.020 . 2 . . . A 67 TYR HB3 . 18876 1 632 . 1 1 65 65 TYR HD1 H 1 6.743 0.020 . 1 . . . A 67 TYR HD1 . 18876 1 633 . 1 1 65 65 TYR HD2 H 1 6.743 0.020 . 1 . . . A 67 TYR HD2 . 18876 1 634 . 1 1 65 65 TYR HE1 H 1 7.085 0.020 . 1 . . . A 67 TYR HE1 . 18876 1 635 . 1 1 65 65 TYR HE2 H 1 7.085 0.020 . 1 . . . A 67 TYR HE2 . 18876 1 636 . 1 1 65 65 TYR CA C 13 53.662 0.400 . 1 . . . A 67 TYR CA . 18876 1 637 . 1 1 65 65 TYR CB C 13 39.181 0.400 . 1 . . . A 67 TYR CB . 18876 1 638 . 1 1 65 65 TYR CD2 C 13 117.941 0.400 . 1 . . . A 67 TYR CD2 . 18876 1 639 . 1 1 65 65 TYR CE1 C 13 133.150 0.400 . 1 . . . A 67 TYR CE1 . 18876 1 640 . 1 1 65 65 TYR N N 15 112.524 0.400 . 1 . . . A 67 TYR N . 18876 1 641 . 1 1 66 66 ASP H H 1 8.656 0.020 . 1 . . . A 68 ASP H . 18876 1 642 . 1 1 66 66 ASP HA H 1 4.418 0.020 . 1 . . . A 68 ASP HA . 18876 1 643 . 1 1 66 66 ASP HB2 H 1 3.389 0.020 . 2 . . . A 68 ASP HB2 . 18876 1 644 . 1 1 66 66 ASP HB3 H 1 2.382 0.020 . 2 . . . A 68 ASP HB3 . 18876 1 645 . 1 1 66 66 ASP CA C 13 54.174 0.400 . 1 . . . A 68 ASP CA . 18876 1 646 . 1 1 66 66 ASP CB C 13 42.901 0.400 . 1 . . . A 68 ASP CB . 18876 1 647 . 1 1 66 66 ASP N N 15 123.815 0.400 . 1 . . . A 68 ASP N . 18876 1 648 . 1 1 67 67 GLU H H 1 8.695 0.020 . 1 . . . A 69 GLU H . 18876 1 649 . 1 1 67 67 GLU HA H 1 4.014 0.020 . 1 . . . A 69 GLU HA . 18876 1 650 . 1 1 67 67 GLU HB2 H 1 2.122 0.020 . 2 . . . A 69 GLU HB2 . 18876 1 651 . 1 1 67 67 GLU HB3 H 1 2.006 0.020 . 2 . . . A 69 GLU HB3 . 18876 1 652 . 1 1 67 67 GLU HG2 H 1 2.319 0.020 . 1 . . . A 69 GLU HG2 . 18876 1 653 . 1 1 67 67 GLU HG3 H 1 2.319 0.020 . 1 . . . A 69 GLU HG3 . 18876 1 654 . 1 1 67 67 GLU CA C 13 59.606 0.400 . 1 . . . A 69 GLU CA . 18876 1 655 . 1 1 67 67 GLU CB C 13 30.122 0.400 . 1 . . . A 69 GLU CB . 18876 1 656 . 1 1 67 67 GLU CG C 13 36.167 0.400 . 1 . . . A 69 GLU CG . 18876 1 657 . 1 1 67 67 GLU N N 15 124.512 0.400 . 1 . . . A 69 GLU N . 18876 1 658 . 1 1 68 68 LYS H H 1 8.233 0.020 . 1 . . . A 70 LYS H . 18876 1 659 . 1 1 68 68 LYS HA H 1 4.471 0.020 . 1 . . . A 70 LYS HA . 18876 1 660 . 1 1 68 68 LYS HB2 H 1 1.944 0.020 . 1 . . . A 70 LYS HB2 . 18876 1 661 . 1 1 68 68 LYS HG2 H 1 1.559 0.020 . 2 . . . A 70 LYS HG2 . 18876 1 662 . 1 1 68 68 LYS HG3 H 1 1.460 0.020 . 2 . . . A 70 LYS HG3 . 18876 1 663 . 1 1 68 68 LYS HD2 H 1 1.728 0.020 . 1 . . . A 70 LYS HD2 . 18876 1 664 . 1 1 68 68 LYS HD3 H 1 1.728 0.020 . 1 . . . A 70 LYS HD3 . 18876 1 665 . 1 1 68 68 LYS HE2 H 1 3.020 0.020 . 1 . . . A 70 LYS HE2 . 18876 1 666 . 1 1 68 68 LYS HE3 H 1 3.020 0.020 . 1 . . . A 70 LYS HE3 . 18876 1 667 . 1 1 68 68 LYS CA C 13 57.113 0.400 . 1 . . . A 70 LYS CA . 18876 1 668 . 1 1 68 68 LYS CB C 13 33.430 0.400 . 1 . . . A 70 LYS CB . 18876 1 669 . 1 1 68 68 LYS CG C 13 25.305 0.400 . 1 . . . A 70 LYS CG . 18876 1 670 . 1 1 68 68 LYS CD C 13 28.886 0.400 . 1 . . . A 70 LYS CD . 18876 1 671 . 1 1 68 68 LYS CE C 13 42.069 0.400 . 1 . . . A 70 LYS CE . 18876 1 672 . 1 1 68 68 LYS N N 15 115.928 0.400 . 1 . . . A 70 LYS N . 18876 1 673 . 1 1 69 69 GLN H H 1 8.479 0.020 . 1 . . . A 71 GLN H . 18876 1 674 . 1 1 69 69 GLN HA H 1 4.709 0.020 . 1 . . . A 71 GLN HA . 18876 1 675 . 1 1 69 69 GLN HB2 H 1 1.819 0.020 . 2 . . . A 71 GLN HB2 . 18876 1 676 . 1 1 69 69 GLN HB3 H 1 1.877 0.020 . 2 . . . A 71 GLN HB3 . 18876 1 677 . 1 1 69 69 GLN HG2 H 1 2.213 0.020 . 1 . . . A 71 GLN HG2 . 18876 1 678 . 1 1 69 69 GLN HG3 H 1 2.213 0.020 . 1 . . . A 71 GLN HG3 . 18876 1 679 . 1 1 69 69 GLN CA C 13 53.981 0.400 . 1 . . . A 71 GLN CA . 18876 1 680 . 1 1 69 69 GLN CB C 13 29.264 0.400 . 1 . . . A 71 GLN CB . 18876 1 681 . 1 1 69 69 GLN CG C 13 33.640 0.400 . 1 . . . A 71 GLN CG . 18876 1 682 . 1 1 69 69 GLN N N 15 122.137 0.400 . 1 . . . A 71 GLN N . 18876 1 683 . 1 1 70 70 GLN H H 1 8.470 0.020 . 1 . . . A 72 GLN H . 18876 1 684 . 1 1 70 70 GLN HA H 1 4.712 0.020 . 1 . . . A 72 GLN HA . 18876 1 685 . 1 1 70 70 GLN HB2 H 1 1.805 0.020 . 2 . . . A 72 GLN HB2 . 18876 1 686 . 1 1 70 70 GLN HB3 H 1 2.294 0.020 . 2 . . . A 72 GLN HB3 . 18876 1 687 . 1 1 70 70 GLN HG2 H 1 2.701 0.020 . 2 . . . A 72 GLN HG2 . 18876 1 688 . 1 1 70 70 GLN HG3 H 1 3.162 0.020 . 2 . . . A 72 GLN HG3 . 18876 1 689 . 1 1 70 70 GLN CA C 13 59.553 0.400 . 1 . . . A 72 GLN CA . 18876 1 690 . 1 1 70 70 GLN CB C 13 26.431 0.400 . 1 . . . A 72 GLN CB . 18876 1 691 . 1 1 70 70 GLN CG C 13 33.454 0.400 . 1 . . . A 72 GLN CG . 18876 1 692 . 1 1 70 70 GLN N N 15 118.771 0.400 . 1 . . . A 72 GLN N . 18876 1 693 . 1 1 71 71 HIS H H 1 7.580 0.020 . 1 . . . A 73 HIS H . 18876 1 694 . 1 1 71 71 HIS HA H 1 4.591 0.020 . 1 . . . A 73 HIS HA . 18876 1 695 . 1 1 71 71 HIS HB2 H 1 3.216 0.020 . 2 . . . A 73 HIS HB2 . 18876 1 696 . 1 1 71 71 HIS HB3 H 1 2.884 0.020 . 2 . . . A 73 HIS HB3 . 18876 1 697 . 1 1 71 71 HIS CA C 13 55.568 0.400 . 1 . . . A 73 HIS CA . 18876 1 698 . 1 1 71 71 HIS CB C 13 31.140 0.400 . 1 . . . A 73 HIS CB . 18876 1 699 . 1 1 71 71 HIS N N 15 107.762 0.400 . 1 . . . A 73 HIS N . 18876 1 700 . 1 1 72 72 ILE H H 1 7.997 0.020 . 1 . . . A 74 ILE H . 18876 1 701 . 1 1 72 72 ILE HA H 1 4.065 0.020 . 1 . . . A 74 ILE HA . 18876 1 702 . 1 1 72 72 ILE HB H 1 1.675 0.020 . 1 . . . A 74 ILE HB . 18876 1 703 . 1 1 72 72 ILE HG12 H 1 0.606 0.020 . 2 . . . A 74 ILE HG12 . 18876 1 704 . 1 1 72 72 ILE HG13 H 1 0.330 0.020 . 2 . . . A 74 ILE HG13 . 18876 1 705 . 1 1 72 72 ILE HG21 H 1 0.110 0.020 . 1 . . . A 74 ILE HG21 . 18876 1 706 . 1 1 72 72 ILE HG22 H 1 0.110 0.020 . 1 . . . A 74 ILE HG22 . 18876 1 707 . 1 1 72 72 ILE HG23 H 1 0.110 0.020 . 1 . . . A 74 ILE HG23 . 18876 1 708 . 1 1 72 72 ILE HD11 H 1 0.602 0.020 . 1 . . . A 74 ILE HD11 . 18876 1 709 . 1 1 72 72 ILE HD12 H 1 0.602 0.020 . 1 . . . A 74 ILE HD12 . 18876 1 710 . 1 1 72 72 ILE HD13 H 1 0.602 0.020 . 1 . . . A 74 ILE HD13 . 18876 1 711 . 1 1 72 72 ILE CA C 13 60.355 0.400 . 1 . . . A 74 ILE CA . 18876 1 712 . 1 1 72 72 ILE CB C 13 36.969 0.400 . 1 . . . A 74 ILE CB . 18876 1 713 . 1 1 72 72 ILE CG1 C 13 26.186 0.400 . 1 . . . A 74 ILE CG1 . 18876 1 714 . 1 1 72 72 ILE CG2 C 13 16.199 0.400 . 1 . . . A 74 ILE CG2 . 18876 1 715 . 1 1 72 72 ILE CD1 C 13 11.748 0.400 . 1 . . . A 74 ILE CD1 . 18876 1 716 . 1 1 72 72 ILE N N 15 123.627 0.400 . 1 . . . A 74 ILE N . 18876 1 717 . 1 1 73 73 VAL H H 1 8.317 0.020 . 1 . . . A 75 VAL H . 18876 1 718 . 1 1 73 73 VAL HA H 1 3.677 0.020 . 1 . . . A 75 VAL HA . 18876 1 719 . 1 1 73 73 VAL HB H 1 0.241 0.020 . 1 . . . A 75 VAL HB . 18876 1 720 . 1 1 73 73 VAL HG11 H 1 0.514 0.020 . 2 . . . A 75 VAL HG11 . 18876 1 721 . 1 1 73 73 VAL HG12 H 1 0.514 0.020 . 2 . . . A 75 VAL HG12 . 18876 1 722 . 1 1 73 73 VAL HG13 H 1 0.514 0.020 . 2 . . . A 75 VAL HG13 . 18876 1 723 . 1 1 73 73 VAL HG21 H 1 0.247 0.020 . 2 . . . A 75 VAL HG21 . 18876 1 724 . 1 1 73 73 VAL HG22 H 1 0.247 0.020 . 2 . . . A 75 VAL HG22 . 18876 1 725 . 1 1 73 73 VAL HG23 H 1 0.247 0.020 . 2 . . . A 75 VAL HG23 . 18876 1 726 . 1 1 73 73 VAL CA C 13 60.825 0.400 . 1 . . . A 75 VAL CA . 18876 1 727 . 1 1 73 73 VAL CB C 13 32.335 0.400 . 1 . . . A 75 VAL CB . 18876 1 728 . 1 1 73 73 VAL CG1 C 13 21.997 0.400 . 1 . . . A 75 VAL CG1 . 18876 1 729 . 1 1 73 73 VAL CG2 C 13 22.210 0.400 . 1 . . . A 75 VAL CG2 . 18876 1 730 . 1 1 73 73 VAL N N 15 125.536 0.400 . 1 . . . A 75 VAL N . 18876 1 731 . 1 1 74 74 TYR H H 1 8.286 0.020 . 1 . . . A 76 TYR H . 18876 1 732 . 1 1 74 74 TYR HA H 1 4.651 0.020 . 1 . . . A 76 TYR HA . 18876 1 733 . 1 1 74 74 TYR HB2 H 1 3.182 0.020 . 2 . . . A 76 TYR HB2 . 18876 1 734 . 1 1 74 74 TYR HB3 H 1 2.884 0.020 . 2 . . . A 76 TYR HB3 . 18876 1 735 . 1 1 74 74 TYR HD1 H 1 7.090 0.020 . 1 . . . A 76 TYR HD1 . 18876 1 736 . 1 1 74 74 TYR HD2 H 1 7.090 0.020 . 1 . . . A 76 TYR HD2 . 18876 1 737 . 1 1 74 74 TYR HE1 H 1 6.752 0.020 . 1 . . . A 76 TYR HE1 . 18876 1 738 . 1 1 74 74 TYR HE2 H 1 6.752 0.020 . 1 . . . A 76 TYR HE2 . 18876 1 739 . 1 1 74 74 TYR CA C 13 61.439 0.400 . 1 . . . A 76 TYR CA . 18876 1 740 . 1 1 74 74 TYR CB C 13 38.643 0.400 . 1 . . . A 76 TYR CB . 18876 1 741 . 1 1 74 74 TYR CD1 C 13 132.866 0.400 . 1 . . . A 76 TYR CD1 . 18876 1 742 . 1 1 74 74 TYR N N 15 125.565 0.400 . 1 . . . A 76 TYR N . 18876 1 743 . 1 1 75 75 CYS H H 1 8.469 0.020 . 1 . . . A 77 CYS H . 18876 1 744 . 1 1 75 75 CYS HA H 1 4.792 0.020 . 1 . . . A 77 CYS HA . 18876 1 745 . 1 1 75 75 CYS HB2 H 1 3.394 0.020 . 2 . . . A 77 CYS HB2 . 18876 1 746 . 1 1 75 75 CYS HB3 H 1 2.226 0.020 . 2 . . . A 77 CYS HB3 . 18876 1 747 . 1 1 75 75 CYS CA C 13 56.171 0.400 . 1 . . . A 77 CYS CA . 18876 1 748 . 1 1 75 75 CYS CB C 13 29.070 0.400 . 1 . . . A 77 CYS CB . 18876 1 749 . 1 1 75 75 CYS N N 15 116.918 0.400 . 1 . . . A 77 CYS N . 18876 1 750 . 1 1 76 76 SER H H 1 7.806 0.020 . 1 . . . A 78 SER H . 18876 1 751 . 1 1 76 76 SER HA H 1 4.350 0.020 . 1 . . . A 78 SER HA . 18876 1 752 . 1 1 76 76 SER HB2 H 1 3.955 0.020 . 1 . . . A 78 SER HB2 . 18876 1 753 . 1 1 76 76 SER HB3 H 1 3.955 0.020 . 1 . . . A 78 SER HB3 . 18876 1 754 . 1 1 76 76 SER CA C 13 59.984 0.400 . 1 . . . A 78 SER CA . 18876 1 755 . 1 1 76 76 SER CB C 13 63.259 0.400 . 1 . . . A 78 SER CB . 18876 1 756 . 1 1 76 76 SER N N 15 116.190 0.400 . 1 . . . A 78 SER N . 18876 1 757 . 1 1 77 77 ASN HA H 1 4.633 0.020 . 1 . . . A 79 ASN HA . 18876 1 758 . 1 1 77 77 ASN HB2 H 1 2.969 0.020 . 2 . . . A 79 ASN HB2 . 18876 1 759 . 1 1 77 77 ASN HB3 H 1 2.776 0.020 . 2 . . . A 79 ASN HB3 . 18876 1 760 . 1 1 77 77 ASN HD21 H 1 7.687 0.020 . 2 . . . A 79 ASN HD21 . 18876 1 761 . 1 1 77 77 ASN HD22 H 1 6.938 0.020 . 2 . . . A 79 ASN HD22 . 18876 1 762 . 1 1 77 77 ASN CA C 13 53.536 0.400 . 1 . . . A 79 ASN CA . 18876 1 763 . 1 1 77 77 ASN CB C 13 37.889 0.400 . 1 . . . A 79 ASN CB . 18876 1 764 . 1 1 77 77 ASN ND2 N 15 113.907 0.400 . 1 . . . A 79 ASN ND2 . 18876 1 765 . 1 1 78 78 ASP H H 1 7.695 0.020 . 1 . . . A 80 ASP H . 18876 1 766 . 1 1 78 78 ASP HA H 1 4.865 0.020 . 1 . . . A 80 ASP HA . 18876 1 767 . 1 1 78 78 ASP HB2 H 1 2.386 0.020 . 1 . . . A 80 ASP HB2 . 18876 1 768 . 1 1 78 78 ASP HB3 H 1 2.386 0.020 . 1 . . . A 80 ASP HB3 . 18876 1 769 . 1 1 78 78 ASP CA C 13 53.262 0.400 . 1 . . . A 80 ASP CA . 18876 1 770 . 1 1 78 78 ASP CB C 13 47.111 0.400 . 1 . . . A 80 ASP CB . 18876 1 771 . 1 1 78 78 ASP N N 15 118.119 0.400 . 1 . . . A 80 ASP N . 18876 1 772 . 1 1 79 79 LEU H H 1 8.583 0.020 . 1 . . . A 81 LEU H . 18876 1 773 . 1 1 79 79 LEU HA H 1 4.229 0.020 . 1 . . . A 81 LEU HA . 18876 1 774 . 1 1 79 79 LEU HB2 H 1 1.661 0.020 . 1 . . . A 81 LEU HB2 . 18876 1 775 . 1 1 79 79 LEU HB3 H 1 1.661 0.020 . 1 . . . A 81 LEU HB3 . 18876 1 776 . 1 1 79 79 LEU HG H 1 1.457 0.020 . 1 . . . A 81 LEU HG . 18876 1 777 . 1 1 79 79 LEU HD11 H 1 0.826 0.020 . 2 . . . A 81 LEU HD11 . 18876 1 778 . 1 1 79 79 LEU HD12 H 1 0.826 0.020 . 2 . . . A 81 LEU HD12 . 18876 1 779 . 1 1 79 79 LEU HD13 H 1 0.826 0.020 . 2 . . . A 81 LEU HD13 . 18876 1 780 . 1 1 79 79 LEU HD21 H 1 0.970 0.020 . 2 . . . A 81 LEU HD21 . 18876 1 781 . 1 1 79 79 LEU HD22 H 1 0.970 0.020 . 2 . . . A 81 LEU HD22 . 18876 1 782 . 1 1 79 79 LEU HD23 H 1 0.970 0.020 . 2 . . . A 81 LEU HD23 . 18876 1 783 . 1 1 79 79 LEU CA C 13 58.210 0.400 . 1 . . . A 81 LEU CA . 18876 1 784 . 1 1 79 79 LEU CB C 13 42.285 0.400 . 1 . . . A 81 LEU CB . 18876 1 785 . 1 1 79 79 LEU CG C 13 27.199 0.400 . 1 . . . A 81 LEU CG . 18876 1 786 . 1 1 79 79 LEU CD1 C 13 25.186 0.400 . 1 . . . A 81 LEU CD1 . 18876 1 787 . 1 1 79 79 LEU CD2 C 13 23.732 0.400 . 1 . . . A 81 LEU CD2 . 18876 1 788 . 1 1 79 79 LEU N N 15 129.630 0.400 . 1 . . . A 81 LEU N . 18876 1 789 . 1 1 80 80 LEU H H 1 9.935 0.020 . 1 . . . A 82 LEU H . 18876 1 790 . 1 1 80 80 LEU HA H 1 3.678 0.020 . 1 . . . A 82 LEU HA . 18876 1 791 . 1 1 80 80 LEU HB2 H 1 1.634 0.020 . 1 . . . A 82 LEU HB2 . 18876 1 792 . 1 1 80 80 LEU HG H 1 1.386 0.020 . 1 . . . A 82 LEU HG . 18876 1 793 . 1 1 80 80 LEU HD11 H 1 0.731 0.020 . 2 . . . A 82 LEU HD11 . 18876 1 794 . 1 1 80 80 LEU HD12 H 1 0.731 0.020 . 2 . . . A 82 LEU HD12 . 18876 1 795 . 1 1 80 80 LEU HD13 H 1 0.731 0.020 . 2 . . . A 82 LEU HD13 . 18876 1 796 . 1 1 80 80 LEU HD21 H 1 0.129 0.020 . 2 . . . A 82 LEU HD21 . 18876 1 797 . 1 1 80 80 LEU HD22 H 1 0.129 0.020 . 2 . . . A 82 LEU HD22 . 18876 1 798 . 1 1 80 80 LEU HD23 H 1 0.129 0.020 . 2 . . . A 82 LEU HD23 . 18876 1 799 . 1 1 80 80 LEU CA C 13 58.055 0.400 . 1 . . . A 82 LEU CA . 18876 1 800 . 1 1 80 80 LEU CB C 13 42.490 0.400 . 1 . . . A 82 LEU CB . 18876 1 801 . 1 1 80 80 LEU CG C 13 26.342 0.400 . 1 . . . A 82 LEU CG . 18876 1 802 . 1 1 80 80 LEU CD1 C 13 26.412 0.400 . 1 . . . A 82 LEU CD1 . 18876 1 803 . 1 1 80 80 LEU CD2 C 13 22.648 0.400 . 1 . . . A 82 LEU CD2 . 18876 1 804 . 1 1 80 80 LEU N N 15 118.377 0.400 . 1 . . . A 82 LEU N . 18876 1 805 . 1 1 81 81 GLY H H 1 7.852 0.020 . 1 . . . A 83 GLY H . 18876 1 806 . 1 1 81 81 GLY HA2 H 1 4.185 0.020 . 2 . . . A 83 GLY HA2 . 18876 1 807 . 1 1 81 81 GLY HA3 H 1 4.130 0.020 . 2 . . . A 83 GLY HA3 . 18876 1 808 . 1 1 81 81 GLY CA C 13 47.928 0.400 . 1 . . . A 83 GLY CA . 18876 1 809 . 1 1 81 81 GLY N N 15 106.970 0.400 . 1 . . . A 83 GLY N . 18876 1 810 . 1 1 82 82 ASP H H 1 7.606 0.020 . 1 . . . A 84 ASP H . 18876 1 811 . 1 1 82 82 ASP HA H 1 4.425 0.020 . 1 . . . A 84 ASP HA . 18876 1 812 . 1 1 82 82 ASP HB2 H 1 2.945 0.020 . 2 . . . A 84 ASP HB2 . 18876 1 813 . 1 1 82 82 ASP HB3 H 1 2.674 0.020 . 2 . . . A 84 ASP HB3 . 18876 1 814 . 1 1 82 82 ASP CA C 13 56.925 0.400 . 1 . . . A 84 ASP CA . 18876 1 815 . 1 1 82 82 ASP CB C 13 40.098 0.400 . 1 . . . A 84 ASP CB . 18876 1 816 . 1 1 82 82 ASP N N 15 123.256 0.400 . 1 . . . A 84 ASP N . 18876 1 817 . 1 1 83 83 LEU H H 1 8.039 0.020 . 1 . . . A 85 LEU H . 18876 1 818 . 1 1 83 83 LEU HA H 1 4.147 0.020 . 1 . . . A 85 LEU HA . 18876 1 819 . 1 1 83 83 LEU HB2 H 1 1.679 0.020 . 2 . . . A 85 LEU HB2 . 18876 1 820 . 1 1 83 83 LEU HB3 H 1 1.472 0.020 . 2 . . . A 85 LEU HB3 . 18876 1 821 . 1 1 83 83 LEU HG H 1 1.691 0.020 . 1 . . . A 85 LEU HG . 18876 1 822 . 1 1 83 83 LEU HD11 H 1 0.648 0.020 . 2 . . . A 85 LEU HD11 . 18876 1 823 . 1 1 83 83 LEU HD12 H 1 0.648 0.020 . 2 . . . A 85 LEU HD12 . 18876 1 824 . 1 1 83 83 LEU HD13 H 1 0.648 0.020 . 2 . . . A 85 LEU HD13 . 18876 1 825 . 1 1 83 83 LEU HD21 H 1 0.596 0.020 . 2 . . . A 85 LEU HD21 . 18876 1 826 . 1 1 83 83 LEU HD22 H 1 0.596 0.020 . 2 . . . A 85 LEU HD22 . 18876 1 827 . 1 1 83 83 LEU HD23 H 1 0.596 0.020 . 2 . . . A 85 LEU HD23 . 18876 1 828 . 1 1 83 83 LEU CA C 13 57.252 0.400 . 1 . . . A 85 LEU CA . 18876 1 829 . 1 1 83 83 LEU CB C 13 41.605 0.400 . 1 . . . A 85 LEU CB . 18876 1 830 . 1 1 83 83 LEU CG C 13 26.461 0.400 . 1 . . . A 85 LEU CG . 18876 1 831 . 1 1 83 83 LEU CD1 C 13 24.534 0.400 . 1 . . . A 85 LEU CD1 . 18876 1 832 . 1 1 83 83 LEU CD2 C 13 26.715 0.400 . 1 . . . A 85 LEU CD2 . 18876 1 833 . 1 1 83 83 LEU N N 15 118.775 0.400 . 1 . . . A 85 LEU N . 18876 1 834 . 1 1 84 84 PHE H H 1 8.685 0.020 . 1 . . . A 86 PHE H . 18876 1 835 . 1 1 84 84 PHE HA H 1 4.533 0.020 . 1 . . . A 86 PHE HA . 18876 1 836 . 1 1 84 84 PHE HB2 H 1 3.781 0.020 . 2 . . . A 86 PHE HB2 . 18876 1 837 . 1 1 84 84 PHE HB3 H 1 3.214 0.020 . 2 . . . A 86 PHE HB3 . 18876 1 838 . 1 1 84 84 PHE CA C 13 56.831 0.400 . 1 . . . A 86 PHE CA . 18876 1 839 . 1 1 84 84 PHE CB C 13 38.187 0.400 . 1 . . . A 86 PHE CB . 18876 1 840 . 1 1 84 84 PHE N N 15 117.692 0.400 . 1 . . . A 86 PHE N . 18876 1 841 . 1 1 85 85 GLY H H 1 8.341 0.020 . 1 . . . A 87 GLY H . 18876 1 842 . 1 1 85 85 GLY HA2 H 1 3.997 0.020 . 1 . . . A 87 GLY HA2 . 18876 1 843 . 1 1 85 85 GLY HA3 H 1 3.998 0.020 . 1 . . . A 87 GLY HA3 . 18876 1 844 . 1 1 85 85 GLY CA C 13 46.403 0.400 . 1 . . . A 87 GLY CA . 18876 1 845 . 1 1 85 85 GLY N N 15 108.119 0.400 . 1 . . . A 87 GLY N . 18876 1 846 . 1 1 86 86 VAL H H 1 7.151 0.020 . 1 . . . A 88 VAL H . 18876 1 847 . 1 1 86 86 VAL HA H 1 5.014 0.020 . 1 . . . A 88 VAL HA . 18876 1 848 . 1 1 86 86 VAL HB H 1 2.449 0.020 . 1 . . . A 88 VAL HB . 18876 1 849 . 1 1 86 86 VAL HG11 H 1 1.069 0.020 . 2 . . . A 88 VAL HG11 . 18876 1 850 . 1 1 86 86 VAL HG12 H 1 1.069 0.020 . 2 . . . A 88 VAL HG12 . 18876 1 851 . 1 1 86 86 VAL HG13 H 1 1.069 0.020 . 2 . . . A 88 VAL HG13 . 18876 1 852 . 1 1 86 86 VAL HG21 H 1 0.808 0.020 . 2 . . . A 88 VAL HG21 . 18876 1 853 . 1 1 86 86 VAL HG22 H 1 0.808 0.020 . 2 . . . A 88 VAL HG22 . 18876 1 854 . 1 1 86 86 VAL HG23 H 1 0.808 0.020 . 2 . . . A 88 VAL HG23 . 18876 1 855 . 1 1 86 86 VAL CA C 13 57.074 0.400 . 1 . . . A 88 VAL CA . 18876 1 856 . 1 1 86 86 VAL CB C 13 34.907 0.400 . 1 . . . A 88 VAL CB . 18876 1 857 . 1 1 86 86 VAL CG1 C 13 22.829 0.400 . 1 . . . A 88 VAL CG1 . 18876 1 858 . 1 1 86 86 VAL CG2 C 13 18.927 0.400 . 1 . . . A 88 VAL CG2 . 18876 1 859 . 1 1 86 86 VAL N N 15 108.539 0.400 . 1 . . . A 88 VAL N . 18876 1 860 . 1 1 87 87 PRO HA H 1 4.490 0.020 . 1 . . . A 89 PRO HA . 18876 1 861 . 1 1 87 87 PRO HB2 H 1 2.326 0.020 . 2 . . . A 89 PRO HB2 . 18876 1 862 . 1 1 87 87 PRO HB3 H 1 2.178 0.020 . 2 . . . A 89 PRO HB3 . 18876 1 863 . 1 1 87 87 PRO HD2 H 1 4.034 0.020 . 2 . . . A 89 PRO HD2 . 18876 1 864 . 1 1 87 87 PRO HD3 H 1 3.841 0.020 . 2 . . . A 89 PRO HD3 . 18876 1 865 . 1 1 87 87 PRO CA C 13 63.290 0.400 . 1 . . . A 89 PRO CA . 18876 1 866 . 1 1 87 87 PRO CB C 13 32.126 0.400 . 1 . . . A 89 PRO CB . 18876 1 867 . 1 1 87 87 PRO CG C 13 26.754 0.400 . 1 . . . A 89 PRO CG . 18876 1 868 . 1 1 87 87 PRO CD C 13 50.460 0.400 . 1 . . . A 89 PRO CD . 18876 1 869 . 1 1 88 88 SER H H 1 7.340 0.020 . 1 . . . A 90 SER H . 18876 1 870 . 1 1 88 88 SER HA H 1 5.449 0.020 . 1 . . . A 90 SER HA . 18876 1 871 . 1 1 88 88 SER HB2 H 1 4.089 0.020 . 2 . . . A 90 SER HB2 . 18876 1 872 . 1 1 88 88 SER HB3 H 1 3.630 0.020 . 2 . . . A 90 SER HB3 . 18876 1 873 . 1 1 88 88 SER CA C 13 56.830 0.400 . 1 . . . A 90 SER CA . 18876 1 874 . 1 1 88 88 SER CB C 13 65.061 0.400 . 1 . . . A 90 SER CB . 18876 1 875 . 1 1 88 88 SER N N 15 111.503 0.400 . 1 . . . A 90 SER N . 18876 1 876 . 1 1 89 89 PHE H H 1 8.490 0.020 . 1 . . . A 91 PHE H . 18876 1 877 . 1 1 89 89 PHE HA H 1 4.903 0.020 . 1 . . . A 91 PHE HA . 18876 1 878 . 1 1 89 89 PHE HB2 H 1 3.140 0.020 . 2 . . . A 91 PHE HB2 . 18876 1 879 . 1 1 89 89 PHE HB3 H 1 3.073 0.020 . 2 . . . A 91 PHE HB3 . 18876 1 880 . 1 1 89 89 PHE HD1 H 1 7.128 0.020 . 1 . . . A 91 PHE HD1 . 18876 1 881 . 1 1 89 89 PHE HD2 H 1 7.128 0.020 . 1 . . . A 91 PHE HD2 . 18876 1 882 . 1 1 89 89 PHE HE1 H 1 6.904 0.020 . 1 . . . A 91 PHE HE1 . 18876 1 883 . 1 1 89 89 PHE HE2 H 1 6.904 0.020 . 1 . . . A 91 PHE HE2 . 18876 1 884 . 1 1 89 89 PHE CA C 13 56.704 0.400 . 1 . . . A 91 PHE CA . 18876 1 885 . 1 1 89 89 PHE CB C 13 40.454 0.400 . 1 . . . A 91 PHE CB . 18876 1 886 . 1 1 89 89 PHE CD2 C 13 128.170 0.400 . 1 . . . A 91 PHE CD2 . 18876 1 887 . 1 1 89 89 PHE CE1 C 13 132.741 0.400 . 1 . . . A 91 PHE CE1 . 18876 1 888 . 1 1 89 89 PHE N N 15 114.715 0.400 . 1 . . . A 91 PHE N . 18876 1 889 . 1 1 90 90 SER H H 1 8.746 0.020 . 1 . . . A 92 SER H . 18876 1 890 . 1 1 90 90 SER HA H 1 5.815 0.020 . 1 . . . A 92 SER HA . 18876 1 891 . 1 1 90 90 SER HB2 H 1 3.956 0.020 . 2 . . . A 92 SER HB2 . 18876 1 892 . 1 1 90 90 SER HB3 H 1 3.790 0.020 . 2 . . . A 92 SER HB3 . 18876 1 893 . 1 1 90 90 SER CA C 13 53.850 0.400 . 1 . . . A 92 SER CA . 18876 1 894 . 1 1 90 90 SER CB C 13 64.337 0.400 . 1 . . . A 92 SER CB . 18876 1 895 . 1 1 90 90 SER N N 15 112.135 0.400 . 1 . . . A 92 SER N . 18876 1 896 . 1 1 91 91 VAL H H 1 10.537 0.020 . 1 . . . A 93 VAL H . 18876 1 897 . 1 1 91 91 VAL HA H 1 4.069 0.020 . 1 . . . A 93 VAL HA . 18876 1 898 . 1 1 91 91 VAL HB H 1 2.141 0.020 . 1 . . . A 93 VAL HB . 18876 1 899 . 1 1 91 91 VAL HG11 H 1 1.479 0.020 . 2 . . . A 93 VAL HG11 . 18876 1 900 . 1 1 91 91 VAL HG12 H 1 1.479 0.020 . 2 . . . A 93 VAL HG12 . 18876 1 901 . 1 1 91 91 VAL HG13 H 1 1.479 0.020 . 2 . . . A 93 VAL HG13 . 18876 1 902 . 1 1 91 91 VAL HG21 H 1 1.168 0.020 . 2 . . . A 93 VAL HG21 . 18876 1 903 . 1 1 91 91 VAL HG22 H 1 1.168 0.020 . 2 . . . A 93 VAL HG22 . 18876 1 904 . 1 1 91 91 VAL HG23 H 1 1.168 0.020 . 2 . . . A 93 VAL HG23 . 18876 1 905 . 1 1 91 91 VAL CA C 13 64.409 0.400 . 1 . . . A 93 VAL CA . 18876 1 906 . 1 1 91 91 VAL CB C 13 32.670 0.400 . 1 . . . A 93 VAL CB . 18876 1 907 . 1 1 91 91 VAL CG1 C 13 23.665 0.400 . 1 . . . A 93 VAL CG1 . 18876 1 908 . 1 1 91 91 VAL CG2 C 13 23.239 0.400 . 1 . . . A 93 VAL CG2 . 18876 1 909 . 1 1 91 91 VAL N N 15 128.542 0.400 . 1 . . . A 93 VAL N . 18876 1 910 . 1 1 92 92 LYS H H 1 8.006 0.020 . 1 . . . A 94 LYS H . 18876 1 911 . 1 1 92 92 LYS HA H 1 4.156 0.020 . 1 . . . A 94 LYS HA . 18876 1 912 . 1 1 92 92 LYS HB2 H 1 1.957 0.020 . 2 . . . A 94 LYS HB2 . 18876 1 913 . 1 1 92 92 LYS HB3 H 1 1.550 0.020 . 2 . . . A 94 LYS HB3 . 18876 1 914 . 1 1 92 92 LYS HG2 H 1 1.320 0.020 . 2 . . . A 94 LYS HG2 . 18876 1 915 . 1 1 92 92 LYS HG3 H 1 1.233 0.020 . 2 . . . A 94 LYS HG3 . 18876 1 916 . 1 1 92 92 LYS HD2 H 1 1.473 0.020 . 2 . . . A 94 LYS HD2 . 18876 1 917 . 1 1 92 92 LYS HD3 H 1 1.334 0.020 . 2 . . . A 94 LYS HD3 . 18876 1 918 . 1 1 92 92 LYS HE2 H 1 2.522 0.020 . 2 . . . A 94 LYS HE2 . 18876 1 919 . 1 1 92 92 LYS HE3 H 1 2.267 0.020 . 2 . . . A 94 LYS HE3 . 18876 1 920 . 1 1 92 92 LYS CA C 13 57.434 0.400 . 1 . . . A 94 LYS CA . 18876 1 921 . 1 1 92 92 LYS CB C 13 32.351 0.400 . 1 . . . A 94 LYS CB . 18876 1 922 . 1 1 92 92 LYS CG C 13 25.988 0.400 . 1 . . . A 94 LYS CG . 18876 1 923 . 1 1 92 92 LYS CD C 13 29.018 0.400 . 1 . . . A 94 LYS CD . 18876 1 924 . 1 1 92 92 LYS CE C 13 41.491 0.400 . 1 . . . A 94 LYS CE . 18876 1 925 . 1 1 92 92 LYS N N 15 113.211 0.400 . 1 . . . A 94 LYS N . 18876 1 926 . 1 1 93 93 GLU H H 1 7.610 0.020 . 1 . . . A 95 GLU H . 18876 1 927 . 1 1 93 93 GLU HA H 1 4.541 0.020 . 1 . . . A 95 GLU HA . 18876 1 928 . 1 1 93 93 GLU HB2 H 1 2.404 0.020 . 2 . . . A 95 GLU HB2 . 18876 1 929 . 1 1 93 93 GLU HB3 H 1 2.192 0.020 . 2 . . . A 95 GLU HB3 . 18876 1 930 . 1 1 93 93 GLU HG2 H 1 2.333 0.020 . 2 . . . A 95 GLU HG2 . 18876 1 931 . 1 1 93 93 GLU HG3 H 1 2.171 0.020 . 2 . . . A 95 GLU HG3 . 18876 1 932 . 1 1 93 93 GLU CA C 13 54.536 0.400 . 1 . . . A 95 GLU CA . 18876 1 933 . 1 1 93 93 GLU CB C 13 27.570 0.400 . 1 . . . A 95 GLU CB . 18876 1 934 . 1 1 93 93 GLU CG C 13 36.428 0.400 . 1 . . . A 95 GLU CG . 18876 1 935 . 1 1 93 93 GLU N N 15 120.897 0.400 . 1 . . . A 95 GLU N . 18876 1 936 . 1 1 94 94 HIS H H 1 7.573 0.020 . 1 . . . A 96 HIS H . 18876 1 937 . 1 1 94 94 HIS CA C 13 59.300 0.400 . 1 . . . A 96 HIS CA . 18876 1 938 . 1 1 94 94 HIS CB C 13 31.294 0.400 . 1 . . . A 96 HIS CB . 18876 1 939 . 1 1 94 94 HIS N N 15 120.577 0.400 . 1 . . . A 96 HIS N . 18876 1 940 . 1 1 95 95 ARG HA H 1 4.041 0.020 . 1 . . . A 97 ARG HA . 18876 1 941 . 1 1 95 95 ARG HB2 H 1 1.845 0.020 . 1 . . . A 97 ARG HB2 . 18876 1 942 . 1 1 95 95 ARG HB3 H 1 1.845 0.020 . 1 . . . A 97 ARG HB3 . 18876 1 943 . 1 1 95 95 ARG CA C 13 59.364 0.400 . 1 . . . A 97 ARG CA . 18876 1 944 . 1 1 95 95 ARG CB C 13 28.976 0.400 . 1 . . . A 97 ARG CB . 18876 1 945 . 1 1 95 95 ARG CG C 13 27.066 0.400 . 1 . . . A 97 ARG CG . 18876 1 946 . 1 1 95 95 ARG CD C 13 42.955 0.400 . 1 . . . A 97 ARG CD . 18876 1 947 . 1 1 96 96 LYS H H 1 7.564 0.020 . 1 . . . A 98 LYS H . 18876 1 948 . 1 1 96 96 LYS HA H 1 4.024 0.020 . 1 . . . A 98 LYS HA . 18876 1 949 . 1 1 96 96 LYS HB2 H 1 1.971 0.020 . 1 . . . A 98 LYS HB2 . 18876 1 950 . 1 1 96 96 LYS HB3 H 1 1.971 0.020 . 1 . . . A 98 LYS HB3 . 18876 1 951 . 1 1 96 96 LYS HG2 H 1 1.569 0.020 . 2 . . . A 98 LYS HG2 . 18876 1 952 . 1 1 96 96 LYS HG3 H 1 1.418 0.020 . 2 . . . A 98 LYS HG3 . 18876 1 953 . 1 1 96 96 LYS HD2 H 1 1.752 0.020 . 1 . . . A 98 LYS HD2 . 18876 1 954 . 1 1 96 96 LYS HD3 H 1 1.752 0.020 . 1 . . . A 98 LYS HD3 . 18876 1 955 . 1 1 96 96 LYS HE2 H 1 3.019 0.020 . 1 . . . A 98 LYS HE2 . 18876 1 956 . 1 1 96 96 LYS HE3 H 1 3.019 0.020 . 1 . . . A 98 LYS HE3 . 18876 1 957 . 1 1 96 96 LYS CA C 13 59.445 0.400 . 1 . . . A 98 LYS CA . 18876 1 958 . 1 1 96 96 LYS CB C 13 32.440 0.400 . 1 . . . A 98 LYS CB . 18876 1 959 . 1 1 96 96 LYS CG C 13 25.613 0.400 . 1 . . . A 98 LYS CG . 18876 1 960 . 1 1 96 96 LYS CD C 13 29.505 0.400 . 1 . . . A 98 LYS CD . 18876 1 961 . 1 1 96 96 LYS CE C 13 42.067 0.400 . 1 . . . A 98 LYS CE . 18876 1 962 . 1 1 96 96 LYS N N 15 119.203 0.400 . 1 . . . A 98 LYS N . 18876 1 963 . 1 1 97 97 ILE H H 1 7.534 0.020 . 1 . . . A 99 ILE H . 18876 1 964 . 1 1 97 97 ILE HA H 1 3.158 0.020 . 1 . . . A 99 ILE HA . 18876 1 965 . 1 1 97 97 ILE HB H 1 1.735 0.020 . 1 . . . A 99 ILE HB . 18876 1 966 . 1 1 97 97 ILE HG12 H 1 1.719 0.020 . 2 . . . A 99 ILE HG12 . 18876 1 967 . 1 1 97 97 ILE HG13 H 1 0.696 0.020 . 2 . . . A 99 ILE HG13 . 18876 1 968 . 1 1 97 97 ILE HG21 H 1 0.517 0.020 . 1 . . . A 99 ILE HG21 . 18876 1 969 . 1 1 97 97 ILE HG22 H 1 0.517 0.020 . 1 . . . A 99 ILE HG22 . 18876 1 970 . 1 1 97 97 ILE HG23 H 1 0.517 0.020 . 1 . . . A 99 ILE HG23 . 18876 1 971 . 1 1 97 97 ILE HD11 H 1 1.026 0.020 . 1 . . . A 99 ILE HD11 . 18876 1 972 . 1 1 97 97 ILE HD12 H 1 1.026 0.020 . 1 . . . A 99 ILE HD12 . 18876 1 973 . 1 1 97 97 ILE HD13 H 1 1.026 0.020 . 1 . . . A 99 ILE HD13 . 18876 1 974 . 1 1 97 97 ILE CA C 13 65.558 0.400 . 1 . . . A 99 ILE CA . 18876 1 975 . 1 1 97 97 ILE CB C 13 37.203 0.400 . 1 . . . A 99 ILE CB . 18876 1 976 . 1 1 97 97 ILE CG1 C 13 29.282 0.400 . 1 . . . A 99 ILE CG1 . 18876 1 977 . 1 1 97 97 ILE CG2 C 13 16.662 0.400 . 1 . . . A 99 ILE CG2 . 18876 1 978 . 1 1 97 97 ILE CD1 C 13 15.045 0.400 . 1 . . . A 99 ILE CD1 . 18876 1 979 . 1 1 97 97 ILE N N 15 119.815 0.400 . 1 . . . A 99 ILE N . 18876 1 980 . 1 1 98 98 TYR H H 1 7.822 0.020 . 1 . . . A 100 TYR H . 18876 1 981 . 1 1 98 98 TYR HA H 1 3.844 0.020 . 1 . . . A 100 TYR HA . 18876 1 982 . 1 1 98 98 TYR HB2 H 1 2.932 0.020 . 1 . . . A 100 TYR HB2 . 18876 1 983 . 1 1 98 98 TYR HB3 H 1 2.932 0.020 . 1 . . . A 100 TYR HB3 . 18876 1 984 . 1 1 98 98 TYR HD1 H 1 7.001 0.020 . 1 . . . A 100 TYR HD1 . 18876 1 985 . 1 1 98 98 TYR HD2 H 1 7.001 0.020 . 1 . . . A 100 TYR HD2 . 18876 1 986 . 1 1 98 98 TYR HE1 H 1 6.562 0.020 . 1 . . . A 100 TYR HE1 . 18876 1 987 . 1 1 98 98 TYR HE2 H 1 6.562 0.020 . 1 . . . A 100 TYR HE2 . 18876 1 988 . 1 1 98 98 TYR CA C 13 62.399 0.400 . 1 . . . A 100 TYR CA . 18876 1 989 . 1 1 98 98 TYR CB C 13 36.968 0.400 . 1 . . . A 100 TYR CB . 18876 1 990 . 1 1 98 98 TYR CD2 C 13 132.214 0.400 . 1 . . . A 100 TYR CD2 . 18876 1 991 . 1 1 98 98 TYR CE2 C 13 117.584 0.400 . 1 . . . A 100 TYR CE2 . 18876 1 992 . 1 1 98 98 TYR N N 15 117.378 0.400 . 1 . . . A 100 TYR N . 18876 1 993 . 1 1 99 99 THR H H 1 8.150 0.020 . 1 . . . A 101 THR H . 18876 1 994 . 1 1 99 99 THR HA H 1 3.897 0.020 . 1 . . . A 101 THR HA . 18876 1 995 . 1 1 99 99 THR HB H 1 4.255 0.020 . 1 . . . A 101 THR HB . 18876 1 996 . 1 1 99 99 THR HG21 H 1 1.236 0.020 . 1 . . . A 101 THR HG21 . 18876 1 997 . 1 1 99 99 THR HG22 H 1 1.236 0.020 . 1 . . . A 101 THR HG22 . 18876 1 998 . 1 1 99 99 THR HG23 H 1 1.236 0.020 . 1 . . . A 101 THR HG23 . 18876 1 999 . 1 1 99 99 THR CA C 13 67.236 0.400 . 1 . . . A 101 THR CA . 18876 1 1000 . 1 1 99 99 THR CB C 13 68.781 0.400 . 1 . . . A 101 THR CB . 18876 1 1001 . 1 1 99 99 THR CG2 C 13 21.654 0.400 . 1 . . . A 101 THR CG2 . 18876 1 1002 . 1 1 99 99 THR N N 15 114.634 0.400 . 1 . . . A 101 THR N . 18876 1 1003 . 1 1 100 100 MET H H 1 7.741 0.020 . 1 . . . A 102 MET H . 18876 1 1004 . 1 1 100 100 MET HA H 1 3.692 0.020 . 1 . . . A 102 MET HA . 18876 1 1005 . 1 1 100 100 MET HE1 H 1 1.218 0.020 . 1 . . . A 102 MET HE1 . 18876 1 1006 . 1 1 100 100 MET HE2 H 1 1.218 0.020 . 1 . . . A 102 MET HE2 . 18876 1 1007 . 1 1 100 100 MET HE3 H 1 1.218 0.020 . 1 . . . A 102 MET HE3 . 18876 1 1008 . 1 1 100 100 MET CA C 13 59.971 0.400 . 1 . . . A 102 MET CA . 18876 1 1009 . 1 1 100 100 MET CB C 13 30.449 0.400 . 1 . . . A 102 MET CB . 18876 1 1010 . 1 1 100 100 MET CE C 13 15.407 0.400 . 1 . . . A 102 MET CE . 18876 1 1011 . 1 1 100 100 MET N N 15 120.935 0.400 . 1 . . . A 102 MET N . 18876 1 1012 . 1 1 101 101 ILE H H 1 7.924 0.020 . 1 . . . A 103 ILE H . 18876 1 1013 . 1 1 101 101 ILE HA H 1 3.405 0.020 . 1 . . . A 103 ILE HA . 18876 1 1014 . 1 1 101 101 ILE HB H 1 1.762 0.020 . 1 . . . A 103 ILE HB . 18876 1 1015 . 1 1 101 101 ILE HG12 H 1 1.859 0.020 . 2 . . . A 103 ILE HG12 . 18876 1 1016 . 1 1 101 101 ILE HG13 H 1 0.641 0.020 . 2 . . . A 103 ILE HG13 . 18876 1 1017 . 1 1 101 101 ILE HG21 H 1 0.701 0.020 . 1 . . . A 103 ILE HG21 . 18876 1 1018 . 1 1 101 101 ILE HG22 H 1 0.701 0.020 . 1 . . . A 103 ILE HG22 . 18876 1 1019 . 1 1 101 101 ILE HG23 H 1 0.701 0.020 . 1 . . . A 103 ILE HG23 . 18876 1 1020 . 1 1 101 101 ILE HD11 H 1 0.654 0.020 . 1 . . . A 103 ILE HD11 . 18876 1 1021 . 1 1 101 101 ILE HD12 H 1 0.654 0.020 . 1 . . . A 103 ILE HD12 . 18876 1 1022 . 1 1 101 101 ILE HD13 H 1 0.654 0.020 . 1 . . . A 103 ILE HD13 . 18876 1 1023 . 1 1 101 101 ILE CA C 13 66.696 0.400 . 1 . . . A 103 ILE CA . 18876 1 1024 . 1 1 101 101 ILE CB C 13 37.731 0.400 . 1 . . . A 103 ILE CB . 18876 1 1025 . 1 1 101 101 ILE CG1 C 13 29.937 0.400 . 1 . . . A 103 ILE CG1 . 18876 1 1026 . 1 1 101 101 ILE CG2 C 13 17.296 0.400 . 1 . . . A 103 ILE CG2 . 18876 1 1027 . 1 1 101 101 ILE CD1 C 13 15.067 0.400 . 1 . . . A 103 ILE CD1 . 18876 1 1028 . 1 1 101 101 ILE N N 15 119.603 0.400 . 1 . . . A 103 ILE N . 18876 1 1029 . 1 1 102 102 TYR H H 1 8.863 0.020 . 1 . . . A 104 TYR H . 18876 1 1030 . 1 1 102 102 TYR HA H 1 4.143 0.020 . 1 . . . A 104 TYR HA . 18876 1 1031 . 1 1 102 102 TYR HB2 H 1 3.154 0.020 . 2 . . . A 104 TYR HB2 . 18876 1 1032 . 1 1 102 102 TYR HB3 H 1 3.119 0.020 . 2 . . . A 104 TYR HB3 . 18876 1 1033 . 1 1 102 102 TYR HD1 H 1 7.146 0.020 . 1 . . . A 104 TYR HD1 . 18876 1 1034 . 1 1 102 102 TYR HD2 H 1 7.146 0.020 . 1 . . . A 104 TYR HD2 . 18876 1 1035 . 1 1 102 102 TYR HE1 H 1 6.791 0.020 . 1 . . . A 104 TYR HE1 . 18876 1 1036 . 1 1 102 102 TYR HE2 H 1 6.791 0.020 . 1 . . . A 104 TYR HE2 . 18876 1 1037 . 1 1 102 102 TYR CA C 13 61.474 0.400 . 1 . . . A 104 TYR CA . 18876 1 1038 . 1 1 102 102 TYR CB C 13 37.360 0.400 . 1 . . . A 104 TYR CB . 18876 1 1039 . 1 1 102 102 TYR CD1 C 13 132.531 0.400 . 1 . . . A 104 TYR CD1 . 18876 1 1040 . 1 1 102 102 TYR CE2 C 13 117.793 0.400 . 1 . . . A 104 TYR CE2 . 18876 1 1041 . 1 1 102 102 TYR N N 15 119.183 0.400 . 1 . . . A 104 TYR N . 18876 1 1042 . 1 1 103 103 ARG H H 1 7.540 0.020 . 1 . . . A 105 ARG H . 18876 1 1043 . 1 1 103 103 ARG HA H 1 4.347 0.020 . 1 . . . A 105 ARG HA . 18876 1 1044 . 1 1 103 103 ARG HB2 H 1 1.994 0.020 . 1 . . . A 105 ARG HB2 . 18876 1 1045 . 1 1 103 103 ARG HB3 H 1 1.994 0.020 . 1 . . . A 105 ARG HB3 . 18876 1 1046 . 1 1 103 103 ARG HG2 H 1 1.844 0.020 . 1 . . . A 105 ARG HG2 . 18876 1 1047 . 1 1 103 103 ARG HG3 H 1 1.844 0.020 . 1 . . . A 105 ARG HG3 . 18876 1 1048 . 1 1 103 103 ARG HD2 H 1 3.221 0.020 . 1 . . . A 105 ARG HD2 . 18876 1 1049 . 1 1 103 103 ARG HD3 H 1 3.221 0.020 . 1 . . . A 105 ARG HD3 . 18876 1 1050 . 1 1 103 103 ARG CA C 13 58.366 0.400 . 1 . . . A 105 ARG CA . 18876 1 1051 . 1 1 103 103 ARG CB C 13 30.345 0.400 . 1 . . . A 105 ARG CB . 18876 1 1052 . 1 1 103 103 ARG CG C 13 27.727 0.400 . 1 . . . A 105 ARG CG . 18876 1 1053 . 1 1 103 103 ARG CD C 13 43.836 0.400 . 1 . . . A 105 ARG CD . 18876 1 1054 . 1 1 103 103 ARG N N 15 116.526 0.400 . 1 . . . A 105 ARG N . 18876 1 1055 . 1 1 104 104 ASN H H 1 8.369 0.020 . 1 . . . A 106 ASN H . 18876 1 1056 . 1 1 104 104 ASN HA H 1 4.828 0.020 . 1 . . . A 106 ASN HA . 18876 1 1057 . 1 1 104 104 ASN HB2 H 1 3.181 0.020 . 2 . . . A 106 ASN HB2 . 18876 1 1058 . 1 1 104 104 ASN HB3 H 1 2.653 0.020 . 2 . . . A 106 ASN HB3 . 18876 1 1059 . 1 1 104 104 ASN HD21 H 1 7.752 0.020 . 2 . . . A 106 ASN HD21 . 18876 1 1060 . 1 1 104 104 ASN HD22 H 1 7.113 0.020 . 2 . . . A 106 ASN HD22 . 18876 1 1061 . 1 1 104 104 ASN CA C 13 54.375 0.400 . 1 . . . A 106 ASN CA . 18876 1 1062 . 1 1 104 104 ASN CB C 13 41.987 0.400 . 1 . . . A 106 ASN CB . 18876 1 1063 . 1 1 104 104 ASN N N 15 117.310 0.400 . 1 . . . A 106 ASN N . 18876 1 1064 . 1 1 104 104 ASN ND2 N 15 115.181 0.400 . 1 . . . A 106 ASN ND2 . 18876 1 1065 . 1 1 105 105 LEU H H 1 7.295 0.020 . 1 . . . A 107 LEU H . 18876 1 1066 . 1 1 105 105 LEU HA H 1 4.998 0.020 . 1 . . . A 107 LEU HA . 18876 1 1067 . 1 1 105 105 LEU HB2 H 1 1.787 0.020 . 2 . . . A 107 LEU HB2 . 18876 1 1068 . 1 1 105 105 LEU HB3 H 1 1.440 0.020 . 2 . . . A 107 LEU HB3 . 18876 1 1069 . 1 1 105 105 LEU HG H 1 2.077 0.020 . 1 . . . A 107 LEU HG . 18876 1 1070 . 1 1 105 105 LEU HD11 H 1 0.590 0.020 . 2 . . . A 107 LEU HD11 . 18876 1 1071 . 1 1 105 105 LEU HD12 H 1 0.590 0.020 . 2 . . . A 107 LEU HD12 . 18876 1 1072 . 1 1 105 105 LEU HD13 H 1 0.590 0.020 . 2 . . . A 107 LEU HD13 . 18876 1 1073 . 1 1 105 105 LEU HD21 H 1 0.721 0.020 . 2 . . . A 107 LEU HD21 . 18876 1 1074 . 1 1 105 105 LEU HD22 H 1 0.721 0.020 . 2 . . . A 107 LEU HD22 . 18876 1 1075 . 1 1 105 105 LEU HD23 H 1 0.721 0.020 . 2 . . . A 107 LEU HD23 . 18876 1 1076 . 1 1 105 105 LEU CA C 13 53.585 0.400 . 1 . . . A 107 LEU CA . 18876 1 1077 . 1 1 105 105 LEU CB C 13 43.653 0.400 . 1 . . . A 107 LEU CB . 18876 1 1078 . 1 1 105 105 LEU CD1 C 13 22.074 0.400 . 1 . . . A 107 LEU CD1 . 18876 1 1079 . 1 1 105 105 LEU CD2 C 13 25.737 0.400 . 1 . . . A 107 LEU CD2 . 18876 1 1080 . 1 1 105 105 LEU N N 15 118.221 0.400 . 1 . . . A 107 LEU N . 18876 1 1081 . 1 1 106 106 VAL H H 1 9.067 0.020 . 1 . . . A 108 VAL H . 18876 1 1082 . 1 1 106 106 VAL HA H 1 3.973 0.020 . 1 . . . A 108 VAL HA . 18876 1 1083 . 1 1 106 106 VAL HB H 1 2.064 0.020 . 1 . . . A 108 VAL HB . 18876 1 1084 . 1 1 106 106 VAL HG11 H 1 0.961 0.020 . 1 . . . A 108 VAL HG11 . 18876 1 1085 . 1 1 106 106 VAL HG12 H 1 0.961 0.020 . 1 . . . A 108 VAL HG12 . 18876 1 1086 . 1 1 106 106 VAL HG13 H 1 0.961 0.020 . 1 . . . A 108 VAL HG13 . 18876 1 1087 . 1 1 106 106 VAL CA C 13 63.403 0.400 . 1 . . . A 108 VAL CA . 18876 1 1088 . 1 1 106 106 VAL CB C 13 32.361 0.400 . 1 . . . A 108 VAL CB . 18876 1 1089 . 1 1 106 106 VAL CG1 C 13 21.606 0.400 . 1 . . . A 108 VAL CG1 . 18876 1 1090 . 1 1 106 106 VAL N N 15 122.315 0.400 . 1 . . . A 108 VAL N . 18876 1 1091 . 1 1 107 107 VAL H H 1 8.000 0.020 . 1 . . . A 109 VAL H . 18876 1 1092 . 1 1 107 107 VAL HA H 1 4.165 0.020 . 1 . . . A 109 VAL HA . 18876 1 1093 . 1 1 107 107 VAL HB H 1 2.102 0.020 . 1 . . . A 109 VAL HB . 18876 1 1094 . 1 1 107 107 VAL HG11 H 1 0.939 0.020 . 2 . . . A 109 VAL HG11 . 18876 1 1095 . 1 1 107 107 VAL HG12 H 1 0.939 0.020 . 2 . . . A 109 VAL HG12 . 18876 1 1096 . 1 1 107 107 VAL HG13 H 1 0.939 0.020 . 2 . . . A 109 VAL HG13 . 18876 1 1097 . 1 1 107 107 VAL HG21 H 1 0.918 0.020 . 2 . . . A 109 VAL HG21 . 18876 1 1098 . 1 1 107 107 VAL HG22 H 1 0.918 0.020 . 2 . . . A 109 VAL HG22 . 18876 1 1099 . 1 1 107 107 VAL HG23 H 1 0.918 0.020 . 2 . . . A 109 VAL HG23 . 18876 1 1100 . 1 1 107 107 VAL CA C 13 63.726 0.400 . 1 . . . A 109 VAL CA . 18876 1 1101 . 1 1 107 107 VAL CB C 13 33.592 0.400 . 1 . . . A 109 VAL CB . 18876 1 1102 . 1 1 107 107 VAL CG1 C 13 21.740 0.400 . 1 . . . A 109 VAL CG1 . 18876 1 1103 . 1 1 107 107 VAL CG2 C 13 20.258 0.400 . 1 . . . A 109 VAL CG2 . 18876 1 1104 . 1 1 107 107 VAL N N 15 131.242 0.400 . 1 . . . A 109 VAL N . 18876 1 1105 . 2 2 1 1 ASP H H 1 8.628 0.020 . 1 . . . . 301 ASP H . 18876 1 1106 . 2 2 1 1 ASP HA H 1 4.650 0.020 . 1 . . . . 301 ASP HA . 18876 1 1107 . 2 2 1 1 ASP HB2 H 1 2.712 0.020 . 1 . . . . 301 ASP HB2 . 18876 1 1108 . 2 2 1 1 ASP HB3 H 1 2.712 0.020 . 1 . . . . 301 ASP HB3 . 18876 1 1109 . 2 2 1 1 ASP CA C 13 54.340 0.400 . 1 . . . . 301 ASP CA . 18876 1 1110 . 2 2 1 1 ASP CB C 13 41.181 0.400 . 1 . . . . 301 ASP CB . 18876 1 1111 . 2 2 1 1 ASP N N 15 122.515 0.400 . 1 . . . . 301 ASP N . 18876 1 1112 . 2 2 2 2 GLY H H 1 8.530 0.020 . 1 . . . . 302 GLY H . 18876 1 1113 . 2 2 2 2 GLY HA2 H 1 3.953 0.020 . 2 . . . . 302 GLY HA2 . 18876 1 1114 . 2 2 2 2 GLY HA3 H 1 3.959 0.020 . 2 . . . . 302 GLY HA3 . 18876 1 1115 . 2 2 2 2 GLY CA C 13 45.579 0.400 . 1 . . . . 302 GLY CA . 18876 1 1116 . 2 2 2 2 GLY N N 15 109.641 0.400 . 1 . . . . 302 GLY N . 18876 1 1117 . 2 2 3 3 GLY H H 1 8.387 0.020 . 1 . . . . 303 GLY H . 18876 1 1118 . 2 2 3 3 GLY HA2 H 1 3.895 0.020 . 2 . . . . 303 GLY HA2 . 18876 1 1119 . 2 2 3 3 GLY HA3 H 1 3.832 0.020 . 2 . . . . 303 GLY HA3 . 18876 1 1120 . 2 2 3 3 GLY CA C 13 45.388 0.400 . 1 . . . . 303 GLY CA . 18876 1 1121 . 2 2 3 3 GLY N N 15 108.879 0.400 . 1 . . . . 303 GLY N . 18876 1 1122 . 2 2 4 4 THR H H 1 8.192 0.020 . 1 . . . . 304 THR H . 18876 1 1123 . 2 2 4 4 THR HA H 1 4.172 0.020 . 1 . . . . 304 THR HA . 18876 1 1124 . 2 2 4 4 THR HB H 1 4.334 0.020 . 1 . . . . 304 THR HB . 18876 1 1125 . 2 2 4 4 THR HG21 H 1 1.241 0.020 . 1 . . . . 304 THR HG21 . 18876 1 1126 . 2 2 4 4 THR HG22 H 1 1.241 0.020 . 1 . . . . 304 THR HG22 . 18876 1 1127 . 2 2 4 4 THR HG23 H 1 1.241 0.020 . 1 . . . . 304 THR HG23 . 18876 1 1128 . 2 2 4 4 THR CA C 13 61.902 0.400 . 1 . . . . 304 THR CA . 18876 1 1129 . 2 2 4 4 THR CB C 13 69.727 0.400 . 1 . . . . 304 THR CB . 18876 1 1130 . 2 2 4 4 THR CG2 C 13 21.921 0.400 . 1 . . . . 304 THR CG2 . 18876 1 1131 . 2 2 4 4 THR N N 15 113.007 0.400 . 1 . . . . 304 THR N . 18876 1 1132 . 2 2 5 5 THR H H 1 7.979 0.020 . 1 . . . . 305 THR H . 18876 1 1133 . 2 2 5 5 THR HA H 1 4.428 0.020 . 1 . . . . 305 THR HA . 18876 1 1134 . 2 2 5 5 THR HG21 H 1 1.251 0.020 . 1 . . . . 305 THR HG21 . 18876 1 1135 . 2 2 5 5 THR HG22 H 1 1.251 0.020 . 1 . . . . 305 THR HG22 . 18876 1 1136 . 2 2 5 5 THR HG23 H 1 1.251 0.020 . 1 . . . . 305 THR HG23 . 18876 1 1137 . 2 2 5 5 THR CA C 13 61.912 0.400 . 1 . . . . 305 THR CA . 18876 1 1138 . 2 2 5 5 THR N N 15 115.291 0.400 . 1 . . . . 305 THR N . 18876 1 1139 . 2 2 6 6 PHE H H 1 8.984 0.020 . 1 . . . . 306 PHE H . 18876 1 1140 . 2 2 6 6 PHE HA H 1 3.678 0.020 . 1 . . . . 306 PHE HA . 18876 1 1141 . 2 2 6 6 PHE HB2 H 1 2.530 0.020 . 2 . . . . 306 PHE HB2 . 18876 1 1142 . 2 2 6 6 PHE HB3 H 1 2.016 0.020 . 2 . . . . 306 PHE HB3 . 18876 1 1143 . 2 2 6 6 PHE HD1 H 1 6.692 0.020 . 1 . . . . 306 PHE HD1 . 18876 1 1144 . 2 2 6 6 PHE HD2 H 1 6.692 0.020 . 1 . . . . 306 PHE HD2 . 18876 1 1145 . 2 2 6 6 PHE HE1 H 1 6.905 0.020 . 1 . . . . 306 PHE HE1 . 18876 1 1146 . 2 2 6 6 PHE HE2 H 1 6.905 0.020 . 1 . . . . 306 PHE HE2 . 18876 1 1147 . 2 2 6 6 PHE HZ H 1 6.984 0.020 . 1 . . . . 306 PHE HZ . 18876 1 1148 . 2 2 6 6 PHE CA C 13 62.715 0.400 . 1 . . . . 306 PHE CA . 18876 1 1149 . 2 2 6 6 PHE CB C 13 38.050 0.400 . 1 . . . . 306 PHE CB . 18876 1 1150 . 2 2 6 6 PHE CZ C 13 119.387 0.400 . 1 . . . . 306 PHE CZ . 18876 1 1151 . 2 2 6 6 PHE N N 15 122.586 0.400 . 1 . . . . 306 PHE N . 18876 1 1152 . 2 2 7 7 GLU HA H 1 3.590 0.020 . 1 . . . . 307 GLU HA . 18876 1 1153 . 2 2 7 7 GLU HB2 H 1 2.105 0.020 . 2 . . . . 307 GLU HB2 . 18876 1 1154 . 2 2 7 7 GLU HB3 H 1 1.943 0.020 . 2 . . . . 307 GLU HB3 . 18876 1 1155 . 2 2 7 7 GLU HG2 H 1 2.298 0.020 . 2 . . . . 307 GLU HG2 . 18876 1 1156 . 2 2 7 7 GLU HG3 H 1 2.243 0.020 . 2 . . . . 307 GLU HG3 . 18876 1 1157 . 2 2 7 7 GLU CA C 13 60.104 0.400 . 1 . . . . 307 GLU CA . 18876 1 1158 . 2 2 7 7 GLU CB C 13 29.533 0.400 . 1 . . . . 307 GLU CB . 18876 1 1159 . 2 2 7 7 GLU CG C 13 36.703 0.400 . 1 . . . . 307 GLU CG . 18876 1 1160 . 2 2 8 8 HIS H H 1 7.629 0.020 . 1 . . . . 308 HIS H . 18876 1 1161 . 2 2 8 8 HIS HA H 1 4.311 0.020 . 1 . . . . 308 HIS HA . 18876 1 1162 . 2 2 8 8 HIS HB2 H 1 3.156 0.020 . 1 . . . . 308 HIS HB2 . 18876 1 1163 . 2 2 8 8 HIS HB3 H 1 3.156 0.020 . 1 . . . . 308 HIS HB3 . 18876 1 1164 . 2 2 8 8 HIS CA C 13 58.979 0.400 . 1 . . . . 308 HIS CA . 18876 1 1165 . 2 2 8 8 HIS CB C 13 30.104 0.400 . 1 . . . . 308 HIS CB . 18876 1 1166 . 2 2 8 8 HIS N N 15 118.645 0.400 . 1 . . . . 308 HIS N . 18876 1 1167 . 2 2 9 9 LEU H H 1 8.291 0.020 . 1 . . . . 309 LEU H . 18876 1 1168 . 2 2 9 9 LEU HA H 1 3.859 0.020 . 1 . . . . 309 LEU HA . 18876 1 1169 . 2 2 9 9 LEU HB2 H 1 1.755 0.020 . 2 . . . . 309 LEU HB2 . 18876 1 1170 . 2 2 9 9 LEU HB3 H 1 1.140 0.020 . 2 . . . . 309 LEU HB3 . 18876 1 1171 . 2 2 9 9 LEU HG H 1 1.698 0.020 . 1 . . . . 309 LEU HG . 18876 1 1172 . 2 2 9 9 LEU HD11 H 1 0.813 0.020 . 2 . . . . 309 LEU HD11 . 18876 1 1173 . 2 2 9 9 LEU HD12 H 1 0.813 0.020 . 2 . . . . 309 LEU HD12 . 18876 1 1174 . 2 2 9 9 LEU HD13 H 1 0.813 0.020 . 2 . . . . 309 LEU HD13 . 18876 1 1175 . 2 2 9 9 LEU HD21 H 1 0.720 0.020 . 2 . . . . 309 LEU HD21 . 18876 1 1176 . 2 2 9 9 LEU HD22 H 1 0.720 0.020 . 2 . . . . 309 LEU HD22 . 18876 1 1177 . 2 2 9 9 LEU HD23 H 1 0.720 0.020 . 2 . . . . 309 LEU HD23 . 18876 1 1178 . 2 2 9 9 LEU CA C 13 57.689 0.400 . 1 . . . . 309 LEU CA . 18876 1 1179 . 2 2 9 9 LEU CB C 13 42.394 0.400 . 1 . . . . 309 LEU CB . 18876 1 1180 . 2 2 9 9 LEU CG C 13 26.656 0.400 . 1 . . . . 309 LEU CG . 18876 1 1181 . 2 2 9 9 LEU CD1 C 13 23.276 0.400 . 1 . . . . 309 LEU CD1 . 18876 1 1182 . 2 2 9 9 LEU CD2 C 13 26.603 0.400 . 1 . . . . 309 LEU CD2 . 18876 1 1183 . 2 2 9 9 LEU N N 15 121.826 0.400 . 1 . . . . 309 LEU N . 18876 1 1184 . 2 2 10 10 TRP H H 1 9.264 0.020 . 1 . . . . 310 TRP H . 18876 1 1185 . 2 2 10 10 TRP HA H 1 3.681 0.020 . 1 . . . . 310 TRP HA . 18876 1 1186 . 2 2 10 10 TRP HB2 H 1 2.658 0.020 . 2 . . . . 310 TRP HB2 . 18876 1 1187 . 2 2 10 10 TRP HB3 H 1 2.218 0.020 . 2 . . . . 310 TRP HB3 . 18876 1 1188 . 2 2 10 10 TRP HD1 H 1 7.048 0.020 . 1 . . . . 310 TRP HD1 . 18876 1 1189 . 2 2 10 10 TRP HE1 H 1 9.876 0.020 . 1 . . . . 310 TRP HE1 . 18876 1 1190 . 2 2 10 10 TRP HE3 H 1 7.423 0.020 . 1 . . . . 310 TRP HE3 . 18876 1 1191 . 2 2 10 10 TRP HZ2 H 1 6.900 0.020 . 1 . . . . 310 TRP HZ2 . 18876 1 1192 . 2 2 10 10 TRP CA C 13 59.799 0.400 . 1 . . . . 310 TRP CA . 18876 1 1193 . 2 2 10 10 TRP CB C 13 28.823 0.400 . 1 . . . . 310 TRP CB . 18876 1 1194 . 2 2 10 10 TRP CD1 C 13 126.694 0.400 . 1 . . . . 310 TRP CD1 . 18876 1 1195 . 2 2 10 10 TRP CE3 C 13 114.341 0.400 . 1 . . . . 310 TRP CE3 . 18876 1 1196 . 2 2 10 10 TRP CZ2 C 13 122.317 0.400 . 1 . . . . 310 TRP CZ2 . 18876 1 1197 . 2 2 10 10 TRP N N 15 122.242 0.400 . 1 . . . . 310 TRP N . 18876 1 1198 . 2 2 10 10 TRP NE1 N 15 128.651 0.400 . 1 . . . . 310 TRP NE1 . 18876 1 1199 . 2 2 11 11 SER H H 1 7.807 0.020 . 1 . . . . 311 SER H . 18876 1 1200 . 2 2 11 11 SER HA H 1 4.222 0.020 . 1 . . . . 311 SER HA . 18876 1 1201 . 2 2 11 11 SER HB2 H 1 4.039 0.020 . 1 . . . . 311 SER HB2 . 18876 1 1202 . 2 2 11 11 SER HB3 H 1 4.039 0.020 . 1 . . . . 311 SER HB3 . 18876 1 1203 . 2 2 11 11 SER CA C 13 61.035 0.400 . 1 . . . . 311 SER CA . 18876 1 1204 . 2 2 11 11 SER CB C 13 63.199 0.400 . 1 . . . . 311 SER CB . 18876 1 1205 . 2 2 11 11 SER N N 15 112.323 0.400 . 1 . . . . 311 SER N . 18876 1 1206 . 2 2 12 12 SER H H 1 7.181 0.020 . 1 . . . . 312 SER H . 18876 1 1207 . 2 2 12 12 SER HA H 1 4.346 0.020 . 1 . . . . 312 SER HA . 18876 1 1208 . 2 2 12 12 SER HB2 H 1 3.904 0.020 . 1 . . . . 312 SER HB2 . 18876 1 1209 . 2 2 12 12 SER HB3 H 1 3.904 0.020 . 1 . . . . 312 SER HB3 . 18876 1 1210 . 2 2 12 12 SER CA C 13 58.947 0.400 . 1 . . . . 312 SER CA . 18876 1 1211 . 2 2 12 12 SER CB C 13 63.667 0.400 . 1 . . . . 312 SER CB . 18876 1 1212 . 2 2 12 12 SER N N 15 115.087 0.400 . 1 . . . . 312 SER N . 18876 1 1213 . 2 2 13 13 LEU H H 1 6.958 0.020 . 1 . . . . 313 LEU H . 18876 1 1214 . 2 2 13 13 LEU HA H 1 3.359 0.020 . 1 . . . . 313 LEU HA . 18876 1 1215 . 2 2 13 13 LEU HB2 H 1 1.161 0.020 . 2 . . . . 313 LEU HB2 . 18876 1 1216 . 2 2 13 13 LEU HB3 H 1 1.053 0.020 . 2 . . . . 313 LEU HB3 . 18876 1 1217 . 2 2 13 13 LEU HG H 1 1.012 0.020 . 1 . . . . 313 LEU HG . 18876 1 1218 . 2 2 13 13 LEU HD11 H 1 0.205 0.020 . 2 . . . . 313 LEU HD11 . 18876 1 1219 . 2 2 13 13 LEU HD12 H 1 0.205 0.020 . 2 . . . . 313 LEU HD12 . 18876 1 1220 . 2 2 13 13 LEU HD13 H 1 0.205 0.020 . 2 . . . . 313 LEU HD13 . 18876 1 1221 . 2 2 13 13 LEU HD21 H 1 -0.155 0.020 . 2 . . . . 313 LEU HD21 . 18876 1 1222 . 2 2 13 13 LEU HD22 H 1 -0.155 0.020 . 2 . . . . 313 LEU HD22 . 18876 1 1223 . 2 2 13 13 LEU HD23 H 1 -0.155 0.020 . 2 . . . . 313 LEU HD23 . 18876 1 1224 . 2 2 13 13 LEU CA C 13 56.754 0.400 . 1 . . . . 313 LEU CA . 18876 1 1225 . 2 2 13 13 LEU CB C 13 41.431 0.400 . 1 . . . . 313 LEU CB . 18876 1 1226 . 2 2 13 13 LEU CG C 13 27.637 0.400 . 1 . . . . 313 LEU CG . 18876 1 1227 . 2 2 13 13 LEU CD1 C 13 24.386 0.400 . 1 . . . . 313 LEU CD1 . 18876 1 1228 . 2 2 13 13 LEU CD2 C 13 24.432 0.400 . 1 . . . . 313 LEU CD2 . 18876 1 1229 . 2 2 13 13 LEU N N 15 122.467 0.400 . 1 . . . . 313 LEU N . 18876 1 1230 . 2 2 14 14 GLU H H 1 7.547 0.020 . 1 . . . . 314 GLU H . 18876 1 1231 . 2 2 14 14 GLU HA H 1 4.541 0.020 . 1 . . . . 314 GLU HA . 18876 1 1232 . 2 2 14 14 GLU HB2 H 1 1.952 0.020 . 2 . . . . 314 GLU HB2 . 18876 1 1233 . 2 2 14 14 GLU HB3 H 1 1.765 0.020 . 2 . . . . 314 GLU HB3 . 18876 1 1234 . 2 2 14 14 GLU HG2 H 1 2.184 0.020 . 1 . . . . 314 GLU HG2 . 18876 1 1235 . 2 2 14 14 GLU HG3 H 1 2.184 0.020 . 1 . . . . 314 GLU HG3 . 18876 1 1236 . 2 2 14 14 GLU CA C 13 53.819 0.400 . 1 . . . . 314 GLU CA . 18876 1 1237 . 2 2 14 14 GLU CB C 13 30.847 0.400 . 1 . . . . 314 GLU CB . 18876 1 1238 . 2 2 14 14 GLU CG C 13 35.857 0.400 . 1 . . . . 314 GLU CG . 18876 1 1239 . 2 2 14 14 GLU N N 15 122.905 0.400 . 1 . . . . 314 GLU N . 18876 1 1240 . 2 2 15 15 PRO HA H 1 3.961 0.020 . 1 . . . . 315 PRO HA . 18876 1 1241 . 2 2 15 15 PRO HB2 H 1 1.853 0.020 . 2 . . . . 315 PRO HB2 . 18876 1 1242 . 2 2 15 15 PRO HB3 H 1 1.798 0.020 . 2 . . . . 315 PRO HB3 . 18876 1 1243 . 2 2 15 15 PRO HG2 H 1 1.905 0.020 . 2 . . . . 315 PRO HG2 . 18876 1 1244 . 2 2 15 15 PRO HG3 H 1 1.687 0.020 . 2 . . . . 315 PRO HG3 . 18876 1 1245 . 2 2 15 15 PRO HD2 H 1 3.599 0.020 . 2 . . . . 315 PRO HD2 . 18876 1 1246 . 2 2 15 15 PRO HD3 H 1 3.552 0.020 . 2 . . . . 315 PRO HD3 . 18876 1 1247 . 2 2 15 15 PRO CA C 13 63.077 0.400 . 1 . . . . 315 PRO CA . 18876 1 1248 . 2 2 15 15 PRO CB C 13 31.711 0.400 . 1 . . . . 315 PRO CB . 18876 1 1249 . 2 2 15 15 PRO CG C 13 27.046 0.400 . 1 . . . . 315 PRO CG . 18876 1 1250 . 2 2 15 15 PRO CD C 13 50.227 0.400 . 1 . . . . 315 PRO CD . 18876 1 1251 . 2 2 16 16 ASP H H 1 7.738 0.020 . 1 . . . . 316 ASP H . 18876 1 1252 . 2 2 16 16 ASP HA H 1 4.253 0.020 . 1 . . . . 316 ASP HA . 18876 1 1253 . 2 2 16 16 ASP HB2 H 1 2.496 0.020 . 2 . . . . 316 ASP HB2 . 18876 1 1254 . 2 2 16 16 ASP HB3 H 1 2.421 0.020 . 2 . . . . 316 ASP HB3 . 18876 1 1255 . 2 2 16 16 ASP CA C 13 55.694 0.400 . 1 . . . . 316 ASP CA . 18876 1 1256 . 2 2 16 16 ASP CB C 13 42.089 0.400 . 1 . . . . 316 ASP CB . 18876 1 1257 . 2 2 16 16 ASP N N 15 125.509 0.400 . 1 . . . . 316 ASP N . 18876 1 stop_ save_