data_6612 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6612 _Entry.Title ; NMR structure of unliagnded MDM2 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2005-04-28 _Entry.Accession_date 2005-05-12 _Entry.Last_release_date 2005-10-27 _Entry.Original_release_date 2005-10-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 S. Uhrinova . . . 6612 2 D. Uhrin . . . 6612 3 H. Powers . . . 6612 4 K. Watt . . . 6612 5 D. Zheleva . . . 6612 6 P. Fischer . . . 6612 7 C. McInnes . . . 6612 8 P. Barlow . N. . 6612 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6612 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 719 6612 '13C chemical shifts' 320 6612 '15N chemical shifts' 103 6612 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 . . 2005-10-27 2005-04-28 original author . 6612 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6612 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15953616 _Citation.Full_citation . _Citation.Title ; Structure of free MDM2 N-terminal domain reveals conformational adjustments that accompany p53-binding. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 350 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 587 _Citation.Page_last 598 _Citation.Year 2005 _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 S. Uhrinova . . . 6612 1 2 D. Uhrin . . . 6612 1 3 H. Powers . . . 6612 1 4 K. Watt . . . 6612 1 5 D. Zheleva . . . 6612 1 6 P. Fischer . . . 6612 1 7 C. McInnes . . . 6612 1 8 P. Barlow . N. . 6612 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'peptide-binding groove' 6612 1 psudosymmetry 6612 1 'alpha-beta domains' 6612 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HDM2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HDM2 _Assembly.Entry_ID 6612 _Assembly.ID 1 _Assembly.Name 'Ubiquitin-protein ligase E3 Mdm2 (E.C.6.3.2.-)' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 6.3.2.- _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6612 1 stop_ 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 'Ubiquitin-protein ligase E3 Mdm2' 1 $HDM2 . . . native . . . . . 6612 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1Z1M . . . . . . 6612 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ubiquitin-protein ligase E3 Mdm2 (E.C.6.3.2.-)' system 6612 1 HDM2 abbreviation 6612 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HDM2 _Entity.Sf_category entity _Entity.Sf_framecode HDM2 _Entity.Entry_ID 6612 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ubiquitin-protein ligase E3 Mdm2 (E.C.6.3.2.-)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MCNTNMSVPTDGAVTTSQIP ASEQETLVRPKPLLLKLLKS VGAQKDTYTMKEVLFYLGQY IMTKRLYDEKQQHIVYCSND LLGDLFGVPSFSVKEHRKIY TMIYRNLVVVNQQESSDSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18755 . entity_1 . . . . . 99.16 124 99.15 99.15 6.33e-78 . . . . 6612 1 2 no BMRB 19230 . MCo-PMI . . . . . 69.75 83 100.00 100.00 1.26e-52 . . . . 6612 1 3 no BMRB 2410 . "N-terminal domain of the human murine double minute clone 2 protein" . . . . . 100.00 119 100.00 100.00 1.17e-81 . . . . 6612 1 4 no PDB 1RV1 . "Crystal Structure Of Human Mdm2 With An Imidazoline Inhibitor" . . . . . 71.43 85 98.82 98.82 3.45e-53 . . . . 6612 1 5 no PDB 1T4E . "Structure Of Human Mdm2 In Complex With A Benzodiazepine Inhibitor" . . . . . 79.83 96 100.00 100.00 4.27e-62 . . . . 6612 1 6 no PDB 1T4F . "Structure Of Human Mdm2 In Complex With An Optimized P53 Peptide" . . . . . 86.55 110 99.03 99.03 1.80e-67 . . . . 6612 1 7 no PDB 1YCR . "Mdm2 Bound To The Transactivation Domain Of P53" . . . . . 85.71 109 100.00 100.00 1.24e-67 . . . . 6612 1 8 no PDB 1Z1M . "Nmr Structure Of Unliganded Mdm2" . . . . . 100.00 119 100.00 100.00 1.17e-81 . . . . 6612 1 9 no PDB 2AXI . "Hdm2 In Complex With A Beta-hairpin" . . . . . 85.71 115 100.00 100.00 1.15e-67 . . . . 6612 1 10 no PDB 2GV2 . "Mdm2 In Complex With An 8-Mer P53 Peptide Analogue" . . . . . 86.55 110 99.03 99.03 1.80e-67 . . . . 6612 1 11 no PDB 2LZG . "Nmr Structure Of Mdm2 (6-125) With Pip-1" . . . . . 99.16 125 100.00 100.00 5.31e-81 . . . . 6612 1 12 no PDB 2M86 . "Solution Structure Of Hdm2 With Engineered Cyclotide" . . . . . 85.71 129 100.00 100.00 1.13e-67 . . . . 6612 1 13 no PDB 2RUH . "Chemical Shift Assignments For Mip And Mdm2 In Bound State" . . . . . 83.19 131 97.98 98.99 4.00e-64 . . . . 6612 1 14 no PDB 3EQS . "Crystal Structure Of Human Mdm2 In Complex With A 12-Mer Peptide Inhibitor" . . . . . 71.43 85 100.00 100.00 3.32e-54 . . . . 6612 1 15 no PDB 3G03 . "Structure Of Human Mdm2 In Complex With High Affinity Peptide" . . . . . 85.71 109 99.02 99.02 6.24e-67 . . . . 6612 1 16 no PDB 3IUX . "Crystal Structure Of Human Mdm2 In Complex With A Potent Miniature Protein Inhibitor (18-Residues)" . . . . . 71.43 85 100.00 100.00 3.32e-54 . . . . 6612 1 17 no PDB 3IWY . "Crystal Structure Of Human Mdm2 Complexed With D-peptide (12 Residues)" . . . . . 71.43 85 100.00 100.00 3.32e-54 . . . . 6612 1 18 no PDB 3JZK . "Crystal Structure Of Mdm2 With Chromenotriazolopyrimidine 1" . . . . . 79.83 96 100.00 100.00 4.27e-62 . . . . 6612 1 19 no PDB 3JZR . "Human Mdm2 Liganded With A 12mer Peptide Inhibitor (Pdi6w)" . . . . . 86.55 110 99.03 99.03 1.80e-67 . . . . 6612 1 20 no PDB 3JZS . "Human Mdm2 Liganded With A 12mer Peptide Inhibitor (Pdiq)" . . . . . 72.27 86 100.00 100.00 4.19e-55 . . . . 6612 1 21 no PDB 3LBK . "Structure Of Human Mdm2 Protein In Complex With A Small Molecule Inhibitor" . . . . . 78.99 95 98.94 98.94 1.60e-60 . . . . 6612 1 22 no PDB 3LBL . "Structure Of Human Mdm2 Protein In Complex With Mi-63-Analog" . . . . . 78.99 95 100.00 100.00 1.48e-61 . . . . 6612 1 23 no PDB 3LNJ . "Crystal Structure Of Human Mdm2 In Complex With D-Peptide Inhibitor (Dpmi-Alpha)" . . . . . 71.43 85 100.00 100.00 3.32e-54 . . . . 6612 1 24 no PDB 3LNZ . "Crystal Structure Of Human Mdm2 With A 12-Mer Peptide Inhibitor Pmi (N8a Mutant)" . . . . . 71.43 85 100.00 100.00 3.32e-54 . . . . 6612 1 25 no PDB 3TJ2 . "Structure Of A Novel Submicromolar Mdm2 Inhibitor" . . . . . 78.99 95 100.00 100.00 1.48e-61 . . . . 6612 1 26 no PDB 3TPX . "Crystal Structure Of Human Mdm2 In Complex With A Trifluoromethylated D-peptide Inhibitor" . . . . . 71.43 85 100.00 100.00 3.32e-54 . . . . 6612 1 27 no PDB 3TU1 . "Exhaustive Fluorine Scanning Towards Potent P53-Mdm2 Antagonist" . . . . . 85.71 108 99.02 99.02 5.98e-67 . . . . 6612 1 28 no PDB 3V3B . "Structure Of The Stapled P53 Peptide Bound To Mdm2" . . . . . 73.11 88 100.00 100.00 1.13e-55 . . . . 6612 1 29 no PDB 3VBG . "Structure Of Hdm2 With Dimer Inducing Indolyl Hydantoin Ro-2443" . . . . . 71.43 85 98.82 98.82 3.45e-53 . . . . 6612 1 30 no PDB 3VZV . "Crystal Structure Of Human Mdm2 With A Dihydroimidazothiazole Inhibitor" . . . . . 71.43 87 98.82 98.82 3.43e-53 . . . . 6612 1 31 no PDB 3W69 . "Crystal Structure Of Human Mdm2 With A Dihydroimidazothiazole Inhibitor" . . . . . 71.43 87 98.82 98.82 3.43e-53 . . . . 6612 1 32 no PDB 4DIJ . "The Central Valine Concept Provides An Entry In A New Class Of Non Peptide Inhibitors Of The P53-Mdm2 Interaction" . . . . . 79.83 96 98.95 98.95 5.01e-61 . . . . 6612 1 33 no PDB 4ERE . "Crystal Structure Of Mdm2 (17-111) In Complex With Compound 23" . . . . . 79.83 96 100.00 100.00 4.27e-62 . . . . 6612 1 34 no PDB 4ERF . "Crystal Structure Of Mdm2 (17-111) In Complex With Compound 29 (Am- 8553)" . . . . . 79.83 96 100.00 100.00 4.27e-62 . . . . 6612 1 35 no PDB 4HBM . "Ordering Of The N Terminus Of Human Mdm2 By Small Molecule Inhibitors" . . . . . 94.96 120 100.00 100.00 2.28e-76 . . . . 6612 1 36 no PDB 4HFZ . "Crystal Structure Of An Mdm2/p53 Peptide Complex" . . . . . 85.71 109 98.04 98.04 4.02e-66 . . . . 6612 1 37 no PDB 4JV7 . "Co-crystal Structure Of Mdm2 With Inhibitor (2s,5r,6s)-2-benzyl-5,6- Bis(4-bromophenyl)-4-methylmorpholin-3-one" . . . . . 78.99 96 100.00 100.00 1.76e-61 . . . . 6612 1 38 no PDB 4JV9 . "Co-crystal Structure Of Mdm2 With Inhibitor (2s,5r,6s)-2-benzyl-5,6- Bis(4-chlorophenyl)-4-methylmorpholin-3-one" . . . . . 78.99 96 100.00 100.00 1.76e-61 . . . . 6612 1 39 no PDB 4JVE . "Co-crystal Structure Of Mdm2 With Inhibitor (2r,3e)-2-[(2s,3r,6s)-2,3- Bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-" . . . . . 78.99 96 100.00 100.00 1.76e-61 . . . . 6612 1 40 no PDB 4JVR . "Co-crystal Structure Of Mdm2 With Inhibitor (2's,3r,4's,5'r)-n-(2- Aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2- D" . . . . . 78.99 96 100.00 100.00 1.76e-61 . . . . 6612 1 41 no PDB 4JWR . "Co-crystal Structure Of Mdm2 With Inhibitor {(2s,5r,6s)-6-(3- Chlorophenyl)-5-(4-chlorophenyl)-4-[(2s)-1-hydroxybutan-2-yl]-3- " . . . . . 79.83 95 100.00 100.00 3.80e-62 . . . . 6612 1 42 no PDB 4MDN . "Structure Of A Novel Submicromolar Mdm2 Inhibitor" . . . . . 78.15 94 100.00 100.00 1.39e-60 . . . . 6612 1 43 no PDB 4MDQ . "Structure Of A Novel Submicromolar Mdm2 Inhibitor" . . . . . 72.27 86 100.00 100.00 7.14e-55 . . . . 6612 1 44 no PDB 4OAS . "Co-crystal Structure Of Mdm2 (17-111) In Complex With Compound 25" . . . . . 79.83 96 100.00 100.00 4.27e-62 . . . . 6612 1 45 no PDB 4OBA . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 4" . . . . . 79.83 96 100.00 100.00 4.27e-62 . . . . 6612 1 46 no PDB 4OCC . "Co-crystal Structure Of Mdm2(17-111) In Complex With Compound 48" . . . . . 79.83 96 100.00 100.00 4.27e-62 . . . . 6612 1 47 no PDB 4ODE . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 4" . . . . . 88.24 105 100.00 100.00 5.66e-70 . . . . 6612 1 48 no PDB 4ODF . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 47" . . . . . 88.24 105 100.00 100.00 5.66e-70 . . . . 6612 1 49 no PDB 4OGN . "Co-crystal Structure Of Mdm2 With Inhbitor Compound 3" . . . . . 88.24 105 100.00 100.00 5.66e-70 . . . . 6612 1 50 no PDB 4OGT . "Co-crystal Structure Of Mdm2 With Inhbitor Compound 46" . . . . . 88.24 105 100.00 100.00 5.66e-70 . . . . 6612 1 51 no PDB 4OGV . "Co-crystal Structure Of Mdm2 With Inhibitor Compound 49" . . . . . 79.83 95 100.00 100.00 3.80e-62 . . . . 6612 1 52 no PDB 4OQ3 . "Tetra-substituted Imidazoles As A New Class Of Inhibitors Of The P53- Mdm2 Interaction" . . . . . 79.83 96 98.95 98.95 5.01e-61 . . . . 6612 1 53 no PDB 4QO4 . "Co-crystal Structure Of Mdm2 (17-111) With Compound 16, {(3r,5r,6s)-5- (3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1s)-1-(6-cyclopr" . . . . . 79.83 96 100.00 100.00 4.27e-62 . . . . 6612 1 54 no PDB 4UMN . "Structure Of A Stapled Peptide Antagonist Bound To Nutlin- Resistant Mdm2" . . . . . 94.96 120 99.12 99.12 1.91e-75 . . . . 6612 1 55 no PDB 4WT2 . "Co-crystal Structure Of Mdm2 In Complex With Am-7209" . . . . . 88.24 105 100.00 100.00 5.66e-70 . . . . 6612 1 56 no DBJ BAF83030 . "unnamed protein product [Homo sapiens]" . . . . . 99.16 491 100.00 100.00 2.49e-77 . . . . 6612 1 57 no DBJ BAJ17752 . "Mdm2 p53 binding protein homolog [synthetic construct]" . . . . . 99.16 497 100.00 100.00 2.67e-77 . . . . 6612 1 58 no EMBL CAA78055 . "p53 associated [Homo sapiens]" . . . . . 99.16 491 100.00 100.00 2.49e-77 . . . . 6612 1 59 no EMBL CAD23251 . "MDM2 isoform KB9 [Homo sapiens]" . . . . . 99.16 243 100.00 100.00 2.06e-79 . . . . 6612 1 60 no EMBL CAD36959 . "p53-binding protein [Homo sapiens]" . . . . . 100.00 166 99.16 99.16 3.09e-80 . . . . 6612 1 61 no EMBL CAD79457 . "HDM2-HD3 protein [Homo sapiens]" . . . . . 51.26 69 100.00 100.00 6.07e-35 . . . . 6612 1 62 no EMBL CAH89564 . "hypothetical protein [Pongo abelii]" . . . . . 99.16 497 100.00 100.00 2.78e-77 . . . . 6612 1 63 no GB AAA60568 . "p53 associated [Homo sapiens]" . . . . . 99.16 491 100.00 100.00 2.49e-77 . . . . 6612 1 64 no GB AAI48523 . "Mdm2 p53 binding protein homolog (mouse), partial [synthetic construct]" . . . . . 99.16 497 100.00 100.00 2.67e-77 . . . . 6612 1 65 no GB AAI52385 . "MDM2 protein, partial [Homo sapiens]" . . . . . 99.16 490 100.00 100.00 2.30e-77 . . . . 6612 1 66 no GB AAI52391 . "MDM2 protein, partial [Homo sapiens]" . . . . . 99.16 490 100.00 100.00 2.30e-77 . . . . 6612 1 67 no GB AAI53118 . "Mdm2 p53 binding protein homolog (mouse) [synthetic construct]" . . . . . 99.16 497 100.00 100.00 2.67e-77 . . . . 6612 1 68 no PRF 1814460A . "p53-associated protein" . . . . . 99.16 491 100.00 100.00 2.49e-77 . . . . 6612 1 69 no REF NP_001124685 . "E3 ubiquitin-protein ligase Mdm2 [Pongo abelii]" . . . . . 99.16 497 100.00 100.00 2.78e-77 . . . . 6612 1 70 no REF NP_001138809 . "E3 ubiquitin-protein ligase Mdm2 isoform g [Homo sapiens]" . . . . . 99.16 444 100.00 100.00 1.06e-77 . . . . 6612 1 71 no REF NP_001138811 . "E3 ubiquitin-protein ligase Mdm2 isoform h [Homo sapiens]" . . . . . 95.80 442 100.00 100.00 4.25e-75 . . . . 6612 1 72 no REF NP_001253331 . "E3 ubiquitin-protein ligase Mdm2 [Macaca mulatta]" . . . . . 99.16 497 100.00 100.00 2.40e-77 . . . . 6612 1 73 no REF NP_002383 . "E3 ubiquitin-protein ligase Mdm2 isoform a [Homo sapiens]" . . . . . 99.16 497 100.00 100.00 2.67e-77 . . . . 6612 1 74 no SP Q00987 . "RecName: Full=E3 ubiquitin-protein ligase Mdm2; AltName: Full=Double minute 2 protein; Short=Hdm2; AltName: Full=Oncoprotein Md" . . . . . 99.16 491 100.00 100.00 2.49e-77 . . . . 6612 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ubiquitin-protein ligase E3 Mdm2 (E.C.6.3.2.-)' common 6612 1 HDM2 abbreviation 6612 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 . MET . 6612 1 2 . CYS . 6612 1 3 . ASN . 6612 1 4 . THR . 6612 1 5 . ASN . 6612 1 6 . MET . 6612 1 7 . SER . 6612 1 8 . VAL . 6612 1 9 . PRO . 6612 1 10 . THR . 6612 1 11 . ASP . 6612 1 12 . GLY . 6612 1 13 . ALA . 6612 1 14 . VAL . 6612 1 15 . THR . 6612 1 16 . THR . 6612 1 17 . SER . 6612 1 18 . GLN . 6612 1 19 . ILE . 6612 1 20 . PRO . 6612 1 21 . ALA . 6612 1 22 . SER . 6612 1 23 . GLU . 6612 1 24 . GLN . 6612 1 25 . GLU . 6612 1 26 . THR . 6612 1 27 . LEU . 6612 1 28 . VAL . 6612 1 29 . ARG . 6612 1 30 . PRO . 6612 1 31 . LYS . 6612 1 32 . PRO . 6612 1 33 . LEU . 6612 1 34 . LEU . 6612 1 35 . LEU . 6612 1 36 . LYS . 6612 1 37 . LEU . 6612 1 38 . LEU . 6612 1 39 . LYS . 6612 1 40 . SER . 6612 1 41 . VAL . 6612 1 42 . GLY . 6612 1 43 . ALA . 6612 1 44 . GLN . 6612 1 45 . LYS . 6612 1 46 . ASP . 6612 1 47 . THR . 6612 1 48 . TYR . 6612 1 49 . THR . 6612 1 50 . MET . 6612 1 51 . LYS . 6612 1 52 . GLU . 6612 1 53 . VAL . 6612 1 54 . LEU . 6612 1 55 . PHE . 6612 1 56 . TYR . 6612 1 57 . LEU . 6612 1 58 . GLY . 6612 1 59 . GLN . 6612 1 60 . TYR . 6612 1 61 . ILE . 6612 1 62 . MET . 6612 1 63 . THR . 6612 1 64 . LYS . 6612 1 65 . ARG . 6612 1 66 . LEU . 6612 1 67 . TYR . 6612 1 68 . ASP . 6612 1 69 . GLU . 6612 1 70 . LYS . 6612 1 71 . GLN . 6612 1 72 . GLN . 6612 1 73 . HIS . 6612 1 74 . ILE . 6612 1 75 . VAL . 6612 1 76 . TYR . 6612 1 77 . CYS . 6612 1 78 . SER . 6612 1 79 . ASN . 6612 1 80 . ASP . 6612 1 81 . LEU . 6612 1 82 . LEU . 6612 1 83 . GLY . 6612 1 84 . ASP . 6612 1 85 . LEU . 6612 1 86 . PHE . 6612 1 87 . GLY . 6612 1 88 . VAL . 6612 1 89 . PRO . 6612 1 90 . SER . 6612 1 91 . PHE . 6612 1 92 . SER . 6612 1 93 . VAL . 6612 1 94 . LYS . 6612 1 95 . GLU . 6612 1 96 . HIS . 6612 1 97 . ARG . 6612 1 98 . LYS . 6612 1 99 . ILE . 6612 1 100 . TYR . 6612 1 101 . THR . 6612 1 102 . MET . 6612 1 103 . ILE . 6612 1 104 . TYR . 6612 1 105 . ARG . 6612 1 106 . ASN . 6612 1 107 . LEU . 6612 1 108 . VAL . 6612 1 109 . VAL . 6612 1 110 . VAL . 6612 1 111 . ASN . 6612 1 112 . GLN . 6612 1 113 . GLN . 6612 1 114 . GLU . 6612 1 115 . SER . 6612 1 116 . SER . 6612 1 117 . ASP . 6612 1 118 . SER . 6612 1 119 . SER . 6612 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6612 1 . CYS 2 2 6612 1 . ASN 3 3 6612 1 . THR 4 4 6612 1 . ASN 5 5 6612 1 . MET 6 6 6612 1 . SER 7 7 6612 1 . VAL 8 8 6612 1 . PRO 9 9 6612 1 . THR 10 10 6612 1 . ASP 11 11 6612 1 . GLY 12 12 6612 1 . ALA 13 13 6612 1 . VAL 14 14 6612 1 . THR 15 15 6612 1 . THR 16 16 6612 1 . SER 17 17 6612 1 . GLN 18 18 6612 1 . ILE 19 19 6612 1 . PRO 20 20 6612 1 . ALA 21 21 6612 1 . SER 22 22 6612 1 . GLU 23 23 6612 1 . GLN 24 24 6612 1 . GLU 25 25 6612 1 . THR 26 26 6612 1 . LEU 27 27 6612 1 . VAL 28 28 6612 1 . ARG 29 29 6612 1 . PRO 30 30 6612 1 . LYS 31 31 6612 1 . PRO 32 32 6612 1 . LEU 33 33 6612 1 . LEU 34 34 6612 1 . LEU 35 35 6612 1 . LYS 36 36 6612 1 . LEU 37 37 6612 1 . LEU 38 38 6612 1 . LYS 39 39 6612 1 . SER 40 40 6612 1 . VAL 41 41 6612 1 . GLY 42 42 6612 1 . ALA 43 43 6612 1 . GLN 44 44 6612 1 . LYS 45 45 6612 1 . ASP 46 46 6612 1 . THR 47 47 6612 1 . TYR 48 48 6612 1 . THR 49 49 6612 1 . MET 50 50 6612 1 . LYS 51 51 6612 1 . GLU 52 52 6612 1 . VAL 53 53 6612 1 . LEU 54 54 6612 1 . PHE 55 55 6612 1 . TYR 56 56 6612 1 . LEU 57 57 6612 1 . GLY 58 58 6612 1 . GLN 59 59 6612 1 . TYR 60 60 6612 1 . ILE 61 61 6612 1 . MET 62 62 6612 1 . THR 63 63 6612 1 . LYS 64 64 6612 1 . ARG 65 65 6612 1 . LEU 66 66 6612 1 . TYR 67 67 6612 1 . ASP 68 68 6612 1 . GLU 69 69 6612 1 . LYS 70 70 6612 1 . GLN 71 71 6612 1 . GLN 72 72 6612 1 . HIS 73 73 6612 1 . ILE 74 74 6612 1 . VAL 75 75 6612 1 . TYR 76 76 6612 1 . CYS 77 77 6612 1 . SER 78 78 6612 1 . ASN 79 79 6612 1 . ASP 80 80 6612 1 . LEU 81 81 6612 1 . LEU 82 82 6612 1 . GLY 83 83 6612 1 . ASP 84 84 6612 1 . LEU 85 85 6612 1 . PHE 86 86 6612 1 . GLY 87 87 6612 1 . VAL 88 88 6612 1 . PRO 89 89 6612 1 . SER 90 90 6612 1 . PHE 91 91 6612 1 . SER 92 92 6612 1 . VAL 93 93 6612 1 . LYS 94 94 6612 1 . GLU 95 95 6612 1 . HIS 96 96 6612 1 . ARG 97 97 6612 1 . LYS 98 98 6612 1 . ILE 99 99 6612 1 . TYR 100 100 6612 1 . THR 101 101 6612 1 . MET 102 102 6612 1 . ILE 103 103 6612 1 . TYR 104 104 6612 1 . ARG 105 105 6612 1 . ASN 106 106 6612 1 . LEU 107 107 6612 1 . VAL 108 108 6612 1 . VAL 109 109 6612 1 . VAL 110 110 6612 1 . ASN 111 111 6612 1 . GLN 112 112 6612 1 . GLN 113 113 6612 1 . GLU 114 114 6612 1 . SER 115 115 6612 1 . SER 116 116 6612 1 . ASP 117 117 6612 1 . SER 118 118 6612 1 . SER 119 119 6612 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6612 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HDM2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6612 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 6612 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HDM2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6612 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6612 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Ubiquitin-protein ligase E3 Mdm2 (E.C.6.3.2.-)' '[U-13C; U-15N]' . . 1 $HDM2 . . 0.5 . . mM . . . . 6612 1 2 'sodium acetate' [U-2H] . . . . . . 60 . . mM . . . . 6612 1 3 'phosphate buffer' . . . . . . . 60 . . mM . . . . 6612 1 4 H2O . . . . . . . 90 . . % . . . . 6612 1 5 D2O . . . . . . . 10 . . % . . . . 6612 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6612 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Ubiquitin-protein ligase E3 Mdm2 (E.C.6.3.2.-)' '[U-13C; U-15N]' . . 1 $HDM2 . . 0.5 . . mM . . . . 6612 2 2 'sodium acetate' [U-2H] . . . . . . 60 . . mM . . . . 6612 2 3 'phosphate buffer' . . . . . . . 60 . . mM . . . . 6612 2 4 D2O . . . . . . . 99.5 . . % . . . . 6612 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6612 _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 pH 7.3 . pH 6612 1 temperature 288 . K 6612 1 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 6612 _Software.ID 1 _Software.Name AZARA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6612 1 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 6612 _Software.ID 2 _Software.Name ANSIG _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6612 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6612 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6612 3 refinement 6612 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6612 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6612 _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 NMR_spectrometer Bruker AMX . 600 . . . 6612 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 6612 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6612 _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 H 1 H2O protons . . . . ppm 4.87 internal direct 1.0 internal . . . . 'temperature and pH' . . . 6612 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449527 . . . . . . . . . 6612 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 6612 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6612 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6612 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 6 6 MET H H 1 8.37 0.03 . . . . . . . . . . 6612 1 2 . 1 1 6 6 MET N N 15 122.6 0.3 . . . . . . . . . . 6612 1 3 . 1 1 7 7 SER H H 1 8.35 0.03 . . . . . . . . . . 6612 1 4 . 1 1 7 7 SER HA H 1 4.48 0.03 . . . . . . . . . . 6612 1 5 . 1 1 7 7 SER HB2 H 1 3.95 0.03 . . . . . . . . . . 6612 1 6 . 1 1 7 7 SER CA C 13 61.8 0.3 . . . . . . . . . . 6612 1 7 . 1 1 7 7 SER CB C 13 56.5 0.3 . . . . . . . . . . 6612 1 8 . 1 1 7 7 SER N N 15 119.02 0.3 . . . . . . . . . . 6612 1 9 . 1 1 8 8 VAL H H 1 8.20 0.03 . . . . . . . . . . 6612 1 10 . 1 1 8 8 VAL HA H 1 4.45 0.03 . . . . . . . . . . 6612 1 11 . 1 1 8 8 VAL HB H 1 2.07 0.03 . . . . . . . . . . 6612 1 12 . 1 1 8 8 VAL HG11 H 1 0.98 0.03 . . . . . . . . . . 6612 1 13 . 1 1 8 8 VAL HG12 H 1 0.98 0.03 . . . . . . . . . . 6612 1 14 . 1 1 8 8 VAL HG13 H 1 0.98 0.03 . . . . . . . . . . 6612 1 15 . 1 1 8 8 VAL HG21 H 1 0.95 0.03 . . . . . . . . . . 6612 1 16 . 1 1 8 8 VAL HG22 H 1 0.95 0.03 . . . . . . . . . . 6612 1 17 . 1 1 8 8 VAL HG23 H 1 0.95 0.03 . . . . . . . . . . 6612 1 18 . 1 1 8 8 VAL CA C 13 57.61 0.3 . . . . . . . . . . 6612 1 19 . 1 1 8 8 VAL CB C 13 30.3 0.3 . . . . . . . . . . 6612 1 20 . 1 1 8 8 VAL CG1 C 13 18.61 0.3 . . . . . . . . . . 6612 1 21 . 1 1 8 8 VAL CG2 C 13 17.4 0.3 . . . . . . . . . . 6612 1 22 . 1 1 8 8 VAL N N 15 124.8 0.3 . . . . . . . . . . 6612 1 23 . 1 1 9 9 PRO HA H 1 4.44 0.03 . . . . . . . . . . 6612 1 24 . 1 1 9 9 PRO HB2 H 1 2.39 0.03 . . . . . . . . . . 6612 1 25 . 1 1 9 9 PRO HB3 H 1 2.25 0.03 . . . . . . . . . . 6612 1 26 . 1 1 9 9 PRO HG2 H 1 2.03 0.03 . . . . . . . . . . 6612 1 27 . 1 1 9 9 PRO HG3 H 1 2.03 0.03 . . . . . . . . . . 6612 1 28 . 1 1 9 9 PRO HD2 H 1 3.86 0.03 . . . . . . . . . . 6612 1 29 . 1 1 9 9 PRO HD3 H 1 3.68 0.03 . . . . . . . . . . 6612 1 30 . 1 1 9 9 PRO CG C 13 24.2 0.3 . . . . . . . . . . 6612 1 31 . 1 1 9 9 PRO CD C 13 48.2 0.3 . . . . . . . . . . 6612 1 32 . 1 1 10 10 THR H H 1 8.33 0.03 . . . . . . . . . . 6612 1 33 . 1 1 10 10 THR HA H 1 4.30 0.03 . . . . . . . . . . 6612 1 34 . 1 1 10 10 THR HB H 1 4.48 0.03 . . . . . . . . . . 6612 1 35 . 1 1 10 10 THR HG21 H 1 1.23 0.03 . . . . . . . . . . 6612 1 36 . 1 1 10 10 THR HG22 H 1 1.23 0.03 . . . . . . . . . . 6612 1 37 . 1 1 10 10 THR HG23 H 1 1.23 0.03 . . . . . . . . . . 6612 1 38 . 1 1 10 10 THR CA C 13 60.2 0.3 . . . . . . . . . . 6612 1 39 . 1 1 10 10 THR CB C 13 67.3 0.3 . . . . . . . . . . 6612 1 40 . 1 1 10 10 THR CG2 C 13 18.94 0.3 . . . . . . . . . . 6612 1 41 . 1 1 10 10 THR N N 15 115.95 0.3 . . . . . . . . . . 6612 1 42 . 1 1 11 11 ASP H H 1 8.36 0.03 . . . . . . . . . . 6612 1 43 . 1 1 11 11 ASP HA H 1 4.61 0.03 . . . . . . . . . . 6612 1 44 . 1 1 11 11 ASP HB2 H 1 2.70 0.03 . . . . . . . . . . 6612 1 45 . 1 1 11 11 ASP HB3 H 1 2.70 0.03 . . . . . . . . . . 6612 1 46 . 1 1 11 11 ASP CA C 13 52.7 0.3 . . . . . . . . . . 6612 1 47 . 1 1 11 11 ASP CB C 13 38.1 0.3 . . . . . . . . . . 6612 1 48 . 1 1 11 11 ASP N N 15 124.2 0.3 . . . . . . . . . . 6612 1 49 . 1 1 12 12 GLY H H 1 8.35 0.03 . . . . . . . . . . 6612 1 50 . 1 1 12 12 GLY HA2 H 1 3.88 0.03 . . . . . . . . . . 6612 1 51 . 1 1 12 12 GLY HA3 H 1 3.88 0.03 . . . . . . . . . . 6612 1 52 . 1 1 12 12 GLY CA C 13 43.3 0.3 . . . . . . . . . . 6612 1 53 . 1 1 12 12 GLY N N 15 130.5 0.3 . . . . . . . . . . 6612 1 54 . 1 1 13 13 ALA H H 1 8.15 0.03 . . . . . . . . . . 6612 1 55 . 1 1 13 13 ALA HA H 1 4.33 0.03 . . . . . . . . . . 6612 1 56 . 1 1 13 13 ALA HB1 H 1 1.38 0.03 . . . . . . . . . . 6612 1 57 . 1 1 13 13 ALA HB2 H 1 1.38 0.03 . . . . . . . . . . 6612 1 58 . 1 1 13 13 ALA HB3 H 1 1.38 0.03 . . . . . . . . . . 6612 1 59 . 1 1 13 13 ALA CA C 13 49.8 0.3 . . . . . . . . . . 6612 1 60 . 1 1 13 13 ALA CB C 13 16.3 0.3 . . . . . . . . . . 6612 1 61 . 1 1 13 13 ALA N N 15 125.1 0.3 . . . . . . . . . . 6612 1 62 . 1 1 14 14 VAL H H 1 8.23 0.03 . . . . . . . . . . 6612 1 63 . 1 1 14 14 VAL HA H 1 4.18 0.03 . . . . . . . . . . 6612 1 64 . 1 1 14 14 VAL HB H 1 2.08 0.03 . . . . . . . . . . 6612 1 65 . 1 1 14 14 VAL HG11 H 1 0.95 0.03 . . . . . . . . . . 6612 1 66 . 1 1 14 14 VAL HG12 H 1 0.95 0.03 . . . . . . . . . . 6612 1 67 . 1 1 14 14 VAL HG13 H 1 0.95 0.03 . . . . . . . . . . 6612 1 68 . 1 1 14 14 VAL HG21 H 1 0.96 0.03 . . . . . . . . . . 6612 1 69 . 1 1 14 14 VAL HG22 H 1 0.96 0.03 . . . . . . . . . . 6612 1 70 . 1 1 14 14 VAL HG23 H 1 0.96 0.03 . . . . . . . . . . 6612 1 71 . 1 1 14 14 VAL CA C 13 59.5 0.3 . . . . . . . . . . 6612 1 72 . 1 1 14 14 VAL CB C 13 30.6 0.3 . . . . . . . . . . 6612 1 73 . 1 1 14 14 VAL CG1 C 13 17.3 0.3 . . . . . . . . . . 6612 1 74 . 1 1 14 14 VAL N N 15 121.2 0.3 . . . . . . . . . . 6612 1 75 . 1 1 15 15 THR H H 1 8.35 0.03 . . . . . . . . . . 6612 1 76 . 1 1 15 15 THR HA H 1 4.46 0.03 . . . . . . . . . . 6612 1 77 . 1 1 15 15 THR HB H 1 4.22 0.03 . . . . . . . . . . 6612 1 78 . 1 1 15 15 THR HG21 H 1 1.23 0.03 . . . . . . . . . . 6612 1 79 . 1 1 15 15 THR HG22 H 1 1.23 0.03 . . . . . . . . . . 6612 1 80 . 1 1 15 15 THR HG23 H 1 1.23 0.03 . . . . . . . . . . 6612 1 81 . 1 1 15 15 THR CA C 13 59.24 0.3 . . . . . . . . . . 6612 1 82 . 1 1 15 15 THR CB C 13 67.7 0.3 . . . . . . . . . . 6612 1 83 . 1 1 15 15 THR CG2 C 13 18.6 0.3 . . . . . . . . . . 6612 1 84 . 1 1 15 15 THR N N 15 119.9 0.3 . . . . . . . . . . 6612 1 85 . 1 1 16 16 THR H H 1 8.27 0.03 . . . . . . . . . . 6612 1 86 . 1 1 16 16 THR HA H 1 4.49 0.03 . . . . . . . . . . 6612 1 87 . 1 1 16 16 THR HG21 H 1 1.24 0.03 . . . . . . . . . . 6612 1 88 . 1 1 16 16 THR HG22 H 1 1.24 0.03 . . . . . . . . . . 6612 1 89 . 1 1 16 16 THR HG23 H 1 1.24 0.03 . . . . . . . . . . 6612 1 90 . 1 1 16 16 THR CB C 13 67.7 0.3 . . . . . . . . . . 6612 1 91 . 1 1 16 16 THR N N 15 118.2 0.3 . . . . . . . . . . 6612 1 92 . 1 1 18 18 GLN H H 1 8.52 0.03 . . . . . . . . . . 6612 1 93 . 1 1 18 18 GLN HA H 1 4.33 0.03 . . . . . . . . . . 6612 1 94 . 1 1 18 18 GLN HB2 H 1 2.14 0.03 . . . . . . . . . . 6612 1 95 . 1 1 18 18 GLN HB3 H 1 2.01 0.03 . . . . . . . . . . 6612 1 96 . 1 1 18 18 GLN HG2 H 1 2.42 0.03 . . . . . . . . . . 6612 1 97 . 1 1 18 18 GLN HG3 H 1 2.37 0.03 . . . . . . . . . . 6612 1 98 . 1 1 18 18 GLN HE21 H 1 7.43 0.03 . . . . . . . . . . 6612 1 99 . 1 1 18 18 GLN HE22 H 1 7.04 0.03 . . . . . . . . . . 6612 1 100 . 1 1 18 18 GLN CA C 13 54.1 0.3 . . . . . . . . . . 6612 1 101 . 1 1 18 18 GLN CB C 13 26.4 0.3 . . . . . . . . . . 6612 1 102 . 1 1 18 18 GLN CG C 13 31.3 0.3 . . . . . . . . . . 6612 1 103 . 1 1 18 18 GLN N N 15 124.4 0.3 . . . . . . . . . . 6612 1 104 . 1 1 18 18 GLN NE2 N 15 114.7 0.3 . . . . . . . . . . 6612 1 105 . 1 1 19 19 ILE H H 1 8.08 0.03 . . . . . . . . . . 6612 1 106 . 1 1 19 19 ILE HA H 1 4.31 0.03 . . . . . . . . . . 6612 1 107 . 1 1 19 19 ILE HB H 1 1.71 0.03 . . . . . . . . . . 6612 1 108 . 1 1 19 19 ILE HG12 H 1 1.09 0.03 . . . . . . . . . . 6612 1 109 . 1 1 19 19 ILE HG13 H 1 0.91 0.03 . . . . . . . . . . 6612 1 110 . 1 1 19 19 ILE HG21 H 1 0.73 0.03 . . . . . . . . . . 6612 1 111 . 1 1 19 19 ILE HG22 H 1 0.73 0.03 . . . . . . . . . . 6612 1 112 . 1 1 19 19 ILE HG23 H 1 0.73 0.03 . . . . . . . . . . 6612 1 113 . 1 1 19 19 ILE HD11 H 1 0.27 0.03 . . . . . . . . . . 6612 1 114 . 1 1 19 19 ILE HD12 H 1 0.27 0.03 . . . . . . . . . . 6612 1 115 . 1 1 19 19 ILE HD13 H 1 0.27 0.03 . . . . . . . . . . 6612 1 116 . 1 1 19 19 ILE CA C 13 54.3 0.3 . . . . . . . . . . 6612 1 117 . 1 1 19 19 ILE CB C 13 35.2 0.3 . . . . . . . . . . 6612 1 118 . 1 1 19 19 ILE CG1 C 13 23.2 0.3 . . . . . . . . . . 6612 1 119 . 1 1 19 19 ILE CG2 C 13 13.76 0.3 . . . . . . . . . . 6612 1 120 . 1 1 19 19 ILE N N 15 124.7 0.3 . . . . . . . . . . 6612 1 121 . 1 1 20 20 PRO HA H 1 4.43 0.03 . . . . . . . . . . 6612 1 122 . 1 1 20 20 PRO HB2 H 1 2.41 0.03 . . . . . . . . . . 6612 1 123 . 1 1 20 20 PRO HB3 H 1 2.35 0.03 . . . . . . . . . . 6612 1 124 . 1 1 20 20 PRO HG2 H 1 2.12 0.03 . . . . . . . . . . 6612 1 125 . 1 1 20 20 PRO HG3 H 1 2.00 0.03 . . . . . . . . . . 6612 1 126 . 1 1 20 20 PRO HD2 H 1 3.89 0.03 . . . . . . . . . . 6612 1 127 . 1 1 20 20 PRO HD3 H 1 3.73 0.03 . . . . . . . . . . 6612 1 128 . 1 1 20 20 PRO CB C 13 32.9 0.3 . . . . . . . . . . 6612 1 129 . 1 1 20 20 PRO CG C 13 24.8 0.3 . . . . . . . . . . 6612 1 130 . 1 1 20 20 PRO CD C 13 48.6 0.3 . . . . . . . . . . 6612 1 131 . 1 1 21 21 ALA H H 1 8.89 0.03 . . . . . . . . . . 6612 1 132 . 1 1 21 21 ALA HA H 1 4.05 0.03 . . . . . . . . . . 6612 1 133 . 1 1 21 21 ALA HB1 H 1 1.48 0.03 . . . . . . . . . . 6612 1 134 . 1 1 21 21 ALA HB2 H 1 1.48 0.03 . . . . . . . . . . 6612 1 135 . 1 1 21 21 ALA HB3 H 1 1.48 0.03 . . . . . . . . . . 6612 1 136 . 1 1 21 21 ALA CA C 13 52.7 0.3 . . . . . . . . . . 6612 1 137 . 1 1 21 21 ALA CB C 13 15.7 0.3 . . . . . . . . . . 6612 1 138 . 1 1 21 21 ALA N N 15 129.1 0.3 . . . . . . . . . . 6612 1 139 . 1 1 22 22 SER H H 1 8.62 0.03 . . . . . . . . . . 6612 1 140 . 1 1 22 22 SER HA H 1 4.23 0.03 . . . . . . . . . . 6612 1 141 . 1 1 22 22 SER HB2 H 1 3.95 0.03 . . . . . . . . . . 6612 1 142 . 1 1 22 22 SER HB3 H 1 3.95 0.03 . . . . . . . . . . 6612 1 143 . 1 1 22 22 SER CA C 13 58.3 0.3 . . . . . . . . . . 6612 1 144 . 1 1 22 22 SER CB C 13 59.9 0.3 . . . . . . . . . . 6612 1 145 . 1 1 22 22 SER N N 15 113.2 0.3 . . . . . . . . . . 6612 1 146 . 1 1 23 23 GLU H H 1 7.55 0.03 . . . . . . . . . . 6612 1 147 . 1 1 23 23 GLU HB2 H 1 2.17 0.03 . . . . . . . . . . 6612 1 148 . 1 1 23 23 GLU HB3 H 1 2.04 0.03 . . . . . . . . . . 6612 1 149 . 1 1 23 23 GLU CB C 13 27.1 0.3 . . . . . . . . . . 6612 1 150 . 1 1 23 23 GLU N N 15 124.8 0.3 . . . . . . . . . . 6612 1 151 . 1 1 24 24 GLN H H 1 7.94 0.03 . . . . . . . . . . 6612 1 152 . 1 1 24 24 GLN HA H 1 4.04 0.03 . . . . . . . . . . 6612 1 153 . 1 1 24 24 GLN HB2 H 1 2.27 0.03 . . . . . . . . . . 6612 1 154 . 1 1 24 24 GLN HB3 H 1 2.21 0.03 . . . . . . . . . . 6612 1 155 . 1 1 24 24 GLN HG2 H 1 2.41 0.03 . . . . . . . . . . 6612 1 156 . 1 1 24 24 GLN HG3 H 1 2.47 0.03 . . . . . . . . . . 6612 1 157 . 1 1 24 24 GLN CA C 13 55.66 0.3 . . . . . . . . . . 6612 1 158 . 1 1 24 24 GLN CB C 13 27.06 0.3 . . . . . . . . . . 6612 1 159 . 1 1 24 24 GLN CG C 13 31.2 0.3 . . . . . . . . . . 6612 1 160 . 1 1 24 24 GLN N N 15 121.1 0.3 . . . . . . . . . . 6612 1 161 . 1 1 25 25 GLU H H 1 7.65 0.03 . . . . . . . . . . 6612 1 162 . 1 1 25 25 GLU HA H 1 4.45 0.03 . . . . . . . . . . 6612 1 163 . 1 1 25 25 GLU HB2 H 1 2.35 0.03 . . . . . . . . . . 6612 1 164 . 1 1 25 25 GLU HB3 H 1 1.91 0.03 . . . . . . . . . . 6612 1 165 . 1 1 25 25 GLU HG2 H 1 2.42 0.03 . . . . . . . . . . 6612 1 166 . 1 1 25 25 GLU HG3 H 1 2.35 0.03 . . . . . . . . . . 6612 1 167 . 1 1 25 25 GLU CA C 13 53.4 0.3 . . . . . . . . . . 6612 1 168 . 1 1 25 25 GLU CB C 13 27.1 0.3 . . . . . . . . . . 6612 1 169 . 1 1 25 25 GLU CG C 13 33.2 0.3 . . . . . . . . . . 6612 1 170 . 1 1 25 25 GLU N N 15 116.8 0.3 . . . . . . . . . . 6612 1 171 . 1 1 26 26 THR H H 1 7.58 0.03 . . . . . . . . . . 6612 1 172 . 1 1 26 26 THR HA H 1 3.99 0.03 . . . . . . . . . . 6612 1 173 . 1 1 26 26 THR HB H 1 4.18 0.03 . . . . . . . . . . 6612 1 174 . 1 1 26 26 THR HG21 H 1 1.37 0.03 . . . . . . . . . . 6612 1 175 . 1 1 26 26 THR HG22 H 1 1.37 0.03 . . . . . . . . . . 6612 1 176 . 1 1 26 26 THR HG23 H 1 1.37 0.03 . . . . . . . . . . 6612 1 177 . 1 1 26 26 THR CA C 13 62.16 0.3 . . . . . . . . . . 6612 1 178 . 1 1 26 26 THR CB C 13 67.6 0.3 . . . . . . . . . . 6612 1 179 . 1 1 26 26 THR CG2 C 13 18.94 0.3 . . . . . . . . . . 6612 1 180 . 1 1 26 26 THR N N 15 119.5 0.3 . . . . . . . . . . 6612 1 181 . 1 1 27 27 LEU H H 1 8.55 0.03 . . . . . . . . . . 6612 1 182 . 1 1 27 27 LEU HA H 1 4.88 0.03 . . . . . . . . . . 6612 1 183 . 1 1 27 27 LEU HB2 H 1 1.70 0.03 . . . . . . . . . . 6612 1 184 . 1 1 27 27 LEU HB3 H 1 1.48 0.03 . . . . . . . . . . 6612 1 185 . 1 1 27 27 LEU HD11 H 1 0.88 0.03 . . . . . . . . . . 6612 1 186 . 1 1 27 27 LEU HD12 H 1 0.88 0.03 . . . . . . . . . . 6612 1 187 . 1 1 27 27 LEU HD13 H 1 0.88 0.03 . . . . . . . . . . 6612 1 188 . 1 1 27 27 LEU HD21 H 1 0.83 0.03 . . . . . . . . . . 6612 1 189 . 1 1 27 27 LEU HD22 H 1 0.83 0.03 . . . . . . . . . . 6612 1 190 . 1 1 27 27 LEU HD23 H 1 0.83 0.03 . . . . . . . . . . 6612 1 191 . 1 1 27 27 LEU CA C 13 52.09 0.3 . . . . . . . . . . 6612 1 192 . 1 1 27 27 LEU CB C 13 40.1 0.3 . . . . . . . . . . 6612 1 193 . 1 1 27 27 LEU CD1 C 13 21.8 0.3 . . . . . . . . . . 6612 1 194 . 1 1 27 27 LEU CD2 C 13 21.8 0.3 . . . . . . . . . . 6612 1 195 . 1 1 27 27 LEU N N 15 129.9 0.3 . . . . . . . . . . 6612 1 196 . 1 1 28 28 VAL H H 1 9.84 0.03 . . . . . . . . . . 6612 1 197 . 1 1 28 28 VAL HA H 1 5.12 0.03 . . . . . . . . . . 6612 1 198 . 1 1 28 28 VAL HB H 1 2.05 0.03 . . . . . . . . . . 6612 1 199 . 1 1 28 28 VAL HG11 H 1 0.92 0.03 . . . . . . . . . . 6612 1 200 . 1 1 28 28 VAL HG12 H 1 0.92 0.03 . . . . . . . . . . 6612 1 201 . 1 1 28 28 VAL HG13 H 1 0.92 0.03 . . . . . . . . . . 6612 1 202 . 1 1 28 28 VAL HG21 H 1 0.74 0.03 . . . . . . . . . . 6612 1 203 . 1 1 28 28 VAL HG22 H 1 0.74 0.03 . . . . . . . . . . 6612 1 204 . 1 1 28 28 VAL HG23 H 1 0.74 0.03 . . . . . . . . . . 6612 1 205 . 1 1 28 28 VAL CA C 13 56.64 0.3 . . . . . . . . . . 6612 1 206 . 1 1 28 28 VAL CB C 13 33.8 0.3 . . . . . . . . . . 6612 1 207 . 1 1 28 28 VAL CG1 C 13 19.3 0.3 . . . . . . . . . . 6612 1 208 . 1 1 28 28 VAL CG2 C 13 15.3 0.3 . . . . . . . . . . 6612 1 209 . 1 1 28 28 VAL N N 15 119.3 0.3 . . . . . . . . . . 6612 1 210 . 1 1 29 29 ARG H H 1 9.26 0.03 . . . . . . . . . . 6612 1 211 . 1 1 29 29 ARG HA H 1 5.34 0.03 . . . . . . . . . . 6612 1 212 . 1 1 29 29 ARG HB2 H 1 1.95 0.03 . . . . . . . . . . 6612 1 213 . 1 1 29 29 ARG HB3 H 1 1.62 0.03 . . . . . . . . . . 6612 1 214 . 1 1 29 29 ARG HG2 H 1 1.64 0.03 . . . . . . . . . . 6612 1 215 . 1 1 29 29 ARG HG3 H 1 1.61 0.03 . . . . . . . . . . 6612 1 216 . 1 1 29 29 ARG HD2 H 1 3.25 0.03 . . . . . . . . . . 6612 1 217 . 1 1 29 29 ARG HD3 H 1 3.13 0.03 . . . . . . . . . . 6612 1 218 . 1 1 29 29 ARG CA C 13 49.8 0.3 . . . . . . . . . . 6612 1 219 . 1 1 29 29 ARG CB C 13 29.66 0.3 . . . . . . . . . . 6612 1 220 . 1 1 29 29 ARG CG C 13 24.8 0.3 . . . . . . . . . . 6612 1 221 . 1 1 29 29 ARG CD C 13 40.4 0.3 . . . . . . . . . . 6612 1 222 . 1 1 29 29 ARG N N 15 123.4 0.3 . . . . . . . . . . 6612 1 223 . 1 1 30 30 PRO HB2 H 1 1.46 0.03 . . . . . . . . . . 6612 1 224 . 1 1 30 30 PRO HB3 H 1 1.96 0.03 . . . . . . . . . . 6612 1 225 . 1 1 30 30 PRO HD2 H 1 4.10 0.03 . . . . . . . . . . 6612 1 226 . 1 1 30 30 PRO HD3 H 1 4.01 0.03 . . . . . . . . . . 6612 1 227 . 1 1 30 30 PRO CD C 13 48.2 0.3 . . . . . . . . . . 6612 1 228 . 1 1 31 31 LYS H H 1 8.34 0.03 . . . . . . . . . . 6612 1 229 . 1 1 31 31 LYS HA H 1 4.30 0.03 . . . . . . . . . . 6612 1 230 . 1 1 31 31 LYS N N 15 125.1 0.3 . . . . . . . . . . 6612 1 231 . 1 1 32 32 PRO HA H 1 4.09 0.03 . . . . . . . . . . 6612 1 232 . 1 1 32 32 PRO HB2 H 1 2.38 0.03 . . . . . . . . . . 6612 1 233 . 1 1 32 32 PRO HB3 H 1 2.22 0.03 . . . . . . . . . . 6612 1 234 . 1 1 32 32 PRO HG2 H 1 1.92 0.03 . . . . . . . . . . 6612 1 235 . 1 1 33 33 LEU H H 1 8.94 0.03 . . . . . . . . . . 6612 1 236 . 1 1 33 33 LEU HA H 1 4.20 0.03 . . . . . . . . . . 6612 1 237 . 1 1 33 33 LEU HB2 H 1 1.76 0.03 . . . . . . . . . . 6612 1 238 . 1 1 33 33 LEU HB3 H 1 1.53 0.03 . . . . . . . . . . 6612 1 239 . 1 1 33 33 LEU HG H 1 1.65 0.03 . . . . . . . . . . 6612 1 240 . 1 1 33 33 LEU HD11 H 1 0.94 0.03 . . . . . . . . . . 6612 1 241 . 1 1 33 33 LEU HD12 H 1 0.94 0.03 . . . . . . . . . . 6612 1 242 . 1 1 33 33 LEU HD13 H 1 0.94 0.03 . . . . . . . . . . 6612 1 243 . 1 1 33 33 LEU HD21 H 1 0.80 0.03 . . . . . . . . . . 6612 1 244 . 1 1 33 33 LEU HD22 H 1 0.80 0.03 . . . . . . . . . . 6612 1 245 . 1 1 33 33 LEU HD23 H 1 0.80 0.03 . . . . . . . . . . 6612 1 246 . 1 1 33 33 LEU CA C 13 55.3 0.3 . . . . . . . . . . 6612 1 247 . 1 1 33 33 LEU CB C 13 38.7 0.3 . . . . . . . . . . 6612 1 248 . 1 1 33 33 LEU CG C 13 24.14 0.3 . . . . . . . . . . 6612 1 249 . 1 1 33 33 LEU CD1 C 13 21.5 0.3 . . . . . . . . . . 6612 1 250 . 1 1 33 33 LEU CD2 C 13 22.2 0.3 . . . . . . . . . . 6612 1 251 . 1 1 33 33 LEU N N 15 120.3 0.3 . . . . . . . . . . 6612 1 252 . 1 1 34 34 LEU H H 1 7.38 0.03 . . . . . . . . . . 6612 1 253 . 1 1 34 34 LEU HA H 1 4.18 0.03 . . . . . . . . . . 6612 1 254 . 1 1 34 34 LEU HB2 H 1 1.50 0.03 . . . . . . . . . . 6612 1 255 . 1 1 34 34 LEU HB3 H 1 1.50 0.03 . . . . . . . . . . 6612 1 256 . 1 1 34 34 LEU HG H 1 1.73 0.03 . . . . . . . . . . 6612 1 257 . 1 1 34 34 LEU HD11 H 1 0.86 0.03 . . . . . . . . . . 6612 1 258 . 1 1 34 34 LEU HD12 H 1 0.86 0.03 . . . . . . . . . . 6612 1 259 . 1 1 34 34 LEU HD13 H 1 0.86 0.03 . . . . . . . . . . 6612 1 260 . 1 1 34 34 LEU HD21 H 1 0.85 0.03 . . . . . . . . . . 6612 1 261 . 1 1 34 34 LEU HD22 H 1 0.85 0.03 . . . . . . . . . . 6612 1 262 . 1 1 34 34 LEU HD23 H 1 0.85 0.03 . . . . . . . . . . 6612 1 263 . 1 1 34 34 LEU CA C 13 55.3 0.3 . . . . . . . . . . 6612 1 264 . 1 1 34 34 LEU CB C 13 38.7 0.3 . . . . . . . . . . 6612 1 265 . 1 1 34 34 LEU CD1 C 13 22.8 0.3 . . . . . . . . . . 6612 1 266 . 1 1 34 34 LEU CD2 C 13 22.2 0.3 . . . . . . . . . . 6612 1 267 . 1 1 34 34 LEU N N 15 120.2 0.3 . . . . . . . . . . 6612 1 268 . 1 1 35 35 LEU H H 1 8.65 0.03 . . . . . . . . . . 6612 1 269 . 1 1 35 35 LEU HA H 1 3.84 0.03 . . . . . . . . . . 6612 1 270 . 1 1 35 35 LEU HB2 H 1 1.90 0.03 . . . . . . . . . . 6612 1 271 . 1 1 35 35 LEU HB3 H 1 1.37 0.03 . . . . . . . . . . 6612 1 272 . 1 1 35 35 LEU HG H 1 1.45 0.03 . . . . . . . . . . 6612 1 273 . 1 1 35 35 LEU HD11 H 1 1.13 0.03 . . . . . . . . . . 6612 1 274 . 1 1 35 35 LEU HD12 H 1 1.13 0.03 . . . . . . . . . . 6612 1 275 . 1 1 35 35 LEU HD13 H 1 1.13 0.03 . . . . . . . . . . 6612 1 276 . 1 1 35 35 LEU HD21 H 1 1.01 0.03 . . . . . . . . . . 6612 1 277 . 1 1 35 35 LEU HD22 H 1 1.01 0.03 . . . . . . . . . . 6612 1 278 . 1 1 35 35 LEU HD23 H 1 1.01 0.03 . . . . . . . . . . 6612 1 279 . 1 1 35 35 LEU CA C 13 54.99 0.3 . . . . . . . . . . 6612 1 280 . 1 1 35 35 LEU CB C 13 38.7 0.3 . . . . . . . . . . 6612 1 281 . 1 1 35 35 LEU CG C 13 24.4 0.3 . . . . . . . . . . 6612 1 282 . 1 1 35 35 LEU CD1 C 13 20.5 0.3 . . . . . . . . . . 6612 1 283 . 1 1 35 35 LEU CD2 C 13 22.2 0.3 . . . . . . . . . . 6612 1 284 . 1 1 35 35 LEU N N 15 122.1 0.3 . . . . . . . . . . 6612 1 285 . 1 1 36 36 LYS H H 1 7.96 0.03 . . . . . . . . . . 6612 1 286 . 1 1 36 36 LYS HA H 1 4.17 0.03 . . . . . . . . . . 6612 1 287 . 1 1 36 36 LYS HB2 H 1 2.06 0.03 . . . . . . . . . . 6612 1 288 . 1 1 36 36 LYS HB3 H 1 1.95 0.03 . . . . . . . . . . 6612 1 289 . 1 1 36 36 LYS HG2 H 1 1.58 0.03 . . . . . . . . . . 6612 1 290 . 1 1 36 36 LYS HD2 H 1 1.66 0.03 . . . . . . . . . . 6612 1 291 . 1 1 36 36 LYS CB C 13 29.6 0.3 . . . . . . . . . . 6612 1 292 . 1 1 36 36 LYS N N 15 120.1 0.3 . . . . . . . . . . 6612 1 293 . 1 1 37 37 LEU H H 1 7.35 0.03 . . . . . . . . . . 6612 1 294 . 1 1 37 37 LEU HA H 1 3.75 0.03 . . . . . . . . . . 6612 1 295 . 1 1 37 37 LEU HB2 H 1 1.49 0.03 . . . . . . . . . . 6612 1 296 . 1 1 37 37 LEU HB3 H 1 1.49 0.03 . . . . . . . . . . 6612 1 297 . 1 1 37 37 LEU HG H 1 0.96 0.03 . . . . . . . . . . 6612 1 298 . 1 1 37 37 LEU HD11 H 1 0.23 0.03 . . . . . . . . . . 6612 1 299 . 1 1 37 37 LEU HD12 H 1 0.23 0.03 . . . . . . . . . . 6612 1 300 . 1 1 37 37 LEU HD13 H 1 0.23 0.03 . . . . . . . . . . 6612 1 301 . 1 1 37 37 LEU HD21 H 1 0.08 0.03 . . . . . . . . . . 6612 1 302 . 1 1 37 37 LEU HD22 H 1 0.08 0.03 . . . . . . . . . . 6612 1 303 . 1 1 37 37 LEU HD23 H 1 0.08 0.03 . . . . . . . . . . 6612 1 304 . 1 1 37 37 LEU CA C 13 56.99 0.3 . . . . . . . . . . 6612 1 305 . 1 1 37 37 LEU CB C 13 38.7 0.3 . . . . . . . . . . 6612 1 306 . 1 1 37 37 LEU CG C 13 24.2 0.3 . . . . . . . . . . 6612 1 307 . 1 1 37 37 LEU CD1 C 13 21.2 0.3 . . . . . . . . . . 6612 1 308 . 1 1 37 37 LEU CD2 C 13 24.14 0.3 . . . . . . . . . . 6612 1 309 . 1 1 37 37 LEU N N 15 123.2 0.3 . . . . . . . . . . 6612 1 310 . 1 1 38 38 LEU H H 1 8.20 0.03 . . . . . . . . . . 6612 1 311 . 1 1 38 38 LEU HA H 1 3.62 0.03 . . . . . . . . . . 6612 1 312 . 1 1 38 38 LEU HB2 H 1 1.68 0.03 . . . . . . . . . . 6612 1 313 . 1 1 38 38 LEU HB3 H 1 0.96 0.03 . . . . . . . . . . 6612 1 314 . 1 1 38 38 LEU HG H 1 1.73 0.03 . . . . . . . . . . 6612 1 315 . 1 1 38 38 LEU HD11 H 1 0.49 0.03 . . . . . . . . . . 6612 1 316 . 1 1 38 38 LEU HD12 H 1 0.49 0.03 . . . . . . . . . . 6612 1 317 . 1 1 38 38 LEU HD13 H 1 0.49 0.03 . . . . . . . . . . 6612 1 318 . 1 1 38 38 LEU HD21 H 1 0.23 0.03 . . . . . . . . . . 6612 1 319 . 1 1 38 38 LEU HD22 H 1 0.23 0.03 . . . . . . . . . . 6612 1 320 . 1 1 38 38 LEU HD23 H 1 0.23 0.03 . . . . . . . . . . 6612 1 321 . 1 1 38 38 LEU CA C 13 55.7 0.3 . . . . . . . . . . 6612 1 322 . 1 1 38 38 LEU CB C 13 37.13 0.3 . . . . . . . . . . 6612 1 323 . 1 1 38 38 LEU CG C 13 23.8 0.3 . . . . . . . . . . 6612 1 324 . 1 1 38 38 LEU CD1 C 13 19.9 0.3 . . . . . . . . . . 6612 1 325 . 1 1 38 38 LEU CD2 C 13 22.8 0.3 . . . . . . . . . . 6612 1 326 . 1 1 38 38 LEU N N 15 122.2 0.3 . . . . . . . . . . 6612 1 327 . 1 1 39 39 LYS H H 1 8.88 0.03 . . . . . . . . . . 6612 1 328 . 1 1 39 39 LYS HA H 1 4.27 0.03 . . . . . . . . . . 6612 1 329 . 1 1 39 39 LYS HB2 H 1 1.83 0.03 . . . . . . . . . . 6612 1 330 . 1 1 39 39 LYS HB3 H 1 1.83 0.03 . . . . . . . . . . 6612 1 331 . 1 1 39 39 LYS HG2 H 1 1.60 0.03 . . . . . . . . . . 6612 1 332 . 1 1 39 39 LYS HG3 H 1 1.31 0.03 . . . . . . . . . . 6612 1 333 . 1 1 39 39 LYS HD2 H 1 1.6 0.03 . . . . . . . . . . 6612 1 334 . 1 1 39 39 LYS HD3 H 1 1.6 0.03 . . . . . . . . . . 6612 1 335 . 1 1 39 39 LYS HE2 H 1 2.82 0.03 . . . . . . . . . . 6612 1 336 . 1 1 39 39 LYS HE3 H 1 2.82 0.03 . . . . . . . . . . 6612 1 337 . 1 1 39 39 LYS CA C 13 56.6 0.3 . . . . . . . . . . 6612 1 338 . 1 1 39 39 LYS CB C 13 29.66 0.3 . . . . . . . . . . 6612 1 339 . 1 1 39 39 LYS CG C 13 23.48 0.3 . . . . . . . . . . 6612 1 340 . 1 1 39 39 LYS CD C 13 26.73 0.3 . . . . . . . . . . 6612 1 341 . 1 1 39 39 LYS CE C 13 39.73 0.3 . . . . . . . . . . 6612 1 342 . 1 1 39 39 LYS N N 15 120.3 0.3 . . . . . . . . . . 6612 1 343 . 1 1 40 40 SER H H 1 7.90 0.03 . . . . . . . . . . 6612 1 344 . 1 1 40 40 SER HA H 1 4.46 0.03 . . . . . . . . . . 6612 1 345 . 1 1 40 40 SER HB2 H 1 4.25 0.03 . . . . . . . . . . 6612 1 346 . 1 1 40 40 SER CA C 13 59.3 0.3 . . . . . . . . . . 6612 1 347 . 1 1 40 40 SER CB C 13 60.5 0.3 . . . . . . . . . . 6612 1 348 . 1 1 40 40 SER N N 15 118.6 0.3 . . . . . . . . . . 6612 1 349 . 1 1 41 41 VAL H H 1 7.30 0.03 . . . . . . . . . . 6612 1 350 . 1 1 41 41 VAL HA H 1 4.83 0.03 . . . . . . . . . . 6612 1 351 . 1 1 41 41 VAL HB H 1 2.82 0.03 . . . . . . . . . . 6612 1 352 . 1 1 41 41 VAL HG11 H 1 1.27 0.03 . . . . . . . . . . 6612 1 353 . 1 1 41 41 VAL HG12 H 1 1.27 0.03 . . . . . . . . . . 6612 1 354 . 1 1 41 41 VAL HG13 H 1 1.27 0.03 . . . . . . . . . . 6612 1 355 . 1 1 41 41 VAL HG21 H 1 1.08 0.03 . . . . . . . . . . 6612 1 356 . 1 1 41 41 VAL HG22 H 1 1.08 0.03 . . . . . . . . . . 6612 1 357 . 1 1 41 41 VAL HG23 H 1 1.08 0.03 . . . . . . . . . . 6612 1 358 . 1 1 41 41 VAL CA C 13 58.2 0.3 . . . . . . . . . . 6612 1 359 . 1 1 41 41 VAL CB C 13 28.1 0.3 . . . . . . . . . . 6612 1 360 . 1 1 41 41 VAL CG1 C 13 17.0 0.3 . . . . . . . . . . 6612 1 361 . 1 1 41 41 VAL CG2 C 13 19.6 0.3 . . . . . . . . . . 6612 1 362 . 1 1 41 41 VAL N N 15 114.5 0.3 . . . . . . . . . . 6612 1 363 . 1 1 42 42 GLY H H 1 7.54 0.03 . . . . . . . . . . 6612 1 364 . 1 1 42 42 GLY HA2 H 1 4.43 0.03 . . . . . . . . . . 6612 1 365 . 1 1 42 42 GLY HA3 H 1 3.76 0.03 . . . . . . . . . . 6612 1 366 . 1 1 42 42 GLY CA C 13 42.6 0.3 . . . . . . . . . . 6612 1 367 . 1 1 42 42 GLY N N 15 108.4 0.3 . . . . . . . . . . 6612 1 368 . 1 1 43 43 ALA H H 1 7.35 0.03 . . . . . . . . . . 6612 1 369 . 1 1 43 43 ALA HA H 1 4.07 0.03 . . . . . . . . . . 6612 1 370 . 1 1 43 43 ALA HB1 H 1 0.59 0.03 . . . . . . . . . . 6612 1 371 . 1 1 43 43 ALA HB2 H 1 0.59 0.03 . . . . . . . . . . 6612 1 372 . 1 1 43 43 ALA HB3 H 1 0.59 0.03 . . . . . . . . . . 6612 1 373 . 1 1 43 43 ALA CA C 13 50.8 0.3 . . . . . . . . . . 6612 1 374 . 1 1 43 43 ALA CB C 13 15.95 0.3 . . . . . . . . . . 6612 1 375 . 1 1 43 43 ALA N N 15 126.9 0.3 . . . . . . . . . . 6612 1 376 . 1 1 44 44 GLN H H 1 8.79 0.03 . . . . . . . . . . 6612 1 377 . 1 1 44 44 GLN HA H 1 4.59 0.03 . . . . . . . . . . 6612 1 378 . 1 1 44 44 GLN HB2 H 1 2.35 0.03 . . . . . . . . . . 6612 1 379 . 1 1 44 44 GLN HB3 H 1 1.86 0.03 . . . . . . . . . . 6612 1 380 . 1 1 44 44 GLN HG2 H 1 2.43 0.03 . . . . . . . . . . 6612 1 381 . 1 1 44 44 GLN HG3 H 1 2.35 0.03 . . . . . . . . . . 6612 1 382 . 1 1 44 44 GLN CA C 13 53.4 0.3 . . . . . . . . . . 6612 1 383 . 1 1 44 44 GLN CB C 13 28.1 0.3 . . . . . . . . . . 6612 1 384 . 1 1 44 44 GLN CG C 13 30.96 0.3 . . . . . . . . . . 6612 1 385 . 1 1 44 44 GLN N N 15 120.0 0.3 . . . . . . . . . . 6612 1 386 . 1 1 45 45 LYS H H 1 7.42 0.03 . . . . . . . . . . 6612 1 387 . 1 1 45 45 LYS HA H 1 4.68 0.03 . . . . . . . . . . 6612 1 388 . 1 1 45 45 LYS HB2 H 1 1.71 0.03 . . . . . . . . . . 6612 1 389 . 1 1 45 45 LYS HB3 H 1 1.31 0.03 . . . . . . . . . . 6612 1 390 . 1 1 45 45 LYS HG2 H 1 1.26 0.03 . . . . . . . . . . 6612 1 391 . 1 1 45 45 LYS HG3 H 1 1.11 0.03 . . . . . . . . . . 6612 1 392 . 1 1 45 45 LYS HD2 H 1 1.64 0.03 . . . . . . . . . . 6612 1 393 . 1 1 45 45 LYS HD3 H 1 1.64 0.03 . . . . . . . . . . 6612 1 394 . 1 1 45 45 LYS HE2 H 1 2.90 0.03 . . . . . . . . . . 6612 1 395 . 1 1 45 45 LYS HE3 H 1 2.90 0.03 . . . . . . . . . . 6612 1 396 . 1 1 45 45 LYS CA C 13 53.06 0.3 . . . . . . . . . . 6612 1 397 . 1 1 45 45 LYS CB C 13 31.9 0.3 . . . . . . . . . . 6612 1 398 . 1 1 45 45 LYS CG C 13 21.5 0.3 . . . . . . . . . . 6612 1 399 . 1 1 45 45 LYS CD C 13 26.7 0.3 . . . . . . . . . . 6612 1 400 . 1 1 45 45 LYS CE C 13 39.1 0.3 . . . . . . . . . . 6612 1 401 . 1 1 45 45 LYS N N 15 120.4 0.3 . . . . . . . . . . 6612 1 402 . 1 1 46 46 ASP H H 1 8.52 0.03 . . . . . . . . . . 6612 1 403 . 1 1 46 46 ASP HA H 1 4.60 0.03 . . . . . . . . . . 6612 1 404 . 1 1 46 46 ASP HB2 H 1 2.74 0.03 . . . . . . . . . . 6612 1 405 . 1 1 46 46 ASP CA C 13 52.74 0.3 . . . . . . . . . . 6612 1 406 . 1 1 46 46 ASP CB C 13 39.1 0.3 . . . . . . . . . . 6612 1 407 . 1 1 46 46 ASP N N 15 119.3 0.3 . . . . . . . . . . 6612 1 408 . 1 1 47 47 THR H H 1 7.00 0.03 . . . . . . . . . . 6612 1 409 . 1 1 47 47 THR HA H 1 5.02 0.03 . . . . . . . . . . 6612 1 410 . 1 1 47 47 THR HB H 1 3.92 0.03 . . . . . . . . . . 6612 1 411 . 1 1 47 47 THR HG21 H 1 1.11 0.03 . . . . . . . . . . 6612 1 412 . 1 1 47 47 THR HG22 H 1 1.11 0.03 . . . . . . . . . . 6612 1 413 . 1 1 47 47 THR HG23 H 1 1.11 0.03 . . . . . . . . . . 6612 1 414 . 1 1 47 47 THR CA C 13 57.94 0.3 . . . . . . . . . . 6612 1 415 . 1 1 47 47 THR CB C 13 69.3 0.3 . . . . . . . . . . 6612 1 416 . 1 1 47 47 THR CG2 C 13 19.3 0.3 . . . . . . . . . . 6612 1 417 . 1 1 47 47 THR N N 15 112.8 0.3 . . . . . . . . . . 6612 1 418 . 1 1 48 48 TYR H H 1 8.76 0.03 . . . . . . . . . . 6612 1 419 . 1 1 48 48 TYR HA H 1 4.91 0.03 . . . . . . . . . . 6612 1 420 . 1 1 48 48 TYR HB2 H 1 3.55 0.03 . . . . . . . . . . 6612 1 421 . 1 1 48 48 TYR HB3 H 1 2.10 0.03 . . . . . . . . . . 6612 1 422 . 1 1 48 48 TYR HD1 H 1 6.87 0.03 . . . . . . . . . . 6612 1 423 . 1 1 48 48 TYR HE1 H 1 6.51 0.03 . . . . . . . . . . 6612 1 424 . 1 1 48 48 TYR CA C 13 55.1 0.3 . . . . . . . . . . 6612 1 425 . 1 1 48 48 TYR CB C 13 42.9 0.3 . . . . . . . . . . 6612 1 426 . 1 1 48 48 TYR CD1 C 13 129.1 0.3 . . . . . . . . . . 6612 1 427 . 1 1 48 48 TYR CE1 C 13 115.7 0.3 . . . . . . . . . . 6612 1 428 . 1 1 48 48 TYR N N 15 121.8 0.3 . . . . . . . . . . 6612 1 429 . 1 1 49 49 THR H H 1 9.04 0.03 . . . . . . . . . . 6612 1 430 . 1 1 49 49 THR HA H 1 5.37 0.03 . . . . . . . . . . 6612 1 431 . 1 1 49 49 THR HB H 1 4.81 0.03 . . . . . . . . . . 6612 1 432 . 1 1 49 49 THR HG21 H 1 1.33 0.03 . . . . . . . . . . 6612 1 433 . 1 1 49 49 THR HG22 H 1 1.33 0.03 . . . . . . . . . . 6612 1 434 . 1 1 49 49 THR HG23 H 1 1.33 0.03 . . . . . . . . . . 6612 1 435 . 1 1 49 49 THR CA C 13 58.26 0.3 . . . . . . . . . . 6612 1 436 . 1 1 49 49 THR CB C 13 68.7 0.3 . . . . . . . . . . 6612 1 437 . 1 1 49 49 THR CG2 C 13 19.9 0.3 . . . . . . . . . . 6612 1 438 . 1 1 49 49 THR N N 15 112.5 0.3 . . . . . . . . . . 6612 1 439 . 1 1 50 50 MET H H 1 8.27 0.03 . . . . . . . . . . 6612 1 440 . 1 1 50 50 MET HA H 1 4.38 0.03 . . . . . . . . . . 6612 1 441 . 1 1 50 50 MET HB2 H 1 2.40 0.03 . . . . . . . . . . 6612 1 442 . 1 1 50 50 MET HB3 H 1 2.23 0.03 . . . . . . . . . . 6612 1 443 . 1 1 50 50 MET HG2 H 1 2.76 0.03 . . . . . . . . . . 6612 1 444 . 1 1 50 50 MET HG3 H 1 2.51 0.03 . . . . . . . . . . 6612 1 445 . 1 1 50 50 MET HE1 H 1 1.04 0.03 . . . . . . . . . . 6612 1 446 . 1 1 50 50 MET HE2 H 1 1.04 0.03 . . . . . . . . . . 6612 1 447 . 1 1 50 50 MET HE3 H 1 1.04 0.03 . . . . . . . . . . 6612 1 448 . 1 1 50 50 MET CA C 13 54.1 0.3 . . . . . . . . . . 6612 1 449 . 1 1 50 50 MET CG C 13 29.9 0.3 . . . . . . . . . . 6612 1 450 . 1 1 50 50 MET CE C 13 12.7 0.3 . . . . . . . . . . 6612 1 451 . 1 1 50 50 MET N N 15 123.5 0.3 . . . . . . . . . . 6612 1 452 . 1 1 51 51 LYS H H 1 8.60 0.03 . . . . . . . . . . 6612 1 453 . 1 1 51 51 LYS HA H 1 4.12 0.03 . . . . . . . . . . 6612 1 454 . 1 1 51 51 LYS HB2 H 1 1.90 0.03 . . . . . . . . . . 6612 1 455 . 1 1 51 51 LYS HG2 H 1 2.35 0.03 . . . . . . . . . . 6612 1 456 . 1 1 51 51 LYS N N 15 119.6 0.3 . . . . . . . . . . 6612 1 457 . 1 1 52 52 GLU H H 1 7.95 0.03 . . . . . . . . . . 6612 1 458 . 1 1 52 52 GLU HA H 1 4.17 0.03 . . . . . . . . . . 6612 1 459 . 1 1 52 52 GLU HB2 H 1 3.01 0.03 . . . . . . . . . . 6612 1 460 . 1 1 52 52 GLU HB3 H 1 2.31 0.03 . . . . . . . . . . 6612 1 461 . 1 1 52 52 GLU CA C 13 56.9 0.3 . . . . . . . . . . 6612 1 462 . 1 1 52 52 GLU CB C 13 28.7 0.3 . . . . . . . . . . 6612 1 463 . 1 1 52 52 GLU N N 15 122.4 0.3 . . . . . . . . . . 6612 1 464 . 1 1 53 53 VAL H H 1 8.33 0.03 . . . . . . . . . . 6612 1 465 . 1 1 53 53 VAL HA H 1 3.34 0.03 . . . . . . . . . . 6612 1 466 . 1 1 53 53 VAL HB H 1 2.38 0.03 . . . . . . . . . . 6612 1 467 . 1 1 53 53 VAL HG11 H 1 0.78 0.03 . . . . . . . . . . 6612 1 468 . 1 1 53 53 VAL HG12 H 1 0.78 0.03 . . . . . . . . . . 6612 1 469 . 1 1 53 53 VAL HG13 H 1 0.78 0.03 . . . . . . . . . . 6612 1 470 . 1 1 53 53 VAL HG21 H 1 0.76 0.03 . . . . . . . . . . 6612 1 471 . 1 1 53 53 VAL HG22 H 1 0.76 0.03 . . . . . . . . . . 6612 1 472 . 1 1 53 53 VAL HG23 H 1 0.76 0.03 . . . . . . . . . . 6612 1 473 . 1 1 53 53 VAL CA C 13 65.41 0.3 . . . . . . . . . . 6612 1 474 . 1 1 53 53 VAL CB C 13 27.7 0.3 . . . . . . . . . . 6612 1 475 . 1 1 53 53 VAL CG1 C 13 19.6 0.3 . . . . . . . . . . 6612 1 476 . 1 1 53 53 VAL CG2 C 13 19.2 0.3 . . . . . . . . . . 6612 1 477 . 1 1 53 53 VAL N N 15 121.5 0.3 . . . . . . . . . . 6612 1 478 . 1 1 54 54 LEU H H 1 8.34 0.03 . . . . . . . . . . 6612 1 479 . 1 1 54 54 LEU HA H 1 3.95 0.03 . . . . . . . . . . 6612 1 480 . 1 1 54 54 LEU HB2 H 1 1.82 0.03 . . . . . . . . . . 6612 1 481 . 1 1 54 54 LEU HB3 H 1 1.75 0.03 . . . . . . . . . . 6612 1 482 . 1 1 54 54 LEU HD11 H 1 0.87 0.03 . . . . . . . . . . 6612 1 483 . 1 1 54 54 LEU HD12 H 1 0.87 0.03 . . . . . . . . . . 6612 1 484 . 1 1 54 54 LEU HD13 H 1 0.87 0.03 . . . . . . . . . . 6612 1 485 . 1 1 54 54 LEU HD21 H 1 0.77 0.03 . . . . . . . . . . 6612 1 486 . 1 1 54 54 LEU HD22 H 1 0.77 0.03 . . . . . . . . . . 6612 1 487 . 1 1 54 54 LEU HD23 H 1 0.77 0.03 . . . . . . . . . . 6612 1 488 . 1 1 54 54 LEU CA C 13 55.99 0.3 . . . . . . . . . . 6612 1 489 . 1 1 54 54 LEU CB C 13 39.08 0.3 . . . . . . . . . . 6612 1 490 . 1 1 54 54 LEU N N 15 121.1 0.3 . . . . . . . . . . 6612 1 491 . 1 1 55 55 PHE H H 1 8.13 0.03 . . . . . . . . . . 6612 1 492 . 1 1 55 55 PHE HA H 1 4.19 0.03 . . . . . . . . . . 6612 1 493 . 1 1 55 55 PHE HB2 H 1 3.18 0.03 . . . . . . . . . . 6612 1 494 . 1 1 55 55 PHE HB3 H 1 3.14 0.03 . . . . . . . . . . 6612 1 495 . 1 1 55 55 PHE HD1 H 1 6.55 0.03 . . . . . . . . . . 6612 1 496 . 1 1 55 55 PHE HE1 H 1 7.13 0.03 . . . . . . . . . . 6612 1 497 . 1 1 55 55 PHE CA C 13 58.9 0.3 . . . . . . . . . . 6612 1 498 . 1 1 55 55 PHE CB C 13 35.5 0.3 . . . . . . . . . . 6612 1 499 . 1 1 55 55 PHE CD1 C 13 128.7 0.3 . . . . . . . . . . 6612 1 500 . 1 1 55 55 PHE CE1 C 13 129.04 0.3 . . . . . . . . . . 6612 1 501 . 1 1 55 55 PHE N N 15 124.1 0.3 . . . . . . . . . . 6612 1 502 . 1 1 56 56 TYR H H 1 8.58 0.03 . . . . . . . . . . 6612 1 503 . 1 1 56 56 TYR HA H 1 3.95 0.03 . . . . . . . . . . 6612 1 504 . 1 1 56 56 TYR HB2 H 1 2.91 0.03 . . . . . . . . . . 6612 1 505 . 1 1 56 56 TYR HB3 H 1 2.78 0.03 . . . . . . . . . . 6612 1 506 . 1 1 56 56 TYR HD1 H 1 7.13 0.03 . . . . . . . . . . 6612 1 507 . 1 1 56 56 TYR HD2 H 1 7.13 0.03 . . . . . . . . . . 6612 1 508 . 1 1 56 56 TYR HE1 H 1 7.02 0.03 . . . . . . . . . . 6612 1 509 . 1 1 56 56 TYR CA C 13 59.8 0.3 . . . . . . . . . . 6612 1 510 . 1 1 56 56 TYR CB C 13 35.8 0.3 . . . . . . . . . . 6612 1 511 . 1 1 56 56 TYR CD1 C 13 130.3 0.3 . . . . . . . . . . 6612 1 512 . 1 1 56 56 TYR CD2 C 13 130.3 0.3 . . . . . . . . . . 6612 1 513 . 1 1 56 56 TYR CE1 C 13 115.1 0.3 . . . . . . . . . . 6612 1 514 . 1 1 56 56 TYR N N 15 121.9 0.3 . . . . . . . . . . 6612 1 515 . 1 1 57 57 LEU H H 1 8.95 0.03 . . . . . . . . . . 6612 1 516 . 1 1 57 57 LEU HA H 1 3.96 0.03 . . . . . . . . . . 6612 1 517 . 1 1 57 57 LEU HB2 H 1 1.76 0.03 . . . . . . . . . . 6612 1 518 . 1 1 57 57 LEU HB3 H 1 1.66 0.03 . . . . . . . . . . 6612 1 519 . 1 1 57 57 LEU HG H 1 1.72 0.03 . . . . . . . . . . 6612 1 520 . 1 1 57 57 LEU HD11 H 1 0.79 0.03 . . . . . . . . . . 6612 1 521 . 1 1 57 57 LEU HD12 H 1 0.79 0.03 . . . . . . . . . . 6612 1 522 . 1 1 57 57 LEU HD13 H 1 0.79 0.03 . . . . . . . . . . 6612 1 523 . 1 1 57 57 LEU HD21 H 1 0.79 0.03 . . . . . . . . . . 6612 1 524 . 1 1 57 57 LEU HD22 H 1 0.79 0.03 . . . . . . . . . . 6612 1 525 . 1 1 57 57 LEU HD23 H 1 0.79 0.03 . . . . . . . . . . 6612 1 526 . 1 1 57 57 LEU CA C 13 55.6 0.3 . . . . . . . . . . 6612 1 527 . 1 1 57 57 LEU CB C 13 39.4 0.3 . . . . . . . . . . 6612 1 528 . 1 1 57 57 LEU CG C 13 24.1 0.3 . . . . . . . . . . 6612 1 529 . 1 1 57 57 LEU CD1 C 13 22.51 0.3 . . . . . . . . . . 6612 1 530 . 1 1 57 57 LEU CD2 C 13 22.5 0.3 . . . . . . . . . . 6612 1 531 . 1 1 57 57 LEU N N 15 123.2 0.3 . . . . . . . . . . 6612 1 532 . 1 1 58 58 GLY H H 1 8.22 0.03 . . . . . . . . . . 6612 1 533 . 1 1 58 58 GLY HA2 H 1 3.98 0.03 . . . . . . . . . . 6612 1 534 . 1 1 58 58 GLY HA3 H 1 3.72 0.03 . . . . . . . . . . 6612 1 535 . 1 1 58 58 GLY CA C 13 44.93 0.3 . . . . . . . . . . 6612 1 536 . 1 1 58 58 GLY N N 15 127.2 0.3 . . . . . . . . . . 6612 1 537 . 1 1 59 59 GLN H H 1 7.72 0.03 . . . . . . . . . . 6612 1 538 . 1 1 59 59 GLN HA H 1 4.02 0.03 . . . . . . . . . . 6612 1 539 . 1 1 59 59 GLN HB2 H 1 2.25 0.03 . . . . . . . . . . 6612 1 540 . 1 1 59 59 GLN HB3 H 1 2.18 0.03 . . . . . . . . . . 6612 1 541 . 1 1 59 59 GLN HG2 H 1 2.08 0.03 . . . . . . . . . . 6612 1 542 . 1 1 59 59 GLN HG3 H 1 1.79 0.03 . . . . . . . . . . 6612 1 543 . 1 1 59 59 GLN HE21 H 1 7.15 0.03 . . . . . . . . . . 6612 1 544 . 1 1 59 59 GLN HE22 H 1 6.88 0.03 . . . . . . . . . . 6612 1 545 . 1 1 59 59 GLN CA C 13 57.29 0.3 . . . . . . . . . . 6612 1 546 . 1 1 59 59 GLN CB C 13 25.8 0.3 . . . . . . . . . . 6612 1 547 . 1 1 59 59 GLN CG C 13 30.9 0.3 . . . . . . . . . . 6612 1 548 . 1 1 59 59 GLN N N 15 122.4 0.3 . . . . . . . . . . 6612 1 549 . 1 1 59 59 GLN NE2 N 15 115.3 0.3 . . . . . . . . . . 6612 1 550 . 1 1 60 60 TYR H H 1 8.78 0.03 . . . . . . . . . . 6612 1 551 . 1 1 60 60 TYR HA H 1 3.95 0.03 . . . . . . . . . . 6612 1 552 . 1 1 60 60 TYR HB2 H 1 3.43 0.03 . . . . . . . . . . 6612 1 553 . 1 1 60 60 TYR HB3 H 1 2.91 0.03 . . . . . . . . . . 6612 1 554 . 1 1 60 60 TYR HD1 H 1 6.82 0.03 . . . . . . . . . . 6612 1 555 . 1 1 60 60 TYR HE1 H 1 6.78 0.03 . . . . . . . . . . 6612 1 556 . 1 1 60 60 TYR CA C 13 59.9 0.3 . . . . . . . . . . 6612 1 557 . 1 1 60 60 TYR CB C 13 35.51 0.3 . . . . . . . . . . 6612 1 558 . 1 1 60 60 TYR CD1 C 13 129.4 0.3 . . . . . . . . . . 6612 1 559 . 1 1 60 60 TYR CE1 C 13 115.1 0.3 . . . . . . . . . . 6612 1 560 . 1 1 60 60 TYR N N 15 126.3 0.3 . . . . . . . . . . 6612 1 561 . 1 1 61 61 ILE H H 1 8.49 0.03 . . . . . . . . . . 6612 1 562 . 1 1 61 61 ILE HA H 1 3.30 0.03 . . . . . . . . . . 6612 1 563 . 1 1 61 61 ILE HB H 1 1.88 0.03 . . . . . . . . . . 6612 1 564 . 1 1 61 61 ILE HG12 H 1 1.74 0.03 . . . . . . . . . . 6612 1 565 . 1 1 61 61 ILE HG13 H 1 1.74 0.03 . . . . . . . . . . 6612 1 566 . 1 1 61 61 ILE HG21 H 1 0.75 0.03 . . . . . . . . . . 6612 1 567 . 1 1 61 61 ILE HG22 H 1 0.75 0.03 . . . . . . . . . . 6612 1 568 . 1 1 61 61 ILE HG23 H 1 0.75 0.03 . . . . . . . . . . 6612 1 569 . 1 1 61 61 ILE HD11 H 1 0.93 0.03 . . . . . . . . . . 6612 1 570 . 1 1 61 61 ILE HD12 H 1 0.93 0.03 . . . . . . . . . . 6612 1 571 . 1 1 61 61 ILE HD13 H 1 0.93 0.03 . . . . . . . . . . 6612 1 572 . 1 1 61 61 ILE CA C 13 62.8 0.3 . . . . . . . . . . 6612 1 573 . 1 1 61 61 ILE CB C 13 36.1 0.3 . . . . . . . . . . 6612 1 574 . 1 1 61 61 ILE CG1 C 13 26.41 0.3 . . . . . . . . . . 6612 1 575 . 1 1 61 61 ILE CG2 C 13 15.4 0.3 . . . . . . . . . . 6612 1 576 . 1 1 61 61 ILE CD1 C 13 11.79 0.3 . . . . . . . . . . 6612 1 577 . 1 1 61 61 ILE N N 15 120.8 0.3 . . . . . . . . . . 6612 1 578 . 1 1 62 62 MET H H 1 7.96 0.03 . . . . . . . . . . 6612 1 579 . 1 1 62 62 MET HA H 1 4.47 0.03 . . . . . . . . . . 6612 1 580 . 1 1 62 62 MET HB2 H 1 2.23 0.03 . . . . . . . . . . 6612 1 581 . 1 1 62 62 MET HB3 H 1 1.93 0.03 . . . . . . . . . . 6612 1 582 . 1 1 62 62 MET HG2 H 1 2.70 0.03 . . . . . . . . . . 6612 1 583 . 1 1 62 62 MET HG3 H 1 2.23 0.03 . . . . . . . . . . 6612 1 584 . 1 1 62 62 MET HE1 H 1 1.96 0.03 . . . . . . . . . . 6612 1 585 . 1 1 62 62 MET HE2 H 1 1.96 0.03 . . . . . . . . . . 6612 1 586 . 1 1 62 62 MET HE3 H 1 1.96 0.03 . . . . . . . . . . 6612 1 587 . 1 1 62 62 MET CA C 13 55.99 0.3 . . . . . . . . . . 6612 1 588 . 1 1 62 62 MET CB C 13 29.4 0.3 . . . . . . . . . . 6612 1 589 . 1 1 62 62 MET CG C 13 29.3 0.3 . . . . . . . . . . 6612 1 590 . 1 1 62 62 MET CE C 13 13.7 0.3 . . . . . . . . . . 6612 1 591 . 1 1 62 62 MET N N 15 117.4 0.3 . . . . . . . . . . 6612 1 592 . 1 1 63 63 THR H H 1 8.61 0.03 . . . . . . . . . . 6612 1 593 . 1 1 63 63 THR HA H 1 4.05 0.03 . . . . . . . . . . 6612 1 594 . 1 1 63 63 THR HB H 1 4.19 0.03 . . . . . . . . . . 6612 1 595 . 1 1 63 63 THR HG21 H 1 1.31 0.03 . . . . . . . . . . 6612 1 596 . 1 1 63 63 THR HG22 H 1 1.31 0.03 . . . . . . . . . . 6612 1 597 . 1 1 63 63 THR HG23 H 1 1.31 0.03 . . . . . . . . . . 6612 1 598 . 1 1 63 63 THR CA C 13 63.78 0.3 . . . . . . . . . . 6612 1 599 . 1 1 63 63 THR CB C 13 67.3 0.3 . . . . . . . . . . 6612 1 600 . 1 1 63 63 THR CG2 C 13 18.6 0.3 . . . . . . . . . . 6612 1 601 . 1 1 63 63 THR N N 15 118.2 0.3 . . . . . . . . . . 6612 1 602 . 1 1 64 64 LYS H H 1 7.89 0.03 . . . . . . . . . . 6612 1 603 . 1 1 64 64 LYS HA H 1 4.08 0.03 . . . . . . . . . . 6612 1 604 . 1 1 64 64 LYS HB2 H 1 1.67 0.03 . . . . . . . . . . 6612 1 605 . 1 1 64 64 LYS HB3 H 1 1.35 0.03 . . . . . . . . . . 6612 1 606 . 1 1 64 64 LYS HG2 H 1 0.97 0.03 . . . . . . . . . . 6612 1 607 . 1 1 64 64 LYS HG3 H 1 0.89 0.03 . . . . . . . . . . 6612 1 608 . 1 1 64 64 LYS HD2 H 1 1.36 0.03 . . . . . . . . . . 6612 1 609 . 1 1 64 64 LYS HD3 H 1 1.24 0.03 . . . . . . . . . . 6612 1 610 . 1 1 64 64 LYS HE2 H 1 2.94 0.03 . . . . . . . . . . 6612 1 611 . 1 1 64 64 LYS HE3 H 1 2.92 0.03 . . . . . . . . . . 6612 1 612 . 1 1 64 64 LYS CA C 13 52.7 0.3 . . . . . . . . . . 6612 1 613 . 1 1 64 64 LYS CB C 13 28.04 0.3 . . . . . . . . . . 6612 1 614 . 1 1 64 64 LYS CG C 13 21.86 0.3 . . . . . . . . . . 6612 1 615 . 1 1 64 64 LYS CD C 13 24.8 0.3 . . . . . . . . . . 6612 1 616 . 1 1 64 64 LYS CE C 13 39.41 0.3 . . . . . . . . . . 6612 1 617 . 1 1 64 64 LYS N N 15 120.2 0.3 . . . . . . . . . . 6612 1 618 . 1 1 65 65 ARG H H 1 7.62 0.03 . . . . . . . . . . 6612 1 619 . 1 1 65 65 ARG HA H 1 3.81 0.03 . . . . . . . . . . 6612 1 620 . 1 1 65 65 ARG HB2 H 1 1.96 0.03 . . . . . . . . . . 6612 1 621 . 1 1 65 65 ARG HB3 H 1 1.96 0.03 . . . . . . . . . . 6612 1 622 . 1 1 65 65 ARG HG2 H 1 1.61 0.03 . . . . . . . . . . 6612 1 623 . 1 1 65 65 ARG HG3 H 1 1.61 0.03 . . . . . . . . . . 6612 1 624 . 1 1 65 65 ARG HD2 H 1 3.29 0.03 . . . . . . . . . . 6612 1 625 . 1 1 65 65 ARG HD3 H 1 3.29 0.03 . . . . . . . . . . 6612 1 626 . 1 1 65 65 ARG CA C 13 54.04 0.3 . . . . . . . . . . 6612 1 627 . 1 1 65 65 ARG CB C 13 29.6 0.3 . . . . . . . . . . 6612 1 628 . 1 1 65 65 ARG CG C 13 25.4 0.3 . . . . . . . . . . 6612 1 629 . 1 1 65 65 ARG CD C 13 40.7 0.3 . . . . . . . . . . 6612 1 630 . 1 1 65 65 ARG N N 15 118.1 0.3 . . . . . . . . . . 6612 1 631 . 1 1 66 66 LEU H H 1 7.68 0.03 . . . . . . . . . . 6612 1 632 . 1 1 66 66 LEU HA H 1 4.45 0.03 . . . . . . . . . . 6612 1 633 . 1 1 66 66 LEU HB2 H 1 1.99 0.03 . . . . . . . . . . 6612 1 634 . 1 1 66 66 LEU HB3 H 1 1.37 0.03 . . . . . . . . . . 6612 1 635 . 1 1 66 66 LEU HD11 H 1 0.81 0.03 . . . . . . . . . . 6612 1 636 . 1 1 66 66 LEU HD12 H 1 0.81 0.03 . . . . . . . . . . 6612 1 637 . 1 1 66 66 LEU HD13 H 1 0.81 0.03 . . . . . . . . . . 6612 1 638 . 1 1 66 66 LEU HD21 H 1 0.81 0.03 . . . . . . . . . . 6612 1 639 . 1 1 66 66 LEU HD22 H 1 0.81 0.03 . . . . . . . . . . 6612 1 640 . 1 1 66 66 LEU HD23 H 1 0.81 0.03 . . . . . . . . . . 6612 1 641 . 1 1 66 66 LEU CA C 13 53.06 0.3 . . . . . . . . . . 6612 1 642 . 1 1 66 66 LEU CB C 13 39.4 0.3 . . . . . . . . . . 6612 1 643 . 1 1 66 66 LEU CD1 C 13 18.9 0.3 . . . . . . . . . . 6612 1 644 . 1 1 66 66 LEU CD2 C 13 18.6 0.3 . . . . . . . . . . 6612 1 645 . 1 1 66 66 LEU N N 15 116.9 0.3 . . . . . . . . . . 6612 1 646 . 1 1 67 67 TYR H H 1 8.70 0.03 . . . . . . . . . . 6612 1 647 . 1 1 67 67 TYR HA H 1 5.11 0.03 . . . . . . . . . . 6612 1 648 . 1 1 67 67 TYR HB2 H 1 3.07 0.03 . . . . . . . . . . 6612 1 649 . 1 1 67 67 TYR HB3 H 1 2.64 0.03 . . . . . . . . . . 6612 1 650 . 1 1 67 67 TYR HD1 H 1 6.92 0.03 . . . . . . . . . . 6612 1 651 . 1 1 67 67 TYR HE1 H 1 6.82 0.03 . . . . . . . . . . 6612 1 652 . 1 1 67 67 TYR CA C 13 53.06 0.3 . . . . . . . . . . 6612 1 653 . 1 1 67 67 TYR CB C 13 36.5 0.3 . . . . . . . . . . 6612 1 654 . 1 1 67 67 TYR CD1 C 13 130.3 0.3 . . . . . . . . . . 6612 1 655 . 1 1 67 67 TYR CE1 C 13 115.4 0.3 . . . . . . . . . . 6612 1 656 . 1 1 67 67 TYR N N 15 126.3 0.3 . . . . . . . . . . 6612 1 657 . 1 1 68 68 ASP H H 1 8.66 0.03 . . . . . . . . . . 6612 1 658 . 1 1 68 68 ASP HA H 1 4.51 0.03 . . . . . . . . . . 6612 1 659 . 1 1 68 68 ASP HB2 H 1 3.25 0.03 . . . . . . . . . . 6612 1 660 . 1 1 68 68 ASP HB3 H 1 2.42 0.03 . . . . . . . . . . 6612 1 661 . 1 1 68 68 ASP CA C 13 52.09 0.3 . . . . . . . . . . 6612 1 662 . 1 1 68 68 ASP CB C 13 40.1 0.3 . . . . . . . . . . 6612 1 663 . 1 1 68 68 ASP N N 15 125.3 0.3 . . . . . . . . . . 6612 1 664 . 1 1 69 69 GLU H H 1 8.68 0.03 . . . . . . . . . . 6612 1 665 . 1 1 69 69 GLU HA H 1 4.03 0.03 . . . . . . . . . . 6612 1 666 . 1 1 69 69 GLU HB2 H 1 2.09 0.03 . . . . . . . . . . 6612 1 667 . 1 1 69 69 GLU HG2 H 1 2.35 0.03 . . . . . . . . . . 6612 1 668 . 1 1 69 69 GLU HG3 H 1 2.32 0.03 . . . . . . . . . . 6612 1 669 . 1 1 69 69 GLU CA C 13 56.9 0.3 . . . . . . . . . . 6612 1 670 . 1 1 69 69 GLU CB C 13 26.7 0.3 . . . . . . . . . . 6612 1 671 . 1 1 69 69 GLU CG C 13 33.6 0.3 . . . . . . . . . . 6612 1 672 . 1 1 69 69 GLU N N 15 125.9 0.3 . . . . . . . . . . 6612 1 673 . 1 1 70 70 LYS H H 1 8.30 0.03 . . . . . . . . . . 6612 1 674 . 1 1 70 70 LYS HA H 1 4.42 0.03 . . . . . . . . . . 6612 1 675 . 1 1 70 70 LYS HB2 H 1 1.95 0.03 . . . . . . . . . . 6612 1 676 . 1 1 70 70 LYS HB3 H 1 1.95 0.03 . . . . . . . . . . 6612 1 677 . 1 1 70 70 LYS HG2 H 1 1.52 0.03 . . . . . . . . . . 6612 1 678 . 1 1 70 70 LYS HG3 H 1 1.44 0.03 . . . . . . . . . . 6612 1 679 . 1 1 70 70 LYS HD2 H 1 1.72 0.03 . . . . . . . . . . 6612 1 680 . 1 1 70 70 LYS HD3 H 1 1.72 0.03 . . . . . . . . . . 6612 1 681 . 1 1 70 70 LYS HE2 H 1 2.99 0.03 . . . . . . . . . . 6612 1 682 . 1 1 70 70 LYS HE3 H 1 2.99 0.03 . . . . . . . . . . 6612 1 683 . 1 1 70 70 LYS CA C 13 54.69 0.3 . . . . . . . . . . 6612 1 684 . 1 1 70 70 LYS CB C 13 30.31 0.3 . . . . . . . . . . 6612 1 685 . 1 1 70 70 LYS CG C 13 22.18 0.3 . . . . . . . . . . 6612 1 686 . 1 1 70 70 LYS CD C 13 26.4 0.3 . . . . . . . . . . 6612 1 687 . 1 1 70 70 LYS CE C 13 39.4 0.3 . . . . . . . . . . 6612 1 688 . 1 1 70 70 LYS N N 15 118.4 0.3 . . . . . . . . . . 6612 1 689 . 1 1 71 71 GLN H H 1 8.42 0.03 . . . . . . . . . . 6612 1 690 . 1 1 71 71 GLN HA H 1 4.65 0.03 . . . . . . . . . . 6612 1 691 . 1 1 71 71 GLN HB2 H 1 1.89 0.03 . . . . . . . . . . 6612 1 692 . 1 1 71 71 GLN HB3 H 1 1.81 0.03 . . . . . . . . . . 6612 1 693 . 1 1 71 71 GLN HG2 H 1 2.32 0.03 . . . . . . . . . . 6612 1 694 . 1 1 71 71 GLN HG3 H 1 2.19 0.03 . . . . . . . . . . 6612 1 695 . 1 1 71 71 GLN HE21 H 1 7.69 0.03 . . . . . . . . . . 6612 1 696 . 1 1 71 71 GLN HE22 H 1 6.96 0.03 . . . . . . . . . . 6612 1 697 . 1 1 71 71 GLN CB C 13 26.1 0.3 . . . . . . . . . . 6612 1 698 . 1 1 71 71 GLN CG C 13 30.96 0.3 . . . . . . . . . . 6612 1 699 . 1 1 71 71 GLN N N 15 123.0 0.3 . . . . . . . . . . 6612 1 700 . 1 1 72 72 GLN H H 1 8.35 0.03 . . . . . . . . . . 6612 1 701 . 1 1 72 72 GLN HA H 1 4.45 0.03 . . . . . . . . . . 6612 1 702 . 1 1 72 72 GLN HB2 H 1 1.91 0.03 . . . . . . . . . . 6612 1 703 . 1 1 72 72 GLN HB3 H 1 1.81 0.03 . . . . . . . . . . 6612 1 704 . 1 1 72 72 GLN HG2 H 1 2.47 0.03 . . . . . . . . . . 6612 1 705 . 1 1 72 72 GLN HG3 H 1 2.35 0.03 . . . . . . . . . . 6612 1 706 . 1 1 72 72 GLN HE21 H 1 7.47 0.03 . . . . . . . . . . 6612 1 707 . 1 1 72 72 GLN CA C 13 56.31 0.3 . . . . . . . . . . 6612 1 708 . 1 1 72 72 GLN CB C 13 24.8 0.3 . . . . . . . . . . 6612 1 709 . 1 1 72 72 GLN CG C 13 31.3 0.3 . . . . . . . . . . 6612 1 710 . 1 1 72 72 GLN N N 15 120.9 0.3 . . . . . . . . . . 6612 1 711 . 1 1 73 73 HIS H H 1 7.83 0.03 . . . . . . . . . . 6612 1 712 . 1 1 73 73 HIS HA H 1 4.60 0.03 . . . . . . . . . . 6612 1 713 . 1 1 73 73 HIS HB2 H 1 3.25 0.03 . . . . . . . . . . 6612 1 714 . 1 1 73 73 HIS HB3 H 1 2.98 0.03 . . . . . . . . . . 6612 1 715 . 1 1 73 73 HIS HD1 H 1 7.11 0.03 . . . . . . . . . . 6612 1 716 . 1 1 73 73 HIS HE1 H 1 5.62 0.03 . . . . . . . . . . 6612 1 717 . 1 1 73 73 HIS CA C 13 53.4 0.3 . . . . . . . . . . 6612 1 718 . 1 1 73 73 HIS CB C 13 28.04 0.3 . . . . . . . . . . 6612 1 719 . 1 1 73 73 HIS N N 15 114.5 0.3 . . . . . . . . . . 6612 1 720 . 1 1 74 74 ILE H H 1 7.77 0.03 . . . . . . . . . . 6612 1 721 . 1 1 74 74 ILE HA H 1 4.13 0.03 . . . . . . . . . . 6612 1 722 . 1 1 74 74 ILE HB H 1 1.78 0.03 . . . . . . . . . . 6612 1 723 . 1 1 74 74 ILE HG12 H 1 0.81 0.03 . . . . . . . . . . 6612 1 724 . 1 1 74 74 ILE HG13 H 1 0.81 0.03 . . . . . . . . . . 6612 1 725 . 1 1 74 74 ILE HG21 H 1 0.27 0.03 . . . . . . . . . . 6612 1 726 . 1 1 74 74 ILE HG22 H 1 0.27 0.03 . . . . . . . . . . 6612 1 727 . 1 1 74 74 ILE HG23 H 1 0.27 0.03 . . . . . . . . . . 6612 1 728 . 1 1 74 74 ILE HD11 H 1 0.62 0.03 . . . . . . . . . . 6612 1 729 . 1 1 74 74 ILE HD12 H 1 0.62 0.03 . . . . . . . . . . 6612 1 730 . 1 1 74 74 ILE HD13 H 1 0.62 0.03 . . . . . . . . . . 6612 1 731 . 1 1 74 74 ILE CA C 13 57.29 0.3 . . . . . . . . . . 6612 1 732 . 1 1 74 74 ILE CB C 13 34.21 0.3 . . . . . . . . . . 6612 1 733 . 1 1 74 74 ILE CG1 C 13 23.81 0.3 . . . . . . . . . . 6612 1 734 . 1 1 74 74 ILE CG2 C 13 13.7 0.3 . . . . . . . . . . 6612 1 735 . 1 1 74 74 ILE CD1 C 13 8.22 0.3 . . . . . . . . . . 6612 1 736 . 1 1 74 74 ILE N N 15 124.5 0.3 . . . . . . . . . . 6612 1 737 . 1 1 75 75 VAL H H 1 8.42 0.03 . . . . . . . . . . 6612 1 738 . 1 1 75 75 VAL HA H 1 3.83 0.03 . . . . . . . . . . 6612 1 739 . 1 1 75 75 VAL HB H 1 0.37 0.03 . . . . . . . . . . 6612 1 740 . 1 1 75 75 VAL HG11 H 1 0.35 0.03 . . . . . . . . . . 6612 1 741 . 1 1 75 75 VAL HG12 H 1 0.35 0.03 . . . . . . . . . . 6612 1 742 . 1 1 75 75 VAL HG13 H 1 0.35 0.03 . . . . . . . . . . 6612 1 743 . 1 1 75 75 VAL HG21 H 1 0.42 0.03 . . . . . . . . . . 6612 1 744 . 1 1 75 75 VAL HG22 H 1 0.42 0.03 . . . . . . . . . . 6612 1 745 . 1 1 75 75 VAL HG23 H 1 0.42 0.03 . . . . . . . . . . 6612 1 746 . 1 1 75 75 VAL CA C 13 58.26 0.3 . . . . . . . . . . 6612 1 747 . 1 1 75 75 VAL CB C 13 29.6 0.3 . . . . . . . . . . 6612 1 748 . 1 1 75 75 VAL CG1 C 13 19.59 0.3 . . . . . . . . . . 6612 1 749 . 1 1 75 75 VAL CG2 C 13 19.91 0.3 . . . . . . . . . . 6612 1 750 . 1 1 75 75 VAL N N 15 128.03 0.3 . . . . . . . . . . 6612 1 751 . 1 1 76 76 TYR H H 1 8.40 0.03 . . . . . . . . . . 6612 1 752 . 1 1 76 76 TYR HA H 1 4.90 0.03 . . . . . . . . . . 6612 1 753 . 1 1 76 76 TYR HB2 H 1 3.22 0.03 . . . . . . . . . . 6612 1 754 . 1 1 76 76 TYR HB3 H 1 2.86 0.03 . . . . . . . . . . 6612 1 755 . 1 1 76 76 TYR HD1 H 1 7.11 0.03 . . . . . . . . . . 6612 1 756 . 1 1 76 76 TYR HE1 H 1 6.78 0.03 . . . . . . . . . . 6612 1 757 . 1 1 76 76 TYR CA C 13 55.02 0.3 . . . . . . . . . . 6612 1 758 . 1 1 76 76 TYR CB C 13 36.16 0.3 . . . . . . . . . . 6612 1 759 . 1 1 76 76 TYR CD1 C 13 130.1 0.3 . . . . . . . . . . 6612 1 760 . 1 1 76 76 TYR CE1 C 13 115.4 0.3 . . . . . . . . . . 6612 1 761 . 1 1 76 76 TYR N N 15 127.5 0.3 . . . . . . . . . . 6612 1 762 . 1 1 77 77 CYS H H 1 8.47 0.03 . . . . . . . . . . 6612 1 763 . 1 1 77 77 CYS HA H 1 4.91 0.03 . . . . . . . . . . 6612 1 764 . 1 1 77 77 CYS HB2 H 1 3.23 0.03 . . . . . . . . . . 6612 1 765 . 1 1 77 77 CYS CA C 13 54.3 0.3 . . . . . . . . . . 6612 1 766 . 1 1 77 77 CYS CB C 13 41.35 0.3 . . . . . . . . . . 6612 1 767 . 1 1 77 77 CYS N N 15 119.2 0.3 . . . . . . . . . . 6612 1 768 . 1 1 78 78 SER H H 1 7.78 0.03 . . . . . . . . . . 6612 1 769 . 1 1 78 78 SER HA H 1 4.31 0.03 . . . . . . . . . . 6612 1 770 . 1 1 78 78 SER HB2 H 1 4.05 0.03 . . . . . . . . . . 6612 1 771 . 1 1 78 78 SER HB3 H 1 3.95 0.03 . . . . . . . . . . 6612 1 772 . 1 1 78 78 SER CA C 13 57.3 0.3 . . . . . . . . . . 6612 1 773 . 1 1 78 78 SER N N 15 118.6 0.3 . . . . . . . . . . 6612 1 774 . 1 1 79 79 ASN H H 1 8.82 0.03 . . . . . . . . . . 6612 1 775 . 1 1 79 79 ASN HA H 1 4.79 0.03 . . . . . . . . . . 6612 1 776 . 1 1 79 79 ASN HB2 H 1 3.00 0.03 . . . . . . . . . . 6612 1 777 . 1 1 79 79 ASN HB3 H 1 2.81 0.03 . . . . . . . . . . 6612 1 778 . 1 1 79 79 ASN N N 15 120.2 0.3 . . . . . . . . . . 6612 1 779 . 1 1 80 80 ASP H H 1 7.73 0.03 . . . . . . . . . . 6612 1 780 . 1 1 80 80 ASP HA H 1 4.77 0.03 . . . . . . . . . . 6612 1 781 . 1 1 80 80 ASP HB2 H 1 2.45 0.03 . . . . . . . . . . 6612 1 782 . 1 1 80 80 ASP HB3 H 1 2.45 0.03 . . . . . . . . . . 6612 1 783 . 1 1 80 80 ASP CB C 13 44.6 0.3 . . . . . . . . . . 6612 1 784 . 1 1 80 80 ASP N N 15 120.4 0.3 . . . . . . . . . . 6612 1 785 . 1 1 81 81 LEU H H 1 7.90 0.03 . . . . . . . . . . 6612 1 786 . 1 1 81 81 LEU HA H 1 4.23 0.03 . . . . . . . . . . 6612 1 787 . 1 1 81 81 LEU HB2 H 1 1.72 0.03 . . . . . . . . . . 6612 1 788 . 1 1 81 81 LEU HB3 H 1 1.50 0.03 . . . . . . . . . . 6612 1 789 . 1 1 81 81 LEU HD11 H 1 0.85 0.03 . . . . . . . . . . 6612 1 790 . 1 1 81 81 LEU HD12 H 1 0.85 0.03 . . . . . . . . . . 6612 1 791 . 1 1 81 81 LEU HD13 H 1 0.85 0.03 . . . . . . . . . . 6612 1 792 . 1 1 81 81 LEU HD21 H 1 0.97 0.03 . . . . . . . . . . 6612 1 793 . 1 1 81 81 LEU HD22 H 1 0.97 0.03 . . . . . . . . . . 6612 1 794 . 1 1 81 81 LEU HD23 H 1 0.97 0.03 . . . . . . . . . . 6612 1 795 . 1 1 81 81 LEU CB C 13 39.4 0.3 . . . . . . . . . . 6612 1 796 . 1 1 81 81 LEU CD1 C 13 20.9 0.3 . . . . . . . . . . 6612 1 797 . 1 1 81 81 LEU CD2 C 13 20.9 0.3 . . . . . . . . . . 6612 1 798 . 1 1 81 81 LEU N N 15 122.8 0.3 . . . . . . . . . . 6612 1 799 . 1 1 82 82 LEU H H 1 9.90 0.03 . . . . . . . . . . 6612 1 800 . 1 1 82 82 LEU HA H 1 3.62 0.03 . . . . . . . . . . 6612 1 801 . 1 1 82 82 LEU HB2 H 1 1.62 0.03 . . . . . . . . . . 6612 1 802 . 1 1 82 82 LEU HB3 H 1 1.43 0.03 . . . . . . . . . . 6612 1 803 . 1 1 82 82 LEU HG H 1 1.42 0.03 . . . . . . . . . . 6612 1 804 . 1 1 82 82 LEU HD11 H 1 0.74 0.03 . . . . . . . . . . 6612 1 805 . 1 1 82 82 LEU HD12 H 1 0.74 0.03 . . . . . . . . . . 6612 1 806 . 1 1 82 82 LEU HD13 H 1 0.74 0.03 . . . . . . . . . . 6612 1 807 . 1 1 82 82 LEU HD21 H 1 0.07 0.03 . . . . . . . . . . 6612 1 808 . 1 1 82 82 LEU HD22 H 1 0.07 0.03 . . . . . . . . . . 6612 1 809 . 1 1 82 82 LEU HD23 H 1 0.07 0.03 . . . . . . . . . . 6612 1 810 . 1 1 82 82 LEU CA C 13 55.66 0.3 . . . . . . . . . . 6612 1 811 . 1 1 82 82 LEU CB C 13 39.7 0.3 . . . . . . . . . . 6612 1 812 . 1 1 82 82 LEU CG C 13 24.1 0.3 . . . . . . . . . . 6612 1 813 . 1 1 82 82 LEU CD1 C 13 23.2 0.3 . . . . . . . . . . 6612 1 814 . 1 1 82 82 LEU CD2 C 13 20.0 0.3 . . . . . . . . . . 6612 1 815 . 1 1 82 82 LEU N N 15 120.4 0.3 . . . . . . . . . . 6612 1 816 . 1 1 83 83 GLY H H 1 7.80 0.03 . . . . . . . . . . 6612 1 817 . 1 1 83 83 GLY HA2 H 1 4.19 0.03 . . . . . . . . . . 6612 1 818 . 1 1 83 83 GLY HA3 H 1 4.17 0.03 . . . . . . . . . . 6612 1 819 . 1 1 83 83 GLY CA C 13 45.25 0.3 . . . . . . . . . . 6612 1 820 . 1 1 83 83 GLY N N 15 127.9 0.3 . . . . . . . . . . 6612 1 821 . 1 1 84 84 ASP H H 1 7.56 0.03 . . . . . . . . . . 6612 1 822 . 1 1 84 84 ASP HA H 1 4.45 0.03 . . . . . . . . . . 6612 1 823 . 1 1 84 84 ASP HB2 H 1 2.93 0.03 . . . . . . . . . . 6612 1 824 . 1 1 84 84 ASP HB3 H 1 2.68 0.03 . . . . . . . . . . 6612 1 825 . 1 1 84 84 ASP CA C 13 54.36 0.3 . . . . . . . . . . 6612 1 826 . 1 1 84 84 ASP CB C 13 37.13 0.3 . . . . . . . . . . 6612 1 827 . 1 1 84 84 ASP N N 15 124.8 0.3 . . . . . . . . . . 6612 1 828 . 1 1 85 85 LEU H H 1 8.15 0.03 . . . . . . . . . . 6612 1 829 . 1 1 85 85 LEU HA H 1 4.08 0.03 . . . . . . . . . . 6612 1 830 . 1 1 85 85 LEU HB2 H 1 1.58 0.03 . . . . . . . . . . 6612 1 831 . 1 1 85 85 LEU HB3 H 1 1.40 0.03 . . . . . . . . . . 6612 1 832 . 1 1 85 85 LEU HG H 1 1.63 0.03 . . . . . . . . . . 6612 1 833 . 1 1 85 85 LEU HD11 H 1 0.63 0.03 . . . . . . . . . . 6612 1 834 . 1 1 85 85 LEU HD12 H 1 0.63 0.03 . . . . . . . . . . 6612 1 835 . 1 1 85 85 LEU HD13 H 1 0.63 0.03 . . . . . . . . . . 6612 1 836 . 1 1 85 85 LEU HD21 H 1 0.59 0.03 . . . . . . . . . . 6612 1 837 . 1 1 85 85 LEU HD22 H 1 0.59 0.03 . . . . . . . . . . 6612 1 838 . 1 1 85 85 LEU HD23 H 1 0.59 0.03 . . . . . . . . . . 6612 1 839 . 1 1 85 85 LEU CA C 13 54.3 0.3 . . . . . . . . . . 6612 1 840 . 1 1 85 85 LEU CB C 13 38.8 0.3 . . . . . . . . . . 6612 1 841 . 1 1 85 85 LEU CG C 13 23.8 0.3 . . . . . . . . . . 6612 1 842 . 1 1 85 85 LEU CD1 C 13 21.8 0.3 . . . . . . . . . . 6612 1 843 . 1 1 85 85 LEU CD2 C 13 23.16 0.3 . . . . . . . . . . 6612 1 844 . 1 1 85 85 LEU N N 15 120.9 0.3 . . . . . . . . . . 6612 1 845 . 1 1 86 86 PHE H H 1 8.52 0.03 . . . . . . . . . . 6612 1 846 . 1 1 86 86 PHE HA H 1 4.12 0.03 . . . . . . . . . . 6612 1 847 . 1 1 86 86 PHE HB2 H 1 3.18 0.03 . . . . . . . . . . 6612 1 848 . 1 1 86 86 PHE HD1 H 1 7.04 0.03 . . . . . . . . . . 6612 1 849 . 1 1 86 86 PHE HE1 H 1 6.52 0.03 . . . . . . . . . . 6612 1 850 . 1 1 86 86 PHE HZ H 1 6.66 0.03 . . . . . . . . . . 6612 1 851 . 1 1 86 86 PHE CB C 13 36.4 0.3 . . . . . . . . . . 6612 1 852 . 1 1 86 86 PHE CD1 C 13 129.1 0.3 . . . . . . . . . . 6612 1 853 . 1 1 86 86 PHE CE1 C 13 127.09 0.3 . . . . . . . . . . 6612 1 854 . 1 1 86 86 PHE CZ C 13 124.8 0.3 . . . . . . . . . . 6612 1 855 . 1 1 86 86 PHE N N 15 119.0 0.3 . . . . . . . . . . 6612 1 856 . 1 1 87 87 GLY H H 1 8.35 0.03 . . . . . . . . . . 6612 1 857 . 1 1 87 87 GLY HA2 H 1 4.03 0.03 . . . . . . . . . . 6612 1 858 . 1 1 87 87 GLY HA3 H 1 4.01 0.03 . . . . . . . . . . 6612 1 859 . 1 1 87 87 GLY CA C 13 43.9 0.3 . . . . . . . . . . 6612 1 860 . 1 1 87 87 GLY N N 15 129.7 0.3 . . . . . . . . . . 6612 1 861 . 1 1 88 88 VAL H H 1 7.13 0.03 . . . . . . . . . . 6612 1 862 . 1 1 88 88 VAL HA H 1 5.05 0.03 . . . . . . . . . . 6612 1 863 . 1 1 88 88 VAL HB H 1 2.45 0.03 . . . . . . . . . . 6612 1 864 . 1 1 88 88 VAL HG11 H 1 1.07 0.03 . . . . . . . . . . 6612 1 865 . 1 1 88 88 VAL HG12 H 1 1.07 0.03 . . . . . . . . . . 6612 1 866 . 1 1 88 88 VAL HG13 H 1 1.07 0.03 . . . . . . . . . . 6612 1 867 . 1 1 88 88 VAL HG21 H 1 0.81 0.03 . . . . . . . . . . 6612 1 868 . 1 1 88 88 VAL HG22 H 1 0.81 0.03 . . . . . . . . . . 6612 1 869 . 1 1 88 88 VAL HG23 H 1 0.81 0.03 . . . . . . . . . . 6612 1 870 . 1 1 88 88 VAL CA C 13 54.36 0.3 . . . . . . . . . . 6612 1 871 . 1 1 88 88 VAL CB C 13 31.9 0.3 . . . . . . . . . . 6612 1 872 . 1 1 88 88 VAL CG1 C 13 20.24 0.3 . . . . . . . . . . 6612 1 873 . 1 1 88 88 VAL CG2 C 13 16.04 0.3 . . . . . . . . . . 6612 1 874 . 1 1 88 88 VAL N N 15 129.7 0.3 . . . . . . . . . . 6612 1 875 . 1 1 89 89 PRO HA H 1 4.50 0.03 . . . . . . . . . . 6612 1 876 . 1 1 89 89 PRO HB2 H 1 2.1 0.03 . . . . . . . . . . 6612 1 877 . 1 1 89 89 PRO HB3 H 1 2.06 0.03 . . . . . . . . . . 6612 1 878 . 1 1 89 89 PRO HG2 H 1 2.20 0.03 . . . . . . . . . . 6612 1 879 . 1 1 89 89 PRO HG3 H 1 2.20 0.03 . . . . . . . . . . 6612 1 880 . 1 1 89 89 PRO HD2 H 1 4.05 0.03 . . . . . . . . . . 6612 1 881 . 1 1 89 89 PRO HD3 H 1 3.85 0.03 . . . . . . . . . . 6612 1 882 . 1 1 89 89 PRO CA C 13 60.54 0.3 . . . . . . . . . . 6612 1 883 . 1 1 89 89 PRO CB C 13 29.6 0.3 . . . . . . . . . . 6612 1 884 . 1 1 89 89 PRO CG C 13 24.1 0.3 . . . . . . . . . . 6612 1 885 . 1 1 89 89 PRO CD C 13 47.5 0.3 . . . . . . . . . . 6612 1 886 . 1 1 90 90 SER H H 1 7.26 0.03 . . . . . . . . . . 6612 1 887 . 1 1 90 90 SER HA H 1 5.52 0.03 . . . . . . . . . . 6612 1 888 . 1 1 90 90 SER HB2 H 1 3.97 0.03 . . . . . . . . . . 6612 1 889 . 1 1 90 90 SER HB3 H 1 3.67 0.03 . . . . . . . . . . 6612 1 890 . 1 1 90 90 SER CA C 13 54.36 0.3 . . . . . . . . . . 6612 1 891 . 1 1 90 90 SER CB C 13 62.1 0.3 . . . . . . . . . . 6612 1 892 . 1 1 90 90 SER N N 15 113.2 0.3 . . . . . . . . . . 6612 1 893 . 1 1 91 91 PHE H H 1 8.24 0.03 . . . . . . . . . . 6612 1 894 . 1 1 91 91 PHE HA H 1 4.84 0.03 . . . . . . . . . . 6612 1 895 . 1 1 91 91 PHE HB2 H 1 3.26 0.03 . . . . . . . . . . 6612 1 896 . 1 1 91 91 PHE HB3 H 1 3.10 0.03 . . . . . . . . . . 6612 1 897 . 1 1 91 91 PHE HD1 H 1 6.91 0.03 . . . . . . . . . . 6612 1 898 . 1 1 91 91 PHE HE1 H 1 7.04 0.03 . . . . . . . . . . 6612 1 899 . 1 1 91 91 PHE HZ H 1 7.04 0.03 . . . . . . . . . . 6612 1 900 . 1 1 91 91 PHE CA C 13 54.36 0.3 . . . . . . . . . . 6612 1 901 . 1 1 91 91 PHE CB C 13 36.8 0.3 . . . . . . . . . . 6612 1 902 . 1 1 91 91 PHE CD1 C 13 129.7 0.3 . . . . . . . . . . 6612 1 903 . 1 1 91 91 PHE CE1 C 13 127.1 0.3 . . . . . . . . . . 6612 1 904 . 1 1 91 91 PHE N N 15 116.5 0.3 . . . . . . . . . . 6612 1 905 . 1 1 92 92 SER H H 1 8.79 0.03 . . . . . . . . . . 6612 1 906 . 1 1 92 92 SER HA H 1 5.62 0.03 . . . . . . . . . . 6612 1 907 . 1 1 92 92 SER HB2 H 1 3.95 0.03 . . . . . . . . . . 6612 1 908 . 1 1 92 92 SER HB3 H 1 3.82 0.03 . . . . . . . . . . 6612 1 909 . 1 1 92 92 SER CA C 13 51.4 0.3 . . . . . . . . . . 6612 1 910 . 1 1 92 92 SER CB C 13 61.51 0.3 . . . . . . . . . . 6612 1 911 . 1 1 92 92 SER N N 15 114.4 0.3 . . . . . . . . . . 6612 1 912 . 1 1 93 93 VAL H H 1 9.52 0.03 . . . . . . . . . . 6612 1 913 . 1 1 93 93 VAL HA H 1 4.31 0.03 . . . . . . . . . . 6612 1 914 . 1 1 93 93 VAL HB H 1 2.50 0.03 . . . . . . . . . . 6612 1 915 . 1 1 93 93 VAL HG11 H 1 1.15 0.03 . . . . . . . . . . 6612 1 916 . 1 1 93 93 VAL HG12 H 1 1.15 0.03 . . . . . . . . . . 6612 1 917 . 1 1 93 93 VAL HG13 H 1 1.15 0.03 . . . . . . . . . . 6612 1 918 . 1 1 93 93 VAL HG21 H 1 1.11 0.03 . . . . . . . . . . 6612 1 919 . 1 1 93 93 VAL HG22 H 1 1.11 0.03 . . . . . . . . . . 6612 1 920 . 1 1 93 93 VAL HG23 H 1 1.11 0.03 . . . . . . . . . . 6612 1 921 . 1 1 93 93 VAL CA C 13 61.19 0.3 . . . . . . . . . . 6612 1 922 . 1 1 93 93 VAL CB C 13 28.3 0.3 . . . . . . . . . . 6612 1 923 . 1 1 93 93 VAL CG1 C 13 16.9 0.3 . . . . . . . . . . 6612 1 924 . 1 1 93 93 VAL CG2 C 13 19.26 0.3 . . . . . . . . . . 6612 1 925 . 1 1 93 93 VAL N N 15 125.18 0.3 . . . . . . . . . . 6612 1 926 . 1 1 94 94 LYS H H 1 8.04 0.03 . . . . . . . . . . 6612 1 927 . 1 1 94 94 LYS HA H 1 4.20 0.03 . . . . . . . . . . 6612 1 928 . 1 1 94 94 LYS HB2 H 1 1.93 0.03 . . . . . . . . . . 6612 1 929 . 1 1 94 94 LYS HB3 H 1 1.55 0.03 . . . . . . . . . . 6612 1 930 . 1 1 94 94 LYS HG2 H 1 1.33 0.03 . . . . . . . . . . 6612 1 931 . 1 1 94 94 LYS HG3 H 1 1.29 0.03 . . . . . . . . . . 6612 1 932 . 1 1 94 94 LYS HD2 H 1 1.47 0.03 . . . . . . . . . . 6612 1 933 . 1 1 94 94 LYS HD3 H 1 1.35 0.03 . . . . . . . . . . 6612 1 934 . 1 1 94 94 LYS HE2 H 1 2.56 0.03 . . . . . . . . . . 6612 1 935 . 1 1 94 94 LYS HE3 H 1 2.50 0.03 . . . . . . . . . . 6612 1 936 . 1 1 94 94 LYS CA C 13 54.04 0.3 . . . . . . . . . . 6612 1 937 . 1 1 94 94 LYS CB C 13 29.6 0.3 . . . . . . . . . . 6612 1 938 . 1 1 94 94 LYS CG C 13 22.2 0.3 . . . . . . . . . . 6612 1 939 . 1 1 94 94 LYS CD C 13 26.1 0.3 . . . . . . . . . . 6612 1 940 . 1 1 94 94 LYS CE C 13 39.08 0.3 . . . . . . . . . . 6612 1 941 . 1 1 94 94 LYS N N 15 118.3 0.3 . . . . . . . . . . 6612 1 942 . 1 1 95 95 GLU H H 1 7.40 0.03 . . . . . . . . . . 6612 1 943 . 1 1 95 95 GLU HA H 1 4.56 0.03 . . . . . . . . . . 6612 1 944 . 1 1 95 95 GLU HB2 H 1 2.36 0.03 . . . . . . . . . . 6612 1 945 . 1 1 95 95 GLU HG2 H 1 2.37 0.03 . . . . . . . . . . 6612 1 946 . 1 1 95 95 GLU HG3 H 1 2.18 0.03 . . . . . . . . . . 6612 1 947 . 1 1 95 95 GLU CA C 13 53.06 0.3 . . . . . . . . . . 6612 1 948 . 1 1 95 95 GLU CB C 13 31.6 0.3 . . . . . . . . . . 6612 1 949 . 1 1 95 95 GLU CG C 13 33.5 0.3 . . . . . . . . . . 6612 1 950 . 1 1 95 95 GLU N N 15 121.8 0.3 . . . . . . . . . . 6612 1 951 . 1 1 96 96 HIS H H 1 7.60 0.03 . . . . . . . . . . 6612 1 952 . 1 1 96 96 HIS HA H 1 4.16 0.03 . . . . . . . . . . 6612 1 953 . 1 1 96 96 HIS HB2 H 1 2.98 0.03 . . . . . . . . . . 6612 1 954 . 1 1 96 96 HIS HB3 H 1 2.98 0.03 . . . . . . . . . . 6612 1 955 . 1 1 96 96 HIS HD1 H 1 7.05 0.03 . . . . . . . . . . 6612 1 956 . 1 1 96 96 HIS CA C 13 57.6 0.3 . . . . . . . . . . 6612 1 957 . 1 1 96 96 HIS CB C 13 29.01 0.3 . . . . . . . . . . 6612 1 958 . 1 1 96 96 HIS N N 15 122.4 0.3 . . . . . . . . . . 6612 1 959 . 1 1 97 97 ARG H H 1 8.91 0.03 . . . . . . . . . . 6612 1 960 . 1 1 97 97 ARG HA H 1 3.97 0.03 . . . . . . . . . . 6612 1 961 . 1 1 97 97 ARG HB2 H 1 1.90 0.03 . . . . . . . . . . 6612 1 962 . 1 1 97 97 ARG HD2 H 1 3.30 0.03 . . . . . . . . . . 6612 1 963 . 1 1 97 97 ARG HD3 H 1 3.16 0.03 . . . . . . . . . . 6612 1 964 . 1 1 97 97 ARG CA C 13 55.9 0.3 . . . . . . . . . . 6612 1 965 . 1 1 97 97 ARG CB C 13 29.3 0.3 . . . . . . . . . . 6612 1 966 . 1 1 97 97 ARG CD C 13 39.4 0.3 . . . . . . . . . . 6612 1 967 . 1 1 97 97 ARG N N 15 120.4 0.3 . . . . . . . . . . 6612 1 968 . 1 1 98 98 LYS H H 1 7.79 0.03 . . . . . . . . . . 6612 1 969 . 1 1 98 98 LYS HA H 1 4.06 0.03 . . . . . . . . . . 6612 1 970 . 1 1 98 98 LYS HB2 H 1 2.02 0.03 . . . . . . . . . . 6612 1 971 . 1 1 98 98 LYS HB3 H 1 1.93 0.03 . . . . . . . . . . 6612 1 972 . 1 1 98 98 LYS HG2 H 1 1.57 0.03 . . . . . . . . . . 6612 1 973 . 1 1 98 98 LYS HG3 H 1 1.41 0.03 . . . . . . . . . . 6612 1 974 . 1 1 98 98 LYS HD2 H 1 1.76 0.03 . . . . . . . . . . 6612 1 975 . 1 1 98 98 LYS HD3 H 1 1.76 0.03 . . . . . . . . . . 6612 1 976 . 1 1 98 98 LYS HE2 H 1 3.02 0.03 . . . . . . . . . . 6612 1 977 . 1 1 98 98 LYS HE3 H 1 2.99 0.03 . . . . . . . . . . 6612 1 978 . 1 1 98 98 LYS CA C 13 56.9 0.3 . . . . . . . . . . 6612 1 979 . 1 1 98 98 LYS CB C 13 29.98 0.3 . . . . . . . . . . 6612 1 980 . 1 1 98 98 LYS CG C 13 22.5 0.3 . . . . . . . . . . 6612 1 981 . 1 1 98 98 LYS CD C 13 27.06 0.3 . . . . . . . . . . 6612 1 982 . 1 1 98 98 LYS CE C 13 39.40 0.3 . . . . . . . . . . 6612 1 983 . 1 1 98 98 LYS N N 15 122.6 0.3 . . . . . . . . . . 6612 1 984 . 1 1 99 99 ILE H H 1 7.97 0.03 . . . . . . . . . . 6612 1 985 . 1 1 99 99 ILE HA H 1 3.21 0.03 . . . . . . . . . . 6612 1 986 . 1 1 99 99 ILE HB H 1 1.93 0.03 . . . . . . . . . . 6612 1 987 . 1 1 99 99 ILE HG12 H 1 1.71 0.03 . . . . . . . . . . 6612 1 988 . 1 1 99 99 ILE HG13 H 1 1.71 0.03 . . . . . . . . . . 6612 1 989 . 1 1 99 99 ILE HG21 H 1 0.73 0.03 . . . . . . . . . . 6612 1 990 . 1 1 99 99 ILE HG22 H 1 0.73 0.03 . . . . . . . . . . 6612 1 991 . 1 1 99 99 ILE HG23 H 1 0.73 0.03 . . . . . . . . . . 6612 1 992 . 1 1 99 99 ILE HD11 H 1 0.97 0.03 . . . . . . . . . . 6612 1 993 . 1 1 99 99 ILE HD12 H 1 0.97 0.03 . . . . . . . . . . 6612 1 994 . 1 1 99 99 ILE HD13 H 1 0.97 0.03 . . . . . . . . . . 6612 1 995 . 1 1 99 99 ILE CA C 13 62.2 0.3 . . . . . . . . . . 6612 1 996 . 1 1 99 99 ILE CB C 13 34.8 0.3 . . . . . . . . . . 6612 1 997 . 1 1 99 99 ILE CG1 C 13 26.4 0.3 . . . . . . . . . . 6612 1 998 . 1 1 99 99 ILE CG2 C 13 15.4 0.3 . . . . . . . . . . 6612 1 999 . 1 1 99 99 ILE CD1 C 13 11.4 0.3 . . . . . . . . . . 6612 1 1000 . 1 1 99 99 ILE N N 15 120.8 0.3 . . . . . . . . . . 6612 1 1001 . 1 1 100 100 TYR H H 1 8.68 0.03 . . . . . . . . . . 6612 1 1002 . 1 1 100 100 TYR HA H 1 3.58 0.03 . . . . . . . . . . 6612 1 1003 . 1 1 100 100 TYR HB2 H 1 3.22 0.03 . . . . . . . . . . 6612 1 1004 . 1 1 100 100 TYR HB3 H 1 2.84 0.03 . . . . . . . . . . 6612 1 1005 . 1 1 100 100 TYR HD1 H 1 7.05 0.03 . . . . . . . . . . 6612 1 1006 . 1 1 100 100 TYR HE1 H 1 6.53 0.03 . . . . . . . . . . 6612 1 1007 . 1 1 100 100 TYR CA C 13 60.19 0.3 . . . . . . . . . . 6612 1 1008 . 1 1 100 100 TYR CB C 13 34.5 0.3 . . . . . . . . . . 6612 1 1009 . 1 1 100 100 TYR CD1 C 13 129.3 0.3 . . . . . . . . . . 6612 1 1010 . 1 1 100 100 TYR CE1 C 13 115.7 0.3 . . . . . . . . . . 6612 1 1011 . 1 1 100 100 TYR N N 15 123.4 0.3 . . . . . . . . . . 6612 1 1012 . 1 1 101 101 THR H H 1 8.21 0.03 . . . . . . . . . . 6612 1 1013 . 1 1 101 101 THR HA H 1 3.92 0.03 . . . . . . . . . . 6612 1 1014 . 1 1 101 101 THR HB H 1 4.33 0.03 . . . . . . . . . . 6612 1 1015 . 1 1 101 101 THR HG21 H 1 1.24 0.03 . . . . . . . . . . 6612 1 1016 . 1 1 101 101 THR HG22 H 1 1.24 0.03 . . . . . . . . . . 6612 1 1017 . 1 1 101 101 THR HG23 H 1 1.24 0.03 . . . . . . . . . . 6612 1 1018 . 1 1 101 101 THR CA C 13 64.1 0.3 . . . . . . . . . . 6612 1 1019 . 1 1 101 101 THR CB C 13 65.7 0.3 . . . . . . . . . . 6612 1 1020 . 1 1 101 101 THR CG2 C 13 18.6 0.3 . . . . . . . . . . 6612 1 1021 . 1 1 101 101 THR N N 15 115.9 0.3 . . . . . . . . . . 6612 1 1022 . 1 1 102 102 MET H H 1 7.63 0.03 . . . . . . . . . . 6612 1 1023 . 1 1 102 102 MET HG2 H 1 2.63 0.03 . . . . . . . . . . 6612 1 1024 . 1 1 102 102 MET HG3 H 1 2.12 0.03 . . . . . . . . . . 6612 1 1025 . 1 1 102 102 MET HE1 H 1 1.23 0.03 . . . . . . . . . . 6612 1 1026 . 1 1 102 102 MET HE2 H 1 1.23 0.03 . . . . . . . . . . 6612 1 1027 . 1 1 102 102 MET HE3 H 1 1.23 0.03 . . . . . . . . . . 6612 1 1028 . 1 1 102 102 MET CG C 13 28.7 0.3 . . . . . . . . . . 6612 1 1029 . 1 1 102 102 MET CE C 13 12.8 0.3 . . . . . . . . . . 6612 1 1030 . 1 1 102 102 MET N N 15 121.8 0.3 . . . . . . . . . . 6612 1 1031 . 1 1 103 103 ILE H H 1 8.27 0.03 . . . . . . . . . . 6612 1 1032 . 1 1 103 103 ILE HA H 1 3.41 0.03 . . . . . . . . . . 6612 1 1033 . 1 1 103 103 ILE HB H 1 1.70 0.03 . . . . . . . . . . 6612 1 1034 . 1 1 103 103 ILE HG12 H 1 0.71 0.03 . . . . . . . . . . 6612 1 1035 . 1 1 103 103 ILE HG13 H 1 0.71 0.03 . . . . . . . . . . 6612 1 1036 . 1 1 103 103 ILE HG21 H 1 0.60 0.03 . . . . . . . . . . 6612 1 1037 . 1 1 103 103 ILE HG22 H 1 0.60 0.03 . . . . . . . . . . 6612 1 1038 . 1 1 103 103 ILE HG23 H 1 0.60 0.03 . . . . . . . . . . 6612 1 1039 . 1 1 103 103 ILE HD11 H 1 0.58 0.03 . . . . . . . . . . 6612 1 1040 . 1 1 103 103 ILE HD12 H 1 0.58 0.03 . . . . . . . . . . 6612 1 1041 . 1 1 103 103 ILE HD13 H 1 0.58 0.03 . . . . . . . . . . 6612 1 1042 . 1 1 103 103 ILE CA C 13 62.8 0.3 . . . . . . . . . . 6612 1 1043 . 1 1 103 103 ILE CB C 13 34.5 0.3 . . . . . . . . . . 6612 1 1044 . 1 1 103 103 ILE CG1 C 13 26.4 0.3 . . . . . . . . . . 6612 1 1045 . 1 1 103 103 ILE CG2 C 13 15.4 0.3 . . . . . . . . . . 6612 1 1046 . 1 1 103 103 ILE CD1 C 13 11.5 0.3 . . . . . . . . . . 6612 1 1047 . 1 1 103 103 ILE N N 15 122.3 0.3 . . . . . . . . . . 6612 1 1048 . 1 1 104 104 TYR H H 1 8.93 0.03 . . . . . . . . . . 6612 1 1049 . 1 1 104 104 TYR HA H 1 4.11 0.03 . . . . . . . . . . 6612 1 1050 . 1 1 104 104 TYR HB2 H 1 3.08 0.03 . . . . . . . . . . 6612 1 1051 . 1 1 104 104 TYR HB3 H 1 3.08 0.03 . . . . . . . . . . 6612 1 1052 . 1 1 104 104 TYR HD1 H 1 7.08 0.03 . . . . . . . . . . 6612 1 1053 . 1 1 104 104 TYR HE1 H 1 6.77 0.03 . . . . . . . . . . 6612 1 1054 . 1 1 104 104 TYR CA C 13 58.2 0.3 . . . . . . . . . . 6612 1 1055 . 1 1 104 104 TYR CB C 13 35.1 0.3 . . . . . . . . . . 6612 1 1056 . 1 1 104 104 TYR CD1 C 13 130.02 0.3 . . . . . . . . . . 6612 1 1057 . 1 1 104 104 TYR CE1 C 13 115.4 0.3 . . . . . . . . . . 6612 1 1058 . 1 1 104 104 TYR N N 15 121.7 0.3 . . . . . . . . . . 6612 1 1059 . 1 1 105 105 ARG H H 1 8.48 0.03 . . . . . . . . . . 6612 1 1060 . 1 1 107 107 LEU H H 1 8.50 0.03 . . . . . . . . . . 6612 1 1061 . 1 1 107 107 LEU HA H 1 4.24 0.03 . . . . . . . . . . 6612 1 1062 . 1 1 107 107 LEU HB2 H 1 1.74 0.03 . . . . . . . . . . 6612 1 1063 . 1 1 107 107 LEU HB3 H 1 1.55 0.03 . . . . . . . . . . 6612 1 1064 . 1 1 107 107 LEU HD11 H 1 0.96 0.03 . . . . . . . . . . 6612 1 1065 . 1 1 107 107 LEU HD12 H 1 0.96 0.03 . . . . . . . . . . 6612 1 1066 . 1 1 107 107 LEU HD13 H 1 0.96 0.03 . . . . . . . . . . 6612 1 1067 . 1 1 107 107 LEU HD21 H 1 0.88 0.03 . . . . . . . . . . 6612 1 1068 . 1 1 107 107 LEU HD22 H 1 0.88 0.03 . . . . . . . . . . 6612 1 1069 . 1 1 107 107 LEU HD23 H 1 0.88 0.03 . . . . . . . . . . 6612 1 1070 . 1 1 107 107 LEU CB C 13 39.08 0.3 . . . . . . . . . . 6612 1 1071 . 1 1 107 107 LEU CD1 C 13 21.8 0.3 . . . . . . . . . . 6612 1 1072 . 1 1 107 107 LEU CD2 C 13 21.2 0.3 . . . . . . . . . . 6612 1 1073 . 1 1 107 107 LEU N N 15 130.7 0.3 . . . . . . . . . . 6612 1 1074 . 1 1 108 108 VAL H H 1 8.77 0.03 . . . . . . . . . . 6612 1 1075 . 1 1 108 108 VAL HA H 1 4.23 0.03 . . . . . . . . . . 6612 1 1076 . 1 1 108 108 VAL HB H 1 2.13 0.03 . . . . . . . . . . 6612 1 1077 . 1 1 108 108 VAL HG11 H 1 0.99 0.03 . . . . . . . . . . 6612 1 1078 . 1 1 108 108 VAL HG12 H 1 0.99 0.03 . . . . . . . . . . 6612 1 1079 . 1 1 108 108 VAL HG13 H 1 0.99 0.03 . . . . . . . . . . 6612 1 1080 . 1 1 108 108 VAL HG21 H 1 0.96 0.03 . . . . . . . . . . 6612 1 1081 . 1 1 108 108 VAL HG22 H 1 0.96 0.03 . . . . . . . . . . 6612 1 1082 . 1 1 108 108 VAL HG23 H 1 0.96 0.03 . . . . . . . . . . 6612 1 1083 . 1 1 108 108 VAL CA C 13 59.89 0.3 . . . . . . . . . . 6612 1 1084 . 1 1 108 108 VAL CB C 13 29.66 0.3 . . . . . . . . . . 6612 1 1085 . 1 1 108 108 VAL CG1 C 13 18.94 0.3 . . . . . . . . . . 6612 1 1086 . 1 1 108 108 VAL CG2 C 13 22.18 0.3 . . . . . . . . . . 6612 1 1087 . 1 1 108 108 VAL N N 15 129.7 0.3 . . . . . . . . . . 6612 1 1088 . 1 1 109 109 VAL H H 1 8.80 0.03 . . . . . . . . . . 6612 1 1089 . 1 1 109 109 VAL HA H 1 4.15 0.03 . . . . . . . . . . 6612 1 1090 . 1 1 109 109 VAL HB H 1 2.07 0.03 . . . . . . . . . . 6612 1 1091 . 1 1 109 109 VAL HG11 H 1 0.96 0.03 . . . . . . . . . . 6612 1 1092 . 1 1 109 109 VAL HG12 H 1 0.96 0.03 . . . . . . . . . . 6612 1 1093 . 1 1 109 109 VAL HG13 H 1 0.96 0.03 . . . . . . . . . . 6612 1 1094 . 1 1 109 109 VAL HG21 H 1 0.87 0.03 . . . . . . . . . . 6612 1 1095 . 1 1 109 109 VAL HG22 H 1 0.87 0.03 . . . . . . . . . . 6612 1 1096 . 1 1 109 109 VAL HG23 H 1 0.87 0.03 . . . . . . . . . . 6612 1 1097 . 1 1 109 109 VAL CA C 13 59.89 0.3 . . . . . . . . . . 6612 1 1098 . 1 1 109 109 VAL CB C 13 29.66 0.3 . . . . . . . . . . 6612 1 1099 . 1 1 109 109 VAL CG1 C 13 18.29 0.3 . . . . . . . . . . 6612 1 1100 . 1 1 109 109 VAL CG2 C 13 20.24 0.3 . . . . . . . . . . 6612 1 1101 . 1 1 109 109 VAL N N 15 129.7 0.3 . . . . . . . . . . 6612 1 1102 . 1 1 110 110 VAL H H 1 8.45 0.03 . . . . . . . . . . 6612 1 1103 . 1 1 110 110 VAL HA H 1 4.15 0.03 . . . . . . . . . . 6612 1 1104 . 1 1 110 110 VAL HB H 1 2.03 0.03 . . . . . . . . . . 6612 1 1105 . 1 1 110 110 VAL HG11 H 1 0.98 0.03 . . . . . . . . . . 6612 1 1106 . 1 1 110 110 VAL HG12 H 1 0.98 0.03 . . . . . . . . . . 6612 1 1107 . 1 1 110 110 VAL HG13 H 1 0.98 0.03 . . . . . . . . . . 6612 1 1108 . 1 1 110 110 VAL HG21 H 1 0.95 0.03 . . . . . . . . . . 6612 1 1109 . 1 1 110 110 VAL HG22 H 1 0.95 0.03 . . . . . . . . . . 6612 1 1110 . 1 1 110 110 VAL HG23 H 1 0.95 0.03 . . . . . . . . . . 6612 1 1111 . 1 1 110 110 VAL CA C 13 60.2 0.3 . . . . . . . . . . 6612 1 1112 . 1 1 110 110 VAL CB C 13 29.7 0.3 . . . . . . . . . . 6612 1 1113 . 1 1 110 110 VAL CG1 C 13 18.6 0.3 . . . . . . . . . . 6612 1 1114 . 1 1 110 110 VAL CG2 C 13 18.94 0.3 . . . . . . . . . . 6612 1 1115 . 1 1 110 110 VAL N N 15 128.9 0.3 . . . . . . . . . . 6612 1 1116 . 1 1 111 111 ASN HA H 1 4.78 0.03 . . . . . . . . . . 6612 1 1117 . 1 1 111 111 ASN HB2 H 1 2.92 0.03 . . . . . . . . . . 6612 1 1118 . 1 1 111 111 ASN HB3 H 1 2.82 0.03 . . . . . . . . . . 6612 1 1119 . 1 1 111 111 ASN CA C 13 50.79 0.3 . . . . . . . . . . 6612 1 1120 . 1 1 111 111 ASN CB C 13 36.45 0.3 . . . . . . . . . . 6612 1 1121 . 1 1 111 111 ASN N N 15 124.5 0.3 . . . . . . . . . . 6612 1 1122 . 1 1 115 115 SER H H 1 8.48 0.03 . . . . . . . . . . 6612 1 1123 . 1 1 115 115 SER HA H 1 4.50 0.03 . . . . . . . . . . 6612 1 1124 . 1 1 115 115 SER HB2 H 1 3.92 0.03 . . . . . . . . . . 6612 1 1125 . 1 1 115 115 SER HB3 H 1 3.92 0.03 . . . . . . . . . . 6612 1 1126 . 1 1 115 115 SER CA C 13 55.9 0.3 . . . . . . . . . . 6612 1 1127 . 1 1 115 115 SER CB C 13 60.8 0.3 . . . . . . . . . . 6612 1 1128 . 1 1 115 115 SER N N 15 119.0 0.3 . . . . . . . . . . 6612 1 1129 . 1 1 117 117 ASP H H 1 8.45 0.03 . . . . . . . . . . 6612 1 1130 . 1 1 117 117 ASP HA H 1 4.65 0.03 . . . . . . . . . . 6612 1 1131 . 1 1 117 117 ASP HB2 H 1 2.75 0.03 . . . . . . . . . . 6612 1 1132 . 1 1 117 117 ASP HB3 H 1 2.75 0.03 . . . . . . . . . . 6612 1 1133 . 1 1 117 117 ASP CA C 13 52.09 0.3 . . . . . . . . . . 6612 1 1134 . 1 1 117 117 ASP CB C 13 39.08 0.3 . . . . . . . . . . 6612 1 1135 . 1 1 117 117 ASP N N 15 124.3 0.3 . . . . . . . . . . 6612 1 1136 . 1 1 118 118 SER H H 1 7.93 0.03 . . . . . . . . . . 6612 1 1137 . 1 1 118 118 SER HA H 1 4.31 0.03 . . . . . . . . . . 6612 1 1138 . 1 1 118 118 SER HB2 H 1 3.92 0.03 . . . . . . . . . . 6612 1 1139 . 1 1 118 118 SER HB3 H 1 3.92 0.03 . . . . . . . . . . 6612 1 1140 . 1 1 118 118 SER CA C 13 57.61 0.3 . . . . . . . . . . 6612 1 1141 . 1 1 118 118 SER CB C 13 62.16 0.3 . . . . . . . . . . 6612 1 1142 . 1 1 118 118 SER N N 15 123.04 0.3 . . . . . . . . . . 6612 1 stop_ save_