data_17911 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17911 _Entry.Title ; C-terminal domain of SARS-CoV main protease ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-02 _Entry.Accession_date 2011-09-02 _Entry.Last_release_date 2012-09-04 _Entry.Original_release_date 2012-09-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Bin Xia . . . 17911 2 Xue Kang . . . 17911 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17911 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 17911 '15N chemical shifts' 130 17911 '1H chemical shifts' 795 17911 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-09-04 2011-09-02 original author . 17911 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LIZ 'BMRB Entry Tracking System' 17911 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17911 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR solution structure of C-terminal domain of SARS-CoV main protease in 2.5M urea' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Bin Xia . . . 17911 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17911 _Assembly.ID 1 _Assembly.Name Mpro-C _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Mpro-C 1 $Mpro-C A . yes native no no . . . 17911 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mpro-C _Entity.Sf_category entity _Entity.Sf_framecode Mpro-C _Entity.Entry_ID 17911 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Mpro-C _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 ; DRQTAQAAGTDTTITLNVLA WLYAAVINGDRWFLNRFTTT LNDFNLVAMKYNYEPLTQDH VDILGPLSAQTGIAVLDMCA ALKELLQNGMNGRTILGSTI LEDEFTPFDVVRQCSGVTFQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1Q2W . "X-Ray Crystal Structure Of The Sars Coronavirus Main Protease" . . . . . 98.33 308 100.00 100.00 1.34e-77 . . . . 17911 1 2 no PDB 1UJ1 . "Crystal Structure Of Sars Coronavirus Main Proteinase (3clpro)" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 3 no PDB 1UK2 . "Crystal Structure Of Sars Coronavirus Main Proteinase (3clpro) At Ph8.0" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 4 no PDB 1UK3 . "Crystal Structure Of Sars Coronavirus Main Proteinase (3clpro) At Ph7.6" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 5 no PDB 1UK4 . "Crystal Structure Of Sars Coronavirus Main Proteinase (3clpro) Complexed With An Inhibitor" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 6 no PDB 1WOF . "Crystal Structure Of Sars-Cov Mpro In Complex With An Inhibitor N1" . . . . . 100.00 311 100.00 100.00 3.32e-79 . . . . 17911 1 7 no PDB 1Z1I . "Crystal Structure Of Native Sars Clpro" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 8 no PDB 1Z1J . "Crystal Structure Of Sars 3clpro C145a Mutant" . . . . . 100.00 306 100.00 100.00 2.89e-79 . . . . 17911 1 9 no PDB 2A5A . "Crystal Structure Of Unbound Sars Coronavirus Main Peptidase In The Space Group C2" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 10 no PDB 2A5I . "Crystal Structures Of Sars Coronavirus Main Peptidase Inhibited By An Aza-Peptide Epoxide In The Space Group C2" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 11 no PDB 2A5K . "Crystal Structures Of Sars Coronavirus Main Peptidase Inhibited By An Aza-Peptide Epoxide In Space Group P212121" . . . . . 100.00 307 100.00 100.00 3.15e-79 . . . . 17911 1 12 no PDB 2ALV . "X-Ray Structural Analysis Of Sars Coronavirus 3cl Proteinase In Complex With Designed Anti-Viral Inhibitors" . . . . . 97.50 306 100.00 100.00 7.13e-77 . . . . 17911 1 13 no PDB 2AMD . "Crystal Structure Of Sars_cov Mpro In Complex With An Inhibitor N9" . . . . . 100.00 311 100.00 100.00 3.32e-79 . . . . 17911 1 14 no PDB 2AMQ . "Crystal Structure Of Sars_cov Mpro In Complex With An Inhibitor N3" . . . . . 100.00 311 100.00 100.00 3.32e-79 . . . . 17911 1 15 no PDB 2BX3 . "Crystal Structure Of Sars Coronavirus Main Proteinase (P43212)" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 16 no PDB 2BX4 . "Crystal Structure Of Sars Coronavirus Main Proteinase (P21212)" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 17 no PDB 2C3S . "Structure Of Sars Cov Main Proteinase At 1.9 A (Ph6.5)" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 18 no PDB 2D2D . "Crystal Structure Of Sars-Cov Mpro In Complex With An Inhibitor I2" . . . . . 100.00 311 100.00 100.00 3.32e-79 . . . . 17911 1 19 no PDB 2DUC . "Crystal Structure Of Sars Coronavirus Main Proteinase(3clpro)" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 20 no PDB 2GT7 . "Crystal Structure Of Sars Coronavirus Main Peptidase At Ph 6.0 In The Space Group P21" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 21 no PDB 2GT8 . "Crystal Structure Of Sars Coronavirus Main Peptidase (With An Additional Ala At The N-Terminus Of Each Protomer) In The Space G" . . . . . 100.00 307 100.00 100.00 3.15e-79 . . . . 17911 1 22 no PDB 2GTB . "Crystal Structure Of Sars Coronavirus Main Peptidase (With An Additional Ala At The N-Terminus Of Each Protomer) Inhibited By A" . . . . . 100.00 307 100.00 100.00 3.15e-79 . . . . 17911 1 23 no PDB 2GX4 . "Crystal Structure Of Sars Coronavirus 3cl Protease Inhibitor Complex" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 24 no PDB 2GZ7 . "Structure-Based Drug Design And Structural Biology Study Of Novel Nonpeptide Inhibitors Of Sars-Cov Main Protease" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 25 no PDB 2GZ8 . "Structure-Based Drug Design And Structural Biology Study Of Novel Nonpeptide Inhibitors Of Sars-Cov Main Protease" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 26 no PDB 2GZ9 . "Structure-Based Drug Design And Structural Biology Study Of Novel Nonpeptide Inhibitors Of Sars-Cov Main Protease" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 27 no PDB 2H2Z . "Crystal Structure Of Sars-Cov Main Protease With Authentic N And C-Termini" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 28 no PDB 2HOB . "Crystal Structure Of Sars-Cov Main Protease With Authentic N And C-Termini In Complex With A Michael Acceptor N3" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 29 no PDB 2K7X . "Solution Structure Of C-Terminal Domain Of Sars-Cov Main Protease" . . . . . 100.00 120 100.00 100.00 1.84e-81 . . . . 17911 1 30 no PDB 2LIZ . "Nmr Solution Structure Of C-Terminal Domain Of Sars-Cov Main Protease In 2.5m Urea" . . . . . 100.00 120 100.00 100.00 1.84e-81 . . . . 17911 1 31 no PDB 2OP9 . "Substrate Specificity Profiling And Identification Of A New Class Of Inhibitor For The Major Protease Of The Sars Coronavirus" . . . . . 95.83 302 100.00 100.00 1.90e-75 . . . . 17911 1 32 no PDB 2PWX . "Crystal Structure Of G11a Mutant Of Sars-Cov 3c-Like Protease" . . . . . 100.00 308 100.00 100.00 2.85e-79 . . . . 17911 1 33 no PDB 2Q6G . "Crystal Structure Of Sars-cov Main Protease H41a Mutant In Complex With An N-terminal Substrate" . . . . . 100.00 306 100.00 100.00 2.99e-79 . . . . 17911 1 34 no PDB 2QC2 . "Crystal Structure Of Severe Acute Respiratory Syndrome (Sars) 3c-Like Protease Asn214ala Mutant" . . . . . 100.00 308 99.17 99.17 3.80e-78 . . . . 17911 1 35 no PDB 2QCY . "Crystal Structure Of A Monomeric Form Of Severe Acute Respiratory Syndrome (Sars) 3c-Like Protease Mutant" . . . . . 100.00 306 99.17 99.17 3.99e-78 . . . . 17911 1 36 no PDB 2QIQ . "Structure-Based Design And Synthesis And Biological Evaluation Of Peptidomimetic Sars-3clpro Inhibitors" . . . . . 95.83 301 100.00 100.00 2.91e-75 . . . . 17911 1 37 no PDB 2V6N . "Crystal Structures Of The Sars-Coronavirus Main Proteinase Inactivated By Benzotriazole Compounds" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 38 no PDB 2VJ1 . "A Structural View Of The Inactivation Of The Sars- Coronavirus Main Proteinase By Benzotriazole Esters" . . . . . 100.00 309 98.33 98.33 1.29e-77 . . . . 17911 1 39 no PDB 2YY4 . "Crystal Structure Of Ms8104" . . . . . 100.00 316 100.00 100.00 2.64e-79 . . . . 17911 1 40 no PDB 2Z3C . "A Mechanistic View Of Enzyme Inhibition And Peptide Hydrolysis In The Active Site Of The Sars-Cov 3c-Like Peptidase" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 41 no PDB 2Z3D . "A Mechanistic View Of Enzyme Inhibition And Peptide Hydrolysis In The Active Site Of The Sars-cov 3c-like Peptidase" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 42 no PDB 2Z3E . "A Mechanistic View Of Enzyme Inhibition And Peptide Hydrolysis In The Active Site Of The Sars-Cov 3c-Like Peptidase" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 43 no PDB 2Z94 . "Complex Structure Of Sars-cov 3c-like Protease With Tdt" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 44 no PDB 2Z9G . "Complex Structure Of Sars-Cov 3c-Like Protease With Pma" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 45 no PDB 2Z9J . "Complex Structure Of Sars-Cov 3c-Like Protease With Epdtc" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 46 no PDB 2Z9K . "Complex Structure Of Sars-Cov 3c-Like Protease With Jmf1600" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 47 no PDB 2Z9L . "Complex Structure Of Sars-Cov 3c-Like Protease With Jmf1586" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 48 no PDB 2ZU4 . "Complex Structure Of Sars-Cov 3cl Protease With Tg-0204998" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 49 no PDB 2ZU5 . "Complex Structure Of Sars-Cov 3cl Protease With Tg-0205486" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 50 no PDB 3ATW . "Structure-based Design, Synthesis, Evaluation Of Peptide-mimetic Sars 3cl Protease Inhibitors" . . . . . 100.00 306 99.17 99.17 6.50e-78 . . . . 17911 1 51 no PDB 3AVZ . "Structure Of Sars 3cl Protease With Peptidic Aldehyde Inhibitor Containing Cyclohexyl Side Chain" . . . . . 100.00 306 99.17 99.17 6.50e-78 . . . . 17911 1 52 no PDB 3AW0 . "Structure Of Sars 3cl Protease With Peptidic Aldehyde Inhibitor" . . . . . 100.00 306 99.17 99.17 6.50e-78 . . . . 17911 1 53 no PDB 3AW1 . "Structure Of Sars 3cl Protease Auto-Proteolysis Resistant Mutant In The Absent Of Inhibitor" . . . . . 100.00 306 99.17 99.17 6.50e-78 . . . . 17911 1 54 no PDB 3D62 . "Development Of Broad-Spectrum Halomethyl Ketone Inhibitors Against Coronavirus Main Protease 3clpro" . . . . . 95.83 299 100.00 100.00 2.38e-75 . . . . 17911 1 55 no PDB 3E91 . "Crystal Structure Of Sars-Cov Mpro Mutant In P21 At Ph6.9" . . . . . 100.00 306 97.50 98.33 3.03e-77 . . . . 17911 1 56 no PDB 3EA7 . "Crystal Structure Of Sars-Cov Main Protease Triple Mutant StiA IN SPACE GROUP P21" . . . . . 100.00 306 97.50 98.33 3.03e-77 . . . . 17911 1 57 no PDB 3EA8 . "Crystal Structure Of Sars-Cov Main Protease Triple Mutant StiA IN SPACE GROUP C2" . . . . . 100.00 306 97.50 98.33 3.03e-77 . . . . 17911 1 58 no PDB 3EBN . "A Special Dimerization Of Sars-Cov Main Protease C-Terminal Domain Due To Domain-Swapping" . . . . . 98.33 118 100.00 100.00 7.90e-80 . . . . 17911 1 59 no PDB 3F9E . "Crystal Structure Of The S139a Mutant Of Sars-Coronovirus 3c-Like Protease" . . . . . 100.00 308 100.00 100.00 3.21e-79 . . . . 17911 1 60 no PDB 3F9F . "Crystal Structure Of The F140a Mutant Of Sars-Coronovirus 3c-Like Protease At Ph 6.0" . . . . . 100.00 308 100.00 100.00 2.50e-79 . . . . 17911 1 61 no PDB 3F9G . "Crystal Structure Of The F140a Mutant Of Sars-Coronovirus 3c-Like Protease At Ph 6.5" . . . . . 95.83 303 100.00 100.00 1.65e-75 . . . . 17911 1 62 no PDB 3F9H . "Crystal Structure Of The F140a Mutant Of Sars-Coronovirus 3c-Like Protease At Ph 7.6" . . . . . 100.00 308 100.00 100.00 2.50e-79 . . . . 17911 1 63 no PDB 3FZD . "Mutation Of Asn28 Disrupts The Enzymatic Activity And Dimeri Sars 3clpro" . . . . . 95.83 301 100.00 100.00 1.69e-75 . . . . 17911 1 64 no PDB 3IWM . "The Octameric Sars-Cov Main Protease" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 65 no PDB 3M3S . "Crystal Structure Of Sars-Cov Main Protease Asn214ala Mutant With Authorize N-Terminus" . . . . . 100.00 306 99.17 99.17 3.62e-78 . . . . 17911 1 66 no PDB 3M3T . "Sars-Cov Main Protease Monomeric Arg298ala Mutant With N-Terminal Additional Residues (Gly-Ser)" . . . . . 100.00 308 99.17 99.17 3.56e-78 . . . . 17911 1 67 no PDB 3M3V . "Sars-Cov Main Protease Triple Mutant StiA WITH TWO N-Terminal Additional Residue (Gly-Ser)" . . . . . 100.00 308 97.50 98.33 3.29e-77 . . . . 17911 1 68 no PDB 3SN8 . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With Cm- Ff-H (Soaking)" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 69 no PDB 3SNA . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With Ac- Nsfsq-H (Soaking)" . . . . . 95.83 301 100.00 100.00 2.37e-75 . . . . 17911 1 70 no PDB 3SNB . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With Ac- Dsfdq-H (Soaking)" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 71 no PDB 3SNC . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With Ac- Nstsq-H (Soaking)" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 72 no PDB 3SND . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With Ac- Estlq-H (Cocrystallization)" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 73 no PDB 3SNE . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With Ac- Estlq-H (Soaking)" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 74 no PDB 3SZN . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With An Alpha, Beta-Unsaturated Ethyl Ester Sg75" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 75 no PDB 3TIT . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With An Alpha, Beta-Unsaturated Ethyl Ester Sg81" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 76 no PDB 3TIU . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With An Alpha,Beta-Unsaturated Ethyl Ester Inhibitor Sg82" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 77 no PDB 3TNS . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With An Alpha, Beta-Unsaturated Ethyl Ester Inhibitor Sg83" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 78 no PDB 3TNT . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With An Alpha, Beta-Unsaturated Ethyl Ester Inhibitor Sg85" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 79 no PDB 3V3M . "Severe Acute Respiratory Syndrome Coronavirus (sars-cov) 3cl Protease In Complex With N-[(1r)-2-(tert-butylamino)-2-oxo-1-(pyri" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 80 no PDB 3VB3 . "Crystal Structure Of Sars-Cov 3c-Like Protease In Apo Form" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 81 no PDB 3VB4 . "Crystal Structure Of Sars-Cov 3c-Like Protease With B4z" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 82 no PDB 3VB5 . "Crystal Structure Of Sars-Cov 3c-Like Protease With C4z" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 83 no PDB 3VB6 . "Crystal Structure Of Sars-Cov 3c-Like Protease With C6z" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 84 no PDB 3VB7 . "Crystal Structure Of Sars-Cov 3c-Like Protease With M4z" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 85 no PDB 4HI3 . "Crystal Structure Of Dimeric R298a Mutant Of Sars Coronavirus Main Protease" . . . . . 100.00 315 99.17 99.17 2.94e-78 . . . . 17911 1 86 no PDB 4MDS . "Discovery Of N-(benzo[1,2,3]triazol-1-yl)-n-(benzyl)acetamido)phenyl) Carboxamides As Severe Acute Respiratory Syndrome Coronav" . . . . . 96.67 303 100.00 100.00 2.61e-76 . . . . 17911 1 87 no PDB 4TWW . "Structure Of Sars-3cl Protease Complex With A Bromobenzoyl (s,r)-n- Decalin Type Inhibitor" . . . . . 100.00 306 99.17 99.17 6.50e-78 . . . . 17911 1 88 no PDB 4TWY . "Structure Of Sars-3cl Protease Complex With A Phenylbenzoyl (s,r)-n- Decalin Type Inhibitor" . . . . . 100.00 306 99.17 99.17 6.50e-78 . . . . 17911 1 89 no PDB 4WY3 . "Structure Of Sars-3cl Protease Complex With A Phenylbenzoyl (r,s)-n- Decalin Type Inhibitor" . . . . . 100.00 306 99.17 99.17 6.50e-78 . . . . 17911 1 90 no DBJ BAC81346 . "polyprotein 1ab [SARS coronavirus TWH]" . . . . . 100.00 7073 100.00 100.00 3.62e-73 . . . . 17911 1 91 no DBJ BAC81347 . "polyprotein 1a [SARS coronavirus TWH]" . . . . . 100.00 4382 100.00 100.00 1.81e-73 . . . . 17911 1 92 no DBJ BAC81360 . "polyprotein 1ab [SARS coronavirus TWJ]" . . . . . 100.00 7073 100.00 100.00 3.62e-73 . . . . 17911 1 93 no DBJ BAC81361 . "polyprotein 1a [SARS coronavirus TWJ]" . . . . . 100.00 4382 100.00 100.00 1.81e-73 . . . . 17911 1 94 no DBJ BAC81374 . "polyprotein 1ab [SARS coronavirus TWK]" . . . . . 100.00 7073 100.00 100.00 3.62e-73 . . . . 17911 1 95 no GB AAP13439 . "nonstructural polyprotein pp1a [SARS coronavirus Urbani]" . . . . . 100.00 4382 100.00 100.00 1.81e-73 . . . . 17911 1 96 no GB AAP13442 . "nonstructural polyprotein pp1ab [SARS coronavirus Urbani]" . . . . . 100.00 7073 100.00 100.00 3.62e-73 . . . . 17911 1 97 no GB AAP13566 . "putative orf1ab polyprotein [SARS coronavirus CUHK-W1]" . . . . . 100.00 7073 100.00 100.00 3.62e-73 . . . . 17911 1 98 no GB AAP13575 . "orf1a polyprotein [SARS coronavirus CUHK-W1]" . . . . . 100.00 4382 100.00 100.00 1.81e-73 . . . . 17911 1 99 no GB AAP30028 . "orf1ab [SARS coronavirus BJ01]" . . . . . 100.00 7073 100.00 100.00 3.62e-73 . . . . 17911 1 100 no REF NP_828849 . "orf1ab polyprotein (pp1ab) [SARS coronavirus]" . . . . . 100.00 7073 100.00 100.00 3.62e-73 . . . . 17911 1 101 no REF NP_828850 . "orf1a polyprotein (pp1a) [SARS coronavirus]" . . . . . 100.00 4382 100.00 100.00 1.81e-73 . . . . 17911 1 102 no REF NP_828863 . "nsp5-pp1a/pp1ab (3CL-PRO) [SARS coronavirus]" . . . . . 100.00 306 100.00 100.00 2.80e-79 . . . . 17911 1 103 no SP P0C6F5 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 100.00 4388 100.00 100.00 1.83e-73 . . . . 17911 1 104 no SP P0C6F8 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 100.00 4376 100.00 100.00 1.01e-74 . . . . 17911 1 105 no SP P0C6T7 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 100.00 4380 100.00 100.00 1.44e-74 . . . . 17911 1 106 no SP P0C6U8 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 100.00 4382 100.00 100.00 1.81e-73 . . . . 17911 1 107 no SP P0C6V9 . "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" . . . . . 100.00 7079 100.00 100.00 3.52e-73 . . . . 17911 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 1 187 ASP . 17911 1 2 188 ARG . 17911 1 3 189 GLN . 17911 1 4 190 THR . 17911 1 5 191 ALA . 17911 1 6 192 GLN . 17911 1 7 193 ALA . 17911 1 8 194 ALA . 17911 1 9 195 GLY . 17911 1 10 196 THR . 17911 1 11 197 ASP . 17911 1 12 198 THR . 17911 1 13 199 THR . 17911 1 14 200 ILE . 17911 1 15 201 THR . 17911 1 16 202 LEU . 17911 1 17 203 ASN . 17911 1 18 204 VAL . 17911 1 19 205 LEU . 17911 1 20 206 ALA . 17911 1 21 207 TRP . 17911 1 22 208 LEU . 17911 1 23 209 TYR . 17911 1 24 210 ALA . 17911 1 25 211 ALA . 17911 1 26 212 VAL . 17911 1 27 213 ILE . 17911 1 28 214 ASN . 17911 1 29 215 GLY . 17911 1 30 216 ASP . 17911 1 31 217 ARG . 17911 1 32 218 TRP . 17911 1 33 219 PHE . 17911 1 34 220 LEU . 17911 1 35 221 ASN . 17911 1 36 222 ARG . 17911 1 37 223 PHE . 17911 1 38 224 THR . 17911 1 39 225 THR . 17911 1 40 226 THR . 17911 1 41 227 LEU . 17911 1 42 228 ASN . 17911 1 43 229 ASP . 17911 1 44 230 PHE . 17911 1 45 231 ASN . 17911 1 46 232 LEU . 17911 1 47 233 VAL . 17911 1 48 234 ALA . 17911 1 49 235 MET . 17911 1 50 236 LYS . 17911 1 51 237 TYR . 17911 1 52 238 ASN . 17911 1 53 239 TYR . 17911 1 54 240 GLU . 17911 1 55 241 PRO . 17911 1 56 242 LEU . 17911 1 57 243 THR . 17911 1 58 244 GLN . 17911 1 59 245 ASP . 17911 1 60 246 HIS . 17911 1 61 247 VAL . 17911 1 62 248 ASP . 17911 1 63 249 ILE . 17911 1 64 250 LEU . 17911 1 65 251 GLY . 17911 1 66 252 PRO . 17911 1 67 253 LEU . 17911 1 68 254 SER . 17911 1 69 255 ALA . 17911 1 70 256 GLN . 17911 1 71 257 THR . 17911 1 72 258 GLY . 17911 1 73 259 ILE . 17911 1 74 260 ALA . 17911 1 75 261 VAL . 17911 1 76 262 LEU . 17911 1 77 263 ASP . 17911 1 78 264 MET . 17911 1 79 265 CYS . 17911 1 80 266 ALA . 17911 1 81 267 ALA . 17911 1 82 268 LEU . 17911 1 83 269 LYS . 17911 1 84 270 GLU . 17911 1 85 271 LEU . 17911 1 86 272 LEU . 17911 1 87 273 GLN . 17911 1 88 274 ASN . 17911 1 89 275 GLY . 17911 1 90 276 MET . 17911 1 91 277 ASN . 17911 1 92 278 GLY . 17911 1 93 279 ARG . 17911 1 94 280 THR . 17911 1 95 281 ILE . 17911 1 96 282 LEU . 17911 1 97 283 GLY . 17911 1 98 284 SER . 17911 1 99 285 THR . 17911 1 100 286 ILE . 17911 1 101 287 LEU . 17911 1 102 288 GLU . 17911 1 103 289 ASP . 17911 1 104 290 GLU . 17911 1 105 291 PHE . 17911 1 106 292 THR . 17911 1 107 293 PRO . 17911 1 108 294 PHE . 17911 1 109 295 ASP . 17911 1 110 296 VAL . 17911 1 111 297 VAL . 17911 1 112 298 ARG . 17911 1 113 299 GLN . 17911 1 114 300 CYS . 17911 1 115 301 SER . 17911 1 116 302 GLY . 17911 1 117 303 VAL . 17911 1 118 304 THR . 17911 1 119 305 PHE . 17911 1 120 306 GLN . 17911 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 . ASP 1 1 17911 1 . ARG 2 2 17911 1 . GLN 3 3 17911 1 . THR 4 4 17911 1 . ALA 5 5 17911 1 . GLN 6 6 17911 1 . ALA 7 7 17911 1 . ALA 8 8 17911 1 . GLY 9 9 17911 1 . THR 10 10 17911 1 . ASP 11 11 17911 1 . THR 12 12 17911 1 . THR 13 13 17911 1 . ILE 14 14 17911 1 . THR 15 15 17911 1 . LEU 16 16 17911 1 . ASN 17 17 17911 1 . VAL 18 18 17911 1 . LEU 19 19 17911 1 . ALA 20 20 17911 1 . TRP 21 21 17911 1 . LEU 22 22 17911 1 . TYR 23 23 17911 1 . ALA 24 24 17911 1 . ALA 25 25 17911 1 . VAL 26 26 17911 1 . ILE 27 27 17911 1 . ASN 28 28 17911 1 . GLY 29 29 17911 1 . ASP 30 30 17911 1 . ARG 31 31 17911 1 . TRP 32 32 17911 1 . PHE 33 33 17911 1 . LEU 34 34 17911 1 . ASN 35 35 17911 1 . ARG 36 36 17911 1 . PHE 37 37 17911 1 . THR 38 38 17911 1 . THR 39 39 17911 1 . THR 40 40 17911 1 . LEU 41 41 17911 1 . ASN 42 42 17911 1 . ASP 43 43 17911 1 . PHE 44 44 17911 1 . ASN 45 45 17911 1 . LEU 46 46 17911 1 . VAL 47 47 17911 1 . ALA 48 48 17911 1 . MET 49 49 17911 1 . LYS 50 50 17911 1 . TYR 51 51 17911 1 . ASN 52 52 17911 1 . TYR 53 53 17911 1 . GLU 54 54 17911 1 . PRO 55 55 17911 1 . LEU 56 56 17911 1 . THR 57 57 17911 1 . GLN 58 58 17911 1 . ASP 59 59 17911 1 . HIS 60 60 17911 1 . VAL 61 61 17911 1 . ASP 62 62 17911 1 . ILE 63 63 17911 1 . LEU 64 64 17911 1 . GLY 65 65 17911 1 . PRO 66 66 17911 1 . LEU 67 67 17911 1 . SER 68 68 17911 1 . ALA 69 69 17911 1 . GLN 70 70 17911 1 . THR 71 71 17911 1 . GLY 72 72 17911 1 . ILE 73 73 17911 1 . ALA 74 74 17911 1 . VAL 75 75 17911 1 . LEU 76 76 17911 1 . ASP 77 77 17911 1 . MET 78 78 17911 1 . CYS 79 79 17911 1 . ALA 80 80 17911 1 . ALA 81 81 17911 1 . LEU 82 82 17911 1 . LYS 83 83 17911 1 . GLU 84 84 17911 1 . LEU 85 85 17911 1 . LEU 86 86 17911 1 . GLN 87 87 17911 1 . ASN 88 88 17911 1 . GLY 89 89 17911 1 . MET 90 90 17911 1 . ASN 91 91 17911 1 . GLY 92 92 17911 1 . ARG 93 93 17911 1 . THR 94 94 17911 1 . ILE 95 95 17911 1 . LEU 96 96 17911 1 . GLY 97 97 17911 1 . SER 98 98 17911 1 . THR 99 99 17911 1 . ILE 100 100 17911 1 . LEU 101 101 17911 1 . GLU 102 102 17911 1 . ASP 103 103 17911 1 . GLU 104 104 17911 1 . PHE 105 105 17911 1 . THR 106 106 17911 1 . PRO 107 107 17911 1 . PHE 108 108 17911 1 . ASP 109 109 17911 1 . VAL 110 110 17911 1 . VAL 111 111 17911 1 . ARG 112 112 17911 1 . GLN 113 113 17911 1 . CYS 114 114 17911 1 . SER 115 115 17911 1 . GLY 116 116 17911 1 . VAL 117 117 17911 1 . THR 118 118 17911 1 . PHE 119 119 17911 1 . GLN 120 120 17911 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 17911 _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 $Mpro-C . 227859 virus . 'SARS coronavirus' 'SARS coronavirus' . . Viruses . SARS coronavirus . . . . . . . . . . . . . . . . . . 'SARS coronavirus' . . 17911 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 17911 _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 $Mpro-C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21a . . . . . . 17911 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17911 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Mpro-C '[U-100% 15N]' . . 1 $Mpro-C . . 1 . . mM . . . . 17911 1 2 Mpro-C '[U-100% 13C; U-100% 15N]' . . 1 $Mpro-C . . 1 . . mM . . . . 17911 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17911 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17911 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17911 1 6 PBS 'natural abundance' . . . . . . 50 . . mM . . . . 17911 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17911 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 17911 1 pH 7.0 . pH 17911 1 pressure 1 . atm 17911 1 temperature 298 . K 17911 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17911 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17911 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17911 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17911 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17911 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17911 2 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 17911 _Software.ID 3 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 17911 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17911 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17911 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17911 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17911 4 stop_ save_ save_SANE _Software.Sf_category software _Software.Sf_framecode SANE _Software.Entry_ID 17911 _Software.ID 5 _Software.Name SANE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Duggan, Legge, Dyson & Wright' . . 17911 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17911 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17911 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17911 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17911 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17911 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17911 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17911 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 17911 1 2 spectrometer_2 Bruker Avance . 800 . . . 17911 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 17911 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17911 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17911 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17911 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17911 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17911 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17911 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17911 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17911 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17911 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17911 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17911 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17911 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17911 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17911 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17911 1 2 '2D 1H-13C HSQC' . . . 17911 1 4 '3D HNCACB' . . . 17911 1 5 '3D HBHA(CO)NH' . . . 17911 1 9 '3D HCCH-TOCSY' . . . 17911 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 4.610 0.02 . 1 . . . A 187 ASP HA . 17911 1 2 . 1 1 1 1 ASP HB2 H 1 2.631 0.02 . 2 . . . A 187 ASP HB2 . 17911 1 3 . 1 1 1 1 ASP HB3 H 1 2.544 0.02 . 2 . . . A 187 ASP HB3 . 17911 1 4 . 1 1 1 1 ASP CA C 13 54.520 0.2 . 1 . . . A 187 ASP CA . 17911 1 5 . 1 1 1 1 ASP CB C 13 41.114 0.2 . 1 . . . A 187 ASP CB . 17911 1 6 . 1 1 2 2 ARG H H 1 8.475 0.02 . 1 . . . A 188 ARG H . 17911 1 7 . 1 1 2 2 ARG HA H 1 4.242 0.02 . 1 . . . A 188 ARG HA . 17911 1 8 . 1 1 2 2 ARG HB2 H 1 1.810 0.02 . 2 . . . A 188 ARG HB2 . 17911 1 9 . 1 1 2 2 ARG HB3 H 1 1.708 0.02 . 2 . . . A 188 ARG HB3 . 17911 1 10 . 1 1 2 2 ARG HG2 H 1 1.489 0.02 . 2 . . . A 188 ARG HG2 . 17911 1 11 . 1 1 2 2 ARG HG3 H 1 1.567 0.02 . 2 . . . A 188 ARG HG3 . 17911 1 12 . 1 1 2 2 ARG HD2 H 1 3.129 0.02 . 2 . . . A 188 ARG HD2 . 17911 1 13 . 1 1 2 2 ARG CA C 13 56.487 0.2 . 1 . . . A 188 ARG CA . 17911 1 14 . 1 1 2 2 ARG CB C 13 30.857 0.2 . 1 . . . A 188 ARG CB . 17911 1 15 . 1 1 2 2 ARG CG C 13 27.453 0.2 . 1 . . . A 188 ARG CG . 17911 1 16 . 1 1 2 2 ARG CD C 13 43.321 0.2 . 1 . . . A 188 ARG CD . 17911 1 17 . 1 1 2 2 ARG N N 15 121.886 0.2 . 1 . . . A 188 ARG N . 17911 1 18 . 1 1 3 3 GLN H H 1 8.553 0.02 . 1 . . . A 189 GLN H . 17911 1 19 . 1 1 3 3 GLN HA H 1 4.302 0.02 . 1 . . . A 189 GLN HA . 17911 1 20 . 1 1 3 3 GLN HB2 H 1 2.076 0.02 . 2 . . . A 189 GLN HB2 . 17911 1 21 . 1 1 3 3 GLN HB3 H 1 1.967 0.02 . 2 . . . A 189 GLN HB3 . 17911 1 22 . 1 1 3 3 GLN HG2 H 1 2.325 0.02 . 2 . . . A 189 GLN HG2 . 17911 1 23 . 1 1 3 3 GLN HE21 H 1 6.251 0.02 . 2 . . . A 189 GLN HE21 . 17911 1 24 . 1 1 3 3 GLN HE22 H 1 7.252 0.02 . 2 . . . A 189 GLN HE22 . 17911 1 25 . 1 1 3 3 GLN CA C 13 56.366 0.2 . 1 . . . A 189 GLN CA . 17911 1 26 . 1 1 3 3 GLN CB C 13 29.254 0.2 . 1 . . . A 189 GLN CB . 17911 1 27 . 1 1 3 3 GLN CG C 13 33.994 0.2 . 1 . . . A 189 GLN CG . 17911 1 28 . 1 1 3 3 GLN N N 15 121.336 0.2 . 1 . . . A 189 GLN N . 17911 1 29 . 1 1 3 3 GLN NE2 N 15 109.598 0.2 . 1 . . . A 189 GLN NE2 . 17911 1 30 . 1 1 4 4 THR H H 1 8.123 0.02 . 1 . . . A 190 THR H . 17911 1 31 . 1 1 4 4 THR HA H 1 4.275 0.02 . 1 . . . A 190 THR HA . 17911 1 32 . 1 1 4 4 THR HB H 1 4.161 0.02 . 1 . . . A 190 THR HB . 17911 1 33 . 1 1 4 4 THR HG21 H 1 1.138 0.02 . 1 . . . A 190 THR HG21 . 17911 1 34 . 1 1 4 4 THR HG22 H 1 1.138 0.02 . 1 . . . A 190 THR HG22 . 17911 1 35 . 1 1 4 4 THR HG23 H 1 1.138 0.02 . 1 . . . A 190 THR HG23 . 17911 1 36 . 1 1 4 4 THR CA C 13 62.066 0.2 . 1 . . . A 190 THR CA . 17911 1 37 . 1 1 4 4 THR CB C 13 69.894 0.2 . 1 . . . A 190 THR CB . 17911 1 38 . 1 1 4 4 THR CG2 C 13 21.664 0.2 . 1 . . . A 190 THR CG2 . 17911 1 39 . 1 1 4 4 THR N N 15 115.273 0.2 . 1 . . . A 190 THR N . 17911 1 40 . 1 1 5 5 ALA H H 1 8.284 0.02 . 1 . . . A 191 ALA H . 17911 1 41 . 1 1 5 5 ALA HA H 1 4.247 0.02 . 1 . . . A 191 ALA HA . 17911 1 42 . 1 1 5 5 ALA HB1 H 1 1.344 0.02 . 1 . . . A 191 ALA HB1 . 17911 1 43 . 1 1 5 5 ALA HB2 H 1 1.344 0.02 . 1 . . . A 191 ALA HB2 . 17911 1 44 . 1 1 5 5 ALA HB3 H 1 1.344 0.02 . 1 . . . A 191 ALA HB3 . 17911 1 45 . 1 1 5 5 ALA CA C 13 52.537 0.2 . 1 . . . A 191 ALA CA . 17911 1 46 . 1 1 5 5 ALA CB C 13 19.183 0.2 . 1 . . . A 191 ALA CB . 17911 1 47 . 1 1 5 5 ALA N N 15 126.029 0.2 . 1 . . . A 191 ALA N . 17911 1 48 . 1 1 6 6 GLN H H 1 8.287 0.02 . 1 . . . A 192 GLN H . 17911 1 49 . 1 1 6 6 GLN HA H 1 4.217 0.02 . 1 . . . A 192 GLN HA . 17911 1 50 . 1 1 6 6 GLN HB2 H 1 2.028 0.02 . 2 . . . A 192 GLN HB2 . 17911 1 51 . 1 1 6 6 GLN HB3 H 1 1.922 0.02 . 2 . . . A 192 GLN HB3 . 17911 1 52 . 1 1 6 6 GLN HG2 H 1 2.314 0.02 . 2 . . . A 192 GLN HG2 . 17911 1 53 . 1 1 6 6 GLN HE21 H 1 6.826 0.02 . 2 . . . A 192 GLN HE21 . 17911 1 54 . 1 1 6 6 GLN HE22 H 1 7.484 0.02 . 2 . . . A 192 GLN HE22 . 17911 1 55 . 1 1 6 6 GLN CA C 13 55.685 0.2 . 1 . . . A 192 GLN CA . 17911 1 56 . 1 1 6 6 GLN CB C 13 29.513 0.2 . 1 . . . A 192 GLN CB . 17911 1 57 . 1 1 6 6 GLN CG C 13 33.811 0.2 . 1 . . . A 192 GLN CG . 17911 1 58 . 1 1 6 6 GLN N N 15 119.614 0.2 . 1 . . . A 192 GLN N . 17911 1 59 . 1 1 6 6 GLN NE2 N 15 112.391 0.2 . 1 . . . A 192 GLN NE2 . 17911 1 60 . 1 1 7 7 ALA H H 1 8.271 0.02 . 1 . . . A 193 ALA H . 17911 1 61 . 1 1 7 7 ALA HA H 1 4.246 0.02 . 1 . . . A 193 ALA HA . 17911 1 62 . 1 1 7 7 ALA HB1 H 1 1.342 0.02 . 1 . . . A 193 ALA HB1 . 17911 1 63 . 1 1 7 7 ALA HB2 H 1 1.342 0.02 . 1 . . . A 193 ALA HB2 . 17911 1 64 . 1 1 7 7 ALA HB3 H 1 1.342 0.02 . 1 . . . A 193 ALA HB3 . 17911 1 65 . 1 1 7 7 ALA CA C 13 52.537 0.2 . 1 . . . A 193 ALA CA . 17911 1 66 . 1 1 7 7 ALA CB C 13 19.268 0.2 . 1 . . . A 193 ALA CB . 17911 1 67 . 1 1 7 7 ALA N N 15 125.571 0.2 . 1 . . . A 193 ALA N . 17911 1 68 . 1 1 8 8 ALA H H 1 8.275 0.02 . 1 . . . A 194 ALA H . 17911 1 69 . 1 1 8 8 ALA HA H 1 4.250 0.02 . 1 . . . A 194 ALA HA . 17911 1 70 . 1 1 8 8 ALA HB1 H 1 1.342 0.02 . 1 . . . A 194 ALA HB1 . 17911 1 71 . 1 1 8 8 ALA HB2 H 1 1.342 0.02 . 1 . . . A 194 ALA HB2 . 17911 1 72 . 1 1 8 8 ALA HB3 H 1 1.342 0.02 . 1 . . . A 194 ALA HB3 . 17911 1 73 . 1 1 8 8 ALA CA C 13 52.593 0.2 . 1 . . . A 194 ALA CA . 17911 1 74 . 1 1 8 8 ALA CB C 13 19.324 0.2 . 1 . . . A 194 ALA CB . 17911 1 75 . 1 1 8 8 ALA N N 15 123.461 0.2 . 1 . . . A 194 ALA N . 17911 1 76 . 1 1 9 9 GLY H H 1 8.328 0.02 . 1 . . . A 195 GLY H . 17911 1 77 . 1 1 9 9 GLY HA2 H 1 3.935 0.02 . 2 . . . A 195 GLY HA2 . 17911 1 78 . 1 1 9 9 GLY HA3 H 1 3.971 0.02 . 2 . . . A 195 GLY HA3 . 17911 1 79 . 1 1 9 9 GLY CA C 13 45.219 0.2 . 1 . . . A 195 GLY CA . 17911 1 80 . 1 1 9 9 GLY N N 15 108.312 0.2 . 1 . . . A 195 GLY N . 17911 1 81 . 1 1 10 10 THR H H 1 7.998 0.02 . 1 . . . A 196 THR H . 17911 1 82 . 1 1 10 10 THR HA H 1 4.334 0.02 . 1 . . . A 196 THR HA . 17911 1 83 . 1 1 10 10 THR HB H 1 4.194 0.02 . 1 . . . A 196 THR HB . 17911 1 84 . 1 1 10 10 THR HG21 H 1 1.130 0.02 . 1 . . . A 196 THR HG21 . 17911 1 85 . 1 1 10 10 THR HG22 H 1 1.130 0.02 . 1 . . . A 196 THR HG22 . 17911 1 86 . 1 1 10 10 THR HG23 H 1 1.130 0.02 . 1 . . . A 196 THR HG23 . 17911 1 87 . 1 1 10 10 THR CA C 13 61.471 0.2 . 1 . . . A 196 THR CA . 17911 1 88 . 1 1 10 10 THR CB C 13 69.894 0.2 . 1 . . . A 196 THR CB . 17911 1 89 . 1 1 10 10 THR CG2 C 13 21.520 0.2 . 1 . . . A 196 THR CG2 . 17911 1 90 . 1 1 10 10 THR N N 15 112.710 0.2 . 1 . . . A 196 THR N . 17911 1 91 . 1 1 11 11 ASP H H 1 8.404 0.02 . 1 . . . A 197 ASP H . 17911 1 92 . 1 1 11 11 ASP HA H 1 4.609 0.02 . 1 . . . A 197 ASP HA . 17911 1 93 . 1 1 11 11 ASP HB2 H 1 2.627 0.02 . 2 . . . A 197 ASP HB2 . 17911 1 94 . 1 1 11 11 ASP HB3 H 1 2.545 0.02 . 2 . . . A 197 ASP HB3 . 17911 1 95 . 1 1 11 11 ASP CA C 13 54.262 0.2 . 1 . . . A 197 ASP CA . 17911 1 96 . 1 1 11 11 ASP CB C 13 41.135 0.2 . 1 . . . A 197 ASP CB . 17911 1 97 . 1 1 11 11 ASP N N 15 122.862 0.2 . 1 . . . A 197 ASP N . 17911 1 98 . 1 1 12 12 THR H H 1 7.895 0.02 . 1 . . . A 198 THR H . 17911 1 99 . 1 1 12 12 THR HA H 1 4.400 0.02 . 1 . . . A 198 THR HA . 17911 1 100 . 1 1 12 12 THR HB H 1 3.851 0.02 . 1 . . . A 198 THR HB . 17911 1 101 . 1 1 12 12 THR HG21 H 1 0.988 0.02 . 1 . . . A 198 THR HG21 . 17911 1 102 . 1 1 12 12 THR HG22 H 1 0.988 0.02 . 1 . . . A 198 THR HG22 . 17911 1 103 . 1 1 12 12 THR HG23 H 1 0.988 0.02 . 1 . . . A 198 THR HG23 . 17911 1 104 . 1 1 12 12 THR CA C 13 61.223 0.2 . 1 . . . A 198 THR CA . 17911 1 105 . 1 1 12 12 THR CB C 13 70.490 0.2 . 1 . . . A 198 THR CB . 17911 1 106 . 1 1 12 12 THR CG2 C 13 22.330 0.2 . 1 . . . A 198 THR CG2 . 17911 1 107 . 1 1 12 12 THR N N 15 114.709 0.2 . 1 . . . A 198 THR N . 17911 1 108 . 1 1 13 13 THR H H 1 8.354 0.02 . 1 . . . A 199 THR H . 17911 1 109 . 1 1 13 13 THR HA H 1 3.961 0.02 . 1 . . . A 199 THR HA . 17911 1 110 . 1 1 13 13 THR HB H 1 2.554 0.02 . 1 . . . A 199 THR HB . 17911 1 111 . 1 1 13 13 THR HG21 H 1 0.519 0.02 . 1 . . . A 199 THR HG21 . 17911 1 112 . 1 1 13 13 THR HG22 H 1 0.519 0.02 . 1 . . . A 199 THR HG22 . 17911 1 113 . 1 1 13 13 THR HG23 H 1 0.519 0.02 . 1 . . . A 199 THR HG23 . 17911 1 114 . 1 1 13 13 THR CA C 13 63.286 0.2 . 1 . . . A 199 THR CA . 17911 1 115 . 1 1 13 13 THR CB C 13 68.958 0.2 . 1 . . . A 199 THR CB . 17911 1 116 . 1 1 13 13 THR CG2 C 13 22.320 0.2 . 1 . . . A 199 THR CG2 . 17911 1 117 . 1 1 13 13 THR N N 15 122.785 0.2 . 1 . . . A 199 THR N . 17911 1 118 . 1 1 14 14 ILE H H 1 9.362 0.02 . 1 . . . A 200 ILE H . 17911 1 119 . 1 1 14 14 ILE HA H 1 3.807 0.02 . 1 . . . A 200 ILE HA . 17911 1 120 . 1 1 14 14 ILE HB H 1 1.993 0.02 . 1 . . . A 200 ILE HB . 17911 1 121 . 1 1 14 14 ILE HG12 H 1 1.534 0.02 . 1 . . . A 200 ILE HG12 . 17911 1 122 . 1 1 14 14 ILE HG13 H 1 1.103 0.02 . 1 . . . A 200 ILE HG13 . 17911 1 123 . 1 1 14 14 ILE HG21 H 1 0.816 0.02 . 1 . . . A 200 ILE HG21 . 17911 1 124 . 1 1 14 14 ILE HG22 H 1 0.816 0.02 . 1 . . . A 200 ILE HG22 . 17911 1 125 . 1 1 14 14 ILE HG23 H 1 0.816 0.02 . 1 . . . A 200 ILE HG23 . 17911 1 126 . 1 1 14 14 ILE HD11 H 1 0.743 0.02 . 1 . . . A 200 ILE HD11 . 17911 1 127 . 1 1 14 14 ILE HD12 H 1 0.743 0.02 . 1 . . . A 200 ILE HD12 . 17911 1 128 . 1 1 14 14 ILE HD13 H 1 0.743 0.02 . 1 . . . A 200 ILE HD13 . 17911 1 129 . 1 1 14 14 ILE CA C 13 60.965 0.2 . 1 . . . A 200 ILE CA . 17911 1 130 . 1 1 14 14 ILE CB C 13 35.860 0.2 . 1 . . . A 200 ILE CB . 17911 1 131 . 1 1 14 14 ILE CG1 C 13 26.676 0.2 . 1 . . . A 200 ILE CG1 . 17911 1 132 . 1 1 14 14 ILE CG2 C 13 18.649 0.2 . 1 . . . A 200 ILE CG2 . 17911 1 133 . 1 1 14 14 ILE CD1 C 13 12.126 0.2 . 1 . . . A 200 ILE CD1 . 17911 1 134 . 1 1 14 14 ILE N N 15 127.902 0.2 . 1 . . . A 200 ILE N . 17911 1 135 . 1 1 15 15 THR H H 1 7.834 0.02 . 1 . . . A 201 THR H . 17911 1 136 . 1 1 15 15 THR HA H 1 3.521 0.02 . 1 . . . A 201 THR HA . 17911 1 137 . 1 1 15 15 THR HB H 1 4.080 0.02 . 1 . . . A 201 THR HB . 17911 1 138 . 1 1 15 15 THR HG21 H 1 1.369 0.02 . 1 . . . A 201 THR HG21 . 17911 1 139 . 1 1 15 15 THR HG22 H 1 1.369 0.02 . 1 . . . A 201 THR HG22 . 17911 1 140 . 1 1 15 15 THR HG23 H 1 1.369 0.02 . 1 . . . A 201 THR HG23 . 17911 1 141 . 1 1 15 15 THR CA C 13 66.637 0.2 . 1 . . . A 201 THR CA . 17911 1 142 . 1 1 15 15 THR CB C 13 67.411 0.2 . 1 . . . A 201 THR CB . 17911 1 143 . 1 1 15 15 THR CG2 C 13 24.098 0.2 . 1 . . . A 201 THR CG2 . 17911 1 144 . 1 1 15 15 THR N N 15 130.379 0.2 . 1 . . . A 201 THR N . 17911 1 145 . 1 1 16 16 LEU H H 1 8.913 0.02 . 1 . . . A 202 LEU H . 17911 1 146 . 1 1 16 16 LEU HA H 1 3.715 0.02 . 1 . . . A 202 LEU HA . 17911 1 147 . 1 1 16 16 LEU HB2 H 1 1.348 0.02 . 2 . . . A 202 LEU HB2 . 17911 1 148 . 1 1 16 16 LEU HB3 H 1 1.147 0.02 . 2 . . . A 202 LEU HB3 . 17911 1 149 . 1 1 16 16 LEU HG H 1 0.861 0.02 . 1 . . . A 202 LEU HG . 17911 1 150 . 1 1 16 16 LEU HD11 H 1 0.891 0.02 . 2 . . . A 202 LEU HD11 . 17911 1 151 . 1 1 16 16 LEU HD12 H 1 0.891 0.02 . 2 . . . A 202 LEU HD12 . 17911 1 152 . 1 1 16 16 LEU HD13 H 1 0.891 0.02 . 2 . . . A 202 LEU HD13 . 17911 1 153 . 1 1 16 16 LEU CA C 13 58.387 0.2 . 1 . . . A 202 LEU CA . 17911 1 154 . 1 1 16 16 LEU CB C 13 43.148 0.2 . 1 . . . A 202 LEU CB . 17911 1 155 . 1 1 16 16 LEU CG C 13 25.647 0.2 . 1 . . . A 202 LEU CG . 17911 1 156 . 1 1 16 16 LEU CD1 C 13 23.975 0.2 . 1 . . . A 202 LEU CD1 . 17911 1 157 . 1 1 16 16 LEU N N 15 120.049 0.2 . 1 . . . A 202 LEU N . 17911 1 158 . 1 1 17 17 ASN H H 1 6.926 0.02 . 1 . . . A 203 ASN H . 17911 1 159 . 1 1 17 17 ASN HA H 1 4.594 0.02 . 1 . . . A 203 ASN HA . 17911 1 160 . 1 1 17 17 ASN HB2 H 1 2.884 0.02 . 2 . . . A 203 ASN HB2 . 17911 1 161 . 1 1 17 17 ASN HB3 H 1 2.829 0.02 . 2 . . . A 203 ASN HB3 . 17911 1 162 . 1 1 17 17 ASN HD21 H 1 6.307 0.02 . 2 . . . A 203 ASN HD21 . 17911 1 163 . 1 1 17 17 ASN HD22 H 1 7.367 0.02 . 2 . . . A 203 ASN HD22 . 17911 1 164 . 1 1 17 17 ASN CA C 13 54.520 0.2 . 1 . . . A 203 ASN CA . 17911 1 165 . 1 1 17 17 ASN CB C 13 37.246 0.2 . 1 . . . A 203 ASN CB . 17911 1 166 . 1 1 17 17 ASN N N 15 117.390 0.2 . 1 . . . A 203 ASN N . 17911 1 167 . 1 1 17 17 ASN ND2 N 15 105.688 0.2 . 1 . . . A 203 ASN ND2 . 17911 1 168 . 1 1 18 18 VAL H H 1 7.660 0.02 . 1 . . . A 204 VAL H . 17911 1 169 . 1 1 18 18 VAL HA H 1 4.242 0.02 . 1 . . . A 204 VAL HA . 17911 1 170 . 1 1 18 18 VAL HB H 1 2.225 0.02 . 1 . . . A 204 VAL HB . 17911 1 171 . 1 1 18 18 VAL HG11 H 1 0.811 0.02 . 2 . . . A 204 VAL HG11 . 17911 1 172 . 1 1 18 18 VAL HG12 H 1 0.811 0.02 . 2 . . . A 204 VAL HG12 . 17911 1 173 . 1 1 18 18 VAL HG13 H 1 0.811 0.02 . 2 . . . A 204 VAL HG13 . 17911 1 174 . 1 1 18 18 VAL HG21 H 1 1.132 0.02 . 2 . . . A 204 VAL HG21 . 17911 1 175 . 1 1 18 18 VAL HG22 H 1 1.132 0.02 . 2 . . . A 204 VAL HG22 . 17911 1 176 . 1 1 18 18 VAL HG23 H 1 1.132 0.02 . 2 . . . A 204 VAL HG23 . 17911 1 177 . 1 1 18 18 VAL CA C 13 66.236 0.2 . 1 . . . A 204 VAL CA . 17911 1 178 . 1 1 18 18 VAL CB C 13 31.605 0.2 . 1 . . . A 204 VAL CB . 17911 1 179 . 1 1 18 18 VAL CG1 C 13 21.778 0.2 . 1 . . . A 204 VAL CG1 . 17911 1 180 . 1 1 18 18 VAL CG2 C 13 23.256 0.2 . 1 . . . A 204 VAL CG2 . 17911 1 181 . 1 1 18 18 VAL N N 15 123.434 0.2 . 1 . . . A 204 VAL N . 17911 1 182 . 1 1 19 19 LEU H H 1 8.573 0.02 . 1 . . . A 205 LEU H . 17911 1 183 . 1 1 19 19 LEU HA H 1 3.945 0.02 . 1 . . . A 205 LEU HA . 17911 1 184 . 1 1 19 19 LEU HB2 H 1 1.188 0.02 . 2 . . . A 205 LEU HB2 . 17911 1 185 . 1 1 19 19 LEU HB3 H 1 2.137 0.02 . 2 . . . A 205 LEU HB3 . 17911 1 186 . 1 1 19 19 LEU HG H 1 1.681 0.02 . 1 . . . A 205 LEU HG . 17911 1 187 . 1 1 19 19 LEU HD11 H 1 0.628 0.02 . 2 . . . A 205 LEU HD11 . 17911 1 188 . 1 1 19 19 LEU HD12 H 1 0.628 0.02 . 2 . . . A 205 LEU HD12 . 17911 1 189 . 1 1 19 19 LEU HD13 H 1 0.628 0.02 . 2 . . . A 205 LEU HD13 . 17911 1 190 . 1 1 19 19 LEU HD21 H 1 0.621 0.02 . 2 . . . A 205 LEU HD21 . 17911 1 191 . 1 1 19 19 LEU HD22 H 1 0.621 0.02 . 2 . . . A 205 LEU HD22 . 17911 1 192 . 1 1 19 19 LEU HD23 H 1 0.621 0.02 . 2 . . . A 205 LEU HD23 . 17911 1 193 . 1 1 19 19 LEU CA C 13 58.408 0.2 . 1 . . . A 205 LEU CA . 17911 1 194 . 1 1 19 19 LEU CB C 13 42.918 0.2 . 1 . . . A 205 LEU CB . 17911 1 195 . 1 1 19 19 LEU CG C 13 27.450 0.2 . 1 . . . A 205 LEU CG . 17911 1 196 . 1 1 19 19 LEU CD1 C 13 28.352 0.2 . 1 . . . A 205 LEU CD1 . 17911 1 197 . 1 1 19 19 LEU CD2 C 13 24.356 0.2 . 1 . . . A 205 LEU CD2 . 17911 1 198 . 1 1 19 19 LEU N N 15 117.301 0.2 . 1 . . . A 205 LEU N . 17911 1 199 . 1 1 20 20 ALA H H 1 8.188 0.02 . 1 . . . A 206 ALA H . 17911 1 200 . 1 1 20 20 ALA HA H 1 4.012 0.02 . 1 . . . A 206 ALA HA . 17911 1 201 . 1 1 20 20 ALA HB1 H 1 1.436 0.02 . 1 . . . A 206 ALA HB1 . 17911 1 202 . 1 1 20 20 ALA HB2 H 1 1.436 0.02 . 1 . . . A 206 ALA HB2 . 17911 1 203 . 1 1 20 20 ALA HB3 H 1 1.436 0.02 . 1 . . . A 206 ALA HB3 . 17911 1 204 . 1 1 20 20 ALA CA C 13 56.195 0.2 . 1 . . . A 206 ALA CA . 17911 1 205 . 1 1 20 20 ALA CB C 13 17.911 0.2 . 1 . . . A 206 ALA CB . 17911 1 206 . 1 1 20 20 ALA N N 15 120.290 0.2 . 1 . . . A 206 ALA N . 17911 1 207 . 1 1 21 21 TRP H H 1 8.406 0.02 . 1 . . . A 207 TRP H . 17911 1 208 . 1 1 21 21 TRP HA H 1 4.110 0.02 . 1 . . . A 207 TRP HA . 17911 1 209 . 1 1 21 21 TRP HB2 H 1 3.835 0.02 . 2 . . . A 207 TRP HB2 . 17911 1 210 . 1 1 21 21 TRP HB3 H 1 3.505 0.02 . 2 . . . A 207 TRP HB3 . 17911 1 211 . 1 1 21 21 TRP HD1 H 1 6.809 0.02 . 1 . . . A 207 TRP HD1 . 17911 1 212 . 1 1 21 21 TRP HE1 H 1 10.404 0.02 . 1 . . . A 207 TRP HE1 . 17911 1 213 . 1 1 21 21 TRP HE3 H 1 7.703 0.02 . 1 . . . A 207 TRP HE3 . 17911 1 214 . 1 1 21 21 TRP HZ2 H 1 7.641 0.02 . 1 . . . A 207 TRP HZ2 . 17911 1 215 . 1 1 21 21 TRP HZ3 H 1 7.185 0.02 . 1 . . . A 207 TRP HZ3 . 17911 1 216 . 1 1 21 21 TRP HH2 H 1 7.972 0.02 . 1 . . . A 207 TRP HH2 . 17911 1 217 . 1 1 21 21 TRP CA C 13 61.224 0.2 . 1 . . . A 207 TRP CA . 17911 1 218 . 1 1 21 21 TRP CB C 13 28.712 0.2 . 1 . . . A 207 TRP CB . 17911 1 219 . 1 1 21 21 TRP N N 15 121.219 0.2 . 1 . . . A 207 TRP N . 17911 1 220 . 1 1 21 21 TRP NE1 N 15 129.929 0.2 . 1 . . . A 207 TRP NE1 . 17911 1 221 . 1 1 22 22 LEU H H 1 8.620 0.02 . 1 . . . A 208 LEU H . 17911 1 222 . 1 1 22 22 LEU HA H 1 3.517 0.02 . 1 . . . A 208 LEU HA . 17911 1 223 . 1 1 22 22 LEU HB2 H 1 1.902 0.02 . 2 . . . A 208 LEU HB2 . 17911 1 224 . 1 1 22 22 LEU HB3 H 1 1.376 0.02 . 2 . . . A 208 LEU HB3 . 17911 1 225 . 1 1 22 22 LEU HG H 1 1.991 0.02 . 1 . . . A 208 LEU HG . 17911 1 226 . 1 1 22 22 LEU HD11 H 1 -0.220 0.02 . 2 . . . A 208 LEU HD11 . 17911 1 227 . 1 1 22 22 LEU HD12 H 1 -0.220 0.02 . 2 . . . A 208 LEU HD12 . 17911 1 228 . 1 1 22 22 LEU HD13 H 1 -0.220 0.02 . 2 . . . A 208 LEU HD13 . 17911 1 229 . 1 1 22 22 LEU HD21 H 1 0.540 0.02 . 2 . . . A 208 LEU HD21 . 17911 1 230 . 1 1 22 22 LEU HD22 H 1 0.540 0.02 . 2 . . . A 208 LEU HD22 . 17911 1 231 . 1 1 22 22 LEU HD23 H 1 0.540 0.02 . 2 . . . A 208 LEU HD23 . 17911 1 232 . 1 1 22 22 LEU CA C 13 57.897 0.2 . 1 . . . A 208 LEU CA . 17911 1 233 . 1 1 22 22 LEU CB C 13 40.880 0.2 . 1 . . . A 208 LEU CB . 17911 1 234 . 1 1 22 22 LEU CG C 13 26.506 0.2 . 1 . . . A 208 LEU CG . 17911 1 235 . 1 1 22 22 LEU CD1 C 13 22.293 0.2 . 1 . . . A 208 LEU CD1 . 17911 1 236 . 1 1 22 22 LEU CD2 C 13 26.506 0.2 . 1 . . . A 208 LEU CD2 . 17911 1 237 . 1 1 23 23 TYR H H 1 8.368 0.02 . 1 . . . A 209 TYR H . 17911 1 238 . 1 1 23 23 TYR HA H 1 3.956 0.02 . 1 . . . A 209 TYR HA . 17911 1 239 . 1 1 23 23 TYR HB2 H 1 3.360 0.02 . 2 . . . A 209 TYR HB2 . 17911 1 240 . 1 1 23 23 TYR HB3 H 1 2.632 0.02 . 2 . . . A 209 TYR HB3 . 17911 1 241 . 1 1 23 23 TYR HD1 H 1 7.100 0.02 . 3 . . . A 209 TYR HD1 . 17911 1 242 . 1 1 23 23 TYR HE1 H 1 6.750 0.02 . 3 . . . A 209 TYR HE1 . 17911 1 243 . 1 1 23 23 TYR HH H 1 7.358 0.02 . 1 . . . A 209 TYR HH . 17911 1 244 . 1 1 23 23 TYR CA C 13 64.704 0.2 . 1 . . . A 209 TYR CA . 17911 1 245 . 1 1 23 23 TYR CB C 13 38.793 0.2 . 1 . . . A 209 TYR CB . 17911 1 246 . 1 1 23 23 TYR N N 15 117.656 0.2 . 1 . . . A 209 TYR N . 17911 1 247 . 1 1 24 24 ALA H H 1 8.461 0.02 . 1 . . . A 210 ALA H . 17911 1 248 . 1 1 24 24 ALA HA H 1 3.837 0.02 . 1 . . . A 210 ALA HA . 17911 1 249 . 1 1 24 24 ALA HB1 H 1 1.384 0.02 . 1 . . . A 210 ALA HB1 . 17911 1 250 . 1 1 24 24 ALA HB2 H 1 1.384 0.02 . 1 . . . A 210 ALA HB2 . 17911 1 251 . 1 1 24 24 ALA HB3 H 1 1.384 0.02 . 1 . . . A 210 ALA HB3 . 17911 1 252 . 1 1 24 24 ALA CA C 13 55.036 0.2 . 1 . . . A 210 ALA CA . 17911 1 253 . 1 1 24 24 ALA CB C 13 17.311 0.2 . 1 . . . A 210 ALA CB . 17911 1 254 . 1 1 24 24 ALA N N 15 122.658 0.2 . 1 . . . A 210 ALA N . 17911 1 255 . 1 1 25 25 ALA H H 1 8.564 0.02 . 1 . . . A 211 ALA H . 17911 1 256 . 1 1 25 25 ALA HA H 1 3.761 0.02 . 1 . . . A 211 ALA HA . 17911 1 257 . 1 1 25 25 ALA HB1 H 1 1.347 0.02 . 1 . . . A 211 ALA HB1 . 17911 1 258 . 1 1 25 25 ALA HB2 H 1 1.347 0.02 . 1 . . . A 211 ALA HB2 . 17911 1 259 . 1 1 25 25 ALA HB3 H 1 1.347 0.02 . 1 . . . A 211 ALA HB3 . 17911 1 260 . 1 1 25 25 ALA CA C 13 55.551 0.2 . 1 . . . A 211 ALA CA . 17911 1 261 . 1 1 25 25 ALA CB C 13 17.992 0.2 . 1 . . . A 211 ALA CB . 17911 1 262 . 1 1 25 25 ALA N N 15 123.868 0.2 . 1 . . . A 211 ALA N . 17911 1 263 . 1 1 26 26 VAL H H 1 8.008 0.02 . 1 . . . A 212 VAL H . 17911 1 264 . 1 1 26 26 VAL HA H 1 3.487 0.02 . 1 . . . A 212 VAL HA . 17911 1 265 . 1 1 26 26 VAL HB H 1 2.300 0.02 . 1 . . . A 212 VAL HB . 17911 1 266 . 1 1 26 26 VAL HG11 H 1 0.845 0.02 . 2 . . . A 212 VAL HG11 . 17911 1 267 . 1 1 26 26 VAL HG12 H 1 0.845 0.02 . 2 . . . A 212 VAL HG12 . 17911 1 268 . 1 1 26 26 VAL HG13 H 1 0.845 0.02 . 2 . . . A 212 VAL HG13 . 17911 1 269 . 1 1 26 26 VAL HG21 H 1 1.025 0.02 . 2 . . . A 212 VAL HG21 . 17911 1 270 . 1 1 26 26 VAL HG22 H 1 1.025 0.02 . 2 . . . A 212 VAL HG22 . 17911 1 271 . 1 1 26 26 VAL HG23 H 1 1.025 0.02 . 2 . . . A 212 VAL HG23 . 17911 1 272 . 1 1 26 26 VAL CA C 13 66.576 0.2 . 1 . . . A 212 VAL CA . 17911 1 273 . 1 1 26 26 VAL CB C 13 31.575 0.2 . 1 . . . A 212 VAL CB . 17911 1 274 . 1 1 26 26 VAL CG1 C 13 21.531 0.2 . 1 . . . A 212 VAL CG1 . 17911 1 275 . 1 1 26 26 VAL CG2 C 13 23.809 0.2 . 1 . . . A 212 VAL CG2 . 17911 1 276 . 1 1 26 26 VAL N N 15 119.783 0.2 . 1 . . . A 212 VAL N . 17911 1 277 . 1 1 27 27 ILE H H 1 8.576 0.02 . 1 . . . A 213 ILE H . 17911 1 278 . 1 1 27 27 ILE HA H 1 3.559 0.02 . 1 . . . A 213 ILE HA . 17911 1 279 . 1 1 27 27 ILE HB H 1 1.886 0.02 . 1 . . . A 213 ILE HB . 17911 1 280 . 1 1 27 27 ILE HG12 H 1 1.718 0.02 . 1 . . . A 213 ILE HG12 . 17911 1 281 . 1 1 27 27 ILE HG13 H 1 0.850 0.02 . 1 . . . A 213 ILE HG13 . 17911 1 282 . 1 1 27 27 ILE HG21 H 1 0.825 0.02 . 1 . . . A 213 ILE HG21 . 17911 1 283 . 1 1 27 27 ILE HG22 H 1 0.825 0.02 . 1 . . . A 213 ILE HG22 . 17911 1 284 . 1 1 27 27 ILE HG23 H 1 0.825 0.02 . 1 . . . A 213 ILE HG23 . 17911 1 285 . 1 1 27 27 ILE HD11 H 1 0.635 0.02 . 1 . . . A 213 ILE HD11 . 17911 1 286 . 1 1 27 27 ILE HD12 H 1 0.635 0.02 . 1 . . . A 213 ILE HD12 . 17911 1 287 . 1 1 27 27 ILE HD13 H 1 0.635 0.02 . 1 . . . A 213 ILE HD13 . 17911 1 288 . 1 1 27 27 ILE CA C 13 65.526 0.2 . 1 . . . A 213 ILE CA . 17911 1 289 . 1 1 27 27 ILE CB C 13 37.902 0.2 . 1 . . . A 213 ILE CB . 17911 1 290 . 1 1 27 27 ILE CG1 C 13 31.059 0.2 . 1 . . . A 213 ILE CG1 . 17911 1 291 . 1 1 27 27 ILE CG2 C 13 16.869 0.2 . 1 . . . A 213 ILE CG2 . 17911 1 292 . 1 1 27 27 ILE CD1 C 13 13.528 0.2 . 1 . . . A 213 ILE CD1 . 17911 1 293 . 1 1 27 27 ILE N N 15 124.428 0.2 . 1 . . . A 213 ILE N . 17911 1 294 . 1 1 28 28 ASN H H 1 7.714 0.02 . 1 . . . A 214 ASN H . 17911 1 295 . 1 1 28 28 ASN HA H 1 4.565 0.02 . 1 . . . A 214 ASN HA . 17911 1 296 . 1 1 28 28 ASN HB2 H 1 2.869 0.02 . 2 . . . A 214 ASN HB2 . 17911 1 297 . 1 1 28 28 ASN HB3 H 1 2.654 0.02 . 2 . . . A 214 ASN HB3 . 17911 1 298 . 1 1 28 28 ASN HD21 H 1 7.384 0.02 . 2 . . . A 214 ASN HD21 . 17911 1 299 . 1 1 28 28 ASN HD22 H 1 7.074 0.02 . 2 . . . A 214 ASN HD22 . 17911 1 300 . 1 1 28 28 ASN CA C 13 54.579 0.2 . 1 . . . A 214 ASN CA . 17911 1 301 . 1 1 28 28 ASN CB C 13 40.340 0.2 . 1 . . . A 214 ASN CB . 17911 1 302 . 1 1 28 28 ASN N N 15 116.563 0.2 . 1 . . . A 214 ASN N . 17911 1 303 . 1 1 28 28 ASN ND2 N 15 113.619 0.2 . 1 . . . A 214 ASN ND2 . 17911 1 304 . 1 1 29 29 GLY H H 1 7.861 0.02 . 1 . . . A 215 GLY H . 17911 1 305 . 1 1 29 29 GLY HA2 H 1 4.331 0.02 . 2 . . . A 215 GLY HA2 . 17911 1 306 . 1 1 29 29 GLY HA3 H 1 3.566 0.02 . 2 . . . A 215 GLY HA3 . 17911 1 307 . 1 1 29 29 GLY CA C 13 45.683 0.2 . 1 . . . A 215 GLY CA . 17911 1 308 . 1 1 29 29 GLY N N 15 107.004 0.2 . 1 . . . A 215 GLY N . 17911 1 309 . 1 1 30 30 ASP H H 1 8.560 0.02 . 1 . . . A 216 ASP H . 17911 1 310 . 1 1 30 30 ASP HA H 1 5.019 0.02 . 1 . . . A 216 ASP HA . 17911 1 311 . 1 1 30 30 ASP HB2 H 1 2.718 0.02 . 2 . . . A 216 ASP HB2 . 17911 1 312 . 1 1 30 30 ASP HB3 H 1 2.437 0.02 . 2 . . . A 216 ASP HB3 . 17911 1 313 . 1 1 30 30 ASP CA C 13 53.643 0.2 . 1 . . . A 216 ASP CA . 17911 1 314 . 1 1 30 30 ASP CB C 13 41.561 0.2 . 1 . . . A 216 ASP CB . 17911 1 315 . 1 1 30 30 ASP N N 15 125.780 0.2 . 1 . . . A 216 ASP N . 17911 1 316 . 1 1 31 31 ARG H H 1 7.984 0.02 . 1 . . . A 217 ARG H . 17911 1 317 . 1 1 31 31 ARG HA H 1 3.711 0.02 . 1 . . . A 217 ARG HA . 17911 1 318 . 1 1 31 31 ARG HB2 H 1 1.589 0.02 . 2 . . . A 217 ARG HB2 . 17911 1 319 . 1 1 31 31 ARG HB3 H 1 1.486 0.02 . 2 . . . A 217 ARG HB3 . 17911 1 320 . 1 1 31 31 ARG HG2 H 1 1.295 0.02 . 2 . . . A 217 ARG HG2 . 17911 1 321 . 1 1 31 31 ARG HG3 H 1 1.225 0.02 . 2 . . . A 217 ARG HG3 . 17911 1 322 . 1 1 31 31 ARG HD2 H 1 3.013 0.02 . 2 . . . A 217 ARG HD2 . 17911 1 323 . 1 1 31 31 ARG HD3 H 1 3.093 0.02 . 2 . . . A 217 ARG HD3 . 17911 1 324 . 1 1 31 31 ARG CA C 13 54.520 0.2 . 1 . . . A 217 ARG CA . 17911 1 325 . 1 1 31 31 ARG CB C 13 32.116 0.2 . 1 . . . A 217 ARG CB . 17911 1 326 . 1 1 31 31 ARG CG C 13 27.293 0.2 . 1 . . . A 217 ARG CG . 17911 1 327 . 1 1 31 31 ARG CD C 13 43.434 0.2 . 1 . . . A 217 ARG CD . 17911 1 328 . 1 1 31 31 ARG N N 15 115.297 0.2 . 1 . . . A 217 ARG N . 17911 1 329 . 1 1 32 32 TRP H H 1 7.368 0.02 . 1 . . . A 218 TRP H . 17911 1 330 . 1 1 32 32 TRP HA H 1 4.120 0.02 . 1 . . . A 218 TRP HA . 17911 1 331 . 1 1 32 32 TRP HB2 H 1 3.459 0.02 . 2 . . . A 218 TRP HB2 . 17911 1 332 . 1 1 32 32 TRP HB3 H 1 3.281 0.02 . 2 . . . A 218 TRP HB3 . 17911 1 333 . 1 1 32 32 TRP HD1 H 1 7.714 0.02 . 1 . . . A 218 TRP HD1 . 17911 1 334 . 1 1 32 32 TRP HE1 H 1 10.242 0.02 . 1 . . . A 218 TRP HE1 . 17911 1 335 . 1 1 32 32 TRP HZ2 H 1 7.107 0.02 . 1 . . . A 218 TRP HZ2 . 17911 1 336 . 1 1 32 32 TRP HZ3 H 1 7.029 0.02 . 1 . . . A 218 TRP HZ3 . 17911 1 337 . 1 1 32 32 TRP HH2 H 1 6.783 0.02 . 1 . . . A 218 TRP HH2 . 17911 1 338 . 1 1 32 32 TRP CA C 13 58.387 0.2 . 1 . . . A 218 TRP CA . 17911 1 339 . 1 1 32 32 TRP CB C 13 28.372 0.2 . 1 . . . A 218 TRP CB . 17911 1 340 . 1 1 32 32 TRP N N 15 119.754 0.2 . 1 . . . A 218 TRP N . 17911 1 341 . 1 1 32 32 TRP NE1 N 15 129.482 0.2 . 1 . . . A 218 TRP NE1 . 17911 1 342 . 1 1 33 33 PHE HA H 1 3.919 0.02 . 1 . . . A 219 PHE HA . 17911 1 343 . 1 1 33 33 PHE HB2 H 1 2.624 0.02 . 2 . . . A 219 PHE HB2 . 17911 1 344 . 1 1 33 33 PHE HB3 H 1 0.502 0.02 . 2 . . . A 219 PHE HB3 . 17911 1 345 . 1 1 33 33 PHE HD1 H 1 5.174 0.02 . 3 . . . A 219 PHE HD1 . 17911 1 346 . 1 1 33 33 PHE HE1 H 1 5.700 0.02 . 3 . . . A 219 PHE HE1 . 17911 1 347 . 1 1 33 33 PHE HZ H 1 7.196 0.02 . 1 . . . A 219 PHE HZ . 17911 1 348 . 1 1 33 33 PHE CA C 13 55.315 0.2 . 1 . . . A 219 PHE CA . 17911 1 349 . 1 1 33 33 PHE CB C 13 37.277 0.2 . 1 . . . A 219 PHE CB . 17911 1 350 . 1 1 34 34 LEU H H 1 6.447 0.02 . 1 . . . A 220 LEU H . 17911 1 351 . 1 1 34 34 LEU HA H 1 3.931 0.02 . 1 . . . A 220 LEU HA . 17911 1 352 . 1 1 34 34 LEU HB2 H 1 1.435 0.02 . 2 . . . A 220 LEU HB2 . 17911 1 353 . 1 1 34 34 LEU HB3 H 1 1.289 0.02 . 2 . . . A 220 LEU HB3 . 17911 1 354 . 1 1 34 34 LEU HG H 1 0.665 0.02 . 1 . . . A 220 LEU HG . 17911 1 355 . 1 1 34 34 LEU HD11 H 1 0.550 0.02 . 2 . . . A 220 LEU HD11 . 17911 1 356 . 1 1 34 34 LEU HD12 H 1 0.550 0.02 . 2 . . . A 220 LEU HD12 . 17911 1 357 . 1 1 34 34 LEU HD13 H 1 0.550 0.02 . 2 . . . A 220 LEU HD13 . 17911 1 358 . 1 1 34 34 LEU CA C 13 55.315 0.2 . 1 . . . A 220 LEU CA . 17911 1 359 . 1 1 34 34 LEU CB C 13 40.790 0.2 . 1 . . . A 220 LEU CB . 17911 1 360 . 1 1 34 34 LEU CG C 13 25.645 0.2 . 1 . . . A 220 LEU CG . 17911 1 361 . 1 1 34 34 LEU CD1 C 13 22.550 0.2 . 1 . . . A 220 LEU CD1 . 17911 1 362 . 1 1 34 34 LEU N N 15 122.632 0.2 . 1 . . . A 220 LEU N . 17911 1 363 . 1 1 35 35 ASN H H 1 8.105 0.02 . 1 . . . A 221 ASN H . 17911 1 364 . 1 1 35 35 ASN HA H 1 4.709 0.02 . 1 . . . A 221 ASN HA . 17911 1 365 . 1 1 35 35 ASN HB2 H 1 2.586 0.02 . 2 . . . A 221 ASN HB2 . 17911 1 366 . 1 1 35 35 ASN HD21 H 1 6.253 0.02 . 2 . . . A 221 ASN HD21 . 17911 1 367 . 1 1 35 35 ASN HD22 H 1 7.753 0.02 . 2 . . . A 221 ASN HD22 . 17911 1 368 . 1 1 35 35 ASN CA C 13 52.026 0.2 . 1 . . . A 221 ASN CA . 17911 1 369 . 1 1 35 35 ASN CB C 13 40.598 0.2 . 1 . . . A 221 ASN CB . 17911 1 370 . 1 1 35 35 ASN N N 15 119.503 0.2 . 1 . . . A 221 ASN N . 17911 1 371 . 1 1 35 35 ASN ND2 N 15 112.837 0.2 . 1 . . . A 221 ASN ND2 . 17911 1 372 . 1 1 36 36 ARG H H 1 8.099 0.02 . 1 . . . A 222 ARG H . 17911 1 373 . 1 1 36 36 ARG HA H 1 4.293 0.02 . 1 . . . A 222 ARG HA . 17911 1 374 . 1 1 36 36 ARG HB2 H 1 1.751 0.02 . 2 . . . A 222 ARG HB2 . 17911 1 375 . 1 1 36 36 ARG HB3 H 1 1.451 0.02 . 2 . . . A 222 ARG HB3 . 17911 1 376 . 1 1 36 36 ARG HG2 H 1 1.252 0.02 . 2 . . . A 222 ARG HG2 . 17911 1 377 . 1 1 36 36 ARG HD2 H 1 3.004 0.02 . 2 . . . A 222 ARG HD2 . 17911 1 378 . 1 1 36 36 ARG CA C 13 55.600 0.2 . 1 . . . A 222 ARG CA . 17911 1 379 . 1 1 36 36 ARG CB C 13 28.997 0.2 . 1 . . . A 222 ARG CB . 17911 1 380 . 1 1 36 36 ARG CG C 13 26.757 0.2 . 1 . . . A 222 ARG CG . 17911 1 381 . 1 1 36 36 ARG CD C 13 43.176 0.2 . 1 . . . A 222 ARG CD . 17911 1 382 . 1 1 36 36 ARG N N 15 116.408 0.2 . 1 . . . A 222 ARG N . 17911 1 383 . 1 1 37 37 PHE H H 1 7.842 0.02 . 1 . . . A 223 PHE H . 17911 1 384 . 1 1 37 37 PHE HA H 1 4.813 0.02 . 1 . . . A 223 PHE HA . 17911 1 385 . 1 1 37 37 PHE HB2 H 1 3.275 0.02 . 2 . . . A 223 PHE HB2 . 17911 1 386 . 1 1 37 37 PHE HB3 H 1 2.842 0.02 . 2 . . . A 223 PHE HB3 . 17911 1 387 . 1 1 37 37 PHE HD1 H 1 7.197 0.02 . 3 . . . A 223 PHE HD1 . 17911 1 388 . 1 1 37 37 PHE HE1 H 1 6.255 0.02 . 3 . . . A 223 PHE HE1 . 17911 1 389 . 1 1 37 37 PHE CA C 13 56.081 0.2 . 1 . . . A 223 PHE CA . 17911 1 390 . 1 1 37 37 PHE CB C 13 40.085 0.2 . 1 . . . A 223 PHE CB . 17911 1 391 . 1 1 37 37 PHE N N 15 120.398 0.2 . 1 . . . A 223 PHE N . 17911 1 392 . 1 1 38 38 THR H H 1 8.231 0.02 . 1 . . . A 224 THR H . 17911 1 393 . 1 1 38 38 THR HA H 1 4.653 0.02 . 1 . . . A 224 THR HA . 17911 1 394 . 1 1 38 38 THR HB H 1 3.995 0.02 . 1 . . . A 224 THR HB . 17911 1 395 . 1 1 38 38 THR HG21 H 1 1.096 0.02 . 1 . . . A 224 THR HG21 . 17911 1 396 . 1 1 38 38 THR HG22 H 1 1.096 0.02 . 1 . . . A 224 THR HG22 . 17911 1 397 . 1 1 38 38 THR HG23 H 1 1.096 0.02 . 1 . . . A 224 THR HG23 . 17911 1 398 . 1 1 38 38 THR CA C 13 60.708 0.2 . 1 . . . A 224 THR CA . 17911 1 399 . 1 1 38 38 THR CB C 13 71.000 0.2 . 1 . . . A 224 THR CB . 17911 1 400 . 1 1 38 38 THR CG2 C 13 19.973 0.2 . 1 . . . A 224 THR CG2 . 17911 1 401 . 1 1 38 38 THR N N 15 112.040 0.2 . 1 . . . A 224 THR N . 17911 1 402 . 1 1 39 39 THR H H 1 8.107 0.02 . 1 . . . A 225 THR H . 17911 1 403 . 1 1 39 39 THR HA H 1 4.925 0.02 . 1 . . . A 225 THR HA . 17911 1 404 . 1 1 39 39 THR HB H 1 4.026 0.02 . 1 . . . A 225 THR HB . 17911 1 405 . 1 1 39 39 THR HG21 H 1 1.094 0.02 . 1 . . . A 225 THR HG21 . 17911 1 406 . 1 1 39 39 THR HG22 H 1 1.094 0.02 . 1 . . . A 225 THR HG22 . 17911 1 407 . 1 1 39 39 THR HG23 H 1 1.094 0.02 . 1 . . . A 225 THR HG23 . 17911 1 408 . 1 1 39 39 THR CA C 13 59.677 0.2 . 1 . . . A 225 THR CA . 17911 1 409 . 1 1 39 39 THR CB C 13 69.989 0.2 . 1 . . . A 225 THR CB . 17911 1 410 . 1 1 39 39 THR CG2 C 13 19.715 0.2 . 1 . . . A 225 THR CG2 . 17911 1 411 . 1 1 39 39 THR N N 15 116.627 0.2 . 1 . . . A 225 THR N . 17911 1 412 . 1 1 40 40 THR H H 1 8.481 0.02 . 1 . . . A 226 THR H . 17911 1 413 . 1 1 40 40 THR HA H 1 4.727 0.02 . 1 . . . A 226 THR HA . 17911 1 414 . 1 1 40 40 THR HB H 1 4.572 0.02 . 1 . . . A 226 THR HB . 17911 1 415 . 1 1 40 40 THR HG21 H 1 1.268 0.02 . 1 . . . A 226 THR HG21 . 17911 1 416 . 1 1 40 40 THR HG22 H 1 1.268 0.02 . 1 . . . A 226 THR HG22 . 17911 1 417 . 1 1 40 40 THR HG23 H 1 1.268 0.02 . 1 . . . A 226 THR HG23 . 17911 1 418 . 1 1 40 40 THR CA C 13 59.740 0.2 . 1 . . . A 226 THR CA . 17911 1 419 . 1 1 40 40 THR CB C 13 72.052 0.2 . 1 . . . A 226 THR CB . 17911 1 420 . 1 1 40 40 THR CG2 C 13 21.778 0.2 . 1 . . . A 226 THR CG2 . 17911 1 421 . 1 1 40 40 THR N N 15 111.263 0.2 . 1 . . . A 226 THR N . 17911 1 422 . 1 1 41 41 LEU H H 1 9.259 0.02 . 1 . . . A 227 LEU H . 17911 1 423 . 1 1 41 41 LEU HA H 1 3.986 0.02 . 1 . . . A 227 LEU HA . 17911 1 424 . 1 1 41 41 LEU HB2 H 1 1.654 0.02 . 2 . . . A 227 LEU HB2 . 17911 1 425 . 1 1 41 41 LEU HG H 1 1.673 0.02 . 1 . . . A 227 LEU HG . 17911 1 426 . 1 1 41 41 LEU HD11 H 1 0.734 0.02 . 2 . . . A 227 LEU HD11 . 17911 1 427 . 1 1 41 41 LEU HD12 H 1 0.734 0.02 . 2 . . . A 227 LEU HD12 . 17911 1 428 . 1 1 41 41 LEU HD13 H 1 0.734 0.02 . 2 . . . A 227 LEU HD13 . 17911 1 429 . 1 1 41 41 LEU HD21 H 1 0.805 0.02 . 2 . . . A 227 LEU HD21 . 17911 1 430 . 1 1 41 41 LEU HD22 H 1 0.805 0.02 . 2 . . . A 227 LEU HD22 . 17911 1 431 . 1 1 41 41 LEU HD23 H 1 0.805 0.02 . 2 . . . A 227 LEU HD23 . 17911 1 432 . 1 1 41 41 LEU CA C 13 58.903 0.2 . 1 . . . A 227 LEU CA . 17911 1 433 . 1 1 41 41 LEU CB C 13 41.561 0.2 . 1 . . . A 227 LEU CB . 17911 1 434 . 1 1 41 41 LEU CG C 13 26.934 0.2 . 1 . . . A 227 LEU CG . 17911 1 435 . 1 1 41 41 LEU CD1 C 13 24.396 0.2 . 1 . . . A 227 LEU CD1 . 17911 1 436 . 1 1 41 41 LEU CD2 C 13 24.396 0.2 . 1 . . . A 227 LEU CD2 . 17911 1 437 . 1 1 41 41 LEU N N 15 123.989 0.2 . 1 . . . A 227 LEU N . 17911 1 438 . 1 1 42 42 ASN H H 1 8.598 0.02 . 1 . . . A 228 ASN H . 17911 1 439 . 1 1 42 42 ASN HA H 1 4.435 0.02 . 1 . . . A 228 ASN HA . 17911 1 440 . 1 1 42 42 ASN HB2 H 1 2.726 0.02 . 2 . . . A 228 ASN HB2 . 17911 1 441 . 1 1 42 42 ASN HD21 H 1 6.993 0.02 . 2 . . . A 228 ASN HD21 . 17911 1 442 . 1 1 42 42 ASN HD22 H 1 7.666 0.02 . 2 . . . A 228 ASN HD22 . 17911 1 443 . 1 1 42 42 ASN CA C 13 56.961 0.2 . 1 . . . A 228 ASN CA . 17911 1 444 . 1 1 42 42 ASN CB C 13 38.497 0.2 . 1 . . . A 228 ASN CB . 17911 1 445 . 1 1 42 42 ASN N N 15 115.183 0.2 . 1 . . . A 228 ASN N . 17911 1 446 . 1 1 42 42 ASN ND2 N 15 112.949 0.2 . 1 . . . A 228 ASN ND2 . 17911 1 447 . 1 1 43 43 ASP H H 1 7.847 0.02 . 1 . . . A 229 ASP H . 17911 1 448 . 1 1 43 43 ASP HA H 1 4.367 0.02 . 1 . . . A 229 ASP HA . 17911 1 449 . 1 1 43 43 ASP HB2 H 1 2.687 0.02 . 2 . . . A 229 ASP HB2 . 17911 1 450 . 1 1 43 43 ASP HB3 H 1 2.572 0.02 . 2 . . . A 229 ASP HB3 . 17911 1 451 . 1 1 43 43 ASP CA C 13 57.387 0.2 . 1 . . . A 229 ASP CA . 17911 1 452 . 1 1 43 43 ASP CB C 13 40.625 0.2 . 1 . . . A 229 ASP CB . 17911 1 453 . 1 1 43 43 ASP N N 15 118.746 0.2 . 1 . . . A 229 ASP N . 17911 1 454 . 1 1 44 44 PHE H H 1 8.547 0.02 . 1 . . . A 230 PHE H . 17911 1 455 . 1 1 44 44 PHE HA H 1 3.808 0.02 . 1 . . . A 230 PHE HA . 17911 1 456 . 1 1 44 44 PHE HB2 H 1 3.164 0.02 . 2 . . . A 230 PHE HB2 . 17911 1 457 . 1 1 44 44 PHE HB3 H 1 3.059 0.02 . 2 . . . A 230 PHE HB3 . 17911 1 458 . 1 1 44 44 PHE HD2 H 1 7.143 0.02 . 3 . . . A 230 PHE HD2 . 17911 1 459 . 1 1 44 44 PHE HE2 H 1 7.088 0.02 . 3 . . . A 230 PHE HE2 . 17911 1 460 . 1 1 44 44 PHE HZ H 1 7.890 0.02 . 1 . . . A 230 PHE HZ . 17911 1 461 . 1 1 44 44 PHE CA C 13 62.747 0.2 . 1 . . . A 230 PHE CA . 17911 1 462 . 1 1 44 44 PHE CB C 13 38.753 0.2 . 1 . . . A 230 PHE CB . 17911 1 463 . 1 1 44 44 PHE N N 15 120.193 0.2 . 1 . . . A 230 PHE N . 17911 1 464 . 1 1 45 45 ASN H H 1 8.727 0.02 . 1 . . . A 231 ASN H . 17911 1 465 . 1 1 45 45 ASN HA H 1 4.472 0.02 . 1 . . . A 231 ASN HA . 17911 1 466 . 1 1 45 45 ASN HB2 H 1 2.986 0.02 . 2 . . . A 231 ASN HB2 . 17911 1 467 . 1 1 45 45 ASN HB3 H 1 2.677 0.02 . 2 . . . A 231 ASN HB3 . 17911 1 468 . 1 1 45 45 ASN HD21 H 1 7.602 0.02 . 2 . . . A 231 ASN HD21 . 17911 1 469 . 1 1 45 45 ASN HD22 H 1 7.808 0.02 . 2 . . . A 231 ASN HD22 . 17911 1 470 . 1 1 45 45 ASN CA C 13 55.344 0.2 . 1 . . . A 231 ASN CA . 17911 1 471 . 1 1 45 45 ASN CB C 13 37.391 0.2 . 1 . . . A 231 ASN CB . 17911 1 472 . 1 1 45 45 ASN N N 15 118.852 0.2 . 1 . . . A 231 ASN N . 17911 1 473 . 1 1 45 45 ASN ND2 N 15 109.039 0.2 . 1 . . . A 231 ASN ND2 . 17911 1 474 . 1 1 46 46 LEU H H 1 7.516 0.02 . 1 . . . A 232 LEU H . 17911 1 475 . 1 1 46 46 LEU HA H 1 4.065 0.02 . 1 . . . A 232 LEU HA . 17911 1 476 . 1 1 46 46 LEU HB2 H 1 1.850 0.02 . 2 . . . A 232 LEU HB2 . 17911 1 477 . 1 1 46 46 LEU HB3 H 1 1.501 0.02 . 2 . . . A 232 LEU HB3 . 17911 1 478 . 1 1 46 46 LEU HG H 1 1.795 0.02 . 1 . . . A 232 LEU HG . 17911 1 479 . 1 1 46 46 LEU HD11 H 1 0.891 0.02 . 2 . . . A 232 LEU HD11 . 17911 1 480 . 1 1 46 46 LEU HD12 H 1 0.891 0.02 . 2 . . . A 232 LEU HD12 . 17911 1 481 . 1 1 46 46 LEU HD13 H 1 0.891 0.02 . 2 . . . A 232 LEU HD13 . 17911 1 482 . 1 1 46 46 LEU HD21 H 1 0.837 0.02 . 2 . . . A 232 LEU HD21 . 17911 1 483 . 1 1 46 46 LEU HD22 H 1 0.837 0.02 . 2 . . . A 232 LEU HD22 . 17911 1 484 . 1 1 46 46 LEU HD23 H 1 0.837 0.02 . 2 . . . A 232 LEU HD23 . 17911 1 485 . 1 1 46 46 LEU CA C 13 58.152 0.2 . 1 . . . A 232 LEU CA . 17911 1 486 . 1 1 46 46 LEU CB C 13 42.071 0.2 . 1 . . . A 232 LEU CB . 17911 1 487 . 1 1 46 46 LEU CG C 13 26.763 0.2 . 1 . . . A 232 LEU CG . 17911 1 488 . 1 1 46 46 LEU CD1 C 13 25.084 0.2 . 1 . . . A 232 LEU CD1 . 17911 1 489 . 1 1 46 46 LEU CD2 C 13 23.404 0.2 . 1 . . . A 232 LEU CD2 . 17911 1 490 . 1 1 46 46 LEU N N 15 120.221 0.2 . 1 . . . A 232 LEU N . 17911 1 491 . 1 1 47 47 VAL H H 1 6.987 0.02 . 1 . . . A 233 VAL H . 17911 1 492 . 1 1 47 47 VAL HA H 1 3.604 0.02 . 1 . . . A 233 VAL HA . 17911 1 493 . 1 1 47 47 VAL HB H 1 1.878 0.02 . 1 . . . A 233 VAL HB . 17911 1 494 . 1 1 47 47 VAL HG11 H 1 0.838 0.02 . 2 . . . A 233 VAL HG11 . 17911 1 495 . 1 1 47 47 VAL HG12 H 1 0.838 0.02 . 2 . . . A 233 VAL HG12 . 17911 1 496 . 1 1 47 47 VAL HG13 H 1 0.838 0.02 . 2 . . . A 233 VAL HG13 . 17911 1 497 . 1 1 47 47 VAL HG21 H 1 0.957 0.02 . 2 . . . A 233 VAL HG21 . 17911 1 498 . 1 1 47 47 VAL HG22 H 1 0.957 0.02 . 2 . . . A 233 VAL HG22 . 17911 1 499 . 1 1 47 47 VAL HG23 H 1 0.957 0.02 . 2 . . . A 233 VAL HG23 . 17911 1 500 . 1 1 47 47 VAL CA C 13 65.864 0.2 . 1 . . . A 233 VAL CA . 17911 1 501 . 1 1 47 47 VAL CB C 13 31.575 0.2 . 1 . . . A 233 VAL CB . 17911 1 502 . 1 1 47 47 VAL CG1 C 13 21.530 0.2 . 1 . . . A 233 VAL CG1 . 17911 1 503 . 1 1 47 47 VAL CG2 C 13 22.717 0.2 . 1 . . . A 233 VAL CG2 . 17911 1 504 . 1 1 47 47 VAL N N 15 119.649 0.2 . 1 . . . A 233 VAL N . 17911 1 505 . 1 1 48 48 ALA H H 1 8.480 0.02 . 1 . . . A 234 ALA H . 17911 1 506 . 1 1 48 48 ALA HA H 1 3.451 0.02 . 1 . . . A 234 ALA HA . 17911 1 507 . 1 1 48 48 ALA HB1 H 1 0.953 0.02 . 1 . . . A 234 ALA HB1 . 17911 1 508 . 1 1 48 48 ALA HB2 H 1 0.953 0.02 . 1 . . . A 234 ALA HB2 . 17911 1 509 . 1 1 48 48 ALA HB3 H 1 0.953 0.02 . 1 . . . A 234 ALA HB3 . 17911 1 510 . 1 1 48 48 ALA CA C 13 55.741 0.2 . 1 . . . A 234 ALA CA . 17911 1 511 . 1 1 48 48 ALA CB C 13 16.971 0.2 . 1 . . . A 234 ALA CB . 17911 1 512 . 1 1 48 48 ALA N N 15 122.056 0.2 . 1 . . . A 234 ALA N . 17911 1 513 . 1 1 49 49 MET H H 1 7.950 0.02 . 1 . . . A 235 MET H . 17911 1 514 . 1 1 49 49 MET HA H 1 4.272 0.02 . 1 . . . A 235 MET HA . 17911 1 515 . 1 1 49 49 MET HB2 H 1 2.111 0.02 . 2 . . . A 235 MET HB2 . 17911 1 516 . 1 1 49 49 MET HG2 H 1 2.727 0.02 . 2 . . . A 235 MET HG2 . 17911 1 517 . 1 1 49 49 MET HG3 H 1 2.610 0.02 . 2 . . . A 235 MET HG3 . 17911 1 518 . 1 1 49 49 MET HE1 H 1 2.061 0.02 . 1 . . . A 235 MET HE1 . 17911 1 519 . 1 1 49 49 MET HE2 H 1 2.061 0.02 . 1 . . . A 235 MET HE2 . 17911 1 520 . 1 1 49 49 MET HE3 H 1 2.061 0.02 . 1 . . . A 235 MET HE3 . 17911 1 521 . 1 1 49 49 MET CA C 13 59.003 0.2 . 1 . . . A 235 MET CA . 17911 1 522 . 1 1 49 49 MET CB C 13 32.967 0.2 . 1 . . . A 235 MET CB . 17911 1 523 . 1 1 49 49 MET CG C 13 32.090 0.2 . 1 . . . A 235 MET CG . 17911 1 524 . 1 1 49 49 MET CE C 13 16.621 0.2 . 1 . . . A 235 MET CE . 17911 1 525 . 1 1 49 49 MET N N 15 114.180 0.2 . 1 . . . A 235 MET N . 17911 1 526 . 1 1 50 50 LYS H H 1 7.378 0.02 . 1 . . . A 236 LYS H . 17911 1 527 . 1 1 50 50 LYS HA H 1 3.945 0.02 . 1 . . . A 236 LYS HA . 17911 1 528 . 1 1 50 50 LYS HB2 H 1 1.778 0.02 . 2 . . . A 236 LYS HB2 . 17911 1 529 . 1 1 50 50 LYS HB3 H 1 1.670 0.02 . 2 . . . A 236 LYS HB3 . 17911 1 530 . 1 1 50 50 LYS HG2 H 1 1.303 0.02 . 2 . . . A 236 LYS HG2 . 17911 1 531 . 1 1 50 50 LYS HG3 H 1 0.908 0.02 . 2 . . . A 236 LYS HG3 . 17911 1 532 . 1 1 50 50 LYS HD2 H 1 1.518 0.02 . 2 . . . A 236 LYS HD2 . 17911 1 533 . 1 1 50 50 LYS HD3 H 1 1.485 0.02 . 2 . . . A 236 LYS HD3 . 17911 1 534 . 1 1 50 50 LYS HE2 H 1 2.818 0.02 . 2 . . . A 236 LYS HE2 . 17911 1 535 . 1 1 50 50 LYS CA C 13 58.378 0.2 . 1 . . . A 236 LYS CA . 17911 1 536 . 1 1 50 50 LYS CB C 13 31.833 0.2 . 1 . . . A 236 LYS CB . 17911 1 537 . 1 1 50 50 LYS CG C 13 24.872 0.2 . 1 . . . A 236 LYS CG . 17911 1 538 . 1 1 50 50 LYS CD C 13 29.255 0.2 . 1 . . . A 236 LYS CD . 17911 1 539 . 1 1 50 50 LYS CE C 13 42.145 0.2 . 1 . . . A 236 LYS CE . 17911 1 540 . 1 1 50 50 LYS N N 15 120.217 0.2 . 1 . . . A 236 LYS N . 17911 1 541 . 1 1 51 51 TYR H H 1 7.392 0.02 . 1 . . . A 237 TYR H . 17911 1 542 . 1 1 51 51 TYR HA H 1 4.462 0.02 . 1 . . . A 237 TYR HA . 17911 1 543 . 1 1 51 51 TYR HB2 H 1 3.482 0.02 . 2 . . . A 237 TYR HB2 . 17911 1 544 . 1 1 51 51 TYR HB3 H 1 2.321 0.02 . 2 . . . A 237 TYR HB3 . 17911 1 545 . 1 1 51 51 TYR HD1 H 1 7.205 0.02 . 3 . . . A 237 TYR HD1 . 17911 1 546 . 1 1 51 51 TYR HE1 H 1 6.610 0.02 . 3 . . . A 237 TYR HE1 . 17911 1 547 . 1 1 51 51 TYR CA C 13 58.293 0.2 . 1 . . . A 237 TYR CA . 17911 1 548 . 1 1 51 51 TYR CB C 13 38.668 0.2 . 1 . . . A 237 TYR CB . 17911 1 549 . 1 1 51 51 TYR N N 15 115.853 0.2 . 1 . . . A 237 TYR N . 17911 1 550 . 1 1 52 52 ASN H H 1 7.914 0.02 . 1 . . . A 238 ASN H . 17911 1 551 . 1 1 52 52 ASN HA H 1 4.403 0.02 . 1 . . . A 238 ASN HA . 17911 1 552 . 1 1 52 52 ASN HB2 H 1 3.354 0.02 . 2 . . . A 238 ASN HB2 . 17911 1 553 . 1 1 52 52 ASN HB3 H 1 2.707 0.02 . 2 . . . A 238 ASN HB3 . 17911 1 554 . 1 1 52 52 ASN HD21 H 1 7.471 0.02 . 2 . . . A 238 ASN HD21 . 17911 1 555 . 1 1 52 52 ASN HD22 H 1 6.667 0.02 . 2 . . . A 238 ASN HD22 . 17911 1 556 . 1 1 52 52 ASN CA C 13 54.834 0.2 . 1 . . . A 238 ASN CA . 17911 1 557 . 1 1 52 52 ASN CB C 13 36.881 0.2 . 1 . . . A 238 ASN CB . 17911 1 558 . 1 1 52 52 ASN N N 15 115.965 0.2 . 1 . . . A 238 ASN N . 17911 1 559 . 1 1 52 52 ASN ND2 N 15 112.391 0.2 . 1 . . . A 238 ASN ND2 . 17911 1 560 . 1 1 53 53 TYR H H 1 8.341 0.02 . 1 . . . A 239 TYR H . 17911 1 561 . 1 1 53 53 TYR HA H 1 4.675 0.02 . 1 . . . A 239 TYR HA . 17911 1 562 . 1 1 53 53 TYR HB2 H 1 3.118 0.02 . 2 . . . A 239 TYR HB2 . 17911 1 563 . 1 1 53 53 TYR HB3 H 1 2.841 0.02 . 2 . . . A 239 TYR HB3 . 17911 1 564 . 1 1 53 53 TYR HD2 H 1 7.248 0.02 . 3 . . . A 239 TYR HD2 . 17911 1 565 . 1 1 53 53 TYR HE2 H 1 6.604 0.02 . 3 . . . A 239 TYR HE2 . 17911 1 566 . 1 1 53 53 TYR CA C 13 57.387 0.2 . 1 . . . A 239 TYR CA . 17911 1 567 . 1 1 53 53 TYR CB C 13 37.788 0.2 . 1 . . . A 239 TYR CB . 17911 1 568 . 1 1 53 53 TYR N N 15 120.379 0.2 . 1 . . . A 239 TYR N . 17911 1 569 . 1 1 54 54 GLU H H 1 8.114 0.02 . 1 . . . A 240 GLU H . 17911 1 570 . 1 1 54 54 GLU HA H 1 4.317 0.02 . 1 . . . A 240 GLU HA . 17911 1 571 . 1 1 54 54 GLU HB2 H 1 2.031 0.02 . 2 . . . A 240 GLU HB2 . 17911 1 572 . 1 1 54 54 GLU HB3 H 1 2.097 0.02 . 2 . . . A 240 GLU HB3 . 17911 1 573 . 1 1 54 54 GLU HG2 H 1 2.408 0.02 . 2 . . . A 240 GLU HG2 . 17911 1 574 . 1 1 54 54 GLU CA C 13 54.579 0.2 . 1 . . . A 240 GLU CA . 17911 1 575 . 1 1 54 54 GLU CB C 13 30.802 0.2 . 1 . . . A 240 GLU CB . 17911 1 576 . 1 1 54 54 GLU CG C 13 35.958 0.2 . 1 . . . A 240 GLU CG . 17911 1 577 . 1 1 54 54 GLU N N 15 122.559 0.2 . 1 . . . A 240 GLU N . 17911 1 578 . 1 1 55 55 PRO HA H 1 4.314 0.02 . 1 . . . A 241 PRO HA . 17911 1 579 . 1 1 55 55 PRO HB2 H 1 2.056 0.02 . 2 . . . A 241 PRO HB2 . 17911 1 580 . 1 1 55 55 PRO HB3 H 1 1.822 0.02 . 2 . . . A 241 PRO HB3 . 17911 1 581 . 1 1 55 55 PRO HG2 H 1 2.082 0.02 . 2 . . . A 241 PRO HG2 . 17911 1 582 . 1 1 55 55 PRO HG3 H 1 1.949 0.02 . 2 . . . A 241 PRO HG3 . 17911 1 583 . 1 1 55 55 PRO HD2 H 1 3.709 0.02 . 2 . . . A 241 PRO HD2 . 17911 1 584 . 1 1 55 55 PRO HD3 H 1 3.857 0.02 . 2 . . . A 241 PRO HD3 . 17911 1 585 . 1 1 55 55 PRO CA C 13 62.973 0.2 . 1 . . . A 241 PRO CA . 17911 1 586 . 1 1 55 55 PRO CB C 13 31.917 0.2 . 1 . . . A 241 PRO CB . 17911 1 587 . 1 1 55 55 PRO CG C 13 27.708 0.2 . 1 . . . A 241 PRO CG . 17911 1 588 . 1 1 55 55 PRO CD C 13 50.395 0.2 . 1 . . . A 241 PRO CD . 17911 1 589 . 1 1 56 56 LEU H H 1 9.650 0.02 . 1 . . . A 242 LEU H . 17911 1 590 . 1 1 56 56 LEU HA H 1 5.200 0.02 . 1 . . . A 242 LEU HA . 17911 1 591 . 1 1 56 56 LEU HB2 H 1 1.800 0.02 . 2 . . . A 242 LEU HB2 . 17911 1 592 . 1 1 56 56 LEU HB3 H 1 1.616 0.02 . 2 . . . A 242 LEU HB3 . 17911 1 593 . 1 1 56 56 LEU HG H 1 0.679 0.02 . 1 . . . A 242 LEU HG . 17911 1 594 . 1 1 56 56 LEU HD11 H 1 0.532 0.02 . 2 . . . A 242 LEU HD11 . 17911 1 595 . 1 1 56 56 LEU HD12 H 1 0.532 0.02 . 2 . . . A 242 LEU HD12 . 17911 1 596 . 1 1 56 56 LEU HD13 H 1 0.532 0.02 . 2 . . . A 242 LEU HD13 . 17911 1 597 . 1 1 56 56 LEU HD21 H 1 1.815 0.02 . 2 . . . A 242 LEU HD21 . 17911 1 598 . 1 1 56 56 LEU HD22 H 1 1.815 0.02 . 2 . . . A 242 LEU HD22 . 17911 1 599 . 1 1 56 56 LEU HD23 H 1 1.815 0.02 . 2 . . . A 242 LEU HD23 . 17911 1 600 . 1 1 56 56 LEU CA C 13 53.747 0.2 . 1 . . . A 242 LEU CA . 17911 1 601 . 1 1 56 56 LEU CB C 13 45.560 0.2 . 1 . . . A 242 LEU CB . 17911 1 602 . 1 1 56 56 LEU CG C 13 26.756 0.2 . 1 . . . A 242 LEU CG . 17911 1 603 . 1 1 56 56 LEU CD1 C 13 25.387 0.2 . 1 . . . A 242 LEU CD1 . 17911 1 604 . 1 1 56 56 LEU CD2 C 13 26.934 0.2 . 1 . . . A 242 LEU CD2 . 17911 1 605 . 1 1 56 56 LEU N N 15 124.468 0.2 . 1 . . . A 242 LEU N . 17911 1 606 . 1 1 57 57 THR H H 1 9.279 0.02 . 1 . . . A 243 THR H . 17911 1 607 . 1 1 57 57 THR HA H 1 4.664 0.02 . 1 . . . A 243 THR HA . 17911 1 608 . 1 1 57 57 THR HB H 1 4.499 0.02 . 1 . . . A 243 THR HB . 17911 1 609 . 1 1 57 57 THR HG21 H 1 1.091 0.02 . 1 . . . A 243 THR HG21 . 17911 1 610 . 1 1 57 57 THR HG22 H 1 1.091 0.02 . 1 . . . A 243 THR HG22 . 17911 1 611 . 1 1 57 57 THR HG23 H 1 1.091 0.02 . 1 . . . A 243 THR HG23 . 17911 1 612 . 1 1 57 57 THR CA C 13 59.429 0.2 . 1 . . . A 243 THR CA . 17911 1 613 . 1 1 57 57 THR CB C 13 71.851 0.2 . 1 . . . A 243 THR CB . 17911 1 614 . 1 1 57 57 THR CG2 C 13 21.262 0.2 . 1 . . . A 243 THR CG2 . 17911 1 615 . 1 1 57 57 THR N N 15 116.700 0.2 . 1 . . . A 243 THR N . 17911 1 616 . 1 1 58 58 GLN H H 1 8.959 0.02 . 1 . . . A 244 GLN H . 17911 1 617 . 1 1 58 58 GLN HA H 1 3.827 0.02 . 1 . . . A 244 GLN HA . 17911 1 618 . 1 1 58 58 GLN HB2 H 1 2.109 0.02 . 2 . . . A 244 GLN HB2 . 17911 1 619 . 1 1 58 58 GLN HB3 H 1 1.948 0.02 . 2 . . . A 244 GLN HB3 . 17911 1 620 . 1 1 58 58 GLN HG2 H 1 2.388 0.02 . 2 . . . A 244 GLN HG2 . 17911 1 621 . 1 1 58 58 GLN HE21 H 1 6.675 0.02 . 2 . . . A 244 GLN HE21 . 17911 1 622 . 1 1 58 58 GLN HE22 H 1 7.701 0.02 . 2 . . . A 244 GLN HE22 . 17911 1 623 . 1 1 58 58 GLN CA C 13 58.130 0.2 . 1 . . . A 244 GLN CA . 17911 1 624 . 1 1 58 58 GLN CB C 13 27.777 0.2 . 1 . . . A 244 GLN CB . 17911 1 625 . 1 1 58 58 GLN CG C 13 33.379 0.2 . 1 . . . A 244 GLN CG . 17911 1 626 . 1 1 58 58 GLN N N 15 119.764 0.2 . 1 . . . A 244 GLN N . 17911 1 627 . 1 1 58 58 GLN NE2 N 15 113.843 0.2 . 1 . . . A 244 GLN NE2 . 17911 1 628 . 1 1 59 59 ASP H H 1 7.838 0.02 . 1 . . . A 245 ASP H . 17911 1 629 . 1 1 59 59 ASP HA H 1 4.325 0.02 . 1 . . . A 245 ASP HA . 17911 1 630 . 1 1 59 59 ASP HB2 H 1 2.501 0.02 . 2 . . . A 245 ASP HB2 . 17911 1 631 . 1 1 59 59 ASP HB3 H 1 2.270 0.02 . 2 . . . A 245 ASP HB3 . 17911 1 632 . 1 1 59 59 ASP CA C 13 57.301 0.2 . 1 . . . A 245 ASP CA . 17911 1 633 . 1 1 59 59 ASP CB C 13 40.029 0.2 . 1 . . . A 245 ASP CB . 17911 1 634 . 1 1 59 59 ASP N N 15 117.059 0.2 . 1 . . . A 245 ASP N . 17911 1 635 . 1 1 60 60 HIS H H 1 7.333 0.02 . 1 . . . A 246 HIS H . 17911 1 636 . 1 1 60 60 HIS HA H 1 4.296 0.02 . 1 . . . A 246 HIS HA . 17911 1 637 . 1 1 60 60 HIS HB2 H 1 3.612 0.02 . 2 . . . A 246 HIS HB2 . 17911 1 638 . 1 1 60 60 HIS HB3 H 1 3.017 0.02 . 2 . . . A 246 HIS HB3 . 17911 1 639 . 1 1 60 60 HIS HD2 H 1 6.825 0.02 . 1 . . . A 246 HIS HD2 . 17911 1 640 . 1 1 60 60 HIS CA C 13 58.645 0.2 . 1 . . . A 246 HIS CA . 17911 1 641 . 1 1 60 60 HIS CB C 13 32.864 0.2 . 1 . . . A 246 HIS CB . 17911 1 642 . 1 1 60 60 HIS N N 15 119.076 0.2 . 1 . . . A 246 HIS N . 17911 1 643 . 1 1 61 61 VAL H H 1 7.565 0.02 . 1 . . . A 247 VAL H . 17911 1 644 . 1 1 61 61 VAL HA H 1 3.400 0.02 . 1 . . . A 247 VAL HA . 17911 1 645 . 1 1 61 61 VAL HB H 1 2.382 0.02 . 1 . . . A 247 VAL HB . 17911 1 646 . 1 1 61 61 VAL HG11 H 1 0.901 0.02 . 2 . . . A 247 VAL HG11 . 17911 1 647 . 1 1 61 61 VAL HG12 H 1 0.901 0.02 . 2 . . . A 247 VAL HG12 . 17911 1 648 . 1 1 61 61 VAL HG13 H 1 0.901 0.02 . 2 . . . A 247 VAL HG13 . 17911 1 649 . 1 1 61 61 VAL HG21 H 1 0.924 0.02 . 2 . . . A 247 VAL HG21 . 17911 1 650 . 1 1 61 61 VAL HG22 H 1 0.924 0.02 . 2 . . . A 247 VAL HG22 . 17911 1 651 . 1 1 61 61 VAL HG23 H 1 0.924 0.02 . 2 . . . A 247 VAL HG23 . 17911 1 652 . 1 1 61 61 VAL CA C 13 67.257 0.2 . 1 . . . A 247 VAL CA . 17911 1 653 . 1 1 61 61 VAL CB C 13 31.010 0.2 . 1 . . . A 247 VAL CB . 17911 1 654 . 1 1 61 61 VAL CG1 C 13 21.265 0.2 . 1 . . . A 247 VAL CG1 . 17911 1 655 . 1 1 61 61 VAL CG2 C 13 22.326 0.2 . 1 . . . A 247 VAL CG2 . 17911 1 656 . 1 1 61 61 VAL N N 15 118.215 0.2 . 1 . . . A 247 VAL N . 17911 1 657 . 1 1 62 62 ASP H H 1 8.142 0.02 . 1 . . . A 248 ASP H . 17911 1 658 . 1 1 62 62 ASP HA H 1 4.358 0.02 . 1 . . . A 248 ASP HA . 17911 1 659 . 1 1 62 62 ASP HB2 H 1 2.897 0.02 . 2 . . . A 248 ASP HB2 . 17911 1 660 . 1 1 62 62 ASP HB3 H 1 2.686 0.02 . 2 . . . A 248 ASP HB3 . 17911 1 661 . 1 1 62 62 ASP CA C 13 57.557 0.2 . 1 . . . A 248 ASP CA . 17911 1 662 . 1 1 62 62 ASP CB C 13 40.027 0.2 . 1 . . . A 248 ASP CB . 17911 1 663 . 1 1 62 62 ASP N N 15 119.651 0.2 . 1 . . . A 248 ASP N . 17911 1 664 . 1 1 63 63 ILE H H 1 8.017 0.02 . 1 . . . A 249 ILE H . 17911 1 665 . 1 1 63 63 ILE HA H 1 3.756 0.02 . 1 . . . A 249 ILE HA . 17911 1 666 . 1 1 63 63 ILE HB H 1 2.118 0.02 . 1 . . . A 249 ILE HB . 17911 1 667 . 1 1 63 63 ILE HG12 H 1 1.909 0.02 . 1 . . . A 249 ILE HG12 . 17911 1 668 . 1 1 63 63 ILE HG13 H 1 1.227 0.02 . 1 . . . A 249 ILE HG13 . 17911 1 669 . 1 1 63 63 ILE HG21 H 1 0.898 0.02 . 1 . . . A 249 ILE HG21 . 17911 1 670 . 1 1 63 63 ILE HG22 H 1 0.898 0.02 . 1 . . . A 249 ILE HG22 . 17911 1 671 . 1 1 63 63 ILE HG23 H 1 0.898 0.02 . 1 . . . A 249 ILE HG23 . 17911 1 672 . 1 1 63 63 ILE HD11 H 1 0.953 0.02 . 1 . . . A 249 ILE HD11 . 17911 1 673 . 1 1 63 63 ILE HD12 H 1 0.953 0.02 . 1 . . . A 249 ILE HD12 . 17911 1 674 . 1 1 63 63 ILE HD13 H 1 0.953 0.02 . 1 . . . A 249 ILE HD13 . 17911 1 675 . 1 1 63 63 ILE CA C 13 64.832 0.2 . 1 . . . A 249 ILE CA . 17911 1 676 . 1 1 63 63 ILE CB C 13 37.817 0.2 . 1 . . . A 249 ILE CB . 17911 1 677 . 1 1 63 63 ILE CG1 C 13 29.787 0.2 . 1 . . . A 249 ILE CG1 . 17911 1 678 . 1 1 63 63 ILE CG2 C 13 18.334 0.2 . 1 . . . A 249 ILE CG2 . 17911 1 679 . 1 1 63 63 ILE CD1 C 13 13.771 0.2 . 1 . . . A 249 ILE CD1 . 17911 1 680 . 1 1 63 63 ILE N N 15 123.545 0.2 . 1 . . . A 249 ILE N . 17911 1 681 . 1 1 64 64 LEU H H 1 7.217 0.02 . 1 . . . A 250 LEU H . 17911 1 682 . 1 1 64 64 LEU HA H 1 4.094 0.02 . 1 . . . A 250 LEU HA . 17911 1 683 . 1 1 64 64 LEU HB2 H 1 1.955 0.02 . 2 . . . A 250 LEU HB2 . 17911 1 684 . 1 1 64 64 LEU HB3 H 1 1.516 0.02 . 2 . . . A 250 LEU HB3 . 17911 1 685 . 1 1 64 64 LEU HG H 1 1.775 0.02 . 1 . . . A 250 LEU HG . 17911 1 686 . 1 1 64 64 LEU HD11 H 1 0.946 0.02 . 2 . . . A 250 LEU HD11 . 17911 1 687 . 1 1 64 64 LEU HD12 H 1 0.946 0.02 . 2 . . . A 250 LEU HD12 . 17911 1 688 . 1 1 64 64 LEU HD13 H 1 0.946 0.02 . 2 . . . A 250 LEU HD13 . 17911 1 689 . 1 1 64 64 LEU HD21 H 1 0.865 0.02 . 2 . . . A 250 LEU HD21 . 17911 1 690 . 1 1 64 64 LEU HD22 H 1 0.865 0.02 . 2 . . . A 250 LEU HD22 . 17911 1 691 . 1 1 64 64 LEU HD23 H 1 0.865 0.02 . 2 . . . A 250 LEU HD23 . 17911 1 692 . 1 1 64 64 LEU CA C 13 55.004 0.2 . 1 . . . A 250 LEU CA . 17911 1 693 . 1 1 64 64 LEU CB C 13 42.662 0.2 . 1 . . . A 250 LEU CB . 17911 1 694 . 1 1 64 64 LEU CD1 C 13 28.342 0.2 . 1 . . . A 250 LEU CD1 . 17911 1 695 . 1 1 64 64 LEU CD2 C 13 22.551 0.2 . 1 . . . A 250 LEU CD2 . 17911 1 696 . 1 1 64 64 LEU N N 15 117.125 0.2 . 1 . . . A 250 LEU N . 17911 1 697 . 1 1 65 65 GLY H H 1 7.794 0.02 . 1 . . . A 251 GLY H . 17911 1 698 . 1 1 65 65 GLY HA2 H 1 4.122 0.02 . 2 . . . A 251 GLY HA2 . 17911 1 699 . 1 1 65 65 GLY HA3 H 1 3.860 0.02 . 2 . . . A 251 GLY HA3 . 17911 1 700 . 1 1 65 65 GLY CA C 13 48.708 0.2 . 1 . . . A 251 GLY CA . 17911 1 701 . 1 1 65 65 GLY N N 15 108.388 0.2 . 1 . . . A 251 GLY N . 17911 1 702 . 1 1 66 66 PRO HA H 1 4.243 0.02 . 1 . . . A 252 PRO HA . 17911 1 703 . 1 1 66 66 PRO HB2 H 1 2.357 0.02 . 2 . . . A 252 PRO HB2 . 17911 1 704 . 1 1 66 66 PRO HB3 H 1 1.670 0.02 . 2 . . . A 252 PRO HB3 . 17911 1 705 . 1 1 66 66 PRO HG2 H 1 2.064 0.02 . 2 . . . A 252 PRO HG2 . 17911 1 706 . 1 1 66 66 PRO HG3 H 1 1.920 0.02 . 2 . . . A 252 PRO HG3 . 17911 1 707 . 1 1 66 66 PRO HD2 H 1 3.760 0.02 . 2 . . . A 252 PRO HD2 . 17911 1 708 . 1 1 66 66 PRO HD3 H 1 3.511 0.02 . 2 . . . A 252 PRO HD3 . 17911 1 709 . 1 1 66 66 PRO CA C 13 66.036 0.2 . 1 . . . A 252 PRO CA . 17911 1 710 . 1 1 66 66 PRO CB C 13 32.172 0.2 . 1 . . . A 252 PRO CB . 17911 1 711 . 1 1 66 66 PRO CG C 13 28.223 0.2 . 1 . . . A 252 PRO CG . 17911 1 712 . 1 1 66 66 PRO CD C 13 50.653 0.2 . 1 . . . A 252 PRO CD . 17911 1 713 . 1 1 67 67 LEU H H 1 7.344 0.02 . 1 . . . A 253 LEU H . 17911 1 714 . 1 1 67 67 LEU HA H 1 3.866 0.02 . 1 . . . A 253 LEU HA . 17911 1 715 . 1 1 67 67 LEU HB2 H 1 1.107 0.02 . 2 . . . A 253 LEU HB2 . 17911 1 716 . 1 1 67 67 LEU HB3 H 1 0.511 0.02 . 2 . . . A 253 LEU HB3 . 17911 1 717 . 1 1 67 67 LEU HG H 1 1.383 0.02 . 1 . . . A 253 LEU HG . 17911 1 718 . 1 1 67 67 LEU HD11 H 1 0.842 0.02 . 2 . . . A 253 LEU HD11 . 17911 1 719 . 1 1 67 67 LEU HD12 H 1 0.842 0.02 . 2 . . . A 253 LEU HD12 . 17911 1 720 . 1 1 67 67 LEU HD13 H 1 0.842 0.02 . 2 . . . A 253 LEU HD13 . 17911 1 721 . 1 1 67 67 LEU HD21 H 1 0.614 0.02 . 2 . . . A 253 LEU HD21 . 17911 1 722 . 1 1 67 67 LEU HD22 H 1 0.614 0.02 . 2 . . . A 253 LEU HD22 . 17911 1 723 . 1 1 67 67 LEU HD23 H 1 0.614 0.02 . 2 . . . A 253 LEU HD23 . 17911 1 724 . 1 1 67 67 LEU CA C 13 57.301 0.2 . 1 . . . A 253 LEU CA . 17911 1 725 . 1 1 67 67 LEU CB C 13 40.539 0.2 . 1 . . . A 253 LEU CB . 17911 1 726 . 1 1 67 67 LEU CG C 13 26.970 0.2 . 1 . . . A 253 LEU CG . 17911 1 727 . 1 1 67 67 LEU CD1 C 13 25.129 0.2 . 1 . . . A 253 LEU CD1 . 17911 1 728 . 1 1 67 67 LEU CD2 C 13 22.774 0.2 . 1 . . . A 253 LEU CD2 . 17911 1 729 . 1 1 67 67 LEU N N 15 117.852 0.2 . 1 . . . A 253 LEU N . 17911 1 730 . 1 1 68 68 SER H H 1 7.883 0.02 . 1 . . . A 254 SER H . 17911 1 731 . 1 1 68 68 SER HA H 1 4.154 0.02 . 1 . . . A 254 SER HA . 17911 1 732 . 1 1 68 68 SER HB2 H 1 3.899 0.02 . 2 . . . A 254 SER HB2 . 17911 1 733 . 1 1 68 68 SER CA C 13 60.705 0.2 . 1 . . . A 254 SER CA . 17911 1 734 . 1 1 68 68 SER CB C 13 63.286 0.2 . 1 . . . A 254 SER CB . 17911 1 735 . 1 1 68 68 SER N N 15 117.191 0.2 . 1 . . . A 254 SER N . 17911 1 736 . 1 1 69 69 ALA H H 1 8.592 0.02 . 1 . . . A 255 ALA H . 17911 1 737 . 1 1 69 69 ALA HA H 1 4.078 0.02 . 1 . . . A 255 ALA HA . 17911 1 738 . 1 1 69 69 ALA HB1 H 1 1.393 0.02 . 1 . . . A 255 ALA HB1 . 17911 1 739 . 1 1 69 69 ALA HB2 H 1 1.393 0.02 . 1 . . . A 255 ALA HB2 . 17911 1 740 . 1 1 69 69 ALA HB3 H 1 1.393 0.02 . 1 . . . A 255 ALA HB3 . 17911 1 741 . 1 1 69 69 ALA CA C 13 54.749 0.2 . 1 . . . A 255 ALA CA . 17911 1 742 . 1 1 69 69 ALA CB C 13 17.992 0.2 . 1 . . . A 255 ALA CB . 17911 1 743 . 1 1 69 69 ALA N N 15 123.895 0.2 . 1 . . . A 255 ALA N . 17911 1 744 . 1 1 70 70 GLN H H 1 7.744 0.02 . 1 . . . A 256 GLN H . 17911 1 745 . 1 1 70 70 GLN HA H 1 4.011 0.02 . 1 . . . A 256 GLN HA . 17911 1 746 . 1 1 70 70 GLN HB2 H 1 2.220 0.02 . 2 . . . A 256 GLN HB2 . 17911 1 747 . 1 1 70 70 GLN HB3 H 1 1.933 0.02 . 2 . . . A 256 GLN HB3 . 17911 1 748 . 1 1 70 70 GLN HG2 H 1 2.385 0.02 . 2 . . . A 256 GLN HG2 . 17911 1 749 . 1 1 70 70 GLN HG3 H 1 2.232 0.02 . 2 . . . A 256 GLN HG3 . 17911 1 750 . 1 1 70 70 GLN HE21 H 1 6.558 0.02 . 2 . . . A 256 GLN HE21 . 17911 1 751 . 1 1 70 70 GLN HE22 H 1 7.288 0.02 . 2 . . . A 256 GLN HE22 . 17911 1 752 . 1 1 70 70 GLN CA C 13 58.634 0.2 . 1 . . . A 256 GLN CA . 17911 1 753 . 1 1 70 70 GLN CB C 13 28.939 0.2 . 1 . . . A 256 GLN CB . 17911 1 754 . 1 1 70 70 GLN CG C 13 33.379 0.2 . 1 . . . A 256 GLN CG . 17911 1 755 . 1 1 70 70 GLN N N 15 116.528 0.2 . 1 . . . A 256 GLN N . 17911 1 756 . 1 1 70 70 GLN NE2 N 15 108.369 0.2 . 1 . . . A 256 GLN NE2 . 17911 1 757 . 1 1 71 71 THR H H 1 7.401 0.02 . 1 . . . A 257 THR H . 17911 1 758 . 1 1 71 71 THR HA H 1 4.277 0.02 . 1 . . . A 257 THR HA . 17911 1 759 . 1 1 71 71 THR HB H 1 4.218 0.02 . 1 . . . A 257 THR HB . 17911 1 760 . 1 1 71 71 THR HG21 H 1 1.391 0.02 . 1 . . . A 257 THR HG21 . 17911 1 761 . 1 1 71 71 THR HG22 H 1 1.391 0.02 . 1 . . . A 257 THR HG22 . 17911 1 762 . 1 1 71 71 THR HG23 H 1 1.391 0.02 . 1 . . . A 257 THR HG23 . 17911 1 763 . 1 1 71 71 THR CA C 13 62.236 0.2 . 1 . . . A 257 THR CA . 17911 1 764 . 1 1 71 71 THR CB C 13 72.277 0.2 . 1 . . . A 257 THR CB . 17911 1 765 . 1 1 71 71 THR CG2 C 13 22.553 0.2 . 1 . . . A 257 THR CG2 . 17911 1 766 . 1 1 71 71 THR N N 15 103.056 0.2 . 1 . . . A 257 THR N . 17911 1 767 . 1 1 72 72 GLY H H 1 8.113 0.02 . 1 . . . A 258 GLY H . 17911 1 768 . 1 1 72 72 GLY HA2 H 1 4.090 0.02 . 2 . . . A 258 GLY HA2 . 17911 1 769 . 1 1 72 72 GLY HA3 H 1 3.800 0.02 . 2 . . . A 258 GLY HA3 . 17911 1 770 . 1 1 72 72 GLY CA C 13 45.900 0.2 . 1 . . . A 258 GLY CA . 17911 1 771 . 1 1 72 72 GLY N N 15 111.697 0.2 . 1 . . . A 258 GLY N . 17911 1 772 . 1 1 73 73 ILE H H 1 7.598 0.02 . 1 . . . A 259 ILE H . 17911 1 773 . 1 1 73 73 ILE HA H 1 4.451 0.02 . 1 . . . A 259 ILE HA . 17911 1 774 . 1 1 73 73 ILE HB H 1 1.976 0.02 . 1 . . . A 259 ILE HB . 17911 1 775 . 1 1 73 73 ILE HG12 H 1 1.308 0.02 . 1 . . . A 259 ILE HG12 . 17911 1 776 . 1 1 73 73 ILE HG13 H 1 1.115 0.02 . 1 . . . A 259 ILE HG13 . 17911 1 777 . 1 1 73 73 ILE HG21 H 1 0.825 0.02 . 1 . . . A 259 ILE HG21 . 17911 1 778 . 1 1 73 73 ILE HG22 H 1 0.825 0.02 . 1 . . . A 259 ILE HG22 . 17911 1 779 . 1 1 73 73 ILE HG23 H 1 0.825 0.02 . 1 . . . A 259 ILE HG23 . 17911 1 780 . 1 1 73 73 ILE HD11 H 1 0.811 0.02 . 1 . . . A 259 ILE HD11 . 17911 1 781 . 1 1 73 73 ILE HD12 H 1 0.811 0.02 . 1 . . . A 259 ILE HD12 . 17911 1 782 . 1 1 73 73 ILE HD13 H 1 0.811 0.02 . 1 . . . A 259 ILE HD13 . 17911 1 783 . 1 1 73 73 ILE CA C 13 58.903 0.2 . 1 . . . A 259 ILE CA . 17911 1 784 . 1 1 73 73 ILE CB C 13 38.497 0.2 . 1 . . . A 259 ILE CB . 17911 1 785 . 1 1 73 73 ILE CG1 C 13 26.686 0.2 . 1 . . . A 259 ILE CG1 . 17911 1 786 . 1 1 73 73 ILE CG2 C 13 16.879 0.2 . 1 . . . A 259 ILE CG2 . 17911 1 787 . 1 1 73 73 ILE CD1 C 13 21.778 0.2 . 1 . . . A 259 ILE CD1 . 17911 1 788 . 1 1 73 73 ILE N N 15 120.078 0.2 . 1 . . . A 259 ILE N . 17911 1 789 . 1 1 74 74 ALA H H 1 9.477 0.02 . 1 . . . A 260 ALA H . 17911 1 790 . 1 1 74 74 ALA HA H 1 4.178 0.02 . 1 . . . A 260 ALA HA . 17911 1 791 . 1 1 74 74 ALA HB1 H 1 1.453 0.02 . 1 . . . A 260 ALA HB1 . 17911 1 792 . 1 1 74 74 ALA HB2 H 1 1.453 0.02 . 1 . . . A 260 ALA HB2 . 17911 1 793 . 1 1 74 74 ALA HB3 H 1 1.453 0.02 . 1 . . . A 260 ALA HB3 . 17911 1 794 . 1 1 74 74 ALA CA C 13 52.622 0.2 . 1 . . . A 260 ALA CA . 17911 1 795 . 1 1 74 74 ALA CB C 13 18.417 0.2 . 1 . . . A 260 ALA CB . 17911 1 796 . 1 1 74 74 ALA N N 15 107.454 0.2 . 1 . . . A 260 ALA N . 17911 1 797 . 1 1 75 75 VAL H H 1 8.927 0.02 . 1 . . . A 261 VAL H . 17911 1 798 . 1 1 75 75 VAL HA H 1 4.095 0.02 . 1 . . . A 261 VAL HA . 17911 1 799 . 1 1 75 75 VAL HB H 1 1.959 0.02 . 1 . . . A 261 VAL HB . 17911 1 800 . 1 1 75 75 VAL HG11 H 1 0.867 0.02 . 2 . . . A 261 VAL HG11 . 17911 1 801 . 1 1 75 75 VAL HG12 H 1 0.867 0.02 . 2 . . . A 261 VAL HG12 . 17911 1 802 . 1 1 75 75 VAL HG13 H 1 0.867 0.02 . 2 . . . A 261 VAL HG13 . 17911 1 803 . 1 1 75 75 VAL HG21 H 1 1.231 0.02 . 2 . . . A 261 VAL HG21 . 17911 1 804 . 1 1 75 75 VAL HG22 H 1 1.231 0.02 . 2 . . . A 261 VAL HG22 . 17911 1 805 . 1 1 75 75 VAL HG23 H 1 1.231 0.02 . 2 . . . A 261 VAL HG23 . 17911 1 806 . 1 1 75 75 VAL CA C 13 66.637 0.2 . 1 . . . A 261 VAL CA . 17911 1 807 . 1 1 75 75 VAL CB C 13 31.575 0.2 . 1 . . . A 261 VAL CB . 17911 1 808 . 1 1 75 75 VAL CG1 C 13 22.651 0.2 . 1 . . . A 261 VAL CG1 . 17911 1 809 . 1 1 75 75 VAL CG2 C 13 23.815 0.2 . 1 . . . A 261 VAL CG2 . 17911 1 810 . 1 1 75 75 VAL N N 15 124.569 0.2 . 1 . . . A 261 VAL N . 17911 1 811 . 1 1 76 76 LEU H H 1 8.949 0.02 . 1 . . . A 262 LEU H . 17911 1 812 . 1 1 76 76 LEU HA H 1 3.827 0.02 . 1 . . . A 262 LEU HA . 17911 1 813 . 1 1 76 76 LEU HB2 H 1 1.679 0.02 . 2 . . . A 262 LEU HB2 . 17911 1 814 . 1 1 76 76 LEU HG H 1 1.689 0.02 . 1 . . . A 262 LEU HG . 17911 1 815 . 1 1 76 76 LEU HD11 H 1 0.987 0.02 . 2 . . . A 262 LEU HD11 . 17911 1 816 . 1 1 76 76 LEU HD12 H 1 0.987 0.02 . 2 . . . A 262 LEU HD12 . 17911 1 817 . 1 1 76 76 LEU HD13 H 1 0.987 0.02 . 2 . . . A 262 LEU HD13 . 17911 1 818 . 1 1 76 76 LEU HD21 H 1 0.694 0.02 . 2 . . . A 262 LEU HD21 . 17911 1 819 . 1 1 76 76 LEU HD22 H 1 0.694 0.02 . 2 . . . A 262 LEU HD22 . 17911 1 820 . 1 1 76 76 LEU HD23 H 1 0.694 0.02 . 2 . . . A 262 LEU HD23 . 17911 1 821 . 1 1 76 76 LEU CA C 13 58.067 0.2 . 1 . . . A 262 LEU CA . 17911 1 822 . 1 1 76 76 LEU CB C 13 39.774 0.2 . 1 . . . A 262 LEU CB . 17911 1 823 . 1 1 76 76 LEU CG C 13 27.718 0.2 . 1 . . . A 262 LEU CG . 17911 1 824 . 1 1 76 76 LEU CD1 C 13 25.054 0.2 . 1 . . . A 262 LEU CD1 . 17911 1 825 . 1 1 76 76 LEU CD2 C 13 21.876 0.2 . 1 . . . A 262 LEU CD2 . 17911 1 826 . 1 1 76 76 LEU N N 15 117.285 0.2 . 1 . . . A 262 LEU N . 17911 1 827 . 1 1 77 77 ASP H H 1 7.011 0.02 . 1 . . . A 263 ASP H . 17911 1 828 . 1 1 77 77 ASP HA H 1 4.639 0.02 . 1 . . . A 263 ASP HA . 17911 1 829 . 1 1 77 77 ASP HB2 H 1 2.907 0.02 . 2 . . . A 263 ASP HB2 . 17911 1 830 . 1 1 77 77 ASP HB3 H 1 2.724 0.02 . 2 . . . A 263 ASP HB3 . 17911 1 831 . 1 1 77 77 ASP CA C 13 57.131 0.2 . 1 . . . A 263 ASP CA . 17911 1 832 . 1 1 77 77 ASP CB C 13 39.178 0.2 . 1 . . . A 263 ASP CB . 17911 1 833 . 1 1 77 77 ASP N N 15 120.854 0.2 . 1 . . . A 263 ASP N . 17911 1 834 . 1 1 78 78 MET H H 1 8.025 0.02 . 1 . . . A 264 MET H . 17911 1 835 . 1 1 78 78 MET HA H 1 4.343 0.02 . 1 . . . A 264 MET HA . 17911 1 836 . 1 1 78 78 MET HB2 H 1 2.103 0.02 . 2 . . . A 264 MET HB2 . 17911 1 837 . 1 1 78 78 MET HB3 H 1 1.576 0.02 . 2 . . . A 264 MET HB3 . 17911 1 838 . 1 1 78 78 MET HG3 H 1 1.828 0.02 . 2 . . . A 264 MET HG3 . 17911 1 839 . 1 1 78 78 MET HE1 H 1 0.961 0.02 . 1 . . . A 264 MET HE1 . 17911 1 840 . 1 1 78 78 MET HE2 H 1 0.961 0.02 . 1 . . . A 264 MET HE2 . 17911 1 841 . 1 1 78 78 MET HE3 H 1 0.961 0.02 . 1 . . . A 264 MET HE3 . 17911 1 842 . 1 1 78 78 MET CA C 13 57.131 0.2 . 1 . . . A 264 MET CA . 17911 1 843 . 1 1 78 78 MET CB C 13 31.172 0.2 . 1 . . . A 264 MET CB . 17911 1 844 . 1 1 78 78 MET CG C 13 33.379 0.2 . 1 . . . A 264 MET CG . 17911 1 845 . 1 1 78 78 MET CE C 13 16.364 0.2 . 1 . . . A 264 MET CE . 17911 1 846 . 1 1 78 78 MET N N 15 124.661 0.2 . 1 . . . A 264 MET N . 17911 1 847 . 1 1 79 79 CYS H H 1 8.703 0.02 . 1 . . . A 265 CYS H . 17911 1 848 . 1 1 79 79 CYS HA H 1 3.534 0.02 . 1 . . . A 265 CYS HA . 17911 1 849 . 1 1 79 79 CYS HB2 H 1 2.809 0.02 . 2 . . . A 265 CYS HB2 . 17911 1 850 . 1 1 79 79 CYS HB3 H 1 1.871 0.02 . 2 . . . A 265 CYS HB3 . 17911 1 851 . 1 1 79 79 CYS CA C 13 64.317 0.2 . 1 . . . A 265 CYS CA . 17911 1 852 . 1 1 79 79 CYS CB C 13 25.564 0.2 . 1 . . . A 265 CYS CB . 17911 1 853 . 1 1 79 79 CYS N N 15 117.740 0.2 . 1 . . . A 265 CYS N . 17911 1 854 . 1 1 80 80 ALA H H 1 7.745 0.02 . 1 . . . A 266 ALA H . 17911 1 855 . 1 1 80 80 ALA HA H 1 3.884 0.02 . 1 . . . A 266 ALA HA . 17911 1 856 . 1 1 80 80 ALA HB1 H 1 1.468 0.02 . 1 . . . A 266 ALA HB1 . 17911 1 857 . 1 1 80 80 ALA HB2 H 1 1.468 0.02 . 1 . . . A 266 ALA HB2 . 17911 1 858 . 1 1 80 80 ALA HB3 H 1 1.468 0.02 . 1 . . . A 266 ALA HB3 . 17911 1 859 . 1 1 80 80 ALA CA C 13 55.174 0.2 . 1 . . . A 266 ALA CA . 17911 1 860 . 1 1 80 80 ALA CB C 13 17.911 0.2 . 1 . . . A 266 ALA CB . 17911 1 861 . 1 1 80 80 ALA N N 15 123.346 0.2 . 1 . . . A 266 ALA N . 17911 1 862 . 1 1 81 81 ALA H H 1 7.513 0.02 . 1 . . . A 267 ALA H . 17911 1 863 . 1 1 81 81 ALA HA H 1 4.236 0.02 . 1 . . . A 267 ALA HA . 17911 1 864 . 1 1 81 81 ALA HB1 H 1 1.585 0.02 . 1 . . . A 267 ALA HB1 . 17911 1 865 . 1 1 81 81 ALA HB2 H 1 1.585 0.02 . 1 . . . A 267 ALA HB2 . 17911 1 866 . 1 1 81 81 ALA HB3 H 1 1.585 0.02 . 1 . . . A 267 ALA HB3 . 17911 1 867 . 1 1 81 81 ALA CA C 13 54.778 0.2 . 1 . . . A 267 ALA CA . 17911 1 868 . 1 1 81 81 ALA CB C 13 18.247 0.2 . 1 . . . A 267 ALA CB . 17911 1 869 . 1 1 81 81 ALA N N 15 122.668 0.2 . 1 . . . A 267 ALA N . 17911 1 870 . 1 1 82 82 LEU H H 1 8.304 0.02 . 1 . . . A 268 LEU H . 17911 1 871 . 1 1 82 82 LEU HA H 1 3.924 0.02 . 1 . . . A 268 LEU HA . 17911 1 872 . 1 1 82 82 LEU HB2 H 1 1.971 0.02 . 2 . . . A 268 LEU HB2 . 17911 1 873 . 1 1 82 82 LEU HB3 H 1 1.193 0.02 . 2 . . . A 268 LEU HB3 . 17911 1 874 . 1 1 82 82 LEU HG H 1 0.980 0.02 . 1 . . . A 268 LEU HG . 17911 1 875 . 1 1 82 82 LEU HD11 H 1 0.902 0.02 . 2 . . . A 268 LEU HD11 . 17911 1 876 . 1 1 82 82 LEU HD12 H 1 0.902 0.02 . 2 . . . A 268 LEU HD12 . 17911 1 877 . 1 1 82 82 LEU HD13 H 1 0.902 0.02 . 2 . . . A 268 LEU HD13 . 17911 1 878 . 1 1 82 82 LEU HD21 H 1 1.457 0.02 . 2 . . . A 268 LEU HD21 . 17911 1 879 . 1 1 82 82 LEU HD22 H 1 1.457 0.02 . 2 . . . A 268 LEU HD22 . 17911 1 880 . 1 1 82 82 LEU HD23 H 1 1.457 0.02 . 2 . . . A 268 LEU HD23 . 17911 1 881 . 1 1 82 82 LEU CA C 13 57.613 0.2 . 1 . . . A 268 LEU CA . 17911 1 882 . 1 1 82 82 LEU CB C 13 40.681 0.2 . 1 . . . A 268 LEU CB . 17911 1 883 . 1 1 82 82 LEU CG C 13 26.941 0.2 . 1 . . . A 268 LEU CG . 17911 1 884 . 1 1 82 82 LEU CD1 C 13 23.773 0.2 . 1 . . . A 268 LEU CD1 . 17911 1 885 . 1 1 82 82 LEU CD2 C 13 27.708 0.2 . 1 . . . A 268 LEU CD2 . 17911 1 886 . 1 1 82 82 LEU N N 15 119.844 0.2 . 1 . . . A 268 LEU N . 17911 1 887 . 1 1 83 83 LYS H H 1 8.881 0.02 . 1 . . . A 269 LYS H . 17911 1 888 . 1 1 83 83 LYS HA H 1 3.629 0.02 . 1 . . . A 269 LYS HA . 17911 1 889 . 1 1 83 83 LYS HB2 H 1 2.121 0.02 . 2 . . . A 269 LYS HB2 . 17911 1 890 . 1 1 83 83 LYS HB3 H 1 1.988 0.02 . 2 . . . A 269 LYS HB3 . 17911 1 891 . 1 1 83 83 LYS HG2 H 1 1.424 0.02 . 2 . . . A 269 LYS HG2 . 17911 1 892 . 1 1 83 83 LYS HG3 H 1 1.392 0.02 . 2 . . . A 269 LYS HG3 . 17911 1 893 . 1 1 83 83 LYS HD2 H 1 1.673 0.02 . 2 . . . A 269 LYS HD2 . 17911 1 894 . 1 1 83 83 LYS HE2 H 1 2.898 0.02 . 2 . . . A 269 LYS HE2 . 17911 1 895 . 1 1 83 83 LYS CA C 13 60.279 0.2 . 1 . . . A 269 LYS CA . 17911 1 896 . 1 1 83 83 LYS CB C 13 33.052 0.2 . 1 . . . A 269 LYS CB . 17911 1 897 . 1 1 83 83 LYS CG C 13 24.614 0.2 . 1 . . . A 269 LYS CG . 17911 1 898 . 1 1 83 83 LYS CD C 13 30.286 0.2 . 1 . . . A 269 LYS CD . 17911 1 899 . 1 1 83 83 LYS CE C 13 41.629 0.2 . 1 . . . A 269 LYS CE . 17911 1 900 . 1 1 83 83 LYS N N 15 119.140 0.2 . 1 . . . A 269 LYS N . 17911 1 901 . 1 1 84 84 GLU H H 1 7.107 0.02 . 1 . . . A 270 GLU H . 17911 1 902 . 1 1 84 84 GLU HA H 1 4.085 0.02 . 1 . . . A 270 GLU HA . 17911 1 903 . 1 1 84 84 GLU HB2 H 1 2.190 0.02 . 2 . . . A 270 GLU HB2 . 17911 1 904 . 1 1 84 84 GLU HB3 H 1 2.018 0.02 . 2 . . . A 270 GLU HB3 . 17911 1 905 . 1 1 84 84 GLU HG2 H 1 2.377 0.02 . 2 . . . A 270 GLU HG2 . 17911 1 906 . 1 1 84 84 GLU HG3 H 1 2.285 0.02 . 2 . . . A 270 GLU HG3 . 17911 1 907 . 1 1 84 84 GLU CA C 13 58.903 0.2 . 1 . . . A 270 GLU CA . 17911 1 908 . 1 1 84 84 GLU CB C 13 29.223 0.2 . 1 . . . A 270 GLU CB . 17911 1 909 . 1 1 84 84 GLU CG C 13 35.957 0.2 . 1 . . . A 270 GLU CG . 17911 1 910 . 1 1 84 84 GLU N N 15 116.647 0.2 . 1 . . . A 270 GLU N . 17911 1 911 . 1 1 85 85 LEU H H 1 7.757 0.02 . 1 . . . A 271 LEU H . 17911 1 912 . 1 1 85 85 LEU HA H 1 3.992 0.02 . 1 . . . A 271 LEU HA . 17911 1 913 . 1 1 85 85 LEU HB2 H 1 1.934 0.02 . 2 . . . A 271 LEU HB2 . 17911 1 914 . 1 1 85 85 LEU HB3 H 1 1.111 0.02 . 2 . . . A 271 LEU HB3 . 17911 1 915 . 1 1 85 85 LEU HG H 1 0.309 0.02 . 1 . . . A 271 LEU HG . 17911 1 916 . 1 1 85 85 LEU HD11 H 1 1.766 0.02 . 2 . . . A 271 LEU HD11 . 17911 1 917 . 1 1 85 85 LEU HD12 H 1 1.766 0.02 . 2 . . . A 271 LEU HD12 . 17911 1 918 . 1 1 85 85 LEU HD13 H 1 1.766 0.02 . 2 . . . A 271 LEU HD13 . 17911 1 919 . 1 1 85 85 LEU HD21 H 1 0.787 0.02 . 2 . . . A 271 LEU HD21 . 17911 1 920 . 1 1 85 85 LEU HD22 H 1 0.787 0.02 . 2 . . . A 271 LEU HD22 . 17911 1 921 . 1 1 85 85 LEU HD23 H 1 0.787 0.02 . 2 . . . A 271 LEU HD23 . 17911 1 922 . 1 1 85 85 LEU CA C 13 57.872 0.2 . 1 . . . A 271 LEU CA . 17911 1 923 . 1 1 85 85 LEU CB C 13 42.326 0.2 . 1 . . . A 271 LEU CB . 17911 1 924 . 1 1 85 85 LEU CG C 13 25.517 0.2 . 1 . . . A 271 LEU CG . 17911 1 925 . 1 1 85 85 LEU CD1 C 13 26.676 0.2 . 1 . . . A 271 LEU CD1 . 17911 1 926 . 1 1 85 85 LEU CD2 C 13 23.841 0.2 . 1 . . . A 271 LEU CD2 . 17911 1 927 . 1 1 85 85 LEU N N 15 120.657 0.2 . 1 . . . A 271 LEU N . 17911 1 928 . 1 1 86 86 LEU H H 1 8.336 0.02 . 1 . . . A 272 LEU H . 17911 1 929 . 1 1 86 86 LEU HA H 1 3.535 0.02 . 1 . . . A 272 LEU HA . 17911 1 930 . 1 1 86 86 LEU HB2 H 1 1.242 0.02 . 2 . . . A 272 LEU HB2 . 17911 1 931 . 1 1 86 86 LEU HB3 H 1 -0.030 0.02 . 2 . . . A 272 LEU HB3 . 17911 1 932 . 1 1 86 86 LEU HG H 1 1.208 0.02 . 1 . . . A 272 LEU HG . 17911 1 933 . 1 1 86 86 LEU HD11 H 1 0.100 0.02 . 2 . . . A 272 LEU HD11 . 17911 1 934 . 1 1 86 86 LEU HD12 H 1 0.100 0.02 . 2 . . . A 272 LEU HD12 . 17911 1 935 . 1 1 86 86 LEU HD13 H 1 0.100 0.02 . 2 . . . A 272 LEU HD13 . 17911 1 936 . 1 1 86 86 LEU HD21 H 1 -0.114 0.02 . 2 . . . A 272 LEU HD21 . 17911 1 937 . 1 1 86 86 LEU HD22 H 1 -0.114 0.02 . 2 . . . A 272 LEU HD22 . 17911 1 938 . 1 1 86 86 LEU HD23 H 1 -0.114 0.02 . 2 . . . A 272 LEU HD23 . 17911 1 939 . 1 1 86 86 LEU CA C 13 57.356 0.2 . 1 . . . A 272 LEU CA . 17911 1 940 . 1 1 86 86 LEU CB C 13 40.880 0.2 . 1 . . . A 272 LEU CB . 17911 1 941 . 1 1 86 86 LEU CG C 13 25.903 0.2 . 1 . . . A 272 LEU CG . 17911 1 942 . 1 1 86 86 LEU CD1 C 13 21.778 0.2 . 1 . . . A 272 LEU CD1 . 17911 1 943 . 1 1 86 86 LEU CD2 C 13 23.841 0.2 . 1 . . . A 272 LEU CD2 . 17911 1 944 . 1 1 86 86 LEU N N 15 119.651 0.2 . 1 . . . A 272 LEU N . 17911 1 945 . 1 1 87 87 GLN H H 1 7.422 0.02 . 1 . . . A 273 GLN H . 17911 1 946 . 1 1 87 87 GLN HA H 1 4.099 0.02 . 1 . . . A 273 GLN HA . 17911 1 947 . 1 1 87 87 GLN HB2 H 1 1.937 0.02 . 2 . . . A 273 GLN HB2 . 17911 1 948 . 1 1 87 87 GLN HG2 H 1 2.254 0.02 . 2 . . . A 273 GLN HG2 . 17911 1 949 . 1 1 87 87 GLN HG3 H 1 2.488 0.02 . 2 . . . A 273 GLN HG3 . 17911 1 950 . 1 1 87 87 GLN HE21 H 1 6.933 0.02 . 2 . . . A 273 GLN HE21 . 17911 1 951 . 1 1 87 87 GLN HE22 H 1 7.260 0.02 . 2 . . . A 273 GLN HE22 . 17911 1 952 . 1 1 87 87 GLN CA C 13 58.387 0.2 . 1 . . . A 273 GLN CA . 17911 1 953 . 1 1 87 87 GLN CB C 13 30.159 0.2 . 1 . . . A 273 GLN CB . 17911 1 954 . 1 1 87 87 GLN CG C 13 35.264 0.2 . 1 . . . A 273 GLN CG . 17911 1 955 . 1 1 87 87 GLN N N 15 113.087 0.2 . 1 . . . A 273 GLN N . 17911 1 956 . 1 1 87 87 GLN NE2 N 15 111.162 0.2 . 1 . . . A 273 GLN NE2 . 17911 1 957 . 1 1 88 88 ASN H H 1 8.388 0.02 . 1 . . . A 274 ASN H . 17911 1 958 . 1 1 88 88 ASN HA H 1 4.921 0.02 . 1 . . . A 274 ASN HA . 17911 1 959 . 1 1 88 88 ASN HB2 H 1 2.851 0.02 . 2 . . . A 274 ASN HB2 . 17911 1 960 . 1 1 88 88 ASN HD21 H 1 7.685 0.02 . 2 . . . A 274 ASN HD21 . 17911 1 961 . 1 1 88 88 ASN HD22 H 1 6.968 0.02 . 2 . . . A 274 ASN HD22 . 17911 1 962 . 1 1 88 88 ASN CA C 13 53.747 0.2 . 1 . . . A 274 ASN CA . 17911 1 963 . 1 1 88 88 ASN CB C 13 40.625 0.2 . 1 . . . A 274 ASN CB . 17911 1 964 . 1 1 88 88 ASN N N 15 113.925 0.2 . 1 . . . A 274 ASN N . 17911 1 965 . 1 1 88 88 ASN ND2 N 15 114.625 0.2 . 1 . . . A 274 ASN ND2 . 17911 1 966 . 1 1 89 89 GLY H H 1 7.698 0.02 . 1 . . . A 275 GLY H . 17911 1 967 . 1 1 89 89 GLY HA2 H 1 4.333 0.02 . 2 . . . A 275 GLY HA2 . 17911 1 968 . 1 1 89 89 GLY HA3 H 1 3.961 0.02 . 2 . . . A 275 GLY HA3 . 17911 1 969 . 1 1 89 89 GLY CA C 13 44.709 0.2 . 1 . . . A 275 GLY CA . 17911 1 970 . 1 1 89 89 GLY N N 15 109.040 0.2 . 1 . . . A 275 GLY N . 17911 1 971 . 1 1 90 90 MET H H 1 8.599 0.02 . 1 . . . A 276 MET H . 17911 1 972 . 1 1 90 90 MET HA H 1 4.434 0.02 . 1 . . . A 276 MET HA . 17911 1 973 . 1 1 90 90 MET HB2 H 1 2.603 0.02 . 2 . . . A 276 MET HB2 . 17911 1 974 . 1 1 90 90 MET HB3 H 1 2.505 0.02 . 2 . . . A 276 MET HB3 . 17911 1 975 . 1 1 90 90 MET HG2 H 1 2.022 0.02 . 2 . . . A 276 MET HG2 . 17911 1 976 . 1 1 90 90 MET HE1 H 1 2.008 0.02 . 1 . . . A 276 MET HE1 . 17911 1 977 . 1 1 90 90 MET HE2 H 1 2.008 0.02 . 1 . . . A 276 MET HE2 . 17911 1 978 . 1 1 90 90 MET HE3 H 1 2.008 0.02 . 1 . . . A 276 MET HE3 . 17911 1 979 . 1 1 90 90 MET CA C 13 56.791 0.2 . 1 . . . A 276 MET CA . 17911 1 980 . 1 1 90 90 MET CB C 13 33.637 0.2 . 1 . . . A 276 MET CB . 17911 1 981 . 1 1 90 90 MET CG C 13 34.153 0.2 . 1 . . . A 276 MET CG . 17911 1 982 . 1 1 90 90 MET CE C 13 17.653 0.2 . 1 . . . A 276 MET CE . 17911 1 983 . 1 1 90 90 MET N N 15 115.183 0.2 . 1 . . . A 276 MET N . 17911 1 984 . 1 1 91 91 ASN H H 1 9.033 0.02 . 1 . . . A 277 ASN H . 17911 1 985 . 1 1 91 91 ASN HA H 1 4.301 0.02 . 1 . . . A 277 ASN HA . 17911 1 986 . 1 1 91 91 ASN HB2 H 1 2.909 0.02 . 2 . . . A 277 ASN HB2 . 17911 1 987 . 1 1 91 91 ASN HB3 H 1 2.486 0.02 . 2 . . . A 277 ASN HB3 . 17911 1 988 . 1 1 91 91 ASN HD21 H 1 7.278 0.02 . 2 . . . A 277 ASN HD21 . 17911 1 989 . 1 1 91 91 ASN HD22 H 1 6.783 0.02 . 2 . . . A 277 ASN HD22 . 17911 1 990 . 1 1 91 91 ASN CA C 13 53.983 0.2 . 1 . . . A 277 ASN CA . 17911 1 991 . 1 1 91 91 ASN CB C 13 37.987 0.2 . 1 . . . A 277 ASN CB . 17911 1 992 . 1 1 91 91 ASN N N 15 118.020 0.2 . 1 . . . A 277 ASN N . 17911 1 993 . 1 1 91 91 ASN ND2 N 15 112.614 0.2 . 1 . . . A 277 ASN ND2 . 17911 1 994 . 1 1 92 92 GLY H H 1 8.538 0.02 . 1 . . . A 278 GLY H . 17911 1 995 . 1 1 92 92 GLY HA2 H 1 4.009 0.02 . 2 . . . A 278 GLY HA2 . 17911 1 996 . 1 1 92 92 GLY HA3 H 1 3.582 0.02 . 2 . . . A 278 GLY HA3 . 17911 1 997 . 1 1 92 92 GLY CA C 13 45.645 0.2 . 1 . . . A 278 GLY CA . 17911 1 998 . 1 1 92 92 GLY N N 15 104.906 0.2 . 1 . . . A 278 GLY N . 17911 1 999 . 1 1 93 93 ARG H H 1 7.257 0.02 . 1 . . . A 279 ARG H . 17911 1 1000 . 1 1 93 93 ARG HA H 1 4.237 0.02 . 1 . . . A 279 ARG HA . 17911 1 1001 . 1 1 93 93 ARG HB2 H 1 1.192 0.02 . 2 . . . A 279 ARG HB2 . 17911 1 1002 . 1 1 93 93 ARG HB3 H 1 1.101 0.02 . 2 . . . A 279 ARG HB3 . 17911 1 1003 . 1 1 93 93 ARG HG2 H 1 0.986 0.02 . 2 . . . A 279 ARG HG2 . 17911 1 1004 . 1 1 93 93 ARG HD2 H 1 1.902 0.02 . 2 . . . A 279 ARG HD2 . 17911 1 1005 . 1 1 93 93 ARG HD3 H 1 1.772 0.02 . 2 . . . A 279 ARG HD3 . 17911 1 1006 . 1 1 93 93 ARG CA C 13 55.344 0.2 . 1 . . . A 279 ARG CA . 17911 1 1007 . 1 1 93 93 ARG CB C 13 31.491 0.2 . 1 . . . A 279 ARG CB . 17911 1 1008 . 1 1 93 93 ARG CG C 13 26.948 0.2 . 1 . . . A 279 ARG CG . 17911 1 1009 . 1 1 93 93 ARG CD C 13 42.259 0.2 . 1 . . . A 279 ARG CD . 17911 1 1010 . 1 1 93 93 ARG N N 15 120.056 0.2 . 1 . . . A 279 ARG N . 17911 1 1011 . 1 1 94 94 THR H H 1 7.726 0.02 . 1 . . . A 280 THR H . 17911 1 1012 . 1 1 94 94 THR HA H 1 5.028 0.02 . 1 . . . A 280 THR HA . 17911 1 1013 . 1 1 94 94 THR HB H 1 3.800 0.02 . 1 . . . A 280 THR HB . 17911 1 1014 . 1 1 94 94 THR HG21 H 1 0.919 0.02 . 1 . . . A 280 THR HG21 . 17911 1 1015 . 1 1 94 94 THR HG22 H 1 0.919 0.02 . 1 . . . A 280 THR HG22 . 17911 1 1016 . 1 1 94 94 THR HG23 H 1 0.919 0.02 . 1 . . . A 280 THR HG23 . 17911 1 1017 . 1 1 94 94 THR CA C 13 59.684 0.2 . 1 . . . A 280 THR CA . 17911 1 1018 . 1 1 94 94 THR CB C 13 72.787 0.2 . 1 . . . A 280 THR CB . 17911 1 1019 . 1 1 94 94 THR CG2 C 13 21.778 0.2 . 1 . . . A 280 THR CG2 . 17911 1 1020 . 1 1 94 94 THR N N 15 106.223 0.2 . 1 . . . A 280 THR N . 17911 1 1021 . 1 1 95 95 ILE H H 1 8.761 0.02 . 1 . . . A 281 ILE H . 17911 1 1022 . 1 1 95 95 ILE HA H 1 4.301 0.02 . 1 . . . A 281 ILE HA . 17911 1 1023 . 1 1 95 95 ILE HB H 1 1.675 0.02 . 1 . . . A 281 ILE HB . 17911 1 1024 . 1 1 95 95 ILE HG12 H 1 0.708 0.02 . 1 . . . A 281 ILE HG12 . 17911 1 1025 . 1 1 95 95 ILE HG13 H 1 1.838 0.02 . 1 . . . A 281 ILE HG13 . 17911 1 1026 . 1 1 95 95 ILE HG21 H 1 -0.100 0.02 . 1 . . . A 281 ILE HG21 . 17911 1 1027 . 1 1 95 95 ILE HG22 H 1 -0.100 0.02 . 1 . . . A 281 ILE HG22 . 17911 1 1028 . 1 1 95 95 ILE HG23 H 1 -0.100 0.02 . 1 . . . A 281 ILE HG23 . 17911 1 1029 . 1 1 95 95 ILE HD11 H 1 0.064 0.02 . 1 . . . A 281 ILE HD11 . 17911 1 1030 . 1 1 95 95 ILE HD12 H 1 0.064 0.02 . 1 . . . A 281 ILE HD12 . 17911 1 1031 . 1 1 95 95 ILE HD13 H 1 0.064 0.02 . 1 . . . A 281 ILE HD13 . 17911 1 1032 . 1 1 95 95 ILE CA C 13 62.066 0.2 . 1 . . . A 281 ILE CA . 17911 1 1033 . 1 1 95 95 ILE CB C 13 40.539 0.2 . 1 . . . A 281 ILE CB . 17911 1 1034 . 1 1 95 95 ILE CG1 C 13 29.086 0.2 . 1 . . . A 281 ILE CG1 . 17911 1 1035 . 1 1 95 95 ILE CG2 C 13 18.137 0.2 . 1 . . . A 281 ILE CG2 . 17911 1 1036 . 1 1 95 95 ILE CD1 C 13 14.302 0.2 . 1 . . . A 281 ILE CD1 . 17911 1 1037 . 1 1 95 95 ILE N N 15 121.214 0.2 . 1 . . . A 281 ILE N . 17911 1 1038 . 1 1 96 96 LEU H H 1 9.905 0.02 . 1 . . . A 282 LEU H . 17911 1 1039 . 1 1 96 96 LEU HA H 1 3.850 0.02 . 1 . . . A 282 LEU HA . 17911 1 1040 . 1 1 96 96 LEU HB2 H 1 1.858 0.02 . 2 . . . A 282 LEU HB2 . 17911 1 1041 . 1 1 96 96 LEU HB3 H 1 1.644 0.02 . 2 . . . A 282 LEU HB3 . 17911 1 1042 . 1 1 96 96 LEU HG H 1 1.323 0.02 . 1 . . . A 282 LEU HG . 17911 1 1043 . 1 1 96 96 LEU HD11 H 1 0.299 0.02 . 2 . . . A 282 LEU HD11 . 17911 1 1044 . 1 1 96 96 LEU HD12 H 1 0.299 0.02 . 2 . . . A 282 LEU HD12 . 17911 1 1045 . 1 1 96 96 LEU HD13 H 1 0.299 0.02 . 2 . . . A 282 LEU HD13 . 17911 1 1046 . 1 1 96 96 LEU HD21 H 1 0.710 0.02 . 2 . . . A 282 LEU HD21 . 17911 1 1047 . 1 1 96 96 LEU HD22 H 1 0.710 0.02 . 2 . . . A 282 LEU HD22 . 17911 1 1048 . 1 1 96 96 LEU HD23 H 1 0.710 0.02 . 2 . . . A 282 LEU HD23 . 17911 1 1049 . 1 1 96 96 LEU CA C 13 55.344 0.2 . 1 . . . A 282 LEU CA . 17911 1 1050 . 1 1 96 96 LEU CB C 13 40.539 0.2 . 1 . . . A 282 LEU CB . 17911 1 1051 . 1 1 96 96 LEU CG C 13 27.070 0.2 . 1 . . . A 282 LEU CG . 17911 1 1052 . 1 1 96 96 LEU CD1 C 13 24.759 0.2 . 1 . . . A 282 LEU CD1 . 17911 1 1053 . 1 1 96 96 LEU CD2 C 13 23.481 0.2 . 1 . . . A 282 LEU CD2 . 17911 1 1054 . 1 1 96 96 LEU N N 15 128.347 0.2 . 1 . . . A 282 LEU N . 17911 1 1055 . 1 1 97 97 GLY H H 1 8.937 0.02 . 1 . . . A 283 GLY H . 17911 1 1056 . 1 1 97 97 GLY HA2 H 1 4.231 0.02 . 2 . . . A 283 GLY HA2 . 17911 1 1057 . 1 1 97 97 GLY HA3 H 1 3.600 0.02 . 2 . . . A 283 GLY HA3 . 17911 1 1058 . 1 1 97 97 GLY CA C 13 45.645 0.2 . 1 . . . A 283 GLY CA . 17911 1 1059 . 1 1 97 97 GLY N N 15 103.322 0.2 . 1 . . . A 283 GLY N . 17911 1 1060 . 1 1 98 98 SER H H 1 8.612 0.02 . 1 . . . A 284 SER H . 17911 1 1061 . 1 1 98 98 SER HA H 1 4.950 0.02 . 1 . . . A 284 SER HA . 17911 1 1062 . 1 1 98 98 SER HB2 H 1 4.590 0.02 . 2 . . . A 284 SER HB2 . 17911 1 1063 . 1 1 98 98 SER HB3 H 1 4.156 0.02 . 2 . . . A 284 SER HB3 . 17911 1 1064 . 1 1 98 98 SER CA C 13 56.961 0.2 . 1 . . . A 284 SER CA . 17911 1 1065 . 1 1 98 98 SER CB C 13 65.044 0.2 . 1 . . . A 284 SER CB . 17911 1 1066 . 1 1 98 98 SER N N 15 116.619 0.2 . 1 . . . A 284 SER N . 17911 1 1067 . 1 1 99 99 THR H H 1 8.601 0.02 . 1 . . . A 285 THR H . 17911 1 1068 . 1 1 99 99 THR HA H 1 4.598 0.02 . 1 . . . A 285 THR HA . 17911 1 1069 . 1 1 99 99 THR HB H 1 4.517 0.02 . 1 . . . A 285 THR HB . 17911 1 1070 . 1 1 99 99 THR HG21 H 1 1.172 0.02 . 1 . . . A 285 THR HG21 . 17911 1 1071 . 1 1 99 99 THR HG22 H 1 1.172 0.02 . 1 . . . A 285 THR HG22 . 17911 1 1072 . 1 1 99 99 THR HG23 H 1 1.172 0.02 . 1 . . . A 285 THR HG23 . 17911 1 1073 . 1 1 99 99 THR CA C 13 61.739 0.2 . 1 . . . A 285 THR CA . 17911 1 1074 . 1 1 99 99 THR CB C 13 69.214 0.2 . 1 . . . A 285 THR CB . 17911 1 1075 . 1 1 99 99 THR CG2 C 13 22.293 0.2 . 1 . . . A 285 THR CG2 . 17911 1 1076 . 1 1 99 99 THR N N 15 114.513 0.2 . 1 . . . A 285 THR N . 17911 1 1077 . 1 1 100 100 ILE H H 1 7.931 0.02 . 1 . . . A 286 ILE H . 17911 1 1078 . 1 1 100 100 ILE HA H 1 4.496 0.02 . 1 . . . A 286 ILE HA . 17911 1 1079 . 1 1 100 100 ILE HB H 1 1.688 0.02 . 1 . . . A 286 ILE HB . 17911 1 1080 . 1 1 100 100 ILE HG12 H 1 1.027 0.02 . 1 . . . A 286 ILE HG12 . 17911 1 1081 . 1 1 100 100 ILE HG13 H 1 0.877 0.02 . 1 . . . A 286 ILE HG13 . 17911 1 1082 . 1 1 100 100 ILE HG21 H 1 0.765 0.02 . 1 . . . A 286 ILE HG21 . 17911 1 1083 . 1 1 100 100 ILE HG22 H 1 0.765 0.02 . 1 . . . A 286 ILE HG22 . 17911 1 1084 . 1 1 100 100 ILE HG23 H 1 0.765 0.02 . 1 . . . A 286 ILE HG23 . 17911 1 1085 . 1 1 100 100 ILE HD11 H 1 0.666 0.02 . 1 . . . A 286 ILE HD11 . 17911 1 1086 . 1 1 100 100 ILE HD12 H 1 0.666 0.02 . 1 . . . A 286 ILE HD12 . 17911 1 1087 . 1 1 100 100 ILE HD13 H 1 0.666 0.02 . 1 . . . A 286 ILE HD13 . 17911 1 1088 . 1 1 100 100 ILE CA C 13 59.173 0.2 . 1 . . . A 286 ILE CA . 17911 1 1089 . 1 1 100 100 ILE CB C 13 41.887 0.2 . 1 . . . A 286 ILE CB . 17911 1 1090 . 1 1 100 100 ILE CG1 C 13 26.044 0.2 . 1 . . . A 286 ILE CG1 . 17911 1 1091 . 1 1 100 100 ILE CG2 C 13 18.003 0.2 . 1 . . . A 286 ILE CG2 . 17911 1 1092 . 1 1 100 100 ILE CD1 C 13 13.588 0.2 . 1 . . . A 286 ILE CD1 . 17911 1 1093 . 1 1 100 100 ILE N N 15 117.511 0.2 . 1 . . . A 286 ILE N . 17911 1 1094 . 1 1 101 101 LEU H H 1 8.025 0.02 . 1 . . . A 287 LEU H . 17911 1 1095 . 1 1 101 101 LEU HA H 1 4.157 0.02 . 1 . . . A 287 LEU HA . 17911 1 1096 . 1 1 101 101 LEU HB2 H 1 1.759 0.02 . 2 . . . A 287 LEU HB2 . 17911 1 1097 . 1 1 101 101 LEU HB3 H 1 1.114 0.02 . 2 . . . A 287 LEU HB3 . 17911 1 1098 . 1 1 101 101 LEU HG H 1 1.729 0.02 . 1 . . . A 287 LEU HG . 17911 1 1099 . 1 1 101 101 LEU HD11 H 1 0.832 0.02 . 2 . . . A 287 LEU HD11 . 17911 1 1100 . 1 1 101 101 LEU HD12 H 1 0.832 0.02 . 2 . . . A 287 LEU HD12 . 17911 1 1101 . 1 1 101 101 LEU HD13 H 1 0.832 0.02 . 2 . . . A 287 LEU HD13 . 17911 1 1102 . 1 1 101 101 LEU HD21 H 1 0.772 0.02 . 2 . . . A 287 LEU HD21 . 17911 1 1103 . 1 1 101 101 LEU HD22 H 1 0.772 0.02 . 2 . . . A 287 LEU HD22 . 17911 1 1104 . 1 1 101 101 LEU HD23 H 1 0.772 0.02 . 2 . . . A 287 LEU HD23 . 17911 1 1105 . 1 1 101 101 LEU CA C 13 54.520 0.2 . 1 . . . A 287 LEU CA . 17911 1 1106 . 1 1 101 101 LEU CB C 13 40.083 0.2 . 1 . . . A 287 LEU CB . 17911 1 1107 . 1 1 101 101 LEU CG C 13 26.934 0.2 . 1 . . . A 287 LEU CG . 17911 1 1108 . 1 1 101 101 LEU CD1 C 13 24.872 0.2 . 1 . . . A 287 LEU CD1 . 17911 1 1109 . 1 1 101 101 LEU CD2 C 13 26.110 0.2 . 1 . . . A 287 LEU CD2 . 17911 1 1110 . 1 1 101 101 LEU N N 15 121.101 0.2 . 1 . . . A 287 LEU N . 17911 1 1111 . 1 1 102 102 GLU HA H 1 3.720 0.02 . 1 . . . A 288 GLU HA . 17911 1 1112 . 1 1 102 102 GLU HB2 H 1 -0.224 0.02 . 2 . . . A 288 GLU HB2 . 17911 1 1113 . 1 1 102 102 GLU HB3 H 1 0.735 0.02 . 2 . . . A 288 GLU HB3 . 17911 1 1114 . 1 1 102 102 GLU HG2 H 1 1.686 0.02 . 2 . . . A 288 GLU HG2 . 17911 1 1115 . 1 1 102 102 GLU CA C 13 55.770 0.2 . 1 . . . A 288 GLU CA . 17911 1 1116 . 1 1 102 102 GLU CB C 13 29.904 0.2 . 1 . . . A 288 GLU CB . 17911 1 1117 . 1 1 102 102 GLU CG C 13 35.233 0.2 . 1 . . . A 288 GLU CG . 17911 1 1118 . 1 1 103 103 ASP H H 1 8.014 0.02 . 1 . . . A 289 ASP H . 17911 1 1119 . 1 1 103 103 ASP HA H 1 4.513 0.02 . 1 . . . A 289 ASP HA . 17911 1 1120 . 1 1 103 103 ASP HB2 H 1 3.012 0.02 . 2 . . . A 289 ASP HB2 . 17911 1 1121 . 1 1 103 103 ASP HB3 H 1 1.931 0.02 . 2 . . . A 289 ASP HB3 . 17911 1 1122 . 1 1 103 103 ASP CA C 13 52.281 0.2 . 1 . . . A 289 ASP CA . 17911 1 1123 . 1 1 103 103 ASP CB C 13 42.922 0.2 . 1 . . . A 289 ASP CB . 17911 1 1124 . 1 1 103 103 ASP N N 15 121.287 0.2 . 1 . . . A 289 ASP N . 17911 1 1125 . 1 1 104 104 GLU H H 1 7.432 0.02 . 1 . . . A 290 GLU H . 17911 1 1126 . 1 1 104 104 GLU HA H 1 3.904 0.02 . 1 . . . A 290 GLU HA . 17911 1 1127 . 1 1 104 104 GLU HB2 H 1 1.517 0.02 . 2 . . . A 290 GLU HB2 . 17911 1 1128 . 1 1 104 104 GLU HB3 H 1 1.203 0.02 . 2 . . . A 290 GLU HB3 . 17911 1 1129 . 1 1 104 104 GLU HG2 H 1 1.542 0.02 . 2 . . . A 290 GLU HG2 . 17911 1 1130 . 1 1 104 104 GLU CA C 13 57.614 0.2 . 1 . . . A 290 GLU CA . 17911 1 1131 . 1 1 104 104 GLU CB C 13 30.499 0.2 . 1 . . . A 290 GLU CB . 17911 1 1132 . 1 1 104 104 GLU CG C 13 35.700 0.2 . 1 . . . A 290 GLU CG . 17911 1 1133 . 1 1 104 104 GLU N N 15 118.245 0.2 . 1 . . . A 290 GLU N . 17911 1 1134 . 1 1 105 105 PHE H H 1 8.835 0.02 . 1 . . . A 291 PHE H . 17911 1 1135 . 1 1 105 105 PHE HA H 1 4.838 0.02 . 1 . . . A 291 PHE HA . 17911 1 1136 . 1 1 105 105 PHE HB2 H 1 2.976 0.02 . 2 . . . A 291 PHE HB2 . 17911 1 1137 . 1 1 105 105 PHE HB3 H 1 2.916 0.02 . 2 . . . A 291 PHE HB3 . 17911 1 1138 . 1 1 105 105 PHE HD2 H 1 7.200 0.02 . 3 . . . A 291 PHE HD2 . 17911 1 1139 . 1 1 105 105 PHE HE2 H 1 6.264 0.02 . 3 . . . A 291 PHE HE2 . 17911 1 1140 . 1 1 105 105 PHE CA C 13 56.536 0.2 . 1 . . . A 291 PHE CA . 17911 1 1141 . 1 1 105 105 PHE CB C 13 39.774 0.2 . 1 . . . A 291 PHE CB . 17911 1 1142 . 1 1 105 105 PHE N N 15 120.606 0.2 . 1 . . . A 291 PHE N . 17911 1 1143 . 1 1 106 106 THR H H 1 8.757 0.02 . 1 . . . A 292 THR H . 17911 1 1144 . 1 1 106 106 THR HA H 1 4.670 0.02 . 1 . . . A 292 THR HA . 17911 1 1145 . 1 1 106 106 THR HB H 1 4.637 0.02 . 1 . . . A 292 THR HB . 17911 1 1146 . 1 1 106 106 THR HG21 H 1 1.401 0.02 . 1 . . . A 292 THR HG21 . 17911 1 1147 . 1 1 106 106 THR HG22 H 1 1.401 0.02 . 1 . . . A 292 THR HG22 . 17911 1 1148 . 1 1 106 106 THR HG23 H 1 1.401 0.02 . 1 . . . A 292 THR HG23 . 17911 1 1149 . 1 1 106 106 THR CA C 13 59.344 0.2 . 1 . . . A 292 THR CA . 17911 1 1150 . 1 1 106 106 THR CB C 13 69.299 0.2 . 1 . . . A 292 THR CB . 17911 1 1151 . 1 1 106 106 THR CG2 C 13 21.778 0.2 . 1 . . . A 292 THR CG2 . 17911 1 1152 . 1 1 106 106 THR N N 15 111.349 0.2 . 1 . . . A 292 THR N . 17911 1 1153 . 1 1 107 107 PRO HA H 1 3.988 0.02 . 1 . . . A 293 PRO HA . 17911 1 1154 . 1 1 107 107 PRO HB2 H 1 2.009 0.02 . 2 . . . A 293 PRO HB2 . 17911 1 1155 . 1 1 107 107 PRO HB3 H 1 1.485 0.02 . 2 . . . A 293 PRO HB3 . 17911 1 1156 . 1 1 107 107 PRO HG2 H 1 1.790 0.02 . 2 . . . A 293 PRO HG2 . 17911 1 1157 . 1 1 107 107 PRO HG3 H 1 1.859 0.02 . 2 . . . A 293 PRO HG3 . 17911 1 1158 . 1 1 107 107 PRO HD2 H 1 3.793 0.02 . 2 . . . A 293 PRO HD2 . 17911 1 1159 . 1 1 107 107 PRO CA C 13 65.606 0.2 . 1 . . . A 293 PRO CA . 17911 1 1160 . 1 1 107 107 PRO CB C 13 31.321 0.2 . 1 . . . A 293 PRO CB . 17911 1 1161 . 1 1 107 107 PRO CG C 13 28.380 0.2 . 1 . . . A 293 PRO CG . 17911 1 1162 . 1 1 107 107 PRO CD C 13 49.364 0.2 . 1 . . . A 293 PRO CD . 17911 1 1163 . 1 1 108 108 PHE H H 1 7.310 0.02 . 1 . . . A 294 PHE H . 17911 1 1164 . 1 1 108 108 PHE HA H 1 4.201 0.02 . 1 . . . A 294 PHE HA . 17911 1 1165 . 1 1 108 108 PHE HB2 H 1 3.121 0.02 . 2 . . . A 294 PHE HB2 . 17911 1 1166 . 1 1 108 108 PHE HB3 H 1 2.947 0.02 . 2 . . . A 294 PHE HB3 . 17911 1 1167 . 1 1 108 108 PHE HD1 H 1 7.209 0.02 . 3 . . . A 294 PHE HD1 . 17911 1 1168 . 1 1 108 108 PHE CA C 13 59.676 0.2 . 1 . . . A 294 PHE CA . 17911 1 1169 . 1 1 108 108 PHE CB C 13 38.582 0.2 . 1 . . . A 294 PHE CB . 17911 1 1170 . 1 1 108 108 PHE N N 15 114.627 0.2 . 1 . . . A 294 PHE N . 17911 1 1171 . 1 1 109 109 ASP H H 1 7.837 0.02 . 1 . . . A 295 ASP H . 17911 1 1172 . 1 1 109 109 ASP HA H 1 4.404 0.02 . 1 . . . A 295 ASP HA . 17911 1 1173 . 1 1 109 109 ASP HB2 H 1 3.077 0.02 . 2 . . . A 295 ASP HB2 . 17911 1 1174 . 1 1 109 109 ASP HB3 H 1 2.734 0.02 . 2 . . . A 295 ASP HB3 . 17911 1 1175 . 1 1 109 109 ASP CA C 13 57.098 0.2 . 1 . . . A 295 ASP CA . 17911 1 1176 . 1 1 109 109 ASP CB C 13 41.475 0.2 . 1 . . . A 295 ASP CB . 17911 1 1177 . 1 1 109 109 ASP N N 15 120.210 0.2 . 1 . . . A 295 ASP N . 17911 1 1178 . 1 1 110 110 VAL H H 1 7.945 0.02 . 1 . . . A 296 VAL H . 17911 1 1179 . 1 1 110 110 VAL HA H 1 3.602 0.02 . 1 . . . A 296 VAL HA . 17911 1 1180 . 1 1 110 110 VAL HB H 1 2.037 0.02 . 1 . . . A 296 VAL HB . 17911 1 1181 . 1 1 110 110 VAL HG21 H 1 0.922 0.02 . 2 . . . A 296 VAL HG21 . 17911 1 1182 . 1 1 110 110 VAL HG22 H 1 0.922 0.02 . 2 . . . A 296 VAL HG22 . 17911 1 1183 . 1 1 110 110 VAL HG23 H 1 0.922 0.02 . 2 . . . A 296 VAL HG23 . 17911 1 1184 . 1 1 110 110 VAL CA C 13 66.491 0.2 . 1 . . . A 296 VAL CA . 17911 1 1185 . 1 1 110 110 VAL CB C 13 31.605 0.2 . 1 . . . A 296 VAL CB . 17911 1 1186 . 1 1 110 110 VAL CG2 C 13 21.778 0.2 . 1 . . . A 296 VAL CG2 . 17911 1 1187 . 1 1 110 110 VAL N N 15 119.070 0.2 . 1 . . . A 296 VAL N . 17911 1 1188 . 1 1 111 111 VAL H H 1 8.109 0.02 . 1 . . . A 297 VAL H . 17911 1 1189 . 1 1 111 111 VAL HA H 1 3.601 0.02 . 1 . . . A 297 VAL HA . 17911 1 1190 . 1 1 111 111 VAL HB H 1 2.010 0.02 . 1 . . . A 297 VAL HB . 17911 1 1191 . 1 1 111 111 VAL HG11 H 1 0.910 0.02 . 2 . . . A 297 VAL HG11 . 17911 1 1192 . 1 1 111 111 VAL HG12 H 1 0.910 0.02 . 2 . . . A 297 VAL HG12 . 17911 1 1193 . 1 1 111 111 VAL HG13 H 1 0.910 0.02 . 2 . . . A 297 VAL HG13 . 17911 1 1194 . 1 1 111 111 VAL HG21 H 1 0.912 0.02 . 2 . . . A 297 VAL HG21 . 17911 1 1195 . 1 1 111 111 VAL HG22 H 1 0.912 0.02 . 2 . . . A 297 VAL HG22 . 17911 1 1196 . 1 1 111 111 VAL HG23 H 1 0.912 0.02 . 2 . . . A 297 VAL HG23 . 17911 1 1197 . 1 1 111 111 VAL CA C 13 66.379 0.2 . 1 . . . A 297 VAL CA . 17911 1 1198 . 1 1 111 111 VAL CB C 13 31.605 0.2 . 1 . . . A 297 VAL CB . 17911 1 1199 . 1 1 111 111 VAL CG1 C 13 22.551 0.2 . 1 . . . A 297 VAL CG1 . 17911 1 1200 . 1 1 111 111 VAL CG2 C 13 21.778 0.2 . 1 . . . A 297 VAL CG2 . 17911 1 1201 . 1 1 111 111 VAL N N 15 119.540 0.2 . 1 . . . A 297 VAL N . 17911 1 1202 . 1 1 112 112 ARG H H 1 7.710 0.02 . 1 . . . A 298 ARG H . 17911 1 1203 . 1 1 112 112 ARG HA H 1 4.010 0.02 . 1 . . . A 298 ARG HA . 17911 1 1204 . 1 1 112 112 ARG HB2 H 1 1.784 0.02 . 2 . . . A 298 ARG HB2 . 17911 1 1205 . 1 1 112 112 ARG HB3 H 1 1.803 0.02 . 2 . . . A 298 ARG HB3 . 17911 1 1206 . 1 1 112 112 ARG HG2 H 1 1.568 0.02 . 2 . . . A 298 ARG HG2 . 17911 1 1207 . 1 1 112 112 ARG HG3 H 1 1.490 0.02 . 2 . . . A 298 ARG HG3 . 17911 1 1208 . 1 1 112 112 ARG HD2 H 1 3.084 0.02 . 2 . . . A 298 ARG HD2 . 17911 1 1209 . 1 1 112 112 ARG CA C 13 58.634 0.2 . 1 . . . A 298 ARG CA . 17911 1 1210 . 1 1 112 112 ARG CB C 13 30.028 0.2 . 1 . . . A 298 ARG CB . 17911 1 1211 . 1 1 112 112 ARG CG C 13 27.450 0.2 . 1 . . . A 298 ARG CG . 17911 1 1212 . 1 1 112 112 ARG CD C 13 43.454 0.2 . 1 . . . A 298 ARG CD . 17911 1 1213 . 1 1 112 112 ARG N N 15 119.680 0.2 . 1 . . . A 298 ARG N . 17911 1 1214 . 1 1 113 113 GLN H H 1 8.033 0.02 . 1 . . . A 299 GLN H . 17911 1 1215 . 1 1 113 113 GLN HA H 1 4.158 0.02 . 1 . . . A 299 GLN HA . 17911 1 1216 . 1 1 113 113 GLN HB2 H 1 2.077 0.02 . 2 . . . A 299 GLN HB2 . 17911 1 1217 . 1 1 113 113 GLN HG2 H 1 2.418 0.02 . 2 . . . A 299 GLN HG2 . 17911 1 1218 . 1 1 113 113 GLN HG3 H 1 2.311 0.02 . 2 . . . A 299 GLN HG3 . 17911 1 1219 . 1 1 113 113 GLN CA C 13 57.557 0.2 . 1 . . . A 299 GLN CA . 17911 1 1220 . 1 1 113 113 GLN CB C 13 29.308 0.2 . 1 . . . A 299 GLN CB . 17911 1 1221 . 1 1 113 113 GLN CG C 13 33.970 0.2 . 1 . . . A 299 GLN CG . 17911 1 1222 . 1 1 113 113 GLN N N 15 117.786 0.2 . 1 . . . A 299 GLN N . 17911 1 1223 . 1 1 114 114 CYS H H 1 8.071 0.02 . 1 . . . A 300 CYS H . 17911 1 1224 . 1 1 114 114 CYS HA H 1 4.470 0.02 . 1 . . . A 300 CYS HA . 17911 1 1225 . 1 1 114 114 CYS HB2 H 1 2.935 0.02 . 2 . . . A 300 CYS HB2 . 17911 1 1226 . 1 1 114 114 CYS HB3 H 1 2.816 0.02 . 2 . . . A 300 CYS HB3 . 17911 1 1227 . 1 1 114 114 CYS CA C 13 59.934 0.2 . 1 . . . A 300 CYS CA . 17911 1 1228 . 1 1 114 114 CYS CB C 13 28.293 0.2 . 1 . . . A 300 CYS CB . 17911 1 1229 . 1 1 114 114 CYS N N 15 115.786 0.2 . 1 . . . A 300 CYS N . 17911 1 1230 . 1 1 115 115 SER H H 1 7.883 0.02 . 1 . . . A 301 SER H . 17911 1 1231 . 1 1 115 115 SER HA H 1 4.407 0.02 . 1 . . . A 301 SER HA . 17911 1 1232 . 1 1 115 115 SER HB2 H 1 3.899 0.02 . 2 . . . A 301 SER HB2 . 17911 1 1233 . 1 1 115 115 SER CA C 13 59.485 0.2 . 1 . . . A 301 SER CA . 17911 1 1234 . 1 1 115 115 SER CB C 13 63.286 0.2 . 1 . . . A 301 SER CB . 17911 1 1235 . 1 1 115 115 SER N N 15 116.258 0.2 . 1 . . . A 301 SER N . 17911 1 1236 . 1 1 116 116 GLY H H 1 8.355 0.02 . 1 . . . A 302 GLY H . 17911 1 1237 . 1 1 116 116 GLY HA2 H 1 3.920 0.02 . 2 . . . A 302 GLY HA2 . 17911 1 1238 . 1 1 116 116 GLY CA C 13 45.239 0.2 . 1 . . . A 302 GLY CA . 17911 1 1239 . 1 1 116 116 GLY N N 15 110.709 0.2 . 1 . . . A 302 GLY N . 17911 1 1240 . 1 1 117 117 VAL H H 1 7.710 0.02 . 1 . . . A 303 VAL H . 17911 1 1241 . 1 1 117 117 VAL HA H 1 4.057 0.02 . 1 . . . A 303 VAL HA . 17911 1 1242 . 1 1 117 117 VAL HB H 1 1.927 0.02 . 1 . . . A 303 VAL HB . 17911 1 1243 . 1 1 117 117 VAL HG11 H 1 0.733 0.02 . 2 . . . A 303 VAL HG11 . 17911 1 1244 . 1 1 117 117 VAL HG12 H 1 0.733 0.02 . 2 . . . A 303 VAL HG12 . 17911 1 1245 . 1 1 117 117 VAL HG13 H 1 0.733 0.02 . 2 . . . A 303 VAL HG13 . 17911 1 1246 . 1 1 117 117 VAL HG21 H 1 0.800 0.02 . 2 . . . A 303 VAL HG21 . 17911 1 1247 . 1 1 117 117 VAL HG22 H 1 0.800 0.02 . 2 . . . A 303 VAL HG22 . 17911 1 1248 . 1 1 117 117 VAL HG23 H 1 0.800 0.02 . 2 . . . A 303 VAL HG23 . 17911 1 1249 . 1 1 117 117 VAL CA C 13 62.236 0.2 . 1 . . . A 303 VAL CA . 17911 1 1250 . 1 1 117 117 VAL CB C 13 32.626 0.2 . 1 . . . A 303 VAL CB . 17911 1 1251 . 1 1 117 117 VAL CG1 C 13 21.262 0.2 . 1 . . . A 303 VAL CG1 . 17911 1 1252 . 1 1 117 117 VAL CG2 C 13 20.489 0.2 . 1 . . . A 303 VAL CG2 . 17911 1 1253 . 1 1 117 117 VAL N N 15 119.189 0.2 . 1 . . . A 303 VAL N . 17911 1 1254 . 1 1 118 118 THR H H 1 8.109 0.02 . 1 . . . A 304 THR H . 17911 1 1255 . 1 1 118 118 THR HA H 1 4.279 0.02 . 1 . . . A 304 THR HA . 17911 1 1256 . 1 1 118 118 THR HB H 1 4.040 0.02 . 1 . . . A 304 THR HB . 17911 1 1257 . 1 1 118 118 THR HG21 H 1 1.069 0.02 . 1 . . . A 304 THR HG21 . 17911 1 1258 . 1 1 118 118 THR HG22 H 1 1.069 0.02 . 1 . . . A 304 THR HG22 . 17911 1 1259 . 1 1 118 118 THR HG23 H 1 1.069 0.02 . 1 . . . A 304 THR HG23 . 17911 1 1260 . 1 1 118 118 THR CA C 13 61.556 0.2 . 1 . . . A 304 THR CA . 17911 1 1261 . 1 1 118 118 THR CB C 13 69.894 0.2 . 1 . . . A 304 THR CB . 17911 1 1262 . 1 1 118 118 THR CG2 C 13 21.520 0.2 . 1 . . . A 304 THR CG2 . 17911 1 1263 . 1 1 118 118 THR N N 15 118.009 0.2 . 1 . . . A 304 THR N . 17911 1 1264 . 1 1 119 119 PHE H H 1 8.298 0.02 . 1 . . . A 305 PHE H . 17911 1 1265 . 1 1 119 119 PHE HA H 1 4.605 0.02 . 1 . . . A 305 PHE HA . 17911 1 1266 . 1 1 119 119 PHE HB2 H 1 3.123 0.02 . 2 . . . A 305 PHE HB2 . 17911 1 1267 . 1 1 119 119 PHE HB3 H 1 2.919 0.02 . 2 . . . A 305 PHE HB3 . 17911 1 1268 . 1 1 119 119 PHE HD1 H 1 7.210 0.02 . 3 . . . A 305 PHE HD1 . 17911 1 1269 . 1 1 119 119 PHE HE1 H 1 5.720 0.02 . 3 . . . A 305 PHE HE1 . 17911 1 1270 . 1 1 119 119 PHE CA C 13 57.727 0.2 . 1 . . . A 305 PHE CA . 17911 1 1271 . 1 1 119 119 PHE CB C 13 39.859 0.2 . 1 . . . A 305 PHE CB . 17911 1 1272 . 1 1 119 119 PHE N N 15 123.287 0.2 . 1 . . . A 305 PHE N . 17911 1 1273 . 1 1 120 120 GLN H H 1 7.856 0.02 . 1 . . . A 306 GLN H . 17911 1 1274 . 1 1 120 120 GLN HA H 1 4.081 0.02 . 1 . . . A 306 GLN HA . 17911 1 1275 . 1 1 120 120 GLN HB2 H 1 1.843 0.02 . 2 . . . A 306 GLN HB2 . 17911 1 1276 . 1 1 120 120 GLN HB3 H 1 2.020 0.02 . 2 . . . A 306 GLN HB3 . 17911 1 1277 . 1 1 120 120 GLN HG2 H 1 2.188 0.02 . 2 . . . A 306 GLN HG2 . 17911 1 1278 . 1 1 120 120 GLN HE21 H 1 6.768 0.02 . 2 . . . A 306 GLN HE21 . 17911 1 1279 . 1 1 120 120 GLN HE22 H 1 7.436 0.02 . 2 . . . A 306 GLN HE22 . 17911 1 1280 . 1 1 120 120 GLN CA C 13 57.387 0.2 . 1 . . . A 306 GLN CA . 17911 1 1281 . 1 1 120 120 GLN CB C 13 30.499 0.2 . 1 . . . A 306 GLN CB . 17911 1 1282 . 1 1 120 120 GLN CG C 13 34.153 0.2 . 1 . . . A 306 GLN CG . 17911 1 1283 . 1 1 120 120 GLN N N 15 126.524 0.2 . 1 . . . A 306 GLN N . 17911 1 1284 . 1 1 120 120 GLN NE2 N 15 111.944 0.2 . 1 . . . A 306 GLN NE2 . 17911 1 stop_ save_