data_17251 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17251 _Entry.Title ; the N-terminal domain of SARS-CoV main protease ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-10-12 _Entry.Accession_date 2010-10-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'The N-terminal domain represents the residues 1-199 in the sequence of SARS-CoV main protease' _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 Shengnan Zhang . . . 17251 2 Nan Zhong . . . 17251 3 Xiaobai Ren . . . 17251 4 Changwen Jin . . . 17251 5 Bin Xia . . . 17251 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17251 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 762 17251 '15N chemical shifts' 198 17251 '1H chemical shifts' 1225 17251 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 2 . . 2012-03-13 2010-10-12 update BMRB 'update entry citation' 17251 1 . . 2011-01-18 2010-10-12 original author 'original release' 17251 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17251 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21181312 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignments of SARS-CoV main protease N-terminal domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 2 _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 143 _Citation.Page_last 145 _Citation.Year 2011 _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 Shengnan Zhang . . . 17251 1 2 Nan Zhong . . . 17251 1 3 Xiaobai Ren . . . 17251 1 4 Changwen Jin . . . 17251 1 5 Bin Xia . . . 17251 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'main protease' 17251 1 NMR 17251 1 'N-terminal domain' 17251 1 SARS-CoV 17251 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17251 _Assembly.ID 1 _Assembly.Name 'SARS-CoV main protease N-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'SARS-CoV main protease N-terminal domain' 1 $main_protease_N-terminal_domain A . yes native no no . . . 17251 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_main_protease_N-terminal_domain _Entity.Sf_category entity _Entity.Sf_framecode main_protease_N-terminal_domain _Entity.Entry_ID 17251 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name main_protease_N-terminal_domain _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 ; SGFRKMAFPSGKVEGCMVQV TCGTTTLNGLWLDDTVYCPR HVICTAEDMLNPNYEDLLIR KSNHSFLVQAGNVQLRVIGH SMQNCLLRLKVDTSNPKTPK YKFVRIQPGQTFSVLACYNG SPSGVYQCAMRPNHTIKGSF LNGSCGSVGFNIDYDCVSFC YMHHMELPTGVHAGTDLEGK FYGPFVDRQTAQAAGTDTT ; _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 199 _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" . . . . . 100.00 308 100.00 100.00 2.89e-146 . . . . 17251 1 2 no PDB 1UJ1 . "Crystal Structure Of Sars Coronavirus Main Proteinase (3clpro)" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 3 no PDB 1UK2 . "Crystal Structure Of Sars Coronavirus Main Proteinase (3clpro) At Ph8.0" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 4 no PDB 1UK3 . "Crystal Structure Of Sars Coronavirus Main Proteinase (3clpro) At Ph7.6" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 5 no PDB 1UK4 . "Crystal Structure Of Sars Coronavirus Main Proteinase (3clpro) Complexed With An Inhibitor" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 6 no PDB 1WOF . "Crystal Structure Of Sars-Cov Mpro In Complex With An Inhibitor N1" . . . . . 100.00 311 100.00 100.00 4.70e-146 . . . . 17251 1 7 no PDB 1Z1I . "Crystal Structure Of Native Sars Clpro" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 8 no PDB 1Z1J . "Crystal Structure Of Sars 3clpro C145a Mutant" . . . . . 100.00 306 99.50 99.50 3.75e-145 . . . . 17251 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 4.04e-146 . . . . 17251 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 4.04e-146 . . . . 17251 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 3.25e-146 . . . . 17251 1 12 no PDB 2ALV . "X-Ray Structural Analysis Of Sars Coronavirus 3cl Proteinase In Complex With Designed Anti-Viral Inhibitors" . . . . . 100.00 306 100.00 100.00 2.64e-146 . . . . 17251 1 13 no PDB 2AMD . "Crystal Structure Of Sars_cov Mpro In Complex With An Inhibitor N9" . . . . . 100.00 311 100.00 100.00 4.70e-146 . . . . 17251 1 14 no PDB 2AMQ . "Crystal Structure Of Sars_cov Mpro In Complex With An Inhibitor N3" . . . . . 100.00 311 100.00 100.00 4.70e-146 . . . . 17251 1 15 no PDB 2BX3 . "Crystal Structure Of Sars Coronavirus Main Proteinase (P43212)" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 16 no PDB 2BX4 . "Crystal Structure Of Sars Coronavirus Main Proteinase (P21212)" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 17 no PDB 2C3S . "Structure Of Sars Cov Main Proteinase At 1.9 A (Ph6.5)" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 18 no PDB 2D2D . "Crystal Structure Of Sars-Cov Mpro In Complex With An Inhibitor I2" . . . . . 100.00 311 100.00 100.00 4.70e-146 . . . . 17251 1 19 no PDB 2DUC . "Crystal Structure Of Sars Coronavirus Main Proteinase(3clpro)" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 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 4.04e-146 . . . . 17251 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 3.25e-146 . . . . 17251 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 3.25e-146 . . . . 17251 1 23 no PDB 2GX4 . "Crystal Structure Of Sars Coronavirus 3cl Protease Inhibitor Complex" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 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 4.04e-146 . . . . 17251 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 4.04e-146 . . . . 17251 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 4.04e-146 . . . . 17251 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 4.04e-146 . . . . 17251 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 4.04e-146 . . . . 17251 1 29 no PDB 2OP9 . "Substrate Specificity Profiling And Identification Of A New Class Of Inhibitor For The Major Protease Of The Sars Coronavirus" . . . . . 100.00 302 100.00 100.00 3.01e-146 . . . . 17251 1 30 no PDB 2PWX . "Crystal Structure Of G11a Mutant Of Sars-Cov 3c-Like Protease" . . . . . 100.00 308 99.50 99.50 1.81e-145 . . . . 17251 1 31 no PDB 2Q6G . "Crystal Structure Of Sars-cov Main Protease H41a Mutant In Complex With An N-terminal Substrate" . . . . . 100.00 306 99.50 99.50 6.06e-145 . . . . 17251 1 32 no PDB 2QC2 . "Crystal Structure Of Severe Acute Respiratory Syndrome (Sars) 3c-Like Protease Asn214ala Mutant" . . . . . 100.00 308 100.00 100.00 3.26e-146 . . . . 17251 1 33 no PDB 2QCY . "Crystal Structure Of A Monomeric Form Of Severe Acute Respiratory Syndrome (Sars) 3c-Like Protease Mutant" . . . . . 100.00 306 100.00 100.00 3.70e-146 . . . . 17251 1 34 no PDB 2QIQ . "Structure-Based Design And Synthesis And Biological Evaluation Of Peptidomimetic Sars-3clpro Inhibitors" . . . . . 100.00 301 99.50 100.00 8.58e-146 . . . . 17251 1 35 no PDB 2V6N . "Crystal Structures Of The Sars-Coronavirus Main Proteinase Inactivated By Benzotriazole Compounds" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 36 no PDB 2VJ1 . "A Structural View Of The Inactivation Of The Sars- Coronavirus Main Proteinase By Benzotriazole Esters" . . . . . 99.50 309 100.00 100.00 3.98e-145 . . . . 17251 1 37 no PDB 2YY4 . "Crystal Structure Of Ms8104" . . . . . 100.00 316 99.50 99.50 3.28e-145 . . . . 17251 1 38 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 4.04e-146 . . . . 17251 1 39 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 4.04e-146 . . . . 17251 1 40 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 4.04e-146 . . . . 17251 1 41 no PDB 2Z94 . "Complex Structure Of Sars-cov 3c-like Protease With Tdt" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 42 no PDB 2Z9G . "Complex Structure Of Sars-Cov 3c-Like Protease With Pma" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 43 no PDB 2Z9J . "Complex Structure Of Sars-Cov 3c-Like Protease With Epdtc" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 44 no PDB 2Z9K . "Complex Structure Of Sars-Cov 3c-Like Protease With Jmf1600" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 45 no PDB 2Z9L . "Complex Structure Of Sars-Cov 3c-Like Protease With Jmf1586" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 46 no PDB 2ZU4 . "Complex Structure Of Sars-Cov 3cl Protease With Tg-0204998" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 47 no PDB 2ZU5 . "Complex Structure Of Sars-Cov 3cl Protease With Tg-0205486" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 48 no PDB 3ATW . "Structure-based Design, Synthesis, Evaluation Of Peptide-mimetic Sars 3cl Protease Inhibitors" . . . . . 100.00 306 99.50 99.50 6.06e-145 . . . . 17251 1 49 no PDB 3AVZ . "Structure Of Sars 3cl Protease With Peptidic Aldehyde Inhibitor Containing Cyclohexyl Side Chain" . . . . . 100.00 306 99.50 99.50 6.06e-145 . . . . 17251 1 50 no PDB 3AW0 . "Structure Of Sars 3cl Protease With Peptidic Aldehyde Inhibitor" . . . . . 100.00 306 99.50 99.50 6.06e-145 . . . . 17251 1 51 no PDB 3AW1 . "Structure Of Sars 3cl Protease Auto-Proteolysis Resistant Mutant In The Absent Of Inhibitor" . . . . . 100.00 306 99.50 99.50 6.06e-145 . . . . 17251 1 52 no PDB 3D62 . "Development Of Broad-Spectrum Halomethyl Ketone Inhibitors Against Coronavirus Main Protease 3clpro" . . . . . 98.99 299 100.00 100.00 7.59e-145 . . . . 17251 1 53 no PDB 3E91 . "Crystal Structure Of Sars-Cov Mpro Mutant In P21 At Ph6.9" . . . . . 100.00 306 100.00 100.00 3.11e-146 . . . . 17251 1 54 no PDB 3EA7 . "Crystal Structure Of Sars-Cov Main Protease Triple Mutant StiA IN SPACE GROUP P21" . . . . . 100.00 306 100.00 100.00 3.11e-146 . . . . 17251 1 55 no PDB 3EA8 . "Crystal Structure Of Sars-Cov Main Protease Triple Mutant StiA IN SPACE GROUP C2" . . . . . 100.00 306 100.00 100.00 3.11e-146 . . . . 17251 1 56 no PDB 3EA9 . "Crystal Structure Of Sars-Cov Main Protease Quadruple Mutant StifA WITH ONE MOLECULE IN ONE ASYMMETRIC UNIT" . . . . . 100.00 306 100.00 100.00 2.14e-146 . . . . 17251 1 57 no PDB 3EAJ . "Crystal Structure Of Sars-Cov Main Protease Quadruple Mutant StifA WITH TWO MOLECULES IN ONE ASYMMETRIC UNIT" . . . . . 100.00 306 100.00 100.00 2.14e-146 . . . . 17251 1 58 no PDB 3F9E . "Crystal Structure Of The S139a Mutant Of Sars-Coronovirus 3c-Like Protease" . . . . . 100.00 308 99.50 100.00 8.52e-146 . . . . 17251 1 59 no PDB 3F9F . "Crystal Structure Of The F140a Mutant Of Sars-Coronovirus 3c-Like Protease At Ph 6.0" . . . . . 100.00 308 99.50 99.50 5.76e-145 . . . . 17251 1 60 no PDB 3F9G . "Crystal Structure Of The F140a Mutant Of Sars-Coronovirus 3c-Like Protease At Ph 6.5" . . . . . 100.00 303 99.50 99.50 4.25e-145 . . . . 17251 1 61 no PDB 3F9H . "Crystal Structure Of The F140a Mutant Of Sars-Coronovirus 3c-Like Protease At Ph 7.6" . . . . . 100.00 308 99.50 99.50 5.76e-145 . . . . 17251 1 62 no PDB 3FZD . "Mutation Of Asn28 Disrupts The Enzymatic Activity And Dimeri Sars 3clpro" . . . . . 100.00 301 99.50 99.50 2.95e-145 . . . . 17251 1 63 no PDB 3IWM . "The Octameric Sars-Cov Main Protease" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 64 no PDB 3M3S . "Crystal Structure Of Sars-Cov Main Protease Asn214ala Mutant With Authorize N-Terminus" . . . . . 100.00 306 100.00 100.00 3.17e-146 . . . . 17251 1 65 no PDB 3M3T . "Sars-Cov Main Protease Monomeric Arg298ala Mutant With N-Terminal Additional Residues (Gly-Ser)" . . . . . 100.00 308 100.00 100.00 3.80e-146 . . . . 17251 1 66 no PDB 3M3V . "Sars-Cov Main Protease Triple Mutant StiA WITH TWO N-Terminal Additional Residue (Gly-Ser)" . . . . . 100.00 308 100.00 100.00 3.22e-146 . . . . 17251 1 67 no PDB 3SN8 . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With Cm- Ff-H (Soaking)" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 68 no PDB 3SNA . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With Ac- Nsfsq-H (Soaking)" . . . . . 100.00 301 100.00 100.00 3.82e-146 . . . . 17251 1 69 no PDB 3SNB . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With Ac- Dsfdq-H (Soaking)" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 70 no PDB 3SNC . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With Ac- Nstsq-H (Soaking)" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 71 no PDB 3SND . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With Ac- Estlq-H (Cocrystallization)" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 72 no PDB 3SNE . "Crystal Structure Of Sars Coronavirus Main Protease Complexed With Ac- Estlq-H (Soaking)" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 73 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 4.04e-146 . . . . 17251 1 74 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 4.04e-146 . . . . 17251 1 75 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 4.04e-146 . . . . 17251 1 76 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 4.04e-146 . . . . 17251 1 77 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 4.04e-146 . . . . 17251 1 78 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 4.04e-146 . . . . 17251 1 79 no PDB 3VB3 . "Crystal Structure Of Sars-Cov 3c-Like Protease In Apo Form" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 80 no PDB 3VB4 . "Crystal Structure Of Sars-Cov 3c-Like Protease With B4z" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 81 no PDB 3VB5 . "Crystal Structure Of Sars-Cov 3c-Like Protease With C4z" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 82 no PDB 3VB6 . "Crystal Structure Of Sars-Cov 3c-Like Protease With C6z" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 83 no PDB 3VB7 . "Crystal Structure Of Sars-Cov 3c-Like Protease With M4z" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 84 no PDB 4HI3 . "Crystal Structure Of Dimeric R298a Mutant Of Sars Coronavirus Main Protease" . . . . . 100.00 315 100.00 100.00 8.01e-146 . . . . 17251 1 85 no PDB 4MDS . "Discovery Of N-(benzo[1,2,3]triazol-1-yl)-n-(benzyl)acetamido)phenyl) Carboxamides As Severe Acute Respiratory Syndrome Coronav" . . . . . 100.00 303 100.00 100.00 3.15e-146 . . . . 17251 1 86 no PDB 4TWW . "Structure Of Sars-3cl Protease Complex With A Bromobenzoyl (s,r)-n- Decalin Type Inhibitor" . . . . . 100.00 306 99.50 99.50 6.06e-145 . . . . 17251 1 87 no PDB 4TWY . "Structure Of Sars-3cl Protease Complex With A Phenylbenzoyl (s,r)-n- Decalin Type Inhibitor" . . . . . 100.00 306 99.50 99.50 6.06e-145 . . . . 17251 1 88 no PDB 4WY3 . "Structure Of Sars-3cl Protease Complex With A Phenylbenzoyl (r,s)-n- Decalin Type Inhibitor" . . . . . 100.00 306 99.50 99.50 6.06e-145 . . . . 17251 1 89 no DBJ BAC81346 . "polyprotein 1ab [SARS coronavirus TWH]" . . . . . 100.00 7073 100.00 100.00 1.63e-133 . . . . 17251 1 90 no DBJ BAC81347 . "polyprotein 1a [SARS coronavirus TWH]" . . . . . 100.00 4382 100.00 100.00 3.63e-134 . . . . 17251 1 91 no DBJ BAC81360 . "polyprotein 1ab [SARS coronavirus TWJ]" . . . . . 100.00 7073 100.00 100.00 1.63e-133 . . . . 17251 1 92 no DBJ BAC81361 . "polyprotein 1a [SARS coronavirus TWJ]" . . . . . 100.00 4382 100.00 100.00 3.63e-134 . . . . 17251 1 93 no DBJ BAC81374 . "polyprotein 1ab [SARS coronavirus TWK]" . . . . . 100.00 7073 100.00 100.00 1.63e-133 . . . . 17251 1 94 no GB AAP13439 . "nonstructural polyprotein pp1a [SARS coronavirus Urbani]" . . . . . 100.00 4382 100.00 100.00 3.63e-134 . . . . 17251 1 95 no GB AAP13442 . "nonstructural polyprotein pp1ab [SARS coronavirus Urbani]" . . . . . 100.00 7073 100.00 100.00 1.63e-133 . . . . 17251 1 96 no GB AAP13566 . "putative orf1ab polyprotein [SARS coronavirus CUHK-W1]" . . . . . 100.00 7073 100.00 100.00 1.63e-133 . . . . 17251 1 97 no GB AAP13575 . "orf1a polyprotein [SARS coronavirus CUHK-W1]" . . . . . 100.00 4382 100.00 100.00 3.63e-134 . . . . 17251 1 98 no GB AAP30028 . "orf1ab [SARS coronavirus BJ01]" . . . . . 100.00 7073 100.00 100.00 1.63e-133 . . . . 17251 1 99 no REF NP_828849 . "orf1ab polyprotein (pp1ab) [SARS coronavirus]" . . . . . 100.00 7073 100.00 100.00 1.63e-133 . . . . 17251 1 100 no REF NP_828850 . "orf1a polyprotein (pp1a) [SARS coronavirus]" . . . . . 100.00 4382 100.00 100.00 3.63e-134 . . . . 17251 1 101 no REF NP_828863 . "nsp5-pp1a/pp1ab (3CL-PRO) [SARS coronavirus]" . . . . . 100.00 306 100.00 100.00 4.04e-146 . . . . 17251 1 102 no SP P0C6F5 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 100.00 4388 99.50 100.00 1.34e-133 . . . . 17251 1 103 no SP P0C6F8 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 100.00 4376 98.99 100.00 2.07e-133 . . . . 17251 1 104 no SP P0C6T7 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 100.00 4380 99.50 99.50 3.17e-133 . . . . 17251 1 105 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 3.63e-134 . . . . 17251 1 106 no SP P0C6V9 . "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" . . . . . 100.00 7079 99.50 100.00 7.63e-133 . . . . 17251 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 . SER . 17251 1 2 . GLY . 17251 1 3 . PHE . 17251 1 4 . ARG . 17251 1 5 . LYS . 17251 1 6 . MET . 17251 1 7 . ALA . 17251 1 8 . PHE . 17251 1 9 . PRO . 17251 1 10 . SER . 17251 1 11 . GLY . 17251 1 12 . LYS . 17251 1 13 . VAL . 17251 1 14 . GLU . 17251 1 15 . GLY . 17251 1 16 . CYS . 17251 1 17 . MET . 17251 1 18 . VAL . 17251 1 19 . GLN . 17251 1 20 . VAL . 17251 1 21 . THR . 17251 1 22 . CYS . 17251 1 23 . GLY . 17251 1 24 . THR . 17251 1 25 . THR . 17251 1 26 . THR . 17251 1 27 . LEU . 17251 1 28 . ASN . 17251 1 29 . GLY . 17251 1 30 . LEU . 17251 1 31 . TRP . 17251 1 32 . LEU . 17251 1 33 . ASP . 17251 1 34 . ASP . 17251 1 35 . THR . 17251 1 36 . VAL . 17251 1 37 . TYR . 17251 1 38 . CYS . 17251 1 39 . PRO . 17251 1 40 . ARG . 17251 1 41 . HIS . 17251 1 42 . VAL . 17251 1 43 . ILE . 17251 1 44 . CYS . 17251 1 45 . THR . 17251 1 46 . ALA . 17251 1 47 . GLU . 17251 1 48 . ASP . 17251 1 49 . MET . 17251 1 50 . LEU . 17251 1 51 . ASN . 17251 1 52 . PRO . 17251 1 53 . ASN . 17251 1 54 . TYR . 17251 1 55 . GLU . 17251 1 56 . ASP . 17251 1 57 . LEU . 17251 1 58 . LEU . 17251 1 59 . ILE . 17251 1 60 . ARG . 17251 1 61 . LYS . 17251 1 62 . SER . 17251 1 63 . ASN . 17251 1 64 . HIS . 17251 1 65 . SER . 17251 1 66 . PHE . 17251 1 67 . LEU . 17251 1 68 . VAL . 17251 1 69 . GLN . 17251 1 70 . ALA . 17251 1 71 . GLY . 17251 1 72 . ASN . 17251 1 73 . VAL . 17251 1 74 . GLN . 17251 1 75 . LEU . 17251 1 76 . ARG . 17251 1 77 . VAL . 17251 1 78 . ILE . 17251 1 79 . GLY . 17251 1 80 . HIS . 17251 1 81 . SER . 17251 1 82 . MET . 17251 1 83 . GLN . 17251 1 84 . ASN . 17251 1 85 . CYS . 17251 1 86 . LEU . 17251 1 87 . LEU . 17251 1 88 . ARG . 17251 1 89 . LEU . 17251 1 90 . LYS . 17251 1 91 . VAL . 17251 1 92 . ASP . 17251 1 93 . THR . 17251 1 94 . SER . 17251 1 95 . ASN . 17251 1 96 . PRO . 17251 1 97 . LYS . 17251 1 98 . THR . 17251 1 99 . PRO . 17251 1 100 . LYS . 17251 1 101 . TYR . 17251 1 102 . LYS . 17251 1 103 . PHE . 17251 1 104 . VAL . 17251 1 105 . ARG . 17251 1 106 . ILE . 17251 1 107 . GLN . 17251 1 108 . PRO . 17251 1 109 . GLY . 17251 1 110 . GLN . 17251 1 111 . THR . 17251 1 112 . PHE . 17251 1 113 . SER . 17251 1 114 . VAL . 17251 1 115 . LEU . 17251 1 116 . ALA . 17251 1 117 . CYS . 17251 1 118 . TYR . 17251 1 119 . ASN . 17251 1 120 . GLY . 17251 1 121 . SER . 17251 1 122 . PRO . 17251 1 123 . SER . 17251 1 124 . GLY . 17251 1 125 . VAL . 17251 1 126 . TYR . 17251 1 127 . GLN . 17251 1 128 . CYS . 17251 1 129 . ALA . 17251 1 130 . MET . 17251 1 131 . ARG . 17251 1 132 . PRO . 17251 1 133 . ASN . 17251 1 134 . HIS . 17251 1 135 . THR . 17251 1 136 . ILE . 17251 1 137 . LYS . 17251 1 138 . GLY . 17251 1 139 . SER . 17251 1 140 . PHE . 17251 1 141 . LEU . 17251 1 142 . ASN . 17251 1 143 . GLY . 17251 1 144 . SER . 17251 1 145 . CYS . 17251 1 146 . GLY . 17251 1 147 . SER . 17251 1 148 . VAL . 17251 1 149 . GLY . 17251 1 150 . PHE . 17251 1 151 . ASN . 17251 1 152 . ILE . 17251 1 153 . ASP . 17251 1 154 . TYR . 17251 1 155 . ASP . 17251 1 156 . CYS . 17251 1 157 . VAL . 17251 1 158 . SER . 17251 1 159 . PHE . 17251 1 160 . CYS . 17251 1 161 . TYR . 17251 1 162 . MET . 17251 1 163 . HIS . 17251 1 164 . HIS . 17251 1 165 . MET . 17251 1 166 . GLU . 17251 1 167 . LEU . 17251 1 168 . PRO . 17251 1 169 . THR . 17251 1 170 . GLY . 17251 1 171 . VAL . 17251 1 172 . HIS . 17251 1 173 . ALA . 17251 1 174 . GLY . 17251 1 175 . THR . 17251 1 176 . ASP . 17251 1 177 . LEU . 17251 1 178 . GLU . 17251 1 179 . GLY . 17251 1 180 . LYS . 17251 1 181 . PHE . 17251 1 182 . TYR . 17251 1 183 . GLY . 17251 1 184 . PRO . 17251 1 185 . PHE . 17251 1 186 . VAL . 17251 1 187 . ASP . 17251 1 188 . ARG . 17251 1 189 . GLN . 17251 1 190 . THR . 17251 1 191 . ALA . 17251 1 192 . GLN . 17251 1 193 . ALA . 17251 1 194 . ALA . 17251 1 195 . GLY . 17251 1 196 . THR . 17251 1 197 . ASP . 17251 1 198 . THR . 17251 1 199 . THR . 17251 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 . SER 1 1 17251 1 . GLY 2 2 17251 1 . PHE 3 3 17251 1 . ARG 4 4 17251 1 . LYS 5 5 17251 1 . MET 6 6 17251 1 . ALA 7 7 17251 1 . PHE 8 8 17251 1 . PRO 9 9 17251 1 . SER 10 10 17251 1 . GLY 11 11 17251 1 . LYS 12 12 17251 1 . VAL 13 13 17251 1 . GLU 14 14 17251 1 . GLY 15 15 17251 1 . CYS 16 16 17251 1 . MET 17 17 17251 1 . VAL 18 18 17251 1 . GLN 19 19 17251 1 . VAL 20 20 17251 1 . THR 21 21 17251 1 . CYS 22 22 17251 1 . GLY 23 23 17251 1 . THR 24 24 17251 1 . THR 25 25 17251 1 . THR 26 26 17251 1 . LEU 27 27 17251 1 . ASN 28 28 17251 1 . GLY 29 29 17251 1 . LEU 30 30 17251 1 . TRP 31 31 17251 1 . LEU 32 32 17251 1 . ASP 33 33 17251 1 . ASP 34 34 17251 1 . THR 35 35 17251 1 . VAL 36 36 17251 1 . TYR 37 37 17251 1 . CYS 38 38 17251 1 . PRO 39 39 17251 1 . ARG 40 40 17251 1 . HIS 41 41 17251 1 . VAL 42 42 17251 1 . ILE 43 43 17251 1 . CYS 44 44 17251 1 . THR 45 45 17251 1 . ALA 46 46 17251 1 . GLU 47 47 17251 1 . ASP 48 48 17251 1 . MET 49 49 17251 1 . LEU 50 50 17251 1 . ASN 51 51 17251 1 . PRO 52 52 17251 1 . ASN 53 53 17251 1 . TYR 54 54 17251 1 . GLU 55 55 17251 1 . ASP 56 56 17251 1 . LEU 57 57 17251 1 . LEU 58 58 17251 1 . ILE 59 59 17251 1 . ARG 60 60 17251 1 . LYS 61 61 17251 1 . SER 62 62 17251 1 . ASN 63 63 17251 1 . HIS 64 64 17251 1 . SER 65 65 17251 1 . PHE 66 66 17251 1 . LEU 67 67 17251 1 . VAL 68 68 17251 1 . GLN 69 69 17251 1 . ALA 70 70 17251 1 . GLY 71 71 17251 1 . ASN 72 72 17251 1 . VAL 73 73 17251 1 . GLN 74 74 17251 1 . LEU 75 75 17251 1 . ARG 76 76 17251 1 . VAL 77 77 17251 1 . ILE 78 78 17251 1 . GLY 79 79 17251 1 . HIS 80 80 17251 1 . SER 81 81 17251 1 . MET 82 82 17251 1 . GLN 83 83 17251 1 . ASN 84 84 17251 1 . CYS 85 85 17251 1 . LEU 86 86 17251 1 . LEU 87 87 17251 1 . ARG 88 88 17251 1 . LEU 89 89 17251 1 . LYS 90 90 17251 1 . VAL 91 91 17251 1 . ASP 92 92 17251 1 . THR 93 93 17251 1 . SER 94 94 17251 1 . ASN 95 95 17251 1 . PRO 96 96 17251 1 . LYS 97 97 17251 1 . THR 98 98 17251 1 . PRO 99 99 17251 1 . LYS 100 100 17251 1 . TYR 101 101 17251 1 . LYS 102 102 17251 1 . PHE 103 103 17251 1 . VAL 104 104 17251 1 . ARG 105 105 17251 1 . ILE 106 106 17251 1 . GLN 107 107 17251 1 . PRO 108 108 17251 1 . GLY 109 109 17251 1 . GLN 110 110 17251 1 . THR 111 111 17251 1 . PHE 112 112 17251 1 . SER 113 113 17251 1 . VAL 114 114 17251 1 . LEU 115 115 17251 1 . ALA 116 116 17251 1 . CYS 117 117 17251 1 . TYR 118 118 17251 1 . ASN 119 119 17251 1 . GLY 120 120 17251 1 . SER 121 121 17251 1 . PRO 122 122 17251 1 . SER 123 123 17251 1 . GLY 124 124 17251 1 . VAL 125 125 17251 1 . TYR 126 126 17251 1 . GLN 127 127 17251 1 . CYS 128 128 17251 1 . ALA 129 129 17251 1 . MET 130 130 17251 1 . ARG 131 131 17251 1 . PRO 132 132 17251 1 . ASN 133 133 17251 1 . HIS 134 134 17251 1 . THR 135 135 17251 1 . ILE 136 136 17251 1 . LYS 137 137 17251 1 . GLY 138 138 17251 1 . SER 139 139 17251 1 . PHE 140 140 17251 1 . LEU 141 141 17251 1 . ASN 142 142 17251 1 . GLY 143 143 17251 1 . SER 144 144 17251 1 . CYS 145 145 17251 1 . GLY 146 146 17251 1 . SER 147 147 17251 1 . VAL 148 148 17251 1 . GLY 149 149 17251 1 . PHE 150 150 17251 1 . ASN 151 151 17251 1 . ILE 152 152 17251 1 . ASP 153 153 17251 1 . TYR 154 154 17251 1 . ASP 155 155 17251 1 . CYS 156 156 17251 1 . VAL 157 157 17251 1 . SER 158 158 17251 1 . PHE 159 159 17251 1 . CYS 160 160 17251 1 . TYR 161 161 17251 1 . MET 162 162 17251 1 . HIS 163 163 17251 1 . HIS 164 164 17251 1 . MET 165 165 17251 1 . GLU 166 166 17251 1 . LEU 167 167 17251 1 . PRO 168 168 17251 1 . THR 169 169 17251 1 . GLY 170 170 17251 1 . VAL 171 171 17251 1 . HIS 172 172 17251 1 . ALA 173 173 17251 1 . GLY 174 174 17251 1 . THR 175 175 17251 1 . ASP 176 176 17251 1 . LEU 177 177 17251 1 . GLU 178 178 17251 1 . GLY 179 179 17251 1 . LYS 180 180 17251 1 . PHE 181 181 17251 1 . TYR 182 182 17251 1 . GLY 183 183 17251 1 . PRO 184 184 17251 1 . PHE 185 185 17251 1 . VAL 186 186 17251 1 . ASP 187 187 17251 1 . ARG 188 188 17251 1 . GLN 189 189 17251 1 . THR 190 190 17251 1 . ALA 191 191 17251 1 . GLN 192 192 17251 1 . ALA 193 193 17251 1 . ALA 194 194 17251 1 . GLY 195 195 17251 1 . THR 196 196 17251 1 . ASP 197 197 17251 1 . THR 198 198 17251 1 . THR 199 199 17251 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 17251 _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 $main_protease_N-terminal_domain . 227859 virus . 'SARS coronavirus' 'SARS coronavirus' . 03.019.0.01.014. virus . Betacoronavirus 'Severe acute respiratory syndrome-related coronavirus' . . . . . . . . . . . . . . . . . . . . . 17251 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 17251 _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 $main_protease_N-terminal_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rossetta . . . . . . . . . . . . . . . pET21a . . . . . . 17251 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17251 _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 'main protease N-terminal domain' '[U-13C; U-15N]' . . 1 $main_protease_N-terminal_domain . . 0.7 . . mM . . . . 17251 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17251 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17251 1 4 Argine 'natural abundance' . . . . . . 30 . . mM . . . . 17251 1 5 'Glutamine acid' 'natural abundance' . . . . . . 30 . . mM . . . . 17251 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 17251 1 7 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17251 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17251 1 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17251 1 10 'sodium azide' 'natural abundance' . . . . . . 0.05 . . w/v . . . . 17251 1 11 DSS 'natural abundance' . . . . . . 0.02 . . w/v . . . . 17251 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 17251 _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' 170 . mM 17251 1 pH 7.0 . pH 17251 1 pressure 1 . atm 17251 1 temperature 308 . K 17251 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17251 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17251 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17251 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17251 _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' . . 17251 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17251 2 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17251 _Software.ID 3 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17251 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17251 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17251 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17251 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17251 4 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 17251 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryoprobe _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 17251 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17251 _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 Cryoprobe . . 17251 1 2 spectrometer_2 Bruker Avance . 600 Cryoprobe . . 17251 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 17251 _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 . . . . . . . . . . . . . . . . . . . . . 17251 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17251 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17251 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17251 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17251 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17251 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17251 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17251 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17251 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17251 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17251 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 17251 _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 . . . . . . . . . 17251 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17251 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17251 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 17251 _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' . . . 17251 1 2 '2D 1H-13C HSQC' . . . 17251 1 3 '3D CBCA(CO)NH' . . . 17251 1 4 '3D HNCO' . . . 17251 1 5 '3D HNCA' . . . 17251 1 6 '3D HNCACB' . . . 17251 1 7 '3D HBHA(CO)NH' . . . 17251 1 8 '3D HN(CO)CA' . . . 17251 1 9 '3D HCCH-TOCSY' . . . 17251 1 10 '3D 1H-15N TOCSY' . . . 17251 1 11 '3D HCCH-COSY' . . . 17251 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 MET HA H 1 4.416 0.03 . 1 . . . . 6 M HA . 17251 1 2 . 1 1 6 6 MET HB2 H 1 1.947 0.03 . 2 . . . . 6 M HB2 . 17251 1 3 . 1 1 6 6 MET HE1 H 1 2.045 0.03 . 1 . . . . 6 M HE1 . 17251 1 4 . 1 1 6 6 MET HE2 H 1 2.045 0.03 . 1 . . . . 6 M HE1 . 17251 1 5 . 1 1 6 6 MET HE3 H 1 2.045 0.03 . 1 . . . . 6 M HE1 . 17251 1 6 . 1 1 6 6 MET HG2 H 1 2.505 0.03 . 2 . . . . 6 M HG2 . 17251 1 7 . 1 1 6 6 MET C C 13 176.827 0.4 . 1 . . . . 6 M C . 17251 1 8 . 1 1 6 6 MET CA C 13 55.500 0.4 . 1 . . . . 6 M CA . 17251 1 9 . 1 1 6 6 MET CB C 13 33.380 0.4 . 1 . . . . 6 M CB . 17251 1 10 . 1 1 6 6 MET CE C 13 17.190 0.4 . 1 . . . . 6 M CE . 17251 1 11 . 1 1 6 6 MET CG C 13 31.857 0.4 . 1 . . . . 6 M CG . 17251 1 12 . 1 1 7 7 ALA H H 1 8.116 0.03 . 1 . . . . 7 A HN . 17251 1 13 . 1 1 7 7 ALA HA H 1 4.231 0.03 . 1 . . . . 7 A HA . 17251 1 14 . 1 1 7 7 ALA HB1 H 1 1.241 0.03 . 1 . . . . 7 A HB1 . 17251 1 15 . 1 1 7 7 ALA HB2 H 1 1.241 0.03 . 1 . . . . 7 A HB1 . 17251 1 16 . 1 1 7 7 ALA HB3 H 1 1.241 0.03 . 1 . . . . 7 A HB1 . 17251 1 17 . 1 1 7 7 ALA CA C 13 52.412 0.4 . 1 . . . . 7 A CA . 17251 1 18 . 1 1 7 7 ALA CB C 13 19.453 0.4 . 1 . . . . 7 A CB . 17251 1 19 . 1 1 7 7 ALA N N 15 120.732 0.4 . 1 . . . . 7 A N . 17251 1 20 . 1 1 8 8 PHE HA H 1 4.850 0.03 . 1 . . . . 8 F HA . 17251 1 21 . 1 1 8 8 PHE HB2 H 1 2.895 0.03 . 2 . . . . 8 F HB1 . 17251 1 22 . 1 1 8 8 PHE HB3 H 1 3.134 0.03 . 2 . . . . 8 F HB2 . 17251 1 23 . 1 1 8 8 PHE CA C 13 55.664 0.4 . 1 . . . . 8 F CA . 17251 1 24 . 1 1 8 8 PHE CB C 13 39.550 0.4 . 1 . . . . 8 F CB . 17251 1 25 . 1 1 9 9 PRO HA H 1 4.507 0.03 . 1 . . . . 9 P HA . 17251 1 26 . 1 1 9 9 PRO HB2 H 1 1.983 0.03 . 2 . . . . 9 P HB1 . 17251 1 27 . 1 1 9 9 PRO HB3 H 1 2.230 0.03 . 2 . . . . 9 P HB2 . 17251 1 28 . 1 1 9 9 PRO HD2 H 1 3.425 0.03 . 2 . . . . 9 P HD1 . 17251 1 29 . 1 1 9 9 PRO HD3 H 1 3.742 0.03 . 2 . . . . 9 P HD2 . 17251 1 30 . 1 1 9 9 PRO HG2 H 1 1.967 0.03 . 2 . . . . 9 P HG1 . 17251 1 31 . 1 1 9 9 PRO C C 13 176.854 0.4 . 1 . . . . 9 P C . 17251 1 32 . 1 1 9 9 PRO CA C 13 63.596 0.4 . 1 . . . . 9 P CA . 17251 1 33 . 1 1 9 9 PRO CB C 13 31.550 0.4 . 1 . . . . 9 P CB . 17251 1 34 . 1 1 9 9 PRO CD C 13 50.683 0.4 . 1 . . . . 9 P CD . 17251 1 35 . 1 1 9 9 PRO CG C 13 27.487 0.4 . 1 . . . . 9 P CG . 17251 1 36 . 1 1 10 10 SER H H 1 8.390 0.03 . 1 . . . . 10 S HN . 17251 1 37 . 1 1 10 10 SER HA H 1 4.325 0.03 . 1 . . . . 10 S HA . 17251 1 38 . 1 1 10 10 SER HB2 H 1 3.873 0.03 . 2 . . . . 10 S HB1 . 17251 1 39 . 1 1 10 10 SER HB3 H 1 3.989 0.03 . 2 . . . . 10 S HB2 . 17251 1 40 . 1 1 10 10 SER CA C 13 59.532 0.4 . 1 . . . . 10 S CA . 17251 1 41 . 1 1 10 10 SER CB C 13 63.700 0.4 . 1 . . . . 10 S CB . 17251 1 42 . 1 1 10 10 SER N N 15 115.869 0.4 . 1 . . . . 10 S N . 17251 1 43 . 1 1 12 12 LYS HA H 1 4.130 0.03 . 1 . . . . 12 K HA . 17251 1 44 . 1 1 12 12 LYS HB2 H 1 1.661 0.03 . 2 . . . . 12 K HB1 . 17251 1 45 . 1 1 12 12 LYS HD2 H 1 1.580 0.03 . 2 . . . . 12 K HD1 . 17251 1 46 . 1 1 12 12 LYS HE2 H 1 2.921 0.03 . 2 . . . . 12 K HE1 . 17251 1 47 . 1 1 12 12 LYS HG2 H 1 1.488 0.03 . 2 . . . . 12 K HG1 . 17251 1 48 . 1 1 12 12 LYS HG3 H 1 1.387 0.03 . 2 . . . . 12 K HG2 . 17251 1 49 . 1 1 12 12 LYS C C 13 178.196 0.4 . 1 . . . . 12 K C . 17251 1 50 . 1 1 12 12 LYS CA C 13 58.182 0.4 . 1 . . . . 12 K CA . 17251 1 51 . 1 1 12 12 LYS CB C 13 32.900 0.4 . 1 . . . . 12 K CB . 17251 1 52 . 1 1 12 12 LYS CD C 13 29.265 0.4 . 1 . . . . 12 K CD . 17251 1 53 . 1 1 12 12 LYS CE C 13 42.154 0.4 . 1 . . . . 12 K CE . 17251 1 54 . 1 1 12 12 LYS CG C 13 25.294 0.4 . 1 . . . . 12 K CG . 17251 1 55 . 1 1 13 13 VAL H H 1 7.861 0.03 . 1 . . . . 13 V HN . 17251 1 56 . 1 1 13 13 VAL HA H 1 3.687 0.03 . 1 . . . . 13 V HA . 17251 1 57 . 1 1 13 13 VAL HB H 1 1.611 0.03 . 1 . . . . 13 V HB . 17251 1 58 . 1 1 13 13 VAL HG11 H 1 -0.010 0.03 . 2 . . . . 13 V HG11 . 17251 1 59 . 1 1 13 13 VAL HG12 H 1 -0.010 0.03 . 2 . . . . 13 V HG11 . 17251 1 60 . 1 1 13 13 VAL HG13 H 1 -0.010 0.03 . 2 . . . . 13 V HG11 . 17251 1 61 . 1 1 13 13 VAL HG21 H 1 0.764 0.03 . 2 . . . . 13 V HG21 . 17251 1 62 . 1 1 13 13 VAL HG22 H 1 0.764 0.03 . 2 . . . . 13 V HG21 . 17251 1 63 . 1 1 13 13 VAL HG23 H 1 0.764 0.03 . 2 . . . . 13 V HG21 . 17251 1 64 . 1 1 13 13 VAL C C 13 177.942 0.4 . 1 . . . . 13 V C . 17251 1 65 . 1 1 13 13 VAL CA C 13 65.500 0.4 . 1 . . . . 13 V CA . 17251 1 66 . 1 1 13 13 VAL CB C 13 31.748 0.4 . 1 . . . . 13 V CB . 17251 1 67 . 1 1 13 13 VAL CG1 C 13 22.074 0.4 . 1 . . . . 13 V CG1 . 17251 1 68 . 1 1 13 13 VAL CG2 C 13 22.074 0.4 . 1 . . . . 13 V CG2 . 17251 1 69 . 1 1 13 13 VAL N N 15 118.578 0.4 . 1 . . . . 13 V N . 17251 1 70 . 1 1 14 14 GLU H H 1 9.352 0.03 . 1 . . . . 14 E HN . 17251 1 71 . 1 1 14 14 GLU HA H 1 3.724 0.03 . 1 . . . . 14 E HA . 17251 1 72 . 1 1 14 14 GLU HB2 H 1 2.039 0.03 . 2 . . . . 14 E HB1 . 17251 1 73 . 1 1 14 14 GLU HG2 H 1 2.288 0.03 . 2 . . . . 14 E HG1 . 17251 1 74 . 1 1 14 14 GLU HG3 H 1 2.416 0.03 . 2 . . . . 14 E HG2 . 17251 1 75 . 1 1 14 14 GLU C C 13 179.055 0.4 . 1 . . . . 14 E C . 17251 1 76 . 1 1 14 14 GLU CA C 13 61.200 0.4 . 1 . . . . 14 E CA . 17251 1 77 . 1 1 14 14 GLU CB C 13 29.206 0.4 . 1 . . . . 14 E CB . 17251 1 78 . 1 1 14 14 GLU CG C 13 37.169 0.4 . 1 . . . . 14 E CG . 17251 1 79 . 1 1 14 14 GLU N N 15 123.075 0.4 . 1 . . . . 14 E N . 17251 1 80 . 1 1 15 15 GLY H H 1 7.793 0.03 . 1 . . . . 15 G HN . 17251 1 81 . 1 1 15 15 GLY HA2 H 1 4.288 0.03 . 2 . . . . 15 G HA1 . 17251 1 82 . 1 1 15 15 GLY HA3 H 1 3.877 0.03 . 2 . . . . 15 G HA2 . 17251 1 83 . 1 1 15 15 GLY C C 13 174.601 0.4 . 1 . . . . 15 G C . 17251 1 84 . 1 1 15 15 GLY CA C 13 46.194 0.4 . 1 . . . . 15 G CA . 17251 1 85 . 1 1 15 15 GLY N N 15 104.718 0.4 . 1 . . . . 15 G N . 17251 1 86 . 1 1 16 16 CYS H H 1 8.083 0.03 . 1 . . . . 16 C HN . 17251 1 87 . 1 1 16 16 CYS HA H 1 4.511 0.03 . 1 . . . . 16 C HA . 17251 1 88 . 1 1 16 16 CYS HB2 H 1 3.223 0.03 . 2 . . . . 16 C HB1 . 17251 1 89 . 1 1 16 16 CYS HB3 H 1 2.997 0.03 . 2 . . . . 16 C HB2 . 17251 1 90 . 1 1 16 16 CYS C C 13 173.705 0.4 . 1 . . . . 16 C C . 17251 1 91 . 1 1 16 16 CYS CA C 13 58.334 0.4 . 1 . . . . 16 C CA . 17251 1 92 . 1 1 16 16 CYS CB C 13 29.091 0.4 . 1 . . . . 16 C CB . 17251 1 93 . 1 1 16 16 CYS N N 15 116.553 0.4 . 1 . . . . 16 C N . 17251 1 94 . 1 1 17 17 MET H H 1 7.298 0.03 . 1 . . . . 17 M HN . 17251 1 95 . 1 1 17 17 MET HA H 1 5.590 0.03 . 1 . . . . 17 M HA . 17251 1 96 . 1 1 17 17 MET HB2 H 1 2.213 0.03 . 2 . . . . 17 M HB1 . 17251 1 97 . 1 1 17 17 MET HE1 H 1 2.170 0.03 . 1 . . . . 17 M HE1 . 17251 1 98 . 1 1 17 17 MET HE2 H 1 2.170 0.03 . 1 . . . . 17 M HE1 . 17251 1 99 . 1 1 17 17 MET HE3 H 1 2.170 0.03 . 1 . . . . 17 M HE1 . 17251 1 100 . 1 1 17 17 MET HG2 H 1 2.923 0.03 . 2 . . . . 17 M HG1 . 17251 1 101 . 1 1 17 17 MET HG3 H 1 2.689 0.03 . 2 . . . . 17 M HG2 . 17251 1 102 . 1 1 17 17 MET C C 13 177.100 0.4 . 1 . . . . 17 M C . 17251 1 103 . 1 1 17 17 MET CA C 13 53.952 0.4 . 1 . . . . 17 M CA . 17251 1 104 . 1 1 17 17 MET CB C 13 30.461 0.4 . 1 . . . . 17 M CB . 17251 1 105 . 1 1 17 17 MET CE C 13 15.222 0.4 . 1 . . . . 17 M CE . 17251 1 106 . 1 1 17 17 MET CG C 13 30.720 0.4 . 1 . . . . 17 M CG . 17251 1 107 . 1 1 17 17 MET N N 15 118.460 0.4 . 1 . . . . 17 M N . 17251 1 108 . 1 1 18 18 VAL H H 1 8.757 0.03 . 1 . . . . 18 V HN . 17251 1 109 . 1 1 18 18 VAL HA H 1 5.025 0.03 . 1 . . . . 18 V HA . 17251 1 110 . 1 1 18 18 VAL HB H 1 2.064 0.03 . 1 . . . . 18 V HB . 17251 1 111 . 1 1 18 18 VAL HG11 H 1 0.862 0.03 . 2 . . . . 18 V HG11 . 17251 1 112 . 1 1 18 18 VAL HG12 H 1 0.862 0.03 . 2 . . . . 18 V HG11 . 17251 1 113 . 1 1 18 18 VAL HG13 H 1 0.862 0.03 . 2 . . . . 18 V HG11 . 17251 1 114 . 1 1 18 18 VAL HG21 H 1 0.410 0.03 . 2 . . . . 18 V HG21 . 17251 1 115 . 1 1 18 18 VAL HG22 H 1 0.410 0.03 . 2 . . . . 18 V HG21 . 17251 1 116 . 1 1 18 18 VAL HG23 H 1 0.410 0.03 . 2 . . . . 18 V HG21 . 17251 1 117 . 1 1 18 18 VAL C C 13 174.584 0.4 . 1 . . . . 18 V C . 17251 1 118 . 1 1 18 18 VAL CA C 13 59.020 0.4 . 1 . . . . 18 V CA . 17251 1 119 . 1 1 18 18 VAL CB C 13 35.360 0.4 . 1 . . . . 18 V CB . 17251 1 120 . 1 1 18 18 VAL CG1 C 13 23.951 0.4 . 1 . . . . 18 V CG1 . 17251 1 121 . 1 1 18 18 VAL CG2 C 13 18.900 0.4 . 1 . . . . 18 V CG2 . 17251 1 122 . 1 1 18 18 VAL N N 15 115.966 0.4 . 1 . . . . 18 V N . 17251 1 123 . 1 1 19 19 GLN H H 1 8.665 0.03 . 1 . . . . 19 Q HN . 17251 1 124 . 1 1 19 19 GLN HA H 1 4.985 0.03 . 1 . . . . 19 Q HA . 17251 1 125 . 1 1 19 19 GLN HB2 H 1 1.895 0.03 . 2 . . . . 19 Q HB1 . 17251 1 126 . 1 1 19 19 GLN HE21 H 1 7.308 0.03 . 2 . . . . 19 Q HE21 . 17251 1 127 . 1 1 19 19 GLN HE22 H 1 6.655 0.03 . 2 . . . . 19 Q HE22 . 17251 1 128 . 1 1 19 19 GLN HG2 H 1 2.161 0.03 . 2 . . . . 19 Q HG1 . 17251 1 129 . 1 1 19 19 GLN C C 13 174.779 0.4 . 1 . . . . 19 Q C . 17251 1 130 . 1 1 19 19 GLN CA C 13 55.243 0.4 . 1 . . . . 19 Q CA . 17251 1 131 . 1 1 19 19 GLN CB C 13 32.525 0.4 . 1 . . . . 19 Q CB . 17251 1 132 . 1 1 19 19 GLN CG C 13 35.111 0.4 . 1 . . . . 19 Q CG . 17251 1 133 . 1 1 19 19 GLN N N 15 119.810 0.4 . 1 . . . . 19 Q N . 17251 1 134 . 1 1 19 19 GLN NE2 N 15 111.461 0.4 . 1 . . . . 19 Q NE2 . 17251 1 135 . 1 1 20 20 VAL H H 1 9.067 0.03 . 1 . . . . 20 V HN . 17251 1 136 . 1 1 20 20 VAL HA H 1 4.670 0.03 . 1 . . . . 20 V HA . 17251 1 137 . 1 1 20 20 VAL HB H 1 1.778 0.03 . 1 . . . . 20 V HB . 17251 1 138 . 1 1 20 20 VAL HG11 H 1 0.805 0.03 . 2 . . . . 20 V HG11 . 17251 1 139 . 1 1 20 20 VAL HG12 H 1 0.805 0.03 . 2 . . . . 20 V HG11 . 17251 1 140 . 1 1 20 20 VAL HG13 H 1 0.805 0.03 . 2 . . . . 20 V HG11 . 17251 1 141 . 1 1 20 20 VAL HG21 H 1 0.573 0.03 . 2 . . . . 20 V HG21 . 17251 1 142 . 1 1 20 20 VAL HG22 H 1 0.573 0.03 . 2 . . . . 20 V HG21 . 17251 1 143 . 1 1 20 20 VAL HG23 H 1 0.573 0.03 . 2 . . . . 20 V HG21 . 17251 1 144 . 1 1 20 20 VAL C C 13 174.271 0.4 . 1 . . . . 20 V C . 17251 1 145 . 1 1 20 20 VAL CA C 13 61.735 0.4 . 1 . . . . 20 V CA . 17251 1 146 . 1 1 20 20 VAL CB C 13 34.100 0.4 . 1 . . . . 20 V CB . 17251 1 147 . 1 1 20 20 VAL CG1 C 13 20.909 0.4 . 1 . . . . 20 V CG1 . 17251 1 148 . 1 1 20 20 VAL CG2 C 13 21.201 0.4 . 1 . . . . 20 V CG2 . 17251 1 149 . 1 1 20 20 VAL N N 15 125.236 0.4 . 1 . . . . 20 V N . 17251 1 150 . 1 1 21 21 THR H H 1 9.164 0.03 . 1 . . . . 21 T HN . 17251 1 151 . 1 1 21 21 THR HA H 1 5.501 0.03 . 1 . . . . 21 T HA . 17251 1 152 . 1 1 21 21 THR HB H 1 3.890 0.03 . 1 . . . . 21 T HB . 17251 1 153 . 1 1 21 21 THR HG21 H 1 1.009 0.03 . 1 . . . . 21 T HG21 . 17251 1 154 . 1 1 21 21 THR HG22 H 1 1.009 0.03 . 1 . . . . 21 T HG21 . 17251 1 155 . 1 1 21 21 THR HG23 H 1 1.009 0.03 . 1 . . . . 21 T HG21 . 17251 1 156 . 1 1 21 21 THR C C 13 174.271 0.4 . 1 . . . . 21 T C . 17251 1 157 . 1 1 21 21 THR CA C 13 61.219 0.4 . 1 . . . . 21 T CA . 17251 1 158 . 1 1 21 21 THR CB C 13 71.309 0.4 . 1 . . . . 21 T CB . 17251 1 159 . 1 1 21 21 THR CG2 C 13 21.059 0.4 . 1 . . . . 21 T CG2 . 17251 1 160 . 1 1 21 21 THR N N 15 123.894 0.4 . 1 . . . . 21 T N . 17251 1 161 . 1 1 22 22 CYS H H 1 8.830 0.03 . 1 . . . . 22 C HN . 17251 1 162 . 1 1 22 22 CYS HA H 1 4.640 0.03 . 1 . . . . 22 C HA . 17251 1 163 . 1 1 22 22 CYS HB2 H 1 3.067 0.03 . 2 . . . . 22 C HB1 . 17251 1 164 . 1 1 22 22 CYS HB3 H 1 2.309 0.03 . 2 . . . . 22 C HB2 . 17251 1 165 . 1 1 22 22 CYS C C 13 174.600 0.4 . 1 . . . . 22 C C . 17251 1 166 . 1 1 22 22 CYS CA C 13 58.650 0.4 . 1 . . . . 22 C CA . 17251 1 167 . 1 1 22 22 CYS CB C 13 28.414 0.4 . 1 . . . . 22 C CB . 17251 1 168 . 1 1 22 22 CYS N N 15 128.056 0.4 . 1 . . . . 22 C N . 17251 1 169 . 1 1 23 23 GLY H H 1 9.257 0.03 . 1 . . . . 23 G HN . 17251 1 170 . 1 1 23 23 GLY HA2 H 1 3.650 0.03 . 2 . . . . 23 G HA1 . 17251 1 171 . 1 1 23 23 GLY HA3 H 1 4.101 0.03 . 2 . . . . 23 G HA2 . 17251 1 172 . 1 1 23 23 GLY C C 13 174.934 0.4 . 1 . . . . 23 G C . 17251 1 173 . 1 1 23 23 GLY CA C 13 47.131 0.4 . 1 . . . . 23 G CA . 17251 1 174 . 1 1 23 23 GLY N N 15 120.479 0.4 . 1 . . . . 23 G N . 17251 1 175 . 1 1 24 24 THR H H 1 8.727 0.03 . 1 . . . . 24 T HN . 17251 1 176 . 1 1 24 24 THR HA H 1 4.364 0.03 . 1 . . . . 24 T HA . 17251 1 177 . 1 1 24 24 THR HB H 1 4.625 0.03 . 1 . . . . 24 T HB . 17251 1 178 . 1 1 24 24 THR HG21 H 1 1.195 0.03 . 1 . . . . 24 T HG21 . 17251 1 179 . 1 1 24 24 THR HG22 H 1 1.195 0.03 . 1 . . . . 24 T HG21 . 17251 1 180 . 1 1 24 24 THR HG23 H 1 1.195 0.03 . 1 . . . . 24 T HG21 . 17251 1 181 . 1 1 24 24 THR C C 13 174.662 0.4 . 1 . . . . 24 T C . 17251 1 182 . 1 1 24 24 THR CA C 13 61.634 0.4 . 1 . . . . 24 T CA . 17251 1 183 . 1 1 24 24 THR CB C 13 68.738 0.4 . 1 . . . . 24 T CB . 17251 1 184 . 1 1 24 24 THR CG2 C 13 21.506 0.4 . 1 . . . . 24 T CG2 . 17251 1 185 . 1 1 24 24 THR N N 15 118.104 0.4 . 1 . . . . 24 T N . 17251 1 186 . 1 1 25 25 THR H H 1 8.173 0.03 . 1 . . . . 25 T HN . 17251 1 187 . 1 1 25 25 THR HA H 1 4.531 0.03 . 1 . . . . 25 T HA . 17251 1 188 . 1 1 25 25 THR HB H 1 4.508 0.03 . 1 . . . . 25 T HB . 17251 1 189 . 1 1 25 25 THR HG21 H 1 1.348 0.03 . 1 . . . . 25 T HG21 . 17251 1 190 . 1 1 25 25 THR HG22 H 1 1.348 0.03 . 1 . . . . 25 T HG21 . 17251 1 191 . 1 1 25 25 THR HG23 H 1 1.348 0.03 . 1 . . . . 25 T HG21 . 17251 1 192 . 1 1 25 25 THR C C 13 172.161 0.4 . 1 . . . . 25 T C . 17251 1 193 . 1 1 25 25 THR CA C 13 62.982 0.4 . 1 . . . . 25 T CA . 17251 1 194 . 1 1 25 25 THR CB C 13 69.714 0.4 . 1 . . . . 25 T CB . 17251 1 195 . 1 1 25 25 THR CG2 C 13 23.084 0.4 . 1 . . . . 25 T CG2 . 17251 1 196 . 1 1 25 25 THR N N 15 122.873 0.4 . 1 . . . . 25 T N . 17251 1 197 . 1 1 26 26 THR H H 1 8.512 0.03 . 1 . . . . 26 T HN . 17251 1 198 . 1 1 26 26 THR HA H 1 5.465 0.03 . 1 . . . . 26 T HA . 17251 1 199 . 1 1 26 26 THR HB H 1 3.733 0.03 . 1 . . . . 26 T HB . 17251 1 200 . 1 1 26 26 THR HG21 H 1 1.066 0.03 . 1 . . . . 26 T HG21 . 17251 1 201 . 1 1 26 26 THR HG22 H 1 1.066 0.03 . 1 . . . . 26 T HG21 . 17251 1 202 . 1 1 26 26 THR HG23 H 1 1.066 0.03 . 1 . . . . 26 T HG21 . 17251 1 203 . 1 1 26 26 THR C C 13 173.404 0.4 . 1 . . . . 26 T C . 17251 1 204 . 1 1 26 26 THR CA C 13 61.235 0.4 . 1 . . . . 26 T CA . 17251 1 205 . 1 1 26 26 THR CB C 13 71.242 0.4 . 1 . . . . 26 T CB . 17251 1 206 . 1 1 26 26 THR CG2 C 13 21.374 0.4 . 1 . . . . 26 T CG2 . 17251 1 207 . 1 1 26 26 THR N N 15 124.000 0.4 . 1 . . . . 26 T N . 17251 1 208 . 1 1 27 27 LEU H H 1 9.113 0.03 . 1 . . . . 27 L HN . 17251 1 209 . 1 1 27 27 LEU HA H 1 4.890 0.03 . 1 . . . . 27 L HA . 17251 1 210 . 1 1 27 27 LEU HB2 H 1 1.466 0.03 . 2 . . . . 27 L HB1 . 17251 1 211 . 1 1 27 27 LEU HB3 H 1 2.175 0.03 . 2 . . . . 27 L HB2 . 17251 1 212 . 1 1 27 27 LEU HD11 H 1 0.770 0.03 . 2 . . . . 27 L HD11 . 17251 1 213 . 1 1 27 27 LEU HD12 H 1 0.770 0.03 . 2 . . . . 27 L HD11 . 17251 1 214 . 1 1 27 27 LEU HD13 H 1 0.770 0.03 . 2 . . . . 27 L HD11 . 17251 1 215 . 1 1 27 27 LEU HD21 H 1 0.724 0.03 . 2 . . . . 27 L HD21 . 17251 1 216 . 1 1 27 27 LEU HD22 H 1 0.724 0.03 . 2 . . . . 27 L HD21 . 17251 1 217 . 1 1 27 27 LEU HD23 H 1 0.724 0.03 . 2 . . . . 27 L HD21 . 17251 1 218 . 1 1 27 27 LEU HG H 1 1.578 0.03 . 1 . . . . 27 L HG . 17251 1 219 . 1 1 27 27 LEU C C 13 175.131 0.4 . 1 . . . . 27 L C . 17251 1 220 . 1 1 27 27 LEU CA C 13 54.000 0.4 . 1 . . . . 27 L CA . 17251 1 221 . 1 1 27 27 LEU CB C 13 42.723 0.4 . 1 . . . . 27 L CB . 17251 1 222 . 1 1 27 27 LEU CD1 C 13 23.828 0.4 . 1 . . . . 27 L CD1 . 17251 1 223 . 1 1 27 27 LEU CD2 C 13 25.960 0.4 . 1 . . . . 27 L CD2 . 17251 1 224 . 1 1 27 27 LEU CG C 13 26.648 0.4 . 1 . . . . 27 L CG . 17251 1 225 . 1 1 27 27 LEU N N 15 123.547 0.4 . 1 . . . . 27 L N . 17251 1 226 . 1 1 28 28 ASN H H 1 7.787 0.03 . 1 . . . . 28 N HN . 17251 1 227 . 1 1 28 28 ASN HA H 1 5.316 0.03 . 1 . . . . 28 N HA . 17251 1 228 . 1 1 28 28 ASN HB2 H 1 2.630 0.03 . 2 . . . . 28 N HB1 . 17251 1 229 . 1 1 28 28 ASN HB3 H 1 2.519 0.03 . 2 . . . . 28 N HB2 . 17251 1 230 . 1 1 28 28 ASN HD21 H 1 6.835 0.03 . 2 . . . . 28 N HD21 . 17251 1 231 . 1 1 28 28 ASN HD22 H 1 6.584 0.03 . 2 . . . . 28 N HD22 . 17251 1 232 . 1 1 28 28 ASN C C 13 172.729 0.4 . 1 . . . . 28 N C . 17251 1 233 . 1 1 28 28 ASN CA C 13 53.885 0.4 . 1 . . . . 28 N CA . 17251 1 234 . 1 1 28 28 ASN CB C 13 41.039 0.4 . 1 . . . . 28 N CB . 17251 1 235 . 1 1 28 28 ASN N N 15 116.376 0.4 . 1 . . . . 28 N N . 17251 1 236 . 1 1 28 28 ASN ND2 N 15 116.877 0.4 . 1 . . . . 28 N ND2 . 17251 1 237 . 1 1 29 29 GLY H H 1 8.350 0.03 . 1 . . . . 29 G HN . 17251 1 238 . 1 1 29 29 GLY HA2 H 1 4.850 0.03 . 2 . . . . 29 G HA1 . 17251 1 239 . 1 1 29 29 GLY HA3 H 1 2.992 0.03 . 2 . . . . 29 G HA2 . 17251 1 240 . 1 1 29 29 GLY C C 13 170.745 0.4 . 1 . . . . 29 G C . 17251 1 241 . 1 1 29 29 GLY CA C 13 44.070 0.4 . 1 . . . . 29 G CA . 17251 1 242 . 1 1 29 29 GLY N N 15 102.471 0.4 . 1 . . . . 29 G N . 17251 1 243 . 1 1 30 30 LEU H H 1 8.748 0.03 . 1 . . . . 30 L HN . 17251 1 244 . 1 1 30 30 LEU HA H 1 5.143 0.03 . 1 . . . . 30 L HA . 17251 1 245 . 1 1 30 30 LEU HB2 H 1 1.066 0.03 . 2 . . . . 30 L HB1 . 17251 1 246 . 1 1 30 30 LEU HB3 H 1 1.794 0.03 . 2 . . . . 30 L HB2 . 17251 1 247 . 1 1 30 30 LEU HD11 H 1 0.690 0.03 . 2 . . . . 30 L HD11 . 17251 1 248 . 1 1 30 30 LEU HD12 H 1 0.690 0.03 . 2 . . . . 30 L HD11 . 17251 1 249 . 1 1 30 30 LEU HD13 H 1 0.690 0.03 . 2 . . . . 30 L HD11 . 17251 1 250 . 1 1 30 30 LEU HD21 H 1 -0.027 0.03 . 2 . . . . 30 L HD21 . 17251 1 251 . 1 1 30 30 LEU HD22 H 1 -0.027 0.03 . 2 . . . . 30 L HD21 . 17251 1 252 . 1 1 30 30 LEU HD23 H 1 -0.027 0.03 . 2 . . . . 30 L HD21 . 17251 1 253 . 1 1 30 30 LEU HG H 1 1.142 0.03 . 1 . . . . 30 L HG . 17251 1 254 . 1 1 30 30 LEU C C 13 178.831 0.4 . 1 . . . . 30 L C . 17251 1 255 . 1 1 30 30 LEU CA C 13 53.208 0.4 . 1 . . . . 30 L CA . 17251 1 256 . 1 1 30 30 LEU CB C 13 46.603 0.4 . 1 . . . . 30 L CB . 17251 1 257 . 1 1 30 30 LEU CD1 C 13 24.191 0.4 . 1 . . . . 30 L CD1 . 17251 1 258 . 1 1 30 30 LEU CD2 C 13 25.504 0.4 . 1 . . . . 30 L CD2 . 17251 1 259 . 1 1 30 30 LEU CG C 13 27.247 0.4 . 1 . . . . 30 L CG . 17251 1 260 . 1 1 30 30 LEU N N 15 122.835 0.4 . 1 . . . . 30 L N . 17251 1 261 . 1 1 31 31 TRP H H 1 8.950 0.03 . 1 . . . . 31 W HN . 17251 1 262 . 1 1 31 31 TRP HA H 1 5.827 0.03 . 1 . . . . 31 W HA . 17251 1 263 . 1 1 31 31 TRP HB2 H 1 2.584 0.03 . 2 . . . . 31 W HB1 . 17251 1 264 . 1 1 31 31 TRP HB3 H 1 3.481 0.03 . 2 . . . . 31 W HB2 . 17251 1 265 . 1 1 31 31 TRP HD1 H 1 6.797 0.03 . 1 . . . . 31 W HD1 . 17251 1 266 . 1 1 31 31 TRP HE1 H 1 10.111 0.03 . 1 . . . . 31 W HE1 . 17251 1 267 . 1 1 31 31 TRP HE3 H 1 7.246 0.03 . 1 . . . . 31 W HE3 . 17251 1 268 . 1 1 31 31 TRP HH2 H 1 7.056 0.03 . 1 . . . . 31 W HH2 . 17251 1 269 . 1 1 31 31 TRP HZ2 H 1 6.951 0.03 . 1 . . . . 31 W HZ2 . 17251 1 270 . 1 1 31 31 TRP HZ3 H 1 6.935 0.03 . 1 . . . . 31 W HZ3 . 17251 1 271 . 1 1 31 31 TRP C C 13 174.544 0.4 . 1 . . . . 31 W C . 17251 1 272 . 1 1 31 31 TRP CA C 13 53.714 0.4 . 1 . . . . 31 W CA . 17251 1 273 . 1 1 31 31 TRP CB C 13 31.541 0.4 . 1 . . . . 31 W CB . 17251 1 274 . 1 1 31 31 TRP CD1 C 13 117.538 0.4 . 1 . . . . 31 W CD1 . 17251 1 275 . 1 1 31 31 TRP CE3 C 13 121.038 0.4 . 1 . . . . 31 W CE3 . 17251 1 276 . 1 1 31 31 TRP CZ2 C 13 114.256 0.4 . 1 . . . . 31 W CZ2 . 17251 1 277 . 1 1 31 31 TRP CZ3 C 13 114.256 0.4 . 1 . . . . 31 W CZ3 . 17251 1 278 . 1 1 31 31 TRP N N 15 128.130 0.4 . 1 . . . . 31 W N . 17251 1 279 . 1 1 31 31 TRP NE1 N 15 131.927 0.4 . 1 . . . . 31 W NE1 . 17251 1 280 . 1 1 32 32 LEU H H 1 8.898 0.03 . 1 . . . . 32 L HN . 17251 1 281 . 1 1 32 32 LEU HA H 1 4.548 0.03 . 1 . . . . 32 L HA . 17251 1 282 . 1 1 32 32 LEU HB2 H 1 0.989 0.03 . 2 . . . . 32 L HB1 . 17251 1 283 . 1 1 32 32 LEU HB3 H 1 1.720 0.03 . 2 . . . . 32 L HB2 . 17251 1 284 . 1 1 32 32 LEU HD11 H 1 -0.024 0.03 . 2 . . . . 32 L HD11 . 17251 1 285 . 1 1 32 32 LEU HD12 H 1 -0.024 0.03 . 2 . . . . 32 L HD11 . 17251 1 286 . 1 1 32 32 LEU HD13 H 1 -0.024 0.03 . 2 . . . . 32 L HD11 . 17251 1 287 . 1 1 32 32 LEU HD21 H 1 0.724 0.03 . 2 . . . . 32 L HD21 . 17251 1 288 . 1 1 32 32 LEU HD22 H 1 0.724 0.03 . 2 . . . . 32 L HD21 . 17251 1 289 . 1 1 32 32 LEU HD23 H 1 0.724 0.03 . 2 . . . . 32 L HD21 . 17251 1 290 . 1 1 32 32 LEU HG H 1 1.283 0.03 . 1 . . . . 32 L HG . 17251 1 291 . 1 1 32 32 LEU C C 13 176.711 0.4 . 1 . . . . 32 L C . 17251 1 292 . 1 1 32 32 LEU CA C 13 52.604 0.4 . 1 . . . . 32 L CA . 17251 1 293 . 1 1 32 32 LEU CB C 13 45.106 0.4 . 1 . . . . 32 L CB . 17251 1 294 . 1 1 32 32 LEU CD1 C 13 25.478 0.4 . 1 . . . . 32 L CD1 . 17251 1 295 . 1 1 32 32 LEU CD2 C 13 24.191 0.4 . 1 . . . . 32 L CD2 . 17251 1 296 . 1 1 32 32 LEU CG C 13 26.593 0.4 . 1 . . . . 32 L CG . 17251 1 297 . 1 1 32 32 LEU N N 15 127.225 0.4 . 1 . . . . 32 L N . 17251 1 298 . 1 1 33 33 ASP H H 1 8.953 0.03 . 1 . . . . 33 D HN . 17251 1 299 . 1 1 33 33 ASP HA H 1 4.081 0.03 . 1 . . . . 33 D HA . 17251 1 300 . 1 1 33 33 ASP HB2 H 1 3.104 0.03 . 2 . . . . 33 D HB1 . 17251 1 301 . 1 1 33 33 ASP HB3 H 1 2.901 0.03 . 2 . . . . 33 D HB2 . 17251 1 302 . 1 1 33 33 ASP C C 13 175.214 0.4 . 1 . . . . 33 D C . 17251 1 303 . 1 1 33 33 ASP CA C 13 57.067 0.4 . 1 . . . . 33 D CA . 17251 1 304 . 1 1 33 33 ASP CB C 13 39.486 0.4 . 1 . . . . 33 D CB . 17251 1 305 . 1 1 33 33 ASP N N 15 124.787 0.4 . 1 . . . . 33 D N . 17251 1 306 . 1 1 34 34 ASP H H 1 8.281 0.03 . 1 . . . . 34 D HN . 17251 1 307 . 1 1 34 34 ASP HA H 1 4.976 0.03 . 1 . . . . 34 D HA . 17251 1 308 . 1 1 34 34 ASP HB2 H 1 3.511 0.03 . 2 . . . . 34 D HB1 . 17251 1 309 . 1 1 34 34 ASP HB3 H 1 2.330 0.03 . 2 . . . . 34 D HB2 . 17251 1 310 . 1 1 34 34 ASP C C 13 174.963 0.4 . 1 . . . . 34 D C . 17251 1 311 . 1 1 34 34 ASP CA C 13 53.314 0.4 . 1 . . . . 34 D CA . 17251 1 312 . 1 1 34 34 ASP CB C 13 39.535 0.4 . 1 . . . . 34 D CB . 17251 1 313 . 1 1 34 34 ASP N N 15 123.317 0.4 . 1 . . . . 34 D N . 17251 1 314 . 1 1 35 35 THR H H 1 8.449 0.03 . 1 . . . . 35 T HN . 17251 1 315 . 1 1 35 35 THR HA H 1 5.184 0.03 . 1 . . . . 35 T HA . 17251 1 316 . 1 1 35 35 THR HB H 1 3.897 0.03 . 1 . . . . 35 T HB . 17251 1 317 . 1 1 35 35 THR HG21 H 1 0.347 0.03 . 1 . . . . 35 T HG21 . 17251 1 318 . 1 1 35 35 THR HG22 H 1 0.347 0.03 . 1 . . . . 35 T HG21 . 17251 1 319 . 1 1 35 35 THR HG23 H 1 0.347 0.03 . 1 . . . . 35 T HG21 . 17251 1 320 . 1 1 35 35 THR C C 13 172.008 0.4 . 1 . . . . 35 T C . 17251 1 321 . 1 1 35 35 THR CA C 13 62.263 0.4 . 1 . . . . 35 T CA . 17251 1 322 . 1 1 35 35 THR CB C 13 72.000 0.4 . 1 . . . . 35 T CB . 17251 1 323 . 1 1 35 35 THR CG2 C 13 21.257 0.4 . 1 . . . . 35 T CG2 . 17251 1 324 . 1 1 35 35 THR N N 15 116.347 0.4 . 1 . . . . 35 T N . 17251 1 325 . 1 1 36 36 VAL H H 1 9.233 0.03 . 1 . . . . 36 V HN . 17251 1 326 . 1 1 36 36 VAL HA H 1 5.126 0.03 . 1 . . . . 36 V HA . 17251 1 327 . 1 1 36 36 VAL HB H 1 1.688 0.03 . 1 . . . . 36 V HB . 17251 1 328 . 1 1 36 36 VAL HG11 H 1 0.411 0.03 . 2 . . . . 36 V HG11 . 17251 1 329 . 1 1 36 36 VAL HG12 H 1 0.411 0.03 . 2 . . . . 36 V HG11 . 17251 1 330 . 1 1 36 36 VAL HG13 H 1 0.411 0.03 . 2 . . . . 36 V HG11 . 17251 1 331 . 1 1 36 36 VAL HG21 H 1 0.560 0.03 . 2 . . . . 36 V HG21 . 17251 1 332 . 1 1 36 36 VAL HG22 H 1 0.560 0.03 . 2 . . . . 36 V HG21 . 17251 1 333 . 1 1 36 36 VAL HG23 H 1 0.560 0.03 . 2 . . . . 36 V HG21 . 17251 1 334 . 1 1 36 36 VAL C C 13 174.193 0.4 . 1 . . . . 36 V C . 17251 1 335 . 1 1 36 36 VAL CA C 13 60.218 0.4 . 1 . . . . 36 V CA . 17251 1 336 . 1 1 36 36 VAL CB C 13 33.674 0.4 . 1 . . . . 36 V CB . 17251 1 337 . 1 1 36 36 VAL CG1 C 13 21.566 0.4 . 1 . . . . 36 V CG1 . 17251 1 338 . 1 1 36 36 VAL CG2 C 13 21.785 0.4 . 1 . . . . 36 V CG2 . 17251 1 339 . 1 1 36 36 VAL N N 15 126.000 0.4 . 1 . . . . 36 V N . 17251 1 340 . 1 1 37 37 TYR H H 1 9.376 0.03 . 1 . . . . 37 Y HN . 17251 1 341 . 1 1 37 37 TYR HA H 1 5.290 0.03 . 1 . . . . 37 Y HA . 17251 1 342 . 1 1 37 37 TYR HB2 H 1 2.600 0.03 . 2 . . . . 37 Y HB1 . 17251 1 343 . 1 1 37 37 TYR HB3 H 1 2.733 0.03 . 2 . . . . 37 Y HB2 . 17251 1 344 . 1 1 37 37 TYR HD1 H 1 7.007 0.03 . 3 . . . . 37 Y HD1 . 17251 1 345 . 1 1 37 37 TYR HE1 H 1 6.790 0.03 . 3 . . . . 37 Y HE1 . 17251 1 346 . 1 1 37 37 TYR C C 13 176.247 0.4 . 1 . . . . 37 Y C . 17251 1 347 . 1 1 37 37 TYR CA C 13 56.091 0.4 . 1 . . . . 37 Y CA . 17251 1 348 . 1 1 37 37 TYR CB C 13 40.869 0.4 . 1 . . . . 37 Y CB . 17251 1 349 . 1 1 37 37 TYR CD1 C 13 133.508 0.4 . 3 . . . . 37 Y CD1 . 17251 1 350 . 1 1 37 37 TYR CE1 C 13 117.538 0.4 . 3 . . . . 37 Y CE1 . 17251 1 351 . 1 1 37 37 TYR N N 15 127.217 0.4 . 1 . . . . 37 Y N . 17251 1 352 . 1 1 38 38 CYS H H 1 8.813 0.03 . 1 . . . . 38 C HN . 17251 1 353 . 1 1 38 38 CYS HA H 1 5.164 0.03 . 1 . . . . 38 C HA . 17251 1 354 . 1 1 38 38 CYS HB2 H 1 3.186 0.03 . 2 . . . . 38 C HB1 . 17251 1 355 . 1 1 38 38 CYS HB3 H 1 2.440 0.03 . 2 . . . . 38 C HB2 . 17251 1 356 . 1 1 38 38 CYS C C 13 169.810 0.4 . 1 . . . . 38 C C . 17251 1 357 . 1 1 38 38 CYS CA C 13 55.984 0.4 . 1 . . . . 38 C CA . 17251 1 358 . 1 1 38 38 CYS CB C 13 29.238 0.4 . 1 . . . . 38 C CB . 17251 1 359 . 1 1 38 38 CYS N N 15 117.444 0.4 . 1 . . . . 38 C N . 17251 1 360 . 1 1 39 39 PRO HA H 1 4.039 0.03 . 1 . . . . 39 P HA . 17251 1 361 . 1 1 39 39 PRO HB2 H 1 1.571 0.03 . 2 . . . . 39 P HB2 . 17251 1 362 . 1 1 39 39 PRO HD2 H 1 3.332 0.03 . 2 . . . . 39 P HD1 . 17251 1 363 . 1 1 39 39 PRO HD3 H 1 4.169 0.03 . 2 . . . . 39 P HD2 . 17251 1 364 . 1 1 39 39 PRO HG2 H 1 1.875 0.03 . 2 . . . . 39 P HG1 . 17251 1 365 . 1 1 39 39 PRO CA C 13 64.000 0.4 . 1 . . . . 39 P CA . 17251 1 366 . 1 1 39 39 PRO CB C 13 30.183 0.4 . 1 . . . . 39 P CB . 17251 1 367 . 1 1 39 39 PRO CD C 13 51.300 0.4 . 1 . . . . 39 P CD . 17251 1 368 . 1 1 39 39 PRO CG C 13 28.060 0.4 . 1 . . . . 39 P CG . 17251 1 369 . 1 1 40 40 ARG H H 1 8.305 0.03 . 1 . . . . 40 R HN . 17251 1 370 . 1 1 40 40 ARG HA H 1 4.193 0.03 . 1 . . . . 40 R HA . 17251 1 371 . 1 1 40 40 ARG HB2 H 1 1.580 0.03 . 2 . . . . 40 R HB2 . 17251 1 372 . 1 1 40 40 ARG HD2 H 1 4.252 0.03 . 2 . . . . 40 R HD2 . 17251 1 373 . 1 1 40 40 ARG CA C 13 58.616 0.4 . 1 . . . . 40 R CA . 17251 1 374 . 1 1 40 40 ARG CB C 13 29.407 0.4 . 1 . . . . 40 R CB . 17251 1 375 . 1 1 40 40 ARG N N 15 122.504 0.4 . 1 . . . . 40 R N . 17251 1 376 . 1 1 41 41 HIS H H 1 8.203 0.03 . 1 . . . . 41 H HN . 17251 1 377 . 1 1 41 41 HIS HA H 1 5.059 0.03 . 1 . . . . 41 H HA . 17251 1 378 . 1 1 41 41 HIS HB2 H 1 3.392 0.03 . 2 . . . . 41 H HB1 . 17251 1 379 . 1 1 41 41 HIS HB3 H 1 3.819 0.03 . 2 . . . . 41 H HB2 . 17251 1 380 . 1 1 41 41 HIS HD2 H 1 7.911 0.03 . 1 . . . . 41 H HD2 . 17251 1 381 . 1 1 41 41 HIS C C 13 176.010 0.4 . 1 . . . . 41 H C . 17251 1 382 . 1 1 41 41 HIS CA C 13 58.721 0.4 . 1 . . . . 41 H CA . 17251 1 383 . 1 1 41 41 HIS CB C 13 28.461 0.4 . 1 . . . . 41 H CB . 17251 1 384 . 1 1 41 41 HIS N N 15 128.700 0.4 . 1 . . . . 41 H N . 17251 1 385 . 1 1 42 42 VAL H H 1 7.168 0.03 . 1 . . . . 42 V HN . 17251 1 386 . 1 1 42 42 VAL HA H 1 4.041 0.03 . 1 . . . . 42 V HA . 17251 1 387 . 1 1 42 42 VAL HB H 1 2.033 0.03 . 1 . . . . 42 V HB . 17251 1 388 . 1 1 42 42 VAL HG11 H 1 0.944 0.03 . 2 . . . . 42 V HG11 . 17251 1 389 . 1 1 42 42 VAL HG12 H 1 0.944 0.03 . 2 . . . . 42 V HG11 . 17251 1 390 . 1 1 42 42 VAL HG13 H 1 0.944 0.03 . 2 . . . . 42 V HG11 . 17251 1 391 . 1 1 42 42 VAL HG21 H 1 0.865 0.03 . 2 . . . . 42 V HG21 . 17251 1 392 . 1 1 42 42 VAL HG22 H 1 0.865 0.03 . 2 . . . . 42 V HG21 . 17251 1 393 . 1 1 42 42 VAL HG23 H 1 0.865 0.03 . 2 . . . . 42 V HG21 . 17251 1 394 . 1 1 42 42 VAL CA C 13 64.030 0.4 . 1 . . . . 42 V CA . 17251 1 395 . 1 1 42 42 VAL CB C 13 32.197 0.4 . 1 . . . . 42 V CB . 17251 1 396 . 1 1 42 42 VAL CG1 C 13 22.696 0.4 . 1 . . . . 42 V CG1 . 17251 1 397 . 1 1 42 42 VAL CG2 C 13 21.382 0.4 . 1 . . . . 42 V CG2 . 17251 1 398 . 1 1 42 42 VAL N N 15 123.814 0.4 . 1 . . . . 42 V N . 17251 1 399 . 1 1 43 43 ILE H H 1 7.421 0.03 . 1 . . . . 43 I HN . 17251 1 400 . 1 1 43 43 ILE HA H 1 4.418 0.03 . 1 . . . . 43 I HA . 17251 1 401 . 1 1 43 43 ILE HB H 1 2.097 0.03 . 1 . . . . 43 I HB . 17251 1 402 . 1 1 43 43 ILE HD11 H 1 0.973 0.03 . 1 . . . . 43 I HD11 . 17251 1 403 . 1 1 43 43 ILE HD12 H 1 0.973 0.03 . 1 . . . . 43 I HD11 . 17251 1 404 . 1 1 43 43 ILE HD13 H 1 0.973 0.03 . 1 . . . . 43 I HD11 . 17251 1 405 . 1 1 43 43 ILE HG12 H 1 1.441 0.03 . 1 . . . . 43 I HG11 . 17251 1 406 . 1 1 43 43 ILE HG13 H 1 2.068 0.03 . 1 . . . . 43 I HG12 . 17251 1 407 . 1 1 43 43 ILE HG21 H 1 1.153 0.03 . 1 . . . . 43 I HG21 . 17251 1 408 . 1 1 43 43 ILE HG22 H 1 1.153 0.03 . 1 . . . . 43 I HG21 . 17251 1 409 . 1 1 43 43 ILE HG23 H 1 1.153 0.03 . 1 . . . . 43 I HG21 . 17251 1 410 . 1 1 43 43 ILE C C 13 175.307 0.4 . 1 . . . . 43 I C . 17251 1 411 . 1 1 43 43 ILE CA C 13 62.242 0.4 . 1 . . . . 43 I CA . 17251 1 412 . 1 1 43 43 ILE CB C 13 38.269 0.4 . 1 . . . . 43 I CB . 17251 1 413 . 1 1 43 43 ILE CD1 C 13 16.227 0.4 . 1 . . . . 43 I CD1 . 17251 1 414 . 1 1 43 43 ILE CG1 C 13 23.887 0.4 . 1 . . . . 43 I CG1 . 17251 1 415 . 1 1 43 43 ILE CG2 C 13 18.487 0.4 . 1 . . . . 43 I CG2 . 17251 1 416 . 1 1 43 43 ILE N N 15 110.695 0.4 . 1 . . . . 43 I N . 17251 1 417 . 1 1 44 44 CYS H H 1 8.002 0.03 . 1 . . . . 44 C HN . 17251 1 418 . 1 1 44 44 CYS HA H 1 4.537 0.03 . 1 . . . . 44 C HA . 17251 1 419 . 1 1 44 44 CYS HB2 H 1 3.085 0.03 . 2 . . . . 44 C HB1 . 17251 1 420 . 1 1 44 44 CYS HB3 H 1 3.271 0.03 . 2 . . . . 44 C HB2 . 17251 1 421 . 1 1 44 44 CYS C C 13 176.625 0.4 . 1 . . . . 44 C C . 17251 1 422 . 1 1 44 44 CYS CA C 13 58.146 0.4 . 1 . . . . 44 C CA . 17251 1 423 . 1 1 44 44 CYS CB C 13 29.459 0.4 . 1 . . . . 44 C CB . 17251 1 424 . 1 1 44 44 CYS N N 15 121.076 0.4 . 1 . . . . 44 C N . 17251 1 425 . 1 1 45 45 THR H H 1 9.279 0.03 . 1 . . . . 45 T HN . 17251 1 426 . 1 1 45 45 THR HA H 1 4.585 0.03 . 1 . . . . 45 T HA . 17251 1 427 . 1 1 45 45 THR HB H 1 4.609 0.03 . 1 . . . . 45 T HB . 17251 1 428 . 1 1 45 45 THR HG21 H 1 1.339 0.03 . 1 . . . . 45 T HG21 . 17251 1 429 . 1 1 45 45 THR HG22 H 1 1.339 0.03 . 1 . . . . 45 T HG21 . 17251 1 430 . 1 1 45 45 THR HG23 H 1 1.339 0.03 . 1 . . . . 45 T HG21 . 17251 1 431 . 1 1 45 45 THR C C 13 175.754 0.4 . 1 . . . . 45 T C . 17251 1 432 . 1 1 45 45 THR CA C 13 61.215 0.4 . 1 . . . . 45 T CA . 17251 1 433 . 1 1 45 45 THR CB C 13 71.445 0.4 . 1 . . . . 45 T CB . 17251 1 434 . 1 1 45 45 THR CG2 C 13 22.043 0.4 . 1 . . . . 45 T CG2 . 17251 1 435 . 1 1 45 45 THR N N 15 116.438 0.4 . 1 . . . . 45 T N . 17251 1 436 . 1 1 46 46 ALA H H 1 8.715 0.03 . 1 . . . . 46 A HN . 17251 1 437 . 1 1 46 46 ALA HA H 1 4.034 0.03 . 1 . . . . 46 A HA . 17251 1 438 . 1 1 46 46 ALA HB1 H 1 1.437 0.03 . 1 . . . . 46 A HB1 . 17251 1 439 . 1 1 46 46 ALA HB2 H 1 1.437 0.03 . 1 . . . . 46 A HB1 . 17251 1 440 . 1 1 46 46 ALA HB3 H 1 1.437 0.03 . 1 . . . . 46 A HB1 . 17251 1 441 . 1 1 46 46 ALA C C 13 180.450 0.4 . 1 . . . . 46 A C . 17251 1 442 . 1 1 46 46 ALA CA C 13 55.576 0.4 . 1 . . . . 46 A CA . 17251 1 443 . 1 1 46 46 ALA CB C 13 18.075 0.4 . 1 . . . . 46 A CB . 17251 1 444 . 1 1 46 46 ALA N N 15 123.633 0.4 . 1 . . . . 46 A N . 17251 1 445 . 1 1 47 47 GLU H H 1 8.216 0.03 . 1 . . . . 47 E HN . 17251 1 446 . 1 1 47 47 GLU HA H 1 4.046 0.03 . 1 . . . . 47 E HA . 17251 1 447 . 1 1 47 47 GLU HB2 H 1 1.961 0.03 . 2 . . . . 47 E HB1 . 17251 1 448 . 1 1 47 47 GLU HG2 H 1 2.229 0.03 . 2 . . . . 47 E HG1 . 17251 1 449 . 1 1 47 47 GLU HG3 H 1 2.328 0.03 . 2 . . . . 47 E HG2 . 17251 1 450 . 1 1 47 47 GLU C C 13 178.731 0.4 . 1 . . . . 47 E C . 17251 1 451 . 1 1 47 47 GLU CA C 13 58.969 0.4 . 1 . . . . 47 E CA . 17251 1 452 . 1 1 47 47 GLU CB C 13 29.328 0.4 . 1 . . . . 47 E CB . 17251 1 453 . 1 1 47 47 GLU CG C 13 36.908 0.4 . 1 . . . . 47 E CG . 17251 1 454 . 1 1 47 47 GLU N N 15 116.631 0.4 . 1 . . . . 47 E N . 17251 1 455 . 1 1 48 48 ASP H H 1 7.652 0.03 . 1 . . . . 48 D HN . 17251 1 456 . 1 1 48 48 ASP HA H 1 4.416 0.03 . 1 . . . . 48 D HA . 17251 1 457 . 1 1 48 48 ASP HB2 H 1 2.741 0.03 . 2 . . . . 48 D HB1 . 17251 1 458 . 1 1 48 48 ASP HB3 H 1 2.655 0.03 . 2 . . . . 48 D HB2 . 17251 1 459 . 1 1 48 48 ASP C C 13 176.941 0.4 . 1 . . . . 48 D C . 17251 1 460 . 1 1 48 48 ASP CA C 13 56.350 0.4 . 1 . . . . 48 D CA . 17251 1 461 . 1 1 48 48 ASP CB C 13 41.907 0.4 . 1 . . . . 48 D CB . 17251 1 462 . 1 1 48 48 ASP N N 15 120.380 0.4 . 1 . . . . 48 D N . 17251 1 463 . 1 1 49 49 MET H H 1 7.316 0.03 . 1 . . . . 49 M HN . 17251 1 464 . 1 1 49 49 MET HA H 1 4.243 0.03 . 1 . . . . 49 M HA . 17251 1 465 . 1 1 49 49 MET HB2 H 1 2.114 0.03 . 2 . . . . 49 M HB1 . 17251 1 466 . 1 1 49 49 MET HB3 H 1 2.040 0.03 . 2 . . . . 49 M HB2 . 17251 1 467 . 1 1 49 49 MET HE1 H 1 1.826 0.03 . 1 . . . . 49 M HE1 . 17251 1 468 . 1 1 49 49 MET HE2 H 1 1.826 0.03 . 1 . . . . 49 M HE1 . 17251 1 469 . 1 1 49 49 MET HE3 H 1 1.826 0.03 . 1 . . . . 49 M HE1 . 17251 1 470 . 1 1 49 49 MET HG2 H 1 2.632 0.03 . 2 . . . . 49 M HG1 . 17251 1 471 . 1 1 49 49 MET HG3 H 1 2.695 0.03 . 2 . . . . 49 M HG2 . 17251 1 472 . 1 1 49 49 MET C C 13 176.908 0.4 . 1 . . . . 49 M C . 17251 1 473 . 1 1 49 49 MET CA C 13 56.226 0.4 . 1 . . . . 49 M CA . 17251 1 474 . 1 1 49 49 MET CB C 13 31.850 0.4 . 1 . . . . 49 M CB . 17251 1 475 . 1 1 49 49 MET CE C 13 16.108 0.4 . 1 . . . . 49 M CE . 17251 1 476 . 1 1 49 49 MET CG C 13 32.608 0.4 . 1 . . . . 49 M CG . 17251 1 477 . 1 1 49 49 MET N N 15 114.228 0.4 . 1 . . . . 49 M N . 17251 1 478 . 1 1 50 50 LEU H H 1 7.396 0.03 . 1 . . . . 50 L HN . 17251 1 479 . 1 1 50 50 LEU HA H 1 4.224 0.03 . 1 . . . . 50 L HA . 17251 1 480 . 1 1 50 50 LEU HB2 H 1 1.701 0.03 . 2 . . . . 50 L HB1 . 17251 1 481 . 1 1 50 50 LEU HB3 H 1 1.564 0.03 . 2 . . . . 50 L HB2 . 17251 1 482 . 1 1 50 50 LEU HD11 H 1 0.942 0.03 . 2 . . . . 50 L HD11 . 17251 1 483 . 1 1 50 50 LEU HD12 H 1 0.942 0.03 . 2 . . . . 50 L HD11 . 17251 1 484 . 1 1 50 50 LEU HD13 H 1 0.942 0.03 . 2 . . . . 50 L HD11 . 17251 1 485 . 1 1 50 50 LEU HD21 H 1 0.855 0.03 . 2 . . . . 50 L HD21 . 17251 1 486 . 1 1 50 50 LEU HD22 H 1 0.855 0.03 . 2 . . . . 50 L HD21 . 17251 1 487 . 1 1 50 50 LEU HD23 H 1 0.855 0.03 . 2 . . . . 50 L HD21 . 17251 1 488 . 1 1 50 50 LEU HG H 1 1.699 0.03 . 1 . . . . 50 L HG . 17251 1 489 . 1 1 50 50 LEU C C 13 177.783 0.4 . 1 . . . . 50 L C . 17251 1 490 . 1 1 50 50 LEU CA C 13 57.500 0.4 . 1 . . . . 50 L CA . 17251 1 491 . 1 1 50 50 LEU CB C 13 41.702 0.4 . 1 . . . . 50 L CB . 17251 1 492 . 1 1 50 50 LEU CD1 C 13 24.864 0.4 . 1 . . . . 50 L CD1 . 17251 1 493 . 1 1 50 50 LEU CD2 C 13 23.536 0.4 . 1 . . . . 50 L CD2 . 17251 1 494 . 1 1 50 50 LEU CG C 13 27.252 0.4 . 1 . . . . 50 L CG . 17251 1 495 . 1 1 50 50 LEU N N 15 120.119 0.4 . 1 . . . . 50 L N . 17251 1 496 . 1 1 51 51 ASN H H 1 7.692 0.03 . 1 . . . . 51 N HN . 17251 1 497 . 1 1 51 51 ASN HA H 1 4.771 0.03 . 1 . . . . 51 N HA . 17251 1 498 . 1 1 51 51 ASN HB2 H 1 2.748 0.03 . 2 . . . . 51 N HB1 . 17251 1 499 . 1 1 51 51 ASN HB3 H 1 2.694 0.03 . 2 . . . . 51 N HB2 . 17251 1 500 . 1 1 51 51 ASN HD21 H 1 7.530 0.03 . 2 . . . . 51 N HD21 . 17251 1 501 . 1 1 51 51 ASN HD22 H 1 6.739 0.03 . 2 . . . . 51 N HD22 . 17251 1 502 . 1 1 51 51 ASN CA C 13 52.191 0.4 . 1 . . . . 51 N CA . 17251 1 503 . 1 1 51 51 ASN CB C 13 38.259 0.4 . 1 . . . . 51 N CB . 17251 1 504 . 1 1 51 51 ASN N N 15 113.700 0.4 . 1 . . . . 51 N N . 17251 1 505 . 1 1 51 51 ASN ND2 N 15 112.198 0.4 . 1 . . . . 51 N ND2 . 17251 1 506 . 1 1 52 52 PRO HA H 1 4.165 0.03 . 1 . . . . 52 P HA . 17251 1 507 . 1 1 52 52 PRO HB2 H 1 1.785 0.03 . 2 . . . . 52 P HB1 . 17251 1 508 . 1 1 52 52 PRO HB3 H 1 0.595 0.03 . 2 . . . . 52 P HB2 . 17251 1 509 . 1 1 52 52 PRO HD2 H 1 3.477 0.03 . 2 . . . . 52 P HD1 . 17251 1 510 . 1 1 52 52 PRO HD3 H 1 3.671 0.03 . 2 . . . . 52 P HD2 . 17251 1 511 . 1 1 52 52 PRO HG2 H 1 2.064 0.03 . 2 . . . . 52 P HG1 . 17251 1 512 . 1 1 52 52 PRO HG3 H 1 2.021 0.03 . 2 . . . . 52 P HG2 . 17251 1 513 . 1 1 52 52 PRO C C 13 176.500 0.4 . 1 . . . . 52 P C . 17251 1 514 . 1 1 52 52 PRO CA C 13 63.871 0.4 . 1 . . . . 52 P CA . 17251 1 515 . 1 1 52 52 PRO CB C 13 31.585 0.4 . 1 . . . . 52 P CB . 17251 1 516 . 1 1 52 52 PRO CD C 13 49.886 0.4 . 1 . . . . 52 P CD . 17251 1 517 . 1 1 52 52 PRO CG C 13 27.361 0.4 . 1 . . . . 52 P CG . 17251 1 518 . 1 1 53 53 ASN H H 1 8.377 0.03 . 1 . . . . 53 N HN . 17251 1 519 . 1 1 53 53 ASN HA H 1 4.879 0.03 . 1 . . . . 53 N HA . 17251 1 520 . 1 1 53 53 ASN HB2 H 1 3.098 0.03 . 2 . . . . 53 N HB1 . 17251 1 521 . 1 1 53 53 ASN HB3 H 1 2.696 0.03 . 2 . . . . 53 N HB2 . 17251 1 522 . 1 1 53 53 ASN HD21 H 1 7.545 0.03 . 2 . . . . 53 N HD21 . 17251 1 523 . 1 1 53 53 ASN HD22 H 1 6.846 0.03 . 2 . . . . 53 N HD22 . 17251 1 524 . 1 1 53 53 ASN C C 13 175.640 0.4 . 1 . . . . 53 N C . 17251 1 525 . 1 1 53 53 ASN CA C 13 51.200 0.4 . 1 . . . . 53 N CA . 17251 1 526 . 1 1 53 53 ASN CB C 13 37.041 0.4 . 1 . . . . 53 N CB . 17251 1 527 . 1 1 53 53 ASN N N 15 122.456 0.4 . 1 . . . . 53 N N . 17251 1 528 . 1 1 53 53 ASN ND2 N 15 112.555 0.4 . 1 . . . . 53 N ND2 . 17251 1 529 . 1 1 54 54 TYR H H 1 8.175 0.03 . 1 . . . . 54 Y HN . 17251 1 530 . 1 1 54 54 TYR HA H 1 3.827 0.03 . 1 . . . . 54 Y HA . 17251 1 531 . 1 1 54 54 TYR HB2 H 1 2.870 0.03 . 2 . . . . 54 Y HB1 . 17251 1 532 . 1 1 54 54 TYR HB3 H 1 2.739 0.03 . 2 . . . . 54 Y HB2 . 17251 1 533 . 1 1 54 54 TYR HD1 H 1 6.990 0.03 . 3 . . . . 54 Y HD1 . 17251 1 534 . 1 1 54 54 TYR HE1 H 1 6.720 0.03 . 3 . . . . 54 Y HE1 . 17251 1 535 . 1 1 54 54 TYR C C 13 177.154 0.4 . 1 . . . . 54 Y C . 17251 1 536 . 1 1 54 54 TYR CA C 13 64.666 0.4 . 1 . . . . 54 Y CA . 17251 1 537 . 1 1 54 54 TYR CB C 13 39.063 0.4 . 1 . . . . 54 Y CB . 17251 1 538 . 1 1 54 54 TYR N N 15 121.321 0.4 . 1 . . . . 54 Y N . 17251 1 539 . 1 1 55 55 GLU H H 1 8.678 0.03 . 1 . . . . 55 E HN . 17251 1 540 . 1 1 55 55 GLU HA H 1 3.960 0.03 . 1 . . . . 55 E HA . 17251 1 541 . 1 1 55 55 GLU HB2 H 1 2.151 0.03 . 2 . . . . 55 E HB1 . 17251 1 542 . 1 1 55 55 GLU HB3 H 1 2.045 0.03 . 2 . . . . 55 E HB2 . 17251 1 543 . 1 1 55 55 GLU HG2 H 1 2.419 0.03 . 2 . . . . 55 E HG1 . 17251 1 544 . 1 1 55 55 GLU HG3 H 1 2.313 0.03 . 2 . . . . 55 E HG2 . 17251 1 545 . 1 1 55 55 GLU C C 13 178.734 0.4 . 1 . . . . 55 E C . 17251 1 546 . 1 1 55 55 GLU CA C 13 60.857 0.4 . 1 . . . . 55 E CA . 17251 1 547 . 1 1 55 55 GLU CB C 13 29.012 0.4 . 1 . . . . 55 E CB . 17251 1 548 . 1 1 55 55 GLU CG C 13 37.220 0.4 . 1 . . . . 55 E CG . 17251 1 549 . 1 1 55 55 GLU N N 15 118.101 0.4 . 1 . . . . 55 E N . 17251 1 550 . 1 1 56 56 ASP H H 1 7.279 0.03 . 1 . . . . 56 D HN . 17251 1 551 . 1 1 56 56 ASP HA H 1 4.432 0.03 . 1 . . . . 56 D HA . 17251 1 552 . 1 1 56 56 ASP HB2 H 1 2.542 0.03 . 2 . . . . 56 D HB1 . 17251 1 553 . 1 1 56 56 ASP C C 13 178.416 0.4 . 1 . . . . 56 D C . 17251 1 554 . 1 1 56 56 ASP CA C 13 56.980 0.4 . 1 . . . . 56 D CA . 17251 1 555 . 1 1 56 56 ASP CB C 13 41.895 0.4 . 1 . . . . 56 D CB . 17251 1 556 . 1 1 56 56 ASP N N 15 119.543 0.4 . 1 . . . . 56 D N . 17251 1 557 . 1 1 57 57 LEU H H 1 8.206 0.03 . 1 . . . . 57 L HN . 17251 1 558 . 1 1 57 57 LEU HA H 1 3.972 0.03 . 1 . . . . 57 L HA . 17251 1 559 . 1 1 57 57 LEU HB2 H 1 1.806 0.03 . 2 . . . . 57 L HB1 . 17251 1 560 . 1 1 57 57 LEU HB3 H 1 1.200 0.03 . 2 . . . . 57 L HB2 . 17251 1 561 . 1 1 57 57 LEU HD11 H 1 0.820 0.03 . 2 . . . . 57 L HD11 . 17251 1 562 . 1 1 57 57 LEU HD12 H 1 0.820 0.03 . 2 . . . . 57 L HD11 . 17251 1 563 . 1 1 57 57 LEU HD13 H 1 0.820 0.03 . 2 . . . . 57 L HD11 . 17251 1 564 . 1 1 57 57 LEU HD21 H 1 0.596 0.03 . 2 . . . . 57 L HD21 . 17251 1 565 . 1 1 57 57 LEU HD22 H 1 0.596 0.03 . 2 . . . . 57 L HD21 . 17251 1 566 . 1 1 57 57 LEU HD23 H 1 0.596 0.03 . 2 . . . . 57 L HD21 . 17251 1 567 . 1 1 57 57 LEU HG H 1 1.749 0.03 . 1 . . . . 57 L HG . 17251 1 568 . 1 1 57 57 LEU C C 13 180.487 0.4 . 1 . . . . 57 L C . 17251 1 569 . 1 1 57 57 LEU CA C 13 57.641 0.4 . 1 . . . . 57 L CA . 17251 1 570 . 1 1 57 57 LEU CB C 13 42.700 0.4 . 1 . . . . 57 L CB . 17251 1 571 . 1 1 57 57 LEU CD1 C 13 22.505 0.4 . 1 . . . . 57 L CD1 . 17251 1 572 . 1 1 57 57 LEU CD2 C 13 26.670 0.4 . 1 . . . . 57 L CD2 . 17251 1 573 . 1 1 57 57 LEU CG C 13 26.617 0.4 . 1 . . . . 57 L CG . 17251 1 574 . 1 1 57 57 LEU N N 15 118.600 0.4 . 1 . . . . 57 L N . 17251 1 575 . 1 1 58 58 LEU H H 1 8.311 0.03 . 1 . . . . 58 L HN . 17251 1 576 . 1 1 58 58 LEU HA H 1 4.020 0.03 . 1 . . . . 58 L HA . 17251 1 577 . 1 1 58 58 LEU HB2 H 1 1.995 0.03 . 2 . . . . 58 L HB1 . 17251 1 578 . 1 1 58 58 LEU HB3 H 1 1.665 0.03 . 2 . . . . 58 L HB2 . 17251 1 579 . 1 1 58 58 LEU HD11 H 1 0.962 0.03 . 2 . . . . 58 L HD11 . 17251 1 580 . 1 1 58 58 LEU HD12 H 1 0.962 0.03 . 2 . . . . 58 L HD11 . 17251 1 581 . 1 1 58 58 LEU HD13 H 1 0.962 0.03 . 2 . . . . 58 L HD11 . 17251 1 582 . 1 1 58 58 LEU HD21 H 1 1.001 0.03 . 2 . . . . 58 L HD21 . 17251 1 583 . 1 1 58 58 LEU HD22 H 1 1.001 0.03 . 2 . . . . 58 L HD21 . 17251 1 584 . 1 1 58 58 LEU HD23 H 1 1.001 0.03 . 2 . . . . 58 L HD21 . 17251 1 585 . 1 1 58 58 LEU HG H 1 1.890 0.03 . 1 . . . . 58 L HG . 17251 1 586 . 1 1 58 58 LEU C C 13 179.591 0.4 . 1 . . . . 58 L C . 17251 1 587 . 1 1 58 58 LEU CA C 13 57.746 0.4 . 1 . . . . 58 L CA . 17251 1 588 . 1 1 58 58 LEU CB C 13 41.850 0.4 . 1 . . . . 58 L CB . 17251 1 589 . 1 1 58 58 LEU CD1 C 13 24.102 0.4 . 1 . . . . 58 L CD1 . 17251 1 590 . 1 1 58 58 LEU CD2 C 13 26.337 0.4 . 1 . . . . 58 L CD2 . 17251 1 591 . 1 1 58 58 LEU CG C 13 26.895 0.4 . 1 . . . . 58 L CG . 17251 1 592 . 1 1 58 58 LEU N N 15 119.537 0.4 . 1 . . . . 58 L N . 17251 1 593 . 1 1 59 59 ILE H H 1 7.413 0.03 . 1 . . . . 59 I HN . 17251 1 594 . 1 1 59 59 ILE HA H 1 4.100 0.03 . 1 . . . . 59 I HA . 17251 1 595 . 1 1 59 59 ILE HB H 1 2.093 0.03 . 1 . . . . 59 I HB . 17251 1 596 . 1 1 59 59 ILE HD11 H 1 0.969 0.03 . 1 . . . . 59 I HD11 . 17251 1 597 . 1 1 59 59 ILE HD12 H 1 0.969 0.03 . 1 . . . . 59 I HD11 . 17251 1 598 . 1 1 59 59 ILE HD13 H 1 0.969 0.03 . 1 . . . . 59 I HD11 . 17251 1 599 . 1 1 59 59 ILE HG12 H 1 1.690 0.03 . 1 . . . . 59 I HG11 . 17251 1 600 . 1 1 59 59 ILE HG13 H 1 1.444 0.03 . 1 . . . . 59 I HG12 . 17251 1 601 . 1 1 59 59 ILE HG21 H 1 1.063 0.03 . 1 . . . . 59 I HG21 . 17251 1 602 . 1 1 59 59 ILE HG22 H 1 1.063 0.03 . 1 . . . . 59 I HG21 . 17251 1 603 . 1 1 59 59 ILE HG23 H 1 1.063 0.03 . 1 . . . . 59 I HG21 . 17251 1 604 . 1 1 59 59 ILE C C 13 177.102 0.4 . 1 . . . . 59 I C . 17251 1 605 . 1 1 59 59 ILE CA C 13 63.500 0.4 . 1 . . . . 59 I CA . 17251 1 606 . 1 1 59 59 ILE CB C 13 38.137 0.4 . 1 . . . . 59 I CB . 17251 1 607 . 1 1 59 59 ILE CD1 C 13 13.660 0.4 . 1 . . . . 59 I CD1 . 17251 1 608 . 1 1 59 59 ILE CG1 C 13 29.110 0.4 . 1 . . . . 59 I CG1 . 17251 1 609 . 1 1 59 59 ILE CG2 C 13 17.655 0.4 . 1 . . . . 59 I CG2 . 17251 1 610 . 1 1 59 59 ILE N N 15 117.372 0.4 . 1 . . . . 59 I N . 17251 1 611 . 1 1 60 60 ARG H H 1 7.101 0.03 . 1 . . . . 60 R HN . 17251 1 612 . 1 1 60 60 ARG HA H 1 4.315 0.03 . 1 . . . . 60 R HA . 17251 1 613 . 1 1 60 60 ARG HB2 H 1 2.088 0.03 . 2 . . . . 60 R HB1 . 17251 1 614 . 1 1 60 60 ARG HB3 H 1 1.765 0.03 . 2 . . . . 60 R HB2 . 17251 1 615 . 1 1 60 60 ARG HD2 H 1 3.216 0.03 . 2 . . . . 60 R HD1 . 17251 1 616 . 1 1 60 60 ARG HD3 H 1 3.139 0.03 . 2 . . . . 60 R HD2 . 17251 1 617 . 1 1 60 60 ARG HG2 H 1 1.837 0.03 . 2 . . . . 60 R HG1 . 17251 1 618 . 1 1 60 60 ARG HG3 H 1 1.692 0.03 . 2 . . . . 60 R HG2 . 17251 1 619 . 1 1 60 60 ARG C C 13 176.804 0.4 . 1 . . . . 60 R C . 17251 1 620 . 1 1 60 60 ARG CA C 13 56.541 0.4 . 1 . . . . 60 R CA . 17251 1 621 . 1 1 60 60 ARG CB C 13 30.691 0.4 . 1 . . . . 60 R CB . 17251 1 622 . 1 1 60 60 ARG CD C 13 43.688 0.4 . 1 . . . . 60 R CD . 17251 1 623 . 1 1 60 60 ARG CG C 13 27.705 0.4 . 1 . . . . 60 R CG . 17251 1 624 . 1 1 60 60 ARG N N 15 117.572 0.4 . 1 . . . . 60 R N . 17251 1 625 . 1 1 61 61 LYS H H 1 7.701 0.03 . 1 . . . . 61 K HN . 17251 1 626 . 1 1 61 61 LYS HA H 1 4.369 0.03 . 1 . . . . 61 K HA . 17251 1 627 . 1 1 61 61 LYS HB2 H 1 1.985 0.03 . 2 . . . . 61 K HB1 . 17251 1 628 . 1 1 61 61 LYS HB3 H 1 1.487 0.03 . 2 . . . . 61 K HB2 . 17251 1 629 . 1 1 61 61 LYS HD2 H 1 1.194 0.03 . 2 . . . . 61 K HD1 . 17251 1 630 . 1 1 61 61 LYS HD3 H 1 1.461 0.03 . 2 . . . . 61 K HD2 . 17251 1 631 . 1 1 61 61 LYS HE2 H 1 2.875 0.03 . 2 . . . . 61 K HE1 . 17251 1 632 . 1 1 61 61 LYS HE3 H 1 2.797 0.03 . 2 . . . . 61 K HE2 . 17251 1 633 . 1 1 61 61 LYS HG2 H 1 1.762 0.03 . 2 . . . . 61 K HG1 . 17251 1 634 . 1 1 61 61 LYS C C 13 174.825 0.4 . 1 . . . . 61 K C . 17251 1 635 . 1 1 61 61 LYS CA C 13 53.709 0.4 . 1 . . . . 61 K CA . 17251 1 636 . 1 1 61 61 LYS CB C 13 32.861 0.4 . 1 . . . . 61 K CB . 17251 1 637 . 1 1 61 61 LYS CD C 13 27.828 0.4 . 1 . . . . 61 K CD . 17251 1 638 . 1 1 61 61 LYS CE C 13 42.787 0.4 . 1 . . . . 61 K CE . 17251 1 639 . 1 1 61 61 LYS CG C 13 24.249 0.4 . 1 . . . . 61 K CG . 17251 1 640 . 1 1 61 61 LYS N N 15 119.762 0.4 . 1 . . . . 61 K N . 17251 1 641 . 1 1 62 62 SER H H 1 8.251 0.03 . 1 . . . . 62 S HN . 17251 1 642 . 1 1 62 62 SER HA H 1 4.779 0.03 . 1 . . . . 62 S HA . 17251 1 643 . 1 1 62 62 SER HB2 H 1 3.796 0.03 . 2 . . . . 62 S HB2 . 17251 1 644 . 1 1 62 62 SER C C 13 175.471 0.4 . 1 . . . . 62 S C . 17251 1 645 . 1 1 62 62 SER CA C 13 56.726 0.4 . 1 . . . . 62 S CA . 17251 1 646 . 1 1 62 62 SER CB C 13 66.075 0.4 . 1 . . . . 62 S CB . 17251 1 647 . 1 1 62 62 SER N N 15 115.036 0.4 . 1 . . . . 62 S N . 17251 1 648 . 1 1 63 63 ASN HA H 1 4.400 0.03 . 1 . . . . 63 N HA . 17251 1 649 . 1 1 63 63 ASN HB2 H 1 2.658 0.03 . 2 . . . . 63 N HB1 . 17251 1 650 . 1 1 63 63 ASN HB3 H 1 2.917 0.03 . 2 . . . . 63 N HB2 . 17251 1 651 . 1 1 63 63 ASN HD21 H 1 7.610 0.03 . 2 . . . . 63 N HD21 . 17251 1 652 . 1 1 63 63 ASN HD22 H 1 6.451 0.03 . 2 . . . . 63 N HD22 . 17251 1 653 . 1 1 63 63 ASN C C 13 176.714 0.4 . 1 . . . . 63 N C . 17251 1 654 . 1 1 63 63 ASN CA C 13 57.113 0.4 . 1 . . . . 63 N CA . 17251 1 655 . 1 1 63 63 ASN CB C 13 37.536 0.4 . 1 . . . . 63 N CB . 17251 1 656 . 1 1 63 63 ASN ND2 N 15 112.813 0.4 . 1 . . . . 63 N ND2 . 17251 1 657 . 1 1 64 64 HIS H H 1 7.603 0.03 . 1 . . . . 64 H HN . 17251 1 658 . 1 1 64 64 HIS HA H 1 4.596 0.03 . 1 . . . . 64 H HA . 17251 1 659 . 1 1 64 64 HIS HB2 H 1 3.130 0.03 . 2 . . . . 64 H HB2 . 17251 1 660 . 1 1 64 64 HIS HD2 H 1 7.046 0.03 . 1 . . . . 64 H HD2 . 17251 1 661 . 1 1 64 64 HIS HE1 H 1 8.185 0.03 . 1 . . . . 64 H HE1 . 17251 1 662 . 1 1 64 64 HIS C C 13 176.398 0.4 . 1 . . . . 64 H C . 17251 1 663 . 1 1 64 64 HIS CA C 13 56.756 0.4 . 1 . . . . 64 H CA . 17251 1 664 . 1 1 64 64 HIS CB C 13 29.559 0.4 . 1 . . . . 64 H CB . 17251 1 665 . 1 1 64 64 HIS CD2 C 13 119.944 0.4 . 1 . . . . 64 H CD2 . 17251 1 666 . 1 1 64 64 HIS CE1 C 13 138.455 0.4 . 1 . . . . 64 H CE1 . 17251 1 667 . 1 1 64 64 HIS N N 15 112.900 0.4 . 1 . . . . 64 H N . 17251 1 668 . 1 1 65 65 SER H H 1 7.733 0.03 . 1 . . . . 65 S HN . 17251 1 669 . 1 1 65 65 SER HA H 1 4.127 0.03 . 1 . . . . 65 S HA . 17251 1 670 . 1 1 65 65 SER HB2 H 1 3.178 0.03 . 2 . . . . 65 S HB1 . 17251 1 671 . 1 1 65 65 SER HB3 H 1 3.541 0.03 . 2 . . . . 65 S HB2 . 17251 1 672 . 1 1 65 65 SER C C 13 172.459 0.4 . 1 . . . . 65 S C . 17251 1 673 . 1 1 65 65 SER CA C 13 59.977 0.4 . 1 . . . . 65 S CA . 17251 1 674 . 1 1 65 65 SER CB C 13 62.736 0.4 . 1 . . . . 65 S CB . 17251 1 675 . 1 1 65 65 SER N N 15 116.501 0.4 . 1 . . . . 65 S N . 17251 1 676 . 1 1 66 66 PHE H H 1 7.083 0.03 . 1 . . . . 66 F HN . 17251 1 677 . 1 1 66 66 PHE HA H 1 4.851 0.03 . 1 . . . . 66 F HA . 17251 1 678 . 1 1 66 66 PHE HB2 H 1 2.899 0.03 . 2 . . . . 66 F HB1 . 17251 1 679 . 1 1 66 66 PHE HB3 H 1 2.543 0.03 . 2 . . . . 66 F HB2 . 17251 1 680 . 1 1 66 66 PHE HD1 H 1 6.934 0.03 . 3 . . . . 66 F HD1 . 17251 1 681 . 1 1 66 66 PHE HE1 H 1 6.540 0.03 . 3 . . . . 66 F HE1 . 17251 1 682 . 1 1 66 66 PHE C C 13 173.630 0.4 . 1 . . . . 66 F C . 17251 1 683 . 1 1 66 66 PHE CA C 13 56.707 0.4 . 1 . . . . 66 F CA . 17251 1 684 . 1 1 66 66 PHE CB C 13 41.902 0.4 . 1 . . . . 66 F CB . 17251 1 685 . 1 1 66 66 PHE CE1 C 13 128.036 0.4 . 3 . . . . 66 F CE1 . 17251 1 686 . 1 1 66 66 PHE N N 15 117.427 0.4 . 1 . . . . 66 F N . 17251 1 687 . 1 1 67 67 LEU H H 1 8.909 0.03 . 1 . . . . 67 L HN . 17251 1 688 . 1 1 67 67 LEU HA H 1 4.813 0.03 . 1 . . . . 67 L HA . 17251 1 689 . 1 1 67 67 LEU HB2 H 1 1.617 0.03 . 2 . . . . 67 L HB1 . 17251 1 690 . 1 1 67 67 LEU HB3 H 1 1.507 0.03 . 2 . . . . 67 L HB2 . 17251 1 691 . 1 1 67 67 LEU HD11 H 1 0.833 0.03 . 2 . . . . 67 L HD11 . 17251 1 692 . 1 1 67 67 LEU HD12 H 1 0.833 0.03 . 2 . . . . 67 L HD11 . 17251 1 693 . 1 1 67 67 LEU HD13 H 1 0.833 0.03 . 2 . . . . 67 L HD11 . 17251 1 694 . 1 1 67 67 LEU HD21 H 1 0.799 0.03 . 2 . . . . 67 L HD21 . 17251 1 695 . 1 1 67 67 LEU HD22 H 1 0.799 0.03 . 2 . . . . 67 L HD21 . 17251 1 696 . 1 1 67 67 LEU HD23 H 1 0.799 0.03 . 2 . . . . 67 L HD21 . 17251 1 697 . 1 1 67 67 LEU HG H 1 1.446 0.03 . 1 . . . . 67 L HG . 17251 1 698 . 1 1 67 67 LEU C C 13 175.882 0.4 . 1 . . . . 67 L C . 17251 1 699 . 1 1 67 67 LEU CA C 13 53.731 0.4 . 1 . . . . 67 L CA . 17251 1 700 . 1 1 67 67 LEU CB C 13 43.502 0.4 . 1 . . . . 67 L CB . 17251 1 701 . 1 1 67 67 LEU CD1 C 13 24.122 0.4 . 1 . . . . 67 L CD1 . 17251 1 702 . 1 1 67 67 LEU CD2 C 13 24.629 0.4 . 1 . . . . 67 L CD2 . 17251 1 703 . 1 1 67 67 LEU CG C 13 27.628 0.4 . 1 . . . . 67 L CG . 17251 1 704 . 1 1 67 67 LEU N N 15 126.352 0.4 . 1 . . . . 67 L N . 17251 1 705 . 1 1 68 68 VAL H H 1 9.045 0.03 . 1 . . . . 68 V HN . 17251 1 706 . 1 1 68 68 VAL HA H 1 4.917 0.03 . 1 . . . . 68 V HA . 17251 1 707 . 1 1 68 68 VAL HB H 1 2.000 0.03 . 1 . . . . 68 V HB . 17251 1 708 . 1 1 68 68 VAL HG11 H 1 0.549 0.03 . 2 . . . . 68 V HG11 . 17251 1 709 . 1 1 68 68 VAL HG12 H 1 0.549 0.03 . 2 . . . . 68 V HG11 . 17251 1 710 . 1 1 68 68 VAL HG13 H 1 0.549 0.03 . 2 . . . . 68 V HG11 . 17251 1 711 . 1 1 68 68 VAL HG21 H 1 0.621 0.03 . 2 . . . . 68 V HG21 . 17251 1 712 . 1 1 68 68 VAL HG22 H 1 0.621 0.03 . 2 . . . . 68 V HG21 . 17251 1 713 . 1 1 68 68 VAL HG23 H 1 0.621 0.03 . 2 . . . . 68 V HG21 . 17251 1 714 . 1 1 68 68 VAL C C 13 174.404 0.4 . 1 . . . . 68 V C . 17251 1 715 . 1 1 68 68 VAL CA C 13 60.713 0.4 . 1 . . . . 68 V CA . 17251 1 716 . 1 1 68 68 VAL CB C 13 32.745 0.4 . 1 . . . . 68 V CB . 17251 1 717 . 1 1 68 68 VAL CG1 C 13 22.353 0.4 . 1 . . . . 68 V CG1 . 17251 1 718 . 1 1 68 68 VAL CG2 C 13 21.779 0.4 . 1 . . . . 68 V CG2 . 17251 1 719 . 1 1 68 68 VAL N N 15 128.515 0.4 . 1 . . . . 68 V N . 17251 1 720 . 1 1 69 69 GLN H H 1 8.857 0.03 . 1 . . . . 69 Q HN . 17251 1 721 . 1 1 69 69 GLN HA H 1 4.875 0.03 . 1 . . . . 69 Q HA . 17251 1 722 . 1 1 69 69 GLN HB2 H 1 1.807 0.03 . 2 . . . . 69 Q HB1 . 17251 1 723 . 1 1 69 69 GLN HB3 H 1 1.966 0.03 . 2 . . . . 69 Q HB2 . 17251 1 724 . 1 1 69 69 GLN HE21 H 1 7.427 0.03 . 2 . . . . 69 Q HE21 . 17251 1 725 . 1 1 69 69 GLN HE22 H 1 6.629 0.03 . 2 . . . . 69 Q HE22 . 17251 1 726 . 1 1 69 69 GLN HG2 H 1 2.069 0.03 . 2 . . . . 69 Q HG1 . 17251 1 727 . 1 1 69 69 GLN HG3 H 1 2.112 0.03 . 2 . . . . 69 Q HG2 . 17251 1 728 . 1 1 69 69 GLN C C 13 173.912 0.4 . 1 . . . . 69 Q C . 17251 1 729 . 1 1 69 69 GLN CA C 13 54.460 0.4 . 1 . . . . 69 Q CA . 17251 1 730 . 1 1 69 69 GLN CB C 13 32.610 0.4 . 1 . . . . 69 Q CB . 17251 1 731 . 1 1 69 69 GLN CG C 13 34.054 0.4 . 1 . . . . 69 Q CG . 17251 1 732 . 1 1 69 69 GLN N N 15 126.858 0.4 . 1 . . . . 69 Q N . 17251 1 733 . 1 1 69 69 GLN NE2 N 15 111.242 0.4 . 1 . . . . 69 Q NE2 . 17251 1 734 . 1 1 70 70 ALA H H 1 8.972 0.03 . 1 . . . . 70 A HN . 17251 1 735 . 1 1 70 70 ALA HA H 1 4.855 0.03 . 1 . . . . 70 A HA . 17251 1 736 . 1 1 70 70 ALA HB1 H 1 1.194 0.03 . 1 . . . . 70 A HB1 . 17251 1 737 . 1 1 70 70 ALA HB2 H 1 1.194 0.03 . 1 . . . . 70 A HB1 . 17251 1 738 . 1 1 70 70 ALA HB3 H 1 1.194 0.03 . 1 . . . . 70 A HB1 . 17251 1 739 . 1 1 70 70 ALA C C 13 177.431 0.4 . 1 . . . . 70 A C . 17251 1 740 . 1 1 70 70 ALA CA C 13 49.890 0.4 . 1 . . . . 70 A CA . 17251 1 741 . 1 1 70 70 ALA CB C 13 19.722 0.4 . 1 . . . . 70 A CB . 17251 1 742 . 1 1 70 70 ALA N N 15 132.011 0.4 . 1 . . . . 70 A N . 17251 1 743 . 1 1 71 71 GLY H H 1 9.012 0.03 . 1 . . . . 71 G HN . 17251 1 744 . 1 1 71 71 GLY HA2 H 1 4.066 0.03 . 2 . . . . 71 G HA1 . 17251 1 745 . 1 1 71 71 GLY HA3 H 1 3.684 0.03 . 2 . . . . 71 G HA2 . 17251 1 746 . 1 1 71 71 GLY C C 13 174.897 0.4 . 1 . . . . 71 G C . 17251 1 747 . 1 1 71 71 GLY CA C 13 47.561 0.4 . 1 . . . . 71 G CA . 17251 1 748 . 1 1 71 71 GLY N N 15 115.875 0.4 . 1 . . . . 71 G N . 17251 1 749 . 1 1 72 72 ASN H H 1 8.861 0.03 . 1 . . . . 72 N HN . 17251 1 750 . 1 1 72 72 ASN HA H 1 4.707 0.03 . 1 . . . . 72 N HA . 17251 1 751 . 1 1 72 72 ASN HB2 H 1 2.894 0.03 . 2 . . . . 72 N HB1 . 17251 1 752 . 1 1 72 72 ASN HD21 H 1 7.539 0.03 . 2 . . . . 72 N HD21 . 17251 1 753 . 1 1 72 72 ASN HD22 H 1 6.864 0.03 . 2 . . . . 72 N HD22 . 17251 1 754 . 1 1 72 72 ASN C C 13 174.756 0.4 . 1 . . . . 72 N C . 17251 1 755 . 1 1 72 72 ASN CA C 13 53.335 0.4 . 1 . . . . 72 N CA . 17251 1 756 . 1 1 72 72 ASN CB C 13 38.705 0.4 . 1 . . . . 72 N CB . 17251 1 757 . 1 1 72 72 ASN N N 15 125.673 0.4 . 1 . . . . 72 N N . 17251 1 758 . 1 1 72 72 ASN ND2 N 15 112.746 0.4 . 1 . . . . 72 N ND2 . 17251 1 759 . 1 1 73 73 VAL H H 1 7.844 0.03 . 1 . . . . 73 V HN . 17251 1 760 . 1 1 73 73 VAL HA H 1 4.186 0.03 . 1 . . . . 73 V HA . 17251 1 761 . 1 1 73 73 VAL HB H 1 2.247 0.03 . 1 . . . . 73 V HB . 17251 1 762 . 1 1 73 73 VAL HG11 H 1 1.026 0.03 . 2 . . . . 73 V HG11 . 17251 1 763 . 1 1 73 73 VAL HG12 H 1 1.026 0.03 . 2 . . . . 73 V HG11 . 17251 1 764 . 1 1 73 73 VAL HG13 H 1 1.026 0.03 . 2 . . . . 73 V HG11 . 17251 1 765 . 1 1 73 73 VAL HG21 H 1 0.892 0.03 . 2 . . . . 73 V HG21 . 17251 1 766 . 1 1 73 73 VAL HG22 H 1 0.892 0.03 . 2 . . . . 73 V HG21 . 17251 1 767 . 1 1 73 73 VAL HG23 H 1 0.892 0.03 . 2 . . . . 73 V HG21 . 17251 1 768 . 1 1 73 73 VAL C C 13 174.369 0.4 . 1 . . . . 73 V C . 17251 1 769 . 1 1 73 73 VAL CA C 13 61.963 0.4 . 1 . . . . 73 V CA . 17251 1 770 . 1 1 73 73 VAL CB C 13 33.959 0.4 . 1 . . . . 73 V CB . 17251 1 771 . 1 1 73 73 VAL CG1 C 13 21.071 0.4 . 1 . . . . 73 V CG1 . 17251 1 772 . 1 1 73 73 VAL CG2 C 13 20.910 0.4 . 1 . . . . 73 V CG2 . 17251 1 773 . 1 1 73 73 VAL N N 15 121.333 0.4 . 1 . . . . 73 V N . 17251 1 774 . 1 1 74 74 GLN H H 1 8.460 0.03 . 1 . . . . 74 Q HN . 17251 1 775 . 1 1 74 74 GLN HA H 1 4.723 0.03 . 1 . . . . 74 Q HA . 17251 1 776 . 1 1 74 74 GLN HB2 H 1 1.930 0.03 . 2 . . . . 74 Q HB1 . 17251 1 777 . 1 1 74 74 GLN HB3 H 1 2.068 0.03 . 2 . . . . 74 Q HB2 . 17251 1 778 . 1 1 74 74 GLN HE21 H 1 7.546 0.03 . 2 . . . . 74 Q HE21 . 17251 1 779 . 1 1 74 74 GLN HE22 H 1 6.757 0.03 . 2 . . . . 74 Q HE22 . 17251 1 780 . 1 1 74 74 GLN HG2 H 1 2.177 0.03 . 2 . . . . 74 Q HG1 . 17251 1 781 . 1 1 74 74 GLN HG3 H 1 2.387 0.03 . 2 . . . . 74 Q HG2 . 17251 1 782 . 1 1 74 74 GLN C C 13 175.777 0.4 . 1 . . . . 74 Q C . 17251 1 783 . 1 1 74 74 GLN CA C 13 54.973 0.4 . 1 . . . . 74 Q CA . 17251 1 784 . 1 1 74 74 GLN CB C 13 29.227 0.4 . 1 . . . . 74 Q CB . 17251 1 785 . 1 1 74 74 GLN CG C 13 33.981 0.4 . 1 . . . . 74 Q CG . 17251 1 786 . 1 1 74 74 GLN N N 15 126.495 0.4 . 1 . . . . 74 Q N . 17251 1 787 . 1 1 74 74 GLN NE2 N 15 111.847 0.4 . 1 . . . . 74 Q NE2 . 17251 1 788 . 1 1 75 75 LEU H H 1 8.312 0.03 . 1 . . . . 75 L HN . 17251 1 789 . 1 1 75 75 LEU HA H 1 4.490 0.03 . 1 . . . . 75 L HA . 17251 1 790 . 1 1 75 75 LEU HB2 H 1 1.220 0.03 . 2 . . . . 75 L HB1 . 17251 1 791 . 1 1 75 75 LEU HB3 H 1 0.856 0.03 . 2 . . . . 75 L HB2 . 17251 1 792 . 1 1 75 75 LEU HD11 H 1 -0.607 0.03 . 2 . . . . 75 L HD11 . 17251 1 793 . 1 1 75 75 LEU HD12 H 1 -0.607 0.03 . 2 . . . . 75 L HD11 . 17251 1 794 . 1 1 75 75 LEU HD13 H 1 -0.607 0.03 . 2 . . . . 75 L HD11 . 17251 1 795 . 1 1 75 75 LEU HD21 H 1 0.313 0.03 . 2 . . . . 75 L HD21 . 17251 1 796 . 1 1 75 75 LEU HD22 H 1 0.313 0.03 . 2 . . . . 75 L HD21 . 17251 1 797 . 1 1 75 75 LEU HD23 H 1 0.313 0.03 . 2 . . . . 75 L HD21 . 17251 1 798 . 1 1 75 75 LEU HG H 1 0.978 0.03 . 1 . . . . 75 L HG . 17251 1 799 . 1 1 75 75 LEU C C 13 175.847 0.4 . 1 . . . . 75 L C . 17251 1 800 . 1 1 75 75 LEU CA C 13 53.142 0.4 . 1 . . . . 75 L CA . 17251 1 801 . 1 1 75 75 LEU CB C 13 42.786 0.4 . 1 . . . . 75 L CB . 17251 1 802 . 1 1 75 75 LEU CD1 C 13 23.538 0.4 . 1 . . . . 75 L CD1 . 17251 1 803 . 1 1 75 75 LEU CD2 C 13 22.679 0.4 . 1 . . . . 75 L CD2 . 17251 1 804 . 1 1 75 75 LEU CG C 13 26.389 0.4 . 1 . . . . 75 L CG . 17251 1 805 . 1 1 75 75 LEU N N 15 126.400 0.4 . 1 . . . . 75 L N . 17251 1 806 . 1 1 76 76 ARG H H 1 8.363 0.03 . 1 . . . . 76 R HN . 17251 1 807 . 1 1 76 76 ARG HA H 1 4.214 0.03 . 1 . . . . 76 R HA . 17251 1 808 . 1 1 76 76 ARG HB2 H 1 1.658 0.03 . 2 . . . . 76 R HB1 . 17251 1 809 . 1 1 76 76 ARG HB3 H 1 1.717 0.03 . 2 . . . . 76 R HB2 . 17251 1 810 . 1 1 76 76 ARG HD2 H 1 3.183 0.03 . 2 . . . . 76 R HD1 . 17251 1 811 . 1 1 76 76 ARG HG2 H 1 1.373 0.03 . 2 . . . . 76 R HG1 . 17251 1 812 . 1 1 76 76 ARG HG3 H 1 1.616 0.03 . 2 . . . . 76 R HG2 . 17251 1 813 . 1 1 76 76 ARG C C 13 175.249 0.4 . 1 . . . . 76 R C . 17251 1 814 . 1 1 76 76 ARG CA C 13 56.347 0.4 . 1 . . . . 76 R CA . 17251 1 815 . 1 1 76 76 ARG CB C 13 30.975 0.4 . 1 . . . . 76 R CB . 17251 1 816 . 1 1 76 76 ARG CD C 13 43.451 0.4 . 1 . . . . 76 R CD . 17251 1 817 . 1 1 76 76 ARG CG C 13 27.886 0.4 . 1 . . . . 76 R CG . 17251 1 818 . 1 1 76 76 ARG N N 15 124.854 0.4 . 1 . . . . 76 R N . 17251 1 819 . 1 1 77 77 VAL H H 1 8.186 0.03 . 1 . . . . 77 V HN . 17251 1 820 . 1 1 77 77 VAL HA H 1 4.244 0.03 . 1 . . . . 77 V HA . 17251 1 821 . 1 1 77 77 VAL HB H 1 2.324 0.03 . 1 . . . . 77 V HB . 17251 1 822 . 1 1 77 77 VAL HG11 H 1 0.892 0.03 . 2 . . . . 77 V HG11 . 17251 1 823 . 1 1 77 77 VAL HG12 H 1 0.892 0.03 . 2 . . . . 77 V HG11 . 17251 1 824 . 1 1 77 77 VAL HG13 H 1 0.892 0.03 . 2 . . . . 77 V HG11 . 17251 1 825 . 1 1 77 77 VAL HG21 H 1 1.025 0.03 . 2 . . . . 77 V HG21 . 17251 1 826 . 1 1 77 77 VAL HG22 H 1 1.025 0.03 . 2 . . . . 77 V HG21 . 17251 1 827 . 1 1 77 77 VAL HG23 H 1 1.025 0.03 . 2 . . . . 77 V HG21 . 17251 1 828 . 1 1 77 77 VAL C C 13 176.500 0.4 . 1 . . . . 77 V C . 17251 1 829 . 1 1 77 77 VAL CA C 13 63.086 0.4 . 1 . . . . 77 V CA . 17251 1 830 . 1 1 77 77 VAL CB C 13 31.700 0.4 . 1 . . . . 77 V CB . 17251 1 831 . 1 1 77 77 VAL CG1 C 13 23.600 0.4 . 1 . . . . 77 V CG1 . 17251 1 832 . 1 1 77 77 VAL CG2 C 13 22.787 0.4 . 1 . . . . 77 V CG2 . 17251 1 833 . 1 1 77 77 VAL N N 15 126.562 0.4 . 1 . . . . 77 V N . 17251 1 834 . 1 1 78 78 ILE H H 1 9.185 0.03 . 1 . . . . 78 I HN . 17251 1 835 . 1 1 78 78 ILE HA H 1 4.549 0.03 . 1 . . . . 78 I HA . 17251 1 836 . 1 1 78 78 ILE HB H 1 2.078 0.03 . 1 . . . . 78 I HB . 17251 1 837 . 1 1 78 78 ILE HD11 H 1 0.734 0.03 . 1 . . . . 78 I HD11 . 17251 1 838 . 1 1 78 78 ILE HD12 H 1 0.734 0.03 . 1 . . . . 78 I HD11 . 17251 1 839 . 1 1 78 78 ILE HD13 H 1 0.734 0.03 . 1 . . . . 78 I HD11 . 17251 1 840 . 1 1 78 78 ILE HG12 H 1 0.931 0.03 . 1 . . . . 78 I HG11 . 17251 1 841 . 1 1 78 78 ILE HG13 H 1 0.540 0.03 . 1 . . . . 78 I HG12 . 17251 1 842 . 1 1 78 78 ILE HG21 H 1 0.807 0.03 . 1 . . . . 78 I HG21 . 17251 1 843 . 1 1 78 78 ILE HG22 H 1 0.807 0.03 . 1 . . . . 78 I HG21 . 17251 1 844 . 1 1 78 78 ILE HG23 H 1 0.807 0.03 . 1 . . . . 78 I HG21 . 17251 1 845 . 1 1 78 78 ILE C C 13 176.000 0.4 . 1 . . . . 78 I C . 17251 1 846 . 1 1 78 78 ILE CA C 13 60.707 0.4 . 1 . . . . 78 I CA . 17251 1 847 . 1 1 78 78 ILE CB C 13 39.002 0.4 . 1 . . . . 78 I CB . 17251 1 848 . 1 1 78 78 ILE CD1 C 13 13.795 0.4 . 1 . . . . 78 I CD1 . 17251 1 849 . 1 1 78 78 ILE CG1 C 13 26.434 0.4 . 1 . . . . 78 I CG1 . 17251 1 850 . 1 1 78 78 ILE CG2 C 13 17.854 0.4 . 1 . . . . 78 I CG2 . 17251 1 851 . 1 1 78 78 ILE N N 15 121.077 0.4 . 1 . . . . 78 I N . 17251 1 852 . 1 1 79 79 GLY H H 1 7.714 0.03 . 1 . . . . 79 G HN . 17251 1 853 . 1 1 79 79 GLY HA2 H 1 4.362 0.03 . 2 . . . . 79 G HA1 . 17251 1 854 . 1 1 79 79 GLY HA3 H 1 3.923 0.03 . 2 . . . . 79 G HA2 . 17251 1 855 . 1 1 79 79 GLY C C 13 171.413 0.4 . 1 . . . . 79 G C . 17251 1 856 . 1 1 79 79 GLY CA C 13 46.219 0.4 . 1 . . . . 79 G CA . 17251 1 857 . 1 1 79 79 GLY N N 15 112.340 0.4 . 1 . . . . 79 G N . 17251 1 858 . 1 1 80 80 HIS H H 1 8.265 0.03 . 1 . . . . 80 H HN . 17251 1 859 . 1 1 80 80 HIS HA H 1 5.464 0.03 . 1 . . . . 80 H HA . 17251 1 860 . 1 1 80 80 HIS HB2 H 1 2.460 0.03 . 2 . . . . 80 H HB1 . 17251 1 861 . 1 1 80 80 HIS HB3 H 1 2.891 0.03 . 2 . . . . 80 H HB2 . 17251 1 862 . 1 1 80 80 HIS HD2 H 1 6.540 0.03 . 1 . . . . 80 H HD2 . 17251 1 863 . 1 1 80 80 HIS HE1 H 1 6.945 0.03 . 1 . . . . 80 H HE1 . 17251 1 864 . 1 1 80 80 HIS C C 13 172.610 0.4 . 1 . . . . 80 H C . 17251 1 865 . 1 1 80 80 HIS CA C 13 55.464 0.4 . 1 . . . . 80 H CA . 17251 1 866 . 1 1 80 80 HIS CB C 13 32.720 0.4 . 1 . . . . 80 H CB . 17251 1 867 . 1 1 80 80 HIS CD2 C 13 122.788 0.4 . 1 . . . . 80 H CD2 . 17251 1 868 . 1 1 80 80 HIS CE1 C 13 131.474 0.4 . 1 . . . . 80 H CE1 . 17251 1 869 . 1 1 80 80 HIS N N 15 116.376 0.4 . 1 . . . . 80 H N . 17251 1 870 . 1 1 81 81 SER H H 1 8.438 0.03 . 1 . . . . 81 S HN . 17251 1 871 . 1 1 81 81 SER HA H 1 4.534 0.03 . 1 . . . . 81 S HA . 17251 1 872 . 1 1 81 81 SER HB2 H 1 3.946 0.03 . 2 . . . . 81 S HB1 . 17251 1 873 . 1 1 81 81 SER HB3 H 1 3.842 0.03 . 2 . . . . 81 S HB2 . 17251 1 874 . 1 1 81 81 SER C C 13 171.423 0.4 . 1 . . . . 81 S C . 17251 1 875 . 1 1 81 81 SER CA C 13 57.714 0.4 . 1 . . . . 81 S CA . 17251 1 876 . 1 1 81 81 SER CB C 13 65.419 0.4 . 1 . . . . 81 S CB . 17251 1 877 . 1 1 81 81 SER N N 15 113.230 0.4 . 1 . . . . 81 S N . 17251 1 878 . 1 1 82 82 MET H H 1 8.928 0.03 . 1 . . . . 82 M HN . 17251 1 879 . 1 1 82 82 MET HA H 1 5.077 0.03 . 1 . . . . 82 M HA . 17251 1 880 . 1 1 82 82 MET HB2 H 1 2.138 0.03 . 2 . . . . 82 M HB1 . 17251 1 881 . 1 1 82 82 MET HB3 H 1 1.849 0.03 . 2 . . . . 82 M HB2 . 17251 1 882 . 1 1 82 82 MET HE1 H 1 2.056 0.03 . 1 . . . . 82 M HE1 . 17251 1 883 . 1 1 82 82 MET HE2 H 1 2.056 0.03 . 1 . . . . 82 M HE1 . 17251 1 884 . 1 1 82 82 MET HE3 H 1 2.056 0.03 . 1 . . . . 82 M HE1 . 17251 1 885 . 1 1 82 82 MET HG2 H 1 2.472 0.03 . 2 . . . . 82 M HG1 . 17251 1 886 . 1 1 82 82 MET HG3 H 1 2.328 0.03 . 2 . . . . 82 M HG2 . 17251 1 887 . 1 1 82 82 MET C C 13 174.862 0.4 . 1 . . . . 82 M C . 17251 1 888 . 1 1 82 82 MET CA C 13 55.278 0.4 . 1 . . . . 82 M CA . 17251 1 889 . 1 1 82 82 MET CB C 13 36.319 0.4 . 1 . . . . 82 M CB . 17251 1 890 . 1 1 82 82 MET CE C 13 16.097 0.4 . 1 . . . . 82 M CE . 17251 1 891 . 1 1 82 82 MET CG C 13 31.579 0.4 . 1 . . . . 82 M CG . 17251 1 892 . 1 1 82 82 MET N N 15 122.172 0.4 . 1 . . . . 82 M N . 17251 1 893 . 1 1 83 83 GLN H H 1 8.865 0.03 . 1 . . . . 83 Q HN . 17251 1 894 . 1 1 83 83 GLN HA H 1 4.512 0.03 . 1 . . . . 83 Q HA . 17251 1 895 . 1 1 83 83 GLN HB2 H 1 1.827 0.03 . 2 . . . . 83 Q HB1 . 17251 1 896 . 1 1 83 83 GLN HB3 H 1 1.662 0.03 . 2 . . . . 83 Q HB2 . 17251 1 897 . 1 1 83 83 GLN HE21 H 1 7.238 0.03 . 2 . . . . 83 Q HE21 . 17251 1 898 . 1 1 83 83 GLN HE22 H 1 6.952 0.03 . 2 . . . . 83 Q HE22 . 17251 1 899 . 1 1 83 83 GLN HG2 H 1 2.285 0.03 . 2 . . . . 83 Q HG1 . 17251 1 900 . 1 1 83 83 GLN C C 13 173.912 0.4 . 1 . . . . 83 Q C . 17251 1 901 . 1 1 83 83 GLN CA C 13 54.625 0.4 . 1 . . . . 83 Q CA . 17251 1 902 . 1 1 83 83 GLN CB C 13 30.538 0.4 . 1 . . . . 83 Q CB . 17251 1 903 . 1 1 83 83 GLN CG C 13 33.246 0.4 . 1 . . . . 83 Q CG . 17251 1 904 . 1 1 83 83 GLN N N 15 128.101 0.4 . 1 . . . . 83 Q N . 17251 1 905 . 1 1 83 83 GLN NE2 N 15 111.148 0.4 . 1 . . . . 83 Q NE2 . 17251 1 906 . 1 1 84 84 ASN H H 1 9.259 0.03 . 1 . . . . 84 N HN . 17251 1 907 . 1 1 84 84 ASN HA H 1 4.157 0.03 . 1 . . . . 84 N HA . 17251 1 908 . 1 1 84 84 ASN HB2 H 1 3.322 0.03 . 2 . . . . 84 N HB1 . 17251 1 909 . 1 1 84 84 ASN HB3 H 1 2.682 0.03 . 2 . . . . 84 N HB2 . 17251 1 910 . 1 1 84 84 ASN HD21 H 1 7.810 0.03 . 2 . . . . 84 N HD21 . 17251 1 911 . 1 1 84 84 ASN HD22 H 1 7.298 0.03 . 2 . . . . 84 N HD22 . 17251 1 912 . 1 1 84 84 ASN C C 13 175.003 0.4 . 1 . . . . 84 N C . 17251 1 913 . 1 1 84 84 ASN CA C 13 55.980 0.4 . 1 . . . . 84 N CA . 17251 1 914 . 1 1 84 84 ASN CB C 13 37.545 0.4 . 1 . . . . 84 N CB . 17251 1 915 . 1 1 84 84 ASN N N 15 125.274 0.4 . 1 . . . . 84 N N . 17251 1 916 . 1 1 84 84 ASN ND2 N 15 117.150 0.4 . 1 . . . . 84 N ND2 . 17251 1 917 . 1 1 85 85 CYS H H 1 8.468 0.03 . 1 . . . . 85 C HN . 17251 1 918 . 1 1 85 85 CYS HA H 1 4.397 0.03 . 1 . . . . 85 C HA . 17251 1 919 . 1 1 85 85 CYS HB2 H 1 2.543 0.03 . 2 . . . . 85 C HB1 . 17251 1 920 . 1 1 85 85 CYS HB3 H 1 3.438 0.03 . 2 . . . . 85 C HB2 . 17251 1 921 . 1 1 85 85 CYS C C 13 173.508 0.4 . 1 . . . . 85 C C . 17251 1 922 . 1 1 85 85 CYS CA C 13 59.753 0.4 . 1 . . . . 85 C CA . 17251 1 923 . 1 1 85 85 CYS CB C 13 27.232 0.4 . 1 . . . . 85 C CB . 17251 1 924 . 1 1 85 85 CYS N N 15 118.685 0.4 . 1 . . . . 85 C N . 17251 1 925 . 1 1 86 86 LEU H H 1 8.581 0.03 . 1 . . . . 86 L HN . 17251 1 926 . 1 1 86 86 LEU HA H 1 4.991 0.03 . 1 . . . . 86 L HA . 17251 1 927 . 1 1 86 86 LEU HB2 H 1 1.464 0.03 . 2 . . . . 86 L HB1 . 17251 1 928 . 1 1 86 86 LEU HB3 H 1 1.770 0.03 . 2 . . . . 86 L HB2 . 17251 1 929 . 1 1 86 86 LEU HD11 H 1 0.733 0.03 . 2 . . . . 86 L HD11 . 17251 1 930 . 1 1 86 86 LEU HD12 H 1 0.733 0.03 . 2 . . . . 86 L HD11 . 17251 1 931 . 1 1 86 86 LEU HD13 H 1 0.733 0.03 . 2 . . . . 86 L HD11 . 17251 1 932 . 1 1 86 86 LEU HD21 H 1 0.660 0.03 . 2 . . . . 86 L HD21 . 17251 1 933 . 1 1 86 86 LEU HD22 H 1 0.660 0.03 . 2 . . . . 86 L HD21 . 17251 1 934 . 1 1 86 86 LEU HD23 H 1 0.660 0.03 . 2 . . . . 86 L HD21 . 17251 1 935 . 1 1 86 86 LEU C C 13 176.694 0.4 . 1 . . . . 86 L C . 17251 1 936 . 1 1 86 86 LEU CA C 13 53.465 0.4 . 1 . . . . 86 L CA . 17251 1 937 . 1 1 86 86 LEU CB C 13 44.215 0.4 . 1 . . . . 86 L CB . 17251 1 938 . 1 1 86 86 LEU CD1 C 13 25.960 0.4 . 1 . . . . 86 L CD1 . 17251 1 939 . 1 1 86 86 LEU CD2 C 13 26.661 0.4 . 1 . . . . 86 L CD2 . 17251 1 940 . 1 1 86 86 LEU N N 15 121.013 0.4 . 1 . . . . 86 L N . 17251 1 941 . 1 1 87 87 LEU H H 1 8.983 0.03 . 1 . . . . 87 L HN . 17251 1 942 . 1 1 87 87 LEU HA H 1 4.607 0.03 . 1 . . . . 87 L HA . 17251 1 943 . 1 1 87 87 LEU HB2 H 1 1.166 0.03 . 2 . . . . 87 L HB1 . 17251 1 944 . 1 1 87 87 LEU HB3 H 1 1.522 0.03 . 2 . . . . 87 L HB2 . 17251 1 945 . 1 1 87 87 LEU HD11 H 1 0.717 0.03 . 2 . . . . 87 L HD11 . 17251 1 946 . 1 1 87 87 LEU HD12 H 1 0.717 0.03 . 2 . . . . 87 L HD11 . 17251 1 947 . 1 1 87 87 LEU HD13 H 1 0.717 0.03 . 2 . . . . 87 L HD11 . 17251 1 948 . 1 1 87 87 LEU HD21 H 1 0.559 0.03 . 2 . . . . 87 L HD21 . 17251 1 949 . 1 1 87 87 LEU HD22 H 1 0.559 0.03 . 2 . . . . 87 L HD21 . 17251 1 950 . 1 1 87 87 LEU HD23 H 1 0.559 0.03 . 2 . . . . 87 L HD21 . 17251 1 951 . 1 1 87 87 LEU HG H 1 1.228 0.03 . 1 . . . . 87 L HG . 17251 1 952 . 1 1 87 87 LEU C C 13 174.458 0.4 . 1 . . . . 87 L C . 17251 1 953 . 1 1 87 87 LEU CA C 13 53.964 0.4 . 1 . . . . 87 L CA . 17251 1 954 . 1 1 87 87 LEU CB C 13 44.464 0.4 . 1 . . . . 87 L CB . 17251 1 955 . 1 1 87 87 LEU CD1 C 13 25.469 0.4 . 1 . . . . 87 L CD1 . 17251 1 956 . 1 1 87 87 LEU CD2 C 13 25.905 0.4 . 1 . . . . 87 L CD2 . 17251 1 957 . 1 1 87 87 LEU CG C 13 27.199 0.4 . 1 . . . . 87 L CG . 17251 1 958 . 1 1 87 87 LEU N N 15 122.172 0.4 . 1 . . . . 87 L N . 17251 1 959 . 1 1 88 88 ARG H H 1 8.553 0.03 . 1 . . . . 88 R HN . 17251 1 960 . 1 1 88 88 ARG HA H 1 4.604 0.03 . 1 . . . . 88 R HA . 17251 1 961 . 1 1 88 88 ARG HB2 H 1 1.257 0.03 . 2 . . . . 88 R HB1 . 17251 1 962 . 1 1 88 88 ARG HB3 H 1 1.505 0.03 . 2 . . . . 88 R HB2 . 17251 1 963 . 1 1 88 88 ARG HD2 H 1 3.193 0.03 . 2 . . . . 88 R HD1 . 17251 1 964 . 1 1 88 88 ARG HD3 H 1 3.087 0.03 . 2 . . . . 88 R HD2 . 17251 1 965 . 1 1 88 88 ARG HG2 H 1 1.233 0.03 . 2 . . . . 88 R HG1 . 17251 1 966 . 1 1 88 88 ARG HG3 H 1 1.173 0.03 . 2 . . . . 88 R HG2 . 17251 1 967 . 1 1 88 88 ARG C C 13 175.769 0.4 . 1 . . . . 88 R C . 17251 1 968 . 1 1 88 88 ARG CA C 13 54.228 0.4 . 1 . . . . 88 R CA . 17251 1 969 . 1 1 88 88 ARG CB C 13 31.257 0.4 . 1 . . . . 88 R CB . 17251 1 970 . 1 1 88 88 ARG CD C 13 44.004 0.4 . 1 . . . . 88 R CD . 17251 1 971 . 1 1 88 88 ARG CG C 13 27.223 0.4 . 1 . . . . 88 R CG . 17251 1 972 . 1 1 88 88 ARG N N 15 122.037 0.4 . 1 . . . . 88 R N . 17251 1 973 . 1 1 89 89 LEU H H 1 9.576 0.03 . 1 . . . . 89 L HN . 17251 1 974 . 1 1 89 89 LEU HA H 1 4.719 0.03 . 1 . . . . 89 L HA . 17251 1 975 . 1 1 89 89 LEU HB2 H 1 1.683 0.03 . 2 . . . . 89 L HB1 . 17251 1 976 . 1 1 89 89 LEU HB3 H 1 0.978 0.03 . 2 . . . . 89 L HB2 . 17251 1 977 . 1 1 89 89 LEU HD11 H 1 0.311 0.03 . 2 . . . . 89 L HD11 . 17251 1 978 . 1 1 89 89 LEU HD12 H 1 0.311 0.03 . 2 . . . . 89 L HD11 . 17251 1 979 . 1 1 89 89 LEU HD13 H 1 0.311 0.03 . 2 . . . . 89 L HD11 . 17251 1 980 . 1 1 89 89 LEU HD21 H 1 -0.068 0.03 . 2 . . . . 89 L HD21 . 17251 1 981 . 1 1 89 89 LEU HD22 H 1 -0.068 0.03 . 2 . . . . 89 L HD21 . 17251 1 982 . 1 1 89 89 LEU HD23 H 1 -0.068 0.03 . 2 . . . . 89 L HD21 . 17251 1 983 . 1 1 89 89 LEU HG H 1 1.173 0.03 . 1 . . . . 89 L HG . 17251 1 984 . 1 1 89 89 LEU C C 13 175.531 0.4 . 1 . . . . 89 L C . 17251 1 985 . 1 1 89 89 LEU CA C 13 52.717 0.4 . 1 . . . . 89 L CA . 17251 1 986 . 1 1 89 89 LEU CB C 13 42.041 0.4 . 1 . . . . 89 L CB . 17251 1 987 . 1 1 89 89 LEU CD1 C 13 26.010 0.4 . 1 . . . . 89 L CD1 . 17251 1 988 . 1 1 89 89 LEU CD2 C 13 22.810 0.4 . 1 . . . . 89 L CD2 . 17251 1 989 . 1 1 89 89 LEU CG C 13 25.942 0.4 . 1 . . . . 89 L CG . 17251 1 990 . 1 1 89 89 LEU N N 15 127.430 0.4 . 1 . . . . 89 L N . 17251 1 991 . 1 1 90 90 LYS H H 1 8.441 0.03 . 1 . . . . 90 K HN . 17251 1 992 . 1 1 90 90 LYS HA H 1 4.923 0.03 . 1 . . . . 90 K HA . 17251 1 993 . 1 1 90 90 LYS HB2 H 1 1.508 0.03 . 2 . . . . 90 K HB1 . 17251 1 994 . 1 1 90 90 LYS HB3 H 1 1.449 0.03 . 2 . . . . 90 K HB2 . 17251 1 995 . 1 1 90 90 LYS HD2 H 1 1.545 0.03 . 2 . . . . 90 K HD1 . 17251 1 996 . 1 1 90 90 LYS HE2 H 1 2.884 0.03 . 2 . . . . 90 K HE2 . 17251 1 997 . 1 1 90 90 LYS HG2 H 1 1.384 0.03 . 2 . . . . 90 K HG1 . 17251 1 998 . 1 1 90 90 LYS HG3 H 1 1.252 0.03 . 2 . . . . 90 K HG2 . 17251 1 999 . 1 1 90 90 LYS C C 13 176.780 0.4 . 1 . . . . 90 K C . 17251 1 1000 . 1 1 90 90 LYS CA C 13 54.701 0.4 . 1 . . . . 90 K CA . 17251 1 1001 . 1 1 90 90 LYS CB C 13 32.523 0.4 . 1 . . . . 90 K CB . 17251 1 1002 . 1 1 90 90 LYS CD C 13 28.552 0.4 . 1 . . . . 90 K CD . 17251 1 1003 . 1 1 90 90 LYS CE C 13 41.929 0.4 . 1 . . . . 90 K CE . 17251 1 1004 . 1 1 90 90 LYS CG C 13 24.191 0.4 . 1 . . . . 90 K CG . 17251 1 1005 . 1 1 90 90 LYS N N 15 126.562 0.4 . 1 . . . . 90 K N . 17251 1 1006 . 1 1 91 91 VAL H H 1 8.701 0.03 . 1 . . . . 91 V HN . 17251 1 1007 . 1 1 91 91 VAL HA H 1 5.586 0.03 . 1 . . . . 91 V HA . 17251 1 1008 . 1 1 91 91 VAL HB H 1 2.045 0.03 . 1 . . . . 91 V HB . 17251 1 1009 . 1 1 91 91 VAL HG11 H 1 0.811 0.03 . 2 . . . . 91 V HG11 . 17251 1 1010 . 1 1 91 91 VAL HG12 H 1 0.811 0.03 . 2 . . . . 91 V HG11 . 17251 1 1011 . 1 1 91 91 VAL HG13 H 1 0.811 0.03 . 2 . . . . 91 V HG11 . 17251 1 1012 . 1 1 91 91 VAL HG21 H 1 0.492 0.03 . 2 . . . . 91 V HG21 . 17251 1 1013 . 1 1 91 91 VAL HG22 H 1 0.492 0.03 . 2 . . . . 91 V HG21 . 17251 1 1014 . 1 1 91 91 VAL HG23 H 1 0.492 0.03 . 2 . . . . 91 V HG21 . 17251 1 1015 . 1 1 91 91 VAL C C 13 176.152 0.4 . 1 . . . . 91 V C . 17251 1 1016 . 1 1 91 91 VAL CA C 13 58.618 0.4 . 1 . . . . 91 V CA . 17251 1 1017 . 1 1 91 91 VAL CB C 13 35.245 0.4 . 1 . . . . 91 V CB . 17251 1 1018 . 1 1 91 91 VAL CG1 C 13 18.145 0.4 . 1 . . . . 91 V CG1 . 17251 1 1019 . 1 1 91 91 VAL CG2 C 13 21.885 0.4 . 1 . . . . 91 V CG2 . 17251 1 1020 . 1 1 91 91 VAL N N 15 119.191 0.4 . 1 . . . . 91 V N . 17251 1 1021 . 1 1 92 92 ASP H H 1 8.199 0.03 . 1 . . . . 92 D HN . 17251 1 1022 . 1 1 92 92 ASP HA H 1 4.302 0.03 . 1 . . . . 92 D HA . 17251 1 1023 . 1 1 92 92 ASP HB2 H 1 2.469 0.03 . 2 . . . . 92 D HB1 . 17251 1 1024 . 1 1 92 92 ASP HB3 H 1 3.116 0.03 . 2 . . . . 92 D HB2 . 17251 1 1025 . 1 1 92 92 ASP C C 13 175.659 0.4 . 1 . . . . 92 D C . 17251 1 1026 . 1 1 92 92 ASP CA C 13 54.716 0.4 . 1 . . . . 92 D CA . 17251 1 1027 . 1 1 92 92 ASP CB C 13 41.223 0.4 . 1 . . . . 92 D CB . 17251 1 1028 . 1 1 92 92 ASP N N 15 118.452 0.4 . 1 . . . . 92 D N . 17251 1 1029 . 1 1 93 93 THR H H 1 7.000 0.03 . 1 . . . . 93 T HN . 17251 1 1030 . 1 1 93 93 THR HA H 1 4.585 0.03 . 1 . . . . 93 T HA . 17251 1 1031 . 1 1 93 93 THR HB H 1 4.010 0.03 . 1 . . . . 93 T HB . 17251 1 1032 . 1 1 93 93 THR HG21 H 1 1.370 0.03 . 1 . . . . 93 T HG21 . 17251 1 1033 . 1 1 93 93 THR HG22 H 1 1.370 0.03 . 1 . . . . 93 T HG21 . 17251 1 1034 . 1 1 93 93 THR HG23 H 1 1.370 0.03 . 1 . . . . 93 T HG21 . 17251 1 1035 . 1 1 93 93 THR C C 13 172.431 0.4 . 1 . . . . 93 T C . 17251 1 1036 . 1 1 93 93 THR CA C 13 61.237 0.4 . 1 . . . . 93 T CA . 17251 1 1037 . 1 1 93 93 THR CB C 13 72.762 0.4 . 1 . . . . 93 T CB . 17251 1 1038 . 1 1 93 93 THR CG2 C 13 20.372 0.4 . 1 . . . . 93 T CG2 . 17251 1 1039 . 1 1 93 93 THR N N 15 114.546 0.4 . 1 . . . . 93 T N . 17251 1 1040 . 1 1 94 94 SER H H 1 8.586 0.03 . 1 . . . . 94 S HN . 17251 1 1041 . 1 1 94 94 SER HA H 1 4.545 0.03 . 1 . . . . 94 S HA . 17251 1 1042 . 1 1 94 94 SER HB2 H 1 3.638 0.03 . 2 . . . . 94 S HB1 . 17251 1 1043 . 1 1 94 94 SER C C 13 175.148 0.4 . 1 . . . . 94 S C . 17251 1 1044 . 1 1 94 94 SER CA C 13 56.962 0.4 . 1 . . . . 94 S CA . 17251 1 1045 . 1 1 94 94 SER CB C 13 63.570 0.4 . 1 . . . . 94 S CB . 17251 1 1046 . 1 1 94 94 SER N N 15 121.040 0.4 . 1 . . . . 94 S N . 17251 1 1047 . 1 1 95 95 ASN H H 1 8.240 0.03 . 1 . . . . 95 N HN . 17251 1 1048 . 1 1 95 95 ASN HA H 1 3.352 0.03 . 1 . . . . 95 N HA . 17251 1 1049 . 1 1 95 95 ASN HB2 H 1 2.124 0.03 . 2 . . . . 95 N HB1 . 17251 1 1050 . 1 1 95 95 ASN HB3 H 1 -0.367 0.03 . 2 . . . . 95 N HB2 . 17251 1 1051 . 1 1 95 95 ASN HD21 H 1 7.225 0.03 . 2 . . . . 95 N HD21 . 17251 1 1052 . 1 1 95 95 ASN HD22 H 1 6.273 0.03 . 2 . . . . 95 N HD22 . 17251 1 1053 . 1 1 95 95 ASN CA C 13 50.913 0.4 . 1 . . . . 95 N CA . 17251 1 1054 . 1 1 95 95 ASN CB C 13 34.673 0.4 . 1 . . . . 95 N CB . 17251 1 1055 . 1 1 95 95 ASN N N 15 124.964 0.4 . 1 . . . . 95 N N . 17251 1 1056 . 1 1 95 95 ASN ND2 N 15 111.680 0.4 . 1 . . . . 95 N ND2 . 17251 1 1057 . 1 1 96 96 PRO HA H 1 4.415 0.03 . 1 . . . . 96 P HA . 17251 1 1058 . 1 1 96 96 PRO HB2 H 1 1.996 0.03 . 2 . . . . 96 P HB1 . 17251 1 1059 . 1 1 96 96 PRO HB3 H 1 2.305 0.03 . 2 . . . . 96 P HB2 . 17251 1 1060 . 1 1 96 96 PRO HD2 H 1 3.699 0.03 . 2 . . . . 96 P HD1 . 17251 1 1061 . 1 1 96 96 PRO HD3 H 1 4.136 0.03 . 2 . . . . 96 P HD2 . 17251 1 1062 . 1 1 96 96 PRO HG2 H 1 2.112 0.03 . 2 . . . . 96 P HG1 . 17251 1 1063 . 1 1 96 96 PRO HG3 H 1 1.870 0.03 . 2 . . . . 96 P HG2 . 17251 1 1064 . 1 1 96 96 PRO C C 13 177.032 0.4 . 1 . . . . 96 P C . 17251 1 1065 . 1 1 96 96 PRO CA C 13 64.300 0.4 . 1 . . . . 96 P CA . 17251 1 1066 . 1 1 96 96 PRO CB C 13 32.200 0.4 . 1 . . . . 96 P CB . 17251 1 1067 . 1 1 96 96 PRO CD C 13 51.467 0.4 . 1 . . . . 96 P CD . 17251 1 1068 . 1 1 96 96 PRO CG C 13 26.864 0.4 . 1 . . . . 96 P CG . 17251 1 1069 . 1 1 97 97 LYS H H 1 7.502 0.03 . 1 . . . . 97 K HN . 17251 1 1070 . 1 1 97 97 LYS HA H 1 4.332 0.03 . 1 . . . . 97 K HA . 17251 1 1071 . 1 1 97 97 LYS HB2 H 1 1.507 0.03 . 2 . . . . 97 K HB1 . 17251 1 1072 . 1 1 97 97 LYS HB3 H 1 1.956 0.03 . 2 . . . . 97 K HB2 . 17251 1 1073 . 1 1 97 97 LYS HD2 H 1 1.697 0.03 . 2 . . . . 97 K HD1 . 17251 1 1074 . 1 1 97 97 LYS HE2 H 1 2.996 0.03 . 2 . . . . 97 K HE1 . 17251 1 1075 . 1 1 97 97 LYS HG2 H 1 1.241 0.03 . 2 . . . . 97 K HG1 . 17251 1 1076 . 1 1 97 97 LYS HG3 H 1 1.335 0.03 . 2 . . . . 97 K HG2 . 17251 1 1077 . 1 1 97 97 LYS C C 13 175.507 0.4 . 1 . . . . 97 K C . 17251 1 1078 . 1 1 97 97 LYS CA C 13 54.600 0.4 . 1 . . . . 97 K CA . 17251 1 1079 . 1 1 97 97 LYS CB C 13 31.234 0.4 . 1 . . . . 97 K CB . 17251 1 1080 . 1 1 97 97 LYS CD C 13 29.275 0.4 . 1 . . . . 97 K CD . 17251 1 1081 . 1 1 97 97 LYS CE C 13 42.349 0.4 . 1 . . . . 97 K CE . 17251 1 1082 . 1 1 97 97 LYS CG C 13 25.424 0.4 . 1 . . . . 97 K CG . 17251 1 1083 . 1 1 97 97 LYS N N 15 118.953 0.4 . 1 . . . . 97 K N . 17251 1 1084 . 1 1 98 98 THR H H 1 7.005 0.03 . 1 . . . . 98 T HN . 17251 1 1085 . 1 1 98 98 THR HA H 1 3.908 0.03 . 1 . . . . 98 T HA . 17251 1 1086 . 1 1 98 98 THR HB H 1 4.115 0.03 . 1 . . . . 98 T HB . 17251 1 1087 . 1 1 98 98 THR HG21 H 1 1.655 0.03 . 1 . . . . 98 T HG21 . 17251 1 1088 . 1 1 98 98 THR HG22 H 1 1.655 0.03 . 1 . . . . 98 T HG21 . 17251 1 1089 . 1 1 98 98 THR HG23 H 1 1.655 0.03 . 1 . . . . 98 T HG21 . 17251 1 1090 . 1 1 98 98 THR C C 13 172.569 0.4 . 1 . . . . 98 T C . 17251 1 1091 . 1 1 98 98 THR CA C 13 63.309 0.4 . 1 . . . . 98 T CA . 17251 1 1092 . 1 1 98 98 THR CB C 13 71.234 0.4 . 1 . . . . 98 T CB . 17251 1 1093 . 1 1 98 98 THR CG2 C 13 21.129 0.4 . 1 . . . . 98 T CG2 . 17251 1 1094 . 1 1 98 98 THR N N 15 118.674 0.4 . 1 . . . . 98 T N . 17251 1 1095 . 1 1 99 99 PRO HA H 1 4.774 0.03 . 1 . . . . 99 P HA . 17251 1 1096 . 1 1 99 99 PRO HB2 H 1 2.063 0.03 . 2 . . . . 99 P HB1 . 17251 1 1097 . 1 1 99 99 PRO HB3 H 1 2.244 0.03 . 2 . . . . 99 P HB2 . 17251 1 1098 . 1 1 99 99 PRO HD2 H 1 3.859 0.03 . 2 . . . . 99 P HD1 . 17251 1 1099 . 1 1 99 99 PRO HD3 H 1 3.670 0.03 . 2 . . . . 99 P HD2 . 17251 1 1100 . 1 1 99 99 PRO HG2 H 1 1.803 0.03 . 2 . . . . 99 P HG1 . 17251 1 1101 . 1 1 99 99 PRO HG3 H 1 1.830 0.03 . 2 . . . . 99 P HG2 . 17251 1 1102 . 1 1 99 99 PRO C C 13 176.323 0.4 . 1 . . . . 99 P C . 17251 1 1103 . 1 1 99 99 PRO CA C 13 61.981 0.4 . 1 . . . . 99 P CA . 17251 1 1104 . 1 1 99 99 PRO CB C 13 32.201 0.4 . 1 . . . . 99 P CB . 17251 1 1105 . 1 1 99 99 PRO CD C 13 51.105 0.4 . 1 . . . . 99 P CD . 17251 1 1106 . 1 1 99 99 PRO CG C 13 25.910 0.4 . 1 . . . . 99 P CG . 17251 1 1107 . 1 1 100 100 LYS H H 1 8.274 0.03 . 1 . . . . 100 K HN . 17251 1 1108 . 1 1 100 100 LYS HA H 1 4.255 0.03 . 1 . . . . 100 K HA . 17251 1 1109 . 1 1 100 100 LYS HB2 H 1 1.848 0.03 . 2 . . . . 100 K HB1 . 17251 1 1110 . 1 1 100 100 LYS HD2 H 1 1.633 0.03 . 2 . . . . 100 K HD1 . 17251 1 1111 . 1 1 100 100 LYS HE2 H 1 2.919 0.03 . 2 . . . . 100 K HE1 . 17251 1 1112 . 1 1 100 100 LYS HG2 H 1 1.488 0.03 . 2 . . . . 100 K HG1 . 17251 1 1113 . 1 1 100 100 LYS HG3 H 1 1.353 0.03 . 2 . . . . 100 K HG2 . 17251 1 1114 . 1 1 100 100 LYS C C 13 176.890 0.4 . 1 . . . . 100 K C . 17251 1 1115 . 1 1 100 100 LYS CA C 13 58.319 0.4 . 1 . . . . 100 K CA . 17251 1 1116 . 1 1 100 100 LYS CB C 13 31.769 0.4 . 1 . . . . 100 K CB . 17251 1 1117 . 1 1 100 100 LYS CD C 13 29.306 0.4 . 1 . . . . 100 K CD . 17251 1 1118 . 1 1 100 100 LYS CE C 13 42.193 0.4 . 1 . . . . 100 K CE . 17251 1 1119 . 1 1 100 100 LYS CG C 13 25.312 0.4 . 1 . . . . 100 K CG . 17251 1 1120 . 1 1 100 100 LYS N N 15 121.370 0.4 . 1 . . . . 100 K N . 17251 1 1121 . 1 1 101 101 TYR H H 1 8.097 0.03 . 1 . . . . 101 Y HN . 17251 1 1122 . 1 1 101 101 TYR HA H 1 6.126 0.03 . 1 . . . . 101 Y HA . 17251 1 1123 . 1 1 101 101 TYR HB2 H 1 3.420 0.03 . 2 . . . . 101 Y HB1 . 17251 1 1124 . 1 1 101 101 TYR HB3 H 1 2.896 0.03 . 2 . . . . 101 Y HB2 . 17251 1 1125 . 1 1 101 101 TYR HD1 H 1 7.093 0.03 . 3 . . . . 101 Y HD1 . 17251 1 1126 . 1 1 101 101 TYR HE1 H 1 6.122 0.03 . 3 . . . . 101 Y HE1 . 17251 1 1127 . 1 1 101 101 TYR HH H 1 6.279 0.03 . 1 . . . . 101 Y HH . 17251 1 1128 . 1 1 101 101 TYR C C 13 173.931 0.4 . 1 . . . . 101 Y C . 17251 1 1129 . 1 1 101 101 TYR CA C 13 56.373 0.4 . 1 . . . . 101 Y CA . 17251 1 1130 . 1 1 101 101 TYR CB C 13 43.005 0.4 . 1 . . . . 101 Y CB . 17251 1 1131 . 1 1 101 101 TYR N N 15 122.587 0.4 . 1 . . . . 101 Y N . 17251 1 1132 . 1 1 102 102 LYS H H 1 8.908 0.03 . 1 . . . . 102 K HN . 17251 1 1133 . 1 1 102 102 LYS HA H 1 4.300 0.03 . 1 . . . . 102 K HA . 17251 1 1134 . 1 1 102 102 LYS HB2 H 1 1.679 0.03 . 2 . . . . 102 K HB1 . 17251 1 1135 . 1 1 102 102 LYS HB3 H 1 1.731 0.03 . 2 . . . . 102 K HB2 . 17251 1 1136 . 1 1 102 102 LYS HD2 H 1 1.563 0.03 . 2 . . . . 102 K HD1 . 17251 1 1137 . 1 1 102 102 LYS HE2 H 1 2.885 0.03 . 2 . . . . 102 K HE1 . 17251 1 1138 . 1 1 102 102 LYS HG2 H 1 1.290 0.03 . 2 . . . . 102 K HG1 . 17251 1 1139 . 1 1 102 102 LYS HG3 H 1 1.169 0.03 . 2 . . . . 102 K HG2 . 17251 1 1140 . 1 1 102 102 LYS C C 13 174.110 0.4 . 1 . . . . 102 K C . 17251 1 1141 . 1 1 102 102 LYS CA C 13 54.816 0.4 . 1 . . . . 102 K CA . 17251 1 1142 . 1 1 102 102 LYS CB C 13 36.956 0.4 . 1 . . . . 102 K CB . 17251 1 1143 . 1 1 102 102 LYS CD C 13 29.575 0.4 . 1 . . . . 102 K CD . 17251 1 1144 . 1 1 102 102 LYS CE C 13 42.130 0.4 . 1 . . . . 102 K CE . 17251 1 1145 . 1 1 102 102 LYS CG C 13 24.277 0.4 . 1 . . . . 102 K CG . 17251 1 1146 . 1 1 102 102 LYS N N 15 118.744 0.4 . 1 . . . . 102 K N . 17251 1 1147 . 1 1 103 103 PHE H H 1 8.787 0.03 . 1 . . . . 103 F HN . 17251 1 1148 . 1 1 103 103 PHE HA H 1 5.979 0.03 . 1 . . . . 103 F HA . 17251 1 1149 . 1 1 103 103 PHE HB2 H 1 3.366 0.03 . 2 . . . . 103 F HB1 . 17251 1 1150 . 1 1 103 103 PHE HB3 H 1 3.156 0.03 . 2 . . . . 103 F HB2 . 17251 1 1151 . 1 1 103 103 PHE HD1 H 1 7.255 0.03 . 3 . . . . 103 F HD1 . 17251 1 1152 . 1 1 103 103 PHE HE1 H 1 6.919 0.03 . 3 . . . . 103 F HE1 . 17251 1 1153 . 1 1 103 103 PHE HZ H 1 6.446 0.03 . 1 . . . . 103 F HZ . 17251 1 1154 . 1 1 103 103 PHE C C 13 176.083 0.4 . 1 . . . . 103 F C . 17251 1 1155 . 1 1 103 103 PHE CA C 13 53.367 0.4 . 1 . . . . 103 F CA . 17251 1 1156 . 1 1 103 103 PHE CB C 13 37.920 0.4 . 1 . . . . 103 F CB . 17251 1 1157 . 1 1 103 103 PHE CD1 C 13 129.570 0.4 . 3 . . . . 103 F CD1 . 17251 1 1158 . 1 1 103 103 PHE CE1 C 13 131.429 0.4 . 3 . . . . 103 F CE1 . 17251 1 1159 . 1 1 103 103 PHE CZ C 13 129.067 0.4 . 1 . . . . 103 F CZ . 17251 1 1160 . 1 1 103 103 PHE N N 15 122.917 0.4 . 1 . . . . 103 F N . 17251 1 1161 . 1 1 104 104 VAL H H 1 8.526 0.03 . 1 . . . . 104 V HN . 17251 1 1162 . 1 1 104 104 VAL HA H 1 4.691 0.03 . 1 . . . . 104 V HA . 17251 1 1163 . 1 1 104 104 VAL HB H 1 2.080 0.03 . 1 . . . . 104 V HB . 17251 1 1164 . 1 1 104 104 VAL HG11 H 1 0.757 0.03 . 2 . . . . 104 V HG11 . 17251 1 1165 . 1 1 104 104 VAL HG12 H 1 0.757 0.03 . 2 . . . . 104 V HG11 . 17251 1 1166 . 1 1 104 104 VAL HG13 H 1 0.757 0.03 . 2 . . . . 104 V HG11 . 17251 1 1167 . 1 1 104 104 VAL HG21 H 1 0.887 0.03 . 2 . . . . 104 V HG21 . 17251 1 1168 . 1 1 104 104 VAL HG22 H 1 0.887 0.03 . 2 . . . . 104 V HG21 . 17251 1 1169 . 1 1 104 104 VAL HG23 H 1 0.887 0.03 . 2 . . . . 104 V HG21 . 17251 1 1170 . 1 1 104 104 VAL C C 13 173.537 0.4 . 1 . . . . 104 V C . 17251 1 1171 . 1 1 104 104 VAL CA C 13 59.704 0.4 . 1 . . . . 104 V CA . 17251 1 1172 . 1 1 104 104 VAL CB C 13 35.929 0.4 . 1 . . . . 104 V CB . 17251 1 1173 . 1 1 104 104 VAL CG1 C 13 20.245 0.4 . 1 . . . . 104 V CG1 . 17251 1 1174 . 1 1 104 104 VAL CG2 C 13 21.230 0.4 . 1 . . . . 104 V CG2 . 17251 1 1175 . 1 1 104 104 VAL N N 15 119.269 0.4 . 1 . . . . 104 V N . 17251 1 1176 . 1 1 105 105 ARG H H 1 8.441 0.03 . 1 . . . . 105 R HN . 17251 1 1177 . 1 1 105 105 ARG HA H 1 5.153 0.03 . 1 . . . . 105 R HA . 17251 1 1178 . 1 1 105 105 ARG HB2 H 1 1.921 0.03 . 2 . . . . 105 R HB1 . 17251 1 1179 . 1 1 105 105 ARG HB3 H 1 1.683 0.03 . 2 . . . . 105 R HB2 . 17251 1 1180 . 1 1 105 105 ARG HD2 H 1 3.299 0.03 . 2 . . . . 105 R HD1 . 17251 1 1181 . 1 1 105 105 ARG HD3 H 1 3.121 0.03 . 2 . . . . 105 R HD2 . 17251 1 1182 . 1 1 105 105 ARG HG2 H 1 1.908 0.03 . 2 . . . . 105 R HG1 . 17251 1 1183 . 1 1 105 105 ARG HG3 H 1 1.826 0.03 . 2 . . . . 105 R HG2 . 17251 1 1184 . 1 1 105 105 ARG HH22 H 1 5.027 0.03 . 1 . . . . 105 R HH22 . 17251 1 1185 . 1 1 105 105 ARG CA C 13 55.100 0.4 . 1 . . . . 105 R CA . 17251 1 1186 . 1 1 105 105 ARG CB C 13 32.227 0.4 . 1 . . . . 105 R CB . 17251 1 1187 . 1 1 105 105 ARG CD C 13 43.775 0.4 . 1 . . . . 105 R CD . 17251 1 1188 . 1 1 105 105 ARG CG C 13 29.080 0.4 . 1 . . . . 105 R CG . 17251 1 1189 . 1 1 105 105 ARG N N 15 125.241 0.4 . 1 . . . . 105 R N . 17251 1 1190 . 1 1 106 106 ILE H H 1 8.264 0.03 . 1 . . . . 106 I HN . 17251 1 1191 . 1 1 106 106 ILE HA H 1 4.765 0.03 . 1 . . . . 106 I HA . 17251 1 1192 . 1 1 106 106 ILE HB H 1 1.815 0.03 . 1 . . . . 106 I HB . 17251 1 1193 . 1 1 106 106 ILE HD11 H 1 0.547 0.03 . 1 . . . . 106 I HD11 . 17251 1 1194 . 1 1 106 106 ILE HD12 H 1 0.547 0.03 . 1 . . . . 106 I HD11 . 17251 1 1195 . 1 1 106 106 ILE HD13 H 1 0.547 0.03 . 1 . . . . 106 I HD11 . 17251 1 1196 . 1 1 106 106 ILE HG12 H 1 1.206 0.03 . 1 . . . . 106 I HG11 . 17251 1 1197 . 1 1 106 106 ILE HG13 H 1 1.053 0.03 . 1 . . . . 106 I HG12 . 17251 1 1198 . 1 1 106 106 ILE HG21 H 1 0.714 0.03 . 1 . . . . 106 I HG21 . 17251 1 1199 . 1 1 106 106 ILE HG22 H 1 0.714 0.03 . 1 . . . . 106 I HG21 . 17251 1 1200 . 1 1 106 106 ILE HG23 H 1 0.714 0.03 . 1 . . . . 106 I HG21 . 17251 1 1201 . 1 1 106 106 ILE C C 13 173.121 0.4 . 1 . . . . 106 I C . 17251 1 1202 . 1 1 106 106 ILE CA C 13 60.224 0.4 . 1 . . . . 106 I CA . 17251 1 1203 . 1 1 106 106 ILE CB C 13 41.248 0.4 . 1 . . . . 106 I CB . 17251 1 1204 . 1 1 106 106 ILE CD1 C 13 16.094 0.4 . 1 . . . . 106 I CD1 . 17251 1 1205 . 1 1 106 106 ILE CG1 C 13 27.120 0.4 . 1 . . . . 106 I CG1 . 17251 1 1206 . 1 1 106 106 ILE CG2 C 13 17.462 0.4 . 1 . . . . 106 I CG2 . 17251 1 1207 . 1 1 106 106 ILE N N 15 124.000 0.4 . 1 . . . . 106 I N . 17251 1 1208 . 1 1 107 107 GLN H H 1 7.752 0.03 . 1 . . . . 107 Q HN . 17251 1 1209 . 1 1 107 107 GLN HA H 1 5.012 0.03 . 1 . . . . 107 Q HA . 17251 1 1210 . 1 1 107 107 GLN HB2 H 1 1.816 0.03 . 2 . . . . 107 Q HB1 . 17251 1 1211 . 1 1 107 107 GLN HB3 H 1 2.310 0.03 . 2 . . . . 107 Q HB2 . 17251 1 1212 . 1 1 107 107 GLN HE21 H 1 7.617 0.03 . 2 . . . . 107 Q HE21 . 17251 1 1213 . 1 1 107 107 GLN HE22 H 1 6.904 0.03 . 2 . . . . 107 Q HE22 . 17251 1 1214 . 1 1 107 107 GLN HG2 H 1 2.485 0.03 . 2 . . . . 107 Q HG1 . 17251 1 1215 . 1 1 107 107 GLN C C 13 174.651 0.4 . 1 . . . . 107 Q C . 17251 1 1216 . 1 1 107 107 GLN CA C 13 53.367 0.4 . 1 . . . . 107 Q CA . 17251 1 1217 . 1 1 107 107 GLN CB C 13 29.745 0.4 . 1 . . . . 107 Q CB . 17251 1 1218 . 1 1 107 107 GLN CG C 13 33.588 0.4 . 1 . . . . 107 Q CG . 17251 1 1219 . 1 1 107 107 GLN N N 15 117.865 0.4 . 1 . . . . 107 Q N . 17251 1 1220 . 1 1 107 107 GLN NE2 N 15 113.430 0.4 . 1 . . . . 107 Q NE2 . 17251 1 1221 . 1 1 108 108 PRO HA H 1 4.026 0.03 . 1 . . . . 108 P HA . 17251 1 1222 . 1 1 108 108 PRO HB2 H 1 1.673 0.03 . 2 . . . . 108 P HB1 . 17251 1 1223 . 1 1 108 108 PRO HB3 H 1 1.959 0.03 . 2 . . . . 108 P HB2 . 17251 1 1224 . 1 1 108 108 PRO HD2 H 1 3.710 0.03 . 2 . . . . 108 P HD1 . 17251 1 1225 . 1 1 108 108 PRO HD3 H 1 4.047 0.03 . 2 . . . . 108 P HD2 . 17251 1 1226 . 1 1 108 108 PRO HG2 H 1 1.475 0.03 . 2 . . . . 108 P HG1 . 17251 1 1227 . 1 1 108 108 PRO HG3 H 1 1.900 0.03 . 2 . . . . 108 P HG2 . 17251 1 1228 . 1 1 108 108 PRO C C 13 176.458 0.4 . 1 . . . . 108 P C . 17251 1 1229 . 1 1 108 108 PRO CA C 13 64.487 0.4 . 1 . . . . 108 P CA . 17251 1 1230 . 1 1 108 108 PRO CB C 13 31.540 0.4 . 1 . . . . 108 P CB . 17251 1 1231 . 1 1 108 108 PRO CD C 13 51.100 0.4 . 1 . . . . 108 P CD . 17251 1 1232 . 1 1 108 108 PRO CG C 13 27.949 0.4 . 1 . . . . 108 P CG . 17251 1 1233 . 1 1 109 109 GLY H H 1 8.364 0.03 . 1 . . . . 109 G HN . 17251 1 1234 . 1 1 109 109 GLY HA2 H 1 4.309 0.03 . 2 . . . . 109 G HA1 . 17251 1 1235 . 1 1 109 109 GLY HA3 H 1 3.555 0.03 . 2 . . . . 109 G HA2 . 17251 1 1236 . 1 1 109 109 GLY C C 13 173.630 0.4 . 1 . . . . 109 G C . 17251 1 1237 . 1 1 109 109 GLY CA C 13 45.569 0.4 . 1 . . . . 109 G CA . 17251 1 1238 . 1 1 109 109 GLY N N 15 111.455 0.4 . 1 . . . . 109 G N . 17251 1 1239 . 1 1 110 110 GLN H H 1 7.417 0.03 . 1 . . . . 110 Q HN . 17251 1 1240 . 1 1 110 110 GLN HA H 1 4.581 0.03 . 1 . . . . 110 Q HA . 17251 1 1241 . 1 1 110 110 GLN HB2 H 1 2.274 0.03 . 2 . . . . 110 Q HB1 . 17251 1 1242 . 1 1 110 110 GLN HB3 H 1 2.152 0.03 . 2 . . . . 110 Q HB2 . 17251 1 1243 . 1 1 110 110 GLN HE21 H 1 7.621 0.03 . 2 . . . . 110 Q HE21 . 17251 1 1244 . 1 1 110 110 GLN HE22 H 1 6.920 0.03 . 2 . . . . 110 Q HE22 . 17251 1 1245 . 1 1 110 110 GLN HG2 H 1 2.388 0.03 . 2 . . . . 110 Q HG1 . 17251 1 1246 . 1 1 110 110 GLN C C 13 175.988 0.4 . 1 . . . . 110 Q C . 17251 1 1247 . 1 1 110 110 GLN CA C 13 55.702 0.4 . 1 . . . . 110 Q CA . 17251 1 1248 . 1 1 110 110 GLN CB C 13 29.710 0.4 . 1 . . . . 110 Q CB . 17251 1 1249 . 1 1 110 110 GLN CG C 13 34.279 0.4 . 1 . . . . 110 Q CG . 17251 1 1250 . 1 1 110 110 GLN N N 15 120.547 0.4 . 1 . . . . 110 Q N . 17251 1 1251 . 1 1 110 110 GLN NE2 N 15 112.336 0.4 . 1 . . . . 110 Q NE2 . 17251 1 1252 . 1 1 111 111 THR H H 1 8.442 0.03 . 1 . . . . 111 T HN . 17251 1 1253 . 1 1 111 111 THR HA H 1 4.785 0.03 . 1 . . . . 111 T HA . 17251 1 1254 . 1 1 111 111 THR HB H 1 4.032 0.03 . 1 . . . . 111 T HB . 17251 1 1255 . 1 1 111 111 THR HG21 H 1 1.122 0.03 . 1 . . . . 111 T HG21 . 17251 1 1256 . 1 1 111 111 THR HG22 H 1 1.122 0.03 . 1 . . . . 111 T HG21 . 17251 1 1257 . 1 1 111 111 THR HG23 H 1 1.122 0.03 . 1 . . . . 111 T HG21 . 17251 1 1258 . 1 1 111 111 THR C C 13 174.528 0.4 . 1 . . . . 111 T C . 17251 1 1259 . 1 1 111 111 THR CA C 13 62.503 0.4 . 1 . . . . 111 T CA . 17251 1 1260 . 1 1 111 111 THR CB C 13 70.324 0.4 . 1 . . . . 111 T CB . 17251 1 1261 . 1 1 111 111 THR CG2 C 13 22.000 0.4 . 1 . . . . 111 T CG2 . 17251 1 1262 . 1 1 111 111 THR N N 15 119.797 0.4 . 1 . . . . 111 T N . 17251 1 1263 . 1 1 112 112 PHE H H 1 8.906 0.03 . 1 . . . . 112 F HN . 17251 1 1264 . 1 1 112 112 PHE HA H 1 4.988 0.03 . 1 . . . . 112 F HA . 17251 1 1265 . 1 1 112 112 PHE HB2 H 1 2.542 0.03 . 2 . . . . 112 F HB1 . 17251 1 1266 . 1 1 112 112 PHE HB3 H 1 2.957 0.03 . 2 . . . . 112 F HB2 . 17251 1 1267 . 1 1 112 112 PHE HD1 H 1 6.890 0.03 . 3 . . . . 112 F HD1 . 17251 1 1268 . 1 1 112 112 PHE HE1 H 1 6.594 0.03 . 3 . . . . 112 F HE1 . 17251 1 1269 . 1 1 112 112 PHE HZ H 1 6.974 0.03 . 1 . . . . 112 F HZ . 17251 1 1270 . 1 1 112 112 PHE C C 13 172.697 0.4 . 1 . . . . 112 F C . 17251 1 1271 . 1 1 112 112 PHE CA C 13 55.828 0.4 . 1 . . . . 112 F CA . 17251 1 1272 . 1 1 112 112 PHE CB C 13 39.834 0.4 . 1 . . . . 112 F CB . 17251 1 1273 . 1 1 112 112 PHE CD1 C 13 133.508 0.4 . 3 . . . . 112 F CD1 . 17251 1 1274 . 1 1 112 112 PHE N N 15 121.059 0.4 . 1 . . . . 112 F N . 17251 1 1275 . 1 1 113 113 SER H H 1 8.455 0.03 . 1 . . . . 113 S HN . 17251 1 1276 . 1 1 113 113 SER HA H 1 5.020 0.03 . 1 . . . . 113 S HA . 17251 1 1277 . 1 1 113 113 SER HB2 H 1 3.058 0.03 . 2 . . . . 113 S HB1 . 17251 1 1278 . 1 1 113 113 SER HB3 H 1 2.733 0.03 . 2 . . . . 113 S HB2 . 17251 1 1279 . 1 1 113 113 SER C C 13 172.527 0.4 . 1 . . . . 113 S C . 17251 1 1280 . 1 1 113 113 SER CA C 13 57.725 0.4 . 1 . . . . 113 S CA . 17251 1 1281 . 1 1 113 113 SER CB C 13 65.037 0.4 . 1 . . . . 113 S CB . 17251 1 1282 . 1 1 113 113 SER N N 15 115.516 0.4 . 1 . . . . 113 S N . 17251 1 1283 . 1 1 114 114 VAL H H 1 9.159 0.03 . 1 . . . . 114 V HN . 17251 1 1284 . 1 1 114 114 VAL HA H 1 5.000 0.03 . 1 . . . . 114 V HA . 17251 1 1285 . 1 1 114 114 VAL HB H 1 1.820 0.03 . 1 . . . . 114 V HB . 17251 1 1286 . 1 1 114 114 VAL HG11 H 1 0.863 0.03 . 2 . . . . 114 V HG11 . 17251 1 1287 . 1 1 114 114 VAL HG12 H 1 0.863 0.03 . 2 . . . . 114 V HG11 . 17251 1 1288 . 1 1 114 114 VAL HG13 H 1 0.863 0.03 . 2 . . . . 114 V HG11 . 17251 1 1289 . 1 1 114 114 VAL HG21 H 1 0.806 0.03 . 2 . . . . 114 V HG21 . 17251 1 1290 . 1 1 114 114 VAL HG22 H 1 0.806 0.03 . 2 . . . . 114 V HG21 . 17251 1 1291 . 1 1 114 114 VAL HG23 H 1 0.806 0.03 . 2 . . . . 114 V HG21 . 17251 1 1292 . 1 1 114 114 VAL C C 13 175.364 0.4 . 1 . . . . 114 V C . 17251 1 1293 . 1 1 114 114 VAL CA C 13 60.209 0.4 . 1 . . . . 114 V CA . 17251 1 1294 . 1 1 114 114 VAL CB C 13 35.349 0.4 . 1 . . . . 114 V CB . 17251 1 1295 . 1 1 114 114 VAL CG1 C 13 20.894 0.4 . 1 . . . . 114 V CG1 . 17251 1 1296 . 1 1 114 114 VAL CG2 C 13 23.649 0.4 . 1 . . . . 114 V CG2 . 17251 1 1297 . 1 1 114 114 VAL N N 15 121.867 0.4 . 1 . . . . 114 V N . 17251 1 1298 . 1 1 115 115 LEU H H 1 8.144 0.03 . 1 . . . . 115 L HN . 17251 1 1299 . 1 1 115 115 LEU HA H 1 5.152 0.03 . 1 . . . . 115 L HA . 17251 1 1300 . 1 1 115 115 LEU HB2 H 1 1.472 0.03 . 2 . . . . 115 L HB2 . 17251 1 1301 . 1 1 115 115 LEU HD11 H 1 0.981 0.03 . 2 . . . . 115 L HD11 . 17251 1 1302 . 1 1 115 115 LEU HD12 H 1 0.981 0.03 . 2 . . . . 115 L HD11 . 17251 1 1303 . 1 1 115 115 LEU HD13 H 1 0.981 0.03 . 2 . . . . 115 L HD11 . 17251 1 1304 . 1 1 115 115 LEU HD21 H 1 0.918 0.03 . 2 . . . . 115 L HD21 . 17251 1 1305 . 1 1 115 115 LEU HD22 H 1 0.918 0.03 . 2 . . . . 115 L HD21 . 17251 1 1306 . 1 1 115 115 LEU HD23 H 1 0.918 0.03 . 2 . . . . 115 L HD21 . 17251 1 1307 . 1 1 115 115 LEU HG H 1 2.367 0.03 . 1 . . . . 115 L HG . 17251 1 1308 . 1 1 115 115 LEU C C 13 175.249 0.4 . 1 . . . . 115 L C . 17251 1 1309 . 1 1 115 115 LEU CA C 13 53.217 0.4 . 1 . . . . 115 L CA . 17251 1 1310 . 1 1 115 115 LEU CB C 13 42.536 0.4 . 1 . . . . 115 L CB . 17251 1 1311 . 1 1 115 115 LEU CD1 C 13 24.046 0.4 . 1 . . . . 115 L CD1 . 17251 1 1312 . 1 1 115 115 LEU CD2 C 13 26.682 0.4 . 1 . . . . 115 L CD2 . 17251 1 1313 . 1 1 115 115 LEU N N 15 128.645 0.4 . 1 . . . . 115 L N . 17251 1 1314 . 1 1 116 116 ALA H H 1 8.850 0.03 . 1 . . . . 116 A HN . 17251 1 1315 . 1 1 116 116 ALA HA H 1 4.280 0.03 . 1 . . . . 116 A HA . 17251 1 1316 . 1 1 116 116 ALA HB1 H 1 1.474 0.03 . 1 . . . . 116 A HB1 . 17251 1 1317 . 1 1 116 116 ALA HB2 H 1 1.474 0.03 . 1 . . . . 116 A HB1 . 17251 1 1318 . 1 1 116 116 ALA HB3 H 1 1.474 0.03 . 1 . . . . 116 A HB1 . 17251 1 1319 . 1 1 116 116 ALA C C 13 176.473 0.4 . 1 . . . . 116 A C . 17251 1 1320 . 1 1 116 116 ALA CA C 13 52.725 0.4 . 1 . . . . 116 A CA . 17251 1 1321 . 1 1 116 116 ALA CB C 13 19.360 0.4 . 1 . . . . 116 A CB . 17251 1 1322 . 1 1 116 116 ALA N N 15 132.519 0.4 . 1 . . . . 116 A N . 17251 1 1323 . 1 1 117 117 CYS H H 1 8.379 0.03 . 1 . . . . 117 C HN . 17251 1 1324 . 1 1 117 117 CYS HA H 1 4.905 0.03 . 1 . . . . 117 C HA . 17251 1 1325 . 1 1 117 117 CYS HB2 H 1 2.702 0.03 . 2 . . . . 117 C HB1 . 17251 1 1326 . 1 1 117 117 CYS HB3 H 1 2.437 0.03 . 2 . . . . 117 C HB2 . 17251 1 1327 . 1 1 117 117 CYS C C 13 173.121 0.4 . 1 . . . . 117 C C . 17251 1 1328 . 1 1 117 117 CYS CA C 13 57.890 0.4 . 1 . . . . 117 C CA . 17251 1 1329 . 1 1 117 117 CYS CB C 13 29.718 0.4 . 1 . . . . 117 C CB . 17251 1 1330 . 1 1 117 117 CYS N N 15 122.891 0.4 . 1 . . . . 117 C N . 17251 1 1331 . 1 1 118 118 TYR H H 1 8.250 0.03 . 1 . . . . 118 Y HN . 17251 1 1332 . 1 1 118 118 TYR HA H 1 4.915 0.03 . 1 . . . . 118 Y HA . 17251 1 1333 . 1 1 118 118 TYR HB2 H 1 2.924 0.03 . 2 . . . . 118 Y HB1 . 17251 1 1334 . 1 1 118 118 TYR HB3 H 1 3.031 0.03 . 2 . . . . 118 Y HB2 . 17251 1 1335 . 1 1 118 118 TYR HD1 H 1 7.121 0.03 . 3 . . . . 118 Y HD1 . 17251 1 1336 . 1 1 118 118 TYR HE1 H 1 6.855 0.03 . 3 . . . . 118 Y HE1 . 17251 1 1337 . 1 1 118 118 TYR C C 13 176.023 0.4 . 1 . . . . 118 Y C . 17251 1 1338 . 1 1 118 118 TYR CA C 13 56.225 0.4 . 1 . . . . 118 Y CA . 17251 1 1339 . 1 1 118 118 TYR CB C 13 39.844 0.4 . 1 . . . . 118 Y CB . 17251 1 1340 . 1 1 118 118 TYR CD1 C 13 133.289 0.4 . 3 . . . . 118 Y CD1 . 17251 1 1341 . 1 1 118 118 TYR CE1 C 13 118.412 0.4 . 3 . . . . 118 Y CE1 . 17251 1 1342 . 1 1 118 118 TYR N N 15 124.000 0.4 . 1 . . . . 118 Y N . 17251 1 1343 . 1 1 119 119 ASN H H 1 9.332 0.03 . 1 . . . . 119 N HN . 17251 1 1344 . 1 1 119 119 ASN HA H 1 4.129 0.03 . 1 . . . . 119 N HA . 17251 1 1345 . 1 1 119 119 ASN HB2 H 1 2.524 0.03 . 2 . . . . 119 N HB1 . 17251 1 1346 . 1 1 119 119 ASN HB3 H 1 2.937 0.03 . 2 . . . . 119 N HB2 . 17251 1 1347 . 1 1 119 119 ASN HD21 H 1 6.662 0.03 . 2 . . . . 119 N HD21 . 17251 1 1348 . 1 1 119 119 ASN HD22 H 1 7.321 0.03 . 2 . . . . 119 N HD22 . 17251 1 1349 . 1 1 119 119 ASN C C 13 175.284 0.4 . 1 . . . . 119 N C . 17251 1 1350 . 1 1 119 119 ASN CA C 13 53.851 0.4 . 1 . . . . 119 N CA . 17251 1 1351 . 1 1 119 119 ASN CB C 13 37.311 0.4 . 1 . . . . 119 N CB . 17251 1 1352 . 1 1 119 119 ASN N N 15 126.598 0.4 . 1 . . . . 119 N N . 17251 1 1353 . 1 1 119 119 ASN ND2 N 15 111.461 0.4 . 1 . . . . 119 N ND2 . 17251 1 1354 . 1 1 120 120 GLY H H 1 8.589 0.03 . 1 . . . . 120 G HN . 17251 1 1355 . 1 1 120 120 GLY HA2 H 1 3.541 0.03 . 2 . . . . 120 G HA1 . 17251 1 1356 . 1 1 120 120 GLY HA3 H 1 4.075 0.03 . 2 . . . . 120 G HA2 . 17251 1 1357 . 1 1 120 120 GLY C C 13 173.454 0.4 . 1 . . . . 120 G C . 17251 1 1358 . 1 1 120 120 GLY CA C 13 45.442 0.4 . 1 . . . . 120 G CA . 17251 1 1359 . 1 1 120 120 GLY N N 15 104.718 0.4 . 1 . . . . 120 G N . 17251 1 1360 . 1 1 121 121 SER H H 1 7.677 0.03 . 1 . . . . 121 S HN . 17251 1 1361 . 1 1 121 121 SER HA H 1 5.109 0.03 . 1 . . . . 121 S HA . 17251 1 1362 . 1 1 121 121 SER HB2 H 1 3.960 0.03 . 2 . . . . 121 S HB1 . 17251 1 1363 . 1 1 121 121 SER HB3 H 1 3.814 0.03 . 2 . . . . 121 S HB2 . 17251 1 1364 . 1 1 121 121 SER C C 13 172.641 0.4 . 1 . . . . 121 S C . 17251 1 1365 . 1 1 121 121 SER CA C 13 55.500 0.4 . 1 . . . . 121 S CA . 17251 1 1366 . 1 1 121 121 SER CB C 13 64.400 0.4 . 1 . . . . 121 S CB . 17251 1 1367 . 1 1 121 121 SER N N 15 116.302 0.4 . 1 . . . . 121 S N . 17251 1 1368 . 1 1 122 122 PRO HA H 1 4.840 0.03 . 1 . . . . 122 P HA . 17251 1 1369 . 1 1 122 122 PRO HB2 H 1 2.184 0.03 . 2 . . . . 122 P HB1 . 17251 1 1370 . 1 1 122 122 PRO HB3 H 1 2.089 0.03 . 2 . . . . 122 P HB2 . 17251 1 1371 . 1 1 122 122 PRO HD2 H 1 4.104 0.03 . 2 . . . . 122 P HD1 . 17251 1 1372 . 1 1 122 122 PRO HD3 H 1 3.875 0.03 . 2 . . . . 122 P HD2 . 17251 1 1373 . 1 1 122 122 PRO HG2 H 1 1.950 0.03 . 2 . . . . 122 P HG1 . 17251 1 1374 . 1 1 122 122 PRO HG3 H 1 2.276 0.03 . 2 . . . . 122 P HG2 . 17251 1 1375 . 1 1 122 122 PRO C C 13 176.981 0.4 . 1 . . . . 122 P C . 17251 1 1376 . 1 1 122 122 PRO CA C 13 63.500 0.4 . 1 . . . . 122 P CA . 17251 1 1377 . 1 1 122 122 PRO CB C 13 32.646 0.4 . 1 . . . . 122 P CB . 17251 1 1378 . 1 1 122 122 PRO CD C 13 51.559 0.4 . 1 . . . . 122 P CD . 17251 1 1379 . 1 1 122 122 PRO CG C 13 27.857 0.4 . 1 . . . . 122 P CG . 17251 1 1380 . 1 1 123 123 SER H H 1 9.372 0.03 . 1 . . . . 123 S HN . 17251 1 1381 . 1 1 123 123 SER HA H 1 4.822 0.03 . 1 . . . . 123 S HA . 17251 1 1382 . 1 1 123 123 SER HB2 H 1 3.934 0.03 . 2 . . . . 123 S HB1 . 17251 1 1383 . 1 1 123 123 SER HB3 H 1 3.890 0.03 . 2 . . . . 123 S HB2 . 17251 1 1384 . 1 1 123 123 SER C C 13 174.758 0.4 . 1 . . . . 123 S C . 17251 1 1385 . 1 1 123 123 SER CA C 13 57.980 0.4 . 1 . . . . 123 S CA . 17251 1 1386 . 1 1 123 123 SER CB C 13 64.589 0.4 . 1 . . . . 123 S CB . 17251 1 1387 . 1 1 123 123 SER N N 15 120.341 0.4 . 1 . . . . 123 S N . 17251 1 1388 . 1 1 124 124 GLY H H 1 7.669 0.03 . 1 . . . . 124 G HN . 17251 1 1389 . 1 1 124 124 GLY HA2 H 1 4.011 0.03 . 2 . . . . 124 G HA1 . 17251 1 1390 . 1 1 124 124 GLY HA3 H 1 3.922 0.03 . 2 . . . . 124 G HA2 . 17251 1 1391 . 1 1 124 124 GLY C C 13 170.492 0.4 . 1 . . . . 124 G C . 17251 1 1392 . 1 1 124 124 GLY CA C 13 45.100 0.4 . 1 . . . . 124 G CA . 17251 1 1393 . 1 1 124 124 GLY N N 15 108.791 0.4 . 1 . . . . 124 G N . 17251 1 1394 . 1 1 125 125 VAL H H 1 7.874 0.03 . 1 . . . . 125 V HN . 17251 1 1395 . 1 1 125 125 VAL HA H 1 5.060 0.03 . 1 . . . . 125 V HA . 17251 1 1396 . 1 1 125 125 VAL HB H 1 1.769 0.03 . 1 . . . . 125 V HB . 17251 1 1397 . 1 1 125 125 VAL HG11 H 1 0.777 0.03 . 2 . . . . 125 V HG11 . 17251 1 1398 . 1 1 125 125 VAL HG12 H 1 0.777 0.03 . 2 . . . . 125 V HG11 . 17251 1 1399 . 1 1 125 125 VAL HG13 H 1 0.777 0.03 . 2 . . . . 125 V HG11 . 17251 1 1400 . 1 1 125 125 VAL HG21 H 1 0.977 0.03 . 2 . . . . 125 V HG21 . 17251 1 1401 . 1 1 125 125 VAL HG22 H 1 0.977 0.03 . 2 . . . . 125 V HG21 . 17251 1 1402 . 1 1 125 125 VAL HG23 H 1 0.977 0.03 . 2 . . . . 125 V HG21 . 17251 1 1403 . 1 1 125 125 VAL C C 13 175.197 0.4 . 1 . . . . 125 V C . 17251 1 1404 . 1 1 125 125 VAL CA C 13 60.750 0.4 . 1 . . . . 125 V CA . 17251 1 1405 . 1 1 125 125 VAL CB C 13 33.239 0.4 . 1 . . . . 125 V CB . 17251 1 1406 . 1 1 125 125 VAL CG1 C 13 21.850 0.4 . 1 . . . . 125 V CG1 . 17251 1 1407 . 1 1 125 125 VAL CG2 C 13 22.440 0.4 . 1 . . . . 125 V CG2 . 17251 1 1408 . 1 1 125 125 VAL N N 15 120.148 0.4 . 1 . . . . 125 V N . 17251 1 1409 . 1 1 126 126 TYR H H 1 8.807 0.03 . 1 . . . . 126 Y HN . 17251 1 1410 . 1 1 126 126 TYR HA H 1 4.392 0.03 . 1 . . . . 126 Y HA . 17251 1 1411 . 1 1 126 126 TYR HB2 H 1 2.031 0.03 . 2 . . . . 126 Y HB1 . 17251 1 1412 . 1 1 126 126 TYR HB3 H 1 1.644 0.03 . 2 . . . . 126 Y HB2 . 17251 1 1413 . 1 1 126 126 TYR HD1 H 1 6.557 0.03 . 3 . . . . 126 Y HD1 . 17251 1 1414 . 1 1 126 126 TYR HE1 H 1 6.993 0.03 . 3 . . . . 126 Y HE1 . 17251 1 1415 . 1 1 126 126 TYR HH H 1 5.999 0.03 . 1 . . . . 126 Y HH . 17251 1 1416 . 1 1 126 126 TYR C C 13 174.647 0.4 . 1 . . . . 126 Y C . 17251 1 1417 . 1 1 126 126 TYR CA C 13 56.457 0.4 . 1 . . . . 126 Y CA . 17251 1 1418 . 1 1 126 126 TYR CB C 13 41.550 0.4 . 1 . . . . 126 Y CB . 17251 1 1419 . 1 1 126 126 TYR CD1 C 13 133.508 0.4 . 3 . . . . 126 Y CD1 . 17251 1 1420 . 1 1 126 126 TYR N N 15 126.831 0.4 . 1 . . . . 126 Y N . 17251 1 1421 . 1 1 127 127 GLN H H 1 8.518 0.03 . 1 . . . . 127 Q HN . 17251 1 1422 . 1 1 127 127 GLN HA H 1 4.723 0.03 . 1 . . . . 127 Q HA . 17251 1 1423 . 1 1 127 127 GLN HB2 H 1 1.779 0.03 . 2 . . . . 127 Q HB1 . 17251 1 1424 . 1 1 127 127 GLN HB3 H 1 1.835 0.03 . 2 . . . . 127 Q HB2 . 17251 1 1425 . 1 1 127 127 GLN HE21 H 1 7.271 0.03 . 2 . . . . 127 Q HE21 . 17251 1 1426 . 1 1 127 127 GLN HE22 H 1 6.699 0.03 . 2 . . . . 127 Q HE22 . 17251 1 1427 . 1 1 127 127 GLN HG2 H 1 2.100 0.03 . 2 . . . . 127 Q HG2 . 17251 1 1428 . 1 1 127 127 GLN C C 13 175.700 0.4 . 1 . . . . 127 Q C . 17251 1 1429 . 1 1 127 127 GLN CA C 13 55.508 0.4 . 1 . . . . 127 Q CA . 17251 1 1430 . 1 1 127 127 GLN CB C 13 30.060 0.4 . 1 . . . . 127 Q CB . 17251 1 1431 . 1 1 127 127 GLN CG C 13 34.592 0.4 . 1 . . . . 127 Q CG . 17251 1 1432 . 1 1 127 127 GLN N N 15 122.619 0.4 . 1 . . . . 127 Q N . 17251 1 1433 . 1 1 127 127 GLN NE2 N 15 112.152 0.4 . 1 . . . . 127 Q NE2 . 17251 1 1434 . 1 1 128 128 CYS H H 1 8.805 0.03 . 1 . . . . 128 C HN . 17251 1 1435 . 1 1 128 128 CYS HA H 1 4.693 0.03 . 1 . . . . 128 C HA . 17251 1 1436 . 1 1 128 128 CYS HB2 H 1 2.383 0.03 . 2 . . . . 128 C HB1 . 17251 1 1437 . 1 1 128 128 CYS HB3 H 1 2.017 0.03 . 2 . . . . 128 C HB2 . 17251 1 1438 . 1 1 128 128 CYS C C 13 170.368 0.4 . 1 . . . . 128 C C . 17251 1 1439 . 1 1 128 128 CYS CA C 13 56.699 0.4 . 1 . . . . 128 C CA . 17251 1 1440 . 1 1 128 128 CYS CB C 13 31.562 0.4 . 1 . . . . 128 C CB . 17251 1 1441 . 1 1 128 128 CYS N N 15 121.877 0.4 . 1 . . . . 128 C N . 17251 1 1442 . 1 1 129 129 ALA H H 1 7.529 0.03 . 1 . . . . 129 A HN . 17251 1 1443 . 1 1 129 129 ALA HA H 1 4.420 0.03 . 1 . . . . 129 A HA . 17251 1 1444 . 1 1 129 129 ALA HB1 H 1 1.000 0.03 . 1 . . . . 129 A HB1 . 17251 1 1445 . 1 1 129 129 ALA HB2 H 1 1.000 0.03 . 1 . . . . 129 A HB1 . 17251 1 1446 . 1 1 129 129 ALA HB3 H 1 1.000 0.03 . 1 . . . . 129 A HB1 . 17251 1 1447 . 1 1 129 129 ALA C C 13 177.133 0.4 . 1 . . . . 129 A C . 17251 1 1448 . 1 1 129 129 ALA CA C 13 51.271 0.4 . 1 . . . . 129 A CA . 17251 1 1449 . 1 1 129 129 ALA CB C 13 22.159 0.4 . 1 . . . . 129 A CB . 17251 1 1450 . 1 1 129 129 ALA N N 15 117.644 0.4 . 1 . . . . 129 A N . 17251 1 1451 . 1 1 130 130 MET H H 1 9.134 0.03 . 1 . . . . 130 M HN . 17251 1 1452 . 1 1 130 130 MET HA H 1 4.353 0.03 . 1 . . . . 130 M HA . 17251 1 1453 . 1 1 130 130 MET HB2 H 1 2.350 0.03 . 2 . . . . 130 M HB1 . 17251 1 1454 . 1 1 130 130 MET HB3 H 1 1.858 0.03 . 2 . . . . 130 M HB2 . 17251 1 1455 . 1 1 130 130 MET HE1 H 1 1.076 0.03 . 1 . . . . 130 M HE1 . 17251 1 1456 . 1 1 130 130 MET HE2 H 1 1.076 0.03 . 1 . . . . 130 M HE1 . 17251 1 1457 . 1 1 130 130 MET HE3 H 1 1.076 0.03 . 1 . . . . 130 M HE1 . 17251 1 1458 . 1 1 130 130 MET HG2 H 1 2.178 0.03 . 2 . . . . 130 M HG1 . 17251 1 1459 . 1 1 130 130 MET HG3 H 1 1.927 0.03 . 2 . . . . 130 M HG2 . 17251 1 1460 . 1 1 130 130 MET C C 13 177.747 0.4 . 1 . . . . 130 M C . 17251 1 1461 . 1 1 130 130 MET CA C 13 56.715 0.4 . 1 . . . . 130 M CA . 17251 1 1462 . 1 1 130 130 MET CB C 13 33.054 0.4 . 1 . . . . 130 M CB . 17251 1 1463 . 1 1 130 130 MET CE C 13 16.586 0.4 . 1 . . . . 130 M CE . 17251 1 1464 . 1 1 130 130 MET CG C 13 32.312 0.4 . 1 . . . . 130 M CG . 17251 1 1465 . 1 1 130 130 MET N N 15 120.224 0.4 . 1 . . . . 130 M N . 17251 1 1466 . 1 1 131 131 ARG H H 1 8.853 0.03 . 1 . . . . 131 R HN . 17251 1 1467 . 1 1 131 131 ARG HA H 1 4.474 0.03 . 1 . . . . 131 R HA . 17251 1 1468 . 1 1 131 131 ARG HB2 H 1 1.843 0.03 . 2 . . . . 131 R HB1 . 17251 1 1469 . 1 1 131 131 ARG HB3 H 1 2.131 0.03 . 2 . . . . 131 R HB2 . 17251 1 1470 . 1 1 131 131 ARG HD2 H 1 3.250 0.03 . 2 . . . . 131 R HD1 . 17251 1 1471 . 1 1 131 131 ARG HG2 H 1 1.983 0.03 . 2 . . . . 131 R HG1 . 17251 1 1472 . 1 1 131 131 ARG HG3 H 1 1.881 0.03 . 2 . . . . 131 R HG2 . 17251 1 1473 . 1 1 131 131 ARG CA C 13 55.912 0.4 . 1 . . . . 131 R CA . 17251 1 1474 . 1 1 131 131 ARG CB C 13 31.848 0.4 . 1 . . . . 131 R CB . 17251 1 1475 . 1 1 131 131 ARG CD C 13 43.520 0.4 . 1 . . . . 131 R CD . 17251 1 1476 . 1 1 131 131 ARG CG C 13 28.260 0.4 . 1 . . . . 131 R CG . 17251 1 1477 . 1 1 131 131 ARG N N 15 124.505 0.4 . 1 . . . . 131 R N . 17251 1 1478 . 1 1 132 132 PRO HA H 1 4.018 0.03 . 1 . . . . 132 P HA . 17251 1 1479 . 1 1 132 132 PRO HB2 H 1 2.377 0.03 . 2 . . . . 132 P HB1 . 17251 1 1480 . 1 1 132 132 PRO HB3 H 1 1.868 0.03 . 2 . . . . 132 P HB2 . 17251 1 1481 . 1 1 132 132 PRO HD2 H 1 3.741 0.03 . 2 . . . . 132 P HD1 . 17251 1 1482 . 1 1 132 132 PRO HD3 H 1 3.878 0.03 . 2 . . . . 132 P HD2 . 17251 1 1483 . 1 1 132 132 PRO HG2 H 1 2.140 0.03 . 2 . . . . 132 P HG1 . 17251 1 1484 . 1 1 132 132 PRO HG3 H 1 1.956 0.03 . 2 . . . . 132 P HG2 . 17251 1 1485 . 1 1 132 132 PRO C C 13 175.714 0.4 . 1 . . . . 132 P C . 17251 1 1486 . 1 1 132 132 PRO CA C 13 65.691 0.4 . 1 . . . . 132 P CA . 17251 1 1487 . 1 1 132 132 PRO CB C 13 31.709 0.4 . 1 . . . . 132 P CB . 17251 1 1488 . 1 1 132 132 PRO CD C 13 50.718 0.4 . 1 . . . . 132 P CD . 17251 1 1489 . 1 1 132 132 PRO CG C 13 27.978 0.4 . 1 . . . . 132 P CG . 17251 1 1490 . 1 1 133 133 ASN H H 1 7.167 0.03 . 1 . . . . 133 N HN . 17251 1 1491 . 1 1 133 133 ASN HA H 1 4.783 0.03 . 1 . . . . 133 N HA . 17251 1 1492 . 1 1 133 133 ASN HB2 H 1 2.833 0.03 . 2 . . . . 133 N HB1 . 17251 1 1493 . 1 1 133 133 ASN HB3 H 1 3.527 0.03 . 2 . . . . 133 N HB2 . 17251 1 1494 . 1 1 133 133 ASN HD22 H 1 7.300 0.03 . 2 . . . . 133 N HD22 . 17251 1 1495 . 1 1 133 133 ASN C C 13 175.606 0.4 . 1 . . . . 133 N C . 17251 1 1496 . 1 1 133 133 ASN CA C 13 52.160 0.4 . 1 . . . . 133 N CA . 17251 1 1497 . 1 1 133 133 ASN CB C 13 37.120 0.4 . 1 . . . . 133 N CB . 17251 1 1498 . 1 1 133 133 ASN N N 15 112.229 0.4 . 1 . . . . 133 N N . 17251 1 1499 . 1 1 133 133 ASN ND2 N 15 111.000 0.4 . 1 . . . . 133 N ND2 . 17251 1 1500 . 1 1 134 134 HIS H H 1 8.544 0.03 . 1 . . . . 134 H HN . 17251 1 1501 . 1 1 134 134 HIS HA H 1 4.031 0.03 . 1 . . . . 134 H HA . 17251 1 1502 . 1 1 134 134 HIS HB2 H 1 3.595 0.03 . 2 . . . . 134 H HB1 . 17251 1 1503 . 1 1 134 134 HIS HB3 H 1 3.840 0.03 . 2 . . . . 134 H HB2 . 17251 1 1504 . 1 1 134 134 HIS HD2 H 1 7.031 0.03 . 1 . . . . 134 H HD2 . 17251 1 1505 . 1 1 134 134 HIS HE1 H 1 6.892 0.03 . 1 . . . . 134 H HE1 . 17251 1 1506 . 1 1 134 134 HIS C C 13 173.912 0.4 . 1 . . . . 134 H C . 17251 1 1507 . 1 1 134 134 HIS CA C 13 60.570 0.4 . 1 . . . . 134 H CA . 17251 1 1508 . 1 1 134 134 HIS CB C 13 26.560 0.4 . 1 . . . . 134 H CB . 17251 1 1509 . 1 1 134 134 HIS N N 15 109.629 0.4 . 1 . . . . 134 H N . 17251 1 1510 . 1 1 135 135 THR H H 1 7.290 0.03 . 1 . . . . 135 T HN . 17251 1 1511 . 1 1 135 135 THR HA H 1 5.060 0.03 . 1 . . . . 135 T HA . 17251 1 1512 . 1 1 135 135 THR HB H 1 4.079 0.03 . 1 . . . . 135 T HB . 17251 1 1513 . 1 1 135 135 THR HG21 H 1 1.088 0.03 . 1 . . . . 135 T HG21 . 17251 1 1514 . 1 1 135 135 THR HG22 H 1 1.088 0.03 . 1 . . . . 135 T HG21 . 17251 1 1515 . 1 1 135 135 THR HG23 H 1 1.088 0.03 . 1 . . . . 135 T HG21 . 17251 1 1516 . 1 1 135 135 THR C C 13 174.148 0.4 . 1 . . . . 135 T C . 17251 1 1517 . 1 1 135 135 THR CA C 13 60.455 0.4 . 1 . . . . 135 T CA . 17251 1 1518 . 1 1 135 135 THR CB C 13 73.368 0.4 . 1 . . . . 135 T CB . 17251 1 1519 . 1 1 135 135 THR CG2 C 13 22.774 0.4 . 1 . . . . 135 T CG2 . 17251 1 1520 . 1 1 135 135 THR N N 15 106.596 0.4 . 1 . . . . 135 T N . 17251 1 1521 . 1 1 136 136 ILE H H 1 8.108 0.03 . 1 . . . . 136 I HN . 17251 1 1522 . 1 1 136 136 ILE HA H 1 4.556 0.03 . 1 . . . . 136 I HA . 17251 1 1523 . 1 1 136 136 ILE HB H 1 1.466 0.03 . 1 . . . . 136 I HB . 17251 1 1524 . 1 1 136 136 ILE HD11 H 1 0.400 0.03 . 1 . . . . 136 I HD11 . 17251 1 1525 . 1 1 136 136 ILE HD12 H 1 0.400 0.03 . 1 . . . . 136 I HD11 . 17251 1 1526 . 1 1 136 136 ILE HD13 H 1 0.400 0.03 . 1 . . . . 136 I HD11 . 17251 1 1527 . 1 1 136 136 ILE HG12 H 1 0.717 0.03 . 1 . . . . 136 I HG11 . 17251 1 1528 . 1 1 136 136 ILE HG13 H 1 1.512 0.03 . 1 . . . . 136 I HG12 . 17251 1 1529 . 1 1 136 136 ILE HG21 H 1 0.691 0.03 . 1 . . . . 136 I HG21 . 17251 1 1530 . 1 1 136 136 ILE HG22 H 1 0.691 0.03 . 1 . . . . 136 I HG21 . 17251 1 1531 . 1 1 136 136 ILE HG23 H 1 0.691 0.03 . 1 . . . . 136 I HG21 . 17251 1 1532 . 1 1 136 136 ILE C C 13 175.500 0.4 . 1 . . . . 136 I C . 17251 1 1533 . 1 1 136 136 ILE CA C 13 60.479 0.4 . 1 . . . . 136 I CA . 17251 1 1534 . 1 1 136 136 ILE CB C 13 42.543 0.4 . 1 . . . . 136 I CB . 17251 1 1535 . 1 1 136 136 ILE CD1 C 13 13.825 0.4 . 1 . . . . 136 I CD1 . 17251 1 1536 . 1 1 136 136 ILE CG1 C 13 27.919 0.4 . 1 . . . . 136 I CG1 . 17251 1 1537 . 1 1 136 136 ILE CG2 C 13 17.400 0.4 . 1 . . . . 136 I CG2 . 17251 1 1538 . 1 1 136 136 ILE N N 15 118.125 0.4 . 1 . . . . 136 I N . 17251 1 1539 . 1 1 137 137 LYS H H 1 8.614 0.03 . 1 . . . . 137 K HN . 17251 1 1540 . 1 1 137 137 LYS HA H 1 4.772 0.03 . 1 . . . . 137 K HA . 17251 1 1541 . 1 1 137 137 LYS HB2 H 1 1.935 0.03 . 2 . . . . 137 K HB1 . 17251 1 1542 . 1 1 137 137 LYS HB3 H 1 1.481 0.03 . 2 . . . . 137 K HB2 . 17251 1 1543 . 1 1 137 137 LYS HD2 H 1 1.612 0.03 . 2 . . . . 137 K HD1 . 17251 1 1544 . 1 1 137 137 LYS HE2 H 1 2.977 0.03 . 2 . . . . 137 K HE1 . 17251 1 1545 . 1 1 137 137 LYS HE3 H 1 2.875 0.03 . 2 . . . . 137 K HE2 . 17251 1 1546 . 1 1 137 137 LYS HG2 H 1 1.359 0.03 . 2 . . . . 137 K HG1 . 17251 1 1547 . 1 1 137 137 LYS C C 13 173.362 0.4 . 1 . . . . 137 K C . 17251 1 1548 . 1 1 137 137 LYS CA C 13 54.715 0.4 . 1 . . . . 137 K CA . 17251 1 1549 . 1 1 137 137 LYS CB C 13 34.255 0.4 . 1 . . . . 137 K CB . 17251 1 1550 . 1 1 137 137 LYS CD C 13 29.430 0.4 . 1 . . . . 137 K CD . 17251 1 1551 . 1 1 137 137 LYS CE C 13 42.160 0.4 . 1 . . . . 137 K CE . 17251 1 1552 . 1 1 137 137 LYS CG C 13 25.285 0.4 . 1 . . . . 137 K CG . 17251 1 1553 . 1 1 137 137 LYS N N 15 127.997 0.4 . 1 . . . . 137 K N . 17251 1 1554 . 1 1 138 138 GLY H H 1 8.635 0.03 . 1 . . . . 138 G HN . 17251 1 1555 . 1 1 138 138 GLY HA2 H 1 3.443 0.03 . 2 . . . . 138 G HA1 . 17251 1 1556 . 1 1 138 138 GLY HA3 H 1 3.801 0.03 . 2 . . . . 138 G HA2 . 17251 1 1557 . 1 1 138 138 GLY C C 13 173.278 0.4 . 1 . . . . 138 G C . 17251 1 1558 . 1 1 138 138 GLY CA C 13 46.638 0.4 . 1 . . . . 138 G CA . 17251 1 1559 . 1 1 138 138 GLY N N 15 114.561 0.4 . 1 . . . . 138 G N . 17251 1 1560 . 1 1 139 139 SER HA H 1 4.317 0.03 . 1 . . . . 139 S HA . 17251 1 1561 . 1 1 139 139 SER HB2 H 1 3.904 0.03 . 2 . . . . 139 S HB1 . 17251 1 1562 . 1 1 139 139 SER HB3 H 1 3.975 0.03 . 2 . . . . 139 S HB2 . 17251 1 1563 . 1 1 139 139 SER CA C 13 60.073 0.4 . 1 . . . . 139 S CA . 17251 1 1564 . 1 1 139 139 SER CB C 13 62.913 0.4 . 1 . . . . 139 S CB . 17251 1 1565 . 1 1 141 141 LEU H H 1 5.863 0.03 . 1 . . . . 141 L HN . 17251 1 1566 . 1 1 141 141 LEU HA H 1 3.994 0.03 . 1 . . . . 141 L HA . 17251 1 1567 . 1 1 141 141 LEU HB2 H 1 0.212 0.03 . 2 . . . . 141 L HB1 . 17251 1 1568 . 1 1 141 141 LEU HB3 H 1 -0.279 0.03 . 2 . . . . 141 L HB2 . 17251 1 1569 . 1 1 141 141 LEU HD11 H 1 0.512 0.03 . 2 . . . . 141 L HD11 . 17251 1 1570 . 1 1 141 141 LEU HD12 H 1 0.512 0.03 . 2 . . . . 141 L HD11 . 17251 1 1571 . 1 1 141 141 LEU HD13 H 1 0.512 0.03 . 2 . . . . 141 L HD11 . 17251 1 1572 . 1 1 141 141 LEU HD21 H 1 0.231 0.03 . 2 . . . . 141 L HD21 . 17251 1 1573 . 1 1 141 141 LEU HD22 H 1 0.231 0.03 . 2 . . . . 141 L HD21 . 17251 1 1574 . 1 1 141 141 LEU HD23 H 1 0.231 0.03 . 2 . . . . 141 L HD21 . 17251 1 1575 . 1 1 141 141 LEU C C 13 176.605 0.4 . 1 . . . . 141 L C . 17251 1 1576 . 1 1 141 141 LEU CA C 13 54.232 0.4 . 1 . . . . 141 L CA . 17251 1 1577 . 1 1 141 141 LEU CB C 13 40.226 0.4 . 1 . . . . 141 L CB . 17251 1 1578 . 1 1 141 141 LEU CD1 C 13 22.186 0.4 . 1 . . . . 141 L CD1 . 17251 1 1579 . 1 1 141 141 LEU CD2 C 13 25.285 0.4 . 1 . . . . 141 L CD2 . 17251 1 1580 . 1 1 141 141 LEU N N 15 119.471 0.4 . 1 . . . . 141 L N . 17251 1 1581 . 1 1 142 142 ASN H H 1 7.371 0.03 . 1 . . . . 142 N HN . 17251 1 1582 . 1 1 142 142 ASN HA H 1 4.488 0.03 . 1 . . . . 142 N HA . 17251 1 1583 . 1 1 142 142 ASN HB2 H 1 2.936 0.03 . 2 . . . . 142 N HB1 . 17251 1 1584 . 1 1 142 142 ASN HB3 H 1 2.854 0.03 . 2 . . . . 142 N HB2 . 17251 1 1585 . 1 1 142 142 ASN HD21 H 1 6.626 0.03 . 2 . . . . 142 N HD21 . 17251 1 1586 . 1 1 142 142 ASN HD22 H 1 7.652 0.03 . 2 . . . . 142 N HD22 . 17251 1 1587 . 1 1 142 142 ASN C C 13 177.459 0.4 . 1 . . . . 142 N C . 17251 1 1588 . 1 1 142 142 ASN CA C 13 54.819 0.4 . 1 . . . . 142 N CA . 17251 1 1589 . 1 1 142 142 ASN CB C 13 37.220 0.4 . 1 . . . . 142 N CB . 17251 1 1590 . 1 1 142 142 ASN N N 15 121.098 0.4 . 1 . . . . 142 N N . 17251 1 1591 . 1 1 142 142 ASN ND2 N 15 109.605 0.4 . 1 . . . . 142 N ND2 . 17251 1 1592 . 1 1 143 143 GLY H H 1 9.763 0.03 . 1 . . . . 143 G HN . 17251 1 1593 . 1 1 143 143 GLY HA2 H 1 4.200 0.03 . 2 . . . . 143 G HA1 . 17251 1 1594 . 1 1 143 143 GLY HA3 H 1 4.030 0.03 . 2 . . . . 143 G HA2 . 17251 1 1595 . 1 1 143 143 GLY C C 13 175.073 0.4 . 1 . . . . 143 G C . 17251 1 1596 . 1 1 143 143 GLY CA C 13 46.638 0.4 . 1 . . . . 143 G CA . 17251 1 1597 . 1 1 143 143 GLY N N 15 113.901 0.4 . 1 . . . . 143 G N . 17251 1 1598 . 1 1 144 144 SER H H 1 7.828 0.03 . 1 . . . . 144 S HN . 17251 1 1599 . 1 1 144 144 SER HA H 1 5.037 0.03 . 1 . . . . 144 S HA . 17251 1 1600 . 1 1 144 144 SER HB2 H 1 3.798 0.03 . 2 . . . . 144 S HB1 . 17251 1 1601 . 1 1 144 144 SER C C 13 174.319 0.4 . 1 . . . . 144 S C . 17251 1 1602 . 1 1 144 144 SER CA C 13 57.225 0.4 . 1 . . . . 144 S CA . 17251 1 1603 . 1 1 144 144 SER CB C 13 65.197 0.4 . 1 . . . . 144 S CB . 17251 1 1604 . 1 1 144 144 SER N N 15 115.206 0.4 . 1 . . . . 144 S N . 17251 1 1605 . 1 1 145 145 CYS H H 1 8.114 0.03 . 1 . . . . 145 C HN . 17251 1 1606 . 1 1 145 145 CYS HA H 1 5.220 0.03 . 1 . . . . 145 C HA . 17251 1 1607 . 1 1 145 145 CYS HB2 H 1 2.756 0.03 . 2 . . . . 145 C HB1 . 17251 1 1608 . 1 1 145 145 CYS HB3 H 1 3.269 0.03 . 2 . . . . 145 C HB2 . 17251 1 1609 . 1 1 145 145 CYS C C 13 176.270 0.4 . 1 . . . . 145 C C . 17251 1 1610 . 1 1 145 145 CYS CA C 13 61.104 0.4 . 1 . . . . 145 C CA . 17251 1 1611 . 1 1 145 145 CYS CB C 13 28.129 0.4 . 1 . . . . 145 C CB . 17251 1 1612 . 1 1 145 145 CYS N N 15 122.077 0.4 . 1 . . . . 145 C N . 17251 1 1613 . 1 1 146 146 GLY H H 1 8.790 0.03 . 1 . . . . 146 G HN . 17251 1 1614 . 1 1 146 146 GLY HA2 H 1 3.616 0.03 . 2 . . . . 146 G HA2 . 17251 1 1615 . 1 1 146 146 GLY C C 13 172.593 0.4 . 1 . . . . 146 G C . 17251 1 1616 . 1 1 146 146 GLY CA C 13 45.489 0.4 . 1 . . . . 146 G CA . 17251 1 1617 . 1 1 146 146 GLY N N 15 119.600 0.4 . 1 . . . . 146 G N . 17251 1 1618 . 1 1 147 147 SER H H 1 8.282 0.03 . 1 . . . . 147 S HN . 17251 1 1619 . 1 1 147 147 SER HA H 1 4.662 0.03 . 1 . . . . 147 S HA . 17251 1 1620 . 1 1 147 147 SER HB2 H 1 3.718 0.03 . 2 . . . . 147 S HB1 . 17251 1 1621 . 1 1 147 147 SER HB3 H 1 4.288 0.03 . 2 . . . . 147 S HB2 . 17251 1 1622 . 1 1 147 147 SER HG H 1 5.755 0.03 . 1 . . . . 147 S HG . 17251 1 1623 . 1 1 147 147 SER C C 13 177.344 0.4 . 1 . . . . 147 S C . 17251 1 1624 . 1 1 147 147 SER CA C 13 61.995 0.4 . 1 . . . . 147 S CA . 17251 1 1625 . 1 1 147 147 SER CB C 13 63.800 0.4 . 1 . . . . 147 S CB . 17251 1 1626 . 1 1 147 147 SER N N 15 115.345 0.4 . 1 . . . . 147 S N . 17251 1 1627 . 1 1 148 148 VAL H H 1 8.996 0.03 . 1 . . . . 148 V HN . 17251 1 1628 . 1 1 148 148 VAL HA H 1 5.571 0.03 . 1 . . . . 148 V HA . 17251 1 1629 . 1 1 148 148 VAL HB H 1 2.672 0.03 . 1 . . . . 148 V HB . 17251 1 1630 . 1 1 148 148 VAL HG11 H 1 1.176 0.03 . 2 . . . . 148 V HG11 . 17251 1 1631 . 1 1 148 148 VAL HG12 H 1 1.176 0.03 . 2 . . . . 148 V HG11 . 17251 1 1632 . 1 1 148 148 VAL HG13 H 1 1.176 0.03 . 2 . . . . 148 V HG11 . 17251 1 1633 . 1 1 148 148 VAL HG21 H 1 1.304 0.03 . 2 . . . . 148 V HG21 . 17251 1 1634 . 1 1 148 148 VAL HG22 H 1 1.304 0.03 . 2 . . . . 148 V HG21 . 17251 1 1635 . 1 1 148 148 VAL HG23 H 1 1.304 0.03 . 2 . . . . 148 V HG21 . 17251 1 1636 . 1 1 148 148 VAL C C 13 174.934 0.4 . 1 . . . . 148 V C . 17251 1 1637 . 1 1 148 148 VAL CA C 13 59.632 0.4 . 1 . . . . 148 V CA . 17251 1 1638 . 1 1 148 148 VAL CB C 13 36.005 0.4 . 1 . . . . 148 V CB . 17251 1 1639 . 1 1 148 148 VAL CG1 C 13 23.104 0.4 . 1 . . . . 148 V CG1 . 17251 1 1640 . 1 1 148 148 VAL CG2 C 13 19.954 0.4 . 1 . . . . 148 V CG2 . 17251 1 1641 . 1 1 148 148 VAL N N 15 115.391 0.4 . 1 . . . . 148 V N . 17251 1 1642 . 1 1 149 149 GLY H H 1 9.549 0.03 . 1 . . . . 149 G HN . 17251 1 1643 . 1 1 149 149 GLY HA2 H 1 6.303 0.03 . 2 . . . . 149 G HA1 . 17251 1 1644 . 1 1 149 149 GLY HA3 H 1 3.620 0.03 . 2 . . . . 149 G HA2 . 17251 1 1645 . 1 1 149 149 GLY C C 13 174.898 0.4 . 1 . . . . 149 G C . 17251 1 1646 . 1 1 149 149 GLY CA C 13 44.486 0.4 . 1 . . . . 149 G CA . 17251 1 1647 . 1 1 149 149 GLY N N 15 107.063 0.4 . 1 . . . . 149 G N . 17251 1 1648 . 1 1 150 150 PHE H H 1 9.424 0.03 . 1 . . . . 150 F HN . 17251 1 1649 . 1 1 150 150 PHE HA H 1 5.801 0.03 . 1 . . . . 150 F HA . 17251 1 1650 . 1 1 150 150 PHE HB2 H 1 2.478 0.03 . 2 . . . . 150 F HB1 . 17251 1 1651 . 1 1 150 150 PHE HB3 H 1 3.053 0.03 . 2 . . . . 150 F HB2 . 17251 1 1652 . 1 1 150 150 PHE HD1 H 1 6.794 0.03 . 3 . . . . 150 F HD1 . 17251 1 1653 . 1 1 150 150 PHE HE1 H 1 7.238 0.03 . 3 . . . . 150 F HE1 . 17251 1 1654 . 1 1 150 150 PHE HZ H 1 7.086 0.03 . 1 . . . . 150 F HZ . 17251 1 1655 . 1 1 150 150 PHE C C 13 173.050 0.4 . 1 . . . . 150 F C . 17251 1 1656 . 1 1 150 150 PHE CA C 13 56.700 0.4 . 1 . . . . 150 F CA . 17251 1 1657 . 1 1 150 150 PHE CB C 13 41.988 0.4 . 1 . . . . 150 F CB . 17251 1 1658 . 1 1 150 150 PHE CD1 C 13 132.982 0.4 . 3 . . . . 150 F CD1 . 17251 1 1659 . 1 1 150 150 PHE CE1 C 13 131.121 0.4 . 3 . . . . 150 F CE1 . 17251 1 1660 . 1 1 150 150 PHE CZ C 13 128.914 0.4 . 1 . . . . 150 F CZ . 17251 1 1661 . 1 1 150 150 PHE N N 15 120.038 0.4 . 1 . . . . 150 F N . 17251 1 1662 . 1 1 151 151 ASN H H 1 8.473 0.03 . 1 . . . . 151 N HN . 17251 1 1663 . 1 1 151 151 ASN HA H 1 5.117 0.03 . 1 . . . . 151 N HA . 17251 1 1664 . 1 1 151 151 ASN HB2 H 1 2.753 0.03 . 2 . . . . 151 N HB1 . 17251 1 1665 . 1 1 151 151 ASN HB3 H 1 2.590 0.03 . 2 . . . . 151 N HB2 . 17251 1 1666 . 1 1 151 151 ASN HD21 H 1 7.912 0.03 . 2 . . . . 151 N HD21 . 17251 1 1667 . 1 1 151 151 ASN HD22 H 1 7.476 0.03 . 2 . . . . 151 N HD22 . 17251 1 1668 . 1 1 151 151 ASN C C 13 173.771 0.4 . 1 . . . . 151 N C . 17251 1 1669 . 1 1 151 151 ASN CA C 13 53.200 0.4 . 1 . . . . 151 N CA . 17251 1 1670 . 1 1 151 151 ASN CB C 13 43.725 0.4 . 1 . . . . 151 N CB . 17251 1 1671 . 1 1 151 151 ASN N N 15 116.748 0.4 . 1 . . . . 151 N N . 17251 1 1672 . 1 1 151 151 ASN ND2 N 15 113.868 0.4 . 1 . . . . 151 N ND2 . 17251 1 1673 . 1 1 152 152 ILE H H 1 8.927 0.03 . 1 . . . . 152 I HN . 17251 1 1674 . 1 1 152 152 ILE HA H 1 4.628 0.03 . 1 . . . . 152 I HA . 17251 1 1675 . 1 1 152 152 ILE HB H 1 1.847 0.03 . 1 . . . . 152 I HB . 17251 1 1676 . 1 1 152 152 ILE HD11 H 1 0.799 0.03 . 1 . . . . 152 I HD11 . 17251 1 1677 . 1 1 152 152 ILE HD12 H 1 0.799 0.03 . 1 . . . . 152 I HD11 . 17251 1 1678 . 1 1 152 152 ILE HD13 H 1 0.799 0.03 . 1 . . . . 152 I HD11 . 17251 1 1679 . 1 1 152 152 ILE HG12 H 1 1.085 0.03 . 1 . . . . 152 I HG11 . 17251 1 1680 . 1 1 152 152 ILE HG13 H 1 1.650 0.03 . 1 . . . . 152 I HG12 . 17251 1 1681 . 1 1 152 152 ILE HG21 H 1 0.758 0.03 . 1 . . . . 152 I HG21 . 17251 1 1682 . 1 1 152 152 ILE HG22 H 1 0.758 0.03 . 1 . . . . 152 I HG21 . 17251 1 1683 . 1 1 152 152 ILE HG23 H 1 0.758 0.03 . 1 . . . . 152 I HG21 . 17251 1 1684 . 1 1 152 152 ILE C C 13 174.827 0.4 . 1 . . . . 152 I C . 17251 1 1685 . 1 1 152 152 ILE CA C 13 60.855 0.4 . 1 . . . . 152 I CA . 17251 1 1686 . 1 1 152 152 ILE CB C 13 38.743 0.4 . 1 . . . . 152 I CB . 17251 1 1687 . 1 1 152 152 ILE CD1 C 13 13.057 0.4 . 1 . . . . 152 I CD1 . 17251 1 1688 . 1 1 152 152 ILE CG1 C 13 27.876 0.4 . 1 . . . . 152 I CG1 . 17251 1 1689 . 1 1 152 152 ILE CG2 C 13 17.375 0.4 . 1 . . . . 152 I CG2 . 17251 1 1690 . 1 1 152 152 ILE N N 15 122.172 0.4 . 1 . . . . 152 I N . 17251 1 1691 . 1 1 153 153 ASP H H 1 8.376 0.03 . 1 . . . . 153 D HN . 17251 1 1692 . 1 1 153 153 ASP HA H 1 4.846 0.03 . 1 . . . . 153 D HA . 17251 1 1693 . 1 1 153 153 ASP HB2 H 1 2.540 0.03 . 2 . . . . 153 D HB1 . 17251 1 1694 . 1 1 153 153 ASP HB3 H 1 2.654 0.03 . 2 . . . . 153 D HB2 . 17251 1 1695 . 1 1 153 153 ASP C C 13 175.743 0.4 . 1 . . . . 153 D C . 17251 1 1696 . 1 1 153 153 ASP CA C 13 52.992 0.4 . 1 . . . . 153 D CA . 17251 1 1697 . 1 1 153 153 ASP CB C 13 42.705 0.4 . 1 . . . . 153 D CB . 17251 1 1698 . 1 1 153 153 ASP N N 15 129.046 0.4 . 1 . . . . 153 D N . 17251 1 1699 . 1 1 154 154 TYR H H 1 8.780 0.03 . 1 . . . . 154 Y HN . 17251 1 1700 . 1 1 154 154 TYR HA H 1 3.990 0.03 . 1 . . . . 154 Y HA . 17251 1 1701 . 1 1 154 154 TYR HB2 H 1 3.143 0.03 . 2 . . . . 154 Y HB1 . 17251 1 1702 . 1 1 154 154 TYR HD1 H 1 7.119 0.03 . 3 . . . . 154 Y HD1 . 17251 1 1703 . 1 1 154 154 TYR HE1 H 1 6.856 0.03 . 3 . . . . 154 Y HE1 . 17251 1 1704 . 1 1 154 154 TYR C C 13 174.439 0.4 . 1 . . . . 154 Y C . 17251 1 1705 . 1 1 154 154 TYR CA C 13 60.735 0.4 . 1 . . . . 154 Y CA . 17251 1 1706 . 1 1 154 154 TYR CB C 13 36.218 0.4 . 1 . . . . 154 Y CB . 17251 1 1707 . 1 1 154 154 TYR CD1 C 13 133.289 0.4 . 3 . . . . 154 Y CD1 . 17251 1 1708 . 1 1 154 154 TYR N N 15 122.586 0.4 . 1 . . . . 154 Y N . 17251 1 1709 . 1 1 155 155 ASP H H 1 8.422 0.03 . 1 . . . . 155 D HN . 17251 1 1710 . 1 1 155 155 ASP HA H 1 4.396 0.03 . 1 . . . . 155 D HA . 17251 1 1711 . 1 1 155 155 ASP HB2 H 1 2.708 0.03 . 2 . . . . 155 D HB1 . 17251 1 1712 . 1 1 155 155 ASP HB3 H 1 2.443 0.03 . 2 . . . . 155 D HB2 . 17251 1 1713 . 1 1 155 155 ASP C C 13 174.439 0.4 . 1 . . . . 155 D C . 17251 1 1714 . 1 1 155 155 ASP CA C 13 53.944 0.4 . 1 . . . . 155 D CA . 17251 1 1715 . 1 1 155 155 ASP CB C 13 41.029 0.4 . 1 . . . . 155 D CB . 17251 1 1716 . 1 1 155 155 ASP N N 15 120.156 0.4 . 1 . . . . 155 D N . 17251 1 1717 . 1 1 156 156 CYS H H 1 7.917 0.03 . 1 . . . . 156 C HN . 17251 1 1718 . 1 1 156 156 CYS HA H 1 4.603 0.03 . 1 . . . . 156 C HA . 17251 1 1719 . 1 1 156 156 CYS HB2 H 1 2.996 0.03 . 2 . . . . 156 C HB1 . 17251 1 1720 . 1 1 156 156 CYS HB3 H 1 2.542 0.03 . 2 . . . . 156 C HB2 . 17251 1 1721 . 1 1 156 156 CYS C C 13 173.824 0.4 . 1 . . . . 156 C C . 17251 1 1722 . 1 1 156 156 CYS CA C 13 57.377 0.4 . 1 . . . . 156 C CA . 17251 1 1723 . 1 1 156 156 CYS CB C 13 29.223 0.4 . 1 . . . . 156 C CB . 17251 1 1724 . 1 1 156 156 CYS N N 15 119.189 0.4 . 1 . . . . 156 C N . 17251 1 1725 . 1 1 157 157 VAL H H 1 9.047 0.03 . 1 . . . . 157 V HN . 17251 1 1726 . 1 1 157 157 VAL HA H 1 4.080 0.03 . 1 . . . . 157 V HA . 17251 1 1727 . 1 1 157 157 VAL HB H 1 1.754 0.03 . 1 . . . . 157 V HB . 17251 1 1728 . 1 1 157 157 VAL HG11 H 1 -0.197 0.03 . 2 . . . . 157 V HG11 . 17251 1 1729 . 1 1 157 157 VAL HG12 H 1 -0.197 0.03 . 2 . . . . 157 V HG11 . 17251 1 1730 . 1 1 157 157 VAL HG13 H 1 -0.197 0.03 . 2 . . . . 157 V HG11 . 17251 1 1731 . 1 1 157 157 VAL HG21 H 1 0.627 0.03 . 2 . . . . 157 V HG21 . 17251 1 1732 . 1 1 157 157 VAL HG22 H 1 0.627 0.03 . 2 . . . . 157 V HG21 . 17251 1 1733 . 1 1 157 157 VAL HG23 H 1 0.627 0.03 . 2 . . . . 157 V HG21 . 17251 1 1734 . 1 1 157 157 VAL C C 13 174.763 0.4 . 1 . . . . 157 V C . 17251 1 1735 . 1 1 157 157 VAL CA C 13 62.200 0.4 . 1 . . . . 157 V CA . 17251 1 1736 . 1 1 157 157 VAL CB C 13 32.361 0.4 . 1 . . . . 157 V CB . 17251 1 1737 . 1 1 157 157 VAL CG1 C 13 21.121 0.4 . 1 . . . . 157 V CG1 . 17251 1 1738 . 1 1 157 157 VAL CG2 C 13 21.121 0.4 . 1 . . . . 157 V CG2 . 17251 1 1739 . 1 1 157 157 VAL N N 15 130.386 0.4 . 1 . . . . 157 V N . 17251 1 1740 . 1 1 158 158 SER H H 1 9.083 0.03 . 1 . . . . 158 S HN . 17251 1 1741 . 1 1 158 158 SER HA H 1 5.164 0.03 . 1 . . . . 158 S HA . 17251 1 1742 . 1 1 158 158 SER HB2 H 1 3.640 0.03 . 2 . . . . 158 S HB1 . 17251 1 1743 . 1 1 158 158 SER HB3 H 1 3.815 0.03 . 2 . . . . 158 S HB2 . 17251 1 1744 . 1 1 158 158 SER C C 13 174.000 0.4 . 1 . . . . 158 S C . 17251 1 1745 . 1 1 158 158 SER CA C 13 56.218 0.4 . 1 . . . . 158 S CA . 17251 1 1746 . 1 1 158 158 SER CB C 13 63.100 0.4 . 1 . . . . 158 S CB . 17251 1 1747 . 1 1 158 158 SER N N 15 125.300 0.4 . 1 . . . . 158 S N . 17251 1 1748 . 1 1 159 159 PHE H H 1 9.249 0.03 . 1 . . . . 159 F HN . 17251 1 1749 . 1 1 159 159 PHE HA H 1 5.045 0.03 . 1 . . . . 159 F HA . 17251 1 1750 . 1 1 159 159 PHE HB2 H 1 3.338 0.03 . 2 . . . . 159 F HB1 . 17251 1 1751 . 1 1 159 159 PHE HB3 H 1 3.103 0.03 . 2 . . . . 159 F HB2 . 17251 1 1752 . 1 1 159 159 PHE HD1 H 1 7.394 0.03 . 3 . . . . 159 F HD1 . 17251 1 1753 . 1 1 159 159 PHE HE1 H 1 7.154 0.03 . 3 . . . . 159 F HE1 . 17251 1 1754 . 1 1 159 159 PHE HZ H 1 6.959 0.03 . 1 . . . . 159 F HZ . 17251 1 1755 . 1 1 159 159 PHE C C 13 176.100 0.4 . 1 . . . . 159 F C . 17251 1 1756 . 1 1 159 159 PHE CA C 13 59.976 0.4 . 1 . . . . 159 F CA . 17251 1 1757 . 1 1 159 159 PHE CB C 13 40.895 0.4 . 1 . . . . 159 F CB . 17251 1 1758 . 1 1 159 159 PHE CE1 C 13 129.521 0.4 . 3 . . . . 159 F CE1 . 17251 1 1759 . 1 1 159 159 PHE CZ C 13 129.521 0.4 . 1 . . . . 159 F CZ . 17251 1 1760 . 1 1 159 159 PHE N N 15 126.000 0.4 . 1 . . . . 159 F N . 17251 1 1761 . 1 1 160 160 CYS H H 1 9.080 0.03 . 1 . . . . 160 C HN . 17251 1 1762 . 1 1 160 160 CYS HA H 1 5.995 0.03 . 1 . . . . 160 C HA . 17251 1 1763 . 1 1 160 160 CYS HB2 H 1 3.006 0.03 . 2 . . . . 160 C HB1 . 17251 1 1764 . 1 1 160 160 CYS HB3 H 1 2.555 0.03 . 2 . . . . 160 C HB2 . 17251 1 1765 . 1 1 160 160 CYS C C 13 173.338 0.4 . 1 . . . . 160 C C . 17251 1 1766 . 1 1 160 160 CYS CA C 13 55.087 0.4 . 1 . . . . 160 C CA . 17251 1 1767 . 1 1 160 160 CYS CB C 13 33.694 0.4 . 1 . . . . 160 C CB . 17251 1 1768 . 1 1 160 160 CYS N N 15 117.423 0.4 . 1 . . . . 160 C N . 17251 1 1769 . 1 1 161 161 TYR H H 1 7.701 0.03 . 1 . . . . 161 Y HN . 17251 1 1770 . 1 1 161 161 TYR HA H 1 5.549 0.03 . 1 . . . . 161 Y HA . 17251 1 1771 . 1 1 161 161 TYR HB2 H 1 2.477 0.03 . 2 . . . . 161 Y HB1 . 17251 1 1772 . 1 1 161 161 TYR HB3 H 1 2.124 0.03 . 2 . . . . 161 Y HB2 . 17251 1 1773 . 1 1 161 161 TYR HD1 H 1 6.767 0.03 . 3 . . . . 161 Y HD1 . 17251 1 1774 . 1 1 161 161 TYR HE2 H 1 6.573 0.03 . 3 . . . . 161 Y HE2 . 17251 1 1775 . 1 1 161 161 TYR C C 13 172.399 0.4 . 1 . . . . 161 Y C . 17251 1 1776 . 1 1 161 161 TYR CA C 13 58.363 0.4 . 1 . . . . 161 Y CA . 17251 1 1777 . 1 1 161 161 TYR CB C 13 44.710 0.4 . 1 . . . . 161 Y CB . 17251 1 1778 . 1 1 161 161 TYR N N 15 126.807 0.4 . 1 . . . . 161 Y N . 17251 1 1779 . 1 1 162 162 MET H H 1 8.582 0.03 . 1 . . . . 162 M HN . 17251 1 1780 . 1 1 162 162 MET HA H 1 4.865 0.03 . 1 . . . . 162 M HA . 17251 1 1781 . 1 1 162 162 MET HB2 H 1 1.449 0.03 . 2 . . . . 162 M HB1 . 17251 1 1782 . 1 1 162 162 MET HB3 H 1 1.700 0.03 . 2 . . . . 162 M HB2 . 17251 1 1783 . 1 1 162 162 MET HE1 H 1 1.893 0.03 . 1 . . . . 162 M HE1 . 17251 1 1784 . 1 1 162 162 MET HE2 H 1 1.893 0.03 . 1 . . . . 162 M HE1 . 17251 1 1785 . 1 1 162 162 MET HE3 H 1 1.893 0.03 . 1 . . . . 162 M HE1 . 17251 1 1786 . 1 1 162 162 MET HG2 H 1 2.182 0.03 . 2 . . . . 162 M HG1 . 17251 1 1787 . 1 1 162 162 MET CA C 13 54.770 0.4 . 1 . . . . 162 M CA . 17251 1 1788 . 1 1 162 162 MET CB C 13 37.016 0.4 . 1 . . . . 162 M CB . 17251 1 1789 . 1 1 162 162 MET CE C 13 16.753 0.4 . 1 . . . . 162 M CE . 17251 1 1790 . 1 1 162 162 MET CG C 13 31.014 0.4 . 1 . . . . 162 M CG . 17251 1 1791 . 1 1 162 162 MET N N 15 128.214 0.4 . 1 . . . . 162 M N . 17251 1 1792 . 1 1 163 163 HIS H H 1 9.204 0.03 . 1 . . . . 163 H HN . 17251 1 1793 . 1 1 163 163 HIS HA H 1 4.228 0.03 . 1 . . . . 163 H HA . 17251 1 1794 . 1 1 163 163 HIS HB2 H 1 3.017 0.03 . 2 . . . . 163 H HB1 . 17251 1 1795 . 1 1 163 163 HIS HB3 H 1 3.231 0.03 . 2 . . . . 163 H HB2 . 17251 1 1796 . 1 1 163 163 HIS HD2 H 1 6.599 0.03 . 1 . . . . 163 H HD2 . 17251 1 1797 . 1 1 163 163 HIS HE1 H 1 7.051 0.03 . 1 . . . . 163 H HE1 . 17251 1 1798 . 1 1 163 163 HIS CA C 13 58.618 0.4 . 1 . . . . 163 H CA . 17251 1 1799 . 1 1 163 163 HIS CB C 13 33.416 0.4 . 1 . . . . 163 H CB . 17251 1 1800 . 1 1 163 163 HIS N N 15 130.147 0.4 . 1 . . . . 163 H N . 17251 1 1801 . 1 1 164 164 HIS H H 1 8.582 0.03 . 1 . . . . 164 H HN . 17251 1 1802 . 1 1 164 164 HIS HA H 1 4.931 0.03 . 1 . . . . 164 H HA . 17251 1 1803 . 1 1 164 164 HIS HB2 H 1 3.166 0.03 . 2 . . . . 164 H HB1 . 17251 1 1804 . 1 1 164 164 HIS HB3 H 1 3.103 0.03 . 2 . . . . 164 H HB2 . 17251 1 1805 . 1 1 164 164 HIS HD2 H 1 6.889 0.03 . 1 . . . . 164 H HD2 . 17251 1 1806 . 1 1 164 164 HIS C C 13 174.930 0.4 . 1 . . . . 164 H C . 17251 1 1807 . 1 1 164 164 HIS CA C 13 59.360 0.4 . 1 . . . . 164 H CA . 17251 1 1808 . 1 1 164 164 HIS CB C 13 37.120 0.4 . 1 . . . . 164 H CB . 17251 1 1809 . 1 1 164 164 HIS N N 15 124.408 0.4 . 1 . . . . 164 H N . 17251 1 1810 . 1 1 165 165 MET H H 1 8.151 0.03 . 1 . . . . 165 M HN . 17251 1 1811 . 1 1 165 165 MET HA H 1 5.020 0.03 . 1 . . . . 165 M HA . 17251 1 1812 . 1 1 165 165 MET HB2 H 1 2.081 0.03 . 2 . . . . 165 M HB1 . 17251 1 1813 . 1 1 165 165 MET HB3 H 1 1.953 0.03 . 2 . . . . 165 M HB2 . 17251 1 1814 . 1 1 165 165 MET HE1 H 1 1.919 0.03 . 1 . . . . 165 M HE1 . 17251 1 1815 . 1 1 165 165 MET HE2 H 1 1.919 0.03 . 1 . . . . 165 M HE1 . 17251 1 1816 . 1 1 165 165 MET HE3 H 1 1.919 0.03 . 1 . . . . 165 M HE1 . 17251 1 1817 . 1 1 165 165 MET HG2 H 1 2.558 0.03 . 2 . . . . 165 M HG1 . 17251 1 1818 . 1 1 165 165 MET HG3 H 1 2.446 0.03 . 2 . . . . 165 M HG2 . 17251 1 1819 . 1 1 165 165 MET C C 13 173.365 0.4 . 1 . . . . 165 M C . 17251 1 1820 . 1 1 165 165 MET CA C 13 54.702 0.4 . 1 . . . . 165 M CA . 17251 1 1821 . 1 1 165 165 MET CB C 13 35.738 0.4 . 1 . . . . 165 M CB . 17251 1 1822 . 1 1 165 165 MET CE C 13 17.191 0.4 . 1 . . . . 165 M CE . 17251 1 1823 . 1 1 165 165 MET CG C 13 31.292 0.4 . 1 . . . . 165 M CG . 17251 1 1824 . 1 1 165 165 MET N N 15 114.543 0.4 . 1 . . . . 165 M N . 17251 1 1825 . 1 1 166 166 GLU H H 1 8.765 0.03 . 1 . . . . 166 E HN . 17251 1 1826 . 1 1 166 166 GLU HA H 1 4.912 0.03 . 1 . . . . 166 E HA . 17251 1 1827 . 1 1 166 166 GLU HB2 H 1 2.118 0.03 . 2 . . . . 166 E HB1 . 17251 1 1828 . 1 1 166 166 GLU HB3 H 1 2.204 0.03 . 2 . . . . 166 E HB2 . 17251 1 1829 . 1 1 166 166 GLU HG2 H 1 2.136 0.03 . 2 . . . . 166 E HG1 . 17251 1 1830 . 1 1 166 166 GLU HG3 H 1 2.455 0.03 . 2 . . . . 166 E HG2 . 17251 1 1831 . 1 1 166 166 GLU C C 13 175.900 0.4 . 1 . . . . 166 E C . 17251 1 1832 . 1 1 166 166 GLU CA C 13 55.464 0.4 . 1 . . . . 166 E CA . 17251 1 1833 . 1 1 166 166 GLU CB C 13 30.956 0.4 . 1 . . . . 166 E CB . 17251 1 1834 . 1 1 166 166 GLU CG C 13 36.200 0.4 . 1 . . . . 166 E CG . 17251 1 1835 . 1 1 166 166 GLU N N 15 125.649 0.4 . 1 . . . . 166 E N . 17251 1 1836 . 1 1 167 167 LEU H H 1 8.888 0.03 . 1 . . . . 167 L HN . 17251 1 1837 . 1 1 167 167 LEU HA H 1 4.682 0.03 . 1 . . . . 167 L HA . 17251 1 1838 . 1 1 167 167 LEU HB2 H 1 1.584 0.03 . 2 . . . . 167 L HB1 . 17251 1 1839 . 1 1 167 167 LEU HB3 H 1 1.542 0.03 . 2 . . . . 167 L HB2 . 17251 1 1840 . 1 1 167 167 LEU HD11 H 1 0.796 0.03 . 2 . . . . 167 L HD11 . 17251 1 1841 . 1 1 167 167 LEU HD12 H 1 0.796 0.03 . 2 . . . . 167 L HD11 . 17251 1 1842 . 1 1 167 167 LEU HD13 H 1 0.796 0.03 . 2 . . . . 167 L HD11 . 17251 1 1843 . 1 1 167 167 LEU HD21 H 1 0.505 0.03 . 2 . . . . 167 L HD21 . 17251 1 1844 . 1 1 167 167 LEU HD22 H 1 0.505 0.03 . 2 . . . . 167 L HD21 . 17251 1 1845 . 1 1 167 167 LEU HD23 H 1 0.505 0.03 . 2 . . . . 167 L HD21 . 17251 1 1846 . 1 1 167 167 LEU HG H 1 1.486 0.03 . 1 . . . . 167 L HG . 17251 1 1847 . 1 1 167 167 LEU C C 13 176.300 0.4 . 1 . . . . 167 L C . 17251 1 1848 . 1 1 167 167 LEU CA C 13 53.464 0.4 . 1 . . . . 167 L CA . 17251 1 1849 . 1 1 167 167 LEU CB C 13 40.533 0.4 . 1 . . . . 167 L CB . 17251 1 1850 . 1 1 167 167 LEU CD1 C 13 23.034 0.4 . 1 . . . . 167 L CD1 . 17251 1 1851 . 1 1 167 167 LEU CD2 C 13 25.645 0.4 . 1 . . . . 167 L CD2 . 17251 1 1852 . 1 1 167 167 LEU CG C 13 27.777 0.4 . 1 . . . . 167 L CG . 17251 1 1853 . 1 1 167 167 LEU N N 15 127.726 0.4 . 1 . . . . 167 L N . 17251 1 1854 . 1 1 168 168 PRO HA H 1 4.453 0.03 . 1 . . . . 168 P HA . 17251 1 1855 . 1 1 168 168 PRO HB2 H 1 1.958 0.03 . 2 . . . . 168 P HB1 . 17251 1 1856 . 1 1 168 168 PRO HB3 H 1 2.460 0.03 . 2 . . . . 168 P HB2 . 17251 1 1857 . 1 1 168 168 PRO HD2 H 1 3.888 0.03 . 2 . . . . 168 P HD1 . 17251 1 1858 . 1 1 168 168 PRO HD3 H 1 3.742 0.03 . 2 . . . . 168 P HD2 . 17251 1 1859 . 1 1 168 168 PRO HG2 H 1 2.124 0.03 . 2 . . . . 168 P HG2 . 17251 1 1860 . 1 1 168 168 PRO C C 13 179.694 0.4 . 1 . . . . 168 P C . 17251 1 1861 . 1 1 168 168 PRO CA C 13 64.664 0.4 . 1 . . . . 168 P CA . 17251 1 1862 . 1 1 168 168 PRO CB C 13 32.124 0.4 . 1 . . . . 168 P CB . 17251 1 1863 . 1 1 168 168 PRO CD C 13 50.684 0.4 . 1 . . . . 168 P CD . 17251 1 1864 . 1 1 168 168 PRO CG C 13 27.897 0.4 . 1 . . . . 168 P CG . 17251 1 1865 . 1 1 169 169 THR H H 1 6.984 0.03 . 1 . . . . 169 T HN . 17251 1 1866 . 1 1 169 169 THR HA H 1 4.184 0.03 . 1 . . . . 169 T HA . 17251 1 1867 . 1 1 169 169 THR HB H 1 4.488 0.03 . 1 . . . . 169 T HB . 17251 1 1868 . 1 1 169 169 THR HG21 H 1 1.220 0.03 . 1 . . . . 169 T HG21 . 17251 1 1869 . 1 1 169 169 THR HG22 H 1 1.220 0.03 . 1 . . . . 169 T HG21 . 17251 1 1870 . 1 1 169 169 THR HG23 H 1 1.220 0.03 . 1 . . . . 169 T HG21 . 17251 1 1871 . 1 1 169 169 THR C C 13 175.540 0.4 . 1 . . . . 169 T C . 17251 1 1872 . 1 1 169 169 THR CA C 13 62.112 0.4 . 1 . . . . 169 T CA . 17251 1 1873 . 1 1 169 169 THR CB C 13 68.754 0.4 . 1 . . . . 169 T CB . 17251 1 1874 . 1 1 169 169 THR CG2 C 13 22.595 0.4 . 1 . . . . 169 T CG2 . 17251 1 1875 . 1 1 169 169 THR N N 15 122.090 0.4 . 1 . . . . 169 T N . 17251 1 1876 . 1 1 170 170 GLY H H 1 8.296 0.03 . 1 . . . . 170 G HN . 17251 1 1877 . 1 1 170 170 GLY HA2 H 1 3.857 0.03 . 2 . . . . 170 G HA1 . 17251 1 1878 . 1 1 170 170 GLY HA3 H 1 4.058 0.03 . 2 . . . . 170 G HA2 . 17251 1 1879 . 1 1 170 170 GLY C C 13 173.866 0.4 . 1 . . . . 170 G C . 17251 1 1880 . 1 1 170 170 GLY CA C 13 46.230 0.4 . 1 . . . . 170 G CA . 17251 1 1881 . 1 1 170 170 GLY N N 15 110.186 0.4 . 1 . . . . 170 G N . 17251 1 1882 . 1 1 171 171 VAL H H 1 6.401 0.03 . 1 . . . . 171 V HN . 17251 1 1883 . 1 1 171 171 VAL HA H 1 4.628 0.03 . 1 . . . . 171 V HA . 17251 1 1884 . 1 1 171 171 VAL HB H 1 1.945 0.03 . 1 . . . . 171 V HB . 17251 1 1885 . 1 1 171 171 VAL HG11 H 1 0.833 0.03 . 2 . . . . 171 V HG11 . 17251 1 1886 . 1 1 171 171 VAL HG12 H 1 0.833 0.03 . 2 . . . . 171 V HG11 . 17251 1 1887 . 1 1 171 171 VAL HG13 H 1 0.833 0.03 . 2 . . . . 171 V HG11 . 17251 1 1888 . 1 1 171 171 VAL HG21 H 1 0.741 0.03 . 2 . . . . 171 V HG21 . 17251 1 1889 . 1 1 171 171 VAL HG22 H 1 0.741 0.03 . 2 . . . . 171 V HG21 . 17251 1 1890 . 1 1 171 171 VAL HG23 H 1 0.741 0.03 . 2 . . . . 171 V HG21 . 17251 1 1891 . 1 1 171 171 VAL C C 13 173.856 0.4 . 1 . . . . 171 V C . 17251 1 1892 . 1 1 171 171 VAL CA C 13 59.730 0.4 . 1 . . . . 171 V CA . 17251 1 1893 . 1 1 171 171 VAL CB C 13 34.287 0.4 . 1 . . . . 171 V CB . 17251 1 1894 . 1 1 171 171 VAL CG1 C 13 21.928 0.4 . 1 . . . . 171 V CG1 . 17251 1 1895 . 1 1 171 171 VAL CG2 C 13 19.100 0.4 . 1 . . . . 171 V CG2 . 17251 1 1896 . 1 1 171 171 VAL N N 15 112.404 0.4 . 1 . . . . 171 V N . 17251 1 1897 . 1 1 172 172 HIS H H 1 8.647 0.03 . 1 . . . . 172 H HN . 17251 1 1898 . 1 1 172 172 HIS HA H 1 5.462 0.03 . 1 . . . . 172 H HA . 17251 1 1899 . 1 1 172 172 HIS HB2 H 1 3.153 0.03 . 2 . . . . 172 H HB1 . 17251 1 1900 . 1 1 172 172 HIS HB3 H 1 2.800 0.03 . 2 . . . . 172 H HB2 . 17251 1 1901 . 1 1 172 172 HIS HD2 H 1 6.775 0.03 . 1 . . . . 172 H HD2 . 17251 1 1902 . 1 1 172 172 HIS HE1 H 1 7.531 0.03 . 1 . . . . 172 H HE1 . 17251 1 1903 . 1 1 172 172 HIS CA C 13 57.070 0.4 . 1 . . . . 172 H CA . 17251 1 1904 . 1 1 172 172 HIS CB C 13 35.693 0.4 . 1 . . . . 172 H CB . 17251 1 1905 . 1 1 172 172 HIS N N 15 119.379 0.4 . 1 . . . . 172 H N . 17251 1 1906 . 1 1 173 173 ALA H H 1 9.410 0.03 . 1 . . . . 173 A HN . 17251 1 1907 . 1 1 173 173 ALA HA H 1 5.403 0.03 . 1 . . . . 173 A HA . 17251 1 1908 . 1 1 173 173 ALA HB1 H 1 1.129 0.03 . 1 . . . . 173 A HB1 . 17251 1 1909 . 1 1 173 173 ALA HB2 H 1 1.129 0.03 . 1 . . . . 173 A HB1 . 17251 1 1910 . 1 1 173 173 ALA HB3 H 1 1.129 0.03 . 1 . . . . 173 A HB1 . 17251 1 1911 . 1 1 173 173 ALA C C 13 177.287 0.4 . 1 . . . . 173 A C . 17251 1 1912 . 1 1 173 173 ALA CA C 13 50.457 0.4 . 1 . . . . 173 A CA . 17251 1 1913 . 1 1 173 173 ALA CB C 13 23.429 0.4 . 1 . . . . 173 A CB . 17251 1 1914 . 1 1 173 173 ALA N N 15 125.789 0.4 . 1 . . . . 173 A N . 17251 1 1915 . 1 1 174 174 GLY H H 1 9.804 0.03 . 1 . . . . 174 G HN . 17251 1 1916 . 1 1 174 174 GLY HA2 H 1 4.382 0.03 . 2 . . . . 174 G HA1 . 17251 1 1917 . 1 1 174 174 GLY HA3 H 1 4.190 0.03 . 2 . . . . 174 G HA2 . 17251 1 1918 . 1 1 174 174 GLY C C 13 170.554 0.4 . 1 . . . . 174 G C . 17251 1 1919 . 1 1 174 174 GLY CA C 13 46.300 0.4 . 1 . . . . 174 G CA . 17251 1 1920 . 1 1 174 174 GLY N N 15 110.900 0.4 . 1 . . . . 174 G N . 17251 1 1921 . 1 1 175 175 THR H H 1 8.035 0.03 . 1 . . . . 175 T HN . 17251 1 1922 . 1 1 175 175 THR HA H 1 4.600 0.03 . 1 . . . . 175 T HA . 17251 1 1923 . 1 1 175 175 THR HB H 1 3.451 0.03 . 1 . . . . 175 T HB . 17251 1 1924 . 1 1 175 175 THR HG21 H 1 -0.873 0.03 . 1 . . . . 175 T HG21 . 17251 1 1925 . 1 1 175 175 THR HG22 H 1 -0.873 0.03 . 1 . . . . 175 T HG21 . 17251 1 1926 . 1 1 175 175 THR HG23 H 1 -0.873 0.03 . 1 . . . . 175 T HG21 . 17251 1 1927 . 1 1 175 175 THR C C 13 174.230 0.4 . 1 . . . . 175 T C . 17251 1 1928 . 1 1 175 175 THR CA C 13 59.196 0.4 . 1 . . . . 175 T CA . 17251 1 1929 . 1 1 175 175 THR CB C 13 73.209 0.4 . 1 . . . . 175 T CB . 17251 1 1930 . 1 1 175 175 THR CG2 C 13 16.762 0.4 . 1 . . . . 175 T CG2 . 17251 1 1931 . 1 1 175 175 THR N N 15 106.354 0.4 . 1 . . . . 175 T N . 17251 1 1932 . 1 1 176 176 ASP H H 1 7.239 0.03 . 1 . . . . 176 D HN . 17251 1 1933 . 1 1 176 176 ASP HA H 1 4.554 0.03 . 1 . . . . 176 D HA . 17251 1 1934 . 1 1 176 176 ASP HB2 H 1 3.456 0.03 . 2 . . . . 176 D HB1 . 17251 1 1935 . 1 1 176 176 ASP HB3 H 1 2.371 0.03 . 2 . . . . 176 D HB2 . 17251 1 1936 . 1 1 176 176 ASP C C 13 178.519 0.4 . 1 . . . . 176 D C . 17251 1 1937 . 1 1 176 176 ASP CA C 13 53.218 0.4 . 1 . . . . 176 D CA . 17251 1 1938 . 1 1 176 176 ASP CB C 13 40.488 0.4 . 1 . . . . 176 D CB . 17251 1 1939 . 1 1 176 176 ASP N N 15 117.980 0.4 . 1 . . . . 176 D N . 17251 1 1940 . 1 1 177 177 LEU H H 1 9.178 0.03 . 1 . . . . 177 L HN . 17251 1 1941 . 1 1 177 177 LEU HA H 1 3.834 0.03 . 1 . . . . 177 L HA . 17251 1 1942 . 1 1 177 177 LEU HB2 H 1 0.095 0.03 . 2 . . . . 177 L HB1 . 17251 1 1943 . 1 1 177 177 LEU HB3 H 1 0.745 0.03 . 2 . . . . 177 L HB2 . 17251 1 1944 . 1 1 177 177 LEU HD11 H 1 0.034 0.03 . 2 . . . . 177 L HD11 . 17251 1 1945 . 1 1 177 177 LEU HD12 H 1 0.034 0.03 . 2 . . . . 177 L HD11 . 17251 1 1946 . 1 1 177 177 LEU HD13 H 1 0.034 0.03 . 2 . . . . 177 L HD11 . 17251 1 1947 . 1 1 177 177 LEU HD21 H 1 0.406 0.03 . 2 . . . . 177 L HD21 . 17251 1 1948 . 1 1 177 177 LEU HD22 H 1 0.406 0.03 . 2 . . . . 177 L HD21 . 17251 1 1949 . 1 1 177 177 LEU HD23 H 1 0.406 0.03 . 2 . . . . 177 L HD21 . 17251 1 1950 . 1 1 177 177 LEU HG H 1 0.962 0.03 . 1 . . . . 177 L HG . 17251 1 1951 . 1 1 177 177 LEU C C 13 175.876 0.4 . 1 . . . . 177 L C . 17251 1 1952 . 1 1 177 177 LEU CA C 13 52.712 0.4 . 1 . . . . 177 L CA . 17251 1 1953 . 1 1 177 177 LEU CB C 13 36.070 0.4 . 1 . . . . 177 L CB . 17251 1 1954 . 1 1 177 177 LEU CD1 C 13 21.534 0.4 . 1 . . . . 177 L CD1 . 17251 1 1955 . 1 1 177 177 LEU CD2 C 13 23.333 0.4 . 1 . . . . 177 L CD2 . 17251 1 1956 . 1 1 177 177 LEU CG C 13 28.333 0.4 . 1 . . . . 177 L CG . 17251 1 1957 . 1 1 177 177 LEU N N 15 124.559 0.4 . 1 . . . . 177 L N . 17251 1 1958 . 1 1 178 178 GLU H H 1 7.630 0.03 . 1 . . . . 178 E HN . 17251 1 1959 . 1 1 178 178 GLU HA H 1 4.156 0.03 . 1 . . . . 178 E HA . 17251 1 1960 . 1 1 178 178 GLU HB2 H 1 2.081 0.03 . 2 . . . . 178 E HB1 . 17251 1 1961 . 1 1 178 178 GLU HB3 H 1 1.856 0.03 . 2 . . . . 178 E HB2 . 17251 1 1962 . 1 1 178 178 GLU HG2 H 1 2.114 0.03 . 2 . . . . 178 E HG1 . 17251 1 1963 . 1 1 178 178 GLU HG3 H 1 2.183 0.03 . 2 . . . . 178 E HG2 . 17251 1 1964 . 1 1 178 178 GLU C C 13 177.168 0.4 . 1 . . . . 178 E C . 17251 1 1965 . 1 1 178 178 GLU CA C 13 56.000 0.4 . 1 . . . . 178 E CA . 17251 1 1966 . 1 1 178 178 GLU CB C 13 30.032 0.4 . 1 . . . . 178 E CB . 17251 1 1967 . 1 1 178 178 GLU CG C 13 36.980 0.4 . 1 . . . . 178 E CG . 17251 1 1968 . 1 1 178 178 GLU N N 15 114.398 0.4 . 1 . . . . 178 E N . 17251 1 1969 . 1 1 179 179 GLY H H 1 7.593 0.03 . 1 . . . . 179 G HN . 17251 1 1970 . 1 1 179 179 GLY HA2 H 1 4.203 0.03 . 2 . . . . 179 G HA1 . 17251 1 1971 . 1 1 179 179 GLY HA3 H 1 3.217 0.03 . 2 . . . . 179 G HA2 . 17251 1 1972 . 1 1 179 179 GLY C C 13 173.250 0.4 . 1 . . . . 179 G C . 17251 1 1973 . 1 1 179 179 GLY CA C 13 46.500 0.4 . 1 . . . . 179 G CA . 17251 1 1974 . 1 1 179 179 GLY N N 15 107.400 0.4 . 1 . . . . 179 G N . 17251 1 1975 . 1 1 180 180 LYS H H 1 8.276 0.03 . 1 . . . . 180 K HN . 17251 1 1976 . 1 1 180 180 LYS HA H 1 4.514 0.03 . 1 . . . . 180 K HA . 17251 1 1977 . 1 1 180 180 LYS HB2 H 1 1.600 0.03 . 2 . . . . 180 K HB1 . 17251 1 1978 . 1 1 180 180 LYS HB3 H 1 1.719 0.03 . 2 . . . . 180 K HB2 . 17251 1 1979 . 1 1 180 180 LYS HD2 H 1 1.589 0.03 . 2 . . . . 180 K HD2 . 17251 1 1980 . 1 1 180 180 LYS HE2 H 1 2.892 0.03 . 2 . . . . 180 K HE1 . 17251 1 1981 . 1 1 180 180 LYS HG2 H 1 1.276 0.03 . 2 . . . . 180 K HG1 . 17251 1 1982 . 1 1 180 180 LYS HG3 H 1 1.181 0.03 . 2 . . . . 180 K HG2 . 17251 1 1983 . 1 1 180 180 LYS C C 13 173.250 0.4 . 1 . . . . 180 K C . 17251 1 1984 . 1 1 180 180 LYS CA C 13 54.700 0.4 . 1 . . . . 180 K CA . 17251 1 1985 . 1 1 180 180 LYS CB C 13 32.066 0.4 . 1 . . . . 180 K CB . 17251 1 1986 . 1 1 180 180 LYS CD C 13 29.407 0.4 . 1 . . . . 180 K CD . 17251 1 1987 . 1 1 180 180 LYS CE C 13 42.169 0.4 . 1 . . . . 180 K CE . 17251 1 1988 . 1 1 180 180 LYS CG C 13 24.976 0.4 . 1 . . . . 180 K CG . 17251 1 1989 . 1 1 180 180 LYS N N 15 122.503 0.4 . 1 . . . . 180 K N . 17251 1 1990 . 1 1 181 181 PHE H H 1 9.303 0.03 . 1 . . . . 181 F HN . 17251 1 1991 . 1 1 181 181 PHE HA H 1 3.821 0.03 . 1 . . . . 181 F HA . 17251 1 1992 . 1 1 181 181 PHE HB2 H 1 2.969 0.03 . 2 . . . . 181 F HB1 . 17251 1 1993 . 1 1 181 181 PHE HB3 H 1 2.911 0.03 . 2 . . . . 181 F HB2 . 17251 1 1994 . 1 1 181 181 PHE HD1 H 1 7.355 0.03 . 3 . . . . 181 F HD1 . 17251 1 1995 . 1 1 181 181 PHE HE1 H 1 6.749 0.03 . 3 . . . . 181 F HE1 . 17251 1 1996 . 1 1 181 181 PHE C C 13 178.551 0.4 . 1 . . . . 181 F C . 17251 1 1997 . 1 1 181 181 PHE CA C 13 61.157 0.4 . 1 . . . . 181 F CA . 17251 1 1998 . 1 1 181 181 PHE CB C 13 39.075 0.4 . 1 . . . . 181 F CB . 17251 1 1999 . 1 1 181 181 PHE CD1 C 13 133.098 0.4 . 3 . . . . 181 F CD1 . 17251 1 2000 . 1 1 181 181 PHE N N 15 127.184 0.4 . 1 . . . . 181 F N . 17251 1 2001 . 1 1 182 182 TYR H H 1 8.828 0.03 . 1 . . . . 182 Y HN . 17251 1 2002 . 1 1 182 182 TYR HA H 1 4.531 0.03 . 1 . . . . 182 Y HA . 17251 1 2003 . 1 1 182 182 TYR HB2 H 1 3.341 0.03 . 2 . . . . 182 Y HB1 . 17251 1 2004 . 1 1 182 182 TYR HB3 H 1 3.491 0.03 . 2 . . . . 182 Y HB2 . 17251 1 2005 . 1 1 182 182 TYR HD1 H 1 7.123 0.03 . 3 . . . . 182 Y HD1 . 17251 1 2006 . 1 1 182 182 TYR HE1 H 1 7.284 0.03 . 3 . . . . 182 Y HE1 . 17251 1 2007 . 1 1 182 182 TYR C C 13 176.026 0.4 . 1 . . . . 182 Y C . 17251 1 2008 . 1 1 182 182 TYR CA C 13 59.481 0.4 . 1 . . . . 182 Y CA . 17251 1 2009 . 1 1 182 182 TYR CB C 13 38.433 0.4 . 1 . . . . 182 Y CB . 17251 1 2010 . 1 1 182 182 TYR N N 15 122.974 0.4 . 1 . . . . 182 Y N . 17251 1 2011 . 1 1 183 183 GLY H H 1 8.292 0.03 . 1 . . . . 183 G HN . 17251 1 2012 . 1 1 183 183 GLY HA2 H 1 3.379 0.03 . 2 . . . . 183 G HA1 . 17251 1 2013 . 1 1 183 183 GLY HA3 H 1 4.216 0.03 . 2 . . . . 183 G HA2 . 17251 1 2014 . 1 1 183 183 GLY C C 13 172.376 0.4 . 1 . . . . 183 G C . 17251 1 2015 . 1 1 183 183 GLY CA C 13 44.976 0.4 . 1 . . . . 183 G CA . 17251 1 2016 . 1 1 183 183 GLY N N 15 112.426 0.4 . 1 . . . . 183 G N . 17251 1 2017 . 1 1 184 184 PRO HA H 1 4.477 0.03 . 1 . . . . 184 P HA . 17251 1 2018 . 1 1 184 184 PRO HB2 H 1 1.722 0.03 . 2 . . . . 184 P HB1 . 17251 1 2019 . 1 1 184 184 PRO HB3 H 1 2.008 0.03 . 2 . . . . 184 P HB2 . 17251 1 2020 . 1 1 184 184 PRO HD2 H 1 3.006 0.03 . 2 . . . . 184 P HD1 . 17251 1 2021 . 1 1 184 184 PRO HD3 H 1 3.270 0.03 . 2 . . . . 184 P HD2 . 17251 1 2022 . 1 1 184 184 PRO HG2 H 1 1.040 0.03 . 2 . . . . 184 P HG1 . 17251 1 2023 . 1 1 184 184 PRO HG3 H 1 1.806 0.03 . 2 . . . . 184 P HG2 . 17251 1 2024 . 1 1 184 184 PRO C C 13 175.544 0.4 . 1 . . . . 184 P C . 17251 1 2025 . 1 1 184 184 PRO CA C 13 63.300 0.4 . 1 . . . . 184 P CA . 17251 1 2026 . 1 1 184 184 PRO CB C 13 29.973 0.4 . 1 . . . . 184 P CB . 17251 1 2027 . 1 1 184 184 PRO CD C 13 49.430 0.4 . 1 . . . . 184 P CD . 17251 1 2028 . 1 1 184 184 PRO CG C 13 26.373 0.4 . 1 . . . . 184 P CG . 17251 1 2029 . 1 1 185 185 PHE H H 1 6.776 0.03 . 1 . . . . 185 F HN . 17251 1 2030 . 1 1 185 185 PHE HA H 1 4.344 0.03 . 1 . . . . 185 F HA . 17251 1 2031 . 1 1 185 185 PHE HB2 H 1 2.739 0.03 . 2 . . . . 185 F HB1 . 17251 1 2032 . 1 1 185 185 PHE HB3 H 1 2.119 0.03 . 2 . . . . 185 F HB2 . 17251 1 2033 . 1 1 185 185 PHE HD1 H 1 7.486 0.03 . 3 . . . . 185 F HD1 . 17251 1 2034 . 1 1 185 185 PHE HE1 H 1 7.486 0.03 . 3 . . . . 185 F HE1 . 17251 1 2035 . 1 1 185 185 PHE HZ H 1 7.374 0.03 . 1 . . . . 185 F HZ . 17251 1 2036 . 1 1 185 185 PHE C C 13 172.947 0.4 . 1 . . . . 185 F C . 17251 1 2037 . 1 1 185 185 PHE CA C 13 57.800 0.4 . 1 . . . . 185 F CA . 17251 1 2038 . 1 1 185 185 PHE CB C 13 40.991 0.4 . 1 . . . . 185 F CB . 17251 1 2039 . 1 1 185 185 PHE CD1 C 13 131.976 0.4 . 3 . . . . 185 F CD1 . 17251 1 2040 . 1 1 185 185 PHE N N 15 120.802 0.4 . 1 . . . . 185 F N . 17251 1 2041 . 1 1 186 186 VAL H H 1 7.685 0.03 . 1 . . . . 186 V HN . 17251 1 2042 . 1 1 186 186 VAL HA H 1 3.934 0.03 . 1 . . . . 186 V HA . 17251 1 2043 . 1 1 186 186 VAL HB H 1 2.001 0.03 . 1 . . . . 186 V HB . 17251 1 2044 . 1 1 186 186 VAL HG11 H 1 0.802 0.03 . 2 . . . . 186 V HG11 . 17251 1 2045 . 1 1 186 186 VAL HG12 H 1 0.802 0.03 . 2 . . . . 186 V HG11 . 17251 1 2046 . 1 1 186 186 VAL HG13 H 1 0.802 0.03 . 2 . . . . 186 V HG11 . 17251 1 2047 . 1 1 186 186 VAL HG21 H 1 0.794 0.03 . 2 . . . . 186 V HG21 . 17251 1 2048 . 1 1 186 186 VAL HG22 H 1 0.794 0.03 . 2 . . . . 186 V HG21 . 17251 1 2049 . 1 1 186 186 VAL HG23 H 1 0.794 0.03 . 2 . . . . 186 V HG21 . 17251 1 2050 . 1 1 186 186 VAL CA C 13 59.724 0.4 . 1 . . . . 186 V CA . 17251 1 2051 . 1 1 186 186 VAL CB C 13 35.151 0.4 . 1 . . . . 186 V CB . 17251 1 2052 . 1 1 186 186 VAL CG1 C 13 19.500 0.4 . 1 . . . . 186 V CG1 . 17251 1 2053 . 1 1 186 186 VAL CG2 C 13 21.900 0.4 . 1 . . . . 186 V CG2 . 17251 1 2054 . 1 1 186 186 VAL N N 15 112.923 0.4 . 1 . . . . 186 V N . 17251 1 2055 . 1 1 187 187 ASP H H 1 8.491 0.03 . 1 . . . . 187 D HN . 17251 1 2056 . 1 1 187 187 ASP HA H 1 4.894 0.03 . 1 . . . . 187 D HA . 17251 1 2057 . 1 1 187 187 ASP HB2 H 1 3.026 0.03 . 2 . . . . 187 D HB1 . 17251 1 2058 . 1 1 187 187 ASP HB3 H 1 2.744 0.03 . 2 . . . . 187 D HB2 . 17251 1 2059 . 1 1 187 187 ASP C C 13 174.655 0.4 . 1 . . . . 187 D C . 17251 1 2060 . 1 1 187 187 ASP CA C 13 52.205 0.4 . 1 . . . . 187 D CA . 17251 1 2061 . 1 1 187 187 ASP CB C 13 37.982 0.4 . 1 . . . . 187 D CB . 17251 1 2062 . 1 1 187 187 ASP N N 15 121.161 0.4 . 1 . . . . 187 D N . 17251 1 2063 . 1 1 188 188 ARG H H 1 7.808 0.03 . 1 . . . . 188 R HN . 17251 1 2064 . 1 1 188 188 ARG HA H 1 4.594 0.03 . 1 . . . . 188 R HA . 17251 1 2065 . 1 1 188 188 ARG HB2 H 1 1.925 0.03 . 2 . . . . 188 R HB1 . 17251 1 2066 . 1 1 188 188 ARG HB3 H 1 1.820 0.03 . 2 . . . . 188 R HB2 . 17251 1 2067 . 1 1 188 188 ARG HD2 H 1 3.238 0.03 . 2 . . . . 188 R HD1 . 17251 1 2068 . 1 1 188 188 ARG HG2 H 1 1.525 0.03 . 2 . . . . 188 R HG1 . 17251 1 2069 . 1 1 188 188 ARG C C 13 174.934 0.4 . 1 . . . . 188 R C . 17251 1 2070 . 1 1 188 188 ARG CA C 13 55.447 0.4 . 1 . . . . 188 R CA . 17251 1 2071 . 1 1 188 188 ARG CB C 13 32.650 0.4 . 1 . . . . 188 R CB . 17251 1 2072 . 1 1 188 188 ARG CD C 13 43.843 0.4 . 1 . . . . 188 R CD . 17251 1 2073 . 1 1 188 188 ARG CG C 13 26.454 0.4 . 1 . . . . 188 R CG . 17251 1 2074 . 1 1 188 188 ARG N N 15 118.245 0.4 . 1 . . . . 188 R N . 17251 1 2075 . 1 1 189 189 GLN H H 1 8.459 0.03 . 1 . . . . 189 Q HN . 17251 1 2076 . 1 1 189 189 GLN HA H 1 4.379 0.03 . 1 . . . . 189 Q HA . 17251 1 2077 . 1 1 189 189 GLN HB2 H 1 2.064 0.03 . 2 . . . . 189 Q HB1 . 17251 1 2078 . 1 1 189 189 GLN HB3 H 1 1.908 0.03 . 2 . . . . 189 Q HB2 . 17251 1 2079 . 1 1 189 189 GLN HE21 H 1 6.799 0.03 . 2 . . . . 189 Q HE21 . 17251 1 2080 . 1 1 189 189 GLN HE22 H 1 7.447 0.03 . 2 . . . . 189 Q HE22 . 17251 1 2081 . 1 1 189 189 GLN HG2 H 1 2.337 0.03 . 2 . . . . 189 Q HG1 . 17251 1 2082 . 1 1 189 189 GLN C C 13 175.776 0.4 . 1 . . . . 189 Q C . 17251 1 2083 . 1 1 189 189 GLN CA C 13 56.656 0.4 . 1 . . . . 189 Q CA . 17251 1 2084 . 1 1 189 189 GLN CB C 13 29.249 0.4 . 1 . . . . 189 Q CB . 17251 1 2085 . 1 1 189 189 GLN CG C 13 33.852 0.4 . 1 . . . . 189 Q CG . 17251 1 2086 . 1 1 189 189 GLN N N 15 121.596 0.4 . 1 . . . . 189 Q N . 17251 1 2087 . 1 1 189 189 GLN NE2 N 15 112.010 0.4 . 1 . . . . 189 Q NE2 . 17251 1 2088 . 1 1 190 190 THR H H 1 8.060 0.03 . 1 . . . . 190 T HN . 17251 1 2089 . 1 1 190 190 THR HA H 1 4.372 0.03 . 1 . . . . 190 T HA . 17251 1 2090 . 1 1 190 190 THR HB H 1 4.213 0.03 . 1 . . . . 190 T HB . 17251 1 2091 . 1 1 190 190 THR HG21 H 1 1.198 0.03 . 1 . . . . 190 T HG21 . 17251 1 2092 . 1 1 190 190 THR HG22 H 1 1.198 0.03 . 1 . . . . 190 T HG21 . 17251 1 2093 . 1 1 190 190 THR HG23 H 1 1.198 0.03 . 1 . . . . 190 T HG21 . 17251 1 2094 . 1 1 190 190 THR C C 13 174.213 0.4 . 1 . . . . 190 T C . 17251 1 2095 . 1 1 190 190 THR CA C 13 61.900 0.4 . 1 . . . . 190 T CA . 17251 1 2096 . 1 1 190 190 THR CB C 13 70.232 0.4 . 1 . . . . 190 T CB . 17251 1 2097 . 1 1 190 190 THR CG2 C 13 21.527 0.4 . 1 . . . . 190 T CG2 . 17251 1 2098 . 1 1 190 190 THR N N 15 116.156 0.4 . 1 . . . . 190 T N . 17251 1 2099 . 1 1 191 191 ALA H H 1 8.300 0.03 . 1 . . . . 191 A HN . 17251 1 2100 . 1 1 191 191 ALA HA H 1 4.345 0.03 . 1 . . . . 191 A HA . 17251 1 2101 . 1 1 191 191 ALA HB1 H 1 1.411 0.03 . 1 . . . . 191 A HB1 . 17251 1 2102 . 1 1 191 191 ALA HB2 H 1 1.411 0.03 . 1 . . . . 191 A HB1 . 17251 1 2103 . 1 1 191 191 ALA HB3 H 1 1.411 0.03 . 1 . . . . 191 A HB1 . 17251 1 2104 . 1 1 191 191 ALA C C 13 177.427 0.4 . 1 . . . . 191 A C . 17251 1 2105 . 1 1 191 191 ALA CA C 13 52.975 0.4 . 1 . . . . 191 A CA . 17251 1 2106 . 1 1 191 191 ALA CB C 13 19.226 0.4 . 1 . . . . 191 A CB . 17251 1 2107 . 1 1 191 191 ALA N N 15 126.313 0.4 . 1 . . . . 191 A N . 17251 1 2108 . 1 1 192 192 GLN H H 1 8.223 0.03 . 1 . . . . 192 Q HN . 17251 1 2109 . 1 1 192 192 GLN HA H 1 4.333 0.03 . 1 . . . . 192 Q HA . 17251 1 2110 . 1 1 192 192 GLN HB2 H 1 2.103 0.03 . 2 . . . . 192 Q HB1 . 17251 1 2111 . 1 1 192 192 GLN HB3 H 1 1.984 0.03 . 2 . . . . 192 Q HB2 . 17251 1 2112 . 1 1 192 192 GLN HE21 H 1 7.497 0.03 . 2 . . . . 192 Q HE21 . 17251 1 2113 . 1 1 192 192 GLN HE22 H 1 6.921 0.03 . 2 . . . . 192 Q HE22 . 17251 1 2114 . 1 1 192 192 GLN HG2 H 1 2.389 0.03 . 2 . . . . 192 Q HG1 . 17251 1 2115 . 1 1 192 192 GLN HG3 H 1 2.183 0.03 . 2 . . . . 192 Q HG2 . 17251 1 2116 . 1 1 192 192 GLN C C 13 175.704 0.4 . 1 . . . . 192 Q C . 17251 1 2117 . 1 1 192 192 GLN CA C 13 55.914 0.4 . 1 . . . . 192 Q CA . 17251 1 2118 . 1 1 192 192 GLN CB C 13 29.780 0.4 . 1 . . . . 192 Q CB . 17251 1 2119 . 1 1 192 192 GLN CG C 13 33.894 0.4 . 1 . . . . 192 Q CG . 17251 1 2120 . 1 1 192 192 GLN N N 15 119.922 0.4 . 1 . . . . 192 Q N . 17251 1 2121 . 1 1 192 192 GLN NE2 N 15 112.774 0.4 . 1 . . . . 192 Q NE2 . 17251 1 2122 . 1 1 193 193 ALA H H 1 8.310 0.03 . 1 . . . . 193 A HN . 17251 1 2123 . 1 1 193 193 ALA HA H 1 4.304 0.03 . 1 . . . . 193 A HA . 17251 1 2124 . 1 1 193 193 ALA HB1 H 1 1.379 0.03 . 1 . . . . 193 A HB1 . 17251 1 2125 . 1 1 193 193 ALA HB2 H 1 1.379 0.03 . 1 . . . . 193 A HB1 . 17251 1 2126 . 1 1 193 193 ALA HB3 H 1 1.379 0.03 . 1 . . . . 193 A HB1 . 17251 1 2127 . 1 1 193 193 ALA C C 13 177.431 0.4 . 1 . . . . 193 A C . 17251 1 2128 . 1 1 193 193 ALA CA C 13 52.634 0.4 . 1 . . . . 193 A CA . 17251 1 2129 . 1 1 193 193 ALA CB C 13 19.278 0.4 . 1 . . . . 193 A CB . 17251 1 2130 . 1 1 193 193 ALA N N 15 126.200 0.4 . 1 . . . . 193 A N . 17251 1 2131 . 1 1 194 194 ALA H H 1 8.252 0.03 . 1 . . . . 194 A HN . 17251 1 2132 . 1 1 194 194 ALA HA H 1 4.347 0.03 . 1 . . . . 194 A HA . 17251 1 2133 . 1 1 194 194 ALA HB1 H 1 1.412 0.03 . 1 . . . . 194 A HB1 . 17251 1 2134 . 1 1 194 194 ALA HB2 H 1 1.412 0.03 . 1 . . . . 194 A HB1 . 17251 1 2135 . 1 1 194 194 ALA HB3 H 1 1.412 0.03 . 1 . . . . 194 A HB1 . 17251 1 2136 . 1 1 194 194 ALA C C 13 177.410 0.4 . 1 . . . . 194 A C . 17251 1 2137 . 1 1 194 194 ALA CA C 13 52.850 0.4 . 1 . . . . 194 A CA . 17251 1 2138 . 1 1 194 194 ALA CB C 13 19.300 0.4 . 1 . . . . 194 A CB . 17251 1 2139 . 1 1 194 194 ALA N N 15 124.160 0.4 . 1 . . . . 194 A N . 17251 1 2140 . 1 1 195 195 GLY H H 1 8.349 0.03 . 1 . . . . 195 G HN . 17251 1 2141 . 1 1 195 195 GLY HA2 H 1 4.015 0.03 . 2 . . . . 195 G HA1 . 17251 1 2142 . 1 1 195 195 GLY C C 13 174.481 0.4 . 1 . . . . 195 G C . 17251 1 2143 . 1 1 195 195 GLY CA C 13 45.449 0.4 . 1 . . . . 195 G CA . 17251 1 2144 . 1 1 195 195 GLY N N 15 108.705 0.4 . 1 . . . . 195 G N . 17251 1 2145 . 1 1 196 196 THR H H 1 8.000 0.03 . 1 . . . . 196 T HN . 17251 1 2146 . 1 1 196 196 THR HA H 1 4.378 0.03 . 1 . . . . 196 T HA . 17251 1 2147 . 1 1 196 196 THR HB H 1 4.301 0.03 . 1 . . . . 196 T HB . 17251 1 2148 . 1 1 196 196 THR HG21 H 1 1.193 0.03 . 1 . . . . 196 T HG21 . 17251 1 2149 . 1 1 196 196 THR HG22 H 1 1.193 0.03 . 1 . . . . 196 T HG21 . 17251 1 2150 . 1 1 196 196 THR HG23 H 1 1.193 0.03 . 1 . . . . 196 T HG21 . 17251 1 2151 . 1 1 196 196 THR C C 13 174.416 0.4 . 1 . . . . 196 T C . 17251 1 2152 . 1 1 196 196 THR CA C 13 62.015 0.4 . 1 . . . . 196 T CA . 17251 1 2153 . 1 1 196 196 THR CB C 13 69.963 0.4 . 1 . . . . 196 T CB . 17251 1 2154 . 1 1 196 196 THR CG2 C 13 21.505 0.4 . 1 . . . . 196 T CG2 . 17251 1 2155 . 1 1 196 196 THR N N 15 113.431 0.4 . 1 . . . . 196 T N . 17251 1 2156 . 1 1 197 197 ASP H H 1 8.458 0.03 . 1 . . . . 197 D HN . 17251 1 2157 . 1 1 197 197 ASP HA H 1 4.708 0.03 . 1 . . . . 197 D HA . 17251 1 2158 . 1 1 197 197 ASP HB2 H 1 2.745 0.03 . 2 . . . . 197 D HB1 . 17251 1 2159 . 1 1 197 197 ASP HB3 H 1 2.658 0.03 . 2 . . . . 197 D HB2 . 17251 1 2160 . 1 1 197 197 ASP C C 13 176.391 0.4 . 1 . . . . 197 D C . 17251 1 2161 . 1 1 197 197 ASP CA C 13 54.715 0.4 . 1 . . . . 197 D CA . 17251 1 2162 . 1 1 197 197 ASP CB C 13 41.174 0.4 . 1 . . . . 197 D CB . 17251 1 2163 . 1 1 197 197 ASP N N 15 123.290 0.4 . 1 . . . . 197 D N . 17251 1 2164 . 1 1 198 198 THR H H 1 8.104 0.03 . 1 . . . . 198 T HN . 17251 1 2165 . 1 1 198 198 THR HA H 1 4.419 0.03 . 1 . . . . 198 T HA . 17251 1 2166 . 1 1 198 198 THR HB H 1 4.306 0.03 . 1 . . . . 198 T HB . 17251 1 2167 . 1 1 198 198 THR HG21 H 1 1.193 0.03 . 1 . . . . 198 T HG21 . 17251 1 2168 . 1 1 198 198 THR HG22 H 1 1.193 0.03 . 1 . . . . 198 T HG21 . 17251 1 2169 . 1 1 198 198 THR HG23 H 1 1.193 0.03 . 1 . . . . 198 T HG21 . 17251 1 2170 . 1 1 198 198 THR C C 13 174.157 0.4 . 1 . . . . 198 T C . 17251 1 2171 . 1 1 198 198 THR CA C 13 61.732 0.4 . 1 . . . . 198 T CA . 17251 1 2172 . 1 1 198 198 THR CB C 13 69.970 0.4 . 1 . . . . 198 T CB . 17251 1 2173 . 1 1 198 198 THR CG2 C 13 21.352 0.4 . 1 . . . . 198 T CG2 . 17251 1 2174 . 1 1 198 198 THR N N 15 114.808 0.4 . 1 . . . . 198 T N . 17251 1 2175 . 1 1 199 199 THR H H 1 7.834 0.03 . 1 . . . . 199 T HN . 17251 1 2176 . 1 1 199 199 THR HA H 1 4.155 0.03 . 1 . . . . 199 T HA . 17251 1 2177 . 1 1 199 199 THR HB H 1 4.234 0.03 . 1 . . . . 199 T HB . 17251 1 2178 . 1 1 199 199 THR HG21 H 1 1.172 0.03 . 1 . . . . 199 T HG21 . 17251 1 2179 . 1 1 199 199 THR HG22 H 1 1.172 0.03 . 1 . . . . 199 T HG21 . 17251 1 2180 . 1 1 199 199 THR HG23 H 1 1.172 0.03 . 1 . . . . 199 T HG21 . 17251 1 2181 . 1 1 199 199 THR C C 13 179.273 0.4 . 1 . . . . 199 T C . 17251 1 2182 . 1 1 199 199 THR CA C 13 63.676 0.4 . 1 . . . . 199 T CA . 17251 1 2183 . 1 1 199 199 THR CB C 13 70.710 0.4 . 1 . . . . 199 T CB . 17251 1 2184 . 1 1 199 199 THR CG2 C 13 21.820 0.4 . 1 . . . . 199 T CG2 . 17251 1 2185 . 1 1 199 199 THR N N 15 122.191 0.4 . 1 . . . . 199 T N . 17251 1 stop_ save_