data_4354 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4354 _Entry.Title ; Solution NMR Studies of a 42kDa Escherichia coli Maltose Binding Protein/ Beta-Cyclodextrin Complex: Chemical Shift Assignments and Analysis ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-06-10 _Entry.Accession_date 1999-06-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kevin Gardner . H. . 4354 2 Xiaochen Zhang . . . 4354 3 Kalle Gehring . . . 4354 4 Lewis Kay . E. . 4354 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4354 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1198 4354 '15N chemical shifts' 330 4354 '1H chemical shifts' 752 4354 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 . . 2001-07-24 . update author 'chemical shift update for residues 81 and 82' 4354 1 . . 1999-06-10 . original author . 4354 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4354 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Gardner, K. H., Zhang, X., Gehring, K., and Kay, L. E., "Solution NMR Studies of a 42kDa Escherichia coli Maltose Binding Protein/Beta-Cyclodextrin Complex: Chemical Shift Assignments and Analysis," J. Am. Chem. Soc. 120, 11738-11748 (1998). ; _Citation.Title ; Solution NMR Studies of a 42kDa Escherichia coli Maltose Binding Protein/ Beta-Cyclodextrin Complex: Chemical Shift Assignments and Analysis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 120 _Citation.Journal_issue 45 _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 11738 _Citation.Page_last 11748 _Citation.Year 1998 _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 Kevin Gardner . H. . 4354 1 2 Xiaochen Zhang . . . 4354 1 3 Kalle Gehring . . . 4354 1 4 Lewis Kay . E. . 4354 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID deuteration 4354 1 MBP 4354 1 stop_ save_ save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 4354 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Gardner, K.H., Zhang, X., Gehring, K. and Kay, L.E. "Solution NMR Studies of a 42KDa Escherichia coli Maltose Binding Protein/Beta-Cyclodextrin Complex: Chemical Shift Assignments and Analysis." J. Am. Chem. Soc. 120(1998): 11738-11748. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MBP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MBP _Assembly.Entry_ID 4354 _Assembly.ID 1 _Assembly.Name 'E. coli maltose binding protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; As of late 1998, this was one of the largest monomeric proteins with >95% complete backbone assignments and a significant number of sidechain assignments. This protein was also used to demonstrate the utility of 2H (1H-methyl) labeling protocols. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4354 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MBP 1 $MBP . . . native . . . . . 4354 1 2 beta-cyclodextrin 2 $BCD . . . native . . . . . 4354 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'E. coli maltose binding protein' system 4354 1 MBP abbreviation 4354 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'binds maltose and related sugars' 4354 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MBP _Entity.Sf_category entity _Entity.Sf_framecode MBP _Entity.Entry_ID 4354 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'E. coli maltose binding protein' _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 ; KTEEGKLVIWINGDKGYNGL AEVGKKFEKDTGIKVTVEHP DKLEEKFPQVAATGDGPDII FWAHDRFGGYAQSGLLAEIT PDKAFQDKLYPFTWDAVRYN GKLIAYPIAVEALSLIYNKD LLPNPPKTWEEIPALDKELK AKGKSALMFNLQEPYFTWPL IAADGGYAFKYENGKYDIKD VGVDNAGAKAGLTFLVDLIK NKHMNADTDYSIAEAAFNKG ETAMTINGPWAWSNIDTSKV NYGVTVLPTFKGQPSKPFVG VLSAGINAASPNKELAKEFL ENYLLTDEGLEAVNKDKPLG AVALKSYEEELAKDPRIAAT MENAQKGEIMPNIPQMSAFW YAVRTAVINAASGRQTVDEA LKDAQTRITK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 370 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40695.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25237 . ER690 . . . . . 100.00 370 99.46 99.46 0.00e+00 . . . . 4354 1 2 no PDB 1A7L . "Dominant B-Cell Epitope From The Pres2 Region Of Hepatitis B Virus In The Form Of An Inserted Peptide Segment In Maltodextrin-B" . . . . . 98.65 389 99.18 99.18 0.00e+00 . . . . 4354 1 3 no PDB 1ANF . "Maltodextrin Binding Protein With Bound Maltose" . . . . . 100.00 370 99.73 99.73 0.00e+00 . . . . 4354 1 4 no PDB 1DMB . "Refined 1.8 Angstroms Structure Reveals The Mechanism Of Binding Of A Cyclic Sugar, Beta-Cyclodextrin, To The Maltodextrin Bind" . . . . . 100.00 370 99.73 99.73 0.00e+00 . . . . 4354 1 5 no PDB 1EZ9 . "Structure Of Maltotetraitol Bound To Open-Form Maltodextrin Binding Protein In P1 Crystal Form" . . . . . 100.00 370 99.73 99.73 0.00e+00 . . . . 4354 1 6 no PDB 1EZO . "Global Fold Of Maltodextrin Binding Protein Complexed With Beta-Cyclodextrin" . . . . . 100.00 370 100.00 100.00 0.00e+00 . . . . 4354 1 7 no PDB 1EZP . "Global Fold Of Maltodextrin Binding Protein Complexed With Beta-Cyclodextrin Using Peptide Orientations From Dipolar Couplings" . . . . . 100.00 370 100.00 100.00 0.00e+00 . . . . 4354 1 8 no PDB 1FQA . "Structure Of Maltotetraitol Bound To Open-Form Maltodextrin Binding Protein In P2(1)crystal Form" . . . . . 99.46 370 100.00 100.00 0.00e+00 . . . . 4354 1 9 no PDB 1FQB . "Structure Of Maltotriotol Bound To Open-Form Maltodextrin Binding Protein In P2(1)crystal Form" . . . . . 99.46 370 100.00 100.00 0.00e+00 . . . . 4354 1 10 no PDB 1FQC . "Crystal Structure Of Maltotriotol Bound To Closed-Form Maltodextrin Binding Protein" . . . . . 99.46 370 100.00 100.00 0.00e+00 . . . . 4354 1 11 no PDB 1FQD . "Crystal Structure Of Maltotetraitol Bound To Closed-Form Maltodextrin Binding Protein" . . . . . 99.46 370 100.00 100.00 0.00e+00 . . . . 4354 1 12 no PDB 1HSJ . "Sarr Mbp Fusion Structure" . . . . . 98.92 487 99.18 99.18 0.00e+00 . . . . 4354 1 13 no PDB 1JVX . "Maltodextrin-Binding Protein Variant D207cA301GSP316C Cross-Linked In Crystal" . . . . . 100.27 372 98.65 98.92 0.00e+00 . . . . 4354 1 14 no PDB 1JVY . "Maltodextrin-Binding Protein Variant D207cA301GSP316C With Beta-Mercaptoethanol Mixed Disulfides" . . . . . 100.27 372 98.65 98.92 0.00e+00 . . . . 4354 1 15 no PDB 1JW4 . "Structure Of Ligand-Free Maltodextrin-Binding Protein" . . . . . 100.00 370 99.73 99.73 0.00e+00 . . . . 4354 1 16 no PDB 1JW5 . "Structure Of Maltose Bound To Open-Form Maltodextrin- Binding Protein In P1 Crystal" . . . . . 100.00 370 99.73 99.73 0.00e+00 . . . . 4354 1 17 no PDB 1LAX . "Crystal Structure Of Male31, A Defective Folding Mutant Of Maltose-Binding Protein" . . . . . 100.00 370 99.19 99.19 0.00e+00 . . . . 4354 1 18 no PDB 1LLS . "Crystal Structure Of Unliganded Maltose Binding Protein With Xenon" . . . . . 100.00 370 99.73 99.73 0.00e+00 . . . . 4354 1 19 no PDB 1MDP . "Refined Structures Of Two Insertion(Slash)deletion Mutants Probe Function Of The Maltodextrin Binding Protein" . . . . . 100.00 363 97.30 97.30 0.00e+00 . . . . 4354 1 20 no PDB 1MDQ . "Refined Structures Of Two Insertion(slash)deletion Mutants Probe Function Of The Maltodextrin Binding Protein" . . . . . 100.27 371 99.19 99.46 0.00e+00 . . . . 4354 1 21 no PDB 1MG1 . "Htlv-1 Gp21 EctodomainMALTOSE-Binding Protein Chimera" . . . . . 97.84 450 99.17 99.17 0.00e+00 . . . . 4354 1 22 no PDB 1MH3 . "Maltose Binding-A1 Homeodomain Protein Chimera, Crystal Form I" . . . . . 98.92 421 98.91 98.91 0.00e+00 . . . . 4354 1 23 no PDB 1MH4 . "Maltose Binding-A1 Homeodomain Protein Chimera, Crystal Form Ii" . . . . . 98.92 421 98.91 98.91 0.00e+00 . . . . 4354 1 24 no PDB 1MPB . "Maltodextrin-Binding Protein (Maltose-Binding Protein) Mutant, With Arginine Replacing Tryptophan At Position 230 (Trp-230-Arg)" . . . . . 100.00 370 99.46 99.46 0.00e+00 . . . . 4354 1 25 no PDB 1MPC . "Maltodextrin-binding Protein (maltose-binding Protein) Mutant, With Arginine Replacing Tryptophan At Position 230 (trp-230-arg)" . . . . . 100.00 370 99.46 99.46 0.00e+00 . . . . 4354 1 26 no PDB 1MPD . "Maltodextrin-Binding Protein (Maltose-Binding Protein) Mutant, With Arginine Replacing Tryptophan At Position 230 (Trp-230-Arg)" . . . . . 100.00 370 99.46 99.46 0.00e+00 . . . . 4354 1 27 no PDB 1N3W . "Engineered High-affinity Maltose-binding Protein" . . . . . 100.00 366 98.38 98.38 0.00e+00 . . . . 4354 1 28 no PDB 1N3X . "Ligand-Free High-Affinity Maltose-Binding Protein" . . . . . 100.00 366 98.38 98.38 0.00e+00 . . . . 4354 1 29 no PDB 1NL5 . "Engineered High-affinity Maltose-binding Protein" . . . . . 100.00 366 97.84 97.84 0.00e+00 . . . . 4354 1 30 no PDB 1NMU . Mbp-L30 . . . . . 98.92 382 99.73 99.73 0.00e+00 . . . . 4354 1 31 no PDB 1OMP . "Crystallographic Evidence Of A Large Ligand-Induced Hinge- Twist Motion Between The Two Domains Of The Maltodextrin- Binding Pr" . . . . . 100.00 370 99.73 99.73 0.00e+00 . . . . 4354 1 32 no PDB 1PEB . "Ligand-Free High-Affinity Maltose-Binding Protein" . . . . . 100.00 366 97.84 97.84 0.00e+00 . . . . 4354 1 33 no PDB 1R6Z . "The Crystal Structure Of The Argonaute2 Paz Domain (as A Mbp Fusion)" . . . . . 98.92 509 99.73 99.73 0.00e+00 . . . . 4354 1 34 no PDB 1SVX . "Crystal Structure Of A Designed Selected Ankyrin Repeat Protein In Complex With The Maltose Binding Protein" . . . . . 98.92 395 100.00 100.00 0.00e+00 . . . . 4354 1 35 no PDB 1T0K . "Joint X-ray And Nmr Refinement Of Yeast L30e-mrna Complex" . . . . . 98.92 381 99.73 99.73 0.00e+00 . . . . 4354 1 36 no PDB 1Y4C . "Designed Helical Protein Fusion Mbp" . . . . . 98.92 494 99.73 99.73 0.00e+00 . . . . 4354 1 37 no PDB 1YTV . "Maltose-binding Protein Fusion To A C-terminal Fragment Of The V1a Vasopressin Receptor" . . . . . 98.92 366 99.73 99.73 0.00e+00 . . . . 4354 1 38 no PDB 1ZIU . "Crystal Structure Of Nickel-bound Engineered Maltose Binding Protein" . . . . . 100.00 370 98.38 98.38 0.00e+00 . . . . 4354 1 39 no PDB 1ZJL . "Crystal Structure Of Zinc-Bound Engineered Maltose Binding Protein" . . . . . 100.00 370 98.38 98.38 0.00e+00 . . . . 4354 1 40 no PDB 1ZKB . "Zinc-Free Engineered Maltose Binding Protein" . . . . . 100.00 370 98.38 98.38 0.00e+00 . . . . 4354 1 41 no PDB 1ZMG . "Crystal Structure Of Copper-Bound Engineered Maltose Binding Protein" . . . . . 100.00 370 98.38 98.38 0.00e+00 . . . . 4354 1 42 no PDB 2D21 . "Nmr Structure Of Stereo-Array Isotope Labelled (Sail) Maltodextrin-Binding Protein (Mbp)" . . . . . 100.00 370 99.73 99.73 0.00e+00 . . . . 4354 1 43 no PDB 2H25 . "Solution Structure Of Maltose Binding Protein Complexed With Beta-Cyclodextrin" . . . . . 100.00 370 100.00 100.00 0.00e+00 . . . . 4354 1 44 no PDB 2KLF . "Pere Nmr Structure Of Maltodextrin-Binding Protein" . . . . . 100.00 370 100.00 100.00 0.00e+00 . . . . 4354 1 45 no PDB 2MV0 . "Solution Nmr Structure Of Maltose-binding Protein From Escherichia Coli, Northeast Structural Genomics Consortium (nesg) Target" . . . . . 100.00 370 99.73 99.73 0.00e+00 . . . . 4354 1 46 no PDB 2N44 . "Ec-nmr Structure Of Escherichia Coli Maltose-binding Protein Determined By Combining Evolutionary Couplings (ec) And Sparse Nmr" . . . . . 100.00 370 99.73 99.73 0.00e+00 . . . . 4354 1 47 no PDB 2N45 . "Ec-nmr Structure Of Escherichia Coli Maltose-binding Protein Determined By Combining Evolutionary Couplings (ec) And Sparse Nmr" . . . . . 100.00 370 99.73 99.73 0.00e+00 . . . . 4354 1 48 no PDB 2NVU . "Structure Of Appbp1-Uba3~nedd8-Nedd8-Mgatp-Ubc12(C111a), A Trapped Ubiquitin-Like Protein Activation Complex" . . . . . 98.92 805 98.91 98.91 0.00e+00 . . . . 4354 1 49 no PDB 2OBG . "Crystal Structure Of Monobody Mbp-74MALTOSE BINDING PROTEIN FUSION Complex" . . . . . 98.92 461 100.00 100.00 0.00e+00 . . . . 4354 1 50 no PDB 2OK2 . "Muts C-Terminal Domain Fused To Maltose Binding Protein" . . . . . 98.92 402 99.45 99.73 0.00e+00 . . . . 4354 1 51 no PDB 2R6G . "The Crystal Structure Of The E. Coli Maltose Transporter" . . . . . 100.00 370 99.73 99.73 0.00e+00 . . . . 4354 1 52 no PDB 2V93 . "Equillibrium Mixture Of Open And Partially-Closed Species In The Apo State Of Maltodextrin-Binding Protein By Paramagnetic Rela" . . . . . 100.00 370 99.19 99.19 0.00e+00 . . . . 4354 1 53 no PDB 2VGQ . "Crystal Structure Of Human Ips-1 Card" . . . . . 98.92 477 99.73 99.73 0.00e+00 . . . . 4354 1 54 no PDB 2XZ3 . "Blv Tm Hairpin" . . . . . 98.92 463 98.91 98.91 0.00e+00 . . . . 4354 1 55 no PDB 2ZXT . "Crystal Structure Of Tim40/mia40, A Disulfide Relay System In Mitochondria, Solved As Mbp Fusion Protein" . . . . . 98.92 465 99.73 99.73 0.00e+00 . . . . 4354 1 56 no PDB 3A3C . "Crystal Structure Of Tim40/mia40 Fusing Mbp, C296s And C298s Mutant" . . . . . 98.38 451 100.00 100.00 0.00e+00 . . . . 4354 1 57 no PDB 3C4M . "Structure Of Human Parathyroid Hormone In Complex With The Extracellular Domain Of Its G-Protein-Coupled Receptor (Pth1r)" . . . . . 98.92 539 99.73 99.73 0.00e+00 . . . . 4354 1 58 no PDB 3CSB . "Crystal Structure Of Monobody Ysx1MALTOSE BINDING PROTEIN Fusion Complex" . . . . . 98.92 465 100.00 100.00 0.00e+00 . . . . 4354 1 59 no PDB 3CSG . "Crystal Structure Of Monobody Ys1(Mbp-74)MALTOSE BINDING Protein Fusion Complex" . . . . . 98.92 461 100.00 100.00 0.00e+00 . . . . 4354 1 60 no PDB 3D4C . "Zp-N Domain Of Mammalian Sperm Receptor Zp3 (Crystal Form I)" . . . . . 98.92 481 99.18 99.18 0.00e+00 . . . . 4354 1 61 no PDB 3D4G . "Zp-N Domain Of Mammalian Sperm Receptor Zp3 (Crystal Form Ii)" . . . . . 98.92 481 99.18 99.18 0.00e+00 . . . . 4354 1 62 no PDB 3DM0 . "Maltose Binding Protein Fusion With Rack1 From A. Thaliana" . . . . . 98.92 694 98.09 98.09 0.00e+00 . . . . 4354 1 63 no PDB 3EF7 . "Zp-N Domain Of Mammalian Sperm Receptor Zp3 (Crystal Form Iii)" . . . . . 98.92 481 99.18 99.18 0.00e+00 . . . . 4354 1 64 no PDB 3EHS . "Crystal Structure Of The Extracellular Domain Of Human Corticotropin Releasing Factor Receptor Type 1 (Crfr1)" . . . . . 98.92 476 99.73 99.73 0.00e+00 . . . . 4354 1 65 no PDB 3EHT . "Crystal Structure Of The Extracellular Domain Of Human Corticotropin Releasing Factor Receptor Type 1 (crfr1) In Complex With C" . . . . . 98.92 476 99.45 99.45 0.00e+00 . . . . 4354 1 66 no PDB 3EHU . "Crystal Structure Of The Extracellular Domain Of Human Corticotropin Releasing Factor Receptor Type 1 (crfr1) In Complex With C" . . . . . 98.92 476 99.45 99.45 0.00e+00 . . . . 4354 1 67 no PDB 3F5F . "Crystal Structure Of Heparan Sulfate 2-O-Sulfotransferase From Gallus Gallus As A Maltose Binding Protein Fusion" . . . . . 98.92 658 98.91 98.91 0.00e+00 . . . . 4354 1 68 no PDB 3G7V . "Islet Amyloid Polypeptide (iapp Or Amylin) Fused To Maltose Binding Protein" . . . . . 99.19 408 98.64 98.64 0.00e+00 . . . . 4354 1 69 no PDB 3G7W . "Islet Amyloid Polypeptide (Iapp Or Amylin) Residues 1 To 22 Fused To Maltose Binding Protein" . . . . . 98.92 393 98.91 98.91 0.00e+00 . . . . 4354 1 70 no PDB 3H3G . "Crystal Structure Of The Extracellular Domain Of The Human Parathyroid Hormone Receptor (Pth1r) In Complex With Parathyroid Hor" . . . . . 98.92 539 99.73 99.73 0.00e+00 . . . . 4354 1 71 no PDB 3H4Z . "Crystal Structure Of An Mbp-Der P 7 Fusion Protein" . . . . . 98.92 568 97.54 97.54 0.00e+00 . . . . 4354 1 72 no PDB 3HPI . "Crystal Structure Of Maltose-Binding Protein Mutant With Bound Sucrose" . . . . . 100.00 372 98.65 98.92 0.00e+00 . . . . 4354 1 73 no PDB 3HST . "N-Terminal Rnase H Domain Of Rv2228c From Mycobacterium Tuberculosis As A Fusion Protein With Maltose Binding Protein" . . . . . 99.19 387 99.46 99.46 0.00e+00 . . . . 4354 1 74 no PDB 3IO4 . "Huntingtin Amino-Terminal Region With 17 Gln Residues - Crystal C90" . . . . . 98.92 449 98.91 98.91 0.00e+00 . . . . 4354 1 75 no PDB 3IO6 . "Huntingtin Amino-Terminal Region With 17 Gln Residues - Crystal C92-A" . . . . . 98.92 449 98.91 98.91 0.00e+00 . . . . 4354 1 76 no PDB 3IOR . "Huntingtin Amino-terminal Region With 17 Gln Residues - Crystal C95" . . . . . 98.92 449 98.91 98.91 0.00e+00 . . . . 4354 1 77 no PDB 3IOT . "Huntingtin Amino-terminal Region With 17 Gln Residues - Crystal C92-b" . . . . . 98.92 449 98.91 98.91 0.00e+00 . . . . 4354 1 78 no PDB 3IOU . "Huntingtin Amino-terminal Region With 17 Gln Residues - Crystal C94" . . . . . 98.92 449 98.91 98.91 0.00e+00 . . . . 4354 1 79 no PDB 3IOV . "Huntingtin Amino-terminal Region With 17 Gln Residues - Crystal C99" . . . . . 98.92 449 98.91 98.91 0.00e+00 . . . . 4354 1 80 no PDB 3IOW . "Huntingtin Amino-terminal Region With 17 Gln Residues - Crystal C99-hg" . . . . . 98.92 449 98.91 98.91 0.00e+00 . . . . 4354 1 81 no PDB 3J9P . "Structure Of The Trpa1 Ion Channel Determined By Electron Cryo- Microscopy" . . . . . 98.92 1528 99.73 99.73 0.00e+00 . . . . 4354 1 82 no PDB 3KJT . "Stimulation Of The Maltose Transporter By A Mutant Sucrose B Protein Gives Insights Into Abc Transporter Coupling" . . . . . 100.00 372 98.65 98.92 0.00e+00 . . . . 4354 1 83 no PDB 3L2J . "Dimeric Structure Of The Ligand-Free Extracellular Domain Of Parathyroid Hormone Receptor (Pth1r)" . . . . . 98.38 535 100.00 100.00 0.00e+00 . . . . 4354 1 84 no PDB 3LBS . "Crystal Structure Of The Cytoplasmic Tail Of (Pro)renin Receptor As A Mbp Fusion (Maltose-Bound Form)" . . . . . 98.38 384 99.45 100.00 0.00e+00 . . . . 4354 1 85 no PDB 3LC8 . "Crystal Structure Of The Cytoplasmic Tail Of (Pro)renin Receptor As A Mbp Fusion (Maltose-Free Form)" . . . . . 98.38 384 99.45 100.00 0.00e+00 . . . . 4354 1 86 no PDB 3MBP . "Maltodextrin-Binding Protein With Bound Maltotriose" . . . . . 100.00 370 99.73 99.73 0.00e+00 . . . . 4354 1 87 no PDB 3MP1 . "Complex Structure Of Sgf29 And Trimethylated H3k4" . . . . . 98.92 522 99.18 99.18 0.00e+00 . . . . 4354 1 88 no PDB 3MP6 . "Complex Structure Of Sgf29 And Dimethylated H3k4" . . . . . 98.92 522 99.18 99.18 0.00e+00 . . . . 4354 1 89 no PDB 3MP8 . "Crystal Structure Of Sgf29 Tudor Domain" . . . . . 98.92 522 99.18 99.18 0.00e+00 . . . . 4354 1 90 no PDB 3MQ9 . "Crystal Structure Of Ectodomain Mutant Of Bst-2TETHERINCD317 FUSED To Mbp" . . . . . 99.73 471 99.73 99.73 0.00e+00 . . . . 4354 1 91 no PDB 3N93 . "Crystal Structure Of Human Crfr2 Alpha Extracellular Domain In Complex With Urocortin 3" . . . . . 98.92 482 99.73 99.73 0.00e+00 . . . . 4354 1 92 no PDB 3N94 . "Crystal Structure Of Human Pituitary Adenylate Cyclase 1 Receptor- Short N-Terminal Extracellular Domain" . . . . . 98.92 475 99.73 99.73 0.00e+00 . . . . 4354 1 93 no PDB 3N95 . "Crystal Structure Of Human Crfr2 Alpha Extracellular Domain In Complex With Urocortin 2" . . . . . 98.92 482 99.73 99.73 0.00e+00 . . . . 4354 1 94 no PDB 3N96 . "Crystal Structure Of Human Crfr2 Alpha Extracellular Domain In Complex With Urocortin 1" . . . . . 98.92 482 99.73 99.73 0.00e+00 . . . . 4354 1 95 no PDB 3O3U . "Crystal Structure Of Human Receptor For Advanced Glycation Endproducts (Rage)" . . . . . 98.38 581 99.18 99.18 0.00e+00 . . . . 4354 1 96 no PDB 3OAI . "Crystal Structure Of The Extra-Cellular Domain Of Human Myelin Protein Zero" . . . . . 99.19 507 99.46 99.46 0.00e+00 . . . . 4354 1 97 no PDB 3OB4 . "Mbp-Fusion Protein Of The Major Peanut Allergen Ara H 2" . . . . . 98.92 500 97.54 97.54 0.00e+00 . . . . 4354 1 98 no PDB 3PGF . "Crystal Structure Of Maltose Bound Mbp With A Conformationally Specific Synthetic Antigen Binder (Sab)" . . . . . 99.19 398 99.46 99.46 0.00e+00 . . . . 4354 1 99 no PDB 3PUV . "Crystal Structure Of An Outward-Facing Mbp-Maltose Transporter Complex Bound To Adp-Vo4" . . . . . 100.00 378 99.73 99.73 0.00e+00 . . . . 4354 1 100 no PDB 3PUW . "Crystal Structure Of An Outward-Facing Mbp-Maltose Transporter Complex Bound To Adp-Alf4" . . . . . 100.00 378 99.73 99.73 0.00e+00 . . . . 4354 1 101 no PDB 3PUX . "Crystal Structure Of An Outward-Facing Mbp-Maltose Transporter Complex Bound To Adp-Bef3" . . . . . 100.00 378 99.73 99.73 0.00e+00 . . . . 4354 1 102 no PDB 3PUY . "Crystal Structure Of An Outward-Facing Mbp-Maltose Transporter Complex Bound To Amp-Pnp After Crystal Soaking Of The Pretranslo" . . . . . 100.00 378 99.73 99.73 0.00e+00 . . . . 4354 1 103 no PDB 3PUZ . "Crystal Structure Of A Pre-Translocation State Mbp-Maltose Transporter Complex Bound To Amp-Pnp" . . . . . 100.00 370 99.19 99.19 0.00e+00 . . . . 4354 1 104 no PDB 3PV0 . "Crystal Structure Of A Pre-Translocation State Mbp-Maltose Transporter Complex Without Nucleotide" . . . . . 100.00 370 99.19 99.19 0.00e+00 . . . . 4354 1 105 no PDB 3PY7 . "Crystal Structure Of Full-length Bovine Papillomavirus Oncoprotein E6 In Complex With Ld1 Motif Of Paxillin At 2.3a Resolution" . . . . . 98.92 523 98.09 98.09 0.00e+00 . . . . 4354 1 106 no PDB 3Q25 . "Crystal Structure Of Human Alpha-Synuclein (1-19) Fused To Maltose Binding Protein (Mbp)" . . . . . 98.92 390 99.73 99.73 0.00e+00 . . . . 4354 1 107 no PDB 3Q26 . "Cyrstal Structure Of Human Alpha-Synuclein (10-42) Fused To Maltose Binding Protein (Mbp)" . . . . . 98.92 404 99.73 99.73 0.00e+00 . . . . 4354 1 108 no PDB 3Q27 . "Cyrstal Structure Of Human Alpha-Synuclein (32-57) Fused To Maltose Binding Protein (Mbp)" . . . . . 98.92 397 99.73 99.73 0.00e+00 . . . . 4354 1 109 no PDB 3Q28 . "Cyrstal Structure Of Human Alpha-Synuclein (58-79) Fused To Maltose Binding Protein (Mbp)" . . . . . 99.19 393 99.46 99.46 0.00e+00 . . . . 4354 1 110 no PDB 3Q29 . "Cyrstal Structure Of Human Alpha-Synuclein (1-19) Fused To Maltose Binding Protein (Mbp)" . . . . . 98.92 390 99.73 99.73 0.00e+00 . . . . 4354 1 111 no PDB 3RLF . "Crystal Structure Of The Maltose-Binding ProteinMALTOSE TRANSPORTER Complex In An Outward-Facing Conformation Bound To Mgamppnp" . . . . . 100.00 380 99.73 99.73 0.00e+00 . . . . 4354 1 112 no PDB 3RUM . "New Strategy To Analyze Structures Of Glycopeptide Antibiotic-Target Complexes" . . . . . 98.92 378 99.73 99.73 0.00e+00 . . . . 4354 1 113 no PDB 3SER . "Zn-Mediated Polymer Of Maltose-Binding Protein K26hK30H BY SYNTHETIC Symmetrization" . . . . . 99.19 372 98.09 98.09 0.00e+00 . . . . 4354 1 114 no PDB 3SES . "Cu-Mediated Dimer Of Maltose-Binding Protein A216hK220H BY SYNTHETIC Symmetrization" . . . . . 99.19 372 98.09 98.09 0.00e+00 . . . . 4354 1 115 no PDB 3SET . "Ni-Mediated Dimer Of Maltose-Binding Protein A216hK220H BY SYNTHETIC Symmetrization (Form I)" . . . . . 99.19 372 98.09 98.09 0.00e+00 . . . . 4354 1 116 no PDB 3SEU . "Zn-Mediated Polymer Of Maltose-Binding Protein A216hK220H BY Synthetic Symmetrization (Form Iii)" . . . . . 99.19 372 98.09 98.09 0.00e+00 . . . . 4354 1 117 no PDB 3SEV . "Zn-Mediated Trimer Of Maltose-Binding Protein E310hK314H BY SYNTHETIC Symmetrization" . . . . . 99.19 372 98.09 98.09 0.00e+00 . . . . 4354 1 118 no PDB 3SEW . "Zn-Mediated Polymer Of Maltose-Binding Protein A216hK220H BY Synthetic Symmetrization (Form I)" . . . . . 99.19 372 98.09 98.09 0.00e+00 . . . . 4354 1 119 no PDB 3SEX . "Ni-Mediated Dimer Of Maltose-Binding Protein A216hK220H BY SYNTHETIC Symmetrization (Form Ii)" . . . . . 99.19 372 98.09 98.09 0.00e+00 . . . . 4354 1 120 no PDB 3SEY . "Zn-Mediated Polymer Of Maltose-Binding Protein A216hK220H BY Synthetic Symmetrization (Form Ii)" . . . . . 99.19 372 98.09 98.09 0.00e+00 . . . . 4354 1 121 no PDB 3VD8 . "Crystal Structure Of Human Aim2 Pyd Domain With Mbp Fusion" . . . . . 98.92 489 97.54 97.54 0.00e+00 . . . . 4354 1 122 no PDB 3VFJ . "The Structure Of Monodechloro-teicoplanin In Complex With Its Ligand, Using Mbp As A Ligand Carrier" . . . . . 98.92 378 99.73 99.73 0.00e+00 . . . . 4354 1 123 no PDB 3W15 . "Structure Of Peroxisomal Targeting Signal 2 (pts2) Of Saccharomyces Cerevisiae 3-ketoacyl-coa Thiolase In Complex With Pex7p An" . . . . . 100.00 389 99.73 99.73 0.00e+00 . . . . 4354 1 124 no PDB 3WAI . "Crystal Structure Of The C-terminal Globular Domain Of Oligosaccharyltransferase (afaglb-l, O29867_arcfu) From Archaeoglobus Fu" . . . . . 98.92 739 99.73 99.73 0.00e+00 . . . . 4354 1 125 no PDB 3WOA . "Crystal Structure Of Lambda Repressor (1-45) Fused With Maltose- Binding Protein" . . . . . 98.92 417 99.73 99.73 0.00e+00 . . . . 4354 1 126 no PDB 4B3N . "Crystal Structure Of Rhesus Trim5alpha PrySPRY DOMAIN" . . . . . 100.00 602 99.19 99.73 0.00e+00 . . . . 4354 1 127 no PDB 4BL8 . "Crystal Structure Of Full-length Human Suppressor Of Fused (sufu)" . . . . . 98.92 831 99.18 99.18 0.00e+00 . . . . 4354 1 128 no PDB 4BL9 . "Crystal Structure Of Full-length Human Suppressor Of Fused ( Sufu) Mutant Lacking A Regulatory Subdomain (crystal Form I)" . . . . . 98.92 756 99.18 99.18 0.00e+00 . . . . 4354 1 129 no PDB 4BLA . "Crystal Structure Of Full-length Human Suppressor Of Fused (sufu) Mutant Lacking A Regulatory Subdomain (crystal Form Ii)" . . . . . 98.92 756 99.18 99.18 0.00e+00 . . . . 4354 1 130 no PDB 4BLB . "Crystal Structure Of A Human Suppressor Of Fused (sufu)- Gli1p Complex" . . . . . 98.92 753 98.63 98.63 0.00e+00 . . . . 4354 1 131 no PDB 4BLD . "Crystal Structure Of A Human Suppressor Of Fused (sufu)- Gli3p Complex" . . . . . 98.92 753 98.63 98.63 0.00e+00 . . . . 4354 1 132 no PDB 4EDQ . "Mbp-fusion Protein Of Myosin-binding Protein C Residues 149-269" . . . . . 98.92 492 98.91 98.91 0.00e+00 . . . . 4354 1 133 no PDB 4EGC . "Crystal Structure Of Mbp-fused Human Six1 Bound To Human Eya2 Eya Domain" . . . . . 98.92 559 98.36 98.36 0.00e+00 . . . . 4354 1 134 no PDB 4EXK . "A Chimera Protein Containing Mbp Fused To The C-Terminal Domain Of The Uncharacterized Protein Stm14_2015 From Salmonella Enter" . . . . . 98.92 487 97.54 97.54 0.00e+00 . . . . 4354 1 135 no PDB 4FE8 . "Crystal Structure Of Htt36q3h-ex1-x1-c1(alpha)" . . . . . 98.92 452 98.91 98.91 0.00e+00 . . . . 4354 1 136 no PDB 4FEB . "Crystal Structure Of Htt36q3h-ex1-x1-c2(beta)" . . . . . 98.92 452 98.91 98.91 0.00e+00 . . . . 4354 1 137 no PDB 4FEC . "Crystal Structure Of Htt36q3h" . . . . . 98.92 452 98.91 98.91 0.00e+00 . . . . 4354 1 138 no PDB 4FED . "Crystal Structure Of Htt36q3h" . . . . . 98.92 452 98.91 98.91 0.00e+00 . . . . 4354 1 139 no PDB 4GIZ . "Crystal Structure Of Full-length Human Papillomavirus Oncoprotein E6 In Complex With Lxxll Peptide Of Ubiquitin Ligase E6ap At " . . . . . 98.92 382 98.09 98.09 0.00e+00 . . . . 4354 1 140 no PDB 4GLI . "Crystal Structure Of Human Smn Yg-Dimer" . . . . . 99.73 401 99.73 99.73 0.00e+00 . . . . 4354 1 141 no PDB 4H1G . "Structure Of Candida Albicans Kar3 Motor Domain Fused To Maltose- Binding Protein" . . . . . 98.92 715 98.91 98.91 0.00e+00 . . . . 4354 1 142 no PDB 4IFP . "X-ray Crystal Structure Of Human Nlrp1 Card Domain" . . . . . 98.92 466 97.54 97.54 0.00e+00 . . . . 4354 1 143 no PDB 4JBZ . "Structure Of Mcm10 Coiled-coil Region" . . . . . 98.92 403 97.54 97.54 0.00e+00 . . . . 4354 1 144 no PDB 4JKM . "Crystal Structure Of Clostridium Perfringens Beta-glucuronidase" . . . . . 99.19 400 99.18 99.18 0.00e+00 . . . . 4354 1 145 no PDB 4KEG . "Crystal Structure Of Mbp Fused Human Splunc1" . . . . . 98.92 584 99.18 99.18 0.00e+00 . . . . 4354 1 146 no PDB 4KHZ . "Crystal Structure Of The Maltose-binding Protein/maltose Transporter Complex In An Pre-translocation Conformation Bound To Malt" . . . . . 100.00 380 99.73 99.73 0.00e+00 . . . . 4354 1 147 no PDB 4KI0 . "Crystal Structure Of The Maltose-binding Protein/maltose Transporter Complex In An Outward-facing Conformation Bound To Maltohe" . . . . . 100.00 380 99.73 99.73 0.00e+00 . . . . 4354 1 148 no PDB 4KV3 . "Ubiquitin-like Domain Of The Mycobacterium Tuberculosis Type Vii Secretion System Protein Eccd1 As Maltose-binding Protein Fusi" . . . . . 98.92 461 98.91 98.91 0.00e+00 . . . . 4354 1 149 no PDB 4KYC . "Structure Of The C-terminal Domain Of The Menangle Virus Phosphoprotein, Fused To Mbp" . . . . . 98.92 420 98.36 98.36 0.00e+00 . . . . 4354 1 150 no PDB 4KYD . "Partial Structure Of The C-terminal Domain Of The Hpiv4b Phosphoprotein, Fused To Mbp." . . . . . 98.92 420 98.36 98.36 0.00e+00 . . . . 4354 1 151 no PDB 4KYE . "Partial Structure Of The C-terminal Domain Of The Hpiv4b Phosphoprotein, Fused To Mbp" . . . . . 98.92 420 98.36 98.36 0.00e+00 . . . . 4354 1 152 no PDB 4LOG . "The Crystal Structure Of The Orphan Nuclear Receptor Pnr Ligand Binding Domain Fused With Mbp" . . . . . 98.92 574 99.73 99.73 0.00e+00 . . . . 4354 1 153 no PDB 4MBP . "Maltodextrin Binding Protein With Bound Maltetrose" . . . . . 100.00 370 99.73 99.73 0.00e+00 . . . . 4354 1 154 no PDB 4MY2 . "Crystal Structure Of Norrin In Fusion With Maltose Binding Protein" . . . . . 98.92 477 99.73 99.73 0.00e+00 . . . . 4354 1 155 no PDB 4N4X . "Crystal Structure Of The Mbp Fused Human Splunc1 (native Form)" . . . . . 98.92 584 99.18 99.18 0.00e+00 . . . . 4354 1 156 no PDB 4NDZ . "Structure Of Maltose Binding Protein Fusion To 2-o-sulfotransferase With Bound Heptasaccharide And Pap" . . . . . 98.92 658 98.91 98.91 0.00e+00 . . . . 4354 1 157 no PDB 4NUF . "Crystal Structure Of Shp/eid1" . . . . . 98.92 580 99.73 99.73 0.00e+00 . . . . 4354 1 158 no PDB 4O4B . "Crystal Structure Of An Inositol Hexakisphosphate Kinase Ehip6ka As A Fusion Protein With Maltose Binding Protein" . . . . . 98.92 396 99.73 99.73 0.00e+00 . . . . 4354 1 159 no PDB 4OGM . "Mbp-fusion Protein Of Pila1 Residues 26-159" . . . . . 99.19 520 97.28 97.28 0.00e+00 . . . . 4354 1 160 no PDB 4OZQ . "Crystal Structure Of The Mouse Kif14 Motor Domain" . . . . . 98.92 720 98.91 98.91 0.00e+00 . . . . 4354 1 161 no PDB 4PE2 . "Mbp Pila1 Cd160" . . . . . 99.19 516 99.46 99.46 0.00e+00 . . . . 4354 1 162 no PDB 4PQK . "C-terminal Domain Of Dna Binding Protein" . . . . . 99.19 487 99.46 99.46 0.00e+00 . . . . 4354 1 163 no PDB 4QSZ . "Crystal Structure Of Mouse Jmjd7 Fused With Maltose-binding Protein" . . . . . 98.92 687 99.18 99.18 0.00e+00 . . . . 4354 1 164 no PDB 4QVH . "Crystal Structure Of The Essential Mycobacterium Tuberculosis Phosphopantetheinyl Transferase Pptt, Solved As A Fusion Protein " . . . . . 98.92 598 98.36 98.36 0.00e+00 . . . . 4354 1 165 no PDB 4R0Y . "Structure Of Maltose-binding Protein Fusion With The C-terminal Gh1 Domain Of Guanylate Kinase-associated Protein From Rattus N" . . . . . 97.57 501 99.72 99.72 0.00e+00 . . . . 4354 1 166 no PDB 4RG5 . "Crystal Structure Of S. Pombe Smn Yg-dimer" . . . . . 99.73 401 99.73 99.73 0.00e+00 . . . . 4354 1 167 no PDB 4RWF . "Crystal Structure Of The Clr:ramp2 Extracellular Domain Heterodimer With Bound Adrenomedullin" . . . . . 98.92 591 99.73 99.73 0.00e+00 . . . . 4354 1 168 no PDB 4RWG . "Crystal Structure Of The Clr:ramp1 Extracellular Domain Heterodimer With Bound High Affinity Cgrp Analog" . . . . . 98.92 593 99.73 99.73 0.00e+00 . . . . 4354 1 169 no PDB 4TSM . "Mbp-fusion Protein Of Pila1 From C. Difficile R20291 Residues 26-166" . . . . . 99.19 520 97.28 97.28 0.00e+00 . . . . 4354 1 170 no PDB 4WGI . "A Single Diastereomer Of A Macrolactam Core Binds Specifically To Myeloid Cell Leukemia 1 (mcl1)" . . . . . 98.92 518 99.73 99.73 0.00e+00 . . . . 4354 1 171 no PDB 4WJV . "Crystal Structure Of Rsa4 In Complex With The Nsa2 Binding Peptide" . . . . . 99.19 381 97.82 97.82 0.00e+00 . . . . 4354 1 172 no PDB 4WMS . "Structure Of Apo Mbp-mcl1 At 1.9a" . . . . . 98.92 518 99.73 99.73 0.00e+00 . . . . 4354 1 173 no PDB 4WMT . "Structure Of Mbp-mcl1 Bound To Ligand 1 At 2.35a" . . . . . 98.92 518 99.73 99.73 0.00e+00 . . . . 4354 1 174 no PDB 4WMU . "Structure Of Mbp-mcl1 Bound To Ligand 2 At 1.55a" . . . . . 98.92 518 99.73 99.73 0.00e+00 . . . . 4354 1 175 no PDB 4WMV . "Structure Of Mbp-mcl1 Bound To Ligand 4 At 2.4a" . . . . . 98.92 518 99.73 99.73 0.00e+00 . . . . 4354 1 176 no PDB 4WMW . "The Structure Of Mbp-mcl1 Bound To Ligand 5 At 1.9a" . . . . . 98.92 518 99.73 99.73 0.00e+00 . . . . 4354 1 177 no PDB 4WMX . "The Structure Of Mbp-mcl1 Bound To Ligand 6 At 2.0a" . . . . . 98.92 518 99.73 99.73 0.00e+00 . . . . 4354 1 178 no PDB 4WVG . "Crystal Structure Of The Type-i Signal Peptidase From Staphylococcus Aureus (spsb)" . . . . . 97.30 542 99.72 100.00 0.00e+00 . . . . 4354 1 179 no PDB 4WVH . "Crystal Structure Of The Type-i Signal Peptidase From Staphylococcus Aureus (spsb) In Complex With A Substrate Peptide (pep1)." . . . . . 97.30 533 98.89 99.17 0.00e+00 . . . . 4354 1 180 no PDB 4WVI . "Crystal Structure Of The Type-i Signal Peptidase From Staphylococcus Aureus (spsb) In Complex With A Substrate Peptide (pep2)." . . . . . 97.30 533 98.89 99.17 0.00e+00 . . . . 4354 1 181 no PDB 4WVJ . "Crystal Structure Of The Type-i Signal Peptidase From Staphylococcus Aureus (spsb) In Complex With An Inhibitor Peptide (pep3)" . . . . . 97.30 533 98.89 99.17 0.00e+00 . . . . 4354 1 182 no PDB 4XAI . "Crystal Structure Of Red Flour Beetle Nr2e1/tlx" . . . . . 98.92 573 99.73 99.73 0.00e+00 . . . . 4354 1 183 no PDB 4XAJ . "Crystal Structure Of Human Nr2e1/tlx" . . . . . 98.92 576 99.73 99.73 0.00e+00 . . . . 4354 1 184 no PDB 5C7R . "Revealing Surface Waters On An Antifreeze Protein By Fusion Protein Crystallography" . . . . . 98.92 444 98.91 98.91 0.00e+00 . . . . 4354 1 185 no PDB 5CL1 . "Complex Structure Of Norrin With Human Frizzled 4" . . . . . 98.92 483 99.73 99.73 0.00e+00 . . . . 4354 1 186 no PDB 5DFM . "Structure Of Tetrahymena Telomerase P19 Fused To Mbp" . . . . . 98.92 534 98.91 98.91 0.00e+00 . . . . 4354 1 187 no PDB 5DIS . "Crystal Structure Of A Crm1-rangtp-spn1 Export Complex Bound To A 113 Amino Acid Fg-repeat Containing Fragment Of Nup214" . . . . . 97.84 479 99.17 99.17 0.00e+00 . . . . 4354 1 188 no DBJ BAB38440 . "periplasmic maltose-binding protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 396 99.73 99.73 0.00e+00 . . . . 4354 1 189 no DBJ BAE78036 . "maltose transporter subunit [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 396 99.73 99.73 0.00e+00 . . . . 4354 1 190 no DBJ BAG79849 . "maltose ABC transporter substrate binding component [Escherichia coli SE11]" . . . . . 100.00 396 99.73 99.73 0.00e+00 . . . . 4354 1 191 no DBJ BAI28296 . "periplasmic maltose-binding protein MalE [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 396 99.73 99.73 0.00e+00 . . . . 4354 1 192 no DBJ BAI33473 . "periplasmic maltose-binding protein MalE [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 396 99.73 99.73 0.00e+00 . . . . 4354 1 193 no EMBL CAP78494 . "Maltose-binding periplasmic protein [Escherichia coli LF82]" . . . . . 100.00 396 98.65 99.46 0.00e+00 . . . . 4354 1 194 no EMBL CAQ34383 . "malE, subunit of maltose ABC transporter [Escherichia coli BL21(DE3)]" . . . . . 100.00 396 99.73 99.73 0.00e+00 . . . . 4354 1 195 no EMBL CAR01012 . "maltose transporter subunit ; periplasmic-binding component of ABC superfamily [Escherichia coli IAI1]" . . . . . 100.00 396 99.73 99.73 0.00e+00 . . . . 4354 1 196 no EMBL CAR05669 . "maltose transporter subunit ; periplasmic-binding component of ABC superfamily [Escherichia coli S88]" . . . . . 100.00 396 98.65 99.46 0.00e+00 . . . . 4354 1 197 no EMBL CAR10711 . "maltose transporter subunit ; periplasmic-binding component of ABC superfamily [Escherichia coli ED1a]" . . . . . 100.00 396 98.65 99.46 0.00e+00 . . . . 4354 1 198 no GB AAB59056 . "periplasmic maltose-binding protein [Escherichia coli]" . . . . . 100.00 396 99.73 99.73 0.00e+00 . . . . 4354 1 199 no GB AAB86559 . "maltose binding protein-lacZ alpha peptide fusion protein precursor [Shuttle vector pMAL-pIII]" . . . . . 98.92 482 99.73 99.73 0.00e+00 . . . . 4354 1 200 no GB AAB87675 . "maltose binding protein-lacZ-alpha fusion protein [Expression vector pMal-X]" . . . . . 98.38 496 100.00 100.00 0.00e+00 . . . . 4354 1 201 no GB AAC43128 . "periplasmic maltose-binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 396 99.73 99.73 0.00e+00 . . . . 4354 1 202 no GB AAC77004 . "maltose transporter subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 396 99.73 99.73 0.00e+00 . . . . 4354 1 203 no REF NP_313044 . "maltose ABC transporter periplasmic protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 396 99.73 99.73 0.00e+00 . . . . 4354 1 204 no REF NP_418458 . "maltose transporter subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 396 99.73 99.73 0.00e+00 . . . . 4354 1 205 no REF NP_709885 . "maltose ABC transporter substrate-binding protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 396 99.46 99.46 0.00e+00 . . . . 4354 1 206 no REF WP_000367925 . "hypothetical protein [Escherichia coli]" . . . . . 50.81 188 99.47 100.00 1.50e-127 . . . . 4354 1 207 no REF WP_000695369 . "MULTISPECIES: sugar ABC transporter substrate-binding protein [Enterobacteriaceae]" . . . . . 100.00 396 99.73 99.73 0.00e+00 . . . . 4354 1 208 no SP P0AEX9 . "RecName: Full=Maltose-binding periplasmic protein; AltName: Full=MBP; AltName: Full=MMBP; AltName: Full=Maltodextrin-binding pr" . . . . . 100.00 396 99.73 99.73 0.00e+00 . . . . 4354 1 209 no SP P0AEY0 . "RecName: Full=Maltose-binding periplasmic protein; AltName: Full=MBP; AltName: Full=MMBP; AltName: Full=Maltodextrin-binding pr" . . . . . 100.00 396 99.73 99.73 0.00e+00 . . . . 4354 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'E. coli maltose binding protein' common 4354 1 MBP abbreviation 4354 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 . LYS . 4354 1 2 . THR . 4354 1 3 . GLU . 4354 1 4 . GLU . 4354 1 5 . GLY . 4354 1 6 . LYS . 4354 1 7 . LEU . 4354 1 8 . VAL . 4354 1 9 . ILE . 4354 1 10 . TRP . 4354 1 11 . ILE . 4354 1 12 . ASN . 4354 1 13 . GLY . 4354 1 14 . ASP . 4354 1 15 . LYS . 4354 1 16 . GLY . 4354 1 17 . TYR . 4354 1 18 . ASN . 4354 1 19 . GLY . 4354 1 20 . LEU . 4354 1 21 . ALA . 4354 1 22 . GLU . 4354 1 23 . VAL . 4354 1 24 . GLY . 4354 1 25 . LYS . 4354 1 26 . LYS . 4354 1 27 . PHE . 4354 1 28 . GLU . 4354 1 29 . LYS . 4354 1 30 . ASP . 4354 1 31 . THR . 4354 1 32 . GLY . 4354 1 33 . ILE . 4354 1 34 . LYS . 4354 1 35 . VAL . 4354 1 36 . THR . 4354 1 37 . VAL . 4354 1 38 . GLU . 4354 1 39 . HIS . 4354 1 40 . PRO . 4354 1 41 . ASP . 4354 1 42 . LYS . 4354 1 43 . LEU . 4354 1 44 . GLU . 4354 1 45 . GLU . 4354 1 46 . LYS . 4354 1 47 . PHE . 4354 1 48 . PRO . 4354 1 49 . GLN . 4354 1 50 . VAL . 4354 1 51 . ALA . 4354 1 52 . ALA . 4354 1 53 . THR . 4354 1 54 . GLY . 4354 1 55 . ASP . 4354 1 56 . GLY . 4354 1 57 . PRO . 4354 1 58 . ASP . 4354 1 59 . ILE . 4354 1 60 . ILE . 4354 1 61 . PHE . 4354 1 62 . TRP . 4354 1 63 . ALA . 4354 1 64 . HIS . 4354 1 65 . ASP . 4354 1 66 . ARG . 4354 1 67 . PHE . 4354 1 68 . GLY . 4354 1 69 . GLY . 4354 1 70 . TYR . 4354 1 71 . ALA . 4354 1 72 . GLN . 4354 1 73 . SER . 4354 1 74 . GLY . 4354 1 75 . LEU . 4354 1 76 . LEU . 4354 1 77 . ALA . 4354 1 78 . GLU . 4354 1 79 . ILE . 4354 1 80 . THR . 4354 1 81 . PRO . 4354 1 82 . ASP . 4354 1 83 . LYS . 4354 1 84 . ALA . 4354 1 85 . PHE . 4354 1 86 . GLN . 4354 1 87 . ASP . 4354 1 88 . LYS . 4354 1 89 . LEU . 4354 1 90 . TYR . 4354 1 91 . PRO . 4354 1 92 . PHE . 4354 1 93 . THR . 4354 1 94 . TRP . 4354 1 95 . ASP . 4354 1 96 . ALA . 4354 1 97 . VAL . 4354 1 98 . ARG . 4354 1 99 . TYR . 4354 1 100 . ASN . 4354 1 101 . GLY . 4354 1 102 . LYS . 4354 1 103 . LEU . 4354 1 104 . ILE . 4354 1 105 . ALA . 4354 1 106 . TYR . 4354 1 107 . PRO . 4354 1 108 . ILE . 4354 1 109 . ALA . 4354 1 110 . VAL . 4354 1 111 . GLU . 4354 1 112 . ALA . 4354 1 113 . LEU . 4354 1 114 . SER . 4354 1 115 . LEU . 4354 1 116 . ILE . 4354 1 117 . TYR . 4354 1 118 . ASN . 4354 1 119 . LYS . 4354 1 120 . ASP . 4354 1 121 . LEU . 4354 1 122 . LEU . 4354 1 123 . PRO . 4354 1 124 . ASN . 4354 1 125 . PRO . 4354 1 126 . PRO . 4354 1 127 . LYS . 4354 1 128 . THR . 4354 1 129 . TRP . 4354 1 130 . GLU . 4354 1 131 . GLU . 4354 1 132 . ILE . 4354 1 133 . PRO . 4354 1 134 . ALA . 4354 1 135 . LEU . 4354 1 136 . ASP . 4354 1 137 . LYS . 4354 1 138 . GLU . 4354 1 139 . LEU . 4354 1 140 . LYS . 4354 1 141 . ALA . 4354 1 142 . LYS . 4354 1 143 . GLY . 4354 1 144 . LYS . 4354 1 145 . SER . 4354 1 146 . ALA . 4354 1 147 . LEU . 4354 1 148 . MET . 4354 1 149 . PHE . 4354 1 150 . ASN . 4354 1 151 . LEU . 4354 1 152 . GLN . 4354 1 153 . GLU . 4354 1 154 . PRO . 4354 1 155 . TYR . 4354 1 156 . PHE . 4354 1 157 . THR . 4354 1 158 . TRP . 4354 1 159 . PRO . 4354 1 160 . LEU . 4354 1 161 . ILE . 4354 1 162 . ALA . 4354 1 163 . ALA . 4354 1 164 . ASP . 4354 1 165 . GLY . 4354 1 166 . GLY . 4354 1 167 . TYR . 4354 1 168 . ALA . 4354 1 169 . PHE . 4354 1 170 . LYS . 4354 1 171 . TYR . 4354 1 172 . GLU . 4354 1 173 . ASN . 4354 1 174 . GLY . 4354 1 175 . LYS . 4354 1 176 . TYR . 4354 1 177 . ASP . 4354 1 178 . ILE . 4354 1 179 . LYS . 4354 1 180 . ASP . 4354 1 181 . VAL . 4354 1 182 . GLY . 4354 1 183 . VAL . 4354 1 184 . ASP . 4354 1 185 . ASN . 4354 1 186 . ALA . 4354 1 187 . GLY . 4354 1 188 . ALA . 4354 1 189 . LYS . 4354 1 190 . ALA . 4354 1 191 . GLY . 4354 1 192 . LEU . 4354 1 193 . THR . 4354 1 194 . PHE . 4354 1 195 . LEU . 4354 1 196 . VAL . 4354 1 197 . ASP . 4354 1 198 . LEU . 4354 1 199 . ILE . 4354 1 200 . LYS . 4354 1 201 . ASN . 4354 1 202 . LYS . 4354 1 203 . HIS . 4354 1 204 . MET . 4354 1 205 . ASN . 4354 1 206 . ALA . 4354 1 207 . ASP . 4354 1 208 . THR . 4354 1 209 . ASP . 4354 1 210 . TYR . 4354 1 211 . SER . 4354 1 212 . ILE . 4354 1 213 . ALA . 4354 1 214 . GLU . 4354 1 215 . ALA . 4354 1 216 . ALA . 4354 1 217 . PHE . 4354 1 218 . ASN . 4354 1 219 . LYS . 4354 1 220 . GLY . 4354 1 221 . GLU . 4354 1 222 . THR . 4354 1 223 . ALA . 4354 1 224 . MET . 4354 1 225 . THR . 4354 1 226 . ILE . 4354 1 227 . ASN . 4354 1 228 . GLY . 4354 1 229 . PRO . 4354 1 230 . TRP . 4354 1 231 . ALA . 4354 1 232 . TRP . 4354 1 233 . SER . 4354 1 234 . ASN . 4354 1 235 . ILE . 4354 1 236 . ASP . 4354 1 237 . THR . 4354 1 238 . SER . 4354 1 239 . LYS . 4354 1 240 . VAL . 4354 1 241 . ASN . 4354 1 242 . TYR . 4354 1 243 . GLY . 4354 1 244 . VAL . 4354 1 245 . THR . 4354 1 246 . VAL . 4354 1 247 . LEU . 4354 1 248 . PRO . 4354 1 249 . THR . 4354 1 250 . PHE . 4354 1 251 . LYS . 4354 1 252 . GLY . 4354 1 253 . GLN . 4354 1 254 . PRO . 4354 1 255 . SER . 4354 1 256 . LYS . 4354 1 257 . PRO . 4354 1 258 . PHE . 4354 1 259 . VAL . 4354 1 260 . GLY . 4354 1 261 . VAL . 4354 1 262 . LEU . 4354 1 263 . SER . 4354 1 264 . ALA . 4354 1 265 . GLY . 4354 1 266 . ILE . 4354 1 267 . ASN . 4354 1 268 . ALA . 4354 1 269 . ALA . 4354 1 270 . SER . 4354 1 271 . PRO . 4354 1 272 . ASN . 4354 1 273 . LYS . 4354 1 274 . GLU . 4354 1 275 . LEU . 4354 1 276 . ALA . 4354 1 277 . LYS . 4354 1 278 . GLU . 4354 1 279 . PHE . 4354 1 280 . LEU . 4354 1 281 . GLU . 4354 1 282 . ASN . 4354 1 283 . TYR . 4354 1 284 . LEU . 4354 1 285 . LEU . 4354 1 286 . THR . 4354 1 287 . ASP . 4354 1 288 . GLU . 4354 1 289 . GLY . 4354 1 290 . LEU . 4354 1 291 . GLU . 4354 1 292 . ALA . 4354 1 293 . VAL . 4354 1 294 . ASN . 4354 1 295 . LYS . 4354 1 296 . ASP . 4354 1 297 . LYS . 4354 1 298 . PRO . 4354 1 299 . LEU . 4354 1 300 . GLY . 4354 1 301 . ALA . 4354 1 302 . VAL . 4354 1 303 . ALA . 4354 1 304 . LEU . 4354 1 305 . LYS . 4354 1 306 . SER . 4354 1 307 . TYR . 4354 1 308 . GLU . 4354 1 309 . GLU . 4354 1 310 . GLU . 4354 1 311 . LEU . 4354 1 312 . ALA . 4354 1 313 . LYS . 4354 1 314 . ASP . 4354 1 315 . PRO . 4354 1 316 . ARG . 4354 1 317 . ILE . 4354 1 318 . ALA . 4354 1 319 . ALA . 4354 1 320 . THR . 4354 1 321 . MET . 4354 1 322 . GLU . 4354 1 323 . ASN . 4354 1 324 . ALA . 4354 1 325 . GLN . 4354 1 326 . LYS . 4354 1 327 . GLY . 4354 1 328 . GLU . 4354 1 329 . ILE . 4354 1 330 . MET . 4354 1 331 . PRO . 4354 1 332 . ASN . 4354 1 333 . ILE . 4354 1 334 . PRO . 4354 1 335 . GLN . 4354 1 336 . MET . 4354 1 337 . SER . 4354 1 338 . ALA . 4354 1 339 . PHE . 4354 1 340 . TRP . 4354 1 341 . TYR . 4354 1 342 . ALA . 4354 1 343 . VAL . 4354 1 344 . ARG . 4354 1 345 . THR . 4354 1 346 . ALA . 4354 1 347 . VAL . 4354 1 348 . ILE . 4354 1 349 . ASN . 4354 1 350 . ALA . 4354 1 351 . ALA . 4354 1 352 . SER . 4354 1 353 . GLY . 4354 1 354 . ARG . 4354 1 355 . GLN . 4354 1 356 . THR . 4354 1 357 . VAL . 4354 1 358 . ASP . 4354 1 359 . GLU . 4354 1 360 . ALA . 4354 1 361 . LEU . 4354 1 362 . LYS . 4354 1 363 . ASP . 4354 1 364 . ALA . 4354 1 365 . GLN . 4354 1 366 . THR . 4354 1 367 . ARG . 4354 1 368 . ILE . 4354 1 369 . THR . 4354 1 370 . LYS . 4354 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 . LYS 1 1 4354 1 . THR 2 2 4354 1 . GLU 3 3 4354 1 . GLU 4 4 4354 1 . GLY 5 5 4354 1 . LYS 6 6 4354 1 . LEU 7 7 4354 1 . VAL 8 8 4354 1 . ILE 9 9 4354 1 . TRP 10 10 4354 1 . ILE 11 11 4354 1 . ASN 12 12 4354 1 . GLY 13 13 4354 1 . ASP 14 14 4354 1 . LYS 15 15 4354 1 . GLY 16 16 4354 1 . TYR 17 17 4354 1 . ASN 18 18 4354 1 . GLY 19 19 4354 1 . LEU 20 20 4354 1 . ALA 21 21 4354 1 . GLU 22 22 4354 1 . VAL 23 23 4354 1 . GLY 24 24 4354 1 . LYS 25 25 4354 1 . LYS 26 26 4354 1 . PHE 27 27 4354 1 . GLU 28 28 4354 1 . LYS 29 29 4354 1 . ASP 30 30 4354 1 . THR 31 31 4354 1 . GLY 32 32 4354 1 . ILE 33 33 4354 1 . LYS 34 34 4354 1 . VAL 35 35 4354 1 . THR 36 36 4354 1 . VAL 37 37 4354 1 . GLU 38 38 4354 1 . HIS 39 39 4354 1 . PRO 40 40 4354 1 . ASP 41 41 4354 1 . LYS 42 42 4354 1 . LEU 43 43 4354 1 . GLU 44 44 4354 1 . GLU 45 45 4354 1 . LYS 46 46 4354 1 . PHE 47 47 4354 1 . PRO 48 48 4354 1 . GLN 49 49 4354 1 . VAL 50 50 4354 1 . ALA 51 51 4354 1 . ALA 52 52 4354 1 . THR 53 53 4354 1 . GLY 54 54 4354 1 . ASP 55 55 4354 1 . GLY 56 56 4354 1 . PRO 57 57 4354 1 . ASP 58 58 4354 1 . ILE 59 59 4354 1 . ILE 60 60 4354 1 . PHE 61 61 4354 1 . TRP 62 62 4354 1 . ALA 63 63 4354 1 . HIS 64 64 4354 1 . ASP 65 65 4354 1 . ARG 66 66 4354 1 . PHE 67 67 4354 1 . GLY 68 68 4354 1 . GLY 69 69 4354 1 . TYR 70 70 4354 1 . ALA 71 71 4354 1 . GLN 72 72 4354 1 . SER 73 73 4354 1 . GLY 74 74 4354 1 . LEU 75 75 4354 1 . LEU 76 76 4354 1 . ALA 77 77 4354 1 . GLU 78 78 4354 1 . ILE 79 79 4354 1 . THR 80 80 4354 1 . PRO 81 81 4354 1 . ASP 82 82 4354 1 . LYS 83 83 4354 1 . ALA 84 84 4354 1 . PHE 85 85 4354 1 . GLN 86 86 4354 1 . ASP 87 87 4354 1 . LYS 88 88 4354 1 . LEU 89 89 4354 1 . TYR 90 90 4354 1 . PRO 91 91 4354 1 . PHE 92 92 4354 1 . THR 93 93 4354 1 . TRP 94 94 4354 1 . ASP 95 95 4354 1 . ALA 96 96 4354 1 . VAL 97 97 4354 1 . ARG 98 98 4354 1 . TYR 99 99 4354 1 . ASN 100 100 4354 1 . GLY 101 101 4354 1 . LYS 102 102 4354 1 . LEU 103 103 4354 1 . ILE 104 104 4354 1 . ALA 105 105 4354 1 . TYR 106 106 4354 1 . PRO 107 107 4354 1 . ILE 108 108 4354 1 . ALA 109 109 4354 1 . VAL 110 110 4354 1 . GLU 111 111 4354 1 . ALA 112 112 4354 1 . LEU 113 113 4354 1 . SER 114 114 4354 1 . LEU 115 115 4354 1 . ILE 116 116 4354 1 . TYR 117 117 4354 1 . ASN 118 118 4354 1 . LYS 119 119 4354 1 . ASP 120 120 4354 1 . LEU 121 121 4354 1 . LEU 122 122 4354 1 . PRO 123 123 4354 1 . ASN 124 124 4354 1 . PRO 125 125 4354 1 . PRO 126 126 4354 1 . LYS 127 127 4354 1 . THR 128 128 4354 1 . TRP 129 129 4354 1 . GLU 130 130 4354 1 . GLU 131 131 4354 1 . ILE 132 132 4354 1 . PRO 133 133 4354 1 . ALA 134 134 4354 1 . LEU 135 135 4354 1 . ASP 136 136 4354 1 . LYS 137 137 4354 1 . GLU 138 138 4354 1 . LEU 139 139 4354 1 . LYS 140 140 4354 1 . ALA 141 141 4354 1 . LYS 142 142 4354 1 . GLY 143 143 4354 1 . LYS 144 144 4354 1 . SER 145 145 4354 1 . ALA 146 146 4354 1 . LEU 147 147 4354 1 . MET 148 148 4354 1 . PHE 149 149 4354 1 . ASN 150 150 4354 1 . LEU 151 151 4354 1 . GLN 152 152 4354 1 . GLU 153 153 4354 1 . PRO 154 154 4354 1 . TYR 155 155 4354 1 . PHE 156 156 4354 1 . THR 157 157 4354 1 . TRP 158 158 4354 1 . PRO 159 159 4354 1 . LEU 160 160 4354 1 . ILE 161 161 4354 1 . ALA 162 162 4354 1 . ALA 163 163 4354 1 . ASP 164 164 4354 1 . GLY 165 165 4354 1 . GLY 166 166 4354 1 . TYR 167 167 4354 1 . ALA 168 168 4354 1 . PHE 169 169 4354 1 . LYS 170 170 4354 1 . TYR 171 171 4354 1 . GLU 172 172 4354 1 . ASN 173 173 4354 1 . GLY 174 174 4354 1 . LYS 175 175 4354 1 . TYR 176 176 4354 1 . ASP 177 177 4354 1 . ILE 178 178 4354 1 . LYS 179 179 4354 1 . ASP 180 180 4354 1 . VAL 181 181 4354 1 . GLY 182 182 4354 1 . VAL 183 183 4354 1 . ASP 184 184 4354 1 . ASN 185 185 4354 1 . ALA 186 186 4354 1 . GLY 187 187 4354 1 . ALA 188 188 4354 1 . LYS 189 189 4354 1 . ALA 190 190 4354 1 . GLY 191 191 4354 1 . LEU 192 192 4354 1 . THR 193 193 4354 1 . PHE 194 194 4354 1 . LEU 195 195 4354 1 . VAL 196 196 4354 1 . ASP 197 197 4354 1 . LEU 198 198 4354 1 . ILE 199 199 4354 1 . LYS 200 200 4354 1 . ASN 201 201 4354 1 . LYS 202 202 4354 1 . HIS 203 203 4354 1 . MET 204 204 4354 1 . ASN 205 205 4354 1 . ALA 206 206 4354 1 . ASP 207 207 4354 1 . THR 208 208 4354 1 . ASP 209 209 4354 1 . TYR 210 210 4354 1 . SER 211 211 4354 1 . ILE 212 212 4354 1 . ALA 213 213 4354 1 . GLU 214 214 4354 1 . ALA 215 215 4354 1 . ALA 216 216 4354 1 . PHE 217 217 4354 1 . ASN 218 218 4354 1 . LYS 219 219 4354 1 . GLY 220 220 4354 1 . GLU 221 221 4354 1 . THR 222 222 4354 1 . ALA 223 223 4354 1 . MET 224 224 4354 1 . THR 225 225 4354 1 . ILE 226 226 4354 1 . ASN 227 227 4354 1 . GLY 228 228 4354 1 . PRO 229 229 4354 1 . TRP 230 230 4354 1 . ALA 231 231 4354 1 . TRP 232 232 4354 1 . SER 233 233 4354 1 . ASN 234 234 4354 1 . ILE 235 235 4354 1 . ASP 236 236 4354 1 . THR 237 237 4354 1 . SER 238 238 4354 1 . LYS 239 239 4354 1 . VAL 240 240 4354 1 . ASN 241 241 4354 1 . TYR 242 242 4354 1 . GLY 243 243 4354 1 . VAL 244 244 4354 1 . THR 245 245 4354 1 . VAL 246 246 4354 1 . LEU 247 247 4354 1 . PRO 248 248 4354 1 . THR 249 249 4354 1 . PHE 250 250 4354 1 . LYS 251 251 4354 1 . GLY 252 252 4354 1 . GLN 253 253 4354 1 . PRO 254 254 4354 1 . SER 255 255 4354 1 . LYS 256 256 4354 1 . PRO 257 257 4354 1 . PHE 258 258 4354 1 . VAL 259 259 4354 1 . GLY 260 260 4354 1 . VAL 261 261 4354 1 . LEU 262 262 4354 1 . SER 263 263 4354 1 . ALA 264 264 4354 1 . GLY 265 265 4354 1 . ILE 266 266 4354 1 . ASN 267 267 4354 1 . ALA 268 268 4354 1 . ALA 269 269 4354 1 . SER 270 270 4354 1 . PRO 271 271 4354 1 . ASN 272 272 4354 1 . LYS 273 273 4354 1 . GLU 274 274 4354 1 . LEU 275 275 4354 1 . ALA 276 276 4354 1 . LYS 277 277 4354 1 . GLU 278 278 4354 1 . PHE 279 279 4354 1 . LEU 280 280 4354 1 . GLU 281 281 4354 1 . ASN 282 282 4354 1 . TYR 283 283 4354 1 . LEU 284 284 4354 1 . LEU 285 285 4354 1 . THR 286 286 4354 1 . ASP 287 287 4354 1 . GLU 288 288 4354 1 . GLY 289 289 4354 1 . LEU 290 290 4354 1 . GLU 291 291 4354 1 . ALA 292 292 4354 1 . VAL 293 293 4354 1 . ASN 294 294 4354 1 . LYS 295 295 4354 1 . ASP 296 296 4354 1 . LYS 297 297 4354 1 . PRO 298 298 4354 1 . LEU 299 299 4354 1 . GLY 300 300 4354 1 . ALA 301 301 4354 1 . VAL 302 302 4354 1 . ALA 303 303 4354 1 . LEU 304 304 4354 1 . LYS 305 305 4354 1 . SER 306 306 4354 1 . TYR 307 307 4354 1 . GLU 308 308 4354 1 . GLU 309 309 4354 1 . GLU 310 310 4354 1 . LEU 311 311 4354 1 . ALA 312 312 4354 1 . LYS 313 313 4354 1 . ASP 314 314 4354 1 . PRO 315 315 4354 1 . ARG 316 316 4354 1 . ILE 317 317 4354 1 . ALA 318 318 4354 1 . ALA 319 319 4354 1 . THR 320 320 4354 1 . MET 321 321 4354 1 . GLU 322 322 4354 1 . ASN 323 323 4354 1 . ALA 324 324 4354 1 . GLN 325 325 4354 1 . LYS 326 326 4354 1 . GLY 327 327 4354 1 . GLU 328 328 4354 1 . ILE 329 329 4354 1 . MET 330 330 4354 1 . PRO 331 331 4354 1 . ASN 332 332 4354 1 . ILE 333 333 4354 1 . PRO 334 334 4354 1 . GLN 335 335 4354 1 . MET 336 336 4354 1 . SER 337 337 4354 1 . ALA 338 338 4354 1 . PHE 339 339 4354 1 . TRP 340 340 4354 1 . TYR 341 341 4354 1 . ALA 342 342 4354 1 . VAL 343 343 4354 1 . ARG 344 344 4354 1 . THR 345 345 4354 1 . ALA 346 346 4354 1 . VAL 347 347 4354 1 . ILE 348 348 4354 1 . ASN 349 349 4354 1 . ALA 350 350 4354 1 . ALA 351 351 4354 1 . SER 352 352 4354 1 . GLY 353 353 4354 1 . ARG 354 354 4354 1 . GLN 355 355 4354 1 . THR 356 356 4354 1 . VAL 357 357 4354 1 . ASP 358 358 4354 1 . GLU 359 359 4354 1 . ALA 360 360 4354 1 . LEU 361 361 4354 1 . LYS 362 362 4354 1 . ASP 363 363 4354 1 . ALA 364 364 4354 1 . GLN 365 365 4354 1 . THR 366 366 4354 1 . ARG 367 367 4354 1 . ILE 368 368 4354 1 . THR 369 369 4354 1 . LYS 370 370 4354 1 stop_ save_ save_BCD _Entity.Sf_category entity _Entity.Sf_framecode BCD _Entity.Entry_ID 4354 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name BCD _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID BCD _Entity.Nonpolymer_comp_label $chem_comp_BCD _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . BCD . 4354 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4354 _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 $MBP . 562 organism . 'Escherichia coli' E.coli . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4354 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 4354 _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 $MBP . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pmal-c0 . . . . . . 4354 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_BCD _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_BCD _Chem_comp.Entry_ID 4354 _Chem_comp.ID BCD _Chem_comp.Provenance . _Chem_comp.Name BETA-CYCLODEXTRIN _Chem_comp.Type SACCHARIDE _Chem_comp.BMRB_code . _Chem_comp.PDB_code BCD _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code BCD _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms CYCLO-HEPTA-AMYLOSE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C42 H70 O35' _Chem_comp.Formula_weight 1134.984 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1DMB _Chem_comp.Processing_site PDBE _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 17:08:06 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 4354 BCD C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4354 BCD InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1 InChI InChI 1.03 4354 BCD O1C8C(O)C(O)C(OC7C(O)C(O)C(OC6C(O)C(O)C(OC5C(O)C(O)C(OC4C(O)C(O)C(OC3C(O)C(O)C(OC2C(OC1C(O)C2O)CO)OC3CO)OC4CO)OC5CO)OC6CO)OC7CO)OC8CO SMILES ACDLabs 10.04 4354 BCD OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CO)O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@@H]8CO)O[C@H]1[C@H](O)[C@H]2O SMILES_CANONICAL CACTVS 3.341 4354 BCD OC[CH]1O[CH]2O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O[CH]5CO)O[CH]6[CH](O)[CH](O)[CH](O[CH]6CO)O[CH]7[CH](O)[CH](O)[CH](O[CH]7CO)O[CH]8[CH](O)[CH](O)[CH](O[CH]8CO)O[CH]1[CH](O)[CH]2O SMILES CACTVS 3.341 4354 BCD WHGYBXFWUBPSRW-FOUAGVGXSA-N InChIKey InChI 1.03 4354 BCD stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (non-preferred name)' 'SYSTEMATIC NAME' ACDLabs 10.04 4354 BCD stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C11 . C11 . . C . . R 0 . . . . no no . . . . -10.695 . -3.048 . 2.018 . 1.372 1.527 1.366 1 . 4354 BCD C21 . C21 . . C . . R 0 . . . . no no . . . . -9.822 . -2.557 . 0.835 . 2.534 2.237 2.070 2 . 4354 BCD O21 . O21 . . O . . N 0 . . . . no no . . . . -10.292 . -3.169 . -0.384 . 3.251 1.275 2.845 3 . 4354 BCD C31 . C31 . . C . . R 0 . . . . no no . . . . -8.347 . -2.840 . 1.090 . 2.035 3.357 2.989 4 . 4354 BCD O31 . O31 . . O . . N 0 . . . . no no . . . . -7.539 . -2.239 . 0.055 . 1.561 4.452 2.216 5 . 4354 BCD C41 . C41 . . C . . S 0 . . . . no no . . . . -7.919 . -2.296 . 2.440 . 0.920 2.853 3.923 6 . 4354 BCD O41 . O41 . . O . . N 0 . . . . no no . . . . -6.611 . -2.820 . 2.694 . 1.584 2.003 4.870 7 . 4354 BCD C51 . C51 . . C . . R 0 . . . . no no . . . . -8.844 . -2.756 . 3.560 . -0.168 2.083 3.147 8 . 4354 BCD O51 . O51 . . O . . N 0 . . . . no no . . . . -10.233 . -2.402 . 3.204 . 0.407 1.069 2.316 9 . 4354 BCD C61 . C61 . . C . . N 0 . . . . no no . . . . -8.606 . -2.123 . 4.910 . -1.128 2.969 2.355 10 . 4354 BCD O61 . O61 . . O . . N 0 . . . . no no . . . . -9.468 . -2.752 . 5.872 . -2.060 2.139 1.688 11 . 4354 BCD C12 . C12 . . C . . R 0 . . . . no no . . . . -5.613 . -1.953 . 3.133 . 0.876 1.701 6.073 12 . 4354 BCD C22 . C22 . . C . . R 0 . . . . no no . . . . -4.333 . -2.133 . 2.309 . 1.889 1.335 7.158 13 . 4354 BCD O22 . O22 . . O . . N 0 . . . . no no . . . . -4.676 . -1.971 . 0.924 . 2.831 2.391 7.324 14 . 4354 BCD C32 . C32 . . C . . R 0 . . . . no no . . . . -3.686 . -3.461 . 2.647 . 2.632 0.052 6.793 15 . 4354 BCD O32 . O32 . . O . . N 0 . . . . no no . . . . -2.455 . -3.571 . 1.909 . 3.436 -0.335 7.910 16 . 4354 BCD C42 . C42 . . C . . S 0 . . . . no no . . . . -3.395 . -3.532 . 4.144 . 1.652 -1.088 6.466 17 . 4354 BCD O42 . O42 . . O . . N 0 . . . . no no . . . . -2.841 . -4.818 . 4.436 . 2.454 -2.131 5.897 18 . 4354 BCD C52 . C52 . . C . . R 0 . . . . no no . . . . -4.686 . -3.107 . 4.929 . 0.563 -0.604 5.489 19 . 4354 BCD O52 . O52 . . O . . N 0 . . . . no no . . . . -5.344 . -2.160 . 4.511 . -0.042 0.616 5.943 20 . 4354 BCD C62 . C62 . . C . . N 0 . . . . no no . . . . -4.549 . -3.315 . 6.415 . -0.595 -1.583 5.323 21 . 4354 BCD O62 . O62 . . O . . N 0 . . . . no no . . . . -5.883 . -3.621 . 6.808 . -1.194 -1.785 6.588 22 . 4354 BCD C13 . C13 . . C . . R 0 . . . . no no . . . . -1.517 . -5.001 . 4.857 . 1.980 -3.465 6.103 23 . 4354 BCD C23 . C23 . . C . . R 0 . . . . no no . . . . -0.932 . -6.211 . 4.128 . 3.090 -4.328 6.711 24 . 4354 BCD O23 . O23 . . O . . N 0 . . . . no no . . . . -1.137 . -6.034 . 2.698 . 3.603 -3.679 7.869 25 . 4354 BCD C33 . C33 . . C . . R 0 . . . . no no . . . . -1.625 . -7.480 . 4.573 . 4.211 -4.603 5.706 26 . 4354 BCD O33 . O33 . . O . . N 0 . . . . no no . . . . -1.047 . -8.602 . 3.875 . 5.103 -5.576 6.251 27 . 4354 BCD C43 . C43 . . C . . S 0 . . . . no no . . . . -1.553 . -7.642 . 6.070 . 3.624 -5.165 4.402 28 . 4354 BCD O43 . O43 . . O . . N 0 . . . . no no . . . . -2.369 . -8.742 . 6.418 . 4.694 -5.296 3.463 29 . 4354 BCD C53 . C53 . . C . . R 0 . . . . no no . . . . -2.142 . -6.400 . 6.742 . 2.540 -4.200 3.892 30 . 4354 BCD O53 . O53 . . O . . N 0 . . . . no no . . . . -1.493 . -5.234 . 6.262 . 1.517 -4.061 4.887 31 . 4354 BCD C63 . C63 . . C . . N 0 . . . . no no . . . . -1.916 . -6.454 . 8.275 . 1.848 -4.663 2.616 32 . 4354 BCD O63 . O63 . . O . . N 0 . . . . no no . . . . -2.099 . -5.298 . 8.983 . 1.238 -5.916 2.867 33 . 4354 BCD C14 . C14 . . C . . R 0 . . . . no no . . . . -1.964 . -9.647 . 7.437 . 4.612 -6.449 2.613 34 . 4354 BCD C24 . C24 . . C . . R 0 . . . . no no . . . . -1.402 . -10.903 . 6.699 . 5.441 -7.615 3.150 35 . 4354 BCD O24 . O24 . . O . . N 0 . . . . no no . . . . -0.248 . -10.584 . 5.947 . 4.963 -8.050 4.418 36 . 4354 BCD C34 . C34 . . C . . R 0 . . . . no no . . . . -2.519 . -11.412 . 5.791 . 6.910 -7.224 3.285 37 . 4354 BCD O34 . O34 . . O . . N 0 . . . . no no . . . . -2.054 . -12.478 . 4.960 . 7.701 -8.415 3.276 38 . 4354 BCD C44 . C44 . . C . . S 0 . . . . no no . . . . -3.690 . -11.818 . 6.656 . 7.377 -6.290 2.159 39 . 4354 BCD O44 . O44 . . O . . N 0 . . . . no no . . . . -4.781 . -12.155 . 5.775 . 7.471 -4.954 2.685 40 . 4354 BCD C54 . C54 . . C . . R 0 . . . . no no . . . . -4.138 . -10.630 . 7.509 . 6.407 -6.218 0.962 41 . 4354 BCD O54 . O54 . . O . . N 0 . . . . no no . . . . -3.073 . -10.004 . 8.199 . 5.018 -6.105 1.286 42 . 4354 BCD C64 . C64 . . C . . N 0 . . . . no no . . . . -5.102 . -11.149 . 8.634 . 6.575 -7.399 0.007 43 . 4354 BCD O64 . O64 . . O . . N 0 . . . . no no . . . . -5.390 . -10.038 . 9.471 . 7.898 -7.384 -0.495 44 . 4354 BCD C15 . C15 . . C . . R 0 . . . . no no . . . . -5.419 . -13.414 . 5.945 . 8.757 -4.655 3.248 45 . 4354 BCD C25 . C25 . . C . . R 0 . . . . no no . . . . -5.707 . -13.994 . 4.576 . 8.672 -3.349 4.040 46 . 4354 BCD O25 . O25 . . O . . N 0 . . . . no no . . . . -4.546 . -13.981 . 3.725 . 7.656 -3.446 5.034 47 . 4354 BCD C35 . C35 . . C . . R 0 . . . . no no . . . . -6.800 . -13.172 . 3.886 . 8.358 -2.175 3.114 48 . 4354 BCD O35 . O35 . . O . . N 0 . . . . no no . . . . -7.171 . -13.786 . 2.640 . 8.477 -0.963 3.858 49 . 4354 BCD C45 . C45 . . C . . S 0 . . . . no no . . . . -8.010 . -13.090 . 4.780 . 9.343 -2.144 1.936 50 . 4354 BCD O45 . O45 . . O . . N 0 . . . . no no . . . . -8.930 . -12.190 . 4.114 . 9.052 -1.133 0.964 51 . 4354 BCD C55 . C55 . . C . . R 0 . . . . no no . . . . -7.665 . -12.498 . 6.169 . 9.511 -3.526 1.279 52 . 4354 BCD O55 . O55 . . O . . N 0 . . . . no no . . . . -6.571 . -13.255 . 6.733 . 9.788 -4.533 2.260 53 . 4354 BCD C65 . C65 . . C . . N 0 . . . . no no . . . . -8.818 . -12.637 . 7.086 . 10.662 -3.535 0.277 54 . 4354 BCD O65 . O65 . . O . . N 0 . . . . no no . . . . -8.706 . -11.845 . 8.242 . 10.767 -4.834 -0.278 55 . 4354 BCD C16 . C16 . . C . . R 0 . . . . no no . . . . -10.304 . -12.590 . 4.018 . 7.733 -1.113 0.414 56 . 4354 BCD C26 . C26 . . C . . R 0 . . . . no no . . . . -10.713 . -12.447 . 2.599 . 7.802 -0.512 -0.996 57 . 4354 BCD O26 . O26 . . O . . N 0 . . . . no no . . . . -9.633 . -12.943 . 1.788 . 8.603 0.675 -0.976 58 . 4354 BCD C36 . C36 . . C . . R 0 . . . . no no . . . . -10.959 . -10.996 . 2.183 . 6.419 -0.104 -1.523 59 . 4354 BCD O36 . O36 . . O . . N 0 . . . . no no . . . . -11.798 . -11.037 . 0.979 . 6.298 -0.530 -2.880 60 . 4354 BCD C46 . C46 . . C . . S 0 . . . . no no . . . . -11.608 . -10.162 . 3.187 . 5.285 -0.726 -0.701 61 . 4354 BCD O46 . O46 . . O . . N 0 . . . . no no . . . . -11.342 . -8.781 . 2.766 . 4.043 -0.140 -1.114 62 . 4354 BCD C56 . C56 . . C . . R 0 . . . . no no . . . . -11.029 . -10.352 . 4.581 . 5.478 -0.409 0.795 63 . 4354 BCD O56 . O56 . . O . . N 0 . . . . no no . . . . -11.092 . -11.766 . 4.871 . 6.849 -0.311 1.195 64 . 4354 BCD C66 . C66 . . C . . N 0 . . . . no no . . . . -11.772 . -9.657 . 5.726 . 4.780 -1.437 1.685 65 . 4354 BCD O66 . O66 . . O . . N 0 . . . . no no . . . . -12.379 . -10.540 . 6.427 . 5.007 -1.091 3.040 66 . 4354 BCD C17 . C17 . . C . . R 0 . . . . no no . . . . -12.461 . -8.130 . 2.145 . 3.201 -1.018 -1.871 67 . 4354 BCD C27 . C27 . . C . . R 0 . . . . no no . . . . -12.023 . -7.621 . 0.792 . 2.164 -0.197 -2.630 68 . 4354 BCD O27 . O27 . . O . . N 0 . . . . no no . . . . -11.276 . -8.655 . 0.107 . 2.829 0.696 -3.520 69 . 4354 BCD C37 . C37 . . C . . R 0 . . . . no no . . . . -11.132 . -6.390 . 0.892 . 1.267 0.597 -1.679 70 . 4354 BCD O37 . O37 . . O . . N 0 . . . . no no . . . . -11.049 . -5.776 . -0.411 . 0.015 0.796 -2.340 71 . 4354 BCD C47 . C47 . . C . . S 0 . . . . no no . . . . -11.670 . -5.344 . 1.883 . 1.033 -0.130 -0.347 72 . 4354 BCD O47 . O47 . . O . . N 0 . . . . no no . . . . -10.554 . -4.443 . 2.051 . 1.925 0.422 0.636 73 . 4354 BCD C57 . C57 . . C . . R 0 . . . . no no . . . . -11.910 . -6.045 . 3.225 . 1.337 -1.640 -0.414 74 . 4354 BCD O57 . O57 . . O . . N 0 . . . . no no . . . . -12.888 . -7.112 . 3.002 . 2.571 -1.999 -1.048 75 . 4354 BCD C67 . C67 . . C . . N 0 . . . . no no . . . . -12.545 . -5.111 . 4.255 . 0.213 -2.429 -1.082 76 . 4354 BCD O67 . O67 . . O . . N 0 . . . . no no . . . . -11.847 . -5.338 . 5.480 . -0.971 -2.250 -0.328 77 . 4354 BCD H11 . H11 . . H . . N 0 . . . . no no . . . . -11.777 . -2.801 . 1.918 . 0.888 2.218 0.665 78 . 4354 BCD H21 . H21 . . H . . N 0 . . . . no no . . . . -9.916 . -1.450 . 0.732 . 3.229 2.628 1.319 79 . 4354 BCD HO21 . HO21 . . H . . N 0 . . . . no no . . . . -9.757 . -2.868 . -1.109 . 2.713 1.096 3.633 80 . 4354 BCD H31 . H31 . . H . . N 0 . . . . no no . . . . -8.201 . -3.945 . 1.083 . 2.874 3.720 3.595 81 . 4354 BCD HO31 . HO31 . . H . . N 0 . . . . no no . . . . -6.619 . -2.415 . 0.214 . 1.954 4.355 1.335 82 . 4354 BCD H41 . H41 . . H . . N 0 . . . . no no . . . . -7.945 . -1.181 . 2.415 . 0.473 3.705 4.451 83 . 4354 BCD H51 . H51 . . H . . N 0 . . . . no no . . . . -8.644 . -3.849 . 3.653 . -0.801 1.543 3.855 84 . 4354 BCD H611 . H611 . . H . . N 0 . . . . no no . . . . -7.533 . -2.154 . 5.213 . -0.573 3.552 1.620 85 . 4354 BCD H612 . H612 . . H . . N 0 . . . . no no . . . . -8.727 . -1.014 . 4.888 . -1.660 3.638 3.031 86 . 4354 BCD HO61 . HO61 . . H . . N 0 . . . . no no . . . . -9.318 . -2.353 . 6.721 . -2.391 2.639 0.922 87 . 4354 BCD H12 . H12 . . H . . N 0 . . . . no no . . . . -5.976 . -0.908 . 2.993 . 0.321 2.590 6.396 88 . 4354 BCD H22 . H22 . . H . . N 0 . . . . no no . . . . -3.563 . -1.364 . 2.551 . 1.379 1.198 8.120 89 . 4354 BCD HO22 . HO22 . . H . . N 0 . . . . no no . . . . -3.882 . -2.082 . 0.413 . 3.449 2.318 6.583 90 . 4354 BCD H32 . H32 . . H . . N 0 . . . . no no . . . . -4.372 . -4.296 . 2.375 . 3.329 0.222 5.964 91 . 4354 BCD HO32 . HO32 . . H . . N 0 . . . . no no . . . . -2.049 . -4.403 . 2.120 . 3.376 0.387 8.554 92 . 4354 BCD H42 . H42 . . H . . N 0 . . . . no no . . . . -2.618 . -2.809 . 4.487 . 1.204 -1.424 7.411 93 . 4354 BCD H52 . H52 . . H . . N 0 . . . . no no . . . . -5.459 . -3.852 . 4.630 . 0.998 -0.453 4.495 94 . 4354 BCD H621 . H621 . . H . . N 0 . . . . no no . . . . -3.787 . -4.072 . 6.714 . -0.222 -2.532 4.942 95 . 4354 BCD H622 . H622 . . H . . N 0 . . . . no no . . . . -4.081 . -2.466 . 6.965 . -1.330 -1.170 4.634 96 . 4354 BCD HO62 . HO62 . . H . . N 0 . . . . no no . . . . -5.796 . -3.752 . 7.744 . -0.919 -1.045 7.157 97 . 4354 BCD H13 . H13 . . H . . N 0 . . . . no no . . . . -0.915 . -4.091 . 4.626 . 1.134 -3.459 6.800 98 . 4354 BCD H23 . H23 . . H . . N 0 . . . . no no . . . . 0.155 . -6.293 . 4.362 . 2.669 -5.287 7.038 99 . 4354 BCD HO23 . HO23 . . H . . N 0 . . . . no no . . . . -0.773 . -6.785 . 2.245 . 4.569 -3.709 7.796 100 . 4354 BCD H33 . H33 . . H . . N 0 . . . . no no . . . . -2.708 . -7.424 . 4.316 . 4.809 -3.704 5.520 101 . 4354 BCD HO33 . HO33 . . H . . N 0 . . . . no no . . . . -1.482 . -9.398 . 4.154 . 5.651 -5.885 5.515 102 . 4354 BCD H43 . H43 . . H . . N 0 . . . . no no . . . . -0.495 . -7.789 . 6.392 . 3.183 -6.147 4.624 103 . 4354 BCD H53 . H53 . . H . . N 0 . . . . no no . . . . -3.232 . -6.373 . 6.509 . 2.978 -3.219 3.671 104 . 4354 BCD H631 . H631 . . H . . N 0 . . . . no no . . . . -2.551 . -7.258 . 8.712 . 2.579 -4.771 1.816 105 . 4354 BCD H632 . H632 . . H . . N 0 . . . . no no . . . . -0.896 . -6.855 . 8.483 . 1.085 -3.942 2.326 106 . 4354 BCD HO63 . HO63 . . H . . N 0 . . . . no no . . . . -1.960 . -5.331 . 9.922 . 0.316 -5.851 2.562 107 . 4354 BCD H14 . H14 . . H . . N 0 . . . . no no . . . . -1.201 . -9.198 . 8.115 . 3.565 -6.762 2.532 108 . 4354 BCD H24 . H24 . . H . . N 0 . . . . no no . . . . -1.093 . -11.684 . 7.432 . 5.349 -8.472 2.471 109 . 4354 BCD HO24 . HO24 . . H . . N 0 . . . . no no . . . . 0.093 . -11.348 . 5.498 . 5.618 -7.759 5.071 110 . 4354 BCD H34 . H34 . . H . . N 0 . . . . no no . . . . -2.853 . -10.605 . 5.097 . 7.079 -6.766 4.266 111 . 4354 BCD HO34 . HO34 . . H . . N 0 . . . . no no . . . . -2.749 . -12.794 . 4.395 . 7.765 -8.715 4.197 112 . 4354 BCD H44 . H44 . . H . . N 0 . . . . no no . . . . -3.401 . -12.671 . 7.313 . 8.362 -6.593 1.782 113 . 4354 BCD H54 . H54 . . H . . N 0 . . . . no no . . . . -4.608 . -9.905 . 6.804 . 6.639 -5.317 0.382 114 . 4354 BCD H641 . H641 . . H . . N 0 . . . . no no . . . . -6.016 . -11.647 . 8.234 . 5.873 -7.308 -0.821 115 . 4354 BCD H642 . H642 . . H . . N 0 . . . . no no . . . . -4.696 . -12.025 . 9.190 . 6.400 -8.333 0.539 116 . 4354 BCD HO64 . HO64 . . H . . N 0 . . . . no no . . . . -5.973 . -10.352 . 10.151 . 7.910 -6.775 -1.254 117 . 4354 BCD H15 . H15 . . H . . N 0 . . . . no no . . . . -4.762 . -14.134 . 6.486 . 9.038 -5.461 3.935 118 . 4354 BCD H25 . H25 . . H . . N 0 . . . . no no . . . . -6.029 . -15.050 . 4.732 . 9.619 -3.161 4.558 119 . 4354 BCD HO25 . HO25 . . H . . N 0 . . . . no no . . . . -4.726 . -14.344 . 2.866 . 7.799 -2.710 5.649 120 . 4354 BCD H35 . H35 . . H . . N 0 . . . . no no . . . . -6.408 . -12.147 . 3.686 . 7.318 -2.236 2.785 121 . 4354 BCD HO35 . HO35 . . H . . N 0 . . . . no no . . . . -7.848 . -13.276 . 2.212 . 8.849 -0.307 3.251 122 . 4354 BCD H45 . H45 . . H . . N 0 . . . . no no . . . . -8.430 . -14.109 . 4.947 . 10.320 -1.857 2.350 123 . 4354 BCD H55 . H55 . . H . . N 0 . . . . no no . . . . -7.401 . -11.421 . 6.047 . 8.614 -3.815 0.724 124 . 4354 BCD H651 . H651 . . H . . N 0 . . . . no no . . . . -9.775 . -12.428 . 6.553 . 11.596 -3.283 0.780 125 . 4354 BCD H652 . H652 . . H . . N 0 . . . . no no . . . . -8.985 . -13.706 . 7.352 . 10.468 -2.817 -0.520 126 . 4354 BCD HO65 . HO65 . . H . . N 0 . . . . no no . . . . -9.446 . -11.934 . 8.830 . 10.280 -4.824 -1.120 127 . 4354 BCD H16 . H16 . . H . . N 0 . . . . no no . . . . -10.447 . -13.647 . 4.340 . 7.335 -2.133 0.353 128 . 4354 BCD H26 . H26 . . H . . N 0 . . . . no no . . . . -11.667 . -13.007 . 2.465 . 8.314 -1.208 -1.670 129 . 4354 BCD HO26 . HO26 . . H . . N 0 . . . . no no . . . . -9.894 . -12.851 . 0.879 . 8.751 0.926 -1.902 130 . 4354 BCD H36 . H36 . . H . . N 0 . . . . no no . . . . -9.961 . -10.524 . 2.019 . 6.306 0.987 -1.541 131 . 4354 BCD HO36 . HO36 . . H . . N 0 . . . . no no . . . . -11.950 . -10.135 . 0.720 . 6.455 0.253 -3.429 132 . 4354 BCD H46 . H46 . . H . . N 0 . . . . no no . . . . -12.690 . -10.423 . 3.250 . 5.267 -1.813 -0.860 133 . 4354 BCD H56 . H56 . . H . . N 0 . . . . no no . . . . -10.008 . -9.903 . 4.545 . 5.032 0.565 1.019 134 . 4354 BCD H661 . H661 . . H . . N 0 . . . . no no . . . . -11.098 . -9.016 . 6.341 . 5.184 -2.432 1.495 135 . 4354 BCD H662 . H662 . . H . . N 0 . . . . no no . . . . -12.459 . -8.857 . 5.362 . 3.707 -1.434 1.488 136 . 4354 BCD HO66 . HO66 . . H . . N 0 . . . . no no . . . . -12.839 . -10.108 . 7.137 . 4.314 -1.527 3.564 137 . 4354 BCD H17 . H17 . . H . . N 0 . . . . no no . . . . -13.321 . -8.819 . 1.976 . 3.824 -1.547 -2.602 138 . 4354 BCD H27 . H27 . . H . . N 0 . . . . no no . . . . -12.948 . -7.344 . 0.234 . 1.552 -0.864 -3.249 139 . 4354 BCD HO27 . HO27 . . H . . N 0 . . . . no no . . . . -11.000 . -8.334 . -0.744 . 2.155 1.033 -4.131 140 . 4354 BCD H37 . H37 . . H . . N 0 . . . . no no . . . . -10.135 . -6.727 . 1.260 . 1.685 1.597 -1.513 141 . 4354 BCD HO37 . HO37 . . H . . N 0 . . . . no no . . . . -10.493 . -5.008 . -0.348 . -0.660 0.408 -1.765 142 . 4354 BCD H47 . H47 . . H . . N 0 . . . . no no . . . . -12.608 . -4.845 . 1.545 . -0.002 -0.001 -0.004 143 . 4354 BCD H57 . H57 . . H . . N 0 . . . . no no . . . . -10.924 . -6.406 . 3.601 . 1.420 -2.020 0.611 144 . 4354 BCD H671 . H671 . . H . . N 0 . . . . no no . . . . -12.552 . -4.041 . 3.939 . 0.469 -3.487 -1.108 145 . 4354 BCD H672 . H672 . . H . . N 0 . . . . no no . . . . -13.649 . -5.233 . 4.344 . 0.055 -2.062 -2.096 146 . 4354 BCD HO67 . HO67 . . H . . N 0 . . . . no no . . . . -12.241 . -4.757 . 6.120 . -1.670 -1.983 -0.950 147 . 4354 BCD stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C11 C21 no N 1 . 4354 BCD 2 . SING C11 O51 no N 2 . 4354 BCD 3 . SING C11 O47 no N 3 . 4354 BCD 4 . SING C11 H11 no N 4 . 4354 BCD 5 . SING C21 O21 no N 5 . 4354 BCD 6 . SING C21 C31 no N 6 . 4354 BCD 7 . SING C21 H21 no N 7 . 4354 BCD 8 . SING O21 HO21 no N 8 . 4354 BCD 9 . SING C31 O31 no N 9 . 4354 BCD 10 . SING C31 C41 no N 10 . 4354 BCD 11 . SING C31 H31 no N 11 . 4354 BCD 12 . SING O31 HO31 no N 12 . 4354 BCD 13 . SING C41 O41 no N 13 . 4354 BCD 14 . SING C41 C51 no N 14 . 4354 BCD 15 . SING C41 H41 no N 15 . 4354 BCD 16 . SING O41 C12 no N 16 . 4354 BCD 17 . SING C51 O51 no N 17 . 4354 BCD 18 . SING C51 C61 no N 18 . 4354 BCD 19 . SING C51 H51 no N 19 . 4354 BCD 20 . SING C61 O61 no N 20 . 4354 BCD 21 . SING C61 H611 no N 21 . 4354 BCD 22 . SING C61 H612 no N 22 . 4354 BCD 23 . SING O61 HO61 no N 23 . 4354 BCD 24 . SING C12 C22 no N 24 . 4354 BCD 25 . SING C12 O52 no N 25 . 4354 BCD 26 . SING C12 H12 no N 26 . 4354 BCD 27 . SING C22 O22 no N 27 . 4354 BCD 28 . SING C22 C32 no N 28 . 4354 BCD 29 . SING C22 H22 no N 29 . 4354 BCD 30 . SING O22 HO22 no N 30 . 4354 BCD 31 . SING C32 O32 no N 31 . 4354 BCD 32 . SING C32 C42 no N 32 . 4354 BCD 33 . SING C32 H32 no N 33 . 4354 BCD 34 . SING O32 HO32 no N 34 . 4354 BCD 35 . SING C42 O42 no N 35 . 4354 BCD 36 . SING C42 C52 no N 36 . 4354 BCD 37 . SING C42 H42 no N 37 . 4354 BCD 38 . SING O42 C13 no N 38 . 4354 BCD 39 . SING C52 O52 no N 39 . 4354 BCD 40 . SING C52 C62 no N 40 . 4354 BCD 41 . SING C52 H52 no N 41 . 4354 BCD 42 . SING C62 O62 no N 42 . 4354 BCD 43 . SING C62 H621 no N 43 . 4354 BCD 44 . SING C62 H622 no N 44 . 4354 BCD 45 . SING O62 HO62 no N 45 . 4354 BCD 46 . SING C13 C23 no N 46 . 4354 BCD 47 . SING C13 O53 no N 47 . 4354 BCD 48 . SING C13 H13 no N 48 . 4354 BCD 49 . SING C23 O23 no N 49 . 4354 BCD 50 . SING C23 C33 no N 50 . 4354 BCD 51 . SING C23 H23 no N 51 . 4354 BCD 52 . SING O23 HO23 no N 52 . 4354 BCD 53 . SING C33 O33 no N 53 . 4354 BCD 54 . SING C33 C43 no N 54 . 4354 BCD 55 . SING C33 H33 no N 55 . 4354 BCD 56 . SING O33 HO33 no N 56 . 4354 BCD 57 . SING C43 O43 no N 57 . 4354 BCD 58 . SING C43 C53 no N 58 . 4354 BCD 59 . SING C43 H43 no N 59 . 4354 BCD 60 . SING O43 C14 no N 60 . 4354 BCD 61 . SING C53 O53 no N 61 . 4354 BCD 62 . SING C53 C63 no N 62 . 4354 BCD 63 . SING C53 H53 no N 63 . 4354 BCD 64 . SING C63 O63 no N 64 . 4354 BCD 65 . SING C63 H631 no N 65 . 4354 BCD 66 . SING C63 H632 no N 66 . 4354 BCD 67 . SING O63 HO63 no N 67 . 4354 BCD 68 . SING C14 C24 no N 68 . 4354 BCD 69 . SING C14 O54 no N 69 . 4354 BCD 70 . SING C14 H14 no N 70 . 4354 BCD 71 . SING C24 O24 no N 71 . 4354 BCD 72 . SING C24 C34 no N 72 . 4354 BCD 73 . SING C24 H24 no N 73 . 4354 BCD 74 . SING O24 HO24 no N 74 . 4354 BCD 75 . SING C34 O34 no N 75 . 4354 BCD 76 . SING C34 C44 no N 76 . 4354 BCD 77 . SING C34 H34 no N 77 . 4354 BCD 78 . SING O34 HO34 no N 78 . 4354 BCD 79 . SING C44 O44 no N 79 . 4354 BCD 80 . SING C44 C54 no N 80 . 4354 BCD 81 . SING C44 H44 no N 81 . 4354 BCD 82 . SING O44 C15 no N 82 . 4354 BCD 83 . SING C54 O54 no N 83 . 4354 BCD 84 . SING C54 C64 no N 84 . 4354 BCD 85 . SING C54 H54 no N 85 . 4354 BCD 86 . SING C64 O64 no N 86 . 4354 BCD 87 . SING C64 H641 no N 87 . 4354 BCD 88 . SING C64 H642 no N 88 . 4354 BCD 89 . SING O64 HO64 no N 89 . 4354 BCD 90 . SING C15 C25 no N 90 . 4354 BCD 91 . SING C15 O55 no N 91 . 4354 BCD 92 . SING C15 H15 no N 92 . 4354 BCD 93 . SING C25 O25 no N 93 . 4354 BCD 94 . SING C25 C35 no N 94 . 4354 BCD 95 . SING C25 H25 no N 95 . 4354 BCD 96 . SING O25 HO25 no N 96 . 4354 BCD 97 . SING C35 O35 no N 97 . 4354 BCD 98 . SING C35 C45 no N 98 . 4354 BCD 99 . SING C35 H35 no N 99 . 4354 BCD 100 . SING O35 HO35 no N 100 . 4354 BCD 101 . SING C45 O45 no N 101 . 4354 BCD 102 . SING C45 C55 no N 102 . 4354 BCD 103 . SING C45 H45 no N 103 . 4354 BCD 104 . SING O45 C16 no N 104 . 4354 BCD 105 . SING C55 O55 no N 105 . 4354 BCD 106 . SING C55 C65 no N 106 . 4354 BCD 107 . SING C55 H55 no N 107 . 4354 BCD 108 . SING C65 O65 no N 108 . 4354 BCD 109 . SING C65 H651 no N 109 . 4354 BCD 110 . SING C65 H652 no N 110 . 4354 BCD 111 . SING O65 HO65 no N 111 . 4354 BCD 112 . SING C16 C26 no N 112 . 4354 BCD 113 . SING C16 O56 no N 113 . 4354 BCD 114 . SING C16 H16 no N 114 . 4354 BCD 115 . SING C26 O26 no N 115 . 4354 BCD 116 . SING C26 C36 no N 116 . 4354 BCD 117 . SING C26 H26 no N 117 . 4354 BCD 118 . SING O26 HO26 no N 118 . 4354 BCD 119 . SING C36 O36 no N 119 . 4354 BCD 120 . SING C36 C46 no N 120 . 4354 BCD 121 . SING C36 H36 no N 121 . 4354 BCD 122 . SING O36 HO36 no N 122 . 4354 BCD 123 . SING C46 O46 no N 123 . 4354 BCD 124 . SING C46 C56 no N 124 . 4354 BCD 125 . SING C46 H46 no N 125 . 4354 BCD 126 . SING O46 C17 no N 126 . 4354 BCD 127 . SING C56 O56 no N 127 . 4354 BCD 128 . SING C56 C66 no N 128 . 4354 BCD 129 . SING C56 H56 no N 129 . 4354 BCD 130 . SING C66 O66 no N 130 . 4354 BCD 131 . SING C66 H661 no N 131 . 4354 BCD 132 . SING C66 H662 no N 132 . 4354 BCD 133 . SING O66 HO66 no N 133 . 4354 BCD 134 . SING C17 C27 no N 134 . 4354 BCD 135 . SING C17 O57 no N 135 . 4354 BCD 136 . SING C17 H17 no N 136 . 4354 BCD 137 . SING C27 O27 no N 137 . 4354 BCD 138 . SING C27 C37 no N 138 . 4354 BCD 139 . SING C27 H27 no N 139 . 4354 BCD 140 . SING O27 HO27 no N 140 . 4354 BCD 141 . SING C37 O37 no N 141 . 4354 BCD 142 . SING C37 C47 no N 142 . 4354 BCD 143 . SING C37 H37 no N 143 . 4354 BCD 144 . SING O37 HO37 no N 144 . 4354 BCD 145 . SING C47 O47 no N 145 . 4354 BCD 146 . SING C47 C57 no N 146 . 4354 BCD 147 . SING C47 H47 no N 147 . 4354 BCD 148 . SING C57 O57 no N 148 . 4354 BCD 149 . SING C57 C67 no N 149 . 4354 BCD 150 . SING C57 H57 no N 150 . 4354 BCD 151 . SING C67 O67 no N 151 . 4354 BCD 152 . SING C67 H671 no N 152 . 4354 BCD 153 . SING C67 H672 no N 153 . 4354 BCD 154 . SING O67 HO67 no N 154 . 4354 BCD stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4354 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Exchangeable proton sites in MBP were fully protonated by partially unfolding this protein in 2.5M GuHCl at room temperature for 3hr and subsequently refolding in GuHCl-free phosphate buffer containing 2mM beta-cyclodextrin. The protein under study has high level (>95%) deuterium labeling at all aliphatic and aromatic sites except at the following methyl groups which are highly protonated: Ile d1, Val g1/g2 and Leu d1/d2. No attempt has been made here to correct the 2H isotope effects on the 15N and 13C chemical shifts that are reported. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'E. coli maltose binding protein' '[U-15N;U-13C; U-2H;1H-95% Ile HD1, 1H-50% LeuHD1/HD2, 1H-85% Val HG1/HG2]' . . 1 $MBP . . . 0.7 0.9 mM . . . . 4354 1 2 BCD . . . 2 $BCD . . 2.0 . . mM . . . . 4354 1 3 'sodium phosphate buffer' . . . . . . . 20 . . mM . . . . 4354 1 4 EDTA . . . . . . . 100 . . uM . . . . 4354 1 5 Pefabloc . . . . . . . 0.1 . . mg/mL . . . . 4354 1 6 pepstatin . . . . . . . 1.0 . . ug/uL . . . . 4354 1 7 D2O . . . . . . . 10 . . % . . . . 4354 1 8 H2O . . . . . . . 90 . . % . . . . 4354 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 4354 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 0.05 n/a 4354 1 temperature 310 0.2 K 4354 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 4354 _Software.ID 1 _Software.Name NMRView _Software.Version 3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking, partially automated backbone and sidechain assignments' 4354 1 ; Used in conjunction with some in-house Tcl scripts for sidechain assignments ; 4354 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4354 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4354 2 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 4354 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4354 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 4354 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 4354 _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 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4354 1 2 CT-HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4354 1 3 CT-HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4354 1 4 CT-HN(CA)CB . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4354 1 5 CT-HN(COCA)CB . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4354 1 6 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4354 1 7 'CT-1H-13C HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4354 1 8 (H)C(CO)NH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4354 1 9 H(CCO)NH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4354 1 10 (H)C(CA)NH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4354 1 11 (HM)CMC(CM)HM . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4354 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4354 _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 'sodium acetate' 'methyl carbon' . . . . ppm 25.85 external direct 1.000 external_to_the_sample cylindrical parallel_to_Bo . . . . . . 4354 1 H 1 H2O proton . . . . ppm 4.658 internal direct 1.000 internal cylindrical parallel_to_Bo . . . . . . 4354 1 N 15 urea guanidinyl . . . . ppm 78.98 external direct 1.000 external_to_the_sample cylindrical parallel_to_Bo . . . . . . 4354 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4354 _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 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4354 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS CA C 13 55.781 . . 1 . . . . . . . . 4354 1 2 . 1 1 1 1 LYS CB C 13 32.207 . . 1 . . . . . . . . 4354 1 3 . 1 1 1 1 LYS C C 13 176.349 . . 1 . . . . . . . . 4354 1 4 . 1 1 2 2 THR N N 15 116.283 . . 1 . . . . . . . . 4354 1 5 . 1 1 2 2 THR H H 1 8.201 . . 1 . . . . . . . . 4354 1 6 . 1 1 2 2 THR CA C 13 61.547 . . 1 . . . . . . . . 4354 1 7 . 1 1 2 2 THR CB C 13 69.111 . . 1 . . . . . . . . 4354 1 8 . 1 1 2 2 THR C C 13 174.253 . . 1 . . . . . . . . 4354 1 9 . 1 1 3 3 GLU N N 15 122.654 . . 1 . . . . . . . . 4354 1 10 . 1 1 3 3 GLU H H 1 8.519 . . 1 . . . . . . . . 4354 1 11 . 1 1 3 3 GLU CA C 13 55.644 . . 1 . . . . . . . . 4354 1 12 . 1 1 3 3 GLU CB C 13 30.300 . . 1 . . . . . . . . 4354 1 13 . 1 1 3 3 GLU C C 13 175.942 . . 1 . . . . . . . . 4354 1 14 . 1 1 4 4 GLU N N 15 122.312 . . 1 . . . . . . . . 4354 1 15 . 1 1 4 4 GLU H H 1 8.476 . . 1 . . . . . . . . 4354 1 16 . 1 1 4 4 GLU CA C 13 56.196 . . 1 . . . . . . . . 4354 1 17 . 1 1 4 4 GLU CB C 13 29.513 . . 1 . . . . . . . . 4354 1 18 . 1 1 4 4 GLU C C 13 176.820 . . 1 . . . . . . . . 4354 1 19 . 1 1 5 5 GLY N N 15 110.384 . . 1 . . . . . . . . 4354 1 20 . 1 1 5 5 GLY H H 1 8.574 . . 1 . . . . . . . . 4354 1 21 . 1 1 5 5 GLY CA C 13 45.216 . . 1 . . . . . . . . 4354 1 22 . 1 1 5 5 GLY C C 13 172.158 . . 1 . . . . . . . . 4354 1 23 . 1 1 6 6 LYS N N 15 119.307 . . 1 . . . . . . . . 4354 1 24 . 1 1 6 6 LYS H H 1 7.707 . . 1 . . . . . . . . 4354 1 25 . 1 1 6 6 LYS CA C 13 54.459 . . 1 . . . . . . . . 4354 1 26 . 1 1 6 6 LYS CB C 13 34.440 . . 1 . . . . . . . . 4354 1 27 . 1 1 6 6 LYS C C 13 173.423 . . 1 . . . . . . . . 4354 1 28 . 1 1 7 7 LEU N N 15 118.692 . . 1 . . . . . . . . 4354 1 29 . 1 1 7 7 LEU H H 1 8.385 . . 1 . . . . . . . . 4354 1 30 . 1 1 7 7 LEU CA C 13 52.843 . . 1 . . . . . . . . 4354 1 31 . 1 1 7 7 LEU CB C 13 45.566 . . 1 . . . . . . . . 4354 1 32 . 1 1 7 7 LEU CG C 13 25.849 . . 1 . . . . . . . . 4354 1 33 . 1 1 7 7 LEU CD1 C 13 25.068 . . 1 . . . . . . . . 4354 1 34 . 1 1 7 7 LEU HD11 H 1 0.351 . . 1 . . . . . . . . 4354 1 35 . 1 1 7 7 LEU HD12 H 1 0.351 . . 1 . . . . . . . . 4354 1 36 . 1 1 7 7 LEU HD13 H 1 0.351 . . 1 . . . . . . . . 4354 1 37 . 1 1 7 7 LEU CD2 C 13 24.299 . . 1 . . . . . . . . 4354 1 38 . 1 1 7 7 LEU HD21 H 1 0.527 . . 1 . . . . . . . . 4354 1 39 . 1 1 7 7 LEU HD22 H 1 0.527 . . 1 . . . . . . . . 4354 1 40 . 1 1 7 7 LEU HD23 H 1 0.527 . . 1 . . . . . . . . 4354 1 41 . 1 1 7 7 LEU C C 13 175.168 . . 1 . . . . . . . . 4354 1 42 . 1 1 8 8 VAL N N 15 125.539 . . 1 . . . . . . . . 4354 1 43 . 1 1 8 8 VAL H H 1 10.009 . . 1 . . . . . . . . 4354 1 44 . 1 1 8 8 VAL CA C 13 61.285 . . 1 . . . . . . . . 4354 1 45 . 1 1 8 8 VAL CB C 13 33.278 . . 1 . . . . . . . . 4354 1 46 . 1 1 8 8 VAL CG2 C 13 21.211 . . 1 . . . . . . . . 4354 1 47 . 1 1 8 8 VAL HG21 H 1 0.923 . . 1 . . . . . . . . 4354 1 48 . 1 1 8 8 VAL HG22 H 1 0.923 . . 1 . . . . . . . . 4354 1 49 . 1 1 8 8 VAL HG23 H 1 0.923 . . 1 . . . . . . . . 4354 1 50 . 1 1 8 8 VAL CG1 C 13 20.894 . . 1 . . . . . . . . 4354 1 51 . 1 1 8 8 VAL HG11 H 1 0.878 . . 1 . . . . . . . . 4354 1 52 . 1 1 8 8 VAL HG12 H 1 0.878 . . 1 . . . . . . . . 4354 1 53 . 1 1 8 8 VAL HG13 H 1 0.878 . . 1 . . . . . . . . 4354 1 54 . 1 1 8 8 VAL C C 13 175.761 . . 1 . . . . . . . . 4354 1 55 . 1 1 9 9 ILE N N 15 128.453 . . 1 . . . . . . . . 4354 1 56 . 1 1 9 9 ILE H H 1 9.117 . . 1 . . . . . . . . 4354 1 57 . 1 1 9 9 ILE CA C 13 59.433 . . 1 . . . . . . . . 4354 1 58 . 1 1 9 9 ILE CB C 13 40.346 . . 1 . . . . . . . . 4354 1 59 . 1 1 9 9 ILE CG1 C 13 26.592 . . 1 . . . . . . . . 4354 1 60 . 1 1 9 9 ILE CD1 C 13 14.504 . . 1 . . . . . . . . 4354 1 61 . 1 1 9 9 ILE HD11 H 1 0.325 . . 1 . . . . . . . . 4354 1 62 . 1 1 9 9 ILE HD12 H 1 0.325 . . 1 . . . . . . . . 4354 1 63 . 1 1 9 9 ILE HD13 H 1 0.325 . . 1 . . . . . . . . 4354 1 64 . 1 1 9 9 ILE CG2 C 13 18.126 . . 1 . . . . . . . . 4354 1 65 . 1 1 9 9 ILE HG21 H 1 0.985 . . 1 . . . . . . . . 4354 1 66 . 1 1 9 9 ILE HG22 H 1 0.985 . . 1 . . . . . . . . 4354 1 67 . 1 1 9 9 ILE HG23 H 1 0.985 . . 1 . . . . . . . . 4354 1 68 . 1 1 9 9 ILE C C 13 174.570 . . 1 . . . . . . . . 4354 1 69 . 1 1 10 10 TRP N N 15 126.764 . . 1 . . . . . . . . 4354 1 70 . 1 1 10 10 TRP H H 1 9.036 . . 1 . . . . . . . . 4354 1 71 . 1 1 10 10 TRP CA C 13 53.678 . . 1 . . . . . . . . 4354 1 72 . 1 1 10 10 TRP CB C 13 32.163 . . 1 . . . . . . . . 4354 1 73 . 1 1 10 10 TRP HE1 H 1 10.627 . . 1 . . . . . . . . 4354 1 74 . 1 1 10 10 TRP C C 13 173.976 . . 1 . . . . . . . . 4354 1 75 . 1 1 11 11 ILE N N 15 121.988 . . 1 . . . . . . . . 4354 1 76 . 1 1 11 11 ILE H H 1 8.701 . . 1 . . . . . . . . 4354 1 77 . 1 1 11 11 ILE CA C 13 59.348 . . 1 . . . . . . . . 4354 1 78 . 1 1 11 11 ILE CB C 13 40.705 . . 1 . . . . . . . . 4354 1 79 . 1 1 11 11 ILE CG1 C 13 27.744 . . 1 . . . . . . . . 4354 1 80 . 1 1 11 11 ILE CD1 C 13 13.151 . . 1 . . . . . . . . 4354 1 81 . 1 1 11 11 ILE HD11 H 1 0.108 . . 1 . . . . . . . . 4354 1 82 . 1 1 11 11 ILE HD12 H 1 0.108 . . 1 . . . . . . . . 4354 1 83 . 1 1 11 11 ILE HD13 H 1 0.108 . . 1 . . . . . . . . 4354 1 84 . 1 1 11 11 ILE CG2 C 13 14.232 . . 1 . . . . . . . . 4354 1 85 . 1 1 11 11 ILE HG21 H 1 0.634 . . 1 . . . . . . . . 4354 1 86 . 1 1 11 11 ILE HG22 H 1 0.634 . . 1 . . . . . . . . 4354 1 87 . 1 1 11 11 ILE HG23 H 1 0.634 . . 1 . . . . . . . . 4354 1 88 . 1 1 11 11 ILE C C 13 171.008 . . 1 . . . . . . . . 4354 1 89 . 1 1 12 12 ASN N N 15 122.594 . . 1 . . . . . . . . 4354 1 90 . 1 1 12 12 ASN H H 1 8.854 . . 1 . . . . . . . . 4354 1 91 . 1 1 12 12 ASN CA C 13 53.871 . . 1 . . . . . . . . 4354 1 92 . 1 1 12 12 ASN CB C 13 39.211 . . 1 . . . . . . . . 4354 1 93 . 1 1 12 12 ASN C C 13 177.256 . . 1 . . . . . . . . 4354 1 94 . 1 1 13 13 GLY N N 15 106.526 . . 1 . . . . . . . . 4354 1 95 . 1 1 13 13 GLY H H 1 8.224 . . 1 . . . . . . . . 4354 1 96 . 1 1 13 13 GLY CA C 13 45.882 . . 1 . . . . . . . . 4354 1 97 . 1 1 13 13 GLY C C 13 173.099 . . 1 . . . . . . . . 4354 1 98 . 1 1 14 14 ASP N N 15 116.761 . . 1 . . . . . . . . 4354 1 99 . 1 1 14 14 ASP H H 1 7.923 . . 1 . . . . . . . . 4354 1 100 . 1 1 14 14 ASP CA C 13 52.575 . . 1 . . . . . . . . 4354 1 101 . 1 1 14 14 ASP CB C 13 39.142 . . 1 . . . . . . . . 4354 1 102 . 1 1 14 14 ASP C C 13 176.028 . . 1 . . . . . . . . 4354 1 103 . 1 1 15 15 LYS N N 15 118.647 . . 1 . . . . . . . . 4354 1 104 . 1 1 15 15 LYS H H 1 7.558 . . 1 . . . . . . . . 4354 1 105 . 1 1 15 15 LYS CA C 13 52.499 . . 1 . . . . . . . . 4354 1 106 . 1 1 15 15 LYS CB C 13 32.319 . . 1 . . . . . . . . 4354 1 107 . 1 1 15 15 LYS C C 13 177.355 . . 1 . . . . . . . . 4354 1 108 . 1 1 16 16 GLY N N 15 107.960 . . 1 . . . . . . . . 4354 1 109 . 1 1 16 16 GLY H H 1 8.732 . . 1 . . . . . . . . 4354 1 110 . 1 1 16 16 GLY CA C 13 47.565 . . 1 . . . . . . . . 4354 1 111 . 1 1 16 16 GLY C C 13 175.557 . . 1 . . . . . . . . 4354 1 112 . 1 1 17 17 TYR N N 15 120.510 . . 1 . . . . . . . . 4354 1 113 . 1 1 17 17 TYR H H 1 8.203 . . 1 . . . . . . . . 4354 1 114 . 1 1 17 17 TYR CA C 13 59.207 . . 1 . . . . . . . . 4354 1 115 . 1 1 17 17 TYR CB C 13 37.030 . . 1 . . . . . . . . 4354 1 116 . 1 1 17 17 TYR C C 13 177.021 . . 1 . . . . . . . . 4354 1 117 . 1 1 18 18 ASN N N 15 123.445 . . 1 . . . . . . . . 4354 1 118 . 1 1 18 18 ASN H H 1 8.095 . . 1 . . . . . . . . 4354 1 119 . 1 1 18 18 ASN CA C 13 55.679 . . 1 . . . . . . . . 4354 1 120 . 1 1 18 18 ASN CB C 13 36.875 . . 1 . . . . . . . . 4354 1 121 . 1 1 18 18 ASN C C 13 178.888 . . 1 . . . . . . . . 4354 1 122 . 1 1 19 19 GLY N N 15 111.600 . . 1 . . . . . . . . 4354 1 123 . 1 1 19 19 GLY H H 1 8.929 . . 1 . . . . . . . . 4354 1 124 . 1 1 19 19 GLY CA C 13 46.935 . . 1 . . . . . . . . 4354 1 125 . 1 1 19 19 GLY C C 13 175.825 . . 1 . . . . . . . . 4354 1 126 . 1 1 20 20 LEU N N 15 121.780 . . 1 . . . . . . . . 4354 1 127 . 1 1 20 20 LEU H H 1 8.302 . . 1 . . . . . . . . 4354 1 128 . 1 1 20 20 LEU CA C 13 57.088 . . 1 . . . . . . . . 4354 1 129 . 1 1 20 20 LEU CB C 13 40.697 . . 1 . . . . . . . . 4354 1 130 . 1 1 20 20 LEU CG C 13 26.321 . . 1 . . . . . . . . 4354 1 131 . 1 1 20 20 LEU CD1 C 13 24.784 . . 1 . . . . . . . . 4354 1 132 . 1 1 20 20 LEU HD11 H 1 0.867 . . 1 . . . . . . . . 4354 1 133 . 1 1 20 20 LEU HD12 H 1 0.867 . . 1 . . . . . . . . 4354 1 134 . 1 1 20 20 LEU HD13 H 1 0.867 . . 1 . . . . . . . . 4354 1 135 . 1 1 20 20 LEU CD2 C 13 26.813 . . 1 . . . . . . . . 4354 1 136 . 1 1 20 20 LEU HD21 H 1 0.638 . . 1 . . . . . . . . 4354 1 137 . 1 1 20 20 LEU HD22 H 1 0.638 . . 1 . . . . . . . . 4354 1 138 . 1 1 20 20 LEU HD23 H 1 0.638 . . 1 . . . . . . . . 4354 1 139 . 1 1 20 20 LEU C C 13 178.611 . . 1 . . . . . . . . 4354 1 140 . 1 1 21 21 ALA N N 15 121.081 . . 1 . . . . . . . . 4354 1 141 . 1 1 21 21 ALA H H 1 8.074 . . 1 . . . . . . . . 4354 1 142 . 1 1 21 21 ALA CA C 13 54.592 . . 1 . . . . . . . . 4354 1 143 . 1 1 21 21 ALA CB C 13 16.804 . . 1 . . . . . . . . 4354 1 144 . 1 1 21 21 ALA C C 13 180.494 . . 1 . . . . . . . . 4354 1 145 . 1 1 22 22 GLU N N 15 120.436 . . 1 . . . . . . . . 4354 1 146 . 1 1 22 22 GLU H H 1 7.792 . . 1 . . . . . . . . 4354 1 147 . 1 1 22 22 GLU CA C 13 59.192 . . 1 . . . . . . . . 4354 1 148 . 1 1 22 22 GLU CB C 13 27.950 . . 1 . . . . . . . . 4354 1 149 . 1 1 22 22 GLU C C 13 180.027 . . 1 . . . . . . . . 4354 1 150 . 1 1 23 23 VAL N N 15 123.021 . . 1 . . . . . . . . 4354 1 151 . 1 1 23 23 VAL H H 1 7.811 . . 1 . . . . . . . . 4354 1 152 . 1 1 23 23 VAL CA C 13 66.262 . . 1 . . . . . . . . 4354 1 153 . 1 1 23 23 VAL CB C 13 30.960 . . 1 . . . . . . . . 4354 1 154 . 1 1 23 23 VAL CG2 C 13 23.491 . . 1 . . . . . . . . 4354 1 155 . 1 1 23 23 VAL HG21 H 1 1.257 . . 1 . . . . . . . . 4354 1 156 . 1 1 23 23 VAL HG22 H 1 1.257 . . 1 . . . . . . . . 4354 1 157 . 1 1 23 23 VAL HG23 H 1 1.257 . . 1 . . . . . . . . 4354 1 158 . 1 1 23 23 VAL CG1 C 13 22.314 . . 1 . . . . . . . . 4354 1 159 . 1 1 23 23 VAL HG11 H 1 0.823 . . 1 . . . . . . . . 4354 1 160 . 1 1 23 23 VAL HG12 H 1 0.823 . . 1 . . . . . . . . 4354 1 161 . 1 1 23 23 VAL HG13 H 1 0.823 . . 1 . . . . . . . . 4354 1 162 . 1 1 23 23 VAL C C 13 179.336 . . 1 . . . . . . . . 4354 1 163 . 1 1 24 24 GLY N N 15 106.724 . . 1 . . . . . . . . 4354 1 164 . 1 1 24 24 GLY H H 1 8.696 . . 1 . . . . . . . . 4354 1 165 . 1 1 24 24 GLY CA C 13 47.106 . . 1 . . . . . . . . 4354 1 166 . 1 1 24 24 GLY C C 13 175.022 . . 1 . . . . . . . . 4354 1 167 . 1 1 25 25 LYS N N 15 122.711 . . 1 . . . . . . . . 4354 1 168 . 1 1 25 25 LYS H H 1 8.278 . . 1 . . . . . . . . 4354 1 169 . 1 1 25 25 LYS CA C 13 58.751 . . 1 . . . . . . . . 4354 1 170 . 1 1 25 25 LYS CB C 13 31.126 . . 1 . . . . . . . . 4354 1 171 . 1 1 25 25 LYS C C 13 179.381 . . 1 . . . . . . . . 4354 1 172 . 1 1 26 26 LYS N N 15 122.725 . . 1 . . . . . . . . 4354 1 173 . 1 1 26 26 LYS H H 1 7.638 . . 1 . . . . . . . . 4354 1 174 . 1 1 26 26 LYS CA C 13 59.158 . . 1 . . . . . . . . 4354 1 175 . 1 1 26 26 LYS CB C 13 31.306 . . 1 . . . . . . . . 4354 1 176 . 1 1 26 26 LYS C C 13 178.018 . . 1 . . . . . . . . 4354 1 177 . 1 1 27 27 PHE N N 15 120.100 . . 1 . . . . . . . . 4354 1 178 . 1 1 27 27 PHE H H 1 8.061 . . 1 . . . . . . . . 4354 1 179 . 1 1 27 27 PHE CA C 13 60.874 . . 1 . . . . . . . . 4354 1 180 . 1 1 27 27 PHE CB C 13 38.593 . . 1 . . . . . . . . 4354 1 181 . 1 1 27 27 PHE C C 13 178.856 . . 1 . . . . . . . . 4354 1 182 . 1 1 28 28 GLU N N 15 124.145 . . 1 . . . . . . . . 4354 1 183 . 1 1 28 28 GLU H H 1 8.892 . . 1 . . . . . . . . 4354 1 184 . 1 1 28 28 GLU CA C 13 58.562 . . 1 . . . . . . . . 4354 1 185 . 1 1 28 28 GLU CB C 13 29.134 . . 1 . . . . . . . . 4354 1 186 . 1 1 28 28 GLU C C 13 179.749 . . 1 . . . . . . . . 4354 1 187 . 1 1 29 29 LYS N N 15 121.899 . . 1 . . . . . . . . 4354 1 188 . 1 1 29 29 LYS H H 1 8.081 . . 1 . . . . . . . . 4354 1 189 . 1 1 29 29 LYS CA C 13 58.758 . . 1 . . . . . . . . 4354 1 190 . 1 1 29 29 LYS CB C 13 30.678 . . 1 . . . . . . . . 4354 1 191 . 1 1 29 29 LYS C C 13 178.224 . . 1 . . . . . . . . 4354 1 192 . 1 1 30 30 ASP N N 15 116.368 . . 1 . . . . . . . . 4354 1 193 . 1 1 30 30 ASP H H 1 7.559 . . 1 . . . . . . . . 4354 1 194 . 1 1 30 30 ASP CA C 13 55.965 . . 1 . . . . . . . . 4354 1 195 . 1 1 30 30 ASP CB C 13 40.362 . . 1 . . . . . . . . 4354 1 196 . 1 1 30 30 ASP C C 13 178.159 . . 1 . . . . . . . . 4354 1 197 . 1 1 31 31 THR N N 15 107.204 . . 1 . . . . . . . . 4354 1 198 . 1 1 31 31 THR H H 1 7.908 . . 1 . . . . . . . . 4354 1 199 . 1 1 31 31 THR CA C 13 62.217 . . 1 . . . . . . . . 4354 1 200 . 1 1 31 31 THR CB C 13 71.633 . . 1 . . . . . . . . 4354 1 201 . 1 1 31 31 THR C C 13 176.098 . . 1 . . . . . . . . 4354 1 202 . 1 1 32 32 GLY N N 15 112.688 . . 1 . . . . . . . . 4354 1 203 . 1 1 32 32 GLY H H 1 8.587 . . 1 . . . . . . . . 4354 1 204 . 1 1 32 32 GLY CA C 13 44.874 . . 1 . . . . . . . . 4354 1 205 . 1 1 32 32 GLY C C 13 173.355 . . 1 . . . . . . . . 4354 1 206 . 1 1 33 33 ILE N N 15 124.219 . . 1 . . . . . . . . 4354 1 207 . 1 1 33 33 ILE H H 1 7.739 . . 1 . . . . . . . . 4354 1 208 . 1 1 33 33 ILE CA C 13 58.247 . . 1 . . . . . . . . 4354 1 209 . 1 1 33 33 ILE CB C 13 35.129 . . 1 . . . . . . . . 4354 1 210 . 1 1 33 33 ILE CG1 C 13 25.054 . . 1 . . . . . . . . 4354 1 211 . 1 1 33 33 ILE CD1 C 13 10.246 . . 1 . . . . . . . . 4354 1 212 . 1 1 33 33 ILE HD11 H 1 0.576 . . 1 . . . . . . . . 4354 1 213 . 1 1 33 33 ILE HD12 H 1 0.576 . . 1 . . . . . . . . 4354 1 214 . 1 1 33 33 ILE HD13 H 1 0.576 . . 1 . . . . . . . . 4354 1 215 . 1 1 33 33 ILE CG2 C 13 16.031 . . 1 . . . . . . . . 4354 1 216 . 1 1 33 33 ILE HG21 H 1 0.626 . . 1 . . . . . . . . 4354 1 217 . 1 1 33 33 ILE HG22 H 1 0.626 . . 1 . . . . . . . . 4354 1 218 . 1 1 33 33 ILE HG23 H 1 0.626 . . 1 . . . . . . . . 4354 1 219 . 1 1 33 33 ILE C C 13 173.616 . . 1 . . . . . . . . 4354 1 220 . 1 1 34 34 LYS N N 15 124.598 . . 1 . . . . . . . . 4354 1 221 . 1 1 34 34 LYS H H 1 7.701 . . 1 . . . . . . . . 4354 1 222 . 1 1 34 34 LYS CA C 13 55.997 . . 1 . . . . . . . . 4354 1 223 . 1 1 34 34 LYS CB C 13 32.144 . . 1 . . . . . . . . 4354 1 224 . 1 1 34 34 LYS C C 13 175.524 . . 1 . . . . . . . . 4354 1 225 . 1 1 35 35 VAL N N 15 124.774 . . 1 . . . . . . . . 4354 1 226 . 1 1 35 35 VAL H H 1 8.461 . . 1 . . . . . . . . 4354 1 227 . 1 1 35 35 VAL CA C 13 60.571 . . 1 . . . . . . . . 4354 1 228 . 1 1 35 35 VAL CB C 13 32.665 . . 1 . . . . . . . . 4354 1 229 . 1 1 35 35 VAL CG2 C 13 22.478 . . 1 . . . . . . . . 4354 1 230 . 1 1 35 35 VAL HG21 H 1 0.776 . . 1 . . . . . . . . 4354 1 231 . 1 1 35 35 VAL HG22 H 1 0.776 . . 1 . . . . . . . . 4354 1 232 . 1 1 35 35 VAL HG23 H 1 0.776 . . 1 . . . . . . . . 4354 1 233 . 1 1 35 35 VAL CG1 C 13 20.783 . . 1 . . . . . . . . 4354 1 234 . 1 1 35 35 VAL HG11 H 1 0.364 . . 1 . . . . . . . . 4354 1 235 . 1 1 35 35 VAL HG12 H 1 0.364 . . 1 . . . . . . . . 4354 1 236 . 1 1 35 35 VAL HG13 H 1 0.364 . . 1 . . . . . . . . 4354 1 237 . 1 1 35 35 VAL C C 13 175.614 . . 1 . . . . . . . . 4354 1 238 . 1 1 36 36 THR N N 15 125.131 . . 1 . . . . . . . . 4354 1 239 . 1 1 36 36 THR H H 1 9.115 . . 1 . . . . . . . . 4354 1 240 . 1 1 36 36 THR CA C 13 60.887 . . 1 . . . . . . . . 4354 1 241 . 1 1 36 36 THR CB C 13 70.364 . . 1 . . . . . . . . 4354 1 242 . 1 1 36 36 THR C C 13 172.497 . . 1 . . . . . . . . 4354 1 243 . 1 1 37 37 VAL N N 15 127.364 . . 1 . . . . . . . . 4354 1 244 . 1 1 37 37 VAL H H 1 8.859 . . 1 . . . . . . . . 4354 1 245 . 1 1 37 37 VAL CA C 13 60.977 . . 1 . . . . . . . . 4354 1 246 . 1 1 37 37 VAL CB C 13 31.983 . . 1 . . . . . . . . 4354 1 247 . 1 1 37 37 VAL CG2 C 13 20.673 . . 1 . . . . . . . . 4354 1 248 . 1 1 37 37 VAL HG21 H 1 0.766 . . 1 . . . . . . . . 4354 1 249 . 1 1 37 37 VAL HG22 H 1 0.766 . . 1 . . . . . . . . 4354 1 250 . 1 1 37 37 VAL HG23 H 1 0.766 . . 1 . . . . . . . . 4354 1 251 . 1 1 37 37 VAL CG1 C 13 22.850 . . 1 . . . . . . . . 4354 1 252 . 1 1 37 37 VAL HG11 H 1 0.955 . . 1 . . . . . . . . 4354 1 253 . 1 1 37 37 VAL HG12 H 1 0.955 . . 1 . . . . . . . . 4354 1 254 . 1 1 37 37 VAL HG13 H 1 0.955 . . 1 . . . . . . . . 4354 1 255 . 1 1 37 37 VAL C C 13 175.166 . . 1 . . . . . . . . 4354 1 256 . 1 1 38 38 GLU N N 15 126.959 . . 1 . . . . . . . . 4354 1 257 . 1 1 38 38 GLU H H 1 9.613 . . 1 . . . . . . . . 4354 1 258 . 1 1 38 38 GLU CA C 13 53.736 . . 1 . . . . . . . . 4354 1 259 . 1 1 38 38 GLU CB C 13 32.497 . . 1 . . . . . . . . 4354 1 260 . 1 1 38 38 GLU C C 13 173.335 . . 1 . . . . . . . . 4354 1 261 . 1 1 39 39 HIS N N 15 115.269 . . 1 . . . . . . . . 4354 1 262 . 1 1 39 39 HIS H H 1 8.300 . . 1 . . . . . . . . 4354 1 263 . 1 1 39 39 HIS CA C 13 50.797 . . 1 . . . . . . . . 4354 1 264 . 1 1 39 39 HIS CB C 13 27.988 . . 1 . . . . . . . . 4354 1 265 . 1 1 40 40 PRO CA C 13 61.733 . . 1 . . . . . . . . 4354 1 266 . 1 1 40 40 PRO CB C 13 30.094 . . 1 . . . . . . . . 4354 1 267 . 1 1 40 40 PRO C C 13 176.579 . . 1 . . . . . . . . 4354 1 268 . 1 1 41 41 ASP N N 15 121.155 . . 1 . . . . . . . . 4354 1 269 . 1 1 41 41 ASP H H 1 8.203 . . 1 . . . . . . . . 4354 1 270 . 1 1 41 41 ASP CA C 13 54.296 . . 1 . . . . . . . . 4354 1 271 . 1 1 41 41 ASP CB C 13 40.447 . . 1 . . . . . . . . 4354 1 272 . 1 1 41 41 ASP C C 13 176.300 . . 1 . . . . . . . . 4354 1 273 . 1 1 42 42 LYS N N 15 119.315 . . 1 . . . . . . . . 4354 1 274 . 1 1 42 42 LYS H H 1 8.752 . . 1 . . . . . . . . 4354 1 275 . 1 1 42 42 LYS CA C 13 55.951 . . 1 . . . . . . . . 4354 1 276 . 1 1 42 42 LYS CB C 13 28.784 . . 1 . . . . . . . . 4354 1 277 . 1 1 42 42 LYS C C 13 178.275 . . 1 . . . . . . . . 4354 1 278 . 1 1 43 43 LEU N N 15 120.008 . . 1 . . . . . . . . 4354 1 279 . 1 1 43 43 LEU H H 1 7.413 . . 1 . . . . . . . . 4354 1 280 . 1 1 43 43 LEU CA C 13 58.961 . . 1 . . . . . . . . 4354 1 281 . 1 1 43 43 LEU CB C 13 40.176 . . 1 . . . . . . . . 4354 1 282 . 1 1 43 43 LEU CG C 13 25.804 . . 1 . . . . . . . . 4354 1 283 . 1 1 43 43 LEU CD1 C 13 26.612 . . 1 . . . . . . . . 4354 1 284 . 1 1 43 43 LEU HD11 H 1 1.103 . . 1 . . . . . . . . 4354 1 285 . 1 1 43 43 LEU HD12 H 1 1.103 . . 1 . . . . . . . . 4354 1 286 . 1 1 43 43 LEU HD13 H 1 1.103 . . 1 . . . . . . . . 4354 1 287 . 1 1 43 43 LEU CD2 C 13 26.519 . . 1 . . . . . . . . 4354 1 288 . 1 1 43 43 LEU HD21 H 1 1.121 . . 1 . . . . . . . . 4354 1 289 . 1 1 43 43 LEU HD22 H 1 1.121 . . 1 . . . . . . . . 4354 1 290 . 1 1 43 43 LEU HD23 H 1 1.121 . . 1 . . . . . . . . 4354 1 291 . 1 1 43 43 LEU C C 13 175.788 . . 1 . . . . . . . . 4354 1 292 . 1 1 44 44 GLU N N 15 123.796 . . 1 . . . . . . . . 4354 1 293 . 1 1 44 44 GLU H H 1 10.393 . . 1 . . . . . . . . 4354 1 294 . 1 1 44 44 GLU CA C 13 56.540 . . 1 . . . . . . . . 4354 1 295 . 1 1 44 44 GLU CB C 13 24.113 . . 1 . . . . . . . . 4354 1 296 . 1 1 44 44 GLU C C 13 178.380 . . 1 . . . . . . . . 4354 1 297 . 1 1 45 45 GLU N N 15 120.662 . . 1 . . . . . . . . 4354 1 298 . 1 1 45 45 GLU H H 1 7.330 . . 1 . . . . . . . . 4354 1 299 . 1 1 45 45 GLU CA C 13 56.025 . . 1 . . . . . . . . 4354 1 300 . 1 1 45 45 GLU CB C 13 29.386 . . 1 . . . . . . . . 4354 1 301 . 1 1 45 45 GLU C C 13 178.098 . . 1 . . . . . . . . 4354 1 302 . 1 1 46 46 LYS N N 15 120.213 . . 1 . . . . . . . . 4354 1 303 . 1 1 46 46 LYS H H 1 8.205 . . 1 . . . . . . . . 4354 1 304 . 1 1 46 46 LYS CA C 13 57.911 . . 1 . . . . . . . . 4354 1 305 . 1 1 46 46 LYS CB C 13 32.707 . . 1 . . . . . . . . 4354 1 306 . 1 1 46 46 LYS C C 13 178.939 . . 1 . . . . . . . . 4354 1 307 . 1 1 47 47 PHE N N 15 117.144 . . 1 . . . . . . . . 4354 1 308 . 1 1 47 47 PHE H H 1 8.569 . . 1 . . . . . . . . 4354 1 309 . 1 1 47 47 PHE CA C 13 62.863 . . 1 . . . . . . . . 4354 1 310 . 1 1 47 47 PHE CB C 13 35.526 . . 1 . . . . . . . . 4354 1 311 . 1 1 48 48 PRO CA C 13 64.946 . . 1 . . . . . . . . 4354 1 312 . 1 1 48 48 PRO CB C 13 29.502 . . 1 . . . . . . . . 4354 1 313 . 1 1 48 48 PRO C C 13 177.674 . . 1 . . . . . . . . 4354 1 314 . 1 1 49 49 GLN N N 15 114.643 . . 1 . . . . . . . . 4354 1 315 . 1 1 49 49 GLN H H 1 6.940 . . 1 . . . . . . . . 4354 1 316 . 1 1 49 49 GLN CA C 13 57.367 . . 1 . . . . . . . . 4354 1 317 . 1 1 49 49 GLN CB C 13 27.972 . . 1 . . . . . . . . 4354 1 318 . 1 1 49 49 GLN C C 13 178.192 . . 1 . . . . . . . . 4354 1 319 . 1 1 50 50 VAL N N 15 110.178 . . 1 . . . . . . . . 4354 1 320 . 1 1 50 50 VAL H H 1 7.569 . . 1 . . . . . . . . 4354 1 321 . 1 1 50 50 VAL CA C 13 61.300 . . 1 . . . . . . . . 4354 1 322 . 1 1 50 50 VAL CB C 13 31.993 . . 1 . . . . . . . . 4354 1 323 . 1 1 50 50 VAL CG2 C 13 19.728 . . 1 . . . . . . . . 4354 1 324 . 1 1 50 50 VAL HG21 H 1 0.864 . . 1 . . . . . . . . 4354 1 325 . 1 1 50 50 VAL HG22 H 1 0.864 . . 1 . . . . . . . . 4354 1 326 . 1 1 50 50 VAL HG23 H 1 0.864 . . 1 . . . . . . . . 4354 1 327 . 1 1 50 50 VAL CG1 C 13 21.123 . . 1 . . . . . . . . 4354 1 328 . 1 1 50 50 VAL HG11 H 1 0.965 . . 1 . . . . . . . . 4354 1 329 . 1 1 50 50 VAL HG12 H 1 0.965 . . 1 . . . . . . . . 4354 1 330 . 1 1 50 50 VAL HG13 H 1 0.965 . . 1 . . . . . . . . 4354 1 331 . 1 1 50 50 VAL C C 13 177.960 . . 1 . . . . . . . . 4354 1 332 . 1 1 51 51 ALA N N 15 124.923 . . 1 . . . . . . . . 4354 1 333 . 1 1 51 51 ALA H H 1 8.075 . . 1 . . . . . . . . 4354 1 334 . 1 1 51 51 ALA CA C 13 54.455 . . 1 . . . . . . . . 4354 1 335 . 1 1 51 51 ALA CB C 13 17.164 . . 1 . . . . . . . . 4354 1 336 . 1 1 51 51 ALA C C 13 179.715 . . 1 . . . . . . . . 4354 1 337 . 1 1 52 52 ALA N N 15 117.577 . . 1 . . . . . . . . 4354 1 338 . 1 1 52 52 ALA H H 1 7.706 . . 1 . . . . . . . . 4354 1 339 . 1 1 52 52 ALA CA C 13 52.606 . . 1 . . . . . . . . 4354 1 340 . 1 1 52 52 ALA CB C 13 17.579 . . 1 . . . . . . . . 4354 1 341 . 1 1 52 52 ALA C C 13 178.322 . . 1 . . . . . . . . 4354 1 342 . 1 1 53 53 THR N N 15 106.339 . . 1 . . . . . . . . 4354 1 343 . 1 1 53 53 THR H H 1 7.251 . . 1 . . . . . . . . 4354 1 344 . 1 1 53 53 THR CA C 13 61.034 . . 1 . . . . . . . . 4354 1 345 . 1 1 53 53 THR CB C 13 69.445 . . 1 . . . . . . . . 4354 1 346 . 1 1 53 53 THR C C 13 175.144 . . 1 . . . . . . . . 4354 1 347 . 1 1 54 54 GLY N N 15 109.026 . . 1 . . . . . . . . 4354 1 348 . 1 1 54 54 GLY H H 1 7.843 . . 1 . . . . . . . . 4354 1 349 . 1 1 54 54 GLY CA C 13 45.018 . . 1 . . . . . . . . 4354 1 350 . 1 1 54 54 GLY C C 13 173.399 . . 1 . . . . . . . . 4354 1 351 . 1 1 55 55 ASP N N 15 119.254 . . 1 . . . . . . . . 4354 1 352 . 1 1 55 55 ASP H H 1 7.555 . . 1 . . . . . . . . 4354 1 353 . 1 1 55 55 ASP CA C 13 52.935 . . 1 . . . . . . . . 4354 1 354 . 1 1 55 55 ASP CB C 13 41.653 . . 1 . . . . . . . . 4354 1 355 . 1 1 55 55 ASP C C 13 175.079 . . 1 . . . . . . . . 4354 1 356 . 1 1 56 56 GLY N N 15 106.420 . . 1 . . . . . . . . 4354 1 357 . 1 1 56 56 GLY H H 1 8.149 . . 1 . . . . . . . . 4354 1 358 . 1 1 56 56 GLY CA C 13 43.513 . . 1 . . . . . . . . 4354 1 359 . 1 1 57 57 PRO CA C 13 61.262 . . 1 . . . . . . . . 4354 1 360 . 1 1 57 57 PRO CB C 13 30.034 . . 1 . . . . . . . . 4354 1 361 . 1 1 57 57 PRO C C 13 174.831 . . 1 . . . . . . . . 4354 1 362 . 1 1 58 58 ASP N N 15 117.912 . . 1 . . . . . . . . 4354 1 363 . 1 1 58 58 ASP H H 1 8.711 . . 1 . . . . . . . . 4354 1 364 . 1 1 58 58 ASP CA C 13 57.692 . . 1 . . . . . . . . 4354 1 365 . 1 1 58 58 ASP CB C 13 43.120 . . 1 . . . . . . . . 4354 1 366 . 1 1 58 58 ASP C C 13 175.436 . . 1 . . . . . . . . 4354 1 367 . 1 1 59 59 ILE N N 15 114.482 . . 1 . . . . . . . . 4354 1 368 . 1 1 59 59 ILE H H 1 7.621 . . 1 . . . . . . . . 4354 1 369 . 1 1 59 59 ILE CA C 13 58.400 . . 1 . . . . . . . . 4354 1 370 . 1 1 59 59 ILE CB C 13 42.004 . . 1 . . . . . . . . 4354 1 371 . 1 1 59 59 ILE CG1 C 13 26.606 . . 1 . . . . . . . . 4354 1 372 . 1 1 59 59 ILE CD1 C 13 13.813 . . 1 . . . . . . . . 4354 1 373 . 1 1 59 59 ILE HD11 H 1 0.739 . . 1 . . . . . . . . 4354 1 374 . 1 1 59 59 ILE HD12 H 1 0.739 . . 1 . . . . . . . . 4354 1 375 . 1 1 59 59 ILE HD13 H 1 0.739 . . 1 . . . . . . . . 4354 1 376 . 1 1 59 59 ILE CG2 C 13 18.249 . . 1 . . . . . . . . 4354 1 377 . 1 1 59 59 ILE HG21 H 1 0.814 . . 1 . . . . . . . . 4354 1 378 . 1 1 59 59 ILE HG22 H 1 0.814 . . 1 . . . . . . . . 4354 1 379 . 1 1 59 59 ILE HG23 H 1 0.814 . . 1 . . . . . . . . 4354 1 380 . 1 1 59 59 ILE C C 13 173.541 . . 1 . . . . . . . . 4354 1 381 . 1 1 60 60 ILE N N 15 124.328 . . 1 . . . . . . . . 4354 1 382 . 1 1 60 60 ILE H H 1 8.880 . . 1 . . . . . . . . 4354 1 383 . 1 1 60 60 ILE CA C 13 57.440 . . 1 . . . . . . . . 4354 1 384 . 1 1 60 60 ILE CB C 13 40.758 . . 1 . . . . . . . . 4354 1 385 . 1 1 60 60 ILE CG1 C 13 28.121 . . 1 . . . . . . . . 4354 1 386 . 1 1 60 60 ILE CD1 C 13 14.627 . . 1 . . . . . . . . 4354 1 387 . 1 1 60 60 ILE HD11 H 1 0.408 . . 1 . . . . . . . . 4354 1 388 . 1 1 60 60 ILE HD12 H 1 0.408 . . 1 . . . . . . . . 4354 1 389 . 1 1 60 60 ILE HD13 H 1 0.408 . . 1 . . . . . . . . 4354 1 390 . 1 1 60 60 ILE CG2 C 13 13.331 . . 1 . . . . . . . . 4354 1 391 . 1 1 60 60 ILE HG21 H 1 0.039 . . 1 . . . . . . . . 4354 1 392 . 1 1 60 60 ILE HG22 H 1 0.039 . . 1 . . . . . . . . 4354 1 393 . 1 1 60 60 ILE HG23 H 1 0.039 . . 1 . . . . . . . . 4354 1 394 . 1 1 60 60 ILE C C 13 172.723 . . 1 . . . . . . . . 4354 1 395 . 1 1 61 61 PHE N N 15 126.039 . . 1 . . . . . . . . 4354 1 396 . 1 1 61 61 PHE H H 1 8.630 . . 1 . . . . . . . . 4354 1 397 . 1 1 61 61 PHE CA C 13 55.204 . . 1 . . . . . . . . 4354 1 398 . 1 1 61 61 PHE CB C 13 41.457 . . 1 . . . . . . . . 4354 1 399 . 1 1 61 61 PHE C C 13 176.471 . . 1 . . . . . . . . 4354 1 400 . 1 1 62 62 TRP N N 15 121.296 . . 1 . . . . . . . . 4354 1 401 . 1 1 62 62 TRP H H 1 9.168 . . 1 . . . . . . . . 4354 1 402 . 1 1 62 62 TRP CA C 13 56.787 . . 1 . . . . . . . . 4354 1 403 . 1 1 62 62 TRP CB C 13 31.095 . . 1 . . . . . . . . 4354 1 404 . 1 1 62 62 TRP C C 13 173.445 . . 1 . . . . . . . . 4354 1 405 . 1 1 63 63 ALA N N 15 126.171 . . 1 . . . . . . . . 4354 1 406 . 1 1 63 63 ALA H H 1 6.387 . . 1 . . . . . . . . 4354 1 407 . 1 1 63 63 ALA CA C 13 53.303 . . 1 . . . . . . . . 4354 1 408 . 1 1 63 63 ALA CB C 13 18.125 . . 1 . . . . . . . . 4354 1 409 . 1 1 63 63 ALA C C 13 179.532 . . 1 . . . . . . . . 4354 1 410 . 1 1 64 64 HIS N N 15 116.192 . . 1 . . . . . . . . 4354 1 411 . 1 1 64 64 HIS H H 1 8.096 . . 1 . . . . . . . . 4354 1 412 . 1 1 64 64 HIS CA C 13 59.703 . . 1 . . . . . . . . 4354 1 413 . 1 1 64 64 HIS CB C 13 29.572 . . 1 . . . . . . . . 4354 1 414 . 1 1 64 64 HIS C C 13 178.183 . . 1 . . . . . . . . 4354 1 415 . 1 1 65 65 ASP N N 15 119.241 . . 1 . . . . . . . . 4354 1 416 . 1 1 65 65 ASP H H 1 7.714 . . 1 . . . . . . . . 4354 1 417 . 1 1 65 65 ASP CA C 13 56.083 . . 1 . . . . . . . . 4354 1 418 . 1 1 65 65 ASP CB C 13 38.476 . . 1 . . . . . . . . 4354 1 419 . 1 1 65 65 ASP C C 13 177.565 . . 1 . . . . . . . . 4354 1 420 . 1 1 66 66 ARG N N 15 117.088 . . 1 . . . . . . . . 4354 1 421 . 1 1 66 66 ARG H H 1 7.008 . . 1 . . . . . . . . 4354 1 422 . 1 1 66 66 ARG CA C 13 54.304 . . 1 . . . . . . . . 4354 1 423 . 1 1 66 66 ARG CB C 13 29.246 . . 1 . . . . . . . . 4354 1 424 . 1 1 66 66 ARG C C 13 177.276 . . 1 . . . . . . . . 4354 1 425 . 1 1 67 67 PHE N N 15 116.544 . . 1 . . . . . . . . 4354 1 426 . 1 1 67 67 PHE H H 1 7.641 . . 1 . . . . . . . . 4354 1 427 . 1 1 67 67 PHE CA C 13 57.587 . . 1 . . . . . . . . 4354 1 428 . 1 1 67 67 PHE CB C 13 35.922 . . 1 . . . . . . . . 4354 1 429 . 1 1 67 67 PHE C C 13 177.753 . . 1 . . . . . . . . 4354 1 430 . 1 1 68 68 GLY N N 15 107.416 . . 1 . . . . . . . . 4354 1 431 . 1 1 68 68 GLY H H 1 7.341 . . 1 . . . . . . . . 4354 1 432 . 1 1 68 68 GLY CA C 13 47.030 . . 1 . . . . . . . . 4354 1 433 . 1 1 68 68 GLY C C 13 175.629 . . 1 . . . . . . . . 4354 1 434 . 1 1 69 69 GLY N N 15 107.604 . . 1 . . . . . . . . 4354 1 435 . 1 1 69 69 GLY H H 1 7.737 . . 1 . . . . . . . . 4354 1 436 . 1 1 69 69 GLY CA C 13 46.357 . . 1 . . . . . . . . 4354 1 437 . 1 1 69 69 GLY C C 13 177.088 . . 1 . . . . . . . . 4354 1 438 . 1 1 70 70 TYR N N 15 119.064 . . 1 . . . . . . . . 4354 1 439 . 1 1 70 70 TYR H H 1 6.885 . . 1 . . . . . . . . 4354 1 440 . 1 1 70 70 TYR CA C 13 56.502 . . 1 . . . . . . . . 4354 1 441 . 1 1 70 70 TYR CB C 13 35.179 . . 1 . . . . . . . . 4354 1 442 . 1 1 70 70 TYR C C 13 178.026 . . 1 . . . . . . . . 4354 1 443 . 1 1 71 71 ALA N N 15 122.768 . . 1 . . . . . . . . 4354 1 444 . 1 1 71 71 ALA H H 1 8.586 . . 1 . . . . . . . . 4354 1 445 . 1 1 71 71 ALA CA C 13 53.750 . . 1 . . . . . . . . 4354 1 446 . 1 1 71 71 ALA CB C 13 17.309 . . 1 . . . . . . . . 4354 1 447 . 1 1 71 71 ALA C C 13 181.898 . . 1 . . . . . . . . 4354 1 448 . 1 1 72 72 GLN N N 15 122.515 . . 1 . . . . . . . . 4354 1 449 . 1 1 72 72 GLN H H 1 8.623 . . 1 . . . . . . . . 4354 1 450 . 1 1 72 72 GLN CA C 13 57.994 . . 1 . . . . . . . . 4354 1 451 . 1 1 72 72 GLN CB C 13 27.015 . . 1 . . . . . . . . 4354 1 452 . 1 1 72 72 GLN C C 13 177.560 . . 1 . . . . . . . . 4354 1 453 . 1 1 73 73 SER N N 15 112.020 . . 1 . . . . . . . . 4354 1 454 . 1 1 73 73 SER H H 1 7.318 . . 1 . . . . . . . . 4354 1 455 . 1 1 73 73 SER CA C 13 58.529 . . 1 . . . . . . . . 4354 1 456 . 1 1 73 73 SER CB C 13 63.458 . . 1 . . . . . . . . 4354 1 457 . 1 1 73 73 SER C C 13 173.533 . . 1 . . . . . . . . 4354 1 458 . 1 1 74 74 GLY N N 15 109.327 . . 1 . . . . . . . . 4354 1 459 . 1 1 74 74 GLY H H 1 8.036 . . 1 . . . . . . . . 4354 1 460 . 1 1 74 74 GLY CA C 13 45.807 . . 1 . . . . . . . . 4354 1 461 . 1 1 74 74 GLY C C 13 175.952 . . 1 . . . . . . . . 4354 1 462 . 1 1 75 75 LEU N N 15 113.771 . . 1 . . . . . . . . 4354 1 463 . 1 1 75 75 LEU H H 1 7.829 . . 1 . . . . . . . . 4354 1 464 . 1 1 75 75 LEU CA C 13 55.052 . . 1 . . . . . . . . 4354 1 465 . 1 1 75 75 LEU CB C 13 41.971 . . 1 . . . . . . . . 4354 1 466 . 1 1 75 75 LEU CG C 13 25.584 . . 1 . . . . . . . . 4354 1 467 . 1 1 75 75 LEU CD1 C 13 25.725 . . 1 . . . . . . . . 4354 1 468 . 1 1 75 75 LEU HD11 H 1 0.638 . . 1 . . . . . . . . 4354 1 469 . 1 1 75 75 LEU HD12 H 1 0.638 . . 1 . . . . . . . . 4354 1 470 . 1 1 75 75 LEU HD13 H 1 0.638 . . 1 . . . . . . . . 4354 1 471 . 1 1 75 75 LEU CD2 C 13 20.693 . . 1 . . . . . . . . 4354 1 472 . 1 1 75 75 LEU HD21 H 1 0.516 . . 1 . . . . . . . . 4354 1 473 . 1 1 75 75 LEU HD22 H 1 0.516 . . 1 . . . . . . . . 4354 1 474 . 1 1 75 75 LEU HD23 H 1 0.516 . . 1 . . . . . . . . 4354 1 475 . 1 1 75 75 LEU C C 13 177.483 . . 1 . . . . . . . . 4354 1 476 . 1 1 76 76 LEU N N 15 116.035 . . 1 . . . . . . . . 4354 1 477 . 1 1 76 76 LEU H H 1 7.426 . . 1 . . . . . . . . 4354 1 478 . 1 1 76 76 LEU CA C 13 52.035 . . 1 . . . . . . . . 4354 1 479 . 1 1 76 76 LEU CB C 13 42.899 . . 1 . . . . . . . . 4354 1 480 . 1 1 76 76 LEU CG C 13 26.525 . . 1 . . . . . . . . 4354 1 481 . 1 1 76 76 LEU CD1 C 13 27.203 . . 1 . . . . . . . . 4354 1 482 . 1 1 76 76 LEU HD11 H 1 0.862 . . 1 . . . . . . . . 4354 1 483 . 1 1 76 76 LEU HD12 H 1 0.862 . . 1 . . . . . . . . 4354 1 484 . 1 1 76 76 LEU HD13 H 1 0.862 . . 1 . . . . . . . . 4354 1 485 . 1 1 76 76 LEU CD2 C 13 21.772 . . 1 . . . . . . . . 4354 1 486 . 1 1 76 76 LEU HD21 H 1 0.516 . . 1 . . . . . . . . 4354 1 487 . 1 1 76 76 LEU HD22 H 1 0.516 . . 1 . . . . . . . . 4354 1 488 . 1 1 76 76 LEU HD23 H 1 0.516 . . 1 . . . . . . . . 4354 1 489 . 1 1 76 76 LEU C C 13 176.491 . . 1 . . . . . . . . 4354 1 490 . 1 1 77 77 ALA N N 15 125.983 . . 1 . . . . . . . . 4354 1 491 . 1 1 77 77 ALA H H 1 9.024 . . 1 . . . . . . . . 4354 1 492 . 1 1 77 77 ALA CA C 13 50.450 . . 1 . . . . . . . . 4354 1 493 . 1 1 77 77 ALA CB C 13 18.310 . . 1 . . . . . . . . 4354 1 494 . 1 1 77 77 ALA C C 13 176.223 . . 1 . . . . . . . . 4354 1 495 . 1 1 78 78 GLU N N 15 120.908 . . 1 . . . . . . . . 4354 1 496 . 1 1 78 78 GLU H H 1 8.186 . . 1 . . . . . . . . 4354 1 497 . 1 1 78 78 GLU CA C 13 55.759 . . 1 . . . . . . . . 4354 1 498 . 1 1 78 78 GLU CB C 13 28.773 . . 1 . . . . . . . . 4354 1 499 . 1 1 78 78 GLU C C 13 176.549 . . 1 . . . . . . . . 4354 1 500 . 1 1 79 79 ILE N N 15 122.771 . . 1 . . . . . . . . 4354 1 501 . 1 1 79 79 ILE H H 1 8.174 . . 1 . . . . . . . . 4354 1 502 . 1 1 79 79 ILE CA C 13 59.095 . . 1 . . . . . . . . 4354 1 503 . 1 1 79 79 ILE CB C 13 38.448 . . 1 . . . . . . . . 4354 1 504 . 1 1 79 79 ILE CG1 C 13 25.497 . . 1 . . . . . . . . 4354 1 505 . 1 1 79 79 ILE CD1 C 13 12.326 . . 1 . . . . . . . . 4354 1 506 . 1 1 79 79 ILE HD11 H 1 0.171 . . 1 . . . . . . . . 4354 1 507 . 1 1 79 79 ILE HD12 H 1 0.171 . . 1 . . . . . . . . 4354 1 508 . 1 1 79 79 ILE HD13 H 1 0.171 . . 1 . . . . . . . . 4354 1 509 . 1 1 79 79 ILE CG2 C 13 17.578 . . 1 . . . . . . . . 4354 1 510 . 1 1 79 79 ILE HG21 H 1 0.647 . . 1 . . . . . . . . 4354 1 511 . 1 1 79 79 ILE HG22 H 1 0.647 . . 1 . . . . . . . . 4354 1 512 . 1 1 79 79 ILE HG23 H 1 0.647 . . 1 . . . . . . . . 4354 1 513 . 1 1 79 79 ILE C C 13 175.459 . . 1 . . . . . . . . 4354 1 514 . 1 1 80 80 THR N N 15 112.714 . . 1 . . . . . . . . 4354 1 515 . 1 1 80 80 THR H H 1 8.734 . . 1 . . . . . . . . 4354 1 516 . 1 1 80 80 THR CA C 13 57.256 . . 1 . . . . . . . . 4354 1 517 . 1 1 80 80 THR CB C 13 68.682 . . 1 . . . . . . . . 4354 1 518 . 1 1 81 81 PRO CA C 13 61.791 . . 1 . . . . . . . . 4354 1 519 . 1 1 81 81 PRO CB C 13 31.035 . . 1 . . . . . . . . 4354 1 520 . 1 1 81 81 PRO C C 13 177.322 . . 1 . . . . . . . . 4354 1 521 . 1 1 82 82 ASP N N 15 123.615 . . 1 . . . . . . . . 4354 1 522 . 1 1 82 82 ASP H H 1 9.062 . . 1 . . . . . . . . 4354 1 523 . 1 1 82 82 ASP CA C 13 52.964 . . 1 . . . . . . . . 4354 1 524 . 1 1 82 82 ASP CB C 13 40.944 . . 1 . . . . . . . . 4354 1 525 . 1 1 83 83 LYS CA C 13 59.220 . . 1 . . . . . . . . 4354 1 526 . 1 1 83 83 LYS CB C 13 31.081 . . 1 . . . . . . . . 4354 1 527 . 1 1 83 83 LYS C C 13 177.472 . . 1 . . . . . . . . 4354 1 528 . 1 1 84 84 ALA N N 15 119.410 . . 1 . . . . . . . . 4354 1 529 . 1 1 84 84 ALA H H 1 8.193 . . 1 . . . . . . . . 4354 1 530 . 1 1 84 84 ALA CA C 13 54.221 . . 1 . . . . . . . . 4354 1 531 . 1 1 84 84 ALA CB C 13 16.902 . . 1 . . . . . . . . 4354 1 532 . 1 1 84 84 ALA C C 13 180.128 . . 1 . . . . . . . . 4354 1 533 . 1 1 85 85 PHE N N 15 118.531 . . 1 . . . . . . . . 4354 1 534 . 1 1 85 85 PHE H H 1 7.917 . . 1 . . . . . . . . 4354 1 535 . 1 1 85 85 PHE CA C 13 61.722 . . 1 . . . . . . . . 4354 1 536 . 1 1 85 85 PHE CB C 13 38.483 . . 1 . . . . . . . . 4354 1 537 . 1 1 85 85 PHE C C 13 178.096 . . 1 . . . . . . . . 4354 1 538 . 1 1 86 86 GLN N N 15 117.150 . . 1 . . . . . . . . 4354 1 539 . 1 1 86 86 GLN H H 1 8.491 . . 1 . . . . . . . . 4354 1 540 . 1 1 86 86 GLN CA C 13 59.123 . . 1 . . . . . . . . 4354 1 541 . 1 1 86 86 GLN CB C 13 27.655 . . 1 . . . . . . . . 4354 1 542 . 1 1 86 86 GLN C C 13 179.849 . . 1 . . . . . . . . 4354 1 543 . 1 1 87 87 ASP N N 15 116.882 . . 1 . . . . . . . . 4354 1 544 . 1 1 87 87 ASP H H 1 8.064 . . 1 . . . . . . . . 4354 1 545 . 1 1 87 87 ASP CA C 13 55.523 . . 1 . . . . . . . . 4354 1 546 . 1 1 87 87 ASP CB C 13 40.292 . . 1 . . . . . . . . 4354 1 547 . 1 1 87 87 ASP C C 13 176.306 . . 1 . . . . . . . . 4354 1 548 . 1 1 88 88 LYS N N 15 117.171 . . 1 . . . . . . . . 4354 1 549 . 1 1 88 88 LYS H H 1 7.791 . . 1 . . . . . . . . 4354 1 550 . 1 1 88 88 LYS CA C 13 57.580 . . 1 . . . . . . . . 4354 1 551 . 1 1 88 88 LYS CB C 13 31.333 . . 1 . . . . . . . . 4354 1 552 . 1 1 88 88 LYS C C 13 176.580 . . 1 . . . . . . . . 4354 1 553 . 1 1 89 89 LEU N N 15 120.029 . . 1 . . . . . . . . 4354 1 554 . 1 1 89 89 LEU H H 1 7.650 . . 1 . . . . . . . . 4354 1 555 . 1 1 89 89 LEU CA C 13 52.912 . . 1 . . . . . . . . 4354 1 556 . 1 1 89 89 LEU CB C 13 41.978 . . 1 . . . . . . . . 4354 1 557 . 1 1 89 89 LEU CG C 13 28.095 . . 1 . . . . . . . . 4354 1 558 . 1 1 89 89 LEU CD1 C 13 26.107 . . 1 . . . . . . . . 4354 1 559 . 1 1 89 89 LEU C C 13 176.257 . . 1 . . . . . . . . 4354 1 560 . 1 1 89 89 LEU HD11 H 1 0.546 . . 1 . . . . . . . . 4354 1 561 . 1 1 89 89 LEU HD12 H 1 0.546 . . 1 . . . . . . . . 4354 1 562 . 1 1 89 89 LEU HD13 H 1 0.546 . . 1 . . . . . . . . 4354 1 563 . 1 1 89 89 LEU CD2 C 13 25.230 . . 1 . . . . . . . . 4354 1 564 . 1 1 89 89 LEU HD21 H 1 0.501 . . 1 . . . . . . . . 4354 1 565 . 1 1 89 89 LEU HD22 H 1 0.501 . . 1 . . . . . . . . 4354 1 566 . 1 1 89 89 LEU HD23 H 1 0.501 . . 1 . . . . . . . . 4354 1 567 . 1 1 90 90 TYR N N 15 117.006 . . 1 . . . . . . . . 4354 1 568 . 1 1 90 90 TYR H H 1 7.717 . . 1 . . . . . . . . 4354 1 569 . 1 1 90 90 TYR CA C 13 58.474 . . 1 . . . . . . . . 4354 1 570 . 1 1 90 90 TYR CB C 13 38.388 . . 1 . . . . . . . . 4354 1 571 . 1 1 91 91 PRO CA C 13 66.217 . . 1 . . . . . . . . 4354 1 572 . 1 1 91 91 PRO CB C 13 30.833 . . 1 . . . . . . . . 4354 1 573 . 1 1 91 91 PRO C C 13 179.350 . . 1 . . . . . . . . 4354 1 574 . 1 1 92 92 PHE N N 15 112.695 . . 1 . . . . . . . . 4354 1 575 . 1 1 92 92 PHE H H 1 8.008 . . 1 . . . . . . . . 4354 1 576 . 1 1 92 92 PHE CA C 13 58.702 . . 1 . . . . . . . . 4354 1 577 . 1 1 92 92 PHE CB C 13 36.115 . . 1 . . . . . . . . 4354 1 578 . 1 1 92 92 PHE C C 13 176.165 . . 1 . . . . . . . . 4354 1 579 . 1 1 93 93 THR N N 15 111.043 . . 1 . . . . . . . . 4354 1 580 . 1 1 93 93 THR H H 1 7.103 . . 1 . . . . . . . . 4354 1 581 . 1 1 93 93 THR CA C 13 64.143 . . 1 . . . . . . . . 4354 1 582 . 1 1 93 93 THR CB C 13 66.513 . . 1 . . . . . . . . 4354 1 583 . 1 1 93 93 THR C C 13 176.221 . . 1 . . . . . . . . 4354 1 584 . 1 1 94 94 TRP N N 15 119.822 . . 1 . . . . . . . . 4354 1 585 . 1 1 94 94 TRP H H 1 6.663 . . 1 . . . . . . . . 4354 1 586 . 1 1 94 94 TRP CA C 13 57.955 . . 1 . . . . . . . . 4354 1 587 . 1 1 94 94 TRP CB C 13 28.794 . . 1 . . . . . . . . 4354 1 588 . 1 1 94 94 TRP C C 13 178.105 . . 1 . . . . . . . . 4354 1 589 . 1 1 95 95 ASP N N 15 115.514 . . 1 . . . . . . . . 4354 1 590 . 1 1 95 95 ASP H H 1 7.254 . . 1 . . . . . . . . 4354 1 591 . 1 1 95 95 ASP CA C 13 56.665 . . 1 . . . . . . . . 4354 1 592 . 1 1 95 95 ASP CB C 13 39.326 . . 1 . . . . . . . . 4354 1 593 . 1 1 95 95 ASP C C 13 178.216 . . 1 . . . . . . . . 4354 1 594 . 1 1 96 96 ALA N N 15 118.598 . . 1 . . . . . . . . 4354 1 595 . 1 1 96 96 ALA H H 1 6.996 . . 1 . . . . . . . . 4354 1 596 . 1 1 96 96 ALA CA C 13 53.097 . . 1 . . . . . . . . 4354 1 597 . 1 1 96 96 ALA CB C 13 17.171 . . 1 . . . . . . . . 4354 1 598 . 1 1 96 96 ALA C C 13 176.659 . . 1 . . . . . . . . 4354 1 599 . 1 1 97 97 VAL N N 15 106.048 . . 1 . . . . . . . . 4354 1 600 . 1 1 97 97 VAL H H 1 6.974 . . 1 . . . . . . . . 4354 1 601 . 1 1 97 97 VAL CA C 13 59.141 . . 1 . . . . . . . . 4354 1 602 . 1 1 97 97 VAL CB C 13 30.273 . . 1 . . . . . . . . 4354 1 603 . 1 1 97 97 VAL CG2 C 13 19.482 . . 1 . . . . . . . . 4354 1 604 . 1 1 97 97 VAL HG21 H 1 1.354 . . 1 . . . . . . . . 4354 1 605 . 1 1 97 97 VAL HG22 H 1 1.354 . . 1 . . . . . . . . 4354 1 606 . 1 1 97 97 VAL HG23 H 1 1.354 . . 1 . . . . . . . . 4354 1 607 . 1 1 97 97 VAL CG1 C 13 22.207 . . 1 . . . . . . . . 4354 1 608 . 1 1 97 97 VAL HG11 H 1 0.585 . . 1 . . . . . . . . 4354 1 609 . 1 1 97 97 VAL HG12 H 1 0.585 . . 1 . . . . . . . . 4354 1 610 . 1 1 97 97 VAL HG13 H 1 0.585 . . 1 . . . . . . . . 4354 1 611 . 1 1 97 97 VAL C C 13 172.465 . . 1 . . . . . . . . 4354 1 612 . 1 1 98 98 ARG N N 15 121.274 . . 1 . . . . . . . . 4354 1 613 . 1 1 98 98 ARG H H 1 7.037 . . 1 . . . . . . . . 4354 1 614 . 1 1 98 98 ARG CA C 13 54.285 . . 1 . . . . . . . . 4354 1 615 . 1 1 98 98 ARG CB C 13 30.954 . . 1 . . . . . . . . 4354 1 616 . 1 1 98 98 ARG C C 13 176.403 . . 1 . . . . . . . . 4354 1 617 . 1 1 99 99 TYR N N 15 126.760 . . 1 . . . . . . . . 4354 1 618 . 1 1 99 99 TYR H H 1 9.686 . . 1 . . . . . . . . 4354 1 619 . 1 1 99 99 TYR CA C 13 57.755 . . 1 . . . . . . . . 4354 1 620 . 1 1 99 99 TYR CB C 13 41.234 . . 1 . . . . . . . . 4354 1 621 . 1 1 100 100 ASN CA C 13 53.259 . . 1 . . . . . . . . 4354 1 622 . 1 1 100 100 ASN CB C 13 36.538 . . 1 . . . . . . . . 4354 1 623 . 1 1 100 100 ASN C C 13 175.131 . . 1 . . . . . . . . 4354 1 624 . 1 1 101 101 GLY N N 15 102.20 . . 1 . . . . . . . . 4354 1 625 . 1 1 101 101 GLY H H 1 8.591 . . 1 . . . . . . . . 4354 1 626 . 1 1 101 101 GLY CA C 13 44.972 . . 1 . . . . . . . . 4354 1 627 . 1 1 101 101 GLY C C 13 173.747 . . 1 . . . . . . . . 4354 1 628 . 1 1 102 102 LYS N N 15 121.183 . . 1 . . . . . . . . 4354 1 629 . 1 1 102 102 LYS H H 1 7.759 . . 1 . . . . . . . . 4354 1 630 . 1 1 102 102 LYS CA C 13 54.019 . . 1 . . . . . . . . 4354 1 631 . 1 1 102 102 LYS CB C 13 34.068 . . 1 . . . . . . . . 4354 1 632 . 1 1 102 102 LYS C C 13 175.040 . . 1 . . . . . . . . 4354 1 633 . 1 1 103 103 LEU N N 15 123.364 . . 1 . . . . . . . . 4354 1 634 . 1 1 103 103 LEU H H 1 8.948 . . 1 . . . . . . . . 4354 1 635 . 1 1 103 103 LEU CA C 13 54.594 . . 1 . . . . . . . . 4354 1 636 . 1 1 103 103 LEU CB C 13 41.609 . . 1 . . . . . . . . 4354 1 637 . 1 1 103 103 LEU CG C 13 25.965 . . 1 . . . . . . . . 4354 1 638 . 1 1 103 103 LEU CD1 C 13 24.815 . . 1 . . . . . . . . 4354 1 639 . 1 1 103 103 LEU HD11 H 1 0.523 . . 1 . . . . . . . . 4354 1 640 . 1 1 103 103 LEU HD12 H 1 0.523 . . 1 . . . . . . . . 4354 1 641 . 1 1 103 103 LEU HD13 H 1 0.523 . . 1 . . . . . . . . 4354 1 642 . 1 1 103 103 LEU CD2 C 13 24.237 . . 1 . . . . . . . . 4354 1 643 . 1 1 103 103 LEU HD21 H 1 0.986 . . 1 . . . . . . . . 4354 1 644 . 1 1 103 103 LEU HD22 H 1 0.986 . . 1 . . . . . . . . 4354 1 645 . 1 1 103 103 LEU HD23 H 1 0.986 . . 1 . . . . . . . . 4354 1 646 . 1 1 103 103 LEU C C 13 178.266 . . 1 . . . . . . . . 4354 1 647 . 1 1 104 104 ILE N N 15 112.703 . . 1 . . . . . . . . 4354 1 648 . 1 1 104 104 ILE H H 1 8.806 . . 1 . . . . . . . . 4354 1 649 . 1 1 104 104 ILE CA C 13 59.107 . . 1 . . . . . . . . 4354 1 650 . 1 1 104 104 ILE CB C 13 38.509 . . 1 . . . . . . . . 4354 1 651 . 1 1 104 104 ILE CG1 C 13 26.677 . . 1 . . . . . . . . 4354 1 652 . 1 1 104 104 ILE CD1 C 13 14.654 . . 1 . . . . . . . . 4354 1 653 . 1 1 104 104 ILE HD11 H 1 0.856 . . 1 . . . . . . . . 4354 1 654 . 1 1 104 104 ILE HD12 H 1 0.856 . . 1 . . . . . . . . 4354 1 655 . 1 1 104 104 ILE HD13 H 1 0.856 . . 1 . . . . . . . . 4354 1 656 . 1 1 104 104 ILE CG2 C 13 19.636 . . 1 . . . . . . . . 4354 1 657 . 1 1 104 104 ILE HG21 H 1 0.874 . . 1 . . . . . . . . 4354 1 658 . 1 1 104 104 ILE HG22 H 1 0.874 . . 1 . . . . . . . . 4354 1 659 . 1 1 104 104 ILE HG23 H 1 0.874 . . 1 . . . . . . . . 4354 1 660 . 1 1 104 104 ILE C C 13 175.297 . . 1 . . . . . . . . 4354 1 661 . 1 1 105 105 ALA N N 15 117.214 . . 1 . . . . . . . . 4354 1 662 . 1 1 105 105 ALA H H 1 7.669 . . 1 . . . . . . . . 4354 1 663 . 1 1 105 105 ALA CA C 13 51.479 . . 1 . . . . . . . . 4354 1 664 . 1 1 105 105 ALA CB C 13 21.391 . . 1 . . . . . . . . 4354 1 665 . 1 1 105 105 ALA C C 13 173.514 . . 1 . . . . . . . . 4354 1 666 . 1 1 106 106 TYR N N 15 113.725 . . 1 . . . . . . . . 4354 1 667 . 1 1 106 106 TYR H H 1 8.958 . . 1 . . . . . . . . 4354 1 668 . 1 1 106 106 TYR CA C 13 55.395 . . 1 . . . . . . . . 4354 1 669 . 1 1 106 106 TYR CB C 13 39.348 . . 1 . . . . . . . . 4354 1 670 . 1 1 107 107 PRO CA C 13 61.764 . . 1 . . . . . . . . 4354 1 671 . 1 1 107 107 PRO CB C 13 32.194 . . 1 . . . . . . . . 4354 1 672 . 1 1 107 107 PRO C C 13 174.363 . . 1 . . . . . . . . 4354 1 673 . 1 1 108 108 ILE N N 15 115.410 . . 1 . . . . . . . . 4354 1 674 . 1 1 108 108 ILE H H 1 8.500 . . 1 . . . . . . . . 4354 1 675 . 1 1 108 108 ILE CA C 13 60.331 . . 1 . . . . . . . . 4354 1 676 . 1 1 108 108 ILE CB C 13 37.082 . . 1 . . . . . . . . 4354 1 677 . 1 1 108 108 ILE CG1 C 13 25.268 . . 1 . . . . . . . . 4354 1 678 . 1 1 108 108 ILE CD1 C 13 10.048 . . 1 . . . . . . . . 4354 1 679 . 1 1 108 108 ILE HD11 H 1 0.650 . . 1 . . . . . . . . 4354 1 680 . 1 1 108 108 ILE HD12 H 1 0.650 . . 1 . . . . . . . . 4354 1 681 . 1 1 108 108 ILE HD13 H 1 0.650 . . 1 . . . . . . . . 4354 1 682 . 1 1 108 108 ILE CG2 C 13 15.894 . . 1 . . . . . . . . 4354 1 683 . 1 1 108 108 ILE HG21 H 1 0.839 . . 1 . . . . . . . . 4354 1 684 . 1 1 108 108 ILE HG22 H 1 0.839 . . 1 . . . . . . . . 4354 1 685 . 1 1 108 108 ILE HG23 H 1 0.839 . . 1 . . . . . . . . 4354 1 686 . 1 1 108 108 ILE C C 13 176.343 . . 1 . . . . . . . . 4354 1 687 . 1 1 109 109 ALA N N 15 118.306 . . 1 . . . . . . . . 4354 1 688 . 1 1 109 109 ALA H H 1 7.872 . . 1 . . . . . . . . 4354 1 689 . 1 1 109 109 ALA CA C 13 50.078 . . 1 . . . . . . . . 4354 1 690 . 1 1 109 109 ALA CB C 13 22.605 . . 1 . . . . . . . . 4354 1 691 . 1 1 109 109 ALA C C 13 174.483 . . 1 . . . . . . . . 4354 1 692 . 1 1 110 110 VAL N N 15 120.942 . . 1 . . . . . . . . 4354 1 693 . 1 1 110 110 VAL H H 1 8.759 . . 1 . . . . . . . . 4354 1 694 . 1 1 110 110 VAL CA C 13 61.361 . . 1 . . . . . . . . 4354 1 695 . 1 1 110 110 VAL CB C 13 33.859 . . 1 . . . . . . . . 4354 1 696 . 1 1 110 110 VAL CG2 C 13 20.747 . . 1 . . . . . . . . 4354 1 697 . 1 1 110 110 VAL HG21 H 1 0.505 . . 1 . . . . . . . . 4354 1 698 . 1 1 110 110 VAL HG22 H 1 0.505 . . 1 . . . . . . . . 4354 1 699 . 1 1 110 110 VAL HG23 H 1 0.505 . . 1 . . . . . . . . 4354 1 700 . 1 1 110 110 VAL CG1 C 13 21.169 . . 1 . . . . . . . . 4354 1 701 . 1 1 110 110 VAL HG11 H 1 0.753 . . 1 . . . . . . . . 4354 1 702 . 1 1 110 110 VAL HG12 H 1 0.753 . . 1 . . . . . . . . 4354 1 703 . 1 1 110 110 VAL HG13 H 1 0.753 . . 1 . . . . . . . . 4354 1 704 . 1 1 110 110 VAL C C 13 173.524 . . 1 . . . . . . . . 4354 1 705 . 1 1 111 111 GLU N N 15 123.492 . . 1 . . . . . . . . 4354 1 706 . 1 1 111 111 GLU H H 1 9.559 . . 1 . . . . . . . . 4354 1 707 . 1 1 111 111 GLU CA C 13 54.374 . . 1 . . . . . . . . 4354 1 708 . 1 1 111 111 GLU CB C 13 32.509 . . 1 . . . . . . . . 4354 1 709 . 1 1 111 111 GLU C C 13 173.654 . . 1 . . . . . . . . 4354 1 710 . 1 1 112 112 ALA N N 15 117.454 . . 1 . . . . . . . . 4354 1 711 . 1 1 112 112 ALA H H 1 6.379 . . 1 . . . . . . . . 4354 1 712 . 1 1 112 112 ALA CA C 13 50.282 . . 1 . . . . . . . . 4354 1 713 . 1 1 112 112 ALA CB C 13 21.474 . . 1 . . . . . . . . 4354 1 714 . 1 1 112 112 ALA C C 13 176.296 . . 1 . . . . . . . . 4354 1 715 . 1 1 113 113 LEU N N 15 122.970 . . 1 . . . . . . . . 4354 1 716 . 1 1 113 113 LEU H H 1 8.420 . . 1 . . . . . . . . 4354 1 717 . 1 1 113 113 LEU CA C 13 54.543 . . 1 . . . . . . . . 4354 1 718 . 1 1 113 113 LEU CB C 13 42.782 . . 1 . . . . . . . . 4354 1 719 . 1 1 113 113 LEU CG C 13 25.064 . . 1 . . . . . . . . 4354 1 720 . 1 1 113 113 LEU CD1 C 13 26.851 . . 1 . . . . . . . . 4354 1 721 . 1 1 113 113 LEU HD11 H 1 0.715 . . 1 . . . . . . . . 4354 1 722 . 1 1 113 113 LEU HD12 H 1 0.715 . . 1 . . . . . . . . 4354 1 723 . 1 1 113 113 LEU HD13 H 1 0.715 . . 1 . . . . . . . . 4354 1 724 . 1 1 113 113 LEU CD2 C 13 23.625 . . 1 . . . . . . . . 4354 1 725 . 1 1 113 113 LEU HD21 H 1 0.854 . . 1 . . . . . . . . 4354 1 726 . 1 1 113 113 LEU HD22 H 1 0.854 . . 1 . . . . . . . . 4354 1 727 . 1 1 113 113 LEU HD23 H 1 0.854 . . 1 . . . . . . . . 4354 1 728 . 1 1 113 113 LEU C C 13 173.342 . . 1 . . . . . . . . 4354 1 729 . 1 1 114 114 SER N N 15 107.984 . . 1 . . . . . . . . 4354 1 730 . 1 1 114 114 SER H H 1 7.464 . . 1 . . . . . . . . 4354 1 731 . 1 1 114 114 SER CA C 13 56.553 . . 1 . . . . . . . . 4354 1 732 . 1 1 114 114 SER CB C 13 66.689 . . 1 . . . . . . . . 4354 1 733 . 1 1 114 114 SER C C 13 171.741 . . 1 . . . . . . . . 4354 1 734 . 1 1 115 115 LEU N N 15 122.091 . . 1 . . . . . . . . 4354 1 735 . 1 1 115 115 LEU H H 1 7.280 . . 1 . . . . . . . . 4354 1 736 . 1 1 115 115 LEU CA C 13 53.808 . . 1 . . . . . . . . 4354 1 737 . 1 1 115 115 LEU CB C 13 43.068 . . 1 . . . . . . . . 4354 1 738 . 1 1 115 115 LEU CG C 13 26.632 . . 1 . . . . . . . . 4354 1 739 . 1 1 115 115 LEU CD1 C 13 22.828 . . 1 . . . . . . . . 4354 1 740 . 1 1 115 115 LEU HD11 H 1 0.684 . . 1 . . . . . . . . 4354 1 741 . 1 1 115 115 LEU HD12 H 1 0.684 . . 1 . . . . . . . . 4354 1 742 . 1 1 115 115 LEU HD13 H 1 0.684 . . 1 . . . . . . . . 4354 1 743 . 1 1 115 115 LEU CD2 C 13 24.605 . . 1 . . . . . . . . 4354 1 744 . 1 1 115 115 LEU HD21 H 1 0.588 . . 1 . . . . . . . . 4354 1 745 . 1 1 115 115 LEU HD22 H 1 0.588 . . 1 . . . . . . . . 4354 1 746 . 1 1 115 115 LEU HD23 H 1 0.588 . . 1 . . . . . . . . 4354 1 747 . 1 1 115 115 LEU C C 13 173.979 . . 1 . . . . . . . . 4354 1 748 . 1 1 116 116 ILE N N 15 129.558 . . 1 . . . . . . . . 4354 1 749 . 1 1 116 116 ILE H H 1 8.642 . . 1 . . . . . . . . 4354 1 750 . 1 1 116 116 ILE CA C 13 59.470 . . 1 . . . . . . . . 4354 1 751 . 1 1 116 116 ILE CB C 13 37.551 . . 1 . . . . . . . . 4354 1 752 . 1 1 116 116 ILE CG1 C 13 26.378 . . 1 . . . . . . . . 4354 1 753 . 1 1 116 116 ILE CD1 C 13 13.724 . . 1 . . . . . . . . 4354 1 754 . 1 1 116 116 ILE HD11 H 1 0.462 . . 1 . . . . . . . . 4354 1 755 . 1 1 116 116 ILE HD12 H 1 0.462 . . 1 . . . . . . . . 4354 1 756 . 1 1 116 116 ILE HD13 H 1 0.462 . . 1 . . . . . . . . 4354 1 757 . 1 1 116 116 ILE CG2 C 13 17.310 . . 1 . . . . . . . . 4354 1 758 . 1 1 116 116 ILE HG21 H 1 0.453 . . 1 . . . . . . . . 4354 1 759 . 1 1 116 116 ILE HG22 H 1 0.453 . . 1 . . . . . . . . 4354 1 760 . 1 1 116 116 ILE HG23 H 1 0.453 . . 1 . . . . . . . . 4354 1 761 . 1 1 116 116 ILE C C 13 174.372 . . 1 . . . . . . . . 4354 1 762 . 1 1 117 117 TYR N N 15 121.731 . . 1 . . . . . . . . 4354 1 763 . 1 1 117 117 TYR H H 1 9.057 . . 1 . . . . . . . . 4354 1 764 . 1 1 117 117 TYR CA C 13 54.000 . . 1 . . . . . . . . 4354 1 765 . 1 1 117 117 TYR CB C 13 41.625 . . 1 . . . . . . . . 4354 1 766 . 1 1 117 117 TYR C C 13 172.684 . . 1 . . . . . . . . 4354 1 767 . 1 1 118 118 ASN N N 15 121.140 . . 1 . . . . . . . . 4354 1 768 . 1 1 118 118 ASN H H 1 9.302 . . 1 . . . . . . . . 4354 1 769 . 1 1 118 118 ASN CA C 13 51.565 . . 1 . . . . . . . . 4354 1 770 . 1 1 118 118 ASN CB C 13 37.122 . . 1 . . . . . . . . 4354 1 771 . 1 1 118 118 ASN C C 13 175.506 . . 1 . . . . . . . . 4354 1 772 . 1 1 119 119 LYS N N 15 125.460 . . 1 . . . . . . . . 4354 1 773 . 1 1 119 119 LYS H H 1 8.786 . . 1 . . . . . . . . 4354 1 774 . 1 1 119 119 LYS CA C 13 58.109 . . 1 . . . . . . . . 4354 1 775 . 1 1 119 119 LYS CB C 13 31.955 . . 1 . . . . . . . . 4354 1 776 . 1 1 119 119 LYS C C 13 177.418 . . 1 . . . . . . . . 4354 1 777 . 1 1 120 120 ASP N N 15 115.604 . . 1 . . . . . . . . 4354 1 778 . 1 1 120 120 ASP H H 1 8.146 . . 1 . . . . . . . . 4354 1 779 . 1 1 120 120 ASP CA C 13 55.771 . . 1 . . . . . . . . 4354 1 780 . 1 1 120 120 ASP CB C 13 39.805 . . 1 . . . . . . . . 4354 1 781 . 1 1 120 120 ASP C C 13 177.378 . . 1 . . . . . . . . 4354 1 782 . 1 1 121 121 LEU N N 15 117.771 . . 1 . . . . . . . . 4354 1 783 . 1 1 121 121 LEU H H 1 7.112 . . 1 . . . . . . . . 4354 1 784 . 1 1 121 121 LEU CA C 13 54.837 . . 1 . . . . . . . . 4354 1 785 . 1 1 121 121 LEU CB C 13 43.418 . . 1 . . . . . . . . 4354 1 786 . 1 1 121 121 LEU CG C 13 26.068 . . 1 . . . . . . . . 4354 1 787 . 1 1 121 121 LEU CD1 C 13 24.726 . . 1 . . . . . . . . 4354 1 788 . 1 1 121 121 LEU HD11 H 1 0.667 . . 1 . . . . . . . . 4354 1 789 . 1 1 121 121 LEU HD12 H 1 0.667 . . 1 . . . . . . . . 4354 1 790 . 1 1 121 121 LEU HD13 H 1 0.667 . . 1 . . . . . . . . 4354 1 791 . 1 1 121 121 LEU CD2 C 13 22.791 . . 1 . . . . . . . . 4354 1 792 . 1 1 121 121 LEU HD21 H 1 0.779 . . 1 . . . . . . . . 4354 1 793 . 1 1 121 121 LEU HD22 H 1 0.779 . . 1 . . . . . . . . 4354 1 794 . 1 1 121 121 LEU HD23 H 1 0.779 . . 1 . . . . . . . . 4354 1 795 . 1 1 121 121 LEU C C 13 176.467 . . 1 . . . . . . . . 4354 1 796 . 1 1 122 122 LEU N N 15 119.843 . . 1 . . . . . . . . 4354 1 797 . 1 1 122 122 LEU H H 1 8.319 . . 1 . . . . . . . . 4354 1 798 . 1 1 122 122 LEU CA C 13 51.127 . . 1 . . . . . . . . 4354 1 799 . 1 1 122 122 LEU CB C 13 43.407 . . 1 . . . . . . . . 4354 1 800 . 1 1 122 122 LEU CG C 13 26.052 . . 1 . . . . . . . . 4354 1 801 . 1 1 122 122 LEU CD1 C 13 25.616 . . 1 . . . . . . . . 4354 1 802 . 1 1 122 122 LEU HD11 H 1 0.937 . . 1 . . . . . . . . 4354 1 803 . 1 1 122 122 LEU HD12 H 1 0.937 . . 1 . . . . . . . . 4354 1 804 . 1 1 122 122 LEU HD13 H 1 0.937 . . 1 . . . . . . . . 4354 1 805 . 1 1 122 122 LEU CD2 C 13 26.775 . . 1 . . . . . . . . 4354 1 806 . 1 1 122 122 LEU HD21 H 1 0.945 . . 1 . . . . . . . . 4354 1 807 . 1 1 122 122 LEU HD22 H 1 0.945 . . 1 . . . . . . . . 4354 1 808 . 1 1 122 122 LEU HD23 H 1 0.945 . . 1 . . . . . . . . 4354 1 809 . 1 1 123 123 PRO CA C 13 61.791 . . 1 . . . . . . . . 4354 1 810 . 1 1 123 123 PRO CB C 13 31.035 . . 1 . . . . . . . . 4354 1 811 . 1 1 123 123 PRO C C 13 177.322 . . 1 . . . . . . . . 4354 1 812 . 1 1 124 124 ASN N N 15 123.615 . . 1 . . . . . . . . 4354 1 813 . 1 1 124 124 ASN H H 1 9.062 . . 1 . . . . . . . . 4354 1 814 . 1 1 124 124 ASN CA C 13 52.964 . . 1 . . . . . . . . 4354 1 815 . 1 1 124 124 ASN CB C 13 40.944 . . 1 . . . . . . . . 4354 1 816 . 1 1 126 126 PRO CA C 13 61.774 . . 1 . . . . . . . . 4354 1 817 . 1 1 126 126 PRO CB C 13 30.573 . . 1 . . . . . . . . 4354 1 818 . 1 1 126 126 PRO C C 13 175.835 . . 1 . . . . . . . . 4354 1 819 . 1 1 127 127 LYS N N 15 118.469 . . 1 . . . . . . . . 4354 1 820 . 1 1 127 127 LYS H H 1 8.117 . . 1 . . . . . . . . 4354 1 821 . 1 1 127 127 LYS CA C 13 55.965 . . 1 . . . . . . . . 4354 1 822 . 1 1 127 127 LYS CB C 13 32.562 . . 1 . . . . . . . . 4354 1 823 . 1 1 127 127 LYS C C 13 177.152 . . 1 . . . . . . . . 4354 1 824 . 1 1 128 128 THR N N 15 108.676 . . 1 . . . . . . . . 4354 1 825 . 1 1 128 128 THR H H 1 7.863 . . 1 . . . . . . . . 4354 1 826 . 1 1 128 128 THR CA C 13 59.464 . . 1 . . . . . . . . 4354 1 827 . 1 1 128 128 THR CB C 13 71.230 . . 1 . . . . . . . . 4354 1 828 . 1 1 128 128 THR C C 13 174.337 . . 1 . . . . . . . . 4354 1 829 . 1 1 129 129 TRP N N 15 123.811 . . 1 . . . . . . . . 4354 1 830 . 1 1 129 129 TRP H H 1 10.152 . . 1 . . . . . . . . 4354 1 831 . 1 1 129 129 TRP CA C 13 60.393 . . 1 . . . . . . . . 4354 1 832 . 1 1 129 129 TRP CB C 13 27.940 . . 1 . . . . . . . . 4354 1 833 . 1 1 129 129 TRP C C 13 179.650 . . 1 . . . . . . . . 4354 1 834 . 1 1 130 130 GLU N N 15 117.989 . . 1 . . . . . . . . 4354 1 835 . 1 1 130 130 GLU H H 1 10.571 . . 1 . . . . . . . . 4354 1 836 . 1 1 130 130 GLU CA C 13 61.152 . . 1 . . . . . . . . 4354 1 837 . 1 1 130 130 GLU CB C 13 27.554 . . 1 . . . . . . . . 4354 1 838 . 1 1 130 130 GLU C C 13 178.368 . . 1 . . . . . . . . 4354 1 839 . 1 1 131 131 GLU N N 15 116.640 . . 1 . . . . . . . . 4354 1 840 . 1 1 131 131 GLU H H 1 7.595 . . 1 . . . . . . . . 4354 1 841 . 1 1 131 131 GLU CA C 13 56.554 . . 1 . . . . . . . . 4354 1 842 . 1 1 131 131 GLU CB C 13 30.630 . . 1 . . . . . . . . 4354 1 843 . 1 1 131 131 GLU C C 13 176.729 . . 1 . . . . . . . . 4354 1 844 . 1 1 132 132 ILE N N 15 121.552 . . 1 . . . . . . . . 4354 1 845 . 1 1 132 132 ILE H H 1 8.186 . . 1 . . . . . . . . 4354 1 846 . 1 1 132 132 ILE CA C 13 66.318 . . 1 . . . . . . . . 4354 1 847 . 1 1 132 132 ILE CB C 13 33.444 . . 1 . . . . . . . . 4354 1 848 . 1 1 132 132 ILE CG1 C 13 29.579 . . 1 . . . . . . . . 4354 1 849 . 1 1 132 132 ILE CD1 C 13 12.401 . . 1 . . . . . . . . 4354 1 850 . 1 1 132 132 ILE HD11 H 1 0.564 . . 1 . . . . . . . . 4354 1 851 . 1 1 132 132 ILE HD12 H 1 0.564 . . 1 . . . . . . . . 4354 1 852 . 1 1 132 132 ILE HD13 H 1 0.564 . . 1 . . . . . . . . 4354 1 853 . 1 1 132 132 ILE CG2 C 13 16.112 . . 1 . . . . . . . . 4354 1 854 . 1 1 132 132 ILE HG21 H 1 0.788 . . 1 . . . . . . . . 4354 1 855 . 1 1 132 132 ILE HG22 H 1 0.788 . . 1 . . . . . . . . 4354 1 856 . 1 1 132 132 ILE HG23 H 1 0.788 . . 1 . . . . . . . . 4354 1 857 . 1 1 133 133 PRO CA C 13 66.476 . . 1 . . . . . . . . 4354 1 858 . 1 1 133 133 PRO CB C 13 29.857 . . 1 . . . . . . . . 4354 1 859 . 1 1 133 133 PRO C C 13 177.450 . . 1 . . . . . . . . 4354 1 860 . 1 1 134 134 ALA N N 15 118.070 . . 1 . . . . . . . . 4354 1 861 . 1 1 134 134 ALA H H 1 7.803 . . 1 . . . . . . . . 4354 1 862 . 1 1 134 134 ALA CA C 13 54.614 . . 1 . . . . . . . . 4354 1 863 . 1 1 134 134 ALA CB C 13 17.294 . . 1 . . . . . . . . 4354 1 864 . 1 1 134 134 ALA C C 13 180.986 . . 1 . . . . . . . . 4354 1 865 . 1 1 135 135 LEU N N 15 120.009 . . 1 . . . . . . . . 4354 1 866 . 1 1 135 135 LEU H H 1 7.602 . . 1 . . . . . . . . 4354 1 867 . 1 1 135 135 LEU CA C 13 56.809 . . 1 . . . . . . . . 4354 1 868 . 1 1 135 135 LEU CB C 13 41.352 . . 1 . . . . . . . . 4354 1 869 . 1 1 135 135 LEU CG C 13 26.229 . . 1 . . . . . . . . 4354 1 870 . 1 1 135 135 LEU CD1 C 13 24.030 . . 1 . . . . . . . . 4354 1 871 . 1 1 135 135 LEU HD11 H 1 0.890 . . 1 . . . . . . . . 4354 1 872 . 1 1 135 135 LEU HD12 H 1 0.890 . . 1 . . . . . . . . 4354 1 873 . 1 1 135 135 LEU HD13 H 1 0.890 . . 1 . . . . . . . . 4354 1 874 . 1 1 135 135 LEU CD2 C 13 24.239 . . 1 . . . . . . . . 4354 1 875 . 1 1 135 135 LEU HD21 H 1 0.888 . . 1 . . . . . . . . 4354 1 876 . 1 1 135 135 LEU HD22 H 1 0.888 . . 1 . . . . . . . . 4354 1 877 . 1 1 135 135 LEU HD23 H 1 0.888 . . 1 . . . . . . . . 4354 1 878 . 1 1 135 135 LEU C C 13 178.996 . . 1 . . . . . . . . 4354 1 879 . 1 1 136 136 ASP N N 15 118.531 . . 1 . . . . . . . . 4354 1 880 . 1 1 136 136 ASP H H 1 8.817 . . 1 . . . . . . . . 4354 1 881 . 1 1 136 136 ASP CA C 13 58.408 . . 1 . . . . . . . . 4354 1 882 . 1 1 136 136 ASP CB C 13 41.259 . . 1 . . . . . . . . 4354 1 883 . 1 1 136 136 ASP C C 13 177.122 . . 1 . . . . . . . . 4354 1 884 . 1 1 137 137 LYS N N 15 117.267 . . 1 . . . . . . . . 4354 1 885 . 1 1 137 137 LYS H H 1 8.029 . . 1 . . . . . . . . 4354 1 886 . 1 1 137 137 LYS CA C 13 59.759 . . 1 . . . . . . . . 4354 1 887 . 1 1 137 137 LYS CB C 13 31.388 . . 1 . . . . . . . . 4354 1 888 . 1 1 137 137 LYS C C 13 179.577 . . 1 . . . . . . . . 4354 1 889 . 1 1 138 138 GLU N N 15 118.554 . . 1 . . . . . . . . 4354 1 890 . 1 1 138 138 GLU H H 1 7.467 . . 1 . . . . . . . . 4354 1 891 . 1 1 138 138 GLU CA C 13 58.618 . . 1 . . . . . . . . 4354 1 892 . 1 1 138 138 GLU CB C 13 28.786 . . 1 . . . . . . . . 4354 1 893 . 1 1 138 138 GLU C C 13 179.496 . . 1 . . . . . . . . 4354 1 894 . 1 1 139 139 LEU N N 15 121.200 . . 1 . . . . . . . . 4354 1 895 . 1 1 139 139 LEU H H 1 8.396 . . 1 . . . . . . . . 4354 1 896 . 1 1 139 139 LEU CA C 13 57.376 . . 1 . . . . . . . . 4354 1 897 . 1 1 139 139 LEU CB C 13 39.742 . . 1 . . . . . . . . 4354 1 898 . 1 1 139 139 LEU CG C 13 27.235 . . 1 . . . . . . . . 4354 1 899 . 1 1 139 139 LEU CD1 C 13 25.914 . . 1 . . . . . . . . 4354 1 900 . 1 1 139 139 LEU HD11 H 1 0.787 . . 1 . . . . . . . . 4354 1 901 . 1 1 139 139 LEU HD12 H 1 0.787 . . 1 . . . . . . . . 4354 1 902 . 1 1 139 139 LEU HD13 H 1 0.787 . . 1 . . . . . . . . 4354 1 903 . 1 1 139 139 LEU CD2 C 13 23.005 . . 1 . . . . . . . . 4354 1 904 . 1 1 139 139 LEU HD21 H 1 0.854 . . 1 . . . . . . . . 4354 1 905 . 1 1 139 139 LEU HD22 H 1 0.854 . . 1 . . . . . . . . 4354 1 906 . 1 1 139 139 LEU HD23 H 1 0.854 . . 1 . . . . . . . . 4354 1 907 . 1 1 139 139 LEU C C 13 180.400 . . 1 . . . . . . . . 4354 1 908 . 1 1 140 140 LYS N N 15 124.092 . . 1 . . . . . . . . 4354 1 909 . 1 1 140 140 LYS H H 1 9.247 . . 1 . . . . . . . . 4354 1 910 . 1 1 140 140 LYS CA C 13 58.284 . . 1 . . . . . . . . 4354 1 911 . 1 1 140 140 LYS CB C 13 31.263 . . 1 . . . . . . . . 4354 1 912 . 1 1 140 140 LYS C C 13 181.328 . . 1 . . . . . . . . 4354 1 913 . 1 1 141 141 ALA N N 15 121.994 . . 1 . . . . . . . . 4354 1 914 . 1 1 141 141 ALA H H 1 7.255 . . 1 . . . . . . . . 4354 1 915 . 1 1 141 141 ALA CA C 13 53.808 . . 1 . . . . . . . . 4354 1 916 . 1 1 141 141 ALA CB C 13 17.169 . . 1 . . . . . . . . 4354 1 917 . 1 1 141 141 ALA C C 13 178.373 . . 1 . . . . . . . . 4354 1 918 . 1 1 142 142 LYS N N 15 115.771 . . 1 . . . . . . . . 4354 1 919 . 1 1 142 142 LYS H H 1 7.636 . . 1 . . . . . . . . 4354 1 920 . 1 1 142 142 LYS CA C 13 54.423 . . 1 . . . . . . . . 4354 1 921 . 1 1 142 142 LYS CB C 13 31.734 . . 1 . . . . . . . . 4354 1 922 . 1 1 142 142 LYS C C 13 176.494 . . 1 . . . . . . . . 4354 1 923 . 1 1 143 143 GLY N N 15 107.737 . . 1 . . . . . . . . 4354 1 924 . 1 1 143 143 GLY H H 1 7.870 . . 1 . . . . . . . . 4354 1 925 . 1 1 143 143 GLY CA C 13 45.520 . . 1 . . . . . . . . 4354 1 926 . 1 1 143 143 GLY C C 13 174.066 . . 1 . . . . . . . . 4354 1 927 . 1 1 144 144 LYS N N 15 119.876 . . 1 . . . . . . . . 4354 1 928 . 1 1 144 144 LYS H H 1 7.849 . . 1 . . . . . . . . 4354 1 929 . 1 1 144 144 LYS CA C 13 52.740 . . 1 . . . . . . . . 4354 1 930 . 1 1 144 144 LYS CB C 13 34.517 . . 1 . . . . . . . . 4354 1 931 . 1 1 144 144 LYS C C 13 173.568 . . 1 . . . . . . . . 4354 1 932 . 1 1 145 145 SER N N 15 109.461 . . 1 . . . . . . . . 4354 1 933 . 1 1 145 145 SER H H 1 7.567 . . 1 . . . . . . . . 4354 1 934 . 1 1 145 145 SER CA C 13 56.047 . . 1 . . . . . . . . 4354 1 935 . 1 1 145 145 SER CB C 13 65.829 . . 1 . . . . . . . . 4354 1 936 . 1 1 145 145 SER C C 13 174.422 . . 1 . . . . . . . . 4354 1 937 . 1 1 146 146 ALA N N 15 122.808 . . 1 . . . . . . . . 4354 1 938 . 1 1 146 146 ALA H H 1 9.573 . . 1 . . . . . . . . 4354 1 939 . 1 1 146 146 ALA CA C 13 55.073 . . 1 . . . . . . . . 4354 1 940 . 1 1 146 146 ALA CB C 13 17.335 . . 1 . . . . . . . . 4354 1 941 . 1 1 146 146 ALA C C 13 175.662 . . 1 . . . . . . . . 4354 1 942 . 1 1 147 147 LEU N N 15 116.815 . . 1 . . . . . . . . 4354 1 943 . 1 1 147 147 LEU H H 1 8.663 . . 1 . . . . . . . . 4354 1 944 . 1 1 147 147 LEU CA C 13 53.816 . . 1 . . . . . . . . 4354 1 945 . 1 1 147 147 LEU CB C 13 44.878 . . 1 . . . . . . . . 4354 1 946 . 1 1 147 147 LEU CG C 13 27.423 . . 1 . . . . . . . . 4354 1 947 . 1 1 147 147 LEU CD1 C 13 22.490 . . 1 . . . . . . . . 4354 1 948 . 1 1 147 147 LEU HD11 H 1 0.689 . . 1 . . . . . . . . 4354 1 949 . 1 1 147 147 LEU HD12 H 1 0.689 . . 1 . . . . . . . . 4354 1 950 . 1 1 147 147 LEU HD13 H 1 0.689 . . 1 . . . . . . . . 4354 1 951 . 1 1 147 147 LEU CD2 C 13 27.604 . . 1 . . . . . . . . 4354 1 952 . 1 1 147 147 LEU HD21 H 1 0.943 . . 1 . . . . . . . . 4354 1 953 . 1 1 147 147 LEU HD22 H 1 0.943 . . 1 . . . . . . . . 4354 1 954 . 1 1 147 147 LEU HD23 H 1 0.943 . . 1 . . . . . . . . 4354 1 955 . 1 1 147 147 LEU C C 13 174.822 . . 1 . . . . . . . . 4354 1 956 . 1 1 148 148 MET N N 15 121.573 . . 1 . . . . . . . . 4354 1 957 . 1 1 148 148 MET H H 1 8.177 . . 1 . . . . . . . . 4354 1 958 . 1 1 148 148 MET CA C 13 55.222 . . 1 . . . . . . . . 4354 1 959 . 1 1 148 148 MET CB C 13 37.204 . . 1 . . . . . . . . 4354 1 960 . 1 1 148 148 MET C C 13 174.047 . . 1 . . . . . . . . 4354 1 961 . 1 1 149 149 PHE N N 15 120.074 . . 1 . . . . . . . . 4354 1 962 . 1 1 149 149 PHE H H 1 8.566 . . 1 . . . . . . . . 4354 1 963 . 1 1 149 149 PHE CA C 13 55.154 . . 1 . . . . . . . . 4354 1 964 . 1 1 149 149 PHE CB C 13 40.830 . . 1 . . . . . . . . 4354 1 965 . 1 1 149 149 PHE C C 13 171.328 . . 1 . . . . . . . . 4354 1 966 . 1 1 150 150 ASN N N 15 115.856 . . 1 . . . . . . . . 4354 1 967 . 1 1 150 150 ASN H H 1 8.651 . . 1 . . . . . . . . 4354 1 968 . 1 1 150 150 ASN CA C 13 52.761 . . 1 . . . . . . . . 4354 1 969 . 1 1 150 150 ASN CB C 13 36.636 . . 1 . . . . . . . . 4354 1 970 . 1 1 150 150 ASN C C 13 172.351 . . 1 . . . . . . . . 4354 1 971 . 1 1 151 151 LEU N N 15 123.033 . . 1 . . . . . . . . 4354 1 972 . 1 1 151 151 LEU H H 1 7.303 . . 1 . . . . . . . . 4354 1 973 . 1 1 151 151 LEU CA C 13 53.863 . . 1 . . . . . . . . 4354 1 974 . 1 1 151 151 LEU CB C 13 41.260 . . 1 . . . . . . . . 4354 1 975 . 1 1 151 151 LEU CG C 13 25.776 . . 1 . . . . . . . . 4354 1 976 . 1 1 151 151 LEU CD1 C 13 26.242 . . 1 . . . . . . . . 4354 1 977 . 1 1 151 151 LEU HD11 H 1 0.751 . . 1 . . . . . . . . 4354 1 978 . 1 1 151 151 LEU HD12 H 1 0.751 . . 1 . . . . . . . . 4354 1 979 . 1 1 151 151 LEU HD13 H 1 0.751 . . 1 . . . . . . . . 4354 1 980 . 1 1 151 151 LEU CD2 C 13 23.619 . . 1 . . . . . . . . 4354 1 981 . 1 1 151 151 LEU HD21 H 1 0.148 . . 1 . . . . . . . . 4354 1 982 . 1 1 151 151 LEU HD22 H 1 0.148 . . 1 . . . . . . . . 4354 1 983 . 1 1 151 151 LEU HD23 H 1 0.148 . . 1 . . . . . . . . 4354 1 984 . 1 1 151 151 LEU C C 13 177.743 . . 1 . . . . . . . . 4354 1 985 . 1 1 152 152 GLN N N 15 113.019 . . 1 . . . . . . . . 4354 1 986 . 1 1 152 152 GLN H H 1 7.930 . . 1 . . . . . . . . 4354 1 987 . 1 1 152 152 GLN CA C 13 54.999 . . 1 . . . . . . . . 4354 1 988 . 1 1 152 152 GLN CB C 13 27.792 . . 1 . . . . . . . . 4354 1 989 . 1 1 152 152 GLN C C 13 175.840 . . 1 . . . . . . . . 4354 1 990 . 1 1 153 153 GLU N N 15 113.712 . . 1 . . . . . . . . 4354 1 991 . 1 1 153 153 GLU H H 1 6.448 . . 1 . . . . . . . . 4354 1 992 . 1 1 153 153 GLU CA C 13 50.806 . . 1 . . . . . . . . 4354 1 993 . 1 1 153 153 GLU CB C 13 32.456 . . 1 . . . . . . . . 4354 1 994 . 1 1 154 154 PRO CA C 13 63.042 . . 1 . . . . . . . . 4354 1 995 . 1 1 154 154 PRO CB C 13 31.457 . . 1 . . . . . . . . 4354 1 996 . 1 1 154 154 PRO C C 13 176.660 . . 1 . . . . . . . . 4354 1 997 . 1 1 155 155 TYR N N 15 117.704 . . 1 . . . . . . . . 4354 1 998 . 1 1 155 155 TYR H H 1 7.929 . . 1 . . . . . . . . 4354 1 999 . 1 1 155 155 TYR CA C 13 61.912 . . 1 . . . . . . . . 4354 1 1000 . 1 1 155 155 TYR CB C 13 39.543 . . 1 . . . . . . . . 4354 1 1001 . 1 1 155 155 TYR C C 13 175.603 . . 1 . . . . . . . . 4354 1 1002 . 1 1 156 156 PHE N N 15 112.053 . . 1 . . . . . . . . 4354 1 1003 . 1 1 156 156 PHE H H 1 8.048 . . 1 . . . . . . . . 4354 1 1004 . 1 1 156 156 PHE CA C 13 60.029 . . 1 . . . . . . . . 4354 1 1005 . 1 1 156 156 PHE CB C 13 40.947 . . 1 . . . . . . . . 4354 1 1006 . 1 1 156 156 PHE C C 13 175.848 . . 1 . . . . . . . . 4354 1 1007 . 1 1 157 157 THR N N 15 105.904 . . 1 . . . . . . . . 4354 1 1008 . 1 1 157 157 THR H H 1 7.577 . . 1 . . . . . . . . 4354 1 1009 . 1 1 157 157 THR CA C 13 62.351 . . 1 . . . . . . . . 4354 1 1010 . 1 1 157 157 THR CB C 13 68.672 . . 1 . . . . . . . . 4354 1 1011 . 1 1 157 157 THR C C 13 175.754 . . 1 . . . . . . . . 4354 1 1012 . 1 1 158 158 TRP N N 15 124.112 . . 1 . . . . . . . . 4354 1 1013 . 1 1 158 158 TRP H H 1 8.353 . . 1 . . . . . . . . 4354 1 1014 . 1 1 158 158 TRP CA C 13 60.123 . . 1 . . . . . . . . 4354 1 1015 . 1 1 158 158 TRP CB C 13 28.016 . . 1 . . . . . . . . 4354 1 1016 . 1 1 159 159 PRO CA C 13 65.262 . . 1 . . . . . . . . 4354 1 1017 . 1 1 159 159 PRO CB C 13 29.432 . . 1 . . . . . . . . 4354 1 1018 . 1 1 159 159 PRO C C 13 177.847 . . 1 . . . . . . . . 4354 1 1019 . 1 1 160 160 LEU N N 15 111.471 . . 1 . . . . . . . . 4354 1 1020 . 1 1 160 160 LEU H H 1 6.410 . . 1 . . . . . . . . 4354 1 1021 . 1 1 160 160 LEU CA C 13 55.369 . . 1 . . . . . . . . 4354 1 1022 . 1 1 160 160 LEU CB C 13 41.550 . . 1 . . . . . . . . 4354 1 1023 . 1 1 160 160 LEU CG C 13 25.601 . . 1 . . . . . . . . 4354 1 1024 . 1 1 160 160 LEU CD1 C 13 19.560 . . 1 . . . . . . . . 4354 1 1025 . 1 1 160 160 LEU HD11 H 1 -1.012 . . 1 . . . . . . . . 4354 1 1026 . 1 1 160 160 LEU HD12 H 1 -1.012 . . 1 . . . . . . . . 4354 1 1027 . 1 1 160 160 LEU HD13 H 1 -1.012 . . 1 . . . . . . . . 4354 1 1028 . 1 1 160 160 LEU CD2 C 13 25.122 . . 1 . . . . . . . . 4354 1 1029 . 1 1 160 160 LEU HD21 H 1 -0.286 . . 1 . . . . . . . . 4354 1 1030 . 1 1 160 160 LEU HD22 H 1 -0.286 . . 1 . . . . . . . . 4354 1 1031 . 1 1 160 160 LEU HD23 H 1 -0.286 . . 1 . . . . . . . . 4354 1 1032 . 1 1 160 160 LEU C C 13 176.519 . . 1 . . . . . . . . 4354 1 1033 . 1 1 161 161 ILE N N 15 119.393 . . 1 . . . . . . . . 4354 1 1034 . 1 1 161 161 ILE H H 1 6.953 . . 1 . . . . . . . . 4354 1 1035 . 1 1 161 161 ILE CA C 13 65.031 . . 1 . . . . . . . . 4354 1 1036 . 1 1 161 161 ILE CB C 13 36.779 . . 1 . . . . . . . . 4354 1 1037 . 1 1 161 161 ILE CG1 C 13 27.906 . . 1 . . . . . . . . 4354 1 1038 . 1 1 161 161 ILE CD1 C 13 13.139 . . 1 . . . . . . . . 4354 1 1039 . 1 1 161 161 ILE HD11 H 1 0.761 . . 1 . . . . . . . . 4354 1 1040 . 1 1 161 161 ILE HD12 H 1 0.761 . . 1 . . . . . . . . 4354 1 1041 . 1 1 161 161 ILE HD13 H 1 0.761 . . 1 . . . . . . . . 4354 1 1042 . 1 1 161 161 ILE CG2 C 13 16.035 . . 1 . . . . . . . . 4354 1 1043 . 1 1 161 161 ILE HG21 H 1 0.483 . . 1 . . . . . . . . 4354 1 1044 . 1 1 161 161 ILE HG22 H 1 0.483 . . 1 . . . . . . . . 4354 1 1045 . 1 1 161 161 ILE HG23 H 1 0.483 . . 1 . . . . . . . . 4354 1 1046 . 1 1 161 161 ILE C C 13 175.369 . . 1 . . . . . . . . 4354 1 1047 . 1 1 162 162 ALA N N 15 115.117 . . 1 . . . . . . . . 4354 1 1048 . 1 1 162 162 ALA H H 1 7.977 . . 1 . . . . . . . . 4354 1 1049 . 1 1 162 162 ALA CA C 13 51.655 . . 1 . . . . . . . . 4354 1 1050 . 1 1 162 162 ALA CB C 13 17.763 . . 1 . . . . . . . . 4354 1 1051 . 1 1 162 162 ALA C C 13 179.353 . . 1 . . . . . . . . 4354 1 1052 . 1 1 163 163 ALA N N 15 120.709 . . 1 . . . . . . . . 4354 1 1053 . 1 1 163 163 ALA H H 1 6.644 . . 1 . . . . . . . . 4354 1 1054 . 1 1 163 163 ALA CA C 13 55.725 . . 1 . . . . . . . . 4354 1 1055 . 1 1 163 163 ALA CB C 13 19.062 . . 1 . . . . . . . . 4354 1 1056 . 1 1 163 163 ALA C C 13 178.006 . . 1 . . . . . . . . 4354 1 1057 . 1 1 164 164 ASP N N 15 114.910 . . 1 . . . . . . . . 4354 1 1058 . 1 1 164 164 ASP H H 1 9.555 . . 1 . . . . . . . . 4354 1 1059 . 1 1 164 164 ASP CA C 13 52.782 . . 1 . . . . . . . . 4354 1 1060 . 1 1 164 164 ASP CB C 13 41.761 . . 1 . . . . . . . . 4354 1 1061 . 1 1 164 164 ASP C C 13 176.376 . . 1 . . . . . . . . 4354 1 1062 . 1 1 165 165 GLY N N 15 103.615 . . 1 . . . . . . . . 4354 1 1063 . 1 1 165 165 GLY H H 1 7.471 . . 1 . . . . . . . . 4354 1 1064 . 1 1 165 165 GLY CA C 13 45.144 . . 1 . . . . . . . . 4354 1 1065 . 1 1 165 165 GLY C C 13 175.438 . . 1 . . . . . . . . 4354 1 1066 . 1 1 166 166 GLY N N 15 108.038 . . 1 . . . . . . . . 4354 1 1067 . 1 1 166 166 GLY H H 1 7.388 . . 1 . . . . . . . . 4354 1 1068 . 1 1 166 166 GLY CA C 13 44.790 . . 1 . . . . . . . . 4354 1 1069 . 1 1 166 166 GLY C C 13 171.916 . . 1 . . . . . . . . 4354 1 1070 . 1 1 167 167 TYR N N 15 115.473 . . 1 . . . . . . . . 4354 1 1071 . 1 1 167 167 TYR H H 1 8.255 . . 1 . . . . . . . . 4354 1 1072 . 1 1 167 167 TYR CA C 13 56.995 . . 1 . . . . . . . . 4354 1 1073 . 1 1 167 167 TYR CB C 13 38.504 . . 1 . . . . . . . . 4354 1 1074 . 1 1 167 167 TYR C C 13 173.146 . . 1 . . . . . . . . 4354 1 1075 . 1 1 168 168 ALA N N 15 124.250 . . 1 . . . . . . . . 4354 1 1076 . 1 1 168 168 ALA H H 1 10.481 . . 1 . . . . . . . . 4354 1 1077 . 1 1 168 168 ALA CA C 13 52.580 . . 1 . . . . . . . . 4354 1 1078 . 1 1 168 168 ALA CB C 13 15.894 . . 1 . . . . . . . . 4354 1 1079 . 1 1 168 168 ALA C C 13 172.878 . . 1 . . . . . . . . 4354 1 1080 . 1 1 169 169 PHE N N 15 107.990 . . 1 . . . . . . . . 4354 1 1081 . 1 1 169 169 PHE H H 1 6.304 . . 1 . . . . . . . . 4354 1 1082 . 1 1 169 169 PHE CA C 13 55.034 . . 1 . . . . . . . . 4354 1 1083 . 1 1 169 169 PHE CB C 13 42.023 . . 1 . . . . . . . . 4354 1 1084 . 1 1 169 169 PHE C C 13 176.457 . . 1 . . . . . . . . 4354 1 1085 . 1 1 170 170 LYS N N 15 125.548 . . 1 . . . . . . . . 4354 1 1086 . 1 1 170 170 LYS H H 1 8.856 . . 1 . . . . . . . . 4354 1 1087 . 1 1 170 170 LYS CA C 13 56.452 . . 1 . . . . . . . . 4354 1 1088 . 1 1 170 170 LYS CB C 13 31.814 . . 1 . . . . . . . . 4354 1 1089 . 1 1 170 170 LYS C C 13 174.459 . . 1 . . . . . . . . 4354 1 1090 . 1 1 171 171 TYR N N 15 129.745 . . 1 . . . . . . . . 4354 1 1091 . 1 1 171 171 TYR H H 1 8.582 . . 1 . . . . . . . . 4354 1 1092 . 1 1 171 171 TYR CA C 13 55.707 . . 1 . . . . . . . . 4354 1 1093 . 1 1 171 171 TYR CB C 13 39.206 . . 1 . . . . . . . . 4354 1 1094 . 1 1 171 171 TYR C C 13 174.640 . . 1 . . . . . . . . 4354 1 1095 . 1 1 172 172 GLU N N 15 126.717 . . 1 . . . . . . . . 4354 1 1096 . 1 1 172 172 GLU H H 1 8.223 . . 1 . . . . . . . . 4354 1 1097 . 1 1 172 172 GLU CA C 13 55.126 . . 1 . . . . . . . . 4354 1 1098 . 1 1 172 172 GLU CB C 13 31.885 . . 1 . . . . . . . . 4354 1 1099 . 1 1 173 173 ASN CA C 13 53.533 . . 1 . . . . . . . . 4354 1 1100 . 1 1 173 173 ASN CB C 13 36.679 . . 1 . . . . . . . . 4354 1 1101 . 1 1 173 173 ASN C C 13 175.178 . . 1 . . . . . . . . 4354 1 1102 . 1 1 174 174 GLY N N 15 101.99 . . 1 . . . . . . . . 4354 1 1103 . 1 1 174 174 GLY H H 1 7.452 . . 1 . . . . . . . . 4354 1 1104 . 1 1 174 174 GLY CA C 13 45.074 . . 1 . . . . . . . . 4354 1 1105 . 1 1 174 174 GLY C C 13 172.980 . . 1 . . . . . . . . 4354 1 1106 . 1 1 175 175 LYS N N 15 118.520 . . 1 . . . . . . . . 4354 1 1107 . 1 1 175 175 LYS H H 1 7.072 . . 1 . . . . . . . . 4354 1 1108 . 1 1 175 175 LYS CA C 13 53.955 . . 1 . . . . . . . . 4354 1 1109 . 1 1 175 175 LYS CB C 13 34.710 . . 1 . . . . . . . . 4354 1 1110 . 1 1 175 175 LYS C C 13 174.471 . . 1 . . . . . . . . 4354 1 1111 . 1 1 176 176 TYR N N 15 119.870 . . 1 . . . . . . . . 4354 1 1112 . 1 1 176 176 TYR H H 1 8.709 . . 1 . . . . . . . . 4354 1 1113 . 1 1 176 176 TYR CA C 13 58.284 . . 1 . . . . . . . . 4354 1 1114 . 1 1 176 176 TYR CB C 13 39.218 . . 1 . . . . . . . . 4354 1 1115 . 1 1 176 176 TYR C C 13 176.014 . . 1 . . . . . . . . 4354 1 1116 . 1 1 177 177 ASP N N 15 123.833 . . 1 . . . . . . . . 4354 1 1117 . 1 1 177 177 ASP H H 1 9.002 . . 1 . . . . . . . . 4354 1 1118 . 1 1 177 177 ASP CA C 13 52.268 . . 1 . . . . . . . . 4354 1 1119 . 1 1 177 177 ASP CB C 13 40.680 . . 1 . . . . . . . . 4354 1 1120 . 1 1 177 177 ASP C C 13 177.224 . . 1 . . . . . . . . 4354 1 1121 . 1 1 178 178 ILE N N 15 116.929 . . 1 . . . . . . . . 4354 1 1122 . 1 1 178 178 ILE H H 1 7.707 . . 1 . . . . . . . . 4354 1 1123 . 1 1 178 178 ILE CA C 13 62.970 . . 1 . . . . . . . . 4354 1 1124 . 1 1 178 178 ILE CB C 13 36.218 . . 1 . . . . . . . . 4354 1 1125 . 1 1 178 178 ILE CG1 C 13 24.927 . . 1 . . . . . . . . 4354 1 1126 . 1 1 178 178 ILE CD1 C 13 13.918 . . 1 . . . . . . . . 4354 1 1127 . 1 1 178 178 ILE HD11 H 1 0.857 . . 1 . . . . . . . . 4354 1 1128 . 1 1 178 178 ILE HD12 H 1 0.857 . . 1 . . . . . . . . 4354 1 1129 . 1 1 178 178 ILE HD13 H 1 0.857 . . 1 . . . . . . . . 4354 1 1130 . 1 1 178 178 ILE CG2 C 13 17.533 . . 1 . . . . . . . . 4354 1 1131 . 1 1 178 178 ILE HG21 H 1 0.623 . . 1 . . . . . . . . 4354 1 1132 . 1 1 178 178 ILE HG22 H 1 0.623 . . 1 . . . . . . . . 4354 1 1133 . 1 1 178 178 ILE HG23 H 1 0.623 . . 1 . . . . . . . . 4354 1 1134 . 1 1 178 178 ILE C C 13 175.577 . . 1 . . . . . . . . 4354 1 1135 . 1 1 179 179 LYS N N 15 116.056 . . 1 . . . . . . . . 4354 1 1136 . 1 1 179 179 LYS H H 1 8.284 . . 1 . . . . . . . . 4354 1 1137 . 1 1 179 179 LYS CA C 13 54.115 . . 1 . . . . . . . . 4354 1 1138 . 1 1 179 179 LYS CB C 13 31.346 . . 1 . . . . . . . . 4354 1 1139 . 1 1 179 179 LYS C C 13 176.249 . . 1 . . . . . . . . 4354 1 1140 . 1 1 180 180 ASP N N 15 123.217 . . 1 . . . . . . . . 4354 1 1141 . 1 1 180 180 ASP H H 1 7.752 . . 1 . . . . . . . . 4354 1 1142 . 1 1 180 180 ASP CA C 13 52.734 . . 1 . . . . . . . . 4354 1 1143 . 1 1 180 180 ASP CB C 13 40.333 . . 1 . . . . . . . . 4354 1 1144 . 1 1 180 180 ASP C C 13 172.793 . . 1 . . . . . . . . 4354 1 1145 . 1 1 181 181 VAL N N 15 122.789 . . 1 . . . . . . . . 4354 1 1146 . 1 1 181 181 VAL H H 1 7.463 . . 1 . . . . . . . . 4354 1 1147 . 1 1 181 181 VAL CA C 13 58.711 . . 1 . . . . . . . . 4354 1 1148 . 1 1 181 181 VAL CB C 13 34.493 . . 1 . . . . . . . . 4354 1 1149 . 1 1 181 181 VAL CG2 C 13 22.585 . . 1 . . . . . . . . 4354 1 1150 . 1 1 181 181 VAL HG21 H 1 0.705 . . 1 . . . . . . . . 4354 1 1151 . 1 1 181 181 VAL HG22 H 1 0.705 . . 1 . . . . . . . . 4354 1 1152 . 1 1 181 181 VAL HG23 H 1 0.705 . . 1 . . . . . . . . 4354 1 1153 . 1 1 181 181 VAL CG1 C 13 21.588 . . 1 . . . . . . . . 4354 1 1154 . 1 1 181 181 VAL HG11 H 1 0.823 . . 1 . . . . . . . . 4354 1 1155 . 1 1 181 181 VAL HG12 H 1 0.823 . . 1 . . . . . . . . 4354 1 1156 . 1 1 181 181 VAL HG13 H 1 0.823 . . 1 . . . . . . . . 4354 1 1157 . 1 1 181 181 VAL C C 13 176.640 . . 1 . . . . . . . . 4354 1 1158 . 1 1 182 182 GLY N N 15 120.680 . . 1 . . . . . . . . 4354 1 1159 . 1 1 182 182 GLY H H 1 7.059 . . 1 . . . . . . . . 4354 1 1160 . 1 1 182 182 GLY CA C 13 45.818 . . 1 . . . . . . . . 4354 1 1161 . 1 1 182 182 GLY C C 13 173.951 . . 1 . . . . . . . . 4354 1 1162 . 1 1 183 183 VAL N N 15 113.962 . . 1 . . . . . . . . 4354 1 1163 . 1 1 183 183 VAL H H 1 6.697 . . 1 . . . . . . . . 4354 1 1164 . 1 1 183 183 VAL CA C 13 62.761 . . 1 . . . . . . . . 4354 1 1165 . 1 1 183 183 VAL CB C 13 32.320 . . 1 . . . . . . . . 4354 1 1166 . 1 1 183 183 VAL CG2 C 13 22.406 . . 1 . . . . . . . . 4354 1 1167 . 1 1 183 183 VAL HG21 H 1 0.841 . . 1 . . . . . . . . 4354 1 1168 . 1 1 183 183 VAL HG22 H 1 0.841 . . 1 . . . . . . . . 4354 1 1169 . 1 1 183 183 VAL HG23 H 1 0.841 . . 1 . . . . . . . . 4354 1 1170 . 1 1 183 183 VAL CG1 C 13 22.415 . . 1 . . . . . . . . 4354 1 1171 . 1 1 183 183 VAL HG11 H 1 0.882 . . 1 . . . . . . . . 4354 1 1172 . 1 1 183 183 VAL HG12 H 1 0.882 . . 1 . . . . . . . . 4354 1 1173 . 1 1 183 183 VAL HG13 H 1 0.882 . . 1 . . . . . . . . 4354 1 1174 . 1 1 183 183 VAL C C 13 173.018 . . 1 . . . . . . . . 4354 1 1175 . 1 1 184 184 ASP N N 15 114.790 . . 1 . . . . . . . . 4354 1 1176 . 1 1 184 184 ASP H H 1 7.831 . . 1 . . . . . . . . 4354 1 1177 . 1 1 184 184 ASP CA C 13 51.011 . . 1 . . . . . . . . 4354 1 1178 . 1 1 184 184 ASP CB C 13 39.199 . . 1 . . . . . . . . 4354 1 1179 . 1 1 184 184 ASP C C 13 175.987 . . 1 . . . . . . . . 4354 1 1180 . 1 1 185 185 ASN N N 15 116.227 . . 1 . . . . . . . . 4354 1 1181 . 1 1 185 185 ASN H H 1 6.887 . . 1 . . . . . . . . 4354 1 1182 . 1 1 185 185 ASN CA C 13 51.028 . . 1 . . . . . . . . 4354 1 1183 . 1 1 185 185 ASN CB C 13 38.770 . . 1 . . . . . . . . 4354 1 1184 . 1 1 186 186 ALA CA C 13 54.879 . . 1 . . . . . . . . 4354 1 1185 . 1 1 186 186 ALA CB C 13 17.595 . . 1 . . . . . . . . 4354 1 1186 . 1 1 186 186 ALA C C 13 180.229 . . 1 . . . . . . . . 4354 1 1187 . 1 1 187 187 GLY N N 15 109.345 . . 1 . . . . . . . . 4354 1 1188 . 1 1 187 187 GLY H H 1 8.360 . . 1 . . . . . . . . 4354 1 1189 . 1 1 187 187 GLY CA C 13 46.708 . . 1 . . . . . . . . 4354 1 1190 . 1 1 187 187 GLY C C 13 175.758 . . 1 . . . . . . . . 4354 1 1191 . 1 1 188 188 ALA N N 15 127.624 . . 1 . . . . . . . . 4354 1 1192 . 1 1 188 188 ALA H H 1 8.053 . . 1 . . . . . . . . 4354 1 1193 . 1 1 188 188 ALA CA C 13 53.314 . . 1 . . . . . . . . 4354 1 1194 . 1 1 188 188 ALA CB C 13 17.701 . . 1 . . . . . . . . 4354 1 1195 . 1 1 188 188 ALA C C 13 180.549 . . 1 . . . . . . . . 4354 1 1196 . 1 1 189 189 LYS N N 15 115.165 . . 1 . . . . . . . . 4354 1 1197 . 1 1 189 189 LYS H H 1 7.975 . . 1 . . . . . . . . 4354 1 1198 . 1 1 189 189 LYS CA C 13 59.048 . . 1 . . . . . . . . 4354 1 1199 . 1 1 189 189 LYS CB C 13 31.235 . . 1 . . . . . . . . 4354 1 1200 . 1 1 189 189 LYS C C 13 180.067 . . 1 . . . . . . . . 4354 1 1201 . 1 1 190 190 ALA N N 15 124.632 . . 1 . . . . . . . . 4354 1 1202 . 1 1 190 190 ALA H H 1 8.206 . . 1 . . . . . . . . 4354 1 1203 . 1 1 190 190 ALA CA C 13 55.113 . . 1 . . . . . . . . 4354 1 1204 . 1 1 190 190 ALA CB C 13 17.233 . . 1 . . . . . . . . 4354 1 1205 . 1 1 190 190 ALA C C 13 181.048 . . 1 . . . . . . . . 4354 1 1206 . 1 1 191 191 GLY N N 15 107.507 . . 1 . . . . . . . . 4354 1 1207 . 1 1 191 191 GLY H H 1 8.210 . . 1 . . . . . . . . 4354 1 1208 . 1 1 191 191 GLY CA C 13 47.264 . . 1 . . . . . . . . 4354 1 1209 . 1 1 191 191 GLY C C 13 174.759 . . 1 . . . . . . . . 4354 1 1210 . 1 1 192 192 LEU N N 15 121.157 . . 1 . . . . . . . . 4354 1 1211 . 1 1 192 192 LEU H H 1 8.652 . . 1 . . . . . . . . 4354 1 1212 . 1 1 192 192 LEU CA C 13 56.627 . . 1 . . . . . . . . 4354 1 1213 . 1 1 192 192 LEU CB C 13 39.531 . . 1 . . . . . . . . 4354 1 1214 . 1 1 192 192 LEU CG C 13 26.302 . . 1 . . . . . . . . 4354 1 1215 . 1 1 192 192 LEU CD1 C 13 24.249 . . 1 . . . . . . . . 4354 1 1216 . 1 1 192 192 LEU HD11 H 1 1.085 . . 1 . . . . . . . . 4354 1 1217 . 1 1 192 192 LEU HD12 H 1 1.085 . . 1 . . . . . . . . 4354 1 1218 . 1 1 192 192 LEU HD13 H 1 1.085 . . 1 . . . . . . . . 4354 1 1219 . 1 1 192 192 LEU CD2 C 13 25.291 . . 1 . . . . . . . . 4354 1 1220 . 1 1 192 192 LEU HD21 H 1 0.852 . . 1 . . . . . . . . 4354 1 1221 . 1 1 192 192 LEU HD22 H 1 0.852 . . 1 . . . . . . . . 4354 1 1222 . 1 1 192 192 LEU HD23 H 1 0.852 . . 1 . . . . . . . . 4354 1 1223 . 1 1 192 192 LEU C C 13 178.141 . . 1 . . . . . . . . 4354 1 1224 . 1 1 193 193 THR N N 15 116.385 . . 1 . . . . . . . . 4354 1 1225 . 1 1 193 193 THR H H 1 8.527 . . 1 . . . . . . . . 4354 1 1226 . 1 1 193 193 THR CA C 13 67.442 . . 1 . . . . . . . . 4354 1 1227 . 1 1 193 193 THR CB C 13 68.008 . . 1 . . . . . . . . 4354 1 1228 . 1 1 193 193 THR C C 13 174.971 . . 1 . . . . . . . . 4354 1 1229 . 1 1 194 194 PHE N N 15 122.015 . . 1 . . . . . . . . 4354 1 1230 . 1 1 194 194 PHE H H 1 7.645 . . 1 . . . . . . . . 4354 1 1231 . 1 1 194 194 PHE CA C 13 61.725 . . 1 . . . . . . . . 4354 1 1232 . 1 1 194 194 PHE CB C 13 38.544 . . 1 . . . . . . . . 4354 1 1233 . 1 1 194 194 PHE C C 13 177.200 . . 1 . . . . . . . . 4354 1 1234 . 1 1 195 195 LEU N N 15 119.501 . . 1 . . . . . . . . 4354 1 1235 . 1 1 195 195 LEU H H 1 7.714 . . 1 . . . . . . . . 4354 1 1236 . 1 1 195 195 LEU CA C 13 58.054 . . 1 . . . . . . . . 4354 1 1237 . 1 1 195 195 LEU CB C 13 40.646 . . 1 . . . . . . . . 4354 1 1238 . 1 1 195 195 LEU CG C 13 26.490 . . 1 . . . . . . . . 4354 1 1239 . 1 1 195 195 LEU CD1 C 13 23.701 . . 1 . . . . . . . . 4354 1 1240 . 1 1 195 195 LEU HD11 H 1 0.900 . . 1 . . . . . . . . 4354 1 1241 . 1 1 195 195 LEU HD12 H 1 0.900 . . 1 . . . . . . . . 4354 1 1242 . 1 1 195 195 LEU HD13 H 1 0.900 . . 1 . . . . . . . . 4354 1 1243 . 1 1 195 195 LEU CD2 C 13 25.220 . . 1 . . . . . . . . 4354 1 1244 . 1 1 195 195 LEU HD21 H 1 0.852 . . 1 . . . . . . . . 4354 1 1245 . 1 1 195 195 LEU HD22 H 1 0.852 . . 1 . . . . . . . . 4354 1 1246 . 1 1 195 195 LEU HD23 H 1 0.852 . . 1 . . . . . . . . 4354 1 1247 . 1 1 195 195 LEU C C 13 177.877 . . 1 . . . . . . . . 4354 1 1248 . 1 1 196 196 VAL N N 15 117.482 . . 1 . . . . . . . . 4354 1 1249 . 1 1 196 196 VAL H H 1 8.583 . . 1 . . . . . . . . 4354 1 1250 . 1 1 196 196 VAL CA C 13 66.659 . . 1 . . . . . . . . 4354 1 1251 . 1 1 196 196 VAL CB C 13 30.538 . . 1 . . . . . . . . 4354 1 1252 . 1 1 196 196 VAL CG2 C 13 23.397 . . 1 . . . . . . . . 4354 1 1253 . 1 1 196 196 VAL HG21 H 1 0.864 . . 1 . . . . . . . . 4354 1 1254 . 1 1 196 196 VAL HG22 H 1 0.864 . . 1 . . . . . . . . 4354 1 1255 . 1 1 196 196 VAL HG23 H 1 0.864 . . 1 . . . . . . . . 4354 1 1256 . 1 1 196 196 VAL CG1 C 13 21.649 . . 1 . . . . . . . . 4354 1 1257 . 1 1 196 196 VAL C C 13 178.196 . . 1 . . . . . . . . 4354 1 1258 . 1 1 196 196 VAL HG11 H 1 0.969 . . 1 . . . . . . . . 4354 1 1259 . 1 1 196 196 VAL HG12 H 1 0.969 . . 1 . . . . . . . . 4354 1 1260 . 1 1 196 196 VAL HG13 H 1 0.969 . . 1 . . . . . . . . 4354 1 1261 . 1 1 197 197 ASP N N 15 122.885 . . 1 . . . . . . . . 4354 1 1262 . 1 1 197 197 ASP H H 1 8.573 . . 1 . . . . . . . . 4354 1 1263 . 1 1 197 197 ASP CA C 13 57.404 . . 1 . . . . . . . . 4354 1 1264 . 1 1 197 197 ASP CB C 13 39.275 . . 1 . . . . . . . . 4354 1 1265 . 1 1 197 197 ASP C C 13 179.107 . . 1 . . . . . . . . 4354 1 1266 . 1 1 198 198 LEU N N 15 120.155 . . 1 . . . . . . . . 4354 1 1267 . 1 1 198 198 LEU H H 1 7.876 . . 1 . . . . . . . . 4354 1 1268 . 1 1 198 198 LEU CA C 13 57.901 . . 1 . . . . . . . . 4354 1 1269 . 1 1 198 198 LEU CB C 13 41.444 . . 1 . . . . . . . . 4354 1 1270 . 1 1 198 198 LEU CG C 13 25.393 . . 1 . . . . . . . . 4354 1 1271 . 1 1 198 198 LEU CD1 C 13 25.598 . . 1 . . . . . . . . 4354 1 1272 . 1 1 198 198 LEU HD11 H 1 1.018 . . 1 . . . . . . . . 4354 1 1273 . 1 1 198 198 LEU HD12 H 1 1.018 . . 1 . . . . . . . . 4354 1 1274 . 1 1 198 198 LEU HD13 H 1 1.018 . . 1 . . . . . . . . 4354 1 1275 . 1 1 198 198 LEU CD2 C 13 23.397 . . 1 . . . . . . . . 4354 1 1276 . 1 1 198 198 LEU HD21 H 1 0.808 . . 1 . . . . . . . . 4354 1 1277 . 1 1 198 198 LEU HD22 H 1 0.808 . . 1 . . . . . . . . 4354 1 1278 . 1 1 198 198 LEU HD23 H 1 0.808 . . 1 . . . . . . . . 4354 1 1279 . 1 1 198 198 LEU C C 13 178.861 . . 1 . . . . . . . . 4354 1 1280 . 1 1 199 199 ILE N N 15 119.950 . . 1 . . . . . . . . 4354 1 1281 . 1 1 199 199 ILE H H 1 7.435 . . 1 . . . . . . . . 4354 1 1282 . 1 1 199 199 ILE CA C 13 62.685 . . 1 . . . . . . . . 4354 1 1283 . 1 1 199 199 ILE CB C 13 37.657 . . 1 . . . . . . . . 4354 1 1284 . 1 1 199 199 ILE CG1 C 13 27.965 . . 1 . . . . . . . . 4354 1 1285 . 1 1 199 199 ILE CD1 C 13 14.231 . . 1 . . . . . . . . 4354 1 1286 . 1 1 199 199 ILE HD11 H 1 0.749 . . 1 . . . . . . . . 4354 1 1287 . 1 1 199 199 ILE HD12 H 1 0.749 . . 1 . . . . . . . . 4354 1 1288 . 1 1 199 199 ILE HD13 H 1 0.749 . . 1 . . . . . . . . 4354 1 1289 . 1 1 199 199 ILE CG2 C 13 17.037 . . 1 . . . . . . . . 4354 1 1290 . 1 1 199 199 ILE HG21 H 1 0.990 . . 1 . . . . . . . . 4354 1 1291 . 1 1 199 199 ILE HG22 H 1 0.990 . . 1 . . . . . . . . 4354 1 1292 . 1 1 199 199 ILE HG23 H 1 0.990 . . 1 . . . . . . . . 4354 1 1293 . 1 1 199 199 ILE C C 13 180.835 . . 1 . . . . . . . . 4354 1 1294 . 1 1 200 200 LYS N N 15 124.444 . . 1 . . . . . . . . 4354 1 1295 . 1 1 200 200 LYS H H 1 9.382 . . 1 . . . . . . . . 4354 1 1296 . 1 1 200 200 LYS CA C 13 59.282 . . 1 . . . . . . . . 4354 1 1297 . 1 1 200 200 LYS CB C 13 31.491 . . 1 . . . . . . . . 4354 1 1298 . 1 1 200 200 LYS C C 13 178.553 . . 1 . . . . . . . . 4354 1 1299 . 1 1 201 201 ASN N N 15 113.883 . . 1 . . . . . . . . 4354 1 1300 . 1 1 201 201 ASN H H 1 7.988 . . 1 . . . . . . . . 4354 1 1301 . 1 1 201 201 ASN CA C 13 52.987 . . 1 . . . . . . . . 4354 1 1302 . 1 1 201 201 ASN CB C 13 38.058 . . 1 . . . . . . . . 4354 1 1303 . 1 1 201 201 ASN C C 13 172.984 . . 1 . . . . . . . . 4354 1 1304 . 1 1 202 202 LYS N N 15 111.412 . . 1 . . . . . . . . 4354 1 1305 . 1 1 202 202 LYS H H 1 7.923 . . 1 . . . . . . . . 4354 1 1306 . 1 1 202 202 LYS CA C 13 56.915 . . 1 . . . . . . . . 4354 1 1307 . 1 1 202 202 LYS CB C 13 26.699 . . 1 . . . . . . . . 4354 1 1308 . 1 1 202 202 LYS C C 13 175.542 . . 1 . . . . . . . . 4354 1 1309 . 1 1 203 203 HIS N N 15 116.197 . . 1 . . . . . . . . 4354 1 1310 . 1 1 203 203 HIS H H 1 8.346 . . 1 . . . . . . . . 4354 1 1311 . 1 1 203 203 HIS CA C 13 56.618 . . 1 . . . . . . . . 4354 1 1312 . 1 1 203 203 HIS CB C 13 27.905 . . 1 . . . . . . . . 4354 1 1313 . 1 1 203 203 HIS C C 13 175.360 . . 1 . . . . . . . . 4354 1 1314 . 1 1 204 204 MET N N 15 114.057 . . 1 . . . . . . . . 4354 1 1315 . 1 1 204 204 MET H H 1 7.463 . . 1 . . . . . . . . 4354 1 1316 . 1 1 204 204 MET CA C 13 54.026 . . 1 . . . . . . . . 4354 1 1317 . 1 1 204 204 MET CB C 13 36.766 . . 1 . . . . . . . . 4354 1 1318 . 1 1 204 204 MET C C 13 172.956 . . 1 . . . . . . . . 4354 1 1319 . 1 1 205 205 ASN N N 15 118.546 . . 1 . . . . . . . . 4354 1 1320 . 1 1 205 205 ASN H H 1 8.692 . . 1 . . . . . . . . 4354 1 1321 . 1 1 205 205 ASN CA C 13 51.541 . . 1 . . . . . . . . 4354 1 1322 . 1 1 205 205 ASN CB C 13 39.627 . . 1 . . . . . . . . 4354 1 1323 . 1 1 205 205 ASN C C 13 175.913 . . 1 . . . . . . . . 4354 1 1324 . 1 1 206 206 ALA N N 15 124.944 . . 1 . . . . . . . . 4354 1 1325 . 1 1 206 206 ALA H H 1 9.059 . . 1 . . . . . . . . 4354 1 1326 . 1 1 206 206 ALA CA C 13 54.047 . . 1 . . . . . . . . 4354 1 1327 . 1 1 206 206 ALA CB C 13 17.643 . . 1 . . . . . . . . 4354 1 1328 . 1 1 206 206 ALA C C 13 176.127 . . 1 . . . . . . . . 4354 1 1329 . 1 1 207 207 ASP N N 15 112.763 . . 1 . . . . . . . . 4354 1 1330 . 1 1 207 207 ASP H H 1 8.160 . . 1 . . . . . . . . 4354 1 1331 . 1 1 207 207 ASP CA C 13 53.113 . . 1 . . . . . . . . 4354 1 1332 . 1 1 207 207 ASP CB C 13 39.282 . . 1 . . . . . . . . 4354 1 1333 . 1 1 207 207 ASP C C 13 176.257 . . 1 . . . . . . . . 4354 1 1334 . 1 1 208 208 THR N N 15 116.465 . . 1 . . . . . . . . 4354 1 1335 . 1 1 208 208 THR H H 1 7.320 . . 1 . . . . . . . . 4354 1 1336 . 1 1 208 208 THR CA C 13 66.101 . . 1 . . . . . . . . 4354 1 1337 . 1 1 208 208 THR CB C 13 68.438 . . 1 . . . . . . . . 4354 1 1338 . 1 1 208 208 THR C C 13 173.033 . . 1 . . . . . . . . 4354 1 1339 . 1 1 209 209 ASP N N 15 130.733 . . 1 . . . . . . . . 4354 1 1340 . 1 1 209 209 ASP H H 1 6.978 . . 1 . . . . . . . . 4354 1 1341 . 1 1 209 209 ASP CA C 13 51.244 . . 1 . . . . . . . . 4354 1 1342 . 1 1 209 209 ASP CB C 13 41.486 . . 1 . . . . . . . . 4354 1 1343 . 1 1 209 209 ASP C C 13 175.589 . . 1 . . . . . . . . 4354 1 1344 . 1 1 210 210 TYR N N 15 117.355 . . 1 . . . . . . . . 4354 1 1345 . 1 1 210 210 TYR H H 1 7.843 . . 1 . . . . . . . . 4354 1 1346 . 1 1 210 210 TYR CA C 13 62.747 . . 1 . . . . . . . . 4354 1 1347 . 1 1 210 210 TYR CB C 13 38.456 . . 1 . . . . . . . . 4354 1 1348 . 1 1 210 210 TYR C C 13 178.154 . . 1 . . . . . . . . 4354 1 1349 . 1 1 211 211 SER N N 15 114.625 . . 1 . . . . . . . . 4354 1 1350 . 1 1 211 211 SER H H 1 8.191 . . 1 . . . . . . . . 4354 1 1351 . 1 1 211 211 SER CA C 13 61.243 . . 1 . . . . . . . . 4354 1 1352 . 1 1 211 211 SER CB C 13 62.203 . . 1 . . . . . . . . 4354 1 1353 . 1 1 211 211 SER C C 13 177.301 . . 1 . . . . . . . . 4354 1 1354 . 1 1 212 212 ILE N N 15 124.420 . . 1 . . . . . . . . 4354 1 1355 . 1 1 212 212 ILE H H 1 8.967 . . 1 . . . . . . . . 4354 1 1356 . 1 1 212 212 ILE CA C 13 64.324 . . 1 . . . . . . . . 4354 1 1357 . 1 1 212 212 ILE CB C 13 37.982 . . 1 . . . . . . . . 4354 1 1358 . 1 1 212 212 ILE CG1 C 13 28.097 . . 1 . . . . . . . . 4354 1 1359 . 1 1 212 212 ILE CD1 C 13 13.100 . . 1 . . . . . . . . 4354 1 1360 . 1 1 212 212 ILE HD11 H 1 0.872 . . 1 . . . . . . . . 4354 1 1361 . 1 1 212 212 ILE HD12 H 1 0.872 . . 1 . . . . . . . . 4354 1 1362 . 1 1 212 212 ILE HD13 H 1 0.872 . . 1 . . . . . . . . 4354 1 1363 . 1 1 212 212 ILE CG2 C 13 16.848 . . 1 . . . . . . . . 4354 1 1364 . 1 1 212 212 ILE HG21 H 1 0.946 . . 1 . . . . . . . . 4354 1 1365 . 1 1 212 212 ILE HG22 H 1 0.946 . . 1 . . . . . . . . 4354 1 1366 . 1 1 212 212 ILE HG23 H 1 0.946 . . 1 . . . . . . . . 4354 1 1367 . 1 1 212 212 ILE C C 13 178.686 . . 1 . . . . . . . . 4354 1 1368 . 1 1 213 213 ALA N N 15 120.631 . . 1 . . . . . . . . 4354 1 1369 . 1 1 213 213 ALA H H 1 7.607 . . 1 . . . . . . . . 4354 1 1370 . 1 1 213 213 ALA CA C 13 54.792 . . 1 . . . . . . . . 4354 1 1371 . 1 1 213 213 ALA CB C 13 16.432 . . 1 . . . . . . . . 4354 1 1372 . 1 1 213 213 ALA C C 13 177.626 . . 1 . . . . . . . . 4354 1 1373 . 1 1 214 214 GLU N N 15 117.327 . . 1 . . . . . . . . 4354 1 1374 . 1 1 214 214 GLU H H 1 7.860 . . 1 . . . . . . . . 4354 1 1375 . 1 1 214 214 GLU CA C 13 58.351 . . 1 . . . . . . . . 4354 1 1376 . 1 1 214 214 GLU CB C 13 29.259 . . 1 . . . . . . . . 4354 1 1377 . 1 1 215 215 ALA N N 15 119.669 . . 1 . . . . . . . . 4354 1 1378 . 1 1 215 215 ALA H H 1 7.782 . . 1 . . . . . . . . 4354 1 1379 . 1 1 215 215 ALA CA C 13 54.125 . . 1 . . . . . . . . 4354 1 1380 . 1 1 215 215 ALA CB C 13 17.201 . . 1 . . . . . . . . 4354 1 1381 . 1 1 216 216 ALA N N 15 117.587 . . 1 . . . . . . . . 4354 1 1382 . 1 1 216 216 ALA H H 1 7.806 . . 1 . . . . . . . . 4354 1 1383 . 1 1 216 216 ALA CA C 13 54.388 . . 1 . . . . . . . . 4354 1 1384 . 1 1 216 216 ALA CB C 13 19.131 . . 1 . . . . . . . . 4354 1 1385 . 1 1 216 216 ALA C C 13 180.429 . . 1 . . . . . . . . 4354 1 1386 . 1 1 217 217 PHE N N 15 119.381 . . 1 . . . . . . . . 4354 1 1387 . 1 1 217 217 PHE H H 1 8.321 . . 1 . . . . . . . . 4354 1 1388 . 1 1 217 217 PHE CA C 13 62.241 . . 1 . . . . . . . . 4354 1 1389 . 1 1 217 217 PHE CB C 13 37.490 . . 1 . . . . . . . . 4354 1 1390 . 1 1 218 218 ASN CA C 13 54.914 . . 1 . . . . . . . . 4354 1 1391 . 1 1 218 218 ASN C C 13 176.515 . . 1 . . . . . . . . 4354 1 1392 . 1 1 219 219 LYS N N 15 116.691 . . 1 . . . . . . . . 4354 1 1393 . 1 1 219 219 LYS H H 1 7.706 . . 1 . . . . . . . . 4354 1 1394 . 1 1 219 219 LYS CA C 13 55.486 . . 1 . . . . . . . . 4354 1 1395 . 1 1 219 219 LYS CB C 13 32.218 . . 1 . . . . . . . . 4354 1 1396 . 1 1 219 219 LYS C C 13 177.490 . . 1 . . . . . . . . 4354 1 1397 . 1 1 220 220 GLY N N 15 108.654 . . 1 . . . . . . . . 4354 1 1398 . 1 1 220 220 GLY H H 1 7.709 . . 1 . . . . . . . . 4354 1 1399 . 1 1 220 220 GLY CA C 13 45.514 . . 1 . . . . . . . . 4354 1 1400 . 1 1 220 220 GLY C C 13 174.916 . . 1 . . . . . . . . 4354 1 1401 . 1 1 221 221 GLU N N 15 116.370 . . 1 . . . . . . . . 4354 1 1402 . 1 1 221 221 GLU H H 1 8.353 . . 1 . . . . . . . . 4354 1 1403 . 1 1 221 221 GLU CA C 13 56.794 . . 1 . . . . . . . . 4354 1 1404 . 1 1 221 221 GLU CB C 13 29.818 . . 1 . . . . . . . . 4354 1 1405 . 1 1 221 221 GLU C C 13 175.557 . . 1 . . . . . . . . 4354 1 1406 . 1 1 222 222 THR N N 15 110.491 . . 1 . . . . . . . . 4354 1 1407 . 1 1 222 222 THR H H 1 6.845 . . 1 . . . . . . . . 4354 1 1408 . 1 1 222 222 THR CA C 13 57.437 . . 1 . . . . . . . . 4354 1 1409 . 1 1 222 222 THR CB C 13 69.896 . . 1 . . . . . . . . 4354 1 1410 . 1 1 222 222 THR C C 13 172.510 . . 1 . . . . . . . . 4354 1 1411 . 1 1 223 223 ALA N N 15 127.267 . . 1 . . . . . . . . 4354 1 1412 . 1 1 223 223 ALA H H 1 8.667 . . 1 . . . . . . . . 4354 1 1413 . 1 1 223 223 ALA CA C 13 54.024 . . 1 . . . . . . . . 4354 1 1414 . 1 1 223 223 ALA CB C 13 19.777 . . 1 . . . . . . . . 4354 1 1415 . 1 1 223 223 ALA C C 13 176.214 . . 1 . . . . . . . . 4354 1 1416 . 1 1 224 224 MET N N 15 114.242 . . 1 . . . . . . . . 4354 1 1417 . 1 1 224 224 MET H H 1 8.065 . . 1 . . . . . . . . 4354 1 1418 . 1 1 224 224 MET CA C 13 53.996 . . 1 . . . . . . . . 4354 1 1419 . 1 1 224 224 MET CB C 13 39.522 . . 1 . . . . . . . . 4354 1 1420 . 1 1 224 224 MET C C 13 173.714 . . 1 . . . . . . . . 4354 1 1421 . 1 1 225 225 THR N N 15 113.254 . . 1 . . . . . . . . 4354 1 1422 . 1 1 225 225 THR H H 1 9.137 . . 1 . . . . . . . . 4354 1 1423 . 1 1 225 225 THR CA C 13 58.969 . . 1 . . . . . . . . 4354 1 1424 . 1 1 225 225 THR CB C 13 70.323 . . 1 . . . . . . . . 4354 1 1425 . 1 1 225 225 THR C C 13 171.154 . . 1 . . . . . . . . 4354 1 1426 . 1 1 226 226 ILE N N 15 122.548 . . 1 . . . . . . . . 4354 1 1427 . 1 1 226 226 ILE H H 1 7.143 . . 1 . . . . . . . . 4354 1 1428 . 1 1 226 226 ILE CA C 13 59.713 . . 1 . . . . . . . . 4354 1 1429 . 1 1 226 226 ILE CB C 13 39.812 . . 1 . . . . . . . . 4354 1 1430 . 1 1 226 226 ILE CG1 C 13 26.879 . . 1 . . . . . . . . 4354 1 1431 . 1 1 226 226 ILE CD1 C 13 11.812 . . 1 . . . . . . . . 4354 1 1432 . 1 1 226 226 ILE HD11 H 1 0.072 . . 1 . . . . . . . . 4354 1 1433 . 1 1 226 226 ILE HD12 H 1 0.072 . . 1 . . . . . . . . 4354 1 1434 . 1 1 226 226 ILE HD13 H 1 0.072 . . 1 . . . . . . . . 4354 1 1435 . 1 1 226 226 ILE CG2 C 13 17.574 . . 1 . . . . . . . . 4354 1 1436 . 1 1 226 226 ILE HG21 H 1 0.845 . . 1 . . . . . . . . 4354 1 1437 . 1 1 226 226 ILE HG22 H 1 0.845 . . 1 . . . . . . . . 4354 1 1438 . 1 1 226 226 ILE HG23 H 1 0.845 . . 1 . . . . . . . . 4354 1 1439 . 1 1 226 226 ILE C C 13 174.500 . . 1 . . . . . . . . 4354 1 1440 . 1 1 227 227 ASN N N 15 121.729 . . 1 . . . . . . . . 4354 1 1441 . 1 1 227 227 ASN H H 1 8.417 . . 1 . . . . . . . . 4354 1 1442 . 1 1 227 227 ASN CA C 13 51.829 . . 1 . . . . . . . . 4354 1 1443 . 1 1 227 227 ASN CB C 13 42.187 . . 1 . . . . . . . . 4354 1 1444 . 1 1 227 227 ASN C C 13 175.287 . . 1 . . . . . . . . 4354 1 1445 . 1 1 228 228 GLY N N 15 110.654 . . 1 . . . . . . . . 4354 1 1446 . 1 1 228 228 GLY H H 1 8.241 . . 1 . . . . . . . . 4354 1 1447 . 1 1 228 228 GLY CA C 13 41.777 . . 1 . . . . . . . . 4354 1 1448 . 1 1 232 232 TRP HE1 H 1 10.489 . . 1 . . . . . . . . 4354 1 1449 . 1 1 242 242 TYR N N 15 121.680 . . 1 . . . . . . . . 4354 1 1450 . 1 1 242 242 TYR H H 1 7.861 . . 1 . . . . . . . . 4354 1 1451 . 1 1 242 242 TYR CA C 13 54.155 . . 1 . . . . . . . . 4354 1 1452 . 1 1 242 242 TYR CB C 13 40.932 . . 1 . . . . . . . . 4354 1 1453 . 1 1 242 242 TYR C C 13 174.190 . . 1 . . . . . . . . 4354 1 1454 . 1 1 243 243 GLY N N 15 107.404 . . 1 . . . . . . . . 4354 1 1455 . 1 1 243 243 GLY H H 1 8.498 . . 1 . . . . . . . . 4354 1 1456 . 1 1 243 243 GLY CA C 13 42.390 . . 1 . . . . . . . . 4354 1 1457 . 1 1 243 243 GLY C C 13 170.921 . . 1 . . . . . . . . 4354 1 1458 . 1 1 244 244 VAL N N 15 120.686 . . 1 . . . . . . . . 4354 1 1459 . 1 1 244 244 VAL H H 1 8.213 . . 1 . . . . . . . . 4354 1 1460 . 1 1 244 244 VAL CA C 13 60.891 . . 1 . . . . . . . . 4354 1 1461 . 1 1 244 244 VAL CB C 13 34.006 . . 1 . . . . . . . . 4354 1 1462 . 1 1 244 244 VAL CG2 C 13 21.547 . . 1 . . . . . . . . 4354 1 1463 . 1 1 244 244 VAL HG21 H 1 0.623 . . 1 . . . . . . . . 4354 1 1464 . 1 1 244 244 VAL HG22 H 1 0.623 . . 1 . . . . . . . . 4354 1 1465 . 1 1 244 244 VAL HG23 H 1 0.623 . . 1 . . . . . . . . 4354 1 1466 . 1 1 244 244 VAL CG1 C 13 22.005 . . 1 . . . . . . . . 4354 1 1467 . 1 1 244 244 VAL HG11 H 1 1.072 . . 1 . . . . . . . . 4354 1 1468 . 1 1 244 244 VAL HG12 H 1 1.072 . . 1 . . . . . . . . 4354 1 1469 . 1 1 244 244 VAL HG13 H 1 1.072 . . 1 . . . . . . . . 4354 1 1470 . 1 1 244 244 VAL C C 13 174.607 . . 1 . . . . . . . . 4354 1 1471 . 1 1 245 245 THR N N 15 119.531 . . 1 . . . . . . . . 4354 1 1472 . 1 1 245 245 THR H H 1 9.475 . . 1 . . . . . . . . 4354 1 1473 . 1 1 245 245 THR CA C 13 58.384 . . 1 . . . . . . . . 4354 1 1474 . 1 1 245 245 THR CB C 13 70.888 . . 1 . . . . . . . . 4354 1 1475 . 1 1 245 245 THR C C 13 173.968 . . 1 . . . . . . . . 4354 1 1476 . 1 1 246 246 VAL N N 15 123.396 . . 1 . . . . . . . . 4354 1 1477 . 1 1 246 246 VAL H H 1 8.128 . . 1 . . . . . . . . 4354 1 1478 . 1 1 246 246 VAL CA C 13 61.762 . . 1 . . . . . . . . 4354 1 1479 . 1 1 246 246 VAL CB C 13 31.902 . . 1 . . . . . . . . 4354 1 1480 . 1 1 246 246 VAL CG2 C 13 21.596 . . 1 . . . . . . . . 4354 1 1481 . 1 1 246 246 VAL HG21 H 1 0.983 . . 1 . . . . . . . . 4354 1 1482 . 1 1 246 246 VAL HG22 H 1 0.983 . . 1 . . . . . . . . 4354 1 1483 . 1 1 246 246 VAL HG23 H 1 0.983 . . 1 . . . . . . . . 4354 1 1484 . 1 1 246 246 VAL CG1 C 13 20.500 . . 1 . . . . . . . . 4354 1 1485 . 1 1 246 246 VAL HG11 H 1 0.979 . . 1 . . . . . . . . 4354 1 1486 . 1 1 246 246 VAL HG12 H 1 0.979 . . 1 . . . . . . . . 4354 1 1487 . 1 1 246 246 VAL HG13 H 1 0.979 . . 1 . . . . . . . . 4354 1 1488 . 1 1 246 246 VAL C C 13 174.863 . . 1 . . . . . . . . 4354 1 1489 . 1 1 247 247 LEU N N 15 125.413 . . 1 . . . . . . . . 4354 1 1490 . 1 1 247 247 LEU H H 1 8.573 . . 1 . . . . . . . . 4354 1 1491 . 1 1 247 247 LEU CA C 13 53.809 . . 1 . . . . . . . . 4354 1 1492 . 1 1 247 247 LEU CB C 13 39.736 . . 1 . . . . . . . . 4354 1 1493 . 1 1 247 247 LEU CG C 13 27.703 . . 1 . . . . . . . . 4354 1 1494 . 1 1 247 247 LEU CD1 C 13 25.833 . . 1 . . . . . . . . 4354 1 1495 . 1 1 247 247 LEU HD11 H 1 0.663 . . 1 . . . . . . . . 4354 1 1496 . 1 1 247 247 LEU HD12 H 1 0.663 . . 1 . . . . . . . . 4354 1 1497 . 1 1 247 247 LEU HD13 H 1 0.663 . . 1 . . . . . . . . 4354 1 1498 . 1 1 247 247 LEU CD2 C 13 23.892 . . 1 . . . . . . . . 4354 1 1499 . 1 1 247 247 LEU HD21 H 1 0.651 . . 1 . . . . . . . . 4354 1 1500 . 1 1 247 247 LEU HD22 H 1 0.651 . . 1 . . . . . . . . 4354 1 1501 . 1 1 247 247 LEU HD23 H 1 0.651 . . 1 . . . . . . . . 4354 1 1502 . 1 1 248 248 PRO CA C 13 61.349 . . 1 . . . . . . . . 4354 1 1503 . 1 1 248 248 PRO CB C 13 29.690 . . 1 . . . . . . . . 4354 1 1504 . 1 1 248 248 PRO C C 13 175.317 . . 1 . . . . . . . . 4354 1 1505 . 1 1 249 249 THR N N 15 111.586 . . 1 . . . . . . . . 4354 1 1506 . 1 1 249 249 THR H H 1 8.785 . . 1 . . . . . . . . 4354 1 1507 . 1 1 249 249 THR CA C 13 60.374 . . 1 . . . . . . . . 4354 1 1508 . 1 1 249 249 THR CB C 13 70.732 . . 1 . . . . . . . . 4354 1 1509 . 1 1 249 249 THR C C 13 174.342 . . 1 . . . . . . . . 4354 1 1510 . 1 1 250 250 PHE N N 15 121.837 . . 1 . . . . . . . . 4354 1 1511 . 1 1 250 250 PHE H H 1 9.556 . . 1 . . . . . . . . 4354 1 1512 . 1 1 250 250 PHE CA C 13 56.198 . . 1 . . . . . . . . 4354 1 1513 . 1 1 250 250 PHE CB C 13 41.159 . . 1 . . . . . . . . 4354 1 1514 . 1 1 250 250 PHE C C 13 174.418 . . 1 . . . . . . . . 4354 1 1515 . 1 1 251 251 LYS N N 15 129.596 . . 1 . . . . . . . . 4354 1 1516 . 1 1 251 251 LYS H H 1 10.552 . . 1 . . . . . . . . 4354 1 1517 . 1 1 251 251 LYS CA C 13 56.733 . . 1 . . . . . . . . 4354 1 1518 . 1 1 251 251 LYS CB C 13 27.627 . . 1 . . . . . . . . 4354 1 1519 . 1 1 251 251 LYS C C 13 177.436 . . 1 . . . . . . . . 4354 1 1520 . 1 1 252 252 GLY N N 15 103.500 . . 1 . . . . . . . . 4354 1 1521 . 1 1 252 252 GLY H H 1 9.010 . . 1 . . . . . . . . 4354 1 1522 . 1 1 252 252 GLY CA C 13 44.461 . . 1 . . . . . . . . 4354 1 1523 . 1 1 252 252 GLY C C 13 173.646 . . 1 . . . . . . . . 4354 1 1524 . 1 1 253 253 GLN N N 15 122.291 . . 1 . . . . . . . . 4354 1 1525 . 1 1 253 253 GLN H H 1 8.227 . . 1 . . . . . . . . 4354 1 1526 . 1 1 253 253 GLN CA C 13 51.730 . . 1 . . . . . . . . 4354 1 1527 . 1 1 253 253 GLN CB C 13 28.740 . . 1 . . . . . . . . 4354 1 1528 . 1 1 254 254 PRO CA C 13 62.660 . . 1 . . . . . . . . 4354 1 1529 . 1 1 254 254 PRO CB C 13 30.600 . . 1 . . . . . . . . 4354 1 1530 . 1 1 254 254 PRO C C 13 178.347 . . 1 . . . . . . . . 4354 1 1531 . 1 1 255 255 SER N N 15 117.900 . . 1 . . . . . . . . 4354 1 1532 . 1 1 255 255 SER H H 1 7.971 . . 1 . . . . . . . . 4354 1 1533 . 1 1 255 255 SER CA C 13 61.510 . . 1 . . . . . . . . 4354 1 1534 . 1 1 255 255 SER CB C 13 64.260 . . 1 . . . . . . . . 4354 1 1535 . 1 1 255 255 SER C C 13 173.318 . . 1 . . . . . . . . 4354 1 1536 . 1 1 256 256 LYS N N 15 123.300 . . 1 . . . . . . . . 4354 1 1537 . 1 1 256 256 LYS H H 1 7.646 . . 1 . . . . . . . . 4354 1 1538 . 1 1 256 256 LYS CA C 13 52.450 . . 1 . . . . . . . . 4354 1 1539 . 1 1 256 256 LYS CB C 13 32.690 . . 1 . . . . . . . . 4354 1 1540 . 1 1 257 257 PRO CA C 13 61.655 . . 1 . . . . . . . . 4354 1 1541 . 1 1 257 257 PRO CB C 13 30.833 . . 1 . . . . . . . . 4354 1 1542 . 1 1 257 257 PRO C C 13 176.914 . . 1 . . . . . . . . 4354 1 1543 . 1 1 258 258 PHE N N 15 118.379 . . 1 . . . . . . . . 4354 1 1544 . 1 1 258 258 PHE H H 1 9.326 . . 1 . . . . . . . . 4354 1 1545 . 1 1 258 258 PHE CA C 13 57.839 . . 1 . . . . . . . . 4354 1 1546 . 1 1 258 258 PHE CB C 13 39.472 . . 1 . . . . . . . . 4354 1 1547 . 1 1 258 258 PHE C C 13 177.387 . . 1 . . . . . . . . 4354 1 1548 . 1 1 259 259 VAL N N 15 121.827 . . 1 . . . . . . . . 4354 1 1549 . 1 1 259 259 VAL H H 1 8.747 . . 1 . . . . . . . . 4354 1 1550 . 1 1 259 259 VAL CA C 13 61.340 . . 1 . . . . . . . . 4354 1 1551 . 1 1 259 259 VAL CB C 13 33.556 . . 1 . . . . . . . . 4354 1 1552 . 1 1 259 259 VAL CG2 C 13 22.726 . . 1 . . . . . . . . 4354 1 1553 . 1 1 259 259 VAL HG21 H 1 1.013 . . 1 . . . . . . . . 4354 1 1554 . 1 1 259 259 VAL HG22 H 1 1.013 . . 1 . . . . . . . . 4354 1 1555 . 1 1 259 259 VAL HG23 H 1 1.013 . . 1 . . . . . . . . 4354 1 1556 . 1 1 259 259 VAL CG1 C 13 21.685 . . 1 . . . . . . . . 4354 1 1557 . 1 1 259 259 VAL HG11 H 1 0.933 . . 1 . . . . . . . . 4354 1 1558 . 1 1 259 259 VAL HG12 H 1 0.933 . . 1 . . . . . . . . 4354 1 1559 . 1 1 259 259 VAL HG13 H 1 0.933 . . 1 . . . . . . . . 4354 1 1560 . 1 1 259 259 VAL C C 13 176.248 . . 1 . . . . . . . . 4354 1 1561 . 1 1 260 260 GLY N N 15 115.956 . . 1 . . . . . . . . 4354 1 1562 . 1 1 260 260 GLY H H 1 8.845 . . 1 . . . . . . . . 4354 1 1563 . 1 1 260 260 GLY CA C 13 44.249 . . 1 . . . . . . . . 4354 1 1564 . 1 1 260 260 GLY C C 13 171.353 . . 1 . . . . . . . . 4354 1 1565 . 1 1 261 261 VAL N N 15 129.077 . . 1 . . . . . . . . 4354 1 1566 . 1 1 261 261 VAL H H 1 11.034 . . 1 . . . . . . . . 4354 1 1567 . 1 1 261 261 VAL CA C 13 59.609 . . 1 . . . . . . . . 4354 1 1568 . 1 1 261 261 VAL CB C 13 32.506 . . 1 . . . . . . . . 4354 1 1569 . 1 1 261 261 VAL CG2 C 13 21.102 . . 1 . . . . . . . . 4354 1 1570 . 1 1 261 261 VAL HG21 H 1 0.563 . . 1 . . . . . . . . 4354 1 1571 . 1 1 261 261 VAL HG22 H 1 0.563 . . 1 . . . . . . . . 4354 1 1572 . 1 1 261 261 VAL HG23 H 1 0.563 . . 1 . . . . . . . . 4354 1 1573 . 1 1 261 261 VAL CG1 C 13 20.328 . . 1 . . . . . . . . 4354 1 1574 . 1 1 261 261 VAL HG11 H 1 0.695 . . 1 . . . . . . . . 4354 1 1575 . 1 1 261 261 VAL HG12 H 1 0.695 . . 1 . . . . . . . . 4354 1 1576 . 1 1 261 261 VAL HG13 H 1 0.695 . . 1 . . . . . . . . 4354 1 1577 . 1 1 261 261 VAL C C 13 179.117 . . 1 . . . . . . . . 4354 1 1578 . 1 1 262 262 LEU N N 15 134.21 . . 1 . . . . . . . . 4354 1 1579 . 1 1 262 262 LEU H H 1 8.807 . . 1 . . . . . . . . 4354 1 1580 . 1 1 262 262 LEU CA C 13 55.980 . . 1 . . . . . . . . 4354 1 1581 . 1 1 262 262 LEU CB C 13 40.387 . . 1 . . . . . . . . 4354 1 1582 . 1 1 262 262 LEU CG C 13 26.966 . . 1 . . . . . . . . 4354 1 1583 . 1 1 262 262 LEU CD1 C 13 22.681 . . 1 . . . . . . . . 4354 1 1584 . 1 1 262 262 LEU HD11 H 1 0.806 . . 1 . . . . . . . . 4354 1 1585 . 1 1 262 262 LEU HD12 H 1 0.806 . . 1 . . . . . . . . 4354 1 1586 . 1 1 262 262 LEU HD13 H 1 0.806 . . 1 . . . . . . . . 4354 1 1587 . 1 1 262 262 LEU CD2 C 13 25.246 . . 1 . . . . . . . . 4354 1 1588 . 1 1 262 262 LEU HD21 H 1 0.887 . . 1 . . . . . . . . 4354 1 1589 . 1 1 262 262 LEU HD22 H 1 0.887 . . 1 . . . . . . . . 4354 1 1590 . 1 1 262 262 LEU HD23 H 1 0.887 . . 1 . . . . . . . . 4354 1 1591 . 1 1 262 262 LEU C C 13 174.968 . . 1 . . . . . . . . 4354 1 1592 . 1 1 263 263 SER N N 15 126.557 . . 1 . . . . . . . . 4354 1 1593 . 1 1 263 263 SER H H 1 8.765 . . 1 . . . . . . . . 4354 1 1594 . 1 1 263 263 SER CA C 13 58.166 . . 1 . . . . . . . . 4354 1 1595 . 1 1 263 263 SER CB C 13 65.537 . . 1 . . . . . . . . 4354 1 1596 . 1 1 263 263 SER C C 13 170.462 . . 1 . . . . . . . . 4354 1 1597 . 1 1 264 264 ALA N N 15 123.637 . . 1 . . . . . . . . 4354 1 1598 . 1 1 264 264 ALA H H 1 9.127 . . 1 . . . . . . . . 4354 1 1599 . 1 1 264 264 ALA CA C 13 49.243 . . 1 . . . . . . . . 4354 1 1600 . 1 1 264 264 ALA CB C 13 20.238 . . 1 . . . . . . . . 4354 1 1601 . 1 1 264 264 ALA C C 13 175.938 . . 1 . . . . . . . . 4354 1 1602 . 1 1 265 265 GLY N N 15 110.678 . . 1 . . . . . . . . 4354 1 1603 . 1 1 265 265 GLY H H 1 9.411 . . 1 . . . . . . . . 4354 1 1604 . 1 1 265 265 GLY CA C 13 42.324 . . 1 . . . . . . . . 4354 1 1605 . 1 1 265 265 GLY C C 13 170.871 . . 1 . . . . . . . . 4354 1 1606 . 1 1 266 266 ILE N N 15 123.631 . . 1 . . . . . . . . 4354 1 1607 . 1 1 266 266 ILE H H 1 10.279 . . 1 . . . . . . . . 4354 1 1608 . 1 1 266 266 ILE CA C 13 59.199 . . 1 . . . . . . . . 4354 1 1609 . 1 1 266 266 ILE CB C 13 38.984 . . 1 . . . . . . . . 4354 1 1610 . 1 1 266 266 ILE CG1 C 13 27.140 . . 1 . . . . . . . . 4354 1 1611 . 1 1 266 266 ILE CD1 C 13 13.820 . . 1 . . . . . . . . 4354 1 1612 . 1 1 266 266 ILE HD11 H 1 0.925 . . 1 . . . . . . . . 4354 1 1613 . 1 1 266 266 ILE HD12 H 1 0.925 . . 1 . . . . . . . . 4354 1 1614 . 1 1 266 266 ILE HD13 H 1 0.925 . . 1 . . . . . . . . 4354 1 1615 . 1 1 266 266 ILE CG2 C 13 15.815 . . 1 . . . . . . . . 4354 1 1616 . 1 1 266 266 ILE HG21 H 1 0.805 . . 1 . . . . . . . . 4354 1 1617 . 1 1 266 266 ILE HG22 H 1 0.805 . . 1 . . . . . . . . 4354 1 1618 . 1 1 266 266 ILE HG23 H 1 0.805 . . 1 . . . . . . . . 4354 1 1619 . 1 1 266 266 ILE C C 13 174.997 . . 1 . . . . . . . . 4354 1 1620 . 1 1 267 267 ASN N N 15 125.609 . . 1 . . . . . . . . 4354 1 1621 . 1 1 267 267 ASN H H 1 8.178 . . 1 . . . . . . . . 4354 1 1622 . 1 1 267 267 ASN CA C 13 52.884 . . 1 . . . . . . . . 4354 1 1623 . 1 1 267 267 ASN CB C 13 38.180 . . 1 . . . . . . . . 4354 1 1624 . 1 1 267 267 ASN C C 13 177.019 . . 1 . . . . . . . . 4354 1 1625 . 1 1 268 268 ALA N N 15 130.971 . . 1 . . . . . . . . 4354 1 1626 . 1 1 268 268 ALA H H 1 8.832 . . 1 . . . . . . . . 4354 1 1627 . 1 1 268 268 ALA CA C 13 54.667 . . 1 . . . . . . . . 4354 1 1628 . 1 1 268 268 ALA CB C 13 17.265 . . 1 . . . . . . . . 4354 1 1629 . 1 1 268 268 ALA C C 13 178.176 . . 1 . . . . . . . . 4354 1 1630 . 1 1 269 269 ALA N N 15 118.137 . . 1 . . . . . . . . 4354 1 1631 . 1 1 269 269 ALA H H 1 8.165 . . 1 . . . . . . . . 4354 1 1632 . 1 1 269 269 ALA CA C 13 50.743 . . 1 . . . . . . . . 4354 1 1633 . 1 1 269 269 ALA CB C 13 17.931 . . 1 . . . . . . . . 4354 1 1634 . 1 1 269 269 ALA C C 13 177.853 . . 1 . . . . . . . . 4354 1 1635 . 1 1 270 270 SER N N 15 113.584 . . 1 . . . . . . . . 4354 1 1636 . 1 1 270 270 SER H H 1 7.530 . . 1 . . . . . . . . 4354 1 1637 . 1 1 270 270 SER CA C 13 55.531 . . 1 . . . . . . . . 4354 1 1638 . 1 1 270 270 SER CB C 13 63.833 . . 1 . . . . . . . . 4354 1 1639 . 1 1 271 271 PRO CA C 13 62.991 . . 1 . . . . . . . . 4354 1 1640 . 1 1 271 271 PRO CB C 13 30.570 . . 1 . . . . . . . . 4354 1 1641 . 1 1 271 271 PRO C C 13 175.759 . . 1 . . . . . . . . 4354 1 1642 . 1 1 272 272 ASN N N 15 119.511 . . 1 . . . . . . . . 4354 1 1643 . 1 1 272 272 ASN H H 1 8.772 . . 1 . . . . . . . . 4354 1 1644 . 1 1 272 272 ASN CA C 13 52.040 . . 1 . . . . . . . . 4354 1 1645 . 1 1 272 272 ASN CB C 13 39.875 . . 1 . . . . . . . . 4354 1 1646 . 1 1 272 272 ASN C C 13 176.026 . . 1 . . . . . . . . 4354 1 1647 . 1 1 273 273 LYS N N 15 119.215 . . 1 . . . . . . . . 4354 1 1648 . 1 1 273 273 LYS H H 1 7.816 . . 1 . . . . . . . . 4354 1 1649 . 1 1 273 273 LYS CA C 13 61.061 . . 1 . . . . . . . . 4354 1 1650 . 1 1 273 273 LYS CB C 13 31.136 . . 1 . . . . . . . . 4354 1 1651 . 1 1 273 273 LYS C C 13 178.610 . . 1 . . . . . . . . 4354 1 1652 . 1 1 274 274 GLU N N 15 118.213 . . 1 . . . . . . . . 4354 1 1653 . 1 1 274 274 GLU H H 1 8.805 . . 1 . . . . . . . . 4354 1 1654 . 1 1 274 274 GLU CA C 13 59.324 . . 1 . . . . . . . . 4354 1 1655 . 1 1 274 274 GLU CB C 13 27.425 . . 1 . . . . . . . . 4354 1 1656 . 1 1 274 274 GLU C C 13 179.494 . . 1 . . . . . . . . 4354 1 1657 . 1 1 275 275 LEU N N 15 120.704 . . 1 . . . . . . . . 4354 1 1658 . 1 1 275 275 LEU H H 1 7.445 . . 1 . . . . . . . . 4354 1 1659 . 1 1 275 275 LEU CA C 13 56.738 . . 1 . . . . . . . . 4354 1 1660 . 1 1 275 275 LEU CB C 13 41.540 . . 1 . . . . . . . . 4354 1 1661 . 1 1 275 275 LEU CG C 13 26.244 . . 1 . . . . . . . . 4354 1 1662 . 1 1 275 275 LEU CD1 C 13 25.419 . . 1 . . . . . . . . 4354 1 1663 . 1 1 275 275 LEU HD11 H 1 0.953 . . 1 . . . . . . . . 4354 1 1664 . 1 1 275 275 LEU HD12 H 1 0.953 . . 1 . . . . . . . . 4354 1 1665 . 1 1 275 275 LEU HD13 H 1 0.953 . . 1 . . . . . . . . 4354 1 1666 . 1 1 275 275 LEU CD2 C 13 22.700 . . 1 . . . . . . . . 4354 1 1667 . 1 1 275 275 LEU HD21 H 1 0.962 . . 1 . . . . . . . . 4354 1 1668 . 1 1 275 275 LEU HD22 H 1 0.962 . . 1 . . . . . . . . 4354 1 1669 . 1 1 275 275 LEU HD23 H 1 0.962 . . 1 . . . . . . . . 4354 1 1670 . 1 1 275 275 LEU C C 13 178.176 . . 1 . . . . . . . . 4354 1 1671 . 1 1 276 276 ALA N N 15 120.313 . . 1 . . . . . . . . 4354 1 1672 . 1 1 276 276 ALA H H 1 8.309 . . 1 . . . . . . . . 4354 1 1673 . 1 1 276 276 ALA CA C 13 54.791 . . 1 . . . . . . . . 4354 1 1674 . 1 1 276 276 ALA CB C 13 17.208 . . 1 . . . . . . . . 4354 1 1675 . 1 1 276 276 ALA C C 13 178.331 . . 1 . . . . . . . . 4354 1 1676 . 1 1 277 277 LYS N N 15 118.217 . . 1 . . . . . . . . 4354 1 1677 . 1 1 277 277 LYS H H 1 7.812 . . 1 . . . . . . . . 4354 1 1678 . 1 1 277 277 LYS CA C 13 59.603 . . 1 . . . . . . . . 4354 1 1679 . 1 1 277 277 LYS CB C 13 31.774 . . 1 . . . . . . . . 4354 1 1680 . 1 1 277 277 LYS C C 13 177.006 . . 1 . . . . . . . . 4354 1 1681 . 1 1 278 278 GLU N N 15 118.789 . . 1 . . . . . . . . 4354 1 1682 . 1 1 278 278 GLU H H 1 7.597 . . 1 . . . . . . . . 4354 1 1683 . 1 1 278 278 GLU CA C 13 59.045 . . 1 . . . . . . . . 4354 1 1684 . 1 1 278 278 GLU CB C 13 28.612 . . 1 . . . . . . . . 4354 1 1685 . 1 1 278 278 GLU C C 13 179.014 . . 1 . . . . . . . . 4354 1 1686 . 1 1 279 279 PHE N N 15 118.370 . . 1 . . . . . . . . 4354 1 1687 . 1 1 279 279 PHE H H 1 8.396 . . 1 . . . . . . . . 4354 1 1688 . 1 1 279 279 PHE CA C 13 61.034 . . 1 . . . . . . . . 4354 1 1689 . 1 1 279 279 PHE CB C 13 37.809 . . 1 . . . . . . . . 4354 1 1690 . 1 1 279 279 PHE C C 13 177.325 . . 1 . . . . . . . . 4354 1 1691 . 1 1 280 280 LEU N N 15 119.928 . . 1 . . . . . . . . 4354 1 1692 . 1 1 280 280 LEU H H 1 8.343 . . 1 . . . . . . . . 4354 1 1693 . 1 1 280 280 LEU CA C 13 57.670 . . 1 . . . . . . . . 4354 1 1694 . 1 1 280 280 LEU CB C 13 40.127 . . 1 . . . . . . . . 4354 1 1695 . 1 1 280 280 LEU CG C 13 26.930 . . 1 . . . . . . . . 4354 1 1696 . 1 1 280 280 LEU CD1 C 13 25.779 . . 1 . . . . . . . . 4354 1 1697 . 1 1 280 280 LEU HD11 H 1 0.672 . . 1 . . . . . . . . 4354 1 1698 . 1 1 280 280 LEU HD12 H 1 0.672 . . 1 . . . . . . . . 4354 1 1699 . 1 1 280 280 LEU HD13 H 1 0.672 . . 1 . . . . . . . . 4354 1 1700 . 1 1 280 280 LEU CD2 C 13 23.425 . . 1 . . . . . . . . 4354 1 1701 . 1 1 280 280 LEU HD21 H 1 0.717 . . 1 . . . . . . . . 4354 1 1702 . 1 1 280 280 LEU HD22 H 1 0.717 . . 1 . . . . . . . . 4354 1 1703 . 1 1 280 280 LEU HD23 H 1 0.717 . . 1 . . . . . . . . 4354 1 1704 . 1 1 280 280 LEU C C 13 176.882 . . 1 . . . . . . . . 4354 1 1705 . 1 1 281 281 GLU N N 15 112.877 . . 1 . . . . . . . . 4354 1 1706 . 1 1 281 281 GLU H H 1 8.405 . . 1 . . . . . . . . 4354 1 1707 . 1 1 281 281 GLU CA C 13 58.919 . . 1 . . . . . . . . 4354 1 1708 . 1 1 281 281 GLU CB C 13 28.863 . . 1 . . . . . . . . 4354 1 1709 . 1 1 281 281 GLU C C 13 176.822 . . 1 . . . . . . . . 4354 1 1710 . 1 1 282 282 ASN N N 15 108.873 . . 1 . . . . . . . . 4354 1 1711 . 1 1 282 282 ASN H H 1 7.730 . . 1 . . . . . . . . 4354 1 1712 . 1 1 282 282 ASN CA C 13 52.467 . . 1 . . . . . . . . 4354 1 1713 . 1 1 282 282 ASN CB C 13 38.449 . . 1 . . . . . . . . 4354 1 1714 . 1 1 282 282 ASN C C 13 174.985 . . 1 . . . . . . . . 4354 1 1715 . 1 1 283 283 TYR N N 15 116.280 . . 1 . . . . . . . . 4354 1 1716 . 1 1 283 283 TYR H H 1 7.162 . . 1 . . . . . . . . 4354 1 1717 . 1 1 283 283 TYR CA C 13 59.176 . . 1 . . . . . . . . 4354 1 1718 . 1 1 283 283 TYR CB C 13 37.351 . . 1 . . . . . . . . 4354 1 1719 . 1 1 283 283 TYR C C 13 176.025 . . 1 . . . . . . . . 4354 1 1720 . 1 1 284 284 LEU N N 15 121.293 . . 1 . . . . . . . . 4354 1 1721 . 1 1 284 284 LEU H H 1 8.070 . . 1 . . . . . . . . 4354 1 1722 . 1 1 284 284 LEU CA C 13 57.548 . . 1 . . . . . . . . 4354 1 1723 . 1 1 284 284 LEU CB C 13 40.447 . . 1 . . . . . . . . 4354 1 1724 . 1 1 284 284 LEU CG C 13 26.900 . . 1 . . . . . . . . 4354 1 1725 . 1 1 284 284 LEU CD1 C 13 23.916 . . 1 . . . . . . . . 4354 1 1726 . 1 1 284 284 LEU HD11 H 1 0.848 . . 1 . . . . . . . . 4354 1 1727 . 1 1 284 284 LEU HD12 H 1 0.848 . . 1 . . . . . . . . 4354 1 1728 . 1 1 284 284 LEU HD13 H 1 0.848 . . 1 . . . . . . . . 4354 1 1729 . 1 1 284 284 LEU CD2 C 13 27.320 . . 1 . . . . . . . . 4354 1 1730 . 1 1 284 284 LEU HD21 H 1 1.045 . . 1 . . . . . . . . 4354 1 1731 . 1 1 284 284 LEU HD22 H 1 1.045 . . 1 . . . . . . . . 4354 1 1732 . 1 1 284 284 LEU HD23 H 1 1.045 . . 1 . . . . . . . . 4354 1 1733 . 1 1 284 284 LEU C C 13 176.696 . . 1 . . . . . . . . 4354 1 1734 . 1 1 285 285 LEU N N 15 119.221 . . 1 . . . . . . . . 4354 1 1735 . 1 1 285 285 LEU H H 1 7.817 . . 1 . . . . . . . . 4354 1 1736 . 1 1 285 285 LEU CA C 13 53.834 . . 1 . . . . . . . . 4354 1 1737 . 1 1 285 285 LEU CB C 13 37.817 . . 1 . . . . . . . . 4354 1 1738 . 1 1 285 285 LEU CG C 13 27.470 . . 1 . . . . . . . . 4354 1 1739 . 1 1 285 285 LEU CD1 C 13 25.696 . . 1 . . . . . . . . 4354 1 1740 . 1 1 285 285 LEU HD11 H 1 1.061 . . 1 . . . . . . . . 4354 1 1741 . 1 1 285 285 LEU HD12 H 1 1.061 . . 1 . . . . . . . . 4354 1 1742 . 1 1 285 285 LEU HD13 H 1 1.061 . . 1 . . . . . . . . 4354 1 1743 . 1 1 285 285 LEU CD2 C 13 24.053 . . 1 . . . . . . . . 4354 1 1744 . 1 1 285 285 LEU HD21 H 1 1.122 . . 1 . . . . . . . . 4354 1 1745 . 1 1 285 285 LEU HD22 H 1 1.122 . . 1 . . . . . . . . 4354 1 1746 . 1 1 285 285 LEU HD23 H 1 1.122 . . 1 . . . . . . . . 4354 1 1747 . 1 1 285 285 LEU C C 13 174.717 . . 1 . . . . . . . . 4354 1 1748 . 1 1 286 286 THR N N 15 108.711 . . 1 . . . . . . . . 4354 1 1749 . 1 1 286 286 THR H H 1 8.533 . . 1 . . . . . . . . 4354 1 1750 . 1 1 286 286 THR CA C 13 58.306 . . 1 . . . . . . . . 4354 1 1751 . 1 1 286 286 THR CB C 13 72.916 . . 1 . . . . . . . . 4354 1 1752 . 1 1 286 286 THR C C 13 174.055 . . 1 . . . . . . . . 4354 1 1753 . 1 1 287 287 ASP N N 15 122.011 . . 1 . . . . . . . . 4354 1 1754 . 1 1 287 287 ASP H H 1 8.505 . . 1 . . . . . . . . 4354 1 1755 . 1 1 287 287 ASP CA C 13 57.788 . . 1 . . . . . . . . 4354 1 1756 . 1 1 287 287 ASP CB C 13 38.986 . . 1 . . . . . . . . 4354 1 1757 . 1 1 287 287 ASP C C 13 177.530 . . 1 . . . . . . . . 4354 1 1758 . 1 1 288 288 GLU N N 15 115.590 . . 1 . . . . . . . . 4354 1 1759 . 1 1 288 288 GLU H H 1 8.404 . . 1 . . . . . . . . 4354 1 1760 . 1 1 288 288 GLU CA C 13 58.668 . . 1 . . . . . . . . 4354 1 1761 . 1 1 288 288 GLU CB C 13 28.589 . . 1 . . . . . . . . 4354 1 1762 . 1 1 288 288 GLU C C 13 179.860 . . 1 . . . . . . . . 4354 1 1763 . 1 1 289 289 GLY N N 15 112.872 . . 1 . . . . . . . . 4354 1 1764 . 1 1 289 289 GLY H H 1 8.314 . . 1 . . . . . . . . 4354 1 1765 . 1 1 289 289 GLY CA C 13 46.308 . . 1 . . . . . . . . 4354 1 1766 . 1 1 289 289 GLY C C 13 175.007 . . 1 . . . . . . . . 4354 1 1767 . 1 1 290 290 LEU N N 15 119.452 . . 1 . . . . . . . . 4354 1 1768 . 1 1 290 290 LEU H H 1 8.190 . . 1 . . . . . . . . 4354 1 1769 . 1 1 290 290 LEU CA C 13 56.683 . . 1 . . . . . . . . 4354 1 1770 . 1 1 290 290 LEU CB C 13 41.001 . . 1 . . . . . . . . 4354 1 1771 . 1 1 290 290 LEU CG C 13 25.326 . . 1 . . . . . . . . 4354 1 1772 . 1 1 290 290 LEU CD1 C 13 27.903 . . 1 . . . . . . . . 4354 1 1773 . 1 1 290 290 LEU HD11 H 1 1.081 . . 1 . . . . . . . . 4354 1 1774 . 1 1 290 290 LEU HD12 H 1 1.081 . . 1 . . . . . . . . 4354 1 1775 . 1 1 290 290 LEU HD13 H 1 1.081 . . 1 . . . . . . . . 4354 1 1776 . 1 1 290 290 LEU CD2 C 13 21.851 . . 1 . . . . . . . . 4354 1 1777 . 1 1 290 290 LEU HD21 H 1 0.800 . . 1 . . . . . . . . 4354 1 1778 . 1 1 290 290 LEU HD22 H 1 0.800 . . 1 . . . . . . . . 4354 1 1779 . 1 1 290 290 LEU HD23 H 1 0.800 . . 1 . . . . . . . . 4354 1 1780 . 1 1 290 290 LEU C C 13 178.641 . . 1 . . . . . . . . 4354 1 1781 . 1 1 291 291 GLU N N 15 120.911 . . 1 . . . . . . . . 4354 1 1782 . 1 1 291 291 GLU H H 1 7.725 . . 1 . . . . . . . . 4354 1 1783 . 1 1 291 291 GLU CA C 13 58.822 . . 1 . . . . . . . . 4354 1 1784 . 1 1 291 291 GLU CB C 13 28.456 . . 1 . . . . . . . . 4354 1 1785 . 1 1 291 291 GLU C C 13 177.928 . . 1 . . . . . . . . 4354 1 1786 . 1 1 292 292 ALA N N 15 119.805 . . 1 . . . . . . . . 4354 1 1787 . 1 1 292 292 ALA H H 1 7.176 . . 1 . . . . . . . . 4354 1 1788 . 1 1 292 292 ALA CA C 13 54.649 . . 1 . . . . . . . . 4354 1 1789 . 1 1 292 292 ALA CB C 13 17.004 . . 1 . . . . . . . . 4354 1 1790 . 1 1 292 292 ALA C C 13 180.528 . . 1 . . . . . . . . 4354 1 1791 . 1 1 293 293 VAL N N 15 115.817 . . 1 . . . . . . . . 4354 1 1792 . 1 1 293 293 VAL H H 1 7.249 . . 1 . . . . . . . . 4354 1 1793 . 1 1 293 293 VAL CA C 13 66.704 . . 1 . . . . . . . . 4354 1 1794 . 1 1 293 293 VAL CB C 13 31.507 . . 1 . . . . . . . . 4354 1 1795 . 1 1 293 293 VAL CG2 C 13 22.246 . . 1 . . . . . . . . 4354 1 1796 . 1 1 293 293 VAL HG21 H 1 0.901 . . 1 . . . . . . . . 4354 1 1797 . 1 1 293 293 VAL HG22 H 1 0.901 . . 1 . . . . . . . . 4354 1 1798 . 1 1 293 293 VAL HG23 H 1 0.901 . . 1 . . . . . . . . 4354 1 1799 . 1 1 293 293 VAL CG1 C 13 21.422 . . 1 . . . . . . . . 4354 1 1800 . 1 1 293 293 VAL HG11 H 1 1.004 . . 1 . . . . . . . . 4354 1 1801 . 1 1 293 293 VAL HG12 H 1 1.004 . . 1 . . . . . . . . 4354 1 1802 . 1 1 293 293 VAL HG13 H 1 1.004 . . 1 . . . . . . . . 4354 1 1803 . 1 1 293 293 VAL C C 13 176.790 . . 1 . . . . . . . . 4354 1 1804 . 1 1 294 294 ASN N N 15 117.365 . . 1 . . . . . . . . 4354 1 1805 . 1 1 294 294 ASN H H 1 8.689 . . 1 . . . . . . . . 4354 1 1806 . 1 1 294 294 ASN CA C 13 55.618 . . 1 . . . . . . . . 4354 1 1807 . 1 1 294 294 ASN CB C 13 40.348 . . 1 . . . . . . . . 4354 1 1808 . 1 1 294 294 ASN C C 13 176.122 . . 1 . . . . . . . . 4354 1 1809 . 1 1 295 295 LYS N N 15 115.969 . . 1 . . . . . . . . 4354 1 1810 . 1 1 295 295 LYS H H 1 8.246 . . 1 . . . . . . . . 4354 1 1811 . 1 1 295 295 LYS CA C 13 57.790 . . 1 . . . . . . . . 4354 1 1812 . 1 1 295 295 LYS CB C 13 31.477 . . 1 . . . . . . . . 4354 1 1813 . 1 1 295 295 LYS C C 13 177.164 . . 1 . . . . . . . . 4354 1 1814 . 1 1 296 296 ASP N N 15 118.788 . . 1 . . . . . . . . 4354 1 1815 . 1 1 296 296 ASP H H 1 7.272 . . 1 . . . . . . . . 4354 1 1816 . 1 1 296 296 ASP CA C 13 55.530 . . 1 . . . . . . . . 4354 1 1817 . 1 1 296 296 ASP CB C 13 41.470 . . 1 . . . . . . . . 4354 1 1818 . 1 1 296 296 ASP C C 13 175.889 . . 1 . . . . . . . . 4354 1 1819 . 1 1 297 297 LYS N N 15 115.853 . . 1 . . . . . . . . 4354 1 1820 . 1 1 297 297 LYS H H 1 7.625 . . 1 . . . . . . . . 4354 1 1821 . 1 1 297 297 LYS CA C 13 52.010 . . 1 . . . . . . . . 4354 1 1822 . 1 1 297 297 LYS CB C 13 34.110 . . 1 . . . . . . . . 4354 1 1823 . 1 1 298 298 PRO CA C 13 62.580 . . 1 . . . . . . . . 4354 1 1824 . 1 1 298 298 PRO CB C 13 31.041 . . 1 . . . . . . . . 4354 1 1825 . 1 1 298 298 PRO C C 13 178.563 . . 1 . . . . . . . . 4354 1 1826 . 1 1 299 299 LEU N N 15 122.429 . . 1 . . . . . . . . 4354 1 1827 . 1 1 299 299 LEU H H 1 8.598 . . 1 . . . . . . . . 4354 1 1828 . 1 1 299 299 LEU CA C 13 55.063 . . 1 . . . . . . . . 4354 1 1829 . 1 1 299 299 LEU CB C 13 43.177 . . 1 . . . . . . . . 4354 1 1830 . 1 1 299 299 LEU CG C 13 26.483 . . 1 . . . . . . . . 4354 1 1831 . 1 1 299 299 LEU CD1 C 13 26.679 . . 1 . . . . . . . . 4354 1 1832 . 1 1 299 299 LEU HD11 H 1 0.912 . . 1 . . . . . . . . 4354 1 1833 . 1 1 299 299 LEU HD12 H 1 0.912 . . 1 . . . . . . . . 4354 1 1834 . 1 1 299 299 LEU HD13 H 1 0.912 . . 1 . . . . . . . . 4354 1 1835 . 1 1 299 299 LEU CD2 C 13 22.958 . . 1 . . . . . . . . 4354 1 1836 . 1 1 299 299 LEU HD21 H 1 0.813 . . 1 . . . . . . . . 4354 1 1837 . 1 1 299 299 LEU HD22 H 1 0.813 . . 1 . . . . . . . . 4354 1 1838 . 1 1 299 299 LEU HD23 H 1 0.813 . . 1 . . . . . . . . 4354 1 1839 . 1 1 299 299 LEU C C 13 177.235 . . 1 . . . . . . . . 4354 1 1840 . 1 1 300 300 GLY N N 15 104.046 . . 1 . . . . . . . . 4354 1 1841 . 1 1 300 300 GLY H H 1 8.122 . . 1 . . . . . . . . 4354 1 1842 . 1 1 300 300 GLY CA C 13 43.755 . . 1 . . . . . . . . 4354 1 1843 . 1 1 300 300 GLY C C 13 173.603 . . 1 . . . . . . . . 4354 1 1844 . 1 1 301 301 ALA N N 15 123.826 . . 1 . . . . . . . . 4354 1 1845 . 1 1 301 301 ALA H H 1 7.507 . . 1 . . . . . . . . 4354 1 1846 . 1 1 301 301 ALA CA C 13 50.852 . . 1 . . . . . . . . 4354 1 1847 . 1 1 301 301 ALA CB C 13 18.783 . . 1 . . . . . . . . 4354 1 1848 . 1 1 301 301 ALA C C 13 177.424 . . 1 . . . . . . . . 4354 1 1849 . 1 1 302 302 VAL N N 15 110.311 . . 1 . . . . . . . . 4354 1 1850 . 1 1 302 302 VAL H H 1 8.155 . . 1 . . . . . . . . 4354 1 1851 . 1 1 302 302 VAL CA C 13 59.056 . . 1 . . . . . . . . 4354 1 1852 . 1 1 302 302 VAL CB C 13 35.021 . . 1 . . . . . . . . 4354 1 1853 . 1 1 302 302 VAL CG2 C 13 18.998 . . 1 . . . . . . . . 4354 1 1854 . 1 1 302 302 VAL HG21 H 1 1.255 . . 1 . . . . . . . . 4354 1 1855 . 1 1 302 302 VAL HG22 H 1 1.255 . . 1 . . . . . . . . 4354 1 1856 . 1 1 302 302 VAL HG23 H 1 1.255 . . 1 . . . . . . . . 4354 1 1857 . 1 1 302 302 VAL CG1 C 13 22.334 . . 1 . . . . . . . . 4354 1 1858 . 1 1 302 302 VAL HG11 H 1 1.069 . . 1 . . . . . . . . 4354 1 1859 . 1 1 302 302 VAL HG12 H 1 1.069 . . 1 . . . . . . . . 4354 1 1860 . 1 1 302 302 VAL HG13 H 1 1.069 . . 1 . . . . . . . . 4354 1 1861 . 1 1 302 302 VAL C C 13 173.421 . . 1 . . . . . . . . 4354 1 1862 . 1 1 303 303 ALA N N 15 117.091 . . 1 . . . . . . . . 4354 1 1863 . 1 1 303 303 ALA H H 1 7.632 . . 1 . . . . . . . . 4354 1 1864 . 1 1 303 303 ALA CA C 13 52.476 . . 1 . . . . . . . . 4354 1 1865 . 1 1 303 303 ALA CB C 13 18.835 . . 1 . . . . . . . . 4354 1 1866 . 1 1 303 303 ALA C C 13 175.512 . . 1 . . . . . . . . 4354 1 1867 . 1 1 304 304 LEU N N 15 114.985 . . 1 . . . . . . . . 4354 1 1868 . 1 1 304 304 LEU H H 1 6.376 . . 1 . . . . . . . . 4354 1 1869 . 1 1 304 304 LEU CA C 13 53.707 . . 1 . . . . . . . . 4354 1 1870 . 1 1 304 304 LEU CB C 13 43.410 . . 1 . . . . . . . . 4354 1 1871 . 1 1 304 304 LEU CG C 13 26.350 . . 1 . . . . . . . . 4354 1 1872 . 1 1 304 304 LEU CD1 C 13 24.317 . . 1 . . . . . . . . 4354 1 1873 . 1 1 304 304 LEU HD11 H 1 0.851 . . 1 . . . . . . . . 4354 1 1874 . 1 1 304 304 LEU HD12 H 1 0.851 . . 1 . . . . . . . . 4354 1 1875 . 1 1 304 304 LEU HD13 H 1 0.851 . . 1 . . . . . . . . 4354 1 1876 . 1 1 304 304 LEU CD2 C 13 26.518 . . 1 . . . . . . . . 4354 1 1877 . 1 1 304 304 LEU HD21 H 1 0.709 . . 1 . . . . . . . . 4354 1 1878 . 1 1 304 304 LEU HD22 H 1 0.709 . . 1 . . . . . . . . 4354 1 1879 . 1 1 304 304 LEU HD23 H 1 0.709 . . 1 . . . . . . . . 4354 1 1880 . 1 1 304 304 LEU C C 13 175.243 . . 1 . . . . . . . . 4354 1 1881 . 1 1 305 305 LYS N N 15 129.375 . . 1 . . . . . . . . 4354 1 1882 . 1 1 305 305 LYS H H 1 8.039 . . 1 . . . . . . . . 4354 1 1883 . 1 1 305 305 LYS CA C 13 59.903 . . 1 . . . . . . . . 4354 1 1884 . 1 1 305 305 LYS CB C 13 31.117 . . 1 . . . . . . . . 4354 1 1885 . 1 1 305 305 LYS C C 13 178.380 . . 1 . . . . . . . . 4354 1 1886 . 1 1 306 306 SER N N 15 112.263 . . 1 . . . . . . . . 4354 1 1887 . 1 1 306 306 SER H H 1 8.724 . . 1 . . . . . . . . 4354 1 1888 . 1 1 306 306 SER CA C 13 60.769 . . 1 . . . . . . . . 4354 1 1889 . 1 1 306 306 SER CB C 13 59.898 . . 1 . . . . . . . . 4354 1 1890 . 1 1 306 306 SER C C 13 176.844 . . 1 . . . . . . . . 4354 1 1891 . 1 1 307 307 TYR N N 15 122.210 . . 1 . . . . . . . . 4354 1 1892 . 1 1 307 307 TYR H H 1 6.631 . . 1 . . . . . . . . 4354 1 1893 . 1 1 307 307 TYR CA C 13 58.500 . . 1 . . . . . . . . 4354 1 1894 . 1 1 307 307 TYR CB C 13 37.974 . . 1 . . . . . . . . 4354 1 1895 . 1 1 307 307 TYR C C 13 177.158 . . 1 . . . . . . . . 4354 1 1896 . 1 1 308 308 GLU N N 15 121.342 . . 1 . . . . . . . . 4354 1 1897 . 1 1 308 308 GLU H H 1 8.489 . . 1 . . . . . . . . 4354 1 1898 . 1 1 308 308 GLU CA C 13 57.378 . . 1 . . . . . . . . 4354 1 1899 . 1 1 308 308 GLU CB C 13 25.262 . . 1 . . . . . . . . 4354 1 1900 . 1 1 308 308 GLU C C 13 177.516 . . 1 . . . . . . . . 4354 1 1901 . 1 1 309 309 GLU N N 15 115.493 . . 1 . . . . . . . . 4354 1 1902 . 1 1 309 309 GLU H H 1 7.731 . . 1 . . . . . . . . 4354 1 1903 . 1 1 309 309 GLU CA C 13 58.621 . . 1 . . . . . . . . 4354 1 1904 . 1 1 309 309 GLU CB C 13 28.376 . . 1 . . . . . . . . 4354 1 1905 . 1 1 309 309 GLU C C 13 178.557 . . 1 . . . . . . . . 4354 1 1906 . 1 1 310 310 GLU N N 15 117.486 . . 1 . . . . . . . . 4354 1 1907 . 1 1 310 310 GLU H H 1 6.873 . . 1 . . . . . . . . 4354 1 1908 . 1 1 310 310 GLU CA C 13 57.250 . . 1 . . . . . . . . 4354 1 1909 . 1 1 310 310 GLU CB C 13 28.590 . . 1 . . . . . . . . 4354 1 1910 . 1 1 310 310 GLU C C 13 178.986 . . 1 . . . . . . . . 4354 1 1911 . 1 1 311 311 LEU N N 15 120.952 . . 1 . . . . . . . . 4354 1 1912 . 1 1 311 311 LEU H H 1 8.220 . . 1 . . . . . . . . 4354 1 1913 . 1 1 311 311 LEU CA C 13 56.538 . . 1 . . . . . . . . 4354 1 1914 . 1 1 311 311 LEU CB C 13 41.201 . . 1 . . . . . . . . 4354 1 1915 . 1 1 311 311 LEU CG C 13 25.116 . . 1 . . . . . . . . 4354 1 1916 . 1 1 311 311 LEU CD1 C 13 26.260 . . 1 . . . . . . . . 4354 1 1917 . 1 1 311 311 LEU HD11 H 1 0.885 . . 1 . . . . . . . . 4354 1 1918 . 1 1 311 311 LEU HD12 H 1 0.885 . . 1 . . . . . . . . 4354 1 1919 . 1 1 311 311 LEU HD13 H 1 0.885 . . 1 . . . . . . . . 4354 1 1920 . 1 1 311 311 LEU CD2 C 13 22.652 . . 1 . . . . . . . . 4354 1 1921 . 1 1 311 311 LEU HD21 H 1 0.797 . . 1 . . . . . . . . 4354 1 1922 . 1 1 311 311 LEU HD22 H 1 0.797 . . 1 . . . . . . . . 4354 1 1923 . 1 1 311 311 LEU HD23 H 1 0.797 . . 1 . . . . . . . . 4354 1 1924 . 1 1 311 311 LEU C C 13 179.366 . . 1 . . . . . . . . 4354 1 1925 . 1 1 312 312 ALA N N 15 117.952 . . 1 . . . . . . . . 4354 1 1926 . 1 1 312 312 ALA H H 1 8.553 . . 1 . . . . . . . . 4354 1 1927 . 1 1 312 312 ALA CA C 13 53.394 . . 1 . . . . . . . . 4354 1 1928 . 1 1 312 312 ALA CB C 13 16.431 . . 1 . . . . . . . . 4354 1 1929 . 1 1 312 312 ALA C C 13 176.426 . . 1 . . . . . . . . 4354 1 1930 . 1 1 313 313 LYS N N 15 117.329 . . 1 . . . . . . . . 4354 1 1931 . 1 1 313 313 LYS H H 1 7.093 . . 1 . . . . . . . . 4354 1 1932 . 1 1 313 313 LYS CA C 13 58.223 . . 1 . . . . . . . . 4354 1 1933 . 1 1 313 313 LYS CB C 13 31.219 . . 1 . . . . . . . . 4354 1 1934 . 1 1 313 313 LYS C C 13 177.861 . . 1 . . . . . . . . 4354 1 1935 . 1 1 314 314 ASP N N 15 121.198 . . 1 . . . . . . . . 4354 1 1936 . 1 1 314 314 ASP H H 1 8.286 . . 1 . . . . . . . . 4354 1 1937 . 1 1 314 314 ASP CA C 13 49.986 . . 1 . . . . . . . . 4354 1 1938 . 1 1 314 314 ASP CB C 13 40.789 . . 1 . . . . . . . . 4354 1 1939 . 1 1 315 315 PRO CA C 13 63.857 . . 1 . . . . . . . . 4354 1 1940 . 1 1 315 315 PRO CB C 13 31.505 . . 1 . . . . . . . . 4354 1 1941 . 1 1 315 315 PRO C C 13 178.908 . . 1 . . . . . . . . 4354 1 1942 . 1 1 316 316 ARG N N 15 116.863 . . 1 . . . . . . . . 4354 1 1943 . 1 1 316 316 ARG H H 1 8.437 . . 1 . . . . . . . . 4354 1 1944 . 1 1 316 316 ARG CA C 13 57.839 . . 1 . . . . . . . . 4354 1 1945 . 1 1 316 316 ARG CB C 13 28.780 . . 1 . . . . . . . . 4354 1 1946 . 1 1 316 316 ARG C C 13 179.565 . . 1 . . . . . . . . 4354 1 1947 . 1 1 317 317 ILE N N 15 122.900 . . 1 . . . . . . . . 4354 1 1948 . 1 1 317 317 ILE H H 1 7.525 . . 1 . . . . . . . . 4354 1 1949 . 1 1 317 317 ILE CA C 13 63.909 . . 1 . . . . . . . . 4354 1 1950 . 1 1 317 317 ILE CB C 13 35.813 . . 1 . . . . . . . . 4354 1 1951 . 1 1 317 317 ILE CG1 C 13 28.858 . . 1 . . . . . . . . 4354 1 1952 . 1 1 317 317 ILE CD1 C 13 12.540 . . 1 . . . . . . . . 4354 1 1953 . 1 1 317 317 ILE HD11 H 1 1.105 . . 1 . . . . . . . . 4354 1 1954 . 1 1 317 317 ILE HD12 H 1 1.105 . . 1 . . . . . . . . 4354 1 1955 . 1 1 317 317 ILE HD13 H 1 1.105 . . 1 . . . . . . . . 4354 1 1956 . 1 1 317 317 ILE CG2 C 13 17.182 . . 1 . . . . . . . . 4354 1 1957 . 1 1 317 317 ILE HG21 H 1 0.934 . . 1 . . . . . . . . 4354 1 1958 . 1 1 317 317 ILE HG22 H 1 0.934 . . 1 . . . . . . . . 4354 1 1959 . 1 1 317 317 ILE HG23 H 1 0.934 . . 1 . . . . . . . . 4354 1 1960 . 1 1 317 317 ILE C C 13 177.724 . . 1 . . . . . . . . 4354 1 1961 . 1 1 318 318 ALA N N 15 122.557 . . 1 . . . . . . . . 4354 1 1962 . 1 1 318 318 ALA H H 1 7.852 . . 1 . . . . . . . . 4354 1 1963 . 1 1 318 318 ALA CA C 13 55.214 . . 1 . . . . . . . . 4354 1 1964 . 1 1 318 318 ALA CB C 13 16.685 . . 1 . . . . . . . . 4354 1 1965 . 1 1 318 318 ALA C C 13 181.043 . . 1 . . . . . . . . 4354 1 1966 . 1 1 319 319 ALA N N 15 118.673 . . 1 . . . . . . . . 4354 1 1967 . 1 1 319 319 ALA H H 1 8.128 . . 1 . . . . . . . . 4354 1 1968 . 1 1 319 319 ALA CA C 13 54.581 . . 1 . . . . . . . . 4354 1 1969 . 1 1 319 319 ALA CB C 13 17.315 . . 1 . . . . . . . . 4354 1 1970 . 1 1 319 319 ALA C C 13 178.611 . . 1 . . . . . . . . 4354 1 1971 . 1 1 320 320 THR N N 15 114.749 . . 1 . . . . . . . . 4354 1 1972 . 1 1 320 320 THR H H 1 7.335 . . 1 . . . . . . . . 4354 1 1973 . 1 1 320 320 THR CA C 13 67.440 . . 1 . . . . . . . . 4354 1 1974 . 1 1 320 320 THR CB C 13 68.246 . . 1 . . . . . . . . 4354 1 1975 . 1 1 320 320 THR C C 13 175.140 . . 1 . . . . . . . . 4354 1 1976 . 1 1 321 321 MET N N 15 119.303 . . 1 . . . . . . . . 4354 1 1977 . 1 1 321 321 MET H H 1 8.149 . . 1 . . . . . . . . 4354 1 1978 . 1 1 321 321 MET CA C 13 56.472 . . 1 . . . . . . . . 4354 1 1979 . 1 1 321 321 MET CB C 13 30.778 . . 1 . . . . . . . . 4354 1 1980 . 1 1 321 321 MET C C 13 177.117 . . 1 . . . . . . . . 4354 1 1981 . 1 1 322 322 GLU N N 15 121.370 . . 1 . . . . . . . . 4354 1 1982 . 1 1 322 322 GLU H H 1 8.227 . . 1 . . . . . . . . 4354 1 1983 . 1 1 322 322 GLU CA C 13 59.277 . . 1 . . . . . . . . 4354 1 1984 . 1 1 322 322 GLU CB C 13 28.255 . . 1 . . . . . . . . 4354 1 1985 . 1 1 322 322 GLU C C 13 179.193 . . 1 . . . . . . . . 4354 1 1986 . 1 1 323 323 ASN N N 15 115.223 . . 1 . . . . . . . . 4354 1 1987 . 1 1 323 323 ASN H H 1 8.282 . . 1 . . . . . . . . 4354 1 1988 . 1 1 323 323 ASN CA C 13 56.298 . . 1 . . . . . . . . 4354 1 1989 . 1 1 323 323 ASN CB C 13 38.599 . . 1 . . . . . . . . 4354 1 1990 . 1 1 323 323 ASN C C 13 176.781 . . 1 . . . . . . . . 4354 1 1991 . 1 1 324 324 ALA N N 15 119.661 . . 1 . . . . . . . . 4354 1 1992 . 1 1 324 324 ALA H H 1 8.085 . . 1 . . . . . . . . 4354 1 1993 . 1 1 324 324 ALA CA C 13 53.809 . . 1 . . . . . . . . 4354 1 1994 . 1 1 324 324 ALA CB C 13 17.060 . . 1 . . . . . . . . 4354 1 1995 . 1 1 324 324 ALA C C 13 179.956 . . 1 . . . . . . . . 4354 1 1996 . 1 1 325 325 GLN N N 15 116.198 . . 1 . . . . . . . . 4354 1 1997 . 1 1 325 325 GLN H H 1 8.239 . . 1 . . . . . . . . 4354 1 1998 . 1 1 325 325 GLN CA C 13 57.729 . . 1 . . . . . . . . 4354 1 1999 . 1 1 325 325 GLN CB C 13 27.390 . . 1 . . . . . . . . 4354 1 2000 . 1 1 325 325 GLN C C 13 177.506 . . 1 . . . . . . . . 4354 1 2001 . 1 1 326 326 LYS N N 15 117.718 . . 1 . . . . . . . . 4354 1 2002 . 1 1 326 326 LYS H H 1 7.049 . . 1 . . . . . . . . 4354 1 2003 . 1 1 326 326 LYS CA C 13 55.518 . . 1 . . . . . . . . 4354 1 2004 . 1 1 326 326 LYS CB C 13 32.080 . . 1 . . . . . . . . 4354 1 2005 . 1 1 326 326 LYS C C 13 175.911 . . 1 . . . . . . . . 4354 1 2006 . 1 1 327 327 GLY N N 15 106.356 . . 1 . . . . . . . . 4354 1 2007 . 1 1 327 327 GLY H H 1 7.243 . . 1 . . . . . . . . 4354 1 2008 . 1 1 327 327 GLY CA C 13 44.032 . . 1 . . . . . . . . 4354 1 2009 . 1 1 327 327 GLY C C 13 172.326 . . 1 . . . . . . . . 4354 1 2010 . 1 1 328 328 GLU N N 15 121.715 . . 1 . . . . . . . . 4354 1 2011 . 1 1 328 328 GLU H H 1 8.516 . . 1 . . . . . . . . 4354 1 2012 . 1 1 328 328 GLU CA C 13 53.337 . . 1 . . . . . . . . 4354 1 2013 . 1 1 328 328 GLU CB C 13 32.240 . . 1 . . . . . . . . 4354 1 2014 . 1 1 328 328 GLU C C 13 176.471 . . 1 . . . . . . . . 4354 1 2015 . 1 1 329 329 ILE N N 15 127.878 . . 1 . . . . . . . . 4354 1 2016 . 1 1 329 329 ILE H H 1 9.159 . . 1 . . . . . . . . 4354 1 2017 . 1 1 329 329 ILE CA C 13 61.680 . . 1 . . . . . . . . 4354 1 2018 . 1 1 329 329 ILE CB C 13 37.141 . . 1 . . . . . . . . 4354 1 2019 . 1 1 329 329 ILE CG1 C 13 26.858 . . 1 . . . . . . . . 4354 1 2020 . 1 1 329 329 ILE CD1 C 13 12.343 . . 1 . . . . . . . . 4354 1 2021 . 1 1 329 329 ILE HD11 H 1 0.821 . . 1 . . . . . . . . 4354 1 2022 . 1 1 329 329 ILE HD12 H 1 0.821 . . 1 . . . . . . . . 4354 1 2023 . 1 1 329 329 ILE HD13 H 1 0.821 . . 1 . . . . . . . . 4354 1 2024 . 1 1 329 329 ILE CG2 C 13 16.745 . . 1 . . . . . . . . 4354 1 2025 . 1 1 329 329 ILE HG21 H 1 0.808 . . 1 . . . . . . . . 4354 1 2026 . 1 1 329 329 ILE HG22 H 1 0.808 . . 1 . . . . . . . . 4354 1 2027 . 1 1 329 329 ILE HG23 H 1 0.808 . . 1 . . . . . . . . 4354 1 2028 . 1 1 329 329 ILE C C 13 177.934 . . 1 . . . . . . . . 4354 1 2029 . 1 1 330 330 MET N N 15 124.939 . . 1 . . . . . . . . 4354 1 2030 . 1 1 330 330 MET H H 1 8.478 . . 1 . . . . . . . . 4354 1 2031 . 1 1 330 330 MET CA C 13 55.904 . . 1 . . . . . . . . 4354 1 2032 . 1 1 330 330 MET CB C 13 33.770 . . 1 . . . . . . . . 4354 1 2033 . 1 1 331 331 PRO CA C 13 62.962 . . 1 . . . . . . . . 4354 1 2034 . 1 1 331 331 PRO CB C 13 30.584 . . 1 . . . . . . . . 4354 1 2035 . 1 1 331 331 PRO C C 13 175.164 . . 1 . . . . . . . . 4354 1 2036 . 1 1 332 332 ASN N N 15 118.144 . . 1 . . . . . . . . 4354 1 2037 . 1 1 332 332 ASN H H 1 7.588 . . 1 . . . . . . . . 4354 1 2038 . 1 1 332 332 ASN CA C 13 50.931 . . 1 . . . . . . . . 4354 1 2039 . 1 1 332 332 ASN CB C 13 37.799 . . 1 . . . . . . . . 4354 1 2040 . 1 1 332 332 ASN C C 13 175.369 . . 1 . . . . . . . . 4354 1 2041 . 1 1 333 333 ILE N N 15 108.496 . . 1 . . . . . . . . 4354 1 2042 . 1 1 333 333 ILE H H 1 6.371 . . 1 . . . . . . . . 4354 1 2043 . 1 1 333 333 ILE CA C 13 58.955 . . 1 . . . . . . . . 4354 1 2044 . 1 1 333 333 ILE CB C 13 36.027 . . 1 . . . . . . . . 4354 1 2045 . 1 1 333 333 ILE CG1 C 13 24.616 . . 1 . . . . . . . . 4354 1 2046 . 1 1 333 333 ILE CD1 C 13 12.276 . . 1 . . . . . . . . 4354 1 2047 . 1 1 333 333 ILE HD11 H 1 -0.149 . . 1 . . . . . . . . 4354 1 2048 . 1 1 333 333 ILE HD12 H 1 -0.149 . . 1 . . . . . . . . 4354 1 2049 . 1 1 333 333 ILE HD13 H 1 -0.149 . . 1 . . . . . . . . 4354 1 2050 . 1 1 333 333 ILE CG2 C 13 19.035 . . 1 . . . . . . . . 4354 1 2051 . 1 1 333 333 ILE HG21 H 1 1.147 . . 1 . . . . . . . . 4354 1 2052 . 1 1 333 333 ILE HG22 H 1 1.147 . . 1 . . . . . . . . 4354 1 2053 . 1 1 333 333 ILE HG23 H 1 1.147 . . 1 . . . . . . . . 4354 1 2054 . 1 1 334 334 PRO CA C 13 64.813 . . 1 . . . . . . . . 4354 1 2055 . 1 1 334 334 PRO CB C 13 30.706 . . 1 . . . . . . . . 4354 1 2056 . 1 1 334 334 PRO C C 13 178.493 . . 1 . . . . . . . . 4354 1 2057 . 1 1 335 335 GLN N N 15 116.455 . . 1 . . . . . . . . 4354 1 2058 . 1 1 335 335 GLN H H 1 8.346 . . 1 . . . . . . . . 4354 1 2059 . 1 1 335 335 GLN CA C 13 58.793 . . 1 . . . . . . . . 4354 1 2060 . 1 1 335 335 GLN CB C 13 25.838 . . 1 . . . . . . . . 4354 1 2061 . 1 1 335 335 GLN C C 13 176.798 . . 1 . . . . . . . . 4354 1 2062 . 1 1 336 336 MET N N 15 118.366 . . 1 . . . . . . . . 4354 1 2063 . 1 1 336 336 MET H H 1 7.832 . . 1 . . . . . . . . 4354 1 2064 . 1 1 336 336 MET CA C 13 55.427 . . 1 . . . . . . . . 4354 1 2065 . 1 1 336 336 MET CB C 13 29.682 . . 1 . . . . . . . . 4354 1 2066 . 1 1 337 337 SER C C 13 176.973 . . 1 . . . . . . . . 4354 1 2067 . 1 1 338 338 ALA N N 15 122.929 . . 1 . . . . . . . . 4354 1 2068 . 1 1 338 338 ALA H H 1 7.345 . . 1 . . . . . . . . 4354 1 2069 . 1 1 338 338 ALA CA C 13 54.016 . . 1 . . . . . . . . 4354 1 2070 . 1 1 338 338 ALA CB C 13 17.967 . . 1 . . . . . . . . 4354 1 2071 . 1 1 338 338 ALA C C 13 179.737 . . 1 . . . . . . . . 4354 1 2072 . 1 1 339 339 PHE N N 15 118.840 . . 1 . . . . . . . . 4354 1 2073 . 1 1 339 339 PHE H H 1 7.514 . . 1 . . . . . . . . 4354 1 2074 . 1 1 339 339 PHE CA C 13 61.159 . . 1 . . . . . . . . 4354 1 2075 . 1 1 339 339 PHE CB C 13 38.326 . . 1 . . . . . . . . 4354 1 2076 . 1 1 339 339 PHE C C 13 176.317 . . 1 . . . . . . . . 4354 1 2077 . 1 1 340 340 TRP N N 15 118.018 . . 1 . . . . . . . . 4354 1 2078 . 1 1 340 340 TRP H H 1 8.769 . . 1 . . . . . . . . 4354 1 2079 . 1 1 340 340 TRP CA C 13 59.384 . . 1 . . . . . . . . 4354 1 2080 . 1 1 340 340 TRP CB C 13 29.719 . . 1 . . . . . . . . 4354 1 2081 . 1 1 340 340 TRP C C 13 178.773 . . 1 . . . . . . . . 4354 1 2082 . 1 1 341 341 TYR N N 15 114.622 . . 1 . . . . . . . . 4354 1 2083 . 1 1 341 341 TYR H H 1 7.426 . . 1 . . . . . . . . 4354 1 2084 . 1 1 341 341 TYR CA C 13 60.795 . . 1 . . . . . . . . 4354 1 2085 . 1 1 341 341 TYR CB C 13 37.800 . . 1 . . . . . . . . 4354 1 2086 . 1 1 341 341 TYR C C 13 178.355 . . 1 . . . . . . . . 4354 1 2087 . 1 1 342 342 ALA N N 15 121.845 . . 1 . . . . . . . . 4354 1 2088 . 1 1 342 342 ALA H H 1 8.420 . . 1 . . . . . . . . 4354 1 2089 . 1 1 342 342 ALA CA C 13 54.277 . . 1 . . . . . . . . 4354 1 2090 . 1 1 342 342 ALA CB C 13 18.480 . . 1 . . . . . . . . 4354 1 2091 . 1 1 342 342 ALA C C 13 180.594 . . 1 . . . . . . . . 4354 1 2092 . 1 1 343 343 VAL N N 15 118.415 . . 1 . . . . . . . . 4354 1 2093 . 1 1 343 343 VAL H H 1 8.658 . . 1 . . . . . . . . 4354 1 2094 . 1 1 343 343 VAL CA C 13 66.381 . . 1 . . . . . . . . 4354 1 2095 . 1 1 343 343 VAL CB C 13 30.458 . . 1 . . . . . . . . 4354 1 2096 . 1 1 343 343 VAL CG2 C 13 23.254 . . 1 . . . . . . . . 4354 1 2097 . 1 1 343 343 VAL HG21 H 1 0.144 . . 1 . . . . . . . . 4354 1 2098 . 1 1 343 343 VAL HG22 H 1 0.144 . . 1 . . . . . . . . 4354 1 2099 . 1 1 343 343 VAL HG23 H 1 0.144 . . 1 . . . . . . . . 4354 1 2100 . 1 1 343 343 VAL CG1 C 13 21.260 . . 1 . . . . . . . . 4354 1 2101 . 1 1 343 343 VAL HG11 H 1 0.856 . . 1 . . . . . . . . 4354 1 2102 . 1 1 343 343 VAL HG12 H 1 0.856 . . 1 . . . . . . . . 4354 1 2103 . 1 1 343 343 VAL HG13 H 1 0.856 . . 1 . . . . . . . . 4354 1 2104 . 1 1 343 343 VAL C C 13 176.827 . . 1 . . . . . . . . 4354 1 2105 . 1 1 344 344 ARG N N 15 120.776 . . 1 . . . . . . . . 4354 1 2106 . 1 1 344 344 ARG H H 1 8.105 . . 1 . . . . . . . . 4354 1 2107 . 1 1 344 344 ARG CA C 13 59.662 . . 1 . . . . . . . . 4354 1 2108 . 1 1 344 344 ARG CB C 13 29.312 . . 1 . . . . . . . . 4354 1 2109 . 1 1 344 344 ARG C C 13 178.217 . . 1 . . . . . . . . 4354 1 2110 . 1 1 345 345 THR N N 15 113.591 . . 1 . . . . . . . . 4354 1 2111 . 1 1 345 345 THR H H 1 7.524 . . 1 . . . . . . . . 4354 1 2112 . 1 1 345 345 THR CA C 13 65.852 . . 1 . . . . . . . . 4354 1 2113 . 1 1 345 345 THR CB C 13 68.619 . . 1 . . . . . . . . 4354 1 2114 . 1 1 345 345 THR C C 13 174.836 . . 1 . . . . . . . . 4354 1 2115 . 1 1 346 346 ALA N N 15 122.839 . . 1 . . . . . . . . 4354 1 2116 . 1 1 346 346 ALA H H 1 7.785 . . 1 . . . . . . . . 4354 1 2117 . 1 1 346 346 ALA CA C 13 54.851 . . 1 . . . . . . . . 4354 1 2118 . 1 1 346 346 ALA CB C 13 18.046 . . 1 . . . . . . . . 4354 1 2119 . 1 1 346 346 ALA C C 13 178.931 . . 1 . . . . . . . . 4354 1 2120 . 1 1 347 347 VAL N N 15 115.898 . . 1 . . . . . . . . 4354 1 2121 . 1 1 347 347 VAL H H 1 8.139 . . 1 . . . . . . . . 4354 1 2122 . 1 1 347 347 VAL CA C 13 66.910 . . 1 . . . . . . . . 4354 1 2123 . 1 1 347 347 VAL CB C 13 30.836 . . 1 . . . . . . . . 4354 1 2124 . 1 1 347 347 VAL CG2 C 13 22.336 . . 1 . . . . . . . . 4354 1 2125 . 1 1 347 347 VAL HG21 H 1 1.048 . . 1 . . . . . . . . 4354 1 2126 . 1 1 347 347 VAL HG22 H 1 1.048 . . 1 . . . . . . . . 4354 1 2127 . 1 1 347 347 VAL HG23 H 1 1.048 . . 1 . . . . . . . . 4354 1 2128 . 1 1 347 347 VAL CG1 C 13 20.517 . . 1 . . . . . . . . 4354 1 2129 . 1 1 347 347 VAL HG11 H 1 0.925 . . 1 . . . . . . . . 4354 1 2130 . 1 1 347 347 VAL HG12 H 1 0.925 . . 1 . . . . . . . . 4354 1 2131 . 1 1 347 347 VAL HG13 H 1 0.925 . . 1 . . . . . . . . 4354 1 2132 . 1 1 347 347 VAL C C 13 177.752 . . 1 . . . . . . . . 4354 1 2133 . 1 1 348 348 ILE N N 15 118.315 . . 1 . . . . . . . . 4354 1 2134 . 1 1 348 348 ILE H H 1 7.759 . . 1 . . . . . . . . 4354 1 2135 . 1 1 348 348 ILE CA C 13 64.275 . . 1 . . . . . . . . 4354 1 2136 . 1 1 348 348 ILE CB C 13 36.802 . . 1 . . . . . . . . 4354 1 2137 . 1 1 348 348 ILE CG1 C 13 28.625 . . 1 . . . . . . . . 4354 1 2138 . 1 1 348 348 ILE CD1 C 13 13.073 . . 1 . . . . . . . . 4354 1 2139 . 1 1 348 348 ILE HD11 H 1 0.872 . . 1 . . . . . . . . 4354 1 2140 . 1 1 348 348 ILE HD12 H 1 0.872 . . 1 . . . . . . . . 4354 1 2141 . 1 1 348 348 ILE HD13 H 1 0.872 . . 1 . . . . . . . . 4354 1 2142 . 1 1 348 348 ILE CG2 C 13 16.235 . . 1 . . . . . . . . 4354 1 2143 . 1 1 348 348 ILE HG21 H 1 0.908 . . 1 . . . . . . . . 4354 1 2144 . 1 1 348 348 ILE HG22 H 1 0.908 . . 1 . . . . . . . . 4354 1 2145 . 1 1 348 348 ILE HG23 H 1 0.908 . . 1 . . . . . . . . 4354 1 2146 . 1 1 348 348 ILE C C 13 180.023 . . 1 . . . . . . . . 4354 1 2147 . 1 1 349 349 ASN N N 15 121.044 . . 1 . . . . . . . . 4354 1 2148 . 1 1 349 349 ASN H H 1 8.807 . . 1 . . . . . . . . 4354 1 2149 . 1 1 349 349 ASN CA C 13 55.254 . . 1 . . . . . . . . 4354 1 2150 . 1 1 349 349 ASN CB C 13 36.542 . . 1 . . . . . . . . 4354 1 2151 . 1 1 349 349 ASN C C 13 177.771 . . 1 . . . . . . . . 4354 1 2152 . 1 1 350 350 ALA N N 15 122.692 . . 1 . . . . . . . . 4354 1 2153 . 1 1 350 350 ALA H H 1 8.500 . . 1 . . . . . . . . 4354 1 2154 . 1 1 350 350 ALA CA C 13 53.372 . . 1 . . . . . . . . 4354 1 2155 . 1 1 350 350 ALA CB C 13 17.287 . . 1 . . . . . . . . 4354 1 2156 . 1 1 350 350 ALA C C 13 180.861 . . 1 . . . . . . . . 4354 1 2157 . 1 1 351 351 ALA N N 15 120.994 . . 1 . . . . . . . . 4354 1 2158 . 1 1 351 351 ALA H H 1 9.141 . . 1 . . . . . . . . 4354 1 2159 . 1 1 351 351 ALA CA C 13 54.926 . . 1 . . . . . . . . 4354 1 2160 . 1 1 351 351 ALA CB C 13 17.333 . . 1 . . . . . . . . 4354 1 2161 . 1 1 351 351 ALA C C 13 178.034 . . 1 . . . . . . . . 4354 1 2162 . 1 1 352 352 SER N N 15 107.885 . . 1 . . . . . . . . 4354 1 2163 . 1 1 352 352 SER H H 1 7.875 . . 1 . . . . . . . . 4354 1 2164 . 1 1 352 352 SER CA C 13 58.284 . . 1 . . . . . . . . 4354 1 2165 . 1 1 352 352 SER CB C 13 63.746 . . 1 . . . . . . . . 4354 1 2166 . 1 1 352 352 SER C C 13 175.453 . . 1 . . . . . . . . 4354 1 2167 . 1 1 353 353 GLY N N 15 109.757 . . 1 . . . . . . . . 4354 1 2168 . 1 1 353 353 GLY H H 1 7.606 . . 1 . . . . . . . . 4354 1 2169 . 1 1 353 353 GLY CA C 13 45.132 . . 1 . . . . . . . . 4354 1 2170 . 1 1 353 353 GLY C C 13 174.286 . . 1 . . . . . . . . 4354 1 2171 . 1 1 354 354 ARG N N 15 121.015 . . 1 . . . . . . . . 4354 1 2172 . 1 1 354 354 ARG H H 1 8.212 . . 1 . . . . . . . . 4354 1 2173 . 1 1 354 354 ARG CA C 13 57.844 . . 1 . . . . . . . . 4354 1 2174 . 1 1 354 354 ARG CB C 13 30.120 . . 1 . . . . . . . . 4354 1 2175 . 1 1 354 354 ARG C C 13 176.562 . . 1 . . . . . . . . 4354 1 2176 . 1 1 355 355 GLN N N 15 113.570 . . 1 . . . . . . . . 4354 1 2177 . 1 1 355 355 GLN H H 1 7.322 . . 1 . . . . . . . . 4354 1 2178 . 1 1 355 355 GLN CA C 13 53.621 . . 1 . . . . . . . . 4354 1 2179 . 1 1 355 355 GLN CB C 13 35.713 . . 1 . . . . . . . . 4354 1 2180 . 1 1 355 355 GLN C C 13 175.820 . . 1 . . . . . . . . 4354 1 2181 . 1 1 356 356 THR N N 15 111.703 . . 1 . . . . . . . . 4354 1 2182 . 1 1 356 356 THR H H 1 8.550 . . 1 . . . . . . . . 4354 1 2183 . 1 1 356 356 THR CA C 13 60.768 . . 1 . . . . . . . . 4354 1 2184 . 1 1 356 356 THR CB C 13 69.900 . . 1 . . . . . . . . 4354 1 2185 . 1 1 356 356 THR C C 13 174.686 . . 1 . . . . . . . . 4354 1 2186 . 1 1 357 357 VAL N N 15 121.298 . . 1 . . . . . . . . 4354 1 2187 . 1 1 357 357 VAL H H 1 8.710 . . 1 . . . . . . . . 4354 1 2188 . 1 1 357 357 VAL CA C 13 67.294 . . 1 . . . . . . . . 4354 1 2189 . 1 1 357 357 VAL CB C 13 31.000 . . 1 . . . . . . . . 4354 1 2190 . 1 1 357 357 VAL CG2 C 13 23.411 . . 1 . . . . . . . . 4354 1 2191 . 1 1 357 357 VAL HG21 H 1 1.052 . . 1 . . . . . . . . 4354 1 2192 . 1 1 357 357 VAL HG22 H 1 1.052 . . 1 . . . . . . . . 4354 1 2193 . 1 1 357 357 VAL HG23 H 1 1.052 . . 1 . . . . . . . . 4354 1 2194 . 1 1 357 357 VAL CG1 C 13 21.315 . . 1 . . . . . . . . 4354 1 2195 . 1 1 357 357 VAL HG11 H 1 0.991 . . 1 . . . . . . . . 4354 1 2196 . 1 1 357 357 VAL HG12 H 1 0.991 . . 1 . . . . . . . . 4354 1 2197 . 1 1 357 357 VAL HG13 H 1 0.991 . . 1 . . . . . . . . 4354 1 2198 . 1 1 357 357 VAL C C 13 176.887 . . 1 . . . . . . . . 4354 1 2199 . 1 1 358 358 ASP N N 15 115.119 . . 1 . . . . . . . . 4354 1 2200 . 1 1 358 358 ASP H H 1 8.101 . . 1 . . . . . . . . 4354 1 2201 . 1 1 358 358 ASP CA C 13 57.032 . . 1 . . . . . . . . 4354 1 2202 . 1 1 358 358 ASP CB C 13 40.286 . . 1 . . . . . . . . 4354 1 2203 . 1 1 358 358 ASP C C 13 178.645 . . 1 . . . . . . . . 4354 1 2204 . 1 1 359 359 GLU N N 15 118.602 . . 1 . . . . . . . . 4354 1 2205 . 1 1 359 359 GLU H H 1 7.587 . . 1 . . . . . . . . 4354 1 2206 . 1 1 359 359 GLU CA C 13 58.188 . . 1 . . . . . . . . 4354 1 2207 . 1 1 359 359 GLU CB C 13 29.515 . . 1 . . . . . . . . 4354 1 2208 . 1 1 359 359 GLU C C 13 178.344 . . 1 . . . . . . . . 4354 1 2209 . 1 1 360 360 ALA N N 15 121.458 . . 1 . . . . . . . . 4354 1 2210 . 1 1 360 360 ALA H H 1 8.681 . . 1 . . . . . . . . 4354 1 2211 . 1 1 360 360 ALA CA C 13 54.209 . . 1 . . . . . . . . 4354 1 2212 . 1 1 360 360 ALA CB C 13 17.674 . . 1 . . . . . . . . 4354 1 2213 . 1 1 360 360 ALA C C 13 181.257 . . 1 . . . . . . . . 4354 1 2214 . 1 1 361 361 LEU N N 15 116.148 . . 1 . . . . . . . . 4354 1 2215 . 1 1 361 361 LEU H H 1 8.059 . . 1 . . . . . . . . 4354 1 2216 . 1 1 361 361 LEU CA C 13 56.834 . . 1 . . . . . . . . 4354 1 2217 . 1 1 361 361 LEU CB C 13 39.193 . . 1 . . . . . . . . 4354 1 2218 . 1 1 361 361 LEU CG C 13 26.006 . . 1 . . . . . . . . 4354 1 2219 . 1 1 361 361 LEU CD1 C 13 25.226 . . 1 . . . . . . . . 4354 1 2220 . 1 1 361 361 LEU HD11 H 1 0.895 . . 1 . . . . . . . . 4354 1 2221 . 1 1 361 361 LEU HD12 H 1 0.895 . . 1 . . . . . . . . 4354 1 2222 . 1 1 361 361 LEU HD13 H 1 0.895 . . 1 . . . . . . . . 4354 1 2223 . 1 1 361 361 LEU CD2 C 13 19.591 . . 1 . . . . . . . . 4354 1 2224 . 1 1 361 361 LEU HD21 H 1 0.722 . . 1 . . . . . . . . 4354 1 2225 . 1 1 361 361 LEU HD22 H 1 0.722 . . 1 . . . . . . . . 4354 1 2226 . 1 1 361 361 LEU HD23 H 1 0.722 . . 1 . . . . . . . . 4354 1 2227 . 1 1 361 361 LEU C C 13 178.651 . . 1 . . . . . . . . 4354 1 2228 . 1 1 362 362 LYS N N 15 121.483 . . 1 . . . . . . . . 4354 1 2229 . 1 1 362 362 LYS H H 1 7.680 . . 1 . . . . . . . . 4354 1 2230 . 1 1 362 362 LYS CA C 13 59.136 . . 1 . . . . . . . . 4354 1 2231 . 1 1 362 362 LYS CB C 13 30.889 . . 1 . . . . . . . . 4354 1 2232 . 1 1 362 362 LYS C C 13 179.626 . . 1 . . . . . . . . 4354 1 2233 . 1 1 363 363 ASP N N 15 120.033 . . 1 . . . . . . . . 4354 1 2234 . 1 1 363 363 ASP H H 1 8.132 . . 1 . . . . . . . . 4354 1 2235 . 1 1 363 363 ASP CA C 13 56.640 . . 1 . . . . . . . . 4354 1 2236 . 1 1 363 363 ASP CB C 13 39.818 . . 1 . . . . . . . . 4354 1 2237 . 1 1 363 363 ASP C C 13 178.639 . . 1 . . . . . . . . 4354 1 2238 . 1 1 364 364 ALA N N 15 121.232 . . 1 . . . . . . . . 4354 1 2239 . 1 1 364 364 ALA H H 1 7.727 . . 1 . . . . . . . . 4354 1 2240 . 1 1 364 364 ALA CA C 13 54.656 . . 1 . . . . . . . . 4354 1 2241 . 1 1 364 364 ALA CB C 13 17.130 . . 1 . . . . . . . . 4354 1 2242 . 1 1 364 364 ALA C C 13 178.152 . . 1 . . . . . . . . 4354 1 2243 . 1 1 365 365 GLN N N 15 118.119 . . 1 . . . . . . . . 4354 1 2244 . 1 1 365 365 GLN H H 1 8.230 . . 1 . . . . . . . . 4354 1 2245 . 1 1 365 365 GLN CA C 13 59.731 . . 1 . . . . . . . . 4354 1 2246 . 1 1 365 365 GLN CB C 13 26.723 . . 1 . . . . . . . . 4354 1 2247 . 1 1 365 365 GLN C C 13 179.014 . . 1 . . . . . . . . 4354 1 2248 . 1 1 366 366 THR N N 15 115.203 . . 1 . . . . . . . . 4354 1 2249 . 1 1 366 366 THR H H 1 8.143 . . 1 . . . . . . . . 4354 1 2250 . 1 1 366 366 THR CA C 13 65.512 . . 1 . . . . . . . . 4354 1 2251 . 1 1 366 366 THR CB C 13 68.352 . . 1 . . . . . . . . 4354 1 2252 . 1 1 366 366 THR C C 13 175.698 . . 1 . . . . . . . . 4354 1 2253 . 1 1 367 367 ARG N N 15 120.044 . . 1 . . . . . . . . 4354 1 2254 . 1 1 367 367 ARG H H 1 7.951 . . 1 . . . . . . . . 4354 1 2255 . 1 1 367 367 ARG CA C 13 58.231 . . 1 . . . . . . . . 4354 1 2256 . 1 1 367 367 ARG CB C 13 29.202 . . 1 . . . . . . . . 4354 1 2257 . 1 1 367 367 ARG C C 13 178.453 . . 1 . . . . . . . . 4354 1 2258 . 1 1 368 368 ILE N N 15 117.302 . . 1 . . . . . . . . 4354 1 2259 . 1 1 368 368 ILE H H 1 7.986 . . 1 . . . . . . . . 4354 1 2260 . 1 1 368 368 ILE CA C 13 64.271 . . 1 . . . . . . . . 4354 1 2261 . 1 1 368 368 ILE CB C 13 38.073 . . 1 . . . . . . . . 4354 1 2262 . 1 1 368 368 ILE CG1 C 13 28.350 . . 1 . . . . . . . . 4354 1 2263 . 1 1 368 368 ILE CD1 C 13 15.275 . . 1 . . . . . . . . 4354 1 2264 . 1 1 368 368 ILE HD11 H 1 0.684 . . 1 . . . . . . . . 4354 1 2265 . 1 1 368 368 ILE HD12 H 1 0.684 . . 1 . . . . . . . . 4354 1 2266 . 1 1 368 368 ILE HD13 H 1 0.684 . . 1 . . . . . . . . 4354 1 2267 . 1 1 368 368 ILE CG2 C 13 19.304 . . 1 . . . . . . . . 4354 1 2268 . 1 1 368 368 ILE HG21 H 1 1.023 . . 1 . . . . . . . . 4354 1 2269 . 1 1 368 368 ILE HG22 H 1 1.023 . . 1 . . . . . . . . 4354 1 2270 . 1 1 368 368 ILE HG23 H 1 1.023 . . 1 . . . . . . . . 4354 1 2271 . 1 1 368 368 ILE C C 13 176.912 . . 1 . . . . . . . . 4354 1 2272 . 1 1 369 369 THR N N 15 107.071 . . 1 . . . . . . . . 4354 1 2273 . 1 1 369 369 THR H H 1 7.629 . . 1 . . . . . . . . 4354 1 2274 . 1 1 369 369 THR CA C 13 61.884 . . 1 . . . . . . . . 4354 1 2275 . 1 1 369 369 THR CB C 13 69.751 . . 1 . . . . . . . . 4354 1 2276 . 1 1 369 369 THR C C 13 174.046 . . 1 . . . . . . . . 4354 1 2277 . 1 1 370 370 LYS N N 15 128.198 . . 1 . . . . . . . . 4354 1 2278 . 1 1 370 370 LYS H H 1 7.390 . . 1 . . . . . . . . 4354 1 2279 . 1 1 370 370 LYS CA C 13 58.269 . . 1 . . . . . . . . 4354 1 2280 . 1 1 370 370 LYS CB C 13 31.892 . . 1 . . . . . . . . 4354 1 stop_ save_