data_4641 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4641 _Entry.Title ; Human Prion Protein Mutant E200K Fragment 90-231 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-08-25 _Entry.Accession_date 2001-03-16 _Entry.Last_release_date 2001-05-17 _Entry.Original_release_date 2001-05-17 _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 Y. Zhang . . . 4641 2 W. Swietnicki . . . 4641 3 M. Zagorski . G. . 4641 4 W. Surewicz . K. . 4641 5 F. Soennichsen . D. . 4641 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4641 coupling_constants 1 4641 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 593 4641 '1H chemical shifts' 929 4641 '15N chemical shifts' 162 4641 'coupling constants' 44 4641 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-05-17 2000-08-25 original author . 4641 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4641 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 10954699 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of Human Prion Protein Mutant E200K Fragment 90-231' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 275 _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 33650 _Citation.Page_last 33654 _Citation.Year 2000 _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 Y. Zhang . . . 4641 1 2 W. Swietnicki . . . 4641 1 3 M. Zagorski . G. . 4641 1 4 W. Surewicz . K. . 4641 1 5 F. Soennichsen . D. . 4641 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Creutzfeld-Jakob 4641 1 disease 4641 1 prion 4641 1 aggregation 4641 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PRION_PROTEIN _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PRION_PROTEIN _Assembly.Entry_ID 4641 _Assembly.ID 1 _Assembly.Name 'HUMAN PRION PROTEIN (MUTANT E200K)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4641 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 'PRION PROTEIN' 1 $PRION_PROTEIN . . . native . . . . . 4641 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 'PRION PROTEIN' 1 CYS 94 94 SG . 1 'PRION PROTEIN' 1 CYS 129 129 SG 1 'PRION PROTEIN' 179 CYS SG 1 'PRION PROTEIN' 214 CYS SG 4641 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1FO7 . . . . . . 4641 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HUMAN PRION PROTEIN (MUTANT E200K)' system 4641 1 PRION abbreviation 4641 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PRION_PROTEIN _Entity.Sf_category entity _Entity.Sf_framecode PRION_PROTEIN _Entity.Entry_ID 4641 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PRION 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 ; GSDPGQGGGTHSQWNKPSKP KTNMKHMAGAAAAGAVVGGL GGYMLGSAMSRPIIHFGSDY EDRYYRENMHRYPNQVYYRP MDEYSNQNNFVHDCVNITIK QHTVTTTTKGENFTKTDVKM MERVVEQMCITQYERESQAY YQRGSS ; _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 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 15676 . V129/D178N_prion_protein . . . . . 100.00 146 97.95 100.00 4.29e-103 . . . . 4641 1 2 no BMRB 16743 . "HuPrP(90-231 M129 Q212P)" . . . . . 97.26 148 98.59 99.30 1.03e-99 . . . . 4641 1 3 no BMRB 16757 . PrP^(91-231) . . . . . 99.32 145 97.24 100.00 1.24e-101 . . . . 4641 1 4 no BMRB 17714 . HuPrP . . . . . 98.63 147 98.61 100.00 7.91e-103 . . . . 4641 1 5 no BMRB 17756 . hPrP(121-230) . . . . . 75.34 113 99.09 100.00 6.43e-75 . . . . 4641 1 6 no BMRB 17757 . hPrP(121-230) . . . . . 75.34 113 97.27 98.18 5.08e-72 . . . . 4641 1 7 no BMRB 17780 . Hpp_E219K . . . . . 97.26 142 98.59 100.00 1.43e-100 . . . . 4641 1 8 no BMRB 18426 . entity . . . . . 97.26 142 99.30 100.00 3.73e-101 . . . . 4641 1 9 no BMRB 18550 . V210I . . . . . 98.63 147 98.61 100.00 7.91e-103 . . . . 4641 1 10 no BMRB 19268 . MAJOR_PRION_PROTEIN . . . . . 100.00 146 98.63 100.00 6.99e-104 . . . . 4641 1 11 no BMRB 4379 . "human prion protein" . . . . . 76.71 112 98.21 100.00 4.12e-76 . . . . 4641 1 12 no BMRB 4402 . "human prion protein" . . . . . 99.32 210 97.24 97.93 6.04e-99 . . . . 4641 1 13 no BMRB 4434 . "human prion protein" . . . . . 96.58 143 99.29 100.00 1.69e-100 . . . . 4641 1 14 no BMRB 4620 . "prion protein" . . . . . 76.71 112 97.32 100.00 1.34e-75 . . . . 4641 1 15 no BMRB 4736 . "human prion protein" . . . . . 76.71 112 97.32 100.00 1.72e-75 . . . . 4641 1 16 no PDB 1E1G . "Human Prion Protein Variant M166v" . . . . . 70.55 104 98.06 100.00 3.30e-69 . . . . 4641 1 17 no PDB 1E1J . "Human Prion Protein Variant M166v" . . . . . 70.55 104 98.06 100.00 3.30e-69 . . . . 4641 1 18 no PDB 1E1P . "Human Prion Protein Variant S170n" . . . . . 70.55 104 98.06 100.00 3.13e-69 . . . . 4641 1 19 no PDB 1E1S . "Human Prion Protein Variant S170n" . . . . . 70.55 104 98.06 100.00 3.13e-69 . . . . 4641 1 20 no PDB 1E1U . "Human Prion Protein Variant R220k" . . . . . 70.55 104 98.06 100.00 2.28e-69 . . . . 4641 1 21 no PDB 1E1W . "Human Prion Protein Variant R220k" . . . . . 70.55 104 98.06 100.00 2.28e-69 . . . . 4641 1 22 no PDB 1FKC . "Human Prion Protein (Mutant E200k) Fragment 90-231" . . . . . 97.26 142 100.00 100.00 7.99e-102 . . . . 4641 1 23 no PDB 1FO7 . "Human Prion Protein Mutant E200k Fragment 90-231" . . . . . 97.26 142 100.00 100.00 7.99e-102 . . . . 4641 1 24 no PDB 1HJM . "Human Prion Protein At Ph 7.0" . . . . . 70.55 104 99.03 100.00 7.59e-70 . . . . 4641 1 25 no PDB 1HJN . "Human Prion Protein At Ph 7.0" . . . . . 70.55 104 99.03 100.00 7.59e-70 . . . . 4641 1 26 no PDB 1I4M . "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" . . . . . 73.97 108 99.07 100.00 1.18e-73 . . . . 4641 1 27 no PDB 1QLX . "Human Prion Protein" . . . . . 99.32 210 97.24 97.93 6.04e-99 . . . . 4641 1 28 no PDB 1QLZ . "Human Prion Protein" . . . . . 99.32 210 97.24 97.93 6.04e-99 . . . . 4641 1 29 no PDB 1QM0 . "Human Prion Protein Fragment 90-230" . . . . . 96.58 143 99.29 100.00 1.69e-100 . . . . 4641 1 30 no PDB 1QM1 . "Human Prion Protein Fragment 90-230" . . . . . 96.58 143 99.29 100.00 1.69e-100 . . . . 4641 1 31 no PDB 1QM2 . "Human Prion Protein Fragment 121-230" . . . . . 76.71 112 98.21 100.00 4.12e-76 . . . . 4641 1 32 no PDB 1QM3 . "Human Prion Protein Fragment 121-230" . . . . . 76.71 112 98.21 100.00 4.12e-76 . . . . 4641 1 33 no PDB 2K1D . "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" . . . . . 100.00 146 97.95 100.00 4.29e-103 . . . . 4641 1 34 no PDB 2KUN . "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" . . . . . 97.26 148 98.59 99.30 1.03e-99 . . . . 4641 1 35 no PDB 2LEJ . "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" . . . . . 98.63 147 98.61 100.00 7.91e-103 . . . . 4641 1 36 no PDB 2LFT . "Human Prion Protein With E219k Protective Polymorphism" . . . . . 97.26 142 98.59 100.00 1.43e-100 . . . . 4641 1 37 no PDB 2LSB . "Solution-State Nmr Structure Of The Human Prion Protein" . . . . . 97.26 142 99.30 100.00 3.73e-101 . . . . 4641 1 38 no PDB 2LV1 . "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" . . . . . 98.63 147 98.61 100.00 7.91e-103 . . . . 4641 1 39 no PDB 2M8T . "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" . . . . . 100.00 146 98.63 100.00 6.99e-104 . . . . 4641 1 40 no PDB 2W9E . "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" . . . . . 77.40 113 99.12 100.00 2.66e-77 . . . . 4641 1 41 no PDB 3HAF . "Human Prion Protein Variant V129 Domain Swapped Dimer" . . . . . 97.26 142 98.59 100.00 1.60e-100 . . . . 4641 1 42 no PDB 3HAK . "Human Prion Protein Variant V129" . . . . . 70.55 103 98.06 100.00 2.63e-69 . . . . 4641 1 43 no PDB 3HEQ . "Human Prion Protein Variant D178n With M129" . . . . . 97.26 142 98.59 100.00 1.88e-100 . . . . 4641 1 44 no PDB 3HER . "Human Prion Protein Variant F198s With V129" . . . . . 97.26 142 97.89 99.30 3.88e-99 . . . . 4641 1 45 no PDB 3HES . "Human Prion Protein Variant F198s With M129" . . . . . 97.26 142 98.59 99.30 7.21e-100 . . . . 4641 1 46 no PDB 3HJ5 . "Human Prion Protein Variant V129 Domain Swapped Dimer" . . . . . 97.26 142 98.59 100.00 1.60e-100 . . . . 4641 1 47 no PDB 3HJX . "Human Prion Protein Variant D178n With V129" . . . . . 72.60 106 97.17 100.00 1.21e-70 . . . . 4641 1 48 no PDB 4DGI . "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" . . . . . 76.03 111 99.10 100.00 7.27e-76 . . . . 4641 1 49 no PDB 4KML . "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Full-length Human Prion Protein Bound To A Nanobod" . . . . . 100.00 241 97.26 97.95 2.29e-99 . . . . 4641 1 50 no PDB 4N9O . "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" . . . . . 97.26 142 99.30 100.00 3.73e-101 . . . . 4641 1 51 no DBJ BAF62360 . "prion protein, transcript variant 2 [Pan troglodytes verus]" . . . . . 93.84 253 97.81 100.00 8.31e-81 . . . . 4641 1 52 no DBJ BAG32276 . "prion [Homo sapiens]" . . . . . 100.00 253 97.26 97.95 7.15e-99 . . . . 4641 1 53 no DBJ BAG32278 . "alternatively spliced variant form of prion [Homo sapiens]" . . . . . 90.41 230 96.97 97.73 2.09e-88 . . . . 4641 1 54 no DBJ BAG52189 . "unnamed protein product [Homo sapiens]" . . . . . 79.45 163 98.28 99.14 2.30e-79 . . . . 4641 1 55 no DBJ BAG56832 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 192 97.26 97.95 8.24e-100 . . . . 4641 1 56 no EMBL CAA58442 . "prion protein [Homo sapiens]" . . . . . 100.00 245 97.26 97.95 4.13e-99 . . . . 4641 1 57 no EMBL CAG46836 . "PRNP [Homo sapiens]" . . . . . 93.84 253 97.81 99.27 1.14e-75 . . . . 4641 1 58 no GB AAA60182 . "prion protein [Homo sapiens]" . . . . . 100.00 253 97.26 97.95 7.15e-99 . . . . 4641 1 59 no GB AAA68632 . "major prion protein precursor [Pan troglodytes]" . . . . . 93.84 253 97.81 100.00 8.31e-81 . . . . 4641 1 60 no GB AAB59442 . "prion protein, partial [Homo sapiens]" . . . . . 100.00 224 97.26 97.95 2.50e-99 . . . . 4641 1 61 no GB AAB59443 . "prion protein, partial [Homo sapiens]" . . . . . 100.00 233 97.26 97.95 3.64e-99 . . . . 4641 1 62 no GB AAC05365 . "prion protein variant [Homo sapiens]" . . . . . 93.84 246 97.81 100.00 2.31e-77 . . . . 4641 1 63 no REF NP_000302 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 97.26 97.95 7.15e-99 . . . . 4641 1 64 no REF NP_001009093 . "major prion protein preproprotein [Pan troglodytes]" . . . . . 93.84 253 97.81 100.00 8.31e-81 . . . . 4641 1 65 no REF NP_001073590 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 97.26 97.95 7.15e-99 . . . . 4641 1 66 no REF NP_001073591 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 97.26 97.95 7.15e-99 . . . . 4641 1 67 no REF NP_001073592 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 97.26 97.95 7.15e-99 . . . . 4641 1 68 no SP P04156 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=ASCR; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_" . . . . . 100.00 253 97.26 97.95 7.15e-99 . . . . 4641 1 69 no SP P61766 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 93.84 253 97.81 100.00 8.31e-81 . . . . 4641 1 70 no SP P61767 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 93.84 253 97.81 100.00 8.31e-81 . . . . 4641 1 71 no SP P61768 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 93.84 253 97.81 100.00 8.31e-81 . . . . 4641 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PRION PROTEIN' common 4641 1 PRION abbreviation 4641 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 86 GLY . 4641 1 2 87 SER . 4641 1 3 88 ASP . 4641 1 4 89 PRO . 4641 1 5 90 GLY . 4641 1 6 91 GLN . 4641 1 7 92 GLY . 4641 1 8 93 GLY . 4641 1 9 94 GLY . 4641 1 10 95 THR . 4641 1 11 96 HIS . 4641 1 12 97 SER . 4641 1 13 98 GLN . 4641 1 14 99 TRP . 4641 1 15 100 ASN . 4641 1 16 101 LYS . 4641 1 17 102 PRO . 4641 1 18 103 SER . 4641 1 19 104 LYS . 4641 1 20 105 PRO . 4641 1 21 106 LYS . 4641 1 22 107 THR . 4641 1 23 108 ASN . 4641 1 24 109 MET . 4641 1 25 110 LYS . 4641 1 26 111 HIS . 4641 1 27 112 MET . 4641 1 28 113 ALA . 4641 1 29 114 GLY . 4641 1 30 115 ALA . 4641 1 31 116 ALA . 4641 1 32 117 ALA . 4641 1 33 118 ALA . 4641 1 34 119 GLY . 4641 1 35 120 ALA . 4641 1 36 121 VAL . 4641 1 37 122 VAL . 4641 1 38 123 GLY . 4641 1 39 124 GLY . 4641 1 40 125 LEU . 4641 1 41 126 GLY . 4641 1 42 127 GLY . 4641 1 43 128 TYR . 4641 1 44 129 MET . 4641 1 45 130 LEU . 4641 1 46 131 GLY . 4641 1 47 132 SER . 4641 1 48 133 ALA . 4641 1 49 134 MET . 4641 1 50 135 SER . 4641 1 51 136 ARG . 4641 1 52 137 PRO . 4641 1 53 138 ILE . 4641 1 54 139 ILE . 4641 1 55 140 HIS . 4641 1 56 141 PHE . 4641 1 57 142 GLY . 4641 1 58 143 SER . 4641 1 59 144 ASP . 4641 1 60 145 TYR . 4641 1 61 146 GLU . 4641 1 62 147 ASP . 4641 1 63 148 ARG . 4641 1 64 149 TYR . 4641 1 65 150 TYR . 4641 1 66 151 ARG . 4641 1 67 152 GLU . 4641 1 68 153 ASN . 4641 1 69 154 MET . 4641 1 70 155 HIS . 4641 1 71 156 ARG . 4641 1 72 157 TYR . 4641 1 73 158 PRO . 4641 1 74 159 ASN . 4641 1 75 160 GLN . 4641 1 76 161 VAL . 4641 1 77 162 TYR . 4641 1 78 163 TYR . 4641 1 79 164 ARG . 4641 1 80 165 PRO . 4641 1 81 166 MET . 4641 1 82 167 ASP . 4641 1 83 168 GLU . 4641 1 84 169 TYR . 4641 1 85 170 SER . 4641 1 86 171 ASN . 4641 1 87 172 GLN . 4641 1 88 173 ASN . 4641 1 89 174 ASN . 4641 1 90 175 PHE . 4641 1 91 176 VAL . 4641 1 92 177 HIS . 4641 1 93 178 ASP . 4641 1 94 179 CYS . 4641 1 95 180 VAL . 4641 1 96 181 ASN . 4641 1 97 182 ILE . 4641 1 98 183 THR . 4641 1 99 184 ILE . 4641 1 100 185 LYS . 4641 1 101 186 GLN . 4641 1 102 187 HIS . 4641 1 103 188 THR . 4641 1 104 189 VAL . 4641 1 105 190 THR . 4641 1 106 191 THR . 4641 1 107 192 THR . 4641 1 108 193 THR . 4641 1 109 194 LYS . 4641 1 110 195 GLY . 4641 1 111 196 GLU . 4641 1 112 197 ASN . 4641 1 113 198 PHE . 4641 1 114 199 THR . 4641 1 115 200 LYS . 4641 1 116 201 THR . 4641 1 117 202 ASP . 4641 1 118 203 VAL . 4641 1 119 204 LYS . 4641 1 120 205 MET . 4641 1 121 206 MET . 4641 1 122 207 GLU . 4641 1 123 208 ARG . 4641 1 124 209 VAL . 4641 1 125 210 VAL . 4641 1 126 211 GLU . 4641 1 127 212 GLN . 4641 1 128 213 MET . 4641 1 129 214 CYS . 4641 1 130 215 ILE . 4641 1 131 216 THR . 4641 1 132 217 GLN . 4641 1 133 218 TYR . 4641 1 134 219 GLU . 4641 1 135 220 ARG . 4641 1 136 221 GLU . 4641 1 137 222 SER . 4641 1 138 223 GLN . 4641 1 139 224 ALA . 4641 1 140 225 TYR . 4641 1 141 226 TYR . 4641 1 142 227 GLN . 4641 1 143 228 ARG . 4641 1 144 229 GLY . 4641 1 145 230 SER . 4641 1 146 231 SER . 4641 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 . GLY 1 1 4641 1 . SER 2 2 4641 1 . ASP 3 3 4641 1 . PRO 4 4 4641 1 . GLY 5 5 4641 1 . GLN 6 6 4641 1 . GLY 7 7 4641 1 . GLY 8 8 4641 1 . GLY 9 9 4641 1 . THR 10 10 4641 1 . HIS 11 11 4641 1 . SER 12 12 4641 1 . GLN 13 13 4641 1 . TRP 14 14 4641 1 . ASN 15 15 4641 1 . LYS 16 16 4641 1 . PRO 17 17 4641 1 . SER 18 18 4641 1 . LYS 19 19 4641 1 . PRO 20 20 4641 1 . LYS 21 21 4641 1 . THR 22 22 4641 1 . ASN 23 23 4641 1 . MET 24 24 4641 1 . LYS 25 25 4641 1 . HIS 26 26 4641 1 . MET 27 27 4641 1 . ALA 28 28 4641 1 . GLY 29 29 4641 1 . ALA 30 30 4641 1 . ALA 31 31 4641 1 . ALA 32 32 4641 1 . ALA 33 33 4641 1 . GLY 34 34 4641 1 . ALA 35 35 4641 1 . VAL 36 36 4641 1 . VAL 37 37 4641 1 . GLY 38 38 4641 1 . GLY 39 39 4641 1 . LEU 40 40 4641 1 . GLY 41 41 4641 1 . GLY 42 42 4641 1 . TYR 43 43 4641 1 . MET 44 44 4641 1 . LEU 45 45 4641 1 . GLY 46 46 4641 1 . SER 47 47 4641 1 . ALA 48 48 4641 1 . MET 49 49 4641 1 . SER 50 50 4641 1 . ARG 51 51 4641 1 . PRO 52 52 4641 1 . ILE 53 53 4641 1 . ILE 54 54 4641 1 . HIS 55 55 4641 1 . PHE 56 56 4641 1 . GLY 57 57 4641 1 . SER 58 58 4641 1 . ASP 59 59 4641 1 . TYR 60 60 4641 1 . GLU 61 61 4641 1 . ASP 62 62 4641 1 . ARG 63 63 4641 1 . TYR 64 64 4641 1 . TYR 65 65 4641 1 . ARG 66 66 4641 1 . GLU 67 67 4641 1 . ASN 68 68 4641 1 . MET 69 69 4641 1 . HIS 70 70 4641 1 . ARG 71 71 4641 1 . TYR 72 72 4641 1 . PRO 73 73 4641 1 . ASN 74 74 4641 1 . GLN 75 75 4641 1 . VAL 76 76 4641 1 . TYR 77 77 4641 1 . TYR 78 78 4641 1 . ARG 79 79 4641 1 . PRO 80 80 4641 1 . MET 81 81 4641 1 . ASP 82 82 4641 1 . GLU 83 83 4641 1 . TYR 84 84 4641 1 . SER 85 85 4641 1 . ASN 86 86 4641 1 . GLN 87 87 4641 1 . ASN 88 88 4641 1 . ASN 89 89 4641 1 . PHE 90 90 4641 1 . VAL 91 91 4641 1 . HIS 92 92 4641 1 . ASP 93 93 4641 1 . CYS 94 94 4641 1 . VAL 95 95 4641 1 . ASN 96 96 4641 1 . ILE 97 97 4641 1 . THR 98 98 4641 1 . ILE 99 99 4641 1 . LYS 100 100 4641 1 . GLN 101 101 4641 1 . HIS 102 102 4641 1 . THR 103 103 4641 1 . VAL 104 104 4641 1 . THR 105 105 4641 1 . THR 106 106 4641 1 . THR 107 107 4641 1 . THR 108 108 4641 1 . LYS 109 109 4641 1 . GLY 110 110 4641 1 . GLU 111 111 4641 1 . ASN 112 112 4641 1 . PHE 113 113 4641 1 . THR 114 114 4641 1 . LYS 115 115 4641 1 . THR 116 116 4641 1 . ASP 117 117 4641 1 . VAL 118 118 4641 1 . LYS 119 119 4641 1 . MET 120 120 4641 1 . MET 121 121 4641 1 . GLU 122 122 4641 1 . ARG 123 123 4641 1 . VAL 124 124 4641 1 . VAL 125 125 4641 1 . GLU 126 126 4641 1 . GLN 127 127 4641 1 . MET 128 128 4641 1 . CYS 129 129 4641 1 . ILE 130 130 4641 1 . THR 131 131 4641 1 . GLN 132 132 4641 1 . TYR 133 133 4641 1 . GLU 134 134 4641 1 . ARG 135 135 4641 1 . GLU 136 136 4641 1 . SER 137 137 4641 1 . GLN 138 138 4641 1 . ALA 139 139 4641 1 . TYR 140 140 4641 1 . TYR 141 141 4641 1 . GLN 142 142 4641 1 . ARG 143 143 4641 1 . GLY 144 144 4641 1 . SER 145 145 4641 1 . SER 146 146 4641 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4641 _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 $PRION_PROTEIN . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4641 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 4641 _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 $PRION_PROTEIN . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . PRSETB . . . . . . 4641 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4641 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PRION PROTEIN' '[U-15N; U-13C]' . . 1 $PRION_PROTEIN . . 0.8 . . mM . . . . 4641 1 2 'acetate buffer' . . . . . . . 10 . . mM . . . . 4641 1 3 H2O . . . . . . . 90 . . % . . . . 4641 1 4 D2O . . . . . . . 10 . . % . . . . 4641 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4641 _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 4.6 . pH 4641 1 temperature 299 . K 4641 1 pressure 1 . atm 4641 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4641 _Software.ID 1 _Software.Name NMRPipe _Software.Version sgi6x.m4 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4641 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4641 _Software.ID 2 _Software.Name FELIX _Software.Version 98 _Software.Details MSI loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4641 2 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 4641 _Software.ID 3 _Software.Name PIPP _Software.Version 4.24 _Software.Details Garrett loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4641 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 4641 _Software.ID 4 _Software.Name ARIA _Software.Version 0.9 _Software.Details Nilges loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4641 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 4641 _Software.ID 5 _Software.Name CNS _Software.Version 0.9 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4641 5 refinement 4641 5 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 4641 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4641 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 800 . . . 4641 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 4641 _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 '3D 13C-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4641 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4641 1 3 '2D NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4641 1 4 HNHA . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4641 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 4641 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4641 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4641 1 C 13 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 4641 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4641 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4641 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 GLY C C 13 170.2290 . . . . . . . . . . . 4641 1 2 . 1 1 1 1 GLY CA C 13 43.5000 . . . . . . . . . . . 4641 1 3 . 1 1 1 1 GLY HA2 H 1 3.9100 . . . . . . . . . . . 4641 1 4 . 1 1 1 1 GLY HA3 H 1 3.9100 . . . . . . . . . . . 4641 1 5 . 1 1 2 2 SER N N 15 115.7300 . . . . . . . . . . . 4641 1 6 . 1 1 2 2 SER H H 1 8.6550 . . . . . . . . . . . 4641 1 7 . 1 1 2 2 SER C C 13 173.7860 . . . . . . . . . . . 4641 1 8 . 1 1 2 2 SER CA C 13 57.9980 . . . . . . . . . . . 4641 1 9 . 1 1 2 2 SER CB C 13 63.9790 . . . . . . . . . . . 4641 1 10 . 1 1 2 2 SER HA H 1 4.5050 . . . . . . . . . . . 4641 1 11 . 1 1 2 2 SER HB2 H 1 3.8870 . . . . . . . . . . . 4641 1 12 . 1 1 2 2 SER HB3 H 1 3.8360 . . . . . . . . . . . 4641 1 13 . 1 1 3 3 ASP N N 15 123.7520 . . . . . . . . . . . 4641 1 14 . 1 1 3 3 ASP H H 1 8.4950 . . . . . . . . . . . 4641 1 15 . 1 1 3 3 ASP HA H 1 4.9070 . . . . . . . . . . . 4641 1 16 . 1 1 3 3 ASP CA C 13 52.1600 . . . . . . . . . . . 4641 1 17 . 1 1 3 3 ASP CB C 13 41.2600 . . . . . . . . . . . 4641 1 18 . 1 1 3 3 ASP HB2 H 1 2.7380 . . . . . . . . . . . 4641 1 19 . 1 1 3 3 ASP HB3 H 1 2.5720 . . . . . . . . . . . 4641 1 20 . 1 1 4 4 PRO C C 13 177.7060 . . . . . . . . . . . 4641 1 21 . 1 1 4 4 PRO CA C 13 63.6720 . . . . . . . . . . . 4641 1 22 . 1 1 4 4 PRO CB C 13 32.0890 . . . . . . . . . . . 4641 1 23 . 1 1 4 4 PRO CG C 13 27.1880 . . . . . . . . . . . 4641 1 24 . 1 1 4 4 PRO CD C 13 50.8540 . . . . . . . . . . . 4641 1 25 . 1 1 4 4 PRO HA H 1 4.4270 . . . . . . . . . . . 4641 1 26 . 1 1 4 4 PRO HB2 H 1 2.2880 . . . . . . . . . . . 4641 1 27 . 1 1 4 4 PRO HB3 H 1 1.9780 . . . . . . . . . . . 4641 1 28 . 1 1 4 4 PRO HG2 H 1 2.0230 . . . . . . . . . . . 4641 1 29 . 1 1 4 4 PRO HG3 H 1 2.0230 . . . . . . . . . . . 4641 1 30 . 1 1 4 4 PRO HD2 H 1 3.8940 . . . . . . . . . . . 4641 1 31 . 1 1 4 4 PRO HD3 H 1 3.8140 . . . . . . . . . . . 4641 1 32 . 1 1 5 5 GLY N N 15 108.5000 . . . . . . . . . . . 4641 1 33 . 1 1 5 5 GLY H H 1 8.5340 . . . . . . . . . . . 4641 1 34 . 1 1 5 5 GLY C C 13 174.4940 . . . . . . . . . . . 4641 1 35 . 1 1 5 5 GLY CA C 13 45.4750 . . . . . . . . . . . 4641 1 36 . 1 1 5 5 GLY HA2 H 1 3.9400 . . . . . . . . . . . 4641 1 37 . 1 1 5 5 GLY HA3 H 1 3.9400 . . . . . . . . . . . 4641 1 38 . 1 1 6 6 GLN N N 15 119.5530 . . . . . . . . . . . 4641 1 39 . 1 1 6 6 GLN H H 1 8.1450 . . . . . . . . . . . 4641 1 40 . 1 1 6 6 GLN C C 13 176.7260 . . . . . . . . . . . 4641 1 41 . 1 1 6 6 GLN CA C 13 55.8130 . . . . . . . . . . . 4641 1 42 . 1 1 6 6 GLN CB C 13 29.2840 . . . . . . . . . . . 4641 1 43 . 1 1 6 6 GLN HA H 1 4.3590 . . . . . . . . . . . 4641 1 44 . 1 1 6 6 GLN HB2 H 1 2.1690 . . . . . . . . . . . 4641 1 45 . 1 1 6 6 GLN HB3 H 1 1.9940 . . . . . . . . . . . 4641 1 46 . 1 1 6 6 GLN CG C 13 33.7730 . . . . . . . . . . . 4641 1 47 . 1 1 6 6 GLN HG2 H 1 2.3560 . . . . . . . . . . . 4641 1 48 . 1 1 6 6 GLN HG3 H 1 2.3560 . . . . . . . . . . . 4641 1 49 . 1 1 6 6 GLN NE2 N 15 112.2630 . . . . . . . . . . . 4641 1 50 . 1 1 6 6 GLN HE21 H 1 7.4080 . . . . . . . . . . . 4641 1 51 . 1 1 6 6 GLN HE22 H 1 6.8430 . . . . . . . . . . . 4641 1 52 . 1 1 7 7 GLY N N 15 109.9220 . . . . . . . . . . . 4641 1 53 . 1 1 7 7 GLY H H 1 8.5050 . . . . . . . . . . . 4641 1 54 . 1 1 7 7 GLY C C 13 174.8850 . . . . . . . . . . . 4641 1 55 . 1 1 7 7 GLY CA C 13 45.4600 . . . . . . . . . . . 4641 1 56 . 1 1 7 7 GLY HA2 H 1 3.9900 . . . . . . . . . . . 4641 1 57 . 1 1 7 7 GLY HA3 H 1 3.5900 . . . . . . . . . . . 4641 1 58 . 1 1 8 8 GLY N N 15 108.7300 . . . . . . . . . . . 4641 1 59 . 1 1 8 8 GLY H H 1 8.3460 . . . . . . . . . . . 4641 1 60 . 1 1 8 8 GLY C C 13 174.1800 . . . . . . . . . . . 4641 1 61 . 1 1 8 8 GLY CA C 13 45.4530 . . . . . . . . . . . 4641 1 62 . 1 1 8 8 GLY HA2 H 1 3.9870 . . . . . . . . . . . 4641 1 63 . 1 1 8 8 GLY HA3 H 1 3.9870 . . . . . . . . . . . 4641 1 64 . 1 1 9 9 GLY N N 15 119.9930 . . . . . . . . . . . 4641 1 65 . 1 1 9 9 GLY H H 1 8.4740 . . . . . . . . . . . 4641 1 66 . 1 1 9 9 GLY C C 13 174.6100 . . . . . . . . . . . 4641 1 67 . 1 1 9 9 GLY CA C 13 45.2850 . . . . . . . . . . . 4641 1 68 . 1 1 9 9 GLY HA2 H 1 4.0170 . . . . . . . . . . . 4641 1 69 . 1 1 9 9 GLY HA3 H 1 4.0170 . . . . . . . . . . . 4641 1 70 . 1 1 10 10 THR N N 15 113.4050 . . . . . . . . . . . 4641 1 71 . 1 1 10 10 THR H H 1 8.1280 . . . . . . . . . . . 4641 1 72 . 1 1 10 10 THR C C 13 174.7700 . . . . . . . . . . . 4641 1 73 . 1 1 10 10 THR CA C 13 61.9030 . . . . . . . . . . . 4641 1 74 . 1 1 10 10 THR CB C 13 69.5020 . . . . . . . . . . . 4641 1 75 . 1 1 10 10 THR CG2 C 13 21.4470 . . . . . . . . . . . 4641 1 76 . 1 1 10 10 THR HA H 1 4.2830 . . . . . . . . . . . 4641 1 77 . 1 1 10 10 THR HB H 1 4.1730 . . . . . . . . . . . 4641 1 78 . 1 1 10 10 THR HG21 H 1 1.1570 . . . . . . . . . . . 4641 1 79 . 1 1 10 10 THR HG22 H 1 1.1570 . . . . . . . . . . . 4641 1 80 . 1 1 10 10 THR HG23 H 1 1.1570 . . . . . . . . . . . 4641 1 81 . 1 1 11 11 HIS N N 15 120.5780 . . . . . . . . . . . 4641 1 82 . 1 1 11 11 HIS H H 1 8.5570 . . . . . . . . . . . 4641 1 83 . 1 1 11 11 HIS C C 13 174.6360 . . . . . . . . . . . 4641 1 84 . 1 1 11 11 HIS CA C 13 55.2080 . . . . . . . . . . . 4641 1 85 . 1 1 11 11 HIS CB C 13 28.9690 . . . . . . . . . . . 4641 1 86 . 1 1 11 11 HIS HA H 1 4.7220 . . . . . . . . . . . 4641 1 87 . 1 1 11 11 HIS HB2 H 1 3.2630 . . . . . . . . . . . 4641 1 88 . 1 1 11 11 HIS HB3 H 1 3.1380 . . . . . . . . . . . 4641 1 89 . 1 1 11 11 HIS HE1 H 1 8.4980 . . . . . . . . . . . 4641 1 90 . 1 1 11 11 HIS HD2 H 1 7.2470 . . . . . . . . . . . 4641 1 91 . 1 1 11 11 HIS CE1 C 13 134.1600 . . . . . . . . . . . 4641 1 92 . 1 1 11 11 HIS CD2 C 13 119.6000 . . . . . . . . . . . 4641 1 93 . 1 1 12 12 SER N N 15 116.8280 . . . . . . . . . . . 4641 1 94 . 1 1 12 12 SER H H 1 8.2950 . . . . . . . . . . . 4641 1 95 . 1 1 12 12 SER C C 13 174.5650 . . . . . . . . . . . 4641 1 96 . 1 1 12 12 SER CA C 13 58.5450 . . . . . . . . . . . 4641 1 97 . 1 1 12 12 SER CB C 13 63.5320 . . . . . . . . . . . 4641 1 98 . 1 1 12 12 SER HA H 1 4.3890 . . . . . . . . . . . 4641 1 99 . 1 1 12 12 SER HB2 H 1 3.8370 . . . . . . . . . . . 4641 1 100 . 1 1 12 12 SER HB3 H 1 3.7560 . . . . . . . . . . . 4641 1 101 . 1 1 13 13 GLN N N 15 122.0310 . . . . . . . . . . . 4641 1 102 . 1 1 13 13 GLN H H 1 8.4890 . . . . . . . . . . . 4641 1 103 . 1 1 13 13 GLN C C 13 175.6910 . . . . . . . . . . . 4641 1 104 . 1 1 13 13 GLN CA C 13 55.9690 . . . . . . . . . . . 4641 1 105 . 1 1 13 13 GLN CB C 13 29.1310 . . . . . . . . . . . 4641 1 106 . 1 1 13 13 GLN HA H 1 4.2910 . . . . . . . . . . . 4641 1 107 . 1 1 13 13 GLN HB2 H 1 1.9610 . . . . . . . . . . . 4641 1 108 . 1 1 13 13 GLN HB3 H 1 1.8650 . . . . . . . . . . . 4641 1 109 . 1 1 13 13 GLN CG C 13 33.4720 . . . . . . . . . . . 4641 1 110 . 1 1 13 13 GLN HG2 H 1 2.1640 . . . . . . . . . . . 4641 1 111 . 1 1 13 13 GLN HG3 H 1 2.1640 . . . . . . . . . . . 4641 1 112 . 1 1 13 13 GLN NE2 N 15 112.4600 . . . . . . . . . . . 4641 1 113 . 1 1 13 13 GLN HE21 H 1 7.4690 . . . . . . . . . . . 4641 1 114 . 1 1 13 13 GLN HE22 H 1 6.8390 . . . . . . . . . . . 4641 1 115 . 1 1 14 14 TRP N N 15 121.6330 . . . . . . . . . . . 4641 1 116 . 1 1 14 14 TRP H H 1 8.1120 . . . . . . . . . . . 4641 1 117 . 1 1 14 14 TRP C C 13 175.7840 . . . . . . . . . . . 4641 1 118 . 1 1 14 14 TRP CA C 13 57.0160 . . . . . . . . . . . 4641 1 119 . 1 1 14 14 TRP CB C 13 29.5520 . . . . . . . . . . . 4641 1 120 . 1 1 14 14 TRP HA H 1 4.6840 . . . . . . . . . . . 4641 1 121 . 1 1 14 14 TRP HB2 H 1 3.3060 . . . . . . . . . . . 4641 1 122 . 1 1 14 14 TRP HB3 H 1 3.2020 . . . . . . . . . . . 4641 1 123 . 1 1 14 14 TRP HE1 H 1 10.1160 . . . . . . . . . . . 4641 1 124 . 1 1 14 14 TRP NE1 N 15 129.2870 . . . . . . . . . . . 4641 1 125 . 1 1 14 14 TRP HD1 H 1 7.2450 . . . . . . . . . . . 4641 1 126 . 1 1 14 14 TRP HE3 H 1 7.6070 . . . . . . . . . . . 4641 1 127 . 1 1 14 14 TRP HZ3 H 1 7.1280 . . . . . . . . . . . 4641 1 128 . 1 1 14 14 TRP HH2 H 1 7.2170 . . . . . . . . . . . 4641 1 129 . 1 1 14 14 TRP HZ2 H 1 7.4620 . . . . . . . . . . . 4641 1 130 . 1 1 14 14 TRP CD1 C 13 126.9500 . . . . . . . . . . . 4641 1 131 . 1 1 14 14 TRP CE3 C 13 120.7000 . . . . . . . . . . . 4641 1 132 . 1 1 14 14 TRP CZ3 C 13 121.8000 . . . . . . . . . . . 4641 1 133 . 1 1 14 14 TRP CH2 C 13 124.4700 . . . . . . . . . . . 4641 1 134 . 1 1 14 14 TRP CZ2 C 13 114.4000 . . . . . . . . . . . 4641 1 135 . 1 1 15 15 ASN N N 15 120.5150 . . . . . . . . . . . 4641 1 136 . 1 1 15 15 ASN H H 1 8.1160 . . . . . . . . . . . 4641 1 137 . 1 1 15 15 ASN C C 13 174.2620 . . . . . . . . . . . 4641 1 138 . 1 1 15 15 ASN CA C 13 52.6490 . . . . . . . . . . . 4641 1 139 . 1 1 15 15 ASN CB C 13 38.7810 . . . . . . . . . . . 4641 1 140 . 1 1 15 15 ASN HA H 1 4.6160 . . . . . . . . . . . 4641 1 141 . 1 1 15 15 ASN HB3 H 1 2.5620 . . . . . . . . . . . 4641 1 142 . 1 1 15 15 ASN ND2 N 15 111.9420 . . . . . . . . . . . 4641 1 143 . 1 1 15 15 ASN HD21 H 1 6.8340 . . . . . . . . . . . 4641 1 144 . 1 1 15 15 ASN HD22 H 1 7.4810 . . . . . . . . . . . 4641 1 145 . 1 1 16 16 LYS N N 15 122.6040 . . . . . . . . . . . 4641 1 146 . 1 1 16 16 LYS H H 1 7.9980 . . . . . . . . . . . 4641 1 147 . 1 1 16 16 LYS C C 13 176.7000 . . . . . . . . . . . 4641 1 148 . 1 1 16 16 LYS CA C 13 54.1470 . . . . . . . . . . . 4641 1 149 . 1 1 16 16 LYS CB C 13 32.5200 . . . . . . . . . . . 4641 1 150 . 1 1 16 16 LYS CG C 13 24.2800 . . . . . . . . . . . 4641 1 151 . 1 1 16 16 LYS CD C 13 29.1240 . . . . . . . . . . . 4641 1 152 . 1 1 16 16 LYS CE C 13 41.9430 . . . . . . . . . . . 4641 1 153 . 1 1 16 16 LYS HA H 1 4.4580 . . . . . . . . . . . 4641 1 154 . 1 1 16 16 LYS HB2 H 1 1.7730 . . . . . . . . . . . 4641 1 155 . 1 1 16 16 LYS HB3 H 1 1.6460 . . . . . . . . . . . 4641 1 156 . 1 1 16 16 LYS HG2 H 1 1.4050 . . . . . . . . . . . 4641 1 157 . 1 1 16 16 LYS HG3 H 1 1.3690 . . . . . . . . . . . 4641 1 158 . 1 1 16 16 LYS HD2 H 1 1.6630 . . . . . . . . . . . 4641 1 159 . 1 1 16 16 LYS HD3 H 1 1.6630 . . . . . . . . . . . 4641 1 160 . 1 1 16 16 LYS HE2 H 1 2.9580 . . . . . . . . . . . 4641 1 161 . 1 1 16 16 LYS HE3 H 1 2.9580 . . . . . . . . . . . 4641 1 162 . 1 1 17 17 PRO C C 13 176.9390 . . . . . . . . . . . 4641 1 163 . 1 1 17 17 PRO CA C 13 63.1920 . . . . . . . . . . . 4641 1 164 . 1 1 17 17 PRO CB C 13 32.2450 . . . . . . . . . . . 4641 1 165 . 1 1 17 17 PRO HA H 1 4.4450 . . . . . . . . . . . 4641 1 166 . 1 1 17 17 PRO HB2 H 1 2.3030 . . . . . . . . . . . 4641 1 167 . 1 1 17 17 PRO HB3 H 1 1.9150 . . . . . . . . . . . 4641 1 168 . 1 1 17 17 PRO CD C 13 50.6960 . . . . . . . . . . . 4641 1 169 . 1 1 17 17 PRO HD2 H 1 3.7790 . . . . . . . . . . . 4641 1 170 . 1 1 17 17 PRO HD3 H 1 3.6290 . . . . . . . . . . . 4641 1 171 . 1 1 17 17 PRO CG C 13 27.3910 . . . . . . . . . . . 4641 1 172 . 1 1 17 17 PRO HG2 H 1 2.0350 . . . . . . . . . . . 4641 1 173 . 1 1 17 17 PRO HG3 H 1 2.0350 . . . . . . . . . . . 4641 1 174 . 1 1 18 18 SER N N 15 116.8590 . . . . . . . . . . . 4641 1 175 . 1 1 18 18 SER H H 1 8.4420 . . . . . . . . . . . 4641 1 176 . 1 1 18 18 SER C C 13 174.1390 . . . . . . . . . . . 4641 1 177 . 1 1 18 18 SER CA C 13 58.1140 . . . . . . . . . . . 4641 1 178 . 1 1 18 18 SER CB C 13 64.0910 . . . . . . . . . . . 4641 1 179 . 1 1 18 18 SER HA H 1 4.4470 . . . . . . . . . . . 4641 1 180 . 1 1 18 18 SER HB2 H 1 3.8750 . . . . . . . . . . . 4641 1 181 . 1 1 18 18 SER HB3 H 1 3.8200 . . . . . . . . . . . 4641 1 182 . 1 1 19 19 LYS N N 15 124.1040 . . . . . . . . . . . 4641 1 183 . 1 1 19 19 LYS H H 1 8.3360 . . . . . . . . . . . 4641 1 184 . 1 1 19 19 LYS C C 13 174.4000 . . . . . . . . . . . 4641 1 185 . 1 1 19 19 LYS CA C 13 54.1560 . . . . . . . . . . . 4641 1 186 . 1 1 19 19 LYS CB C 13 32.7130 . . . . . . . . . . . 4641 1 187 . 1 1 19 19 LYS CG C 13 24.6130 . . . . . . . . . . . 4641 1 188 . 1 1 19 19 LYS CD C 13 29.1440 . . . . . . . . . . . 4641 1 189 . 1 1 19 19 LYS CE C 13 41.7180 . . . . . . . . . . . 4641 1 190 . 1 1 19 19 LYS HA H 1 4.6290 . . . . . . . . . . . 4641 1 191 . 1 1 19 19 LYS HB2 H 1 1.8280 . . . . . . . . . . . 4641 1 192 . 1 1 19 19 LYS HB3 H 1 1.7200 . . . . . . . . . . . 4641 1 193 . 1 1 19 19 LYS HG2 H 1 1.4620 . . . . . . . . . . . 4641 1 194 . 1 1 19 19 LYS HG3 H 1 1.4620 . . . . . . . . . . . 4641 1 195 . 1 1 19 19 LYS HD2 H 1 1.6950 . . . . . . . . . . . 4641 1 196 . 1 1 19 19 LYS HD3 H 1 1.6950 . . . . . . . . . . . 4641 1 197 . 1 1 19 19 LYS HE2 H 1 2.9930 . . . . . . . . . . . 4641 1 198 . 1 1 19 19 LYS HE3 H 1 2.9930 . . . . . . . . . . . 4641 1 199 . 1 1 20 20 PRO CA C 13 63.1500 . . . . . . . . . . . 4641 1 200 . 1 1 20 20 PRO CB C 13 32.2410 . . . . . . . . . . . 4641 1 201 . 1 1 20 20 PRO C C 13 174.8260 . . . . . . . . . . . 4641 1 202 . 1 1 20 20 PRO CD C 13 50.7400 . . . . . . . . . . . 4641 1 203 . 1 1 20 20 PRO HA H 1 4.4240 . . . . . . . . . . . 4641 1 204 . 1 1 20 20 PRO HB2 H 1 2.2950 . . . . . . . . . . . 4641 1 205 . 1 1 20 20 PRO HB3 H 1 1.9070 . . . . . . . . . . . 4641 1 206 . 1 1 20 20 PRO HD2 H 1 3.8410 . . . . . . . . . . . 4641 1 207 . 1 1 20 20 PRO HD3 H 1 3.6490 . . . . . . . . . . . 4641 1 208 . 1 1 20 20 PRO CG C 13 27.3350 . . . . . . . . . . . 4641 1 209 . 1 1 20 20 PRO HG2 H 1 2.0300 . . . . . . . . . . . 4641 1 210 . 1 1 20 20 PRO HG3 H 1 2.0300 . . . . . . . . . . . 4641 1 211 . 1 1 21 21 LYS N N 15 122.0690 . . . . . . . . . . . 4641 1 212 . 1 1 21 21 LYS H H 1 8.5380 . . . . . . . . . . . 4641 1 213 . 1 1 21 21 LYS C C 13 176.8560 . . . . . . . . . . . 4641 1 214 . 1 1 21 21 LYS CA C 13 56.3060 . . . . . . . . . . . 4641 1 215 . 1 1 21 21 LYS CB C 13 32.9010 . . . . . . . . . . . 4641 1 216 . 1 1 21 21 LYS HA H 1 4.3480 . . . . . . . . . . . 4641 1 217 . 1 1 21 21 LYS HB2 H 1 1.8640 . . . . . . . . . . . 4641 1 218 . 1 1 21 21 LYS HB3 H 1 1.7710 . . . . . . . . . . . 4641 1 219 . 1 1 21 21 LYS CG C 13 24.8960 . . . . . . . . . . . 4641 1 220 . 1 1 21 21 LYS HG2 H 1 1.5120 . . . . . . . . . . . 4641 1 221 . 1 1 21 21 LYS HG3 H 1 1.4530 . . . . . . . . . . . 4641 1 222 . 1 1 21 21 LYS CD C 13 29.0290 . . . . . . . . . . . 4641 1 223 . 1 1 21 21 LYS CE C 13 41.9420 . . . . . . . . . . . 4641 1 224 . 1 1 21 21 LYS HD2 H 1 1.7080 . . . . . . . . . . . 4641 1 225 . 1 1 21 21 LYS HD3 H 1 1.7080 . . . . . . . . . . . 4641 1 226 . 1 1 21 21 LYS HE2 H 1 3.0080 . . . . . . . . . . . 4641 1 227 . 1 1 21 21 LYS HE3 H 1 3.0150 . . . . . . . . . . . 4641 1 228 . 1 1 22 22 THR N N 15 115.2120 . . . . . . . . . . . 4641 1 229 . 1 1 22 22 THR H H 1 8.1550 . . . . . . . . . . . 4641 1 230 . 1 1 22 22 THR C C 13 173.9940 . . . . . . . . . . . 4641 1 231 . 1 1 22 22 THR CA C 13 61.5850 . . . . . . . . . . . 4641 1 232 . 1 1 22 22 THR CB C 13 69.8590 . . . . . . . . . . . 4641 1 233 . 1 1 22 22 THR CG2 C 13 21.2400 . . . . . . . . . . . 4641 1 234 . 1 1 22 22 THR HA H 1 4.3340 . . . . . . . . . . . 4641 1 235 . 1 1 22 22 THR HB H 1 4.1810 . . . . . . . . . . . 4641 1 236 . 1 1 22 22 THR HG21 H 1 1.1860 . . . . . . . . . . . 4641 1 237 . 1 1 22 22 THR HG22 H 1 1.1860 . . . . . . . . . . . 4641 1 238 . 1 1 22 22 THR HG23 H 1 1.1860 . . . . . . . . . . . 4641 1 239 . 1 1 23 23 ASN N N 15 121.2990 . . . . . . . . . . . 4641 1 240 . 1 1 23 23 ASN H H 1 8.5550 . . . . . . . . . . . 4641 1 241 . 1 1 23 23 ASN C C 13 175.0890 . . . . . . . . . . . 4641 1 242 . 1 1 23 23 ASN CA C 13 53.0250 . . . . . . . . . . . 4641 1 243 . 1 1 23 23 ASN CB C 13 38.7360 . . . . . . . . . . . 4641 1 244 . 1 1 23 23 ASN HA H 1 4.7240 . . . . . . . . . . . 4641 1 245 . 1 1 23 23 ASN HB2 H 1 2.8390 . . . . . . . . . . . 4641 1 246 . 1 1 23 23 ASN HB3 H 1 2.7650 . . . . . . . . . . . 4641 1 247 . 1 1 23 23 ASN ND2 N 15 112.5870 . . . . . . . . . . . 4641 1 248 . 1 1 23 23 ASN HD21 H 1 7.6040 . . . . . . . . . . . 4641 1 249 . 1 1 23 23 ASN HD22 H 1 6.9060 . . . . . . . . . . . 4641 1 250 . 1 1 24 24 MET N N 15 121.2740 . . . . . . . . . . . 4641 1 251 . 1 1 24 24 MET H H 1 8.3600 . . . . . . . . . . . 4641 1 252 . 1 1 24 24 MET C C 13 176.1190 . . . . . . . . . . . 4641 1 253 . 1 1 24 24 MET CA C 13 55.6280 . . . . . . . . . . . 4641 1 254 . 1 1 24 24 MET CB C 13 32.8890 . . . . . . . . . . . 4641 1 255 . 1 1 24 24 MET HA H 1 4.4500 . . . . . . . . . . . 4641 1 256 . 1 1 24 24 MET HB2 H 1 2.0660 . . . . . . . . . . . 4641 1 257 . 1 1 24 24 MET HB3 H 1 1.9660 . . . . . . . . . . . 4641 1 258 . 1 1 24 24 MET CG C 13 32.0220 . . . . . . . . . . . 4641 1 259 . 1 1 24 24 MET HG2 H 1 2.5730 . . . . . . . . . . . 4641 1 260 . 1 1 24 24 MET HG3 H 1 2.5100 . . . . . . . . . . . 4641 1 261 . 1 1 24 24 MET CE C 13 19.2580 . . . . . . . . . . . 4641 1 262 . 1 1 24 24 MET HE1 H 1 1.3930 . . . . . . . . . . . 4641 1 263 . 1 1 24 24 MET HE2 H 1 1.3930 . . . . . . . . . . . 4641 1 264 . 1 1 24 24 MET HE3 H 1 1.3930 . . . . . . . . . . . 4641 1 265 . 1 1 25 25 LYS N N 15 122.2180 . . . . . . . . . . . 4641 1 266 . 1 1 25 25 LYS H H 1 8.3150 . . . . . . . . . . . 4641 1 267 . 1 1 25 25 LYS C C 13 176.2460 . . . . . . . . . . . 4641 1 268 . 1 1 25 25 LYS CA C 13 56.3470 . . . . . . . . . . . 4641 1 269 . 1 1 25 25 LYS CB C 13 32.8830 . . . . . . . . . . . 4641 1 270 . 1 1 25 25 LYS HA H 1 4.2470 . . . . . . . . . . . 4641 1 271 . 1 1 25 25 LYS HB3 H 1 1.7440 . . . . . . . . . . . 4641 1 272 . 1 1 25 25 LYS CG C 13 24.8440 . . . . . . . . . . . 4641 1 273 . 1 1 25 25 LYS HG2 H 1 1.4150 . . . . . . . . . . . 4641 1 274 . 1 1 25 25 LYS HG3 H 1 1.3540 . . . . . . . . . . . 4641 1 275 . 1 1 25 25 LYS CD C 13 29.0130 . . . . . . . . . . . 4641 1 276 . 1 1 25 25 LYS HD2 H 1 1.6630 . . . . . . . . . . . 4641 1 277 . 1 1 25 25 LYS HD3 H 1 1.6630 . . . . . . . . . . . 4641 1 278 . 1 1 25 25 LYS CE C 13 41.9000 . . . . . . . . . . . 4641 1 279 . 1 1 25 25 LYS HE2 H 1 2.9790 . . . . . . . . . . . 4641 1 280 . 1 1 25 25 LYS HE3 H 1 2.9790 . . . . . . . . . . . 4641 1 281 . 1 1 26 26 HIS N N 15 119.8970 . . . . . . . . . . . 4641 1 282 . 1 1 26 26 HIS H H 1 8.4990 . . . . . . . . . . . 4641 1 283 . 1 1 26 26 HIS C C 13 174.4210 . . . . . . . . . . . 4641 1 284 . 1 1 26 26 HIS CA C 13 55.2210 . . . . . . . . . . . 4641 1 285 . 1 1 26 26 HIS CB C 13 29.0070 . . . . . . . . . . . 4641 1 286 . 1 1 26 26 HIS HA H 1 4.6670 . . . . . . . . . . . 4641 1 287 . 1 1 26 26 HIS HB2 H 1 3.2280 . . . . . . . . . . . 4641 1 288 . 1 1 26 26 HIS HB3 H 1 3.1360 . . . . . . . . . . . 4641 1 289 . 1 1 26 26 HIS HE1 H 1 8.5760 . . . . . . . . . . . 4641 1 290 . 1 1 26 26 HIS HD2 H 1 7.2330 . . . . . . . . . . . 4641 1 291 . 1 1 26 26 HIS CE1 C 13 134.1600 . . . . . . . . . . . 4641 1 292 . 1 1 26 26 HIS CD2 C 13 118.7000 . . . . . . . . . . . 4641 1 293 . 1 1 27 27 MET N N 15 122.6340 . . . . . . . . . . . 4641 1 294 . 1 1 27 27 MET H H 1 8.4170 . . . . . . . . . . . 4641 1 295 . 1 1 27 27 MET C C 13 175.6810 . . . . . . . . . . . 4641 1 296 . 1 1 27 27 MET CA C 13 55.3090 . . . . . . . . . . . 4641 1 297 . 1 1 27 27 MET CB C 13 33.0620 . . . . . . . . . . . 4641 1 298 . 1 1 27 27 MET HA H 1 4.4800 . . . . . . . . . . . 4641 1 299 . 1 1 27 27 MET HB2 H 1 2.0730 . . . . . . . . . . . 4641 1 300 . 1 1 27 27 MET HB3 H 1 1.9640 . . . . . . . . . . . 4641 1 301 . 1 1 27 27 MET CG C 13 31.9980 . . . . . . . . . . . 4641 1 302 . 1 1 27 27 MET HG2 H 1 2.5800 . . . . . . . . . . . 4641 1 303 . 1 1 27 27 MET HG3 H 1 2.5080 . . . . . . . . . . . 4641 1 304 . 1 1 27 27 MET CE C 13 16.9860 . . . . . . . . . . . 4641 1 305 . 1 1 27 27 MET HE1 H 1 2.0890 . . . . . . . . . . . 4641 1 306 . 1 1 27 27 MET HE2 H 1 2.0890 . . . . . . . . . . . 4641 1 307 . 1 1 27 27 MET HE3 H 1 2.0890 . . . . . . . . . . . 4641 1 308 . 1 1 28 28 ALA N N 15 125.7420 . . . . . . . . . . . 4641 1 309 . 1 1 28 28 ALA H H 1 8.4370 . . . . . . . . . . . 4641 1 310 . 1 1 28 28 ALA C C 13 178.0840 . . . . . . . . . . . 4641 1 311 . 1 1 28 28 ALA CA C 13 52.7280 . . . . . . . . . . . 4641 1 312 . 1 1 28 28 ALA CB C 13 19.3800 . . . . . . . . . . . 4641 1 313 . 1 1 28 28 ALA HA H 1 4.3300 . . . . . . . . . . . 4641 1 314 . 1 1 28 28 ALA HB1 H 1 1.4080 . . . . . . . . . . . 4641 1 315 . 1 1 28 28 ALA HB2 H 1 1.4080 . . . . . . . . . . . 4641 1 316 . 1 1 28 28 ALA HB3 H 1 1.4080 . . . . . . . . . . . 4641 1 317 . 1 1 29 29 GLY N N 15 108.5380 . . . . . . . . . . . 4641 1 318 . 1 1 29 29 GLY H H 1 8.4110 . . . . . . . . . . . 4641 1 319 . 1 1 29 29 GLY C C 13 173.9420 . . . . . . . . . . . 4641 1 320 . 1 1 29 29 GLY CA C 13 45.2530 . . . . . . . . . . . 4641 1 321 . 1 1 29 29 GLY HA2 H 1 3.9500 . . . . . . . . . . . 4641 1 322 . 1 1 29 29 GLY HA3 H 1 3.9000 . . . . . . . . . . . 4641 1 323 . 1 1 30 30 ALA N N 15 123.8310 . . . . . . . . . . . 4641 1 324 . 1 1 30 30 ALA H H 1 8.1590 . . . . . . . . . . . 4641 1 325 . 1 1 30 30 ALA C C 13 177.6610 . . . . . . . . . . . 4641 1 326 . 1 1 30 30 ALA CA C 13 52.5770 . . . . . . . . . . . 4641 1 327 . 1 1 30 30 ALA CB C 13 19.4790 . . . . . . . . . . . 4641 1 328 . 1 1 30 30 ALA HA H 1 4.3120 . . . . . . . . . . . 4641 1 329 . 1 1 30 30 ALA HB1 H 1 1.3890 . . . . . . . . . . . 4641 1 330 . 1 1 30 30 ALA HB2 H 1 1.3890 . . . . . . . . . . . 4641 1 331 . 1 1 30 30 ALA HB3 H 1 1.3890 . . . . . . . . . . . 4641 1 332 . 1 1 31 31 ALA N N 15 123.1670 . . . . . . . . . . . 4641 1 333 . 1 1 31 31 ALA H H 1 8.2990 . . . . . . . . . . . 4641 1 334 . 1 1 31 31 ALA C C 13 177.5870 . . . . . . . . . . . 4641 1 335 . 1 1 31 31 ALA CA C 13 52.5080 . . . . . . . . . . . 4641 1 336 . 1 1 31 31 ALA CB C 13 19.2330 . . . . . . . . . . . 4641 1 337 . 1 1 31 31 ALA HA H 1 4.2930 . . . . . . . . . . . 4641 1 338 . 1 1 31 31 ALA HB1 H 1 1.3870 . . . . . . . . . . . 4641 1 339 . 1 1 31 31 ALA HB2 H 1 1.3870 . . . . . . . . . . . 4641 1 340 . 1 1 31 31 ALA HB3 H 1 1.3870 . . . . . . . . . . . 4641 1 341 . 1 1 32 32 ALA N N 15 123.2480 . . . . . . . . . . . 4641 1 342 . 1 1 32 32 ALA H H 1 8.2140 . . . . . . . . . . . 4641 1 343 . 1 1 32 32 ALA C C 13 177.5370 . . . . . . . . . . . 4641 1 344 . 1 1 32 32 ALA CA C 13 52.4290 . . . . . . . . . . . 4641 1 345 . 1 1 32 32 ALA CB C 13 19.2780 . . . . . . . . . . . 4641 1 346 . 1 1 32 32 ALA HA H 1 4.2900 . . . . . . . . . . . 4641 1 347 . 1 1 32 32 ALA HB1 H 1 1.3840 . . . . . . . . . . . 4641 1 348 . 1 1 32 32 ALA HB2 H 1 1.3840 . . . . . . . . . . . 4641 1 349 . 1 1 32 32 ALA HB3 H 1 1.3840 . . . . . . . . . . . 4641 1 350 . 1 1 33 33 ALA N N 15 123.2540 . . . . . . . . . . . 4641 1 351 . 1 1 33 33 ALA H H 1 8.2490 . . . . . . . . . . . 4641 1 352 . 1 1 33 33 ALA C C 13 178.1970 . . . . . . . . . . . 4641 1 353 . 1 1 33 33 ALA CA C 13 52.7150 . . . . . . . . . . . 4641 1 354 . 1 1 33 33 ALA CB C 13 19.2550 . . . . . . . . . . . 4641 1 355 . 1 1 33 33 ALA HA H 1 4.3110 . . . . . . . . . . . 4641 1 356 . 1 1 33 33 ALA HB1 H 1 1.4000 . . . . . . . . . . . 4641 1 357 . 1 1 33 33 ALA HB2 H 1 1.4000 . . . . . . . . . . . 4641 1 358 . 1 1 33 33 ALA HB3 H 1 1.4000 . . . . . . . . . . . 4641 1 359 . 1 1 34 34 GLY N N 15 107.9060 . . . . . . . . . . . 4641 1 360 . 1 1 34 34 GLY H H 1 8.2790 . . . . . . . . . . . 4641 1 361 . 1 1 34 34 GLY C C 13 173.6550 . . . . . . . . . . . 4641 1 362 . 1 1 34 34 GLY CA C 13 45.2400 . . . . . . . . . . . 4641 1 363 . 1 1 34 34 GLY HA2 H 1 3.9600 . . . . . . . . . . . 4641 1 364 . 1 1 34 34 GLY HA3 H 1 3.9600 . . . . . . . . . . . 4641 1 365 . 1 1 35 35 ALA N N 15 123.5270 . . . . . . . . . . . 4641 1 366 . 1 1 35 35 ALA H H 1 8.0960 . . . . . . . . . . . 4641 1 367 . 1 1 35 35 ALA C C 13 177.5140 . . . . . . . . . . . 4641 1 368 . 1 1 35 35 ALA CA C 13 52.1840 . . . . . . . . . . . 4641 1 369 . 1 1 35 35 ALA CB C 13 19.5980 . . . . . . . . . . . 4641 1 370 . 1 1 35 35 ALA HA H 1 4.3860 . . . . . . . . . . . 4641 1 371 . 1 1 35 35 ALA HB1 H 1 1.3610 . . . . . . . . . . . 4641 1 372 . 1 1 35 35 ALA HB2 H 1 1.3610 . . . . . . . . . . . 4641 1 373 . 1 1 35 35 ALA HB3 H 1 1.3610 . . . . . . . . . . . 4641 1 374 . 1 1 36 36 VAL N N 15 119.6620 . . . . . . . . . . . 4641 1 375 . 1 1 36 36 VAL H H 1 8.1440 . . . . . . . . . . . 4641 1 376 . 1 1 36 36 VAL C C 13 176.3320 . . . . . . . . . . . 4641 1 377 . 1 1 36 36 VAL CA C 13 62.2030 . . . . . . . . . . . 4641 1 378 . 1 1 36 36 VAL CB C 13 32.7780 . . . . . . . . . . . 4641 1 379 . 1 1 36 36 VAL CG2 C 13 21.3510 . . . . . . . . . . . 4641 1 380 . 1 1 36 36 VAL CG1 C 13 20.8260 . . . . . . . . . . . 4641 1 381 . 1 1 36 36 VAL HA H 1 4.1540 . . . . . . . . . . . 4641 1 382 . 1 1 36 36 VAL HB H 1 2.0190 . . . . . . . . . . . 4641 1 383 . 1 1 36 36 VAL HG11 H 1 0.9100 . . . . . . . . . . . 4641 1 384 . 1 1 36 36 VAL HG12 H 1 0.9100 . . . . . . . . . . . 4641 1 385 . 1 1 36 36 VAL HG13 H 1 0.9100 . . . . . . . . . . . 4641 1 386 . 1 1 36 36 VAL HG21 H 1 0.8620 . . . . . . . . . . . 4641 1 387 . 1 1 36 36 VAL HG22 H 1 0.8620 . . . . . . . . . . . 4641 1 388 . 1 1 36 36 VAL HG23 H 1 0.8620 . . . . . . . . . . . 4641 1 389 . 1 1 37 37 VAL N N 15 124.7500 . . . . . . . . . . . 4641 1 390 . 1 1 37 37 VAL H H 1 8.2860 . . . . . . . . . . . 4641 1 391 . 1 1 37 37 VAL C C 13 176.6500 . . . . . . . . . . . 4641 1 392 . 1 1 37 37 VAL CA C 13 62.2450 . . . . . . . . . . . 4641 1 393 . 1 1 37 37 VAL CB C 13 32.4880 . . . . . . . . . . . 4641 1 394 . 1 1 37 37 VAL CG1 C 13 21.2000 . . . . . . . . . . . 4641 1 395 . 1 1 37 37 VAL CG2 C 13 20.8000 . . . . . . . . . . . 4641 1 396 . 1 1 37 37 VAL HA H 1 4.1010 . . . . . . . . . . . 4641 1 397 . 1 1 37 37 VAL HB H 1 1.9960 . . . . . . . . . . . 4641 1 398 . 1 1 37 37 VAL HG11 H 1 0.9010 . . . . . . . . . . . 4641 1 399 . 1 1 37 37 VAL HG12 H 1 0.9010 . . . . . . . . . . . 4641 1 400 . 1 1 37 37 VAL HG13 H 1 0.9010 . . . . . . . . . . . 4641 1 401 . 1 1 37 37 VAL HG21 H 1 0.9010 . . . . . . . . . . . 4641 1 402 . 1 1 37 37 VAL HG22 H 1 0.9010 . . . . . . . . . . . 4641 1 403 . 1 1 37 37 VAL HG23 H 1 0.9010 . . . . . . . . . . . 4641 1 404 . 1 1 38 38 GLY N N 15 113.4920 . . . . . . . . . . . 4641 1 405 . 1 1 38 38 GLY H H 1 8.6030 . . . . . . . . . . . 4641 1 406 . 1 1 38 38 GLY C C 13 174.7260 . . . . . . . . . . . 4641 1 407 . 1 1 38 38 GLY CA C 13 45.4730 . . . . . . . . . . . 4641 1 408 . 1 1 38 38 GLY HA2 H 1 3.9600 . . . . . . . . . . . 4641 1 409 . 1 1 38 38 GLY HA3 H 1 3.9600 . . . . . . . . . . . 4641 1 410 . 1 1 39 39 GLY N N 15 108.3960 . . . . . . . . . . . 4641 1 411 . 1 1 39 39 GLY H H 1 8.2870 . . . . . . . . . . . 4641 1 412 . 1 1 39 39 GLY C C 13 174.2740 . . . . . . . . . . . 4641 1 413 . 1 1 39 39 GLY CA C 13 45.4420 . . . . . . . . . . . 4641 1 414 . 1 1 39 39 GLY HA2 H 1 3.9600 . . . . . . . . . . . 4641 1 415 . 1 1 39 39 GLY HA3 H 1 3.9600 . . . . . . . . . . . 4641 1 416 . 1 1 40 40 LEU N N 15 121.9010 . . . . . . . . . . . 4641 1 417 . 1 1 40 40 LEU H H 1 8.2050 . . . . . . . . . . . 4641 1 418 . 1 1 40 40 LEU C C 13 177.7940 . . . . . . . . . . . 4641 1 419 . 1 1 40 40 LEU CA C 13 54.7050 . . . . . . . . . . . 4641 1 420 . 1 1 40 40 LEU CB C 13 42.5740 . . . . . . . . . . . 4641 1 421 . 1 1 40 40 LEU CG C 13 26.9630 . . . . . . . . . . . 4641 1 422 . 1 1 40 40 LEU CD1 C 13 24.6640 . . . . . . . . . . . 4641 1 423 . 1 1 40 40 LEU CD2 C 13 23.5570 . . . . . . . . . . . 4641 1 424 . 1 1 40 40 LEU HA H 1 4.3940 . . . . . . . . . . . 4641 1 425 . 1 1 40 40 LEU HB2 H 1 1.6280 . . . . . . . . . . . 4641 1 426 . 1 1 40 40 LEU HB3 H 1 1.5560 . . . . . . . . . . . 4641 1 427 . 1 1 40 40 LEU HG H 1 1.5130 . . . . . . . . . . . 4641 1 428 . 1 1 40 40 LEU HD11 H 1 0.7000 . . . . . . . . . . . 4641 1 429 . 1 1 40 40 LEU HD12 H 1 0.7000 . . . . . . . . . . . 4641 1 430 . 1 1 40 40 LEU HD13 H 1 0.7000 . . . . . . . . . . . 4641 1 431 . 1 1 40 40 LEU HD21 H 1 0.6010 . . . . . . . . . . . 4641 1 432 . 1 1 40 40 LEU HD22 H 1 0.6010 . . . . . . . . . . . 4641 1 433 . 1 1 40 40 LEU HD23 H 1 0.6010 . . . . . . . . . . . 4641 1 434 . 1 1 41 41 GLY N N 15 109.8470 . . . . . . . . . . . 4641 1 435 . 1 1 41 41 GLY H H 1 8.5310 . . . . . . . . . . . 4641 1 436 . 1 1 41 41 GLY C C 13 174.6030 . . . . . . . . . . . 4641 1 437 . 1 1 41 41 GLY CA C 13 46.2000 . . . . . . . . . . . 4641 1 438 . 1 1 41 41 GLY HA2 H 1 3.9600 . . . . . . . . . . . 4641 1 439 . 1 1 41 41 GLY HA3 H 1 3.8700 . . . . . . . . . . . 4641 1 440 . 1 1 42 42 GLY N N 15 108.9480 . . . . . . . . . . . 4641 1 441 . 1 1 42 42 GLY H H 1 8.3470 . . . . . . . . . . . 4641 1 442 . 1 1 42 42 GLY C C 13 173.7810 . . . . . . . . . . . 4641 1 443 . 1 1 42 42 GLY CA C 13 44.9910 . . . . . . . . . . . 4641 1 444 . 1 1 42 42 GLY HA2 H 1 3.9100 . . . . . . . . . . . 4641 1 445 . 1 1 42 42 GLY HA3 H 1 3.7450 . . . . . . . . . . . 4641 1 446 . 1 1 43 43 TYR N N 15 117.5570 . . . . . . . . . . . 4641 1 447 . 1 1 43 43 TYR H H 1 7.7510 . . . . . . . . . . . 4641 1 448 . 1 1 43 43 TYR C C 13 175.5280 . . . . . . . . . . . 4641 1 449 . 1 1 43 43 TYR CA C 13 57.8430 . . . . . . . . . . . 4641 1 450 . 1 1 43 43 TYR CB C 13 40.2080 . . . . . . . . . . . 4641 1 451 . 1 1 43 43 TYR HA H 1 4.4950 . . . . . . . . . . . 4641 1 452 . 1 1 43 43 TYR HB3 H 1 2.8780 . . . . . . . . . . . 4641 1 453 . 1 1 43 43 TYR HE1 H 1 6.6800 . . . . . . . . . . . 4641 1 454 . 1 1 43 43 TYR HD1 H 1 6.8490 . . . . . . . . . . . 4641 1 455 . 1 1 43 43 TYR CD1 C 13 132.7300 . . . . . . . . . . . 4641 1 456 . 1 1 43 43 TYR CE1 C 13 117.8600 . . . . . . . . . . . 4641 1 457 . 1 1 44 44 MET N N 15 120.8900 . . . . . . . . . . . 4641 1 458 . 1 1 44 44 MET H H 1 9.0270 . . . . . . . . . . . 4641 1 459 . 1 1 44 44 MET C C 13 173.0750 . . . . . . . . . . . 4641 1 460 . 1 1 44 44 MET CA C 13 53.5650 . . . . . . . . . . . 4641 1 461 . 1 1 44 44 MET CB C 13 34.5610 . . . . . . . . . . . 4641 1 462 . 1 1 44 44 MET CG C 13 32.2240 . . . . . . . . . . . 4641 1 463 . 1 1 44 44 MET HA H 1 4.5460 . . . . . . . . . . . 4641 1 464 . 1 1 44 44 MET HB2 H 1 1.5580 . . . . . . . . . . . 4641 1 465 . 1 1 44 44 MET HB3 H 1 0.9110 . . . . . . . . . . . 4641 1 466 . 1 1 44 44 MET HG2 H 1 2.2230 . . . . . . . . . . . 4641 1 467 . 1 1 44 44 MET HG3 H 1 2.2230 . . . . . . . . . . . 4641 1 468 . 1 1 44 44 MET CE C 13 17.1730 . . . . . . . . . . . 4641 1 469 . 1 1 44 44 MET HE1 H 1 2.0010 . . . . . . . . . . . 4641 1 470 . 1 1 44 44 MET HE2 H 1 2.0010 . . . . . . . . . . . 4641 1 471 . 1 1 44 44 MET HE3 H 1 2.0010 . . . . . . . . . . . 4641 1 472 . 1 1 45 45 LEU N N 15 121.3680 . . . . . . . . . . . 4641 1 473 . 1 1 45 45 LEU H H 1 8.0890 . . . . . . . . . . . 4641 1 474 . 1 1 45 45 LEU C C 13 178.1480 . . . . . . . . . . . 4641 1 475 . 1 1 45 45 LEU CA C 13 53.2270 . . . . . . . . . . . 4641 1 476 . 1 1 45 45 LEU CB C 13 43.7050 . . . . . . . . . . . 4641 1 477 . 1 1 45 45 LEU CG C 13 26.2130 . . . . . . . . . . . 4641 1 478 . 1 1 45 45 LEU CD1 C 13 25.6640 . . . . . . . . . . . 4641 1 479 . 1 1 45 45 LEU CD2 C 13 21.8820 . . . . . . . . . . . 4641 1 480 . 1 1 45 45 LEU HA H 1 4.5240 . . . . . . . . . . . 4641 1 481 . 1 1 45 45 LEU HB2 H 1 1.5990 . . . . . . . . . . . 4641 1 482 . 1 1 45 45 LEU HB3 H 1 0.9790 . . . . . . . . . . . 4641 1 483 . 1 1 45 45 LEU HD11 H 1 0.6130 . . . . . . . . . . . 4641 1 484 . 1 1 45 45 LEU HD12 H 1 0.6130 . . . . . . . . . . . 4641 1 485 . 1 1 45 45 LEU HD13 H 1 0.6130 . . . . . . . . . . . 4641 1 486 . 1 1 45 45 LEU HD21 H 1 0.0220 . . . . . . . . . . . 4641 1 487 . 1 1 45 45 LEU HD22 H 1 0.0220 . . . . . . . . . . . 4641 1 488 . 1 1 45 45 LEU HD23 H 1 0.0220 . . . . . . . . . . . 4641 1 489 . 1 1 45 45 LEU HG H 1 1.3770 . . . . . . . . . . . 4641 1 490 . 1 1 46 46 GLY N N 15 114.9240 . . . . . . . . . . . 4641 1 491 . 1 1 46 46 GLY H H 1 9.3760 . . . . . . . . . . . 4641 1 492 . 1 1 46 46 GLY C C 13 172.8380 . . . . . . . . . . . 4641 1 493 . 1 1 46 46 GLY CA C 13 44.7360 . . . . . . . . . . . 4641 1 494 . 1 1 46 46 GLY HA2 H 1 4.4290 . . . . . . . . . . . 4641 1 495 . 1 1 46 46 GLY HA3 H 1 4.0160 . . . . . . . . . . . 4641 1 496 . 1 1 47 47 SER N N 15 113.7210 . . . . . . . . . . . 4641 1 497 . 1 1 47 47 SER H H 1 8.3870 . . . . . . . . . . . 4641 1 498 . 1 1 47 47 SER C C 13 175.0870 . . . . . . . . . . . 4641 1 499 . 1 1 47 47 SER CA C 13 58.3670 . . . . . . . . . . . 4641 1 500 . 1 1 47 47 SER CB C 13 63.9890 . . . . . . . . . . . 4641 1 501 . 1 1 47 47 SER HA H 1 4.4210 . . . . . . . . . . . 4641 1 502 . 1 1 47 47 SER HB2 H 1 3.9720 . . . . . . . . . . . 4641 1 503 . 1 1 47 47 SER HB3 H 1 3.9100 . . . . . . . . . . . 4641 1 504 . 1 1 48 48 ALA N N 15 125.5540 . . . . . . . . . . . 4641 1 505 . 1 1 48 48 ALA H H 1 8.7710 . . . . . . . . . . . 4641 1 506 . 1 1 48 48 ALA C C 13 177.4560 . . . . . . . . . . . 4641 1 507 . 1 1 48 48 ALA CA C 13 53.0090 . . . . . . . . . . . 4641 1 508 . 1 1 48 48 ALA CB C 13 18.4940 . . . . . . . . . . . 4641 1 509 . 1 1 48 48 ALA HA H 1 4.4440 . . . . . . . . . . . 4641 1 510 . 1 1 48 48 ALA HB1 H 1 1.2880 . . . . . . . . . . . 4641 1 511 . 1 1 48 48 ALA HB2 H 1 1.2880 . . . . . . . . . . . 4641 1 512 . 1 1 48 48 ALA HB3 H 1 1.2880 . . . . . . . . . . . 4641 1 513 . 1 1 49 49 MET N N 15 120.8330 . . . . . . . . . . . 4641 1 514 . 1 1 49 49 MET H H 1 8.7150 . . . . . . . . . . . 4641 1 515 . 1 1 49 49 MET C C 13 175.5270 . . . . . . . . . . . 4641 1 516 . 1 1 49 49 MET CA C 13 53.9210 . . . . . . . . . . . 4641 1 517 . 1 1 49 49 MET CB C 13 36.6630 . . . . . . . . . . . 4641 1 518 . 1 1 49 49 MET CG C 13 31.2610 . . . . . . . . . . . 4641 1 519 . 1 1 49 49 MET HA H 1 4.7370 . . . . . . . . . . . 4641 1 520 . 1 1 49 49 MET HB2 H 1 2.0310 . . . . . . . . . . . 4641 1 521 . 1 1 49 49 MET HB3 H 1 1.9930 . . . . . . . . . . . 4641 1 522 . 1 1 49 49 MET HG2 H 1 2.4850 . . . . . . . . . . . 4641 1 523 . 1 1 49 49 MET HG3 H 1 2.4350 . . . . . . . . . . . 4641 1 524 . 1 1 49 49 MET CE C 13 17.6510 . . . . . . . . . . . 4641 1 525 . 1 1 49 49 MET HE1 H 1 2.1690 . . . . . . . . . . . 4641 1 526 . 1 1 49 49 MET HE2 H 1 2.1690 . . . . . . . . . . . 4641 1 527 . 1 1 49 49 MET HE3 H 1 2.1690 . . . . . . . . . . . 4641 1 528 . 1 1 50 50 SER N N 15 116.2920 . . . . . . . . . . . 4641 1 529 . 1 1 50 50 SER H H 1 8.4470 . . . . . . . . . . . 4641 1 530 . 1 1 50 50 SER C C 13 174.4150 . . . . . . . . . . . 4641 1 531 . 1 1 50 50 SER CA C 13 58.5740 . . . . . . . . . . . 4641 1 532 . 1 1 50 50 SER CB C 13 63.1960 . . . . . . . . . . . 4641 1 533 . 1 1 50 50 SER HA H 1 4.3650 . . . . . . . . . . . 4641 1 534 . 1 1 50 50 SER HB2 H 1 3.8300 . . . . . . . . . . . 4641 1 535 . 1 1 50 50 SER HB3 H 1 3.7520 . . . . . . . . . . . 4641 1 536 . 1 1 51 51 ARG N N 15 126.6110 . . . . . . . . . . . 4641 1 537 . 1 1 51 51 ARG H H 1 8.6560 . . . . . . . . . . . 4641 1 538 . 1 1 51 51 ARG C C 13 174.7000 . . . . . . . . . . . 4641 1 539 . 1 1 51 51 ARG CA C 13 54.8000 . . . . . . . . . . . 4641 1 540 . 1 1 51 51 ARG CB C 13 29.7190 . . . . . . . . . . . 4641 1 541 . 1 1 51 51 ARG HA H 1 4.4300 . . . . . . . . . . . 4641 1 542 . 1 1 51 51 ARG HB2 H 1 1.7440 . . . . . . . . . . . 4641 1 543 . 1 1 51 51 ARG NE N 15 115.0400 . . . . . . . . . . . 4641 1 544 . 1 1 51 51 ARG HE H 1 7.0840 . . . . . . . . . . . 4641 1 545 . 1 1 52 52 PRO C C 13 175.6380 . . . . . . . . . . . 4641 1 546 . 1 1 52 52 PRO CA C 13 62.3690 . . . . . . . . . . . 4641 1 547 . 1 1 52 52 PRO CB C 13 32.3770 . . . . . . . . . . . 4641 1 548 . 1 1 52 52 PRO CG C 13 27.3750 . . . . . . . . . . . 4641 1 549 . 1 1 52 52 PRO HA H 1 4.4400 . . . . . . . . . . . 4641 1 550 . 1 1 52 52 PRO HB2 H 1 2.3010 . . . . . . . . . . . 4641 1 551 . 1 1 52 52 PRO HB3 H 1 1.7530 . . . . . . . . . . . 4641 1 552 . 1 1 52 52 PRO CD C 13 50.6090 . . . . . . . . . . . 4641 1 553 . 1 1 52 52 PRO HD2 H 1 3.9450 . . . . . . . . . . . 4641 1 554 . 1 1 52 52 PRO HD3 H 1 3.9450 . . . . . . . . . . . 4641 1 555 . 1 1 52 52 PRO HG2 H 1 2.0580 . . . . . . . . . . . 4641 1 556 . 1 1 52 52 PRO HG3 H 1 2.0360 . . . . . . . . . . . 4641 1 557 . 1 1 53 53 ILE N N 15 122.5050 . . . . . . . . . . . 4641 1 558 . 1 1 53 53 ILE H H 1 8.6600 . . . . . . . . . . . 4641 1 559 . 1 1 53 53 ILE C C 13 175.2000 . . . . . . . . . . . 4641 1 560 . 1 1 53 53 ILE CA C 13 60.9130 . . . . . . . . . . . 4641 1 561 . 1 1 53 53 ILE CB C 13 36.2550 . . . . . . . . . . . 4641 1 562 . 1 1 53 53 ILE CG1 C 13 27.2570 . . . . . . . . . . . 4641 1 563 . 1 1 53 53 ILE CG2 C 13 17.4830 . . . . . . . . . . . 4641 1 564 . 1 1 53 53 ILE CD1 C 13 11.3790 . . . . . . . . . . . 4641 1 565 . 1 1 53 53 ILE HA H 1 4.1510 . . . . . . . . . . . 4641 1 566 . 1 1 53 53 ILE HB H 1 1.9190 . . . . . . . . . . . 4641 1 567 . 1 1 53 53 ILE HG21 H 1 0.7370 . . . . . . . . . . . 4641 1 568 . 1 1 53 53 ILE HG22 H 1 0.7370 . . . . . . . . . . . 4641 1 569 . 1 1 53 53 ILE HG23 H 1 0.7370 . . . . . . . . . . . 4641 1 570 . 1 1 53 53 ILE HG12 H 1 1.5910 . . . . . . . . . . . 4641 1 571 . 1 1 53 53 ILE HG13 H 1 1.3920 . . . . . . . . . . . 4641 1 572 . 1 1 53 53 ILE HD11 H 1 0.9020 . . . . . . . . . . . 4641 1 573 . 1 1 53 53 ILE HD12 H 1 0.9020 . . . . . . . . . . . 4641 1 574 . 1 1 53 53 ILE HD13 H 1 0.9020 . . . . . . . . . . . 4641 1 575 . 1 1 54 54 ILE N N 15 126.7620 . . . . . . . . . . . 4641 1 576 . 1 1 54 54 ILE H H 1 6.4440 . . . . . . . . . . . 4641 1 577 . 1 1 54 54 ILE C C 13 173.2600 . . . . . . . . . . . 4641 1 578 . 1 1 54 54 ILE CA C 13 58.8000 . . . . . . . . . . . 4641 1 579 . 1 1 54 54 ILE CB C 13 39.3930 . . . . . . . . . . . 4641 1 580 . 1 1 54 54 ILE CG1 C 13 26.7140 . . . . . . . . . . . 4641 1 581 . 1 1 54 54 ILE CG2 C 13 17.3170 . . . . . . . . . . . 4641 1 582 . 1 1 54 54 ILE HA H 1 3.9290 . . . . . . . . . . . 4641 1 583 . 1 1 54 54 ILE HB H 1 0.8680 . . . . . . . . . . . 4641 1 584 . 1 1 54 54 ILE HG21 H 1 -0.0300 . . . . . . . . . . . 4641 1 585 . 1 1 54 54 ILE HG22 H 1 -0.0300 . . . . . . . . . . . 4641 1 586 . 1 1 54 54 ILE HG23 H 1 -0.0300 . . . . . . . . . . . 4641 1 587 . 1 1 54 54 ILE HG12 H 1 0.9070 . . . . . . . . . . . 4641 1 588 . 1 1 54 54 ILE HG13 H 1 0.7760 . . . . . . . . . . . 4641 1 589 . 1 1 54 54 ILE CD1 C 13 12.5800 . . . . . . . . . . . 4641 1 590 . 1 1 54 54 ILE HD11 H 1 0.4770 . . . . . . . . . . . 4641 1 591 . 1 1 54 54 ILE HD12 H 1 0.4770 . . . . . . . . . . . 4641 1 592 . 1 1 54 54 ILE HD13 H 1 0.4770 . . . . . . . . . . . 4641 1 593 . 1 1 55 55 HIS N N 15 121.8900 . . . . . . . . . . . 4641 1 594 . 1 1 55 55 HIS H H 1 8.2430 . . . . . . . . . . . 4641 1 595 . 1 1 55 55 HIS C C 13 174.6900 . . . . . . . . . . . 4641 1 596 . 1 1 55 55 HIS CA C 13 54.0620 . . . . . . . . . . . 4641 1 597 . 1 1 55 55 HIS CB C 13 29.5110 . . . . . . . . . . . 4641 1 598 . 1 1 55 55 HIS HA H 1 4.9390 . . . . . . . . . . . 4641 1 599 . 1 1 55 55 HIS HB2 H 1 3.3180 . . . . . . . . . . . 4641 1 600 . 1 1 55 55 HIS HB3 H 1 2.9460 . . . . . . . . . . . 4641 1 601 . 1 1 55 55 HIS HE1 H 1 8.4890 . . . . . . . . . . . 4641 1 602 . 1 1 55 55 HIS HD2 H 1 7.2470 . . . . . . . . . . . 4641 1 603 . 1 1 55 55 HIS CE1 C 13 134.1600 . . . . . . . . . . . 4641 1 604 . 1 1 55 55 HIS CD2 C 13 119.5600 . . . . . . . . . . . 4641 1 605 . 1 1 56 56 PHE N N 15 124.0260 . . . . . . . . . . . 4641 1 606 . 1 1 56 56 PHE H H 1 10.3050 . . . . . . . . . . . 4641 1 607 . 1 1 56 56 PHE C C 13 176.7610 . . . . . . . . . . . 4641 1 608 . 1 1 56 56 PHE CA C 13 59.3850 . . . . . . . . . . . 4641 1 609 . 1 1 56 56 PHE CB C 13 41.4670 . . . . . . . . . . . 4641 1 610 . 1 1 56 56 PHE HA H 1 4.3540 . . . . . . . . . . . 4641 1 611 . 1 1 56 56 PHE HB2 H 1 3.3580 . . . . . . . . . . . 4641 1 612 . 1 1 56 56 PHE HB3 H 1 2.8040 . . . . . . . . . . . 4641 1 613 . 1 1 56 56 PHE HD1 H 1 7.3352 . . . . . . . . . . . 4641 1 614 . 1 1 56 56 PHE HE1 H 1 6.8970 . . . . . . . . . . . 4641 1 615 . 1 1 56 56 PHE HZ H 1 6.6700 . . . . . . . . . . . 4641 1 616 . 1 1 56 56 PHE CD1 C 13 131.8000 . . . . . . . . . . . 4641 1 617 . 1 1 56 56 PHE CE1 C 13 131.1000 . . . . . . . . . . . 4641 1 618 . 1 1 56 56 PHE CZ C 13 129.0000 . . . . . . . . . . . 4641 1 619 . 1 1 57 57 GLY N N 15 108.6080 . . . . . . . . . . . 4641 1 620 . 1 1 57 57 GLY H H 1 9.0140 . . . . . . . . . . . 4641 1 621 . 1 1 57 57 GLY C C 13 173.5300 . . . . . . . . . . . 4641 1 622 . 1 1 57 57 GLY CA C 13 45.5110 . . . . . . . . . . . 4641 1 623 . 1 1 57 57 GLY HA2 H 1 4.1910 . . . . . . . . . . . 4641 1 624 . 1 1 57 57 GLY HA3 H 1 3.8220 . . . . . . . . . . . 4641 1 625 . 1 1 58 58 SER N N 15 111.7460 . . . . . . . . . . . 4641 1 626 . 1 1 58 58 SER H H 1 7.3260 . . . . . . . . . . . 4641 1 627 . 1 1 58 58 SER C C 13 173.9060 . . . . . . . . . . . 4641 1 628 . 1 1 58 58 SER CA C 13 56.5590 . . . . . . . . . . . 4641 1 629 . 1 1 58 58 SER CB C 13 65.7440 . . . . . . . . . . . 4641 1 630 . 1 1 58 58 SER HA H 1 4.8060 . . . . . . . . . . . 4641 1 631 . 1 1 58 58 SER HB2 H 1 4.1220 . . . . . . . . . . . 4641 1 632 . 1 1 58 58 SER HB3 H 1 3.9340 . . . . . . . . . . . 4641 1 633 . 1 1 59 59 ASP N N 15 124.4200 . . . . . . . . . . . 4641 1 634 . 1 1 59 59 ASP H H 1 9.0490 . . . . . . . . . . . 4641 1 635 . 1 1 59 59 ASP C C 13 178.5720 . . . . . . . . . . . 4641 1 636 . 1 1 59 59 ASP CA C 13 57.5360 . . . . . . . . . . . 4641 1 637 . 1 1 59 59 ASP CB C 13 40.6690 . . . . . . . . . . . 4641 1 638 . 1 1 59 59 ASP HA H 1 4.5060 . . . . . . . . . . . 4641 1 639 . 1 1 59 59 ASP HB3 H 1 2.7550 . . . . . . . . . . . 4641 1 640 . 1 1 60 60 TYR N N 15 118.8880 . . . . . . . . . . . 4641 1 641 . 1 1 60 60 TYR H H 1 8.5900 . . . . . . . . . . . 4641 1 642 . 1 1 60 60 TYR C C 13 177.9880 . . . . . . . . . . . 4641 1 643 . 1 1 60 60 TYR CA C 13 61.2880 . . . . . . . . . . . 4641 1 644 . 1 1 60 60 TYR CB C 13 38.1960 . . . . . . . . . . . 4641 1 645 . 1 1 60 60 TYR HA H 1 4.2090 . . . . . . . . . . . 4641 1 646 . 1 1 60 60 TYR HB2 H 1 3.2650 . . . . . . . . . . . 4641 1 647 . 1 1 60 60 TYR HB3 H 1 2.8510 . . . . . . . . . . . 4641 1 648 . 1 1 60 60 TYR HD1 H 1 7.0690 . . . . . . . . . . . 4641 1 649 . 1 1 60 60 TYR HE1 H 1 6.7640 . . . . . . . . . . . 4641 1 650 . 1 1 60 60 TYR CD1 C 13 133.0200 . . . . . . . . . . . 4641 1 651 . 1 1 60 60 TYR CE1 C 13 117.6900 . . . . . . . . . . . 4641 1 652 . 1 1 61 61 GLU N N 15 119.1180 . . . . . . . . . . . 4641 1 653 . 1 1 61 61 GLU H H 1 7.7460 . . . . . . . . . . . 4641 1 654 . 1 1 61 61 GLU C C 13 177.6320 . . . . . . . . . . . 4641 1 655 . 1 1 61 61 GLU CA C 13 59.8550 . . . . . . . . . . . 4641 1 656 . 1 1 61 61 GLU CB C 13 30.0550 . . . . . . . . . . . 4641 1 657 . 1 1 61 61 GLU CG C 13 38.2430 . . . . . . . . . . . 4641 1 658 . 1 1 61 61 GLU HA H 1 3.5860 . . . . . . . . . . . 4641 1 659 . 1 1 61 61 GLU HB2 H 1 1.9770 . . . . . . . . . . . 4641 1 660 . 1 1 61 61 GLU HB3 H 1 1.5670 . . . . . . . . . . . 4641 1 661 . 1 1 61 61 GLU HG2 H 1 2.2640 . . . . . . . . . . . 4641 1 662 . 1 1 61 61 GLU HG3 H 1 1.8780 . . . . . . . . . . . 4641 1 663 . 1 1 62 62 ASP N N 15 119.8860 . . . . . . . . . . . 4641 1 664 . 1 1 62 62 ASP H H 1 8.2260 . . . . . . . . . . . 4641 1 665 . 1 1 62 62 ASP C C 13 179.2710 . . . . . . . . . . . 4641 1 666 . 1 1 62 62 ASP CA C 13 58.4740 . . . . . . . . . . . 4641 1 667 . 1 1 62 62 ASP CB C 13 40.3770 . . . . . . . . . . . 4641 1 668 . 1 1 62 62 ASP HA H 1 4.6890 . . . . . . . . . . . 4641 1 669 . 1 1 62 62 ASP HB2 H 1 3.0310 . . . . . . . . . . . 4641 1 670 . 1 1 62 62 ASP HB3 H 1 2.8780 . . . . . . . . . . . 4641 1 671 . 1 1 63 63 ARG N N 15 120.4570 . . . . . . . . . . . 4641 1 672 . 1 1 63 63 ARG H H 1 8.2070 . . . . . . . . . . . 4641 1 673 . 1 1 63 63 ARG C C 13 177.6930 . . . . . . . . . . . 4641 1 674 . 1 1 63 63 ARG CA C 13 59.6270 . . . . . . . . . . . 4641 1 675 . 1 1 63 63 ARG CB C 13 29.9470 . . . . . . . . . . . 4641 1 676 . 1 1 63 63 ARG CG C 13 27.8080 . . . . . . . . . . . 4641 1 677 . 1 1 63 63 ARG CD C 13 43.5200 . . . . . . . . . . . 4641 1 678 . 1 1 63 63 ARG HA H 1 4.0220 . . . . . . . . . . . 4641 1 679 . 1 1 63 63 ARG HB3 H 1 1.9170 . . . . . . . . . . . 4641 1 680 . 1 1 63 63 ARG HG2 H 1 1.7560 . . . . . . . . . . . 4641 1 681 . 1 1 63 63 ARG HG3 H 1 1.5470 . . . . . . . . . . . 4641 1 682 . 1 1 63 63 ARG HD2 H 1 3.2220 . . . . . . . . . . . 4641 1 683 . 1 1 63 63 ARG HD3 H 1 3.2220 . . . . . . . . . . . 4641 1 684 . 1 1 63 63 ARG NE N 15 115.3300 . . . . . . . . . . . 4641 1 685 . 1 1 63 63 ARG HE H 1 7.5100 . . . . . . . . . . . 4641 1 686 . 1 1 64 64 TYR N N 15 121.2120 . . . . . . . . . . . 4641 1 687 . 1 1 64 64 TYR H H 1 8.3310 . . . . . . . . . . . 4641 1 688 . 1 1 64 64 TYR C C 13 179.5750 . . . . . . . . . . . 4641 1 689 . 1 1 64 64 TYR CA C 13 62.1350 . . . . . . . . . . . 4641 1 690 . 1 1 64 64 TYR CB C 13 38.1680 . . . . . . . . . . . 4641 1 691 . 1 1 64 64 TYR HA H 1 3.8390 . . . . . . . . . . . 4641 1 692 . 1 1 64 64 TYR HB2 H 1 2.8800 . . . . . . . . . . . 4641 1 693 . 1 1 64 64 TYR HB3 H 1 2.6160 . . . . . . . . . . . 4641 1 694 . 1 1 64 64 TYR HD1 H 1 6.9500 . . . . . . . . . . . 4641 1 695 . 1 1 64 64 TYR HE1 H 1 6.8640 . . . . . . . . . . . 4641 1 696 . 1 1 64 64 TYR CD1 C 13 133.1500 . . . . . . . . . . . 4641 1 697 . 1 1 64 64 TYR CE1 C 13 117.8000 . . . . . . . . . . . 4641 1 698 . 1 1 65 65 TYR N N 15 120.5070 . . . . . . . . . . . 4641 1 699 . 1 1 65 65 TYR H H 1 8.9830 . . . . . . . . . . . 4641 1 700 . 1 1 65 65 TYR C C 13 177.0620 . . . . . . . . . . . 4641 1 701 . 1 1 65 65 TYR CA C 13 62.9090 . . . . . . . . . . . 4641 1 702 . 1 1 65 65 TYR CB C 13 38.1430 . . . . . . . . . . . 4641 1 703 . 1 1 65 65 TYR HA H 1 4.1270 . . . . . . . . . . . 4641 1 704 . 1 1 65 65 TYR HB2 H 1 3.5580 . . . . . . . . . . . 4641 1 705 . 1 1 65 65 TYR HB3 H 1 3.2680 . . . . . . . . . . . 4641 1 706 . 1 1 65 65 TYR HD1 H 1 7.5440 . . . . . . . . . . . 4641 1 707 . 1 1 65 65 TYR HE1 H 1 7.0080 . . . . . . . . . . . 4641 1 708 . 1 1 65 65 TYR CD1 C 13 133.3000 . . . . . . . . . . . 4641 1 709 . 1 1 65 65 TYR CE1 C 13 117.8900 . . . . . . . . . . . 4641 1 710 . 1 1 66 66 ARG N N 15 117.9860 . . . . . . . . . . . 4641 1 711 . 1 1 66 66 ARG H H 1 7.9450 . . . . . . . . . . . 4641 1 712 . 1 1 66 66 ARG C C 13 179.5460 . . . . . . . . . . . 4641 1 713 . 1 1 66 66 ARG CA C 13 59.8170 . . . . . . . . . . . 4641 1 714 . 1 1 66 66 ARG CB C 13 29.9210 . . . . . . . . . . . 4641 1 715 . 1 1 66 66 ARG CG C 13 28.3130 . . . . . . . . . . . 4641 1 716 . 1 1 66 66 ARG CD C 13 43.2790 . . . . . . . . . . . 4641 1 717 . 1 1 66 66 ARG HA H 1 3.9360 . . . . . . . . . . . 4641 1 718 . 1 1 66 66 ARG HB2 H 1 2.0860 . . . . . . . . . . . 4641 1 719 . 1 1 66 66 ARG HB3 H 1 1.9710 . . . . . . . . . . . 4641 1 720 . 1 1 66 66 ARG HG2 H 1 2.0410 . . . . . . . . . . . 4641 1 721 . 1 1 66 66 ARG HG3 H 1 1.7530 . . . . . . . . . . . 4641 1 722 . 1 1 66 66 ARG HD2 H 1 3.3820 . . . . . . . . . . . 4641 1 723 . 1 1 66 66 ARG HD3 H 1 3.2920 . . . . . . . . . . . 4641 1 724 . 1 1 66 66 ARG NE N 15 114.3000 . . . . . . . . . . . 4641 1 725 . 1 1 66 66 ARG HE H 1 7.5090 . . . . . . . . . . . 4641 1 726 . 1 1 67 67 GLU N N 15 116.5370 . . . . . . . . . . . 4641 1 727 . 1 1 67 67 GLU H H 1 8.0870 . . . . . . . . . . . 4641 1 728 . 1 1 67 67 GLU C C 13 177.3870 . . . . . . . . . . . 4641 1 729 . 1 1 67 67 GLU CA C 13 57.9770 . . . . . . . . . . . 4641 1 730 . 1 1 67 67 GLU CB C 13 29.9860 . . . . . . . . . . . 4641 1 731 . 1 1 67 67 GLU CG C 13 36.3810 . . . . . . . . . . . 4641 1 732 . 1 1 67 67 GLU HA H 1 4.0740 . . . . . . . . . . . 4641 1 733 . 1 1 67 67 GLU HB3 H 1 1.8890 . . . . . . . . . . . 4641 1 734 . 1 1 67 67 GLU HG2 H 1 2.4330 . . . . . . . . . . . 4641 1 735 . 1 1 67 67 GLU HG3 H 1 2.2150 . . . . . . . . . . . 4641 1 736 . 1 1 68 68 ASN N N 15 114.6860 . . . . . . . . . . . 4641 1 737 . 1 1 68 68 ASN H H 1 7.5830 . . . . . . . . . . . 4641 1 738 . 1 1 68 68 ASN C C 13 175.5900 . . . . . . . . . . . 4641 1 739 . 1 1 68 68 ASN CA C 13 54.7110 . . . . . . . . . . . 4641 1 740 . 1 1 68 68 ASN CB C 13 41.1080 . . . . . . . . . . . 4641 1 741 . 1 1 68 68 ASN HA H 1 4.3400 . . . . . . . . . . . 4641 1 742 . 1 1 68 68 ASN HB2 H 1 2.1650 . . . . . . . . . . . 4641 1 743 . 1 1 68 68 ASN HB3 H 1 2.1650 . . . . . . . . . . . 4641 1 744 . 1 1 68 68 ASN ND2 N 15 117.1470 . . . . . . . . . . . 4641 1 745 . 1 1 68 68 ASN HD21 H 1 6.8000 . . . . . . . . . . . 4641 1 746 . 1 1 68 68 ASN HD22 H 1 6.5800 . . . . . . . . . . . 4641 1 747 . 1 1 69 69 MET N N 15 119.3800 . . . . . . . . . . . 4641 1 748 . 1 1 69 69 MET H H 1 8.0570 . . . . . . . . . . . 4641 1 749 . 1 1 69 69 MET C C 13 176.2620 . . . . . . . . . . . 4641 1 750 . 1 1 69 69 MET CA C 13 59.1600 . . . . . . . . . . . 4641 1 751 . 1 1 69 69 MET CB C 13 30.2550 . . . . . . . . . . . 4641 1 752 . 1 1 69 69 MET CG C 13 30.6290 . . . . . . . . . . . 4641 1 753 . 1 1 69 69 MET HA H 1 3.4380 . . . . . . . . . . . 4641 1 754 . 1 1 69 69 MET HB2 H 1 1.6620 . . . . . . . . . . . 4641 1 755 . 1 1 69 69 MET HB3 H 1 1.3430 . . . . . . . . . . . 4641 1 756 . 1 1 69 69 MET HG2 H 1 2.5420 . . . . . . . . . . . 4641 1 757 . 1 1 69 69 MET HG3 H 1 2.1630 . . . . . . . . . . . 4641 1 758 . 1 1 69 69 MET CE C 13 17.5980 . . . . . . . . . . . 4641 1 759 . 1 1 69 69 MET HE1 H 1 2.0390 . . . . . . . . . . . 4641 1 760 . 1 1 69 69 MET HE2 H 1 2.0390 . . . . . . . . . . . 4641 1 761 . 1 1 69 69 MET HE3 H 1 2.0390 . . . . . . . . . . . 4641 1 762 . 1 1 70 70 HIS N N 15 115.5890 . . . . . . . . . . . 4641 1 763 . 1 1 70 70 HIS H H 1 8.0330 . . . . . . . . . . . 4641 1 764 . 1 1 70 70 HIS C C 13 175.3370 . . . . . . . . . . . 4641 1 765 . 1 1 70 70 HIS CA C 13 57.5150 . . . . . . . . . . . 4641 1 766 . 1 1 70 70 HIS CB C 13 27.9390 . . . . . . . . . . . 4641 1 767 . 1 1 70 70 HIS HA H 1 4.2290 . . . . . . . . . . . 4641 1 768 . 1 1 70 70 HIS HB2 H 1 3.2760 . . . . . . . . . . . 4641 1 769 . 1 1 70 70 HIS HB3 H 1 3.0220 . . . . . . . . . . . 4641 1 770 . 1 1 70 70 HIS HE1 H 1 8.3690 . . . . . . . . . . . 4641 1 771 . 1 1 70 70 HIS HD2 H 1 7.2050 . . . . . . . . . . . 4641 1 772 . 1 1 70 70 HIS CE1 C 13 134.1600 . . . . . . . . . . . 4641 1 773 . 1 1 70 70 HIS CD2 C 13 118.7000 . . . . . . . . . . . 4641 1 774 . 1 1 71 71 ARG N N 15 118.6190 . . . . . . . . . . . 4641 1 775 . 1 1 71 71 ARG H H 1 7.5490 . . . . . . . . . . . 4641 1 776 . 1 1 71 71 ARG C C 13 176.5230 . . . . . . . . . . . 4641 1 777 . 1 1 71 71 ARG CA C 13 56.2530 . . . . . . . . . . . 4641 1 778 . 1 1 71 71 ARG CB C 13 30.5650 . . . . . . . . . . . 4641 1 779 . 1 1 71 71 ARG CG C 13 27.3100 . . . . . . . . . . . 4641 1 780 . 1 1 71 71 ARG HA H 1 4.1390 . . . . . . . . . . . 4641 1 781 . 1 1 71 71 ARG HB2 H 1 2.1150 . . . . . . . . . . . 4641 1 782 . 1 1 71 71 ARG HB3 H 1 1.3920 . . . . . . . . . . . 4641 1 783 . 1 1 71 71 ARG HG2 H 1 1.3810 . . . . . . . . . . . 4641 1 784 . 1 1 71 71 ARG HG3 H 1 0.2920 . . . . . . . . . . . 4641 1 785 . 1 1 71 71 ARG CD C 13 43.8610 . . . . . . . . . . . 4641 1 786 . 1 1 71 71 ARG HD2 H 1 3.2540 . . . . . . . . . . . 4641 1 787 . 1 1 71 71 ARG HD3 H 1 3.0900 . . . . . . . . . . . 4641 1 788 . 1 1 71 71 ARG NE N 15 114.4400 . . . . . . . . . . . 4641 1 789 . 1 1 71 71 ARG HE H 1 7.5330 . . . . . . . . . . . 4641 1 790 . 1 1 72 72 TYR N N 15 121.2200 . . . . . . . . . . . 4641 1 791 . 1 1 72 72 TYR H H 1 7.4670 . . . . . . . . . . . 4641 1 792 . 1 1 72 72 TYR C C 13 172.9000 . . . . . . . . . . . 4641 1 793 . 1 1 72 72 TYR CA C 13 52.6270 . . . . . . . . . . . 4641 1 794 . 1 1 72 72 TYR CB C 13 34.9260 . . . . . . . . . . . 4641 1 795 . 1 1 72 72 TYR HA H 1 5.0050 . . . . . . . . . . . 4641 1 796 . 1 1 72 72 TYR HB3 H 1 3.1140 . . . . . . . . . . . 4641 1 797 . 1 1 72 72 TYR HD1 H 1 6.8740 . . . . . . . . . . . 4641 1 798 . 1 1 72 72 TYR HE1 H 1 6.5570 . . . . . . . . . . . 4641 1 799 . 1 1 72 72 TYR CD1 C 13 65.4100 . . . . . . . . . . . 4641 1 800 . 1 1 72 72 TYR CE1 C 13 73.1000 . . . . . . . . . . . 4641 1 801 . 1 1 73 73 PRO C C 13 175.1200 . . . . . . . . . . . 4641 1 802 . 1 1 73 73 PRO CA C 13 63.6970 . . . . . . . . . . . 4641 1 803 . 1 1 73 73 PRO CB C 13 32.2400 . . . . . . . . . . . 4641 1 804 . 1 1 73 73 PRO CG C 13 27.2360 . . . . . . . . . . . 4641 1 805 . 1 1 73 73 PRO CD C 13 49.8300 . . . . . . . . . . . 4641 1 806 . 1 1 73 73 PRO HA H 1 4.3690 . . . . . . . . . . . 4641 1 807 . 1 1 73 73 PRO HB2 H 1 2.4310 . . . . . . . . . . . 4641 1 808 . 1 1 73 73 PRO HB3 H 1 1.6500 . . . . . . . . . . . 4641 1 809 . 1 1 73 73 PRO HG2 H 1 1.5240 . . . . . . . . . . . 4641 1 810 . 1 1 73 73 PRO HG3 H 1 1.2360 . . . . . . . . . . . 4641 1 811 . 1 1 73 73 PRO HD2 H 1 3.1710 . . . . . . . . . . . 4641 1 812 . 1 1 73 73 PRO HD3 H 1 3.0670 . . . . . . . . . . . 4641 1 813 . 1 1 74 74 ASN N N 15 116.5360 . . . . . . . . . . . 4641 1 814 . 1 1 74 74 ASN H H 1 8.6490 . . . . . . . . . . . 4641 1 815 . 1 1 74 74 ASN C C 13 172.8480 . . . . . . . . . . . 4641 1 816 . 1 1 74 74 ASN CA C 13 52.0070 . . . . . . . . . . . 4641 1 817 . 1 1 74 74 ASN CB C 13 38.3860 . . . . . . . . . . . 4641 1 818 . 1 1 74 74 ASN HA H 1 4.7090 . . . . . . . . . . . 4641 1 819 . 1 1 74 74 ASN HB2 H 1 3.6170 . . . . . . . . . . . 4641 1 820 . 1 1 74 74 ASN HB3 H 1 2.4570 . . . . . . . . . . . 4641 1 821 . 1 1 74 74 ASN ND2 N 15 109.2240 . . . . . . . . . . . 4641 1 822 . 1 1 74 74 ASN HD21 H 1 7.4760 . . . . . . . . . . . 4641 1 823 . 1 1 74 74 ASN HD22 H 1 6.7850 . . . . . . . . . . . 4641 1 824 . 1 1 75 75 GLN N N 15 114.1190 . . . . . . . . . . . 4641 1 825 . 1 1 75 75 GLN H H 1 7.3110 . . . . . . . . . . . 4641 1 826 . 1 1 75 75 GLN C C 13 174.8960 . . . . . . . . . . . 4641 1 827 . 1 1 75 75 GLN CA C 13 54.0910 . . . . . . . . . . . 4641 1 828 . 1 1 75 75 GLN CB C 13 33.3790 . . . . . . . . . . . 4641 1 829 . 1 1 75 75 GLN CG C 13 33.9540 . . . . . . . . . . . 4641 1 830 . 1 1 75 75 GLN HA H 1 4.5450 . . . . . . . . . . . 4641 1 831 . 1 1 75 75 GLN HB2 H 1 1.9960 . . . . . . . . . . . 4641 1 832 . 1 1 75 75 GLN HB3 H 1 1.7180 . . . . . . . . . . . 4641 1 833 . 1 1 75 75 GLN HG2 H 1 2.1650 . . . . . . . . . . . 4641 1 834 . 1 1 75 75 GLN HG3 H 1 2.0310 . . . . . . . . . . . 4641 1 835 . 1 1 75 75 GLN NE2 N 15 112.5530 . . . . . . . . . . . 4641 1 836 . 1 1 75 75 GLN HE21 H 1 7.9220 . . . . . . . . . . . 4641 1 837 . 1 1 75 75 GLN HE22 H 1 6.9820 . . . . . . . . . . . 4641 1 838 . 1 1 76 76 VAL N N 15 112.7480 . . . . . . . . . . . 4641 1 839 . 1 1 76 76 VAL H H 1 8.5130 . . . . . . . . . . . 4641 1 840 . 1 1 76 76 VAL C C 13 174.0820 . . . . . . . . . . . 4641 1 841 . 1 1 76 76 VAL CA C 13 58.6100 . . . . . . . . . . . 4641 1 842 . 1 1 76 76 VAL CB C 13 33.8710 . . . . . . . . . . . 4641 1 843 . 1 1 76 76 VAL CG1 C 13 23.6120 . . . . . . . . . . . 4641 1 844 . 1 1 76 76 VAL CG2 C 13 18.5320 . . . . . . . . . . . 4641 1 845 . 1 1 76 76 VAL HA H 1 4.9340 . . . . . . . . . . . 4641 1 846 . 1 1 76 76 VAL HB H 1 2.6170 . . . . . . . . . . . 4641 1 847 . 1 1 76 76 VAL HG11 H 1 0.9470 . . . . . . . . . . . 4641 1 848 . 1 1 76 76 VAL HG12 H 1 0.9470 . . . . . . . . . . . 4641 1 849 . 1 1 76 76 VAL HG13 H 1 0.9470 . . . . . . . . . . . 4641 1 850 . 1 1 76 76 VAL HG21 H 1 0.7670 . . . . . . . . . . . 4641 1 851 . 1 1 76 76 VAL HG22 H 1 0.7670 . . . . . . . . . . . 4641 1 852 . 1 1 76 76 VAL HG23 H 1 0.7670 . . . . . . . . . . . 4641 1 853 . 1 1 77 77 TYR N N 15 121.4260 . . . . . . . . . . . 4641 1 854 . 1 1 77 77 TYR H H 1 8.5080 . . . . . . . . . . . 4641 1 855 . 1 1 77 77 TYR C C 13 174.4530 . . . . . . . . . . . 4641 1 856 . 1 1 77 77 TYR CA C 13 56.8960 . . . . . . . . . . . 4641 1 857 . 1 1 77 77 TYR CB C 13 42.0730 . . . . . . . . . . . 4641 1 858 . 1 1 77 77 TYR HA H 1 5.5480 . . . . . . . . . . . 4641 1 859 . 1 1 77 77 TYR HB2 H 1 2.6040 . . . . . . . . . . . 4641 1 860 . 1 1 77 77 TYR HB3 H 1 2.5760 . . . . . . . . . . . 4641 1 861 . 1 1 77 77 TYR HD1 H 1 6.9170 . . . . . . . . . . . 4641 1 862 . 1 1 77 77 TYR HE1 H 1 6.7700 . . . . . . . . . . . 4641 1 863 . 1 1 77 77 TYR CD1 C 13 132.6600 . . . . . . . . . . . 4641 1 864 . 1 1 77 77 TYR CE1 C 13 118.2200 . . . . . . . . . . . 4641 1 865 . 1 1 78 78 TYR N N 15 111.1720 . . . . . . . . . . . 4641 1 866 . 1 1 78 78 TYR H H 1 8.5960 . . . . . . . . . . . 4641 1 867 . 1 1 78 78 TYR CA C 13 55.6920 . . . . . . . . . . . 4641 1 868 . 1 1 78 78 TYR CB C 13 40.3640 . . . . . . . . . . . 4641 1 869 . 1 1 78 78 TYR HA H 1 4.7910 . . . . . . . . . . . 4641 1 870 . 1 1 78 78 TYR HB3 H 1 2.6450 . . . . . . . . . . . 4641 1 871 . 1 1 78 78 TYR HD1 H 1 7.0240 . . . . . . . . . . . 4641 1 872 . 1 1 78 78 TYR HE1 H 1 6.4770 . . . . . . . . . . . 4641 1 873 . 1 1 78 78 TYR CD1 C 13 133.6000 . . . . . . . . . . . 4641 1 874 . 1 1 78 78 TYR CE1 C 13 117.8000 . . . . . . . . . . . 4641 1 875 . 1 1 79 79 ARG CA C 13 53.0700 . . . . . . . . . . . 4641 1 876 . 1 1 79 79 ARG CB C 13 30.1010 . . . . . . . . . . . 4641 1 877 . 1 1 79 79 ARG CD C 13 43.2140 . . . . . . . . . . . 4641 1 878 . 1 1 79 79 ARG CG C 13 27.4520 . . . . . . . . . . . 4641 1 879 . 1 1 79 79 ARG HA H 1 4.6300 . . . . . . . . . . . 4641 1 880 . 1 1 79 79 ARG HB2 H 1 1.6500 . . . . . . . . . . . 4641 1 881 . 1 1 79 79 ARG HB3 H 1 1.6500 . . . . . . . . . . . 4641 1 882 . 1 1 79 79 ARG HG2 H 1 1.1600 . . . . . . . . . . . 4641 1 883 . 1 1 79 79 ARG HG3 H 1 1.1600 . . . . . . . . . . . 4641 1 884 . 1 1 79 79 ARG HD2 H 1 2.8800 . . . . . . . . . . . 4641 1 885 . 1 1 79 79 ARG HD3 H 1 2.8800 . . . . . . . . . . . 4641 1 886 . 1 1 79 79 ARG NE N 15 115.9100 . . . . . . . . . . . 4641 1 887 . 1 1 79 79 ARG HE H 1 6.7100 . . . . . . . . . . . 4641 1 888 . 1 1 80 80 PRO CA C 13 63.4110 . . . . . . . . . . . 4641 1 889 . 1 1 80 80 PRO CB C 13 34.4260 . . . . . . . . . . . 4641 1 890 . 1 1 80 80 PRO CG C 13 24.6710 . . . . . . . . . . . 4641 1 891 . 1 1 80 80 PRO HA H 1 4.8240 . . . . . . . . . . . 4641 1 892 . 1 1 80 80 PRO HB2 H 1 2.3340 . . . . . . . . . . . 4641 1 893 . 1 1 80 80 PRO HB3 H 1 2.1560 . . . . . . . . . . . 4641 1 894 . 1 1 80 80 PRO CD C 13 50.1950 . . . . . . . . . . . 4641 1 895 . 1 1 80 80 PRO HD2 H 1 3.5960 . . . . . . . . . . . 4641 1 896 . 1 1 80 80 PRO HD3 H 1 3.4980 . . . . . . . . . . . 4641 1 897 . 1 1 80 80 PRO HG2 H 1 1.9490 . . . . . . . . . . . 4641 1 898 . 1 1 80 80 PRO HG3 H 1 1.8430 . . . . . . . . . . . 4641 1 899 . 1 1 81 81 MET N N 15 120.9030 . . . . . . . . . . . 4641 1 900 . 1 1 81 81 MET H H 1 8.9790 . . . . . . . . . . . 4641 1 901 . 1 1 81 81 MET CA C 13 57.0810 . . . . . . . . . . . 4641 1 902 . 1 1 81 81 MET CB C 13 29.5340 . . . . . . . . . . . 4641 1 903 . 1 1 81 81 MET HA H 1 4.7000 . . . . . . . . . . . 4641 1 904 . 1 1 81 81 MET HB2 H 1 1.7960 . . . . . . . . . . . 4641 1 905 . 1 1 81 81 MET HB3 H 1 1.5350 . . . . . . . . . . . 4641 1 906 . 1 1 81 81 MET HG2 H 1 3.3150 . . . . . . . . . . . 4641 1 907 . 1 1 81 81 MET HG3 H 1 3.1980 . . . . . . . . . . . 4641 1 908 . 1 1 81 81 MET CE C 13 17.0340 . . . . . . . . . . . 4641 1 909 . 1 1 81 81 MET HE1 H 1 1.6120 . . . . . . . . . . . 4641 1 910 . 1 1 81 81 MET HE2 H 1 1.6120 . . . . . . . . . . . 4641 1 911 . 1 1 81 81 MET HE3 H 1 1.6120 . . . . . . . . . . . 4641 1 912 . 1 1 82 82 ASP N N 15 119.8590 . . . . . . . . . . . 4641 1 913 . 1 1 82 82 ASP H H 1 8.1860 . . . . . . . . . . . 4641 1 914 . 1 1 82 82 ASP C C 13 173.8500 . . . . . . . . . . . 4641 1 915 . 1 1 82 82 ASP CA C 13 53.1610 . . . . . . . . . . . 4641 1 916 . 1 1 82 82 ASP CB C 13 38.7210 . . . . . . . . . . . 4641 1 917 . 1 1 82 82 ASP HA H 1 4.5800 . . . . . . . . . . . 4641 1 918 . 1 1 82 82 ASP HB2 H 1 2.5900 . . . . . . . . . . . 4641 1 919 . 1 1 82 82 ASP HB3 H 1 2.5340 . . . . . . . . . . . 4641 1 920 . 1 1 83 83 GLU N N 15 120.2370 . . . . . . . . . . . 4641 1 921 . 1 1 83 83 GLU H H 1 7.8170 . . . . . . . . . . . 4641 1 922 . 1 1 83 83 GLU C C 13 174.4000 . . . . . . . . . . . 4641 1 923 . 1 1 83 83 GLU CA C 13 53.8000 . . . . . . . . . . . 4641 1 924 . 1 1 83 83 GLU CB C 13 33.9000 . . . . . . . . . . . 4641 1 925 . 1 1 83 83 GLU HA H 1 4.4300 . . . . . . . . . . . 4641 1 926 . 1 1 83 83 GLU HB2 H 1 1.7060 . . . . . . . . . . . 4641 1 927 . 1 1 83 83 GLU HB3 H 1 1.6410 . . . . . . . . . . . 4641 1 928 . 1 1 84 84 TYR C C 13 173.8000 . . . . . . . . . . . 4641 1 929 . 1 1 84 84 TYR CA C 13 58.2000 . . . . . . . . . . . 4641 1 930 . 1 1 84 84 TYR CB C 13 41.3000 . . . . . . . . . . . 4641 1 931 . 1 1 84 84 TYR HA H 1 4.5200 . . . . . . . . . . . 4641 1 932 . 1 1 84 84 TYR HB2 H 1 2.6120 . . . . . . . . . . . 4641 1 933 . 1 1 84 84 TYR HB3 H 1 2.6120 . . . . . . . . . . . 4641 1 934 . 1 1 85 85 SER C C 13 173.0090 . . . . . . . . . . . 4641 1 935 . 1 1 85 85 SER CA C 13 58.4750 . . . . . . . . . . . 4641 1 936 . 1 1 85 85 SER CB C 13 64.1130 . . . . . . . . . . . 4641 1 937 . 1 1 85 85 SER HA H 1 4.4790 . . . . . . . . . . . 4641 1 938 . 1 1 85 85 SER HB2 H 1 3.8430 . . . . . . . . . . . 4641 1 939 . 1 1 86 86 ASN N N 15 122.0850 . . . . . . . . . . . 4641 1 940 . 1 1 86 86 ASN H H 1 8.2460 . . . . . . . . . . . 4641 1 941 . 1 1 86 86 ASN C C 13 174.2900 . . . . . . . . . . . 4641 1 942 . 1 1 86 86 ASN CA C 13 52.3320 . . . . . . . . . . . 4641 1 943 . 1 1 86 86 ASN CB C 13 39.9240 . . . . . . . . . . . 4641 1 944 . 1 1 86 86 ASN HA H 1 4.7730 . . . . . . . . . . . 4641 1 945 . 1 1 86 86 ASN HB2 H 1 3.1260 . . . . . . . . . . . 4641 1 946 . 1 1 86 86 ASN HB3 H 1 3.0470 . . . . . . . . . . . 4641 1 947 . 1 1 86 86 ASN ND2 N 15 113.3060 . . . . . . . . . . . 4641 1 948 . 1 1 86 86 ASN HD21 H 1 7.5630 . . . . . . . . . . . 4641 1 949 . 1 1 86 86 ASN HD22 H 1 6.7290 . . . . . . . . . . . 4641 1 950 . 1 1 87 87 GLN N N 15 120.3490 . . . . . . . . . . . 4641 1 951 . 1 1 87 87 GLN H H 1 8.6830 . . . . . . . . . . . 4641 1 952 . 1 1 87 87 GLN C C 13 176.9100 . . . . . . . . . . . 4641 1 953 . 1 1 87 87 GLN CA C 13 59.5350 . . . . . . . . . . . 4641 1 954 . 1 1 87 87 GLN CB C 13 28.9220 . . . . . . . . . . . 4641 1 955 . 1 1 87 87 GLN HA H 1 3.5230 . . . . . . . . . . . 4641 1 956 . 1 1 87 87 GLN HB3 H 1 2.9360 . . . . . . . . . . . 4641 1 957 . 1 1 87 87 GLN CG C 13 33.4190 . . . . . . . . . . . 4641 1 958 . 1 1 87 87 GLN NE2 N 15 110.8650 . . . . . . . . . . . 4641 1 959 . 1 1 87 87 GLN HE21 H 1 6.9560 . . . . . . . . . . . 4641 1 960 . 1 1 88 88 ASN N N 15 116.9120 . . . . . . . . . . . 4641 1 961 . 1 1 88 88 ASN H H 1 8.3820 . . . . . . . . . . . 4641 1 962 . 1 1 88 88 ASN C C 13 177.9000 . . . . . . . . . . . 4641 1 963 . 1 1 88 88 ASN CA C 13 56.4210 . . . . . . . . . . . 4641 1 964 . 1 1 88 88 ASN CB C 13 37.9010 . . . . . . . . . . . 4641 1 965 . 1 1 88 88 ASN HA H 1 4.2500 . . . . . . . . . . . 4641 1 966 . 1 1 88 88 ASN HB2 H 1 2.7470 . . . . . . . . . . . 4641 1 967 . 1 1 88 88 ASN HB3 H 1 2.6730 . . . . . . . . . . . 4641 1 968 . 1 1 88 88 ASN ND2 N 15 112.7370 . . . . . . . . . . . 4641 1 969 . 1 1 88 88 ASN HD21 H 1 6.9600 . . . . . . . . . . . 4641 1 970 . 1 1 88 88 ASN HD22 H 1 7.5940 . . . . . . . . . . . 4641 1 971 . 1 1 89 89 ASN N N 15 118.4740 . . . . . . . . . . . 4641 1 972 . 1 1 89 89 ASN H H 1 8.6430 . . . . . . . . . . . 4641 1 973 . 1 1 89 89 ASN C C 13 177.2000 . . . . . . . . . . . 4641 1 974 . 1 1 89 89 ASN CA C 13 55.8410 . . . . . . . . . . . 4641 1 975 . 1 1 89 89 ASN CB C 13 37.8770 . . . . . . . . . . . 4641 1 976 . 1 1 89 89 ASN HA H 1 4.5590 . . . . . . . . . . . 4641 1 977 . 1 1 89 89 ASN HB2 H 1 3.0760 . . . . . . . . . . . 4641 1 978 . 1 1 89 89 ASN HB3 H 1 2.9310 . . . . . . . . . . . 4641 1 979 . 1 1 89 89 ASN ND2 N 15 112.2210 . . . . . . . . . . . 4641 1 980 . 1 1 89 89 ASN HD21 H 1 7.6920 . . . . . . . . . . . 4641 1 981 . 1 1 89 89 ASN HD22 H 1 7.1290 . . . . . . . . . . . 4641 1 982 . 1 1 90 90 PHE C C 13 177.3230 . . . . . . . . . . . 4641 1 983 . 1 1 90 90 PHE HA H 1 2.9950 . . . . . . . . . . . 4641 1 984 . 1 1 90 90 PHE CA C 13 61.9150 . . . . . . . . . . . 4641 1 985 . 1 1 90 90 PHE CB C 13 37.1100 . . . . . . . . . . . 4641 1 986 . 1 1 90 90 PHE HB2 H 1 3.1130 . . . . . . . . . . . 4641 1 987 . 1 1 90 90 PHE HB3 H 1 2.7330 . . . . . . . . . . . 4641 1 988 . 1 1 90 90 PHE HE1 H 1 7.6700 . . . . . . . . . . . 4641 1 989 . 1 1 90 90 PHE HD1 H 1 7.3000 . . . . . . . . . . . 4641 1 990 . 1 1 90 90 PHE HZ H 1 6.6900 . . . . . . . . . . . 4641 1 991 . 1 1 90 90 PHE CZ C 13 131.2000 . . . . . . . . . . . 4641 1 992 . 1 1 90 90 PHE CE1 C 13 130.5000 . . . . . . . . . . . 4641 1 993 . 1 1 90 90 PHE CD1 C 13 131.8000 . . . . . . . . . . . 4641 1 994 . 1 1 91 91 VAL N N 15 120.2350 . . . . . . . . . . . 4641 1 995 . 1 1 91 91 VAL H H 1 8.9580 . . . . . . . . . . . 4641 1 996 . 1 1 91 91 VAL CA C 13 67.6780 . . . . . . . . . . . 4641 1 997 . 1 1 91 91 VAL CB C 13 31.7700 . . . . . . . . . . . 4641 1 998 . 1 1 91 91 VAL CG1 C 13 24.6270 . . . . . . . . . . . 4641 1 999 . 1 1 91 91 VAL CG2 C 13 21.8390 . . . . . . . . . . . 4641 1 1000 . 1 1 91 91 VAL HA H 1 3.5170 . . . . . . . . . . . 4641 1 1001 . 1 1 91 91 VAL HB H 1 2.2440 . . . . . . . . . . . 4641 1 1002 . 1 1 91 91 VAL HG11 H 1 1.0760 . . . . . . . . . . . 4641 1 1003 . 1 1 91 91 VAL HG12 H 1 1.0760 . . . . . . . . . . . 4641 1 1004 . 1 1 91 91 VAL HG13 H 1 1.0760 . . . . . . . . . . . 4641 1 1005 . 1 1 91 91 VAL HG21 H 1 1.0380 . . . . . . . . . . . 4641 1 1006 . 1 1 91 91 VAL HG22 H 1 1.0380 . . . . . . . . . . . 4641 1 1007 . 1 1 91 91 VAL HG23 H 1 1.0380 . . . . . . . . . . . 4641 1 1008 . 1 1 92 92 HIS N N 15 116.7900 . . . . . . . . . . . 4641 1 1009 . 1 1 92 92 HIS H H 1 8.3600 . . . . . . . . . . . 4641 1 1010 . 1 1 92 92 HIS CA C 13 59.4220 . . . . . . . . . . . 4641 1 1011 . 1 1 92 92 HIS CB C 13 28.5260 . . . . . . . . . . . 4641 1 1012 . 1 1 92 92 HIS HA H 1 4.3270 . . . . . . . . . . . 4641 1 1013 . 1 1 92 92 HIS HB2 H 1 3.3890 . . . . . . . . . . . 4641 1 1014 . 1 1 92 92 HIS HB3 H 1 3.3470 . . . . . . . . . . . 4641 1 1015 . 1 1 92 92 HIS HE1 H 1 8.6200 . . . . . . . . . . . 4641 1 1016 . 1 1 92 92 HIS HD2 H 1 7.3990 . . . . . . . . . . . 4641 1 1017 . 1 1 92 92 HIS CE1 C 13 134.1600 . . . . . . . . . . . 4641 1 1018 . 1 1 92 92 HIS CD2 C 13 119.7000 . . . . . . . . . . . 4641 1 1019 . 1 1 93 93 ASP N N 15 118.6590 . . . . . . . . . . . 4641 1 1020 . 1 1 93 93 ASP H H 1 7.7400 . . . . . . . . . . . 4641 1 1021 . 1 1 93 93 ASP C C 13 176.0600 . . . . . . . . . . . 4641 1 1022 . 1 1 93 93 ASP CA C 13 57.4310 . . . . . . . . . . . 4641 1 1023 . 1 1 93 93 ASP CB C 13 41.1230 . . . . . . . . . . . 4641 1 1024 . 1 1 93 93 ASP HA H 1 4.5580 . . . . . . . . . . . 4641 1 1025 . 1 1 93 93 ASP HB2 H 1 2.9610 . . . . . . . . . . . 4641 1 1026 . 1 1 93 93 ASP HB3 H 1 2.8590 . . . . . . . . . . . 4641 1 1027 . 1 1 94 94 CYS N N 15 119.2160 . . . . . . . . . . . 4641 1 1028 . 1 1 94 94 CYS H H 1 8.0740 . . . . . . . . . . . 4641 1 1029 . 1 1 94 94 CYS C C 13 177.3690 . . . . . . . . . . . 4641 1 1030 . 1 1 94 94 CYS CA C 13 58.5880 . . . . . . . . . . . 4641 1 1031 . 1 1 94 94 CYS CB C 13 40.4930 . . . . . . . . . . . 4641 1 1032 . 1 1 94 94 CYS HA H 1 4.7500 . . . . . . . . . . . 4641 1 1033 . 1 1 94 94 CYS HB2 H 1 3.3670 . . . . . . . . . . . 4641 1 1034 . 1 1 94 94 CYS HB3 H 1 2.9850 . . . . . . . . . . . 4641 1 1035 . 1 1 95 95 VAL N N 15 124.9840 . . . . . . . . . . . 4641 1 1036 . 1 1 95 95 VAL H H 1 9.1530 . . . . . . . . . . . 4641 1 1037 . 1 1 95 95 VAL C C 13 177.2310 . . . . . . . . . . . 4641 1 1038 . 1 1 95 95 VAL CA C 13 66.1580 . . . . . . . . . . . 4641 1 1039 . 1 1 95 95 VAL CB C 13 32.0130 . . . . . . . . . . . 4641 1 1040 . 1 1 95 95 VAL CG1 C 13 23.5220 . . . . . . . . . . . 4641 1 1041 . 1 1 95 95 VAL CG2 C 13 21.7800 . . . . . . . . . . . 4641 1 1042 . 1 1 95 95 VAL HA H 1 3.6680 . . . . . . . . . . . 4641 1 1043 . 1 1 95 95 VAL HB H 1 2.1790 . . . . . . . . . . . 4641 1 1044 . 1 1 95 95 VAL HG11 H 1 1.0870 . . . . . . . . . . . 4641 1 1045 . 1 1 95 95 VAL HG12 H 1 1.0870 . . . . . . . . . . . 4641 1 1046 . 1 1 95 95 VAL HG13 H 1 1.0870 . . . . . . . . . . . 4641 1 1047 . 1 1 95 95 VAL HG21 H 1 0.9730 . . . . . . . . . . . 4641 1 1048 . 1 1 95 95 VAL HG22 H 1 0.9730 . . . . . . . . . . . 4641 1 1049 . 1 1 95 95 VAL HG23 H 1 0.9730 . . . . . . . . . . . 4641 1 1050 . 1 1 96 96 ASN N N 15 116.2820 . . . . . . . . . . . 4641 1 1051 . 1 1 96 96 ASN H H 1 7.6460 . . . . . . . . . . . 4641 1 1052 . 1 1 96 96 ASN C C 13 178.5750 . . . . . . . . . . . 4641 1 1053 . 1 1 96 96 ASN CA C 13 56.4570 . . . . . . . . . . . 4641 1 1054 . 1 1 96 96 ASN CB C 13 38.7910 . . . . . . . . . . . 4641 1 1055 . 1 1 96 96 ASN HA H 1 4.3230 . . . . . . . . . . . 4641 1 1056 . 1 1 96 96 ASN HB2 H 1 2.8760 . . . . . . . . . . . 4641 1 1057 . 1 1 96 96 ASN HB3 H 1 2.7960 . . . . . . . . . . . 4641 1 1058 . 1 1 96 96 ASN ND2 N 15 112.0750 . . . . . . . . . . . 4641 1 1059 . 1 1 96 96 ASN HD21 H 1 6.7800 . . . . . . . . . . . 4641 1 1060 . 1 1 96 96 ASN HD22 H 1 7.6640 . . . . . . . . . . . 4641 1 1061 . 1 1 97 97 ILE N N 15 118.8990 . . . . . . . . . . . 4641 1 1062 . 1 1 97 97 ILE H H 1 8.7160 . . . . . . . . . . . 4641 1 1063 . 1 1 97 97 ILE C C 13 177.7690 . . . . . . . . . . . 4641 1 1064 . 1 1 97 97 ILE CA C 13 62.2480 . . . . . . . . . . . 4641 1 1065 . 1 1 97 97 ILE CB C 13 36.6720 . . . . . . . . . . . 4641 1 1066 . 1 1 97 97 ILE HA H 1 3.7650 . . . . . . . . . . . 4641 1 1067 . 1 1 97 97 ILE CG1 C 13 27.5620 . . . . . . . . . . . 4641 1 1068 . 1 1 97 97 ILE CG2 C 13 18.4260 . . . . . . . . . . . 4641 1 1069 . 1 1 97 97 ILE CD1 C 13 11.6330 . . . . . . . . . . . 4641 1 1070 . 1 1 97 97 ILE HB H 1 1.5990 . . . . . . . . . . . 4641 1 1071 . 1 1 97 97 ILE HD11 H 1 0.4380 . . . . . . . . . . . 4641 1 1072 . 1 1 97 97 ILE HD12 H 1 0.4380 . . . . . . . . . . . 4641 1 1073 . 1 1 97 97 ILE HD13 H 1 0.4380 . . . . . . . . . . . 4641 1 1074 . 1 1 97 97 ILE HG12 H 1 0.8900 . . . . . . . . . . . 4641 1 1075 . 1 1 97 97 ILE HG13 H 1 0.8900 . . . . . . . . . . . 4641 1 1076 . 1 1 97 97 ILE HG21 H 1 0.2920 . . . . . . . . . . . 4641 1 1077 . 1 1 97 97 ILE HG22 H 1 0.2920 . . . . . . . . . . . 4641 1 1078 . 1 1 97 97 ILE HG23 H 1 0.2920 . . . . . . . . . . . 4641 1 1079 . 1 1 98 98 THR N N 15 118.2780 . . . . . . . . . . . 4641 1 1080 . 1 1 98 98 THR H H 1 8.1950 . . . . . . . . . . . 4641 1 1081 . 1 1 98 98 THR C C 13 177.4900 . . . . . . . . . . . 4641 1 1082 . 1 1 98 98 THR CA C 13 68.6990 . . . . . . . . . . . 4641 1 1083 . 1 1 98 98 THR CB C 13 68.1140 . . . . . . . . . . . 4641 1 1084 . 1 1 98 98 THR CG2 C 13 22.2120 . . . . . . . . . . . 4641 1 1085 . 1 1 98 98 THR HA H 1 4.0800 . . . . . . . . . . . 4641 1 1086 . 1 1 98 98 THR HB H 1 4.4940 . . . . . . . . . . . 4641 1 1087 . 1 1 98 98 THR HG21 H 1 1.4800 . . . . . . . . . . . 4641 1 1088 . 1 1 98 98 THR HG22 H 1 1.4800 . . . . . . . . . . . 4641 1 1089 . 1 1 98 98 THR HG23 H 1 1.4800 . . . . . . . . . . . 4641 1 1090 . 1 1 99 99 ILE N N 15 120.8740 . . . . . . . . . . . 4641 1 1091 . 1 1 99 99 ILE H H 1 8.4930 . . . . . . . . . . . 4641 1 1092 . 1 1 99 99 ILE C C 13 178.8810 . . . . . . . . . . . 4641 1 1093 . 1 1 99 99 ILE CA C 13 65.9960 . . . . . . . . . . . 4641 1 1094 . 1 1 99 99 ILE CB C 13 36.8840 . . . . . . . . . . . 4641 1 1095 . 1 1 99 99 ILE HA H 1 3.6860 . . . . . . . . . . . 4641 1 1096 . 1 1 99 99 ILE HB H 1 2.0770 . . . . . . . . . . . 4641 1 1097 . 1 1 99 99 ILE CG1 C 13 30.2220 . . . . . . . . . . . 4641 1 1098 . 1 1 99 99 ILE CD1 C 13 13.2150 . . . . . . . . . . . 4641 1 1099 . 1 1 99 99 ILE CG2 C 13 16.8090 . . . . . . . . . . . 4641 1 1100 . 1 1 99 99 ILE HG12 H 1 1.1290 . . . . . . . . . . . 4641 1 1101 . 1 1 99 99 ILE HG13 H 1 1.8670 . . . . . . . . . . . 4641 1 1102 . 1 1 99 99 ILE HG21 H 1 0.8800 . . . . . . . . . . . 4641 1 1103 . 1 1 99 99 ILE HG22 H 1 0.8800 . . . . . . . . . . . 4641 1 1104 . 1 1 99 99 ILE HG23 H 1 0.8800 . . . . . . . . . . . 4641 1 1105 . 1 1 99 99 ILE HD11 H 1 0.7790 . . . . . . . . . . . 4641 1 1106 . 1 1 99 99 ILE HD12 H 1 0.7790 . . . . . . . . . . . 4641 1 1107 . 1 1 99 99 ILE HD13 H 1 0.7790 . . . . . . . . . . . 4641 1 1108 . 1 1 100 100 LYS N N 15 123.2640 . . . . . . . . . . . 4641 1 1109 . 1 1 100 100 LYS H H 1 8.0610 . . . . . . . . . . . 4641 1 1110 . 1 1 100 100 LYS C C 13 178.9440 . . . . . . . . . . . 4641 1 1111 . 1 1 100 100 LYS CA C 13 59.9810 . . . . . . . . . . . 4641 1 1112 . 1 1 100 100 LYS CB C 13 32.2660 . . . . . . . . . . . 4641 1 1113 . 1 1 100 100 LYS CG C 13 24.6320 . . . . . . . . . . . 4641 1 1114 . 1 1 100 100 LYS CD C 13 29.1520 . . . . . . . . . . . 4641 1 1115 . 1 1 100 100 LYS CE C 13 41.6790 . . . . . . . . . . . 4641 1 1116 . 1 1 100 100 LYS HA H 1 4.0550 . . . . . . . . . . . 4641 1 1117 . 1 1 100 100 LYS HB3 H 1 1.9240 . . . . . . . . . . . 4641 1 1118 . 1 1 100 100 LYS HG2 H 1 1.4910 . . . . . . . . . . . 4641 1 1119 . 1 1 100 100 LYS HG3 H 1 1.3850 . . . . . . . . . . . 4641 1 1120 . 1 1 100 100 LYS HD2 H 1 1.6300 . . . . . . . . . . . 4641 1 1121 . 1 1 100 100 LYS HD3 H 1 1.6300 . . . . . . . . . . . 4641 1 1122 . 1 1 100 100 LYS HE2 H 1 2.9070 . . . . . . . . . . . 4641 1 1123 . 1 1 100 100 LYS HE3 H 1 2.9070 . . . . . . . . . . . 4641 1 1124 . 1 1 101 101 GLN N N 15 116.7470 . . . . . . . . . . . 4641 1 1125 . 1 1 101 101 GLN H H 1 8.4630 . . . . . . . . . . . 4641 1 1126 . 1 1 101 101 GLN C C 13 178.4380 . . . . . . . . . . . 4641 1 1127 . 1 1 101 101 GLN CA C 13 58.0220 . . . . . . . . . . . 4641 1 1128 . 1 1 101 101 GLN CB C 13 27.9360 . . . . . . . . . . . 4641 1 1129 . 1 1 101 101 GLN CG C 13 33.5820 . . . . . . . . . . . 4641 1 1130 . 1 1 101 101 GLN HA H 1 4.0460 . . . . . . . . . . . 4641 1 1131 . 1 1 101 101 GLN HB2 H 1 1.9760 . . . . . . . . . . . 4641 1 1132 . 1 1 101 101 GLN HB3 H 1 1.9090 . . . . . . . . . . . 4641 1 1133 . 1 1 101 101 GLN HG2 H 1 2.0650 . . . . . . . . . . . 4641 1 1134 . 1 1 101 101 GLN HG3 H 1 1.6500 . . . . . . . . . . . 4641 1 1135 . 1 1 101 101 GLN NE2 N 15 109.8710 . . . . . . . . . . . 4641 1 1136 . 1 1 101 101 GLN HE21 H 1 6.8240 . . . . . . . . . . . 4641 1 1137 . 1 1 101 101 GLN HE22 H 1 6.7140 . . . . . . . . . . . 4641 1 1138 . 1 1 102 102 HIS N N 15 119.0620 . . . . . . . . . . . 4641 1 1139 . 1 1 102 102 HIS H H 1 8.3750 . . . . . . . . . . . 4641 1 1140 . 1 1 102 102 HIS C C 13 177.9120 . . . . . . . . . . . 4641 1 1141 . 1 1 102 102 HIS CA C 13 59.2220 . . . . . . . . . . . 4641 1 1142 . 1 1 102 102 HIS CB C 13 31.4620 . . . . . . . . . . . 4641 1 1143 . 1 1 102 102 HIS HA H 1 4.5930 . . . . . . . . . . . 4641 1 1144 . 1 1 102 102 HIS HB2 H 1 3.3450 . . . . . . . . . . . 4641 1 1145 . 1 1 102 102 HIS HB3 H 1 3.1900 . . . . . . . . . . . 4641 1 1146 . 1 1 102 102 HIS HE1 H 1 7.9300 . . . . . . . . . . . 4641 1 1147 . 1 1 102 102 HIS HD2 H 1 6.9800 . . . . . . . . . . . 4641 1 1148 . 1 1 102 102 HIS CE1 C 13 134.1600 . . . . . . . . . . . 4641 1 1149 . 1 1 102 102 HIS CD2 C 13 118.0500 . . . . . . . . . . . 4641 1 1150 . 1 1 103 103 THR N N 15 114.1850 . . . . . . . . . . . 4641 1 1151 . 1 1 103 103 THR H H 1 8.3610 . . . . . . . . . . . 4641 1 1152 . 1 1 103 103 THR C C 13 176.2240 . . . . . . . . . . . 4641 1 1153 . 1 1 103 103 THR CA C 13 65.7940 . . . . . . . . . . . 4641 1 1154 . 1 1 103 103 THR CB C 13 68.9120 . . . . . . . . . . . 4641 1 1155 . 1 1 103 103 THR CG2 C 13 21.3080 . . . . . . . . . . . 4641 1 1156 . 1 1 103 103 THR HA H 1 4.1320 . . . . . . . . . . . 4641 1 1157 . 1 1 103 103 THR HB H 1 4.4550 . . . . . . . . . . . 4641 1 1158 . 1 1 103 103 THR HG21 H 1 1.2540 . . . . . . . . . . . 4641 1 1159 . 1 1 103 103 THR HG22 H 1 1.2540 . . . . . . . . . . . 4641 1 1160 . 1 1 103 103 THR HG23 H 1 1.2540 . . . . . . . . . . . 4641 1 1161 . 1 1 104 104 VAL N N 15 122.7070 . . . . . . . . . . . 4641 1 1162 . 1 1 104 104 VAL H H 1 8.0490 . . . . . . . . . . . 4641 1 1163 . 1 1 104 104 VAL C C 13 178.1380 . . . . . . . . . . . 4641 1 1164 . 1 1 104 104 VAL CA C 13 65.5880 . . . . . . . . . . . 4641 1 1165 . 1 1 104 104 VAL CB C 13 31.9680 . . . . . . . . . . . 4641 1 1166 . 1 1 104 104 VAL CG1 C 13 21.8800 . . . . . . . . . . . 4641 1 1167 . 1 1 104 104 VAL CG2 C 13 20.9750 . . . . . . . . . . . 4641 1 1168 . 1 1 104 104 VAL HA H 1 3.9570 . . . . . . . . . . . 4641 1 1169 . 1 1 104 104 VAL HB H 1 2.2300 . . . . . . . . . . . 4641 1 1170 . 1 1 104 104 VAL HG11 H 1 1.0580 . . . . . . . . . . . 4641 1 1171 . 1 1 104 104 VAL HG12 H 1 1.0580 . . . . . . . . . . . 4641 1 1172 . 1 1 104 104 VAL HG13 H 1 1.0580 . . . . . . . . . . . 4641 1 1173 . 1 1 104 104 VAL HG21 H 1 0.9710 . . . . . . . . . . . 4641 1 1174 . 1 1 104 104 VAL HG22 H 1 0.9710 . . . . . . . . . . . 4641 1 1175 . 1 1 104 104 VAL HG23 H 1 0.9710 . . . . . . . . . . . 4641 1 1176 . 1 1 105 105 THR N N 15 115.0830 . . . . . . . . . . . 4641 1 1177 . 1 1 105 105 THR H H 1 8.1310 . . . . . . . . . . . 4641 1 1178 . 1 1 105 105 THR C C 13 176.3710 . . . . . . . . . . . 4641 1 1179 . 1 1 105 105 THR CA C 13 64.8250 . . . . . . . . . . . 4641 1 1180 . 1 1 105 105 THR CB C 13 69.3780 . . . . . . . . . . . 4641 1 1181 . 1 1 105 105 THR CG2 C 13 21.8520 . . . . . . . . . . . 4641 1 1182 . 1 1 105 105 THR HA H 1 4.1770 . . . . . . . . . . . 4641 1 1183 . 1 1 105 105 THR HB H 1 4.2800 . . . . . . . . . . . 4641 1 1184 . 1 1 105 105 THR HG21 H 1 1.2930 . . . . . . . . . . . 4641 1 1185 . 1 1 105 105 THR HG22 H 1 1.2930 . . . . . . . . . . . 4641 1 1186 . 1 1 105 105 THR HG23 H 1 1.2930 . . . . . . . . . . . 4641 1 1187 . 1 1 106 106 THR N N 15 114.4480 . . . . . . . . . . . 4641 1 1188 . 1 1 106 106 THR H H 1 8.0240 . . . . . . . . . . . 4641 1 1189 . 1 1 106 106 THR C C 13 176.7450 . . . . . . . . . . . 4641 1 1190 . 1 1 106 106 THR CA C 13 64.4270 . . . . . . . . . . . 4641 1 1191 . 1 1 106 106 THR CB C 13 68.8660 . . . . . . . . . . . 4641 1 1192 . 1 1 106 106 THR CG2 C 13 21.5290 . . . . . . . . . . . 4641 1 1193 . 1 1 106 106 THR HA H 1 4.1450 . . . . . . . . . . . 4641 1 1194 . 1 1 106 106 THR HB H 1 4.1290 . . . . . . . . . . . 4641 1 1195 . 1 1 106 106 THR HG21 H 1 0.9800 . . . . . . . . . . . 4641 1 1196 . 1 1 106 106 THR HG22 H 1 0.9800 . . . . . . . . . . . 4641 1 1197 . 1 1 106 106 THR HG23 H 1 0.9800 . . . . . . . . . . . 4641 1 1198 . 1 1 107 107 THR N N 15 117.6430 . . . . . . . . . . . 4641 1 1199 . 1 1 107 107 THR H H 1 8.2130 . . . . . . . . . . . 4641 1 1200 . 1 1 107 107 THR C C 13 177.3310 . . . . . . . . . . . 4641 1 1201 . 1 1 107 107 THR CA C 13 64.6540 . . . . . . . . . . . 4641 1 1202 . 1 1 107 107 THR CB C 13 68.9680 . . . . . . . . . . . 4641 1 1203 . 1 1 107 107 THR CG2 C 13 21.4360 . . . . . . . . . . . 4641 1 1204 . 1 1 107 107 THR HA H 1 4.3750 . . . . . . . . . . . 4641 1 1205 . 1 1 107 107 THR HB H 1 4.3670 . . . . . . . . . . . 4641 1 1206 . 1 1 107 107 THR HG21 H 1 1.3210 . . . . . . . . . . . 4641 1 1207 . 1 1 107 107 THR HG22 H 1 1.3210 . . . . . . . . . . . 4641 1 1208 . 1 1 107 107 THR HG23 H 1 1.3210 . . . . . . . . . . . 4641 1 1209 . 1 1 108 108 THR N N 15 116.1100 . . . . . . . . . . . 4641 1 1210 . 1 1 108 108 THR H H 1 7.8570 . . . . . . . . . . . 4641 1 1211 . 1 1 108 108 THR C C 13 175.0860 . . . . . . . . . . . 4641 1 1212 . 1 1 108 108 THR CA C 13 64.0770 . . . . . . . . . . . 4641 1 1213 . 1 1 108 108 THR CB C 13 69.0110 . . . . . . . . . . . 4641 1 1214 . 1 1 108 108 THR CG2 C 13 21.7430 . . . . . . . . . . . 4641 1 1215 . 1 1 108 108 THR HA H 1 4.2220 . . . . . . . . . . . 4641 1 1216 . 1 1 108 108 THR HB H 1 4.3090 . . . . . . . . . . . 4641 1 1217 . 1 1 108 108 THR HG21 H 1 1.2900 . . . . . . . . . . . 4641 1 1218 . 1 1 108 108 THR HG22 H 1 1.2900 . . . . . . . . . . . 4641 1 1219 . 1 1 108 108 THR HG23 H 1 1.2900 . . . . . . . . . . . 4641 1 1220 . 1 1 109 109 LYS N N 15 120.3000 . . . . . . . . . . . 4641 1 1221 . 1 1 109 109 LYS H H 1 7.6450 . . . . . . . . . . . 4641 1 1222 . 1 1 109 109 LYS C C 13 176.8230 . . . . . . . . . . . 4641 1 1223 . 1 1 109 109 LYS CA C 13 56.2830 . . . . . . . . . . . 4641 1 1224 . 1 1 109 109 LYS CB C 13 32.4180 . . . . . . . . . . . 4641 1 1225 . 1 1 109 109 LYS CG C 13 24.6320 . . . . . . . . . . . 4641 1 1226 . 1 1 109 109 LYS CD C 13 29.1560 . . . . . . . . . . . 4641 1 1227 . 1 1 109 109 LYS CE C 13 42.1320 . . . . . . . . . . . 4641 1 1228 . 1 1 109 109 LYS HA H 1 4.3920 . . . . . . . . . . . 4641 1 1229 . 1 1 109 109 LYS HB2 H 1 2.0030 . . . . . . . . . . . 4641 1 1230 . 1 1 109 109 LYS HB3 H 1 1.8510 . . . . . . . . . . . 4641 1 1231 . 1 1 109 109 LYS HG2 H 1 1.5010 . . . . . . . . . . . 4641 1 1232 . 1 1 109 109 LYS HG3 H 1 1.5010 . . . . . . . . . . . 4641 1 1233 . 1 1 109 109 LYS HD2 H 1 1.6800 . . . . . . . . . . . 4641 1 1234 . 1 1 109 109 LYS HD3 H 1 1.6800 . . . . . . . . . . . 4641 1 1235 . 1 1 109 109 LYS HE2 H 1 2.9750 . . . . . . . . . . . 4641 1 1236 . 1 1 109 109 LYS HE3 H 1 2.9750 . . . . . . . . . . . 4641 1 1237 . 1 1 110 110 GLY N N 15 108.2810 . . . . . . . . . . . 4641 1 1238 . 1 1 110 110 GLY H H 1 7.9970 . . . . . . . . . . . 4641 1 1239 . 1 1 110 110 GLY C C 13 174.2560 . . . . . . . . . . . 4641 1 1240 . 1 1 110 110 GLY CA C 13 45.3780 . . . . . . . . . . . 4641 1 1241 . 1 1 110 110 GLY HA2 H 1 4.1240 . . . . . . . . . . . 4641 1 1242 . 1 1 110 110 GLY HA3 H 1 3.8280 . . . . . . . . . . . 4641 1 1243 . 1 1 111 111 GLU N N 15 120.1000 . . . . . . . . . . . 4641 1 1244 . 1 1 111 111 GLU H H 1 7.5740 . . . . . . . . . . . 4641 1 1245 . 1 1 111 111 GLU C C 13 175.1340 . . . . . . . . . . . 4641 1 1246 . 1 1 111 111 GLU CA C 13 55.8750 . . . . . . . . . . . 4641 1 1247 . 1 1 111 111 GLU CB C 13 31.0870 . . . . . . . . . . . 4641 1 1248 . 1 1 111 111 GLU CG C 13 35.8500 . . . . . . . . . . . 4641 1 1249 . 1 1 111 111 GLU HA H 1 4.2510 . . . . . . . . . . . 4641 1 1250 . 1 1 111 111 GLU HB2 H 1 1.6090 . . . . . . . . . . . 4641 1 1251 . 1 1 111 111 GLU HB3 H 1 1.5790 . . . . . . . . . . . 4641 1 1252 . 1 1 111 111 GLU HG2 H 1 2.0770 . . . . . . . . . . . 4641 1 1253 . 1 1 111 111 GLU HG3 H 1 1.9580 . . . . . . . . . . . 4641 1 1254 . 1 1 112 112 ASN N N 15 119.6710 . . . . . . . . . . . 4641 1 1255 . 1 1 112 112 ASN H H 1 8.5020 . . . . . . . . . . . 4641 1 1256 . 1 1 112 112 ASN C C 13 173.8390 . . . . . . . . . . . 4641 1 1257 . 1 1 112 112 ASN CA C 13 52.6540 . . . . . . . . . . . 4641 1 1258 . 1 1 112 112 ASN CB C 13 40.5700 . . . . . . . . . . . 4641 1 1259 . 1 1 112 112 ASN HA H 1 4.6610 . . . . . . . . . . . 4641 1 1260 . 1 1 112 112 ASN HB2 H 1 2.6540 . . . . . . . . . . . 4641 1 1261 . 1 1 112 112 ASN HB3 H 1 2.6040 . . . . . . . . . . . 4641 1 1262 . 1 1 112 112 ASN ND2 N 15 113.1330 . . . . . . . . . . . 4641 1 1263 . 1 1 112 112 ASN HD21 H 1 7.5520 . . . . . . . . . . . 4641 1 1264 . 1 1 112 112 ASN HD22 H 1 6.7930 . . . . . . . . . . . 4641 1 1265 . 1 1 113 113 PHE N N 15 121.8200 . . . . . . . . . . . 4641 1 1266 . 1 1 113 113 PHE H H 1 8.7030 . . . . . . . . . . . 4641 1 1267 . 1 1 113 113 PHE C C 13 176.6810 . . . . . . . . . . . 4641 1 1268 . 1 1 113 113 PHE CA C 13 56.6610 . . . . . . . . . . . 4641 1 1269 . 1 1 113 113 PHE CB C 13 40.0190 . . . . . . . . . . . 4641 1 1270 . 1 1 113 113 PHE HA H 1 5.3090 . . . . . . . . . . . 4641 1 1271 . 1 1 113 113 PHE HB2 H 1 3.1520 . . . . . . . . . . . 4641 1 1272 . 1 1 113 113 PHE HB3 H 1 2.9460 . . . . . . . . . . . 4641 1 1273 . 1 1 113 113 PHE HD1 H 1 7.3500 . . . . . . . . . . . 4641 1 1274 . 1 1 113 113 PHE HE1 H 1 7.4600 . . . . . . . . . . . 4641 1 1275 . 1 1 113 113 PHE CE1 C 13 130.5000 . . . . . . . . . . . 4641 1 1276 . 1 1 113 113 PHE CD1 C 13 131.0000 . . . . . . . . . . . 4641 1 1277 . 1 1 113 113 PHE CZ C 13 131.3000 . . . . . . . . . . . 4641 1 1278 . 1 1 113 113 PHE HZ H 1 7.0700 . . . . . . . . . . . 4641 1 1279 . 1 1 114 114 THR N N 15 116.2100 . . . . . . . . . . . 4641 1 1280 . 1 1 114 114 THR H H 1 9.5990 . . . . . . . . . . . 4641 1 1281 . 1 1 114 114 THR C C 13 175.5600 . . . . . . . . . . . 4641 1 1282 . 1 1 114 114 THR CA C 13 60.3370 . . . . . . . . . . . 4641 1 1283 . 1 1 114 114 THR CB C 13 72.1620 . . . . . . . . . . . 4641 1 1284 . 1 1 114 114 THR CG2 C 13 21.6620 . . . . . . . . . . . 4641 1 1285 . 1 1 114 114 THR HA H 1 4.6210 . . . . . . . . . . . 4641 1 1286 . 1 1 114 114 THR HB H 1 4.8430 . . . . . . . . . . . 4641 1 1287 . 1 1 114 114 THR HG21 H 1 1.4410 . . . . . . . . . . . 4641 1 1288 . 1 1 114 114 THR HG22 H 1 1.4410 . . . . . . . . . . . 4641 1 1289 . 1 1 114 114 THR HG23 H 1 1.4410 . . . . . . . . . . . 4641 1 1290 . 1 1 115 115 LYS N N 15 119.5450 . . . . . . . . . . . 4641 1 1291 . 1 1 115 115 LYS H H 1 8.9780 . . . . . . . . . . . 4641 1 1292 . 1 1 115 115 LYS C C 13 179.6560 . . . . . . . . . . . 4641 1 1293 . 1 1 115 115 LYS CA C 13 59.7880 . . . . . . . . . . . 4641 1 1294 . 1 1 115 115 LYS CB C 13 31.8240 . . . . . . . . . . . 4641 1 1295 . 1 1 115 115 LYS CG C 13 25.1780 . . . . . . . . . . . 4641 1 1296 . 1 1 115 115 LYS CD C 13 29.1280 . . . . . . . . . . . 4641 1 1297 . 1 1 115 115 LYS CE C 13 41.7910 . . . . . . . . . . . 4641 1 1298 . 1 1 115 115 LYS HA H 1 4.0510 . . . . . . . . . . . 4641 1 1299 . 1 1 115 115 LYS HB3 H 1 1.9140 . . . . . . . . . . . 4641 1 1300 . 1 1 115 115 LYS HG2 H 1 1.6080 . . . . . . . . . . . 4641 1 1301 . 1 1 115 115 LYS HG3 H 1 1.5070 . . . . . . . . . . . 4641 1 1302 . 1 1 115 115 LYS HD2 H 1 1.7210 . . . . . . . . . . . 4641 1 1303 . 1 1 115 115 LYS HD3 H 1 1.7210 . . . . . . . . . . . 4641 1 1304 . 1 1 115 115 LYS HE2 H 1 3.0210 . . . . . . . . . . . 4641 1 1305 . 1 1 115 115 LYS HE3 H 1 3.0210 . . . . . . . . . . . 4641 1 1306 . 1 1 116 116 THR N N 15 116.6860 . . . . . . . . . . . 4641 1 1307 . 1 1 116 116 THR H H 1 7.9300 . . . . . . . . . . . 4641 1 1308 . 1 1 116 116 THR C C 13 175.4340 . . . . . . . . . . . 4641 1 1309 . 1 1 116 116 THR CA C 13 66.6310 . . . . . . . . . . . 4641 1 1310 . 1 1 116 116 THR CB C 13 68.5410 . . . . . . . . . . . 4641 1 1311 . 1 1 116 116 THR CG2 C 13 21.1450 . . . . . . . . . . . 4641 1 1312 . 1 1 116 116 THR HA H 1 3.8090 . . . . . . . . . . . 4641 1 1313 . 1 1 116 116 THR HB H 1 3.7160 . . . . . . . . . . . 4641 1 1314 . 1 1 116 116 THR HG21 H 1 0.7170 . . . . . . . . . . . 4641 1 1315 . 1 1 116 116 THR HG22 H 1 0.7170 . . . . . . . . . . . 4641 1 1316 . 1 1 116 116 THR HG23 H 1 0.7170 . . . . . . . . . . . 4641 1 1317 . 1 1 117 117 ASP N N 15 120.4240 . . . . . . . . . . . 4641 1 1318 . 1 1 117 117 ASP H H 1 7.5490 . . . . . . . . . . . 4641 1 1319 . 1 1 117 117 ASP C C 13 177.6630 . . . . . . . . . . . 4641 1 1320 . 1 1 117 117 ASP CA C 13 57.9800 . . . . . . . . . . . 4641 1 1321 . 1 1 117 117 ASP CB C 13 41.6490 . . . . . . . . . . . 4641 1 1322 . 1 1 117 117 ASP HA H 1 4.6040 . . . . . . . . . . . 4641 1 1323 . 1 1 117 117 ASP HB2 H 1 3.4090 . . . . . . . . . . . 4641 1 1324 . 1 1 117 117 ASP HB3 H 1 2.6650 . . . . . . . . . . . 4641 1 1325 . 1 1 118 118 VAL N N 15 119.1520 . . . . . . . . . . . 4641 1 1326 . 1 1 118 118 VAL H H 1 8.2120 . . . . . . . . . . . 4641 1 1327 . 1 1 118 118 VAL C C 13 177.3680 . . . . . . . . . . . 4641 1 1328 . 1 1 118 118 VAL CA C 13 67.6430 . . . . . . . . . . . 4641 1 1329 . 1 1 118 118 VAL CB C 13 31.6420 . . . . . . . . . . . 4641 1 1330 . 1 1 118 118 VAL HA H 1 3.3100 . . . . . . . . . . . 4641 1 1331 . 1 1 118 118 VAL HB H 1 2.0720 . . . . . . . . . . . 4641 1 1332 . 1 1 118 118 VAL CG1 C 13 22.7930 . . . . . . . . . . . 4641 1 1333 . 1 1 118 118 VAL CG2 C 13 21.3310 . . . . . . . . . . . 4641 1 1334 . 1 1 118 118 VAL HG11 H 1 0.9890 . . . . . . . . . . . 4641 1 1335 . 1 1 118 118 VAL HG12 H 1 0.9890 . . . . . . . . . . . 4641 1 1336 . 1 1 118 118 VAL HG13 H 1 0.9890 . . . . . . . . . . . 4641 1 1337 . 1 1 118 118 VAL HG21 H 1 0.9040 . . . . . . . . . . . 4641 1 1338 . 1 1 118 118 VAL HG22 H 1 0.9040 . . . . . . . . . . . 4641 1 1339 . 1 1 118 118 VAL HG23 H 1 0.9040 . . . . . . . . . . . 4641 1 1340 . 1 1 119 119 LYS N N 15 119.2740 . . . . . . . . . . . 4641 1 1341 . 1 1 119 119 LYS H H 1 7.5730 . . . . . . . . . . . 4641 1 1342 . 1 1 119 119 LYS C C 13 179.7780 . . . . . . . . . . . 4641 1 1343 . 1 1 119 119 LYS CA C 13 59.1720 . . . . . . . . . . . 4641 1 1344 . 1 1 119 119 LYS CB C 13 32.1320 . . . . . . . . . . . 4641 1 1345 . 1 1 119 119 LYS HA H 1 4.1180 . . . . . . . . . . . 4641 1 1346 . 1 1 119 119 LYS HB3 H 1 1.9640 . . . . . . . . . . . 4641 1 1347 . 1 1 119 119 LYS HG2 H 1 1.6070 . . . . . . . . . . . 4641 1 1348 . 1 1 119 119 LYS HG3 H 1 1.4310 . . . . . . . . . . . 4641 1 1349 . 1 1 119 119 LYS CG C 13 24.7790 . . . . . . . . . . . 4641 1 1350 . 1 1 119 119 LYS CD C 13 29.0620 . . . . . . . . . . . 4641 1 1351 . 1 1 119 119 LYS HD2 H 1 1.7070 . . . . . . . . . . . 4641 1 1352 . 1 1 119 119 LYS HD3 H 1 1.7070 . . . . . . . . . . . 4641 1 1353 . 1 1 119 119 LYS CE C 13 41.5220 . . . . . . . . . . . 4641 1 1354 . 1 1 119 119 LYS HE2 H 1 2.9300 . . . . . . . . . . . 4641 1 1355 . 1 1 119 119 LYS HE3 H 1 2.9300 . . . . . . . . . . . 4641 1 1356 . 1 1 120 120 MET N N 15 118.3730 . . . . . . . . . . . 4641 1 1357 . 1 1 120 120 MET H H 1 8.1630 . . . . . . . . . . . 4641 1 1358 . 1 1 120 120 MET C C 13 178.1870 . . . . . . . . . . . 4641 1 1359 . 1 1 120 120 MET CA C 13 59.9480 . . . . . . . . . . . 4641 1 1360 . 1 1 120 120 MET CB C 13 32.7720 . . . . . . . . . . . 4641 1 1361 . 1 1 120 120 MET CG C 13 34.0990 . . . . . . . . . . . 4641 1 1362 . 1 1 120 120 MET HA H 1 4.1600 . . . . . . . . . . . 4641 1 1363 . 1 1 120 120 MET HB2 H 1 2.3230 . . . . . . . . . . . 4641 1 1364 . 1 1 120 120 MET HB3 H 1 1.9550 . . . . . . . . . . . 4641 1 1365 . 1 1 120 120 MET HG2 H 1 2.9410 . . . . . . . . . . . 4641 1 1366 . 1 1 120 120 MET HG3 H 1 2.1550 . . . . . . . . . . . 4641 1 1367 . 1 1 120 120 MET CE C 13 18.3100 . . . . . . . . . . . 4641 1 1368 . 1 1 120 120 MET HE1 H 1 1.4900 . . . . . . . . . . . 4641 1 1369 . 1 1 120 120 MET HE2 H 1 1.4900 . . . . . . . . . . . 4641 1 1370 . 1 1 120 120 MET HE3 H 1 1.4900 . . . . . . . . . . . 4641 1 1371 . 1 1 121 121 MET N N 15 118.2280 . . . . . . . . . . . 4641 1 1372 . 1 1 121 121 MET H H 1 8.7060 . . . . . . . . . . . 4641 1 1373 . 1 1 121 121 MET C C 13 177.7580 . . . . . . . . . . . 4641 1 1374 . 1 1 121 121 MET CA C 13 59.9030 . . . . . . . . . . . 4641 1 1375 . 1 1 121 121 MET CB C 13 32.8900 . . . . . . . . . . . 4641 1 1376 . 1 1 121 121 MET CG C 13 32.8800 . . . . . . . . . . . 4641 1 1377 . 1 1 121 121 MET CE C 13 15.8870 . . . . . . . . . . . 4641 1 1378 . 1 1 121 121 MET HA H 1 3.5900 . . . . . . . . . . . 4641 1 1379 . 1 1 121 121 MET HB2 H 1 1.9570 . . . . . . . . . . . 4641 1 1380 . 1 1 121 121 MET HB3 H 1 1.6370 . . . . . . . . . . . 4641 1 1381 . 1 1 121 121 MET HG2 H 1 1.9570 . . . . . . . . . . . 4641 1 1382 . 1 1 121 121 MET HG3 H 1 1.6370 . . . . . . . . . . . 4641 1 1383 . 1 1 121 121 MET HE1 H 1 1.3550 . . . . . . . . . . . 4641 1 1384 . 1 1 121 121 MET HE2 H 1 1.3550 . . . . . . . . . . . 4641 1 1385 . 1 1 121 121 MET HE3 H 1 1.3550 . . . . . . . . . . . 4641 1 1386 . 1 1 122 122 GLU N N 15 118.6530 . . . . . . . . . . . 4641 1 1387 . 1 1 122 122 GLU H H 1 8.4960 . . . . . . . . . . . 4641 1 1388 . 1 1 122 122 GLU C C 13 178.5800 . . . . . . . . . . . 4641 1 1389 . 1 1 122 122 GLU CA C 13 60.7970 . . . . . . . . . . . 4641 1 1390 . 1 1 122 122 GLU CB C 13 28.8680 . . . . . . . . . . . 4641 1 1391 . 1 1 122 122 GLU CG C 13 36.2920 . . . . . . . . . . . 4641 1 1392 . 1 1 122 122 GLU HA H 1 3.6740 . . . . . . . . . . . 4641 1 1393 . 1 1 122 122 GLU HB2 H 1 2.2180 . . . . . . . . . . . 4641 1 1394 . 1 1 122 122 GLU HB3 H 1 2.0070 . . . . . . . . . . . 4641 1 1395 . 1 1 122 122 GLU HG2 H 1 2.5290 . . . . . . . . . . . 4641 1 1396 . 1 1 122 122 GLU HG3 H 1 2.1150 . . . . . . . . . . . 4641 1 1397 . 1 1 123 123 ARG N N 15 116.8310 . . . . . . . . . . . 4641 1 1398 . 1 1 123 123 ARG H H 1 7.3150 . . . . . . . . . . . 4641 1 1399 . 1 1 123 123 ARG C C 13 179.2890 . . . . . . . . . . . 4641 1 1400 . 1 1 123 123 ARG CA C 13 58.4090 . . . . . . . . . . . 4641 1 1401 . 1 1 123 123 ARG CB C 13 30.0460 . . . . . . . . . . . 4641 1 1402 . 1 1 123 123 ARG CG C 13 26.8400 . . . . . . . . . . . 4641 1 1403 . 1 1 123 123 ARG CD C 13 42.2530 . . . . . . . . . . . 4641 1 1404 . 1 1 123 123 ARG HA H 1 4.2400 . . . . . . . . . . . 4641 1 1405 . 1 1 123 123 ARG HB2 H 1 2.1160 . . . . . . . . . . . 4641 1 1406 . 1 1 123 123 ARG HB3 H 1 1.9610 . . . . . . . . . . . 4641 1 1407 . 1 1 123 123 ARG HG2 H 1 1.8170 . . . . . . . . . . . 4641 1 1408 . 1 1 123 123 ARG HG3 H 1 1.7680 . . . . . . . . . . . 4641 1 1409 . 1 1 123 123 ARG HD2 H 1 3.2610 . . . . . . . . . . . 4641 1 1410 . 1 1 123 123 ARG HD3 H 1 3.1620 . . . . . . . . . . . 4641 1 1411 . 1 1 123 123 ARG NE N 15 113.4500 . . . . . . . . . . . 4641 1 1412 . 1 1 123 123 ARG HE H 1 7.3040 . . . . . . . . . . . 4641 1 1413 . 1 1 124 124 VAL N N 15 119.1020 . . . . . . . . . . . 4641 1 1414 . 1 1 124 124 VAL H H 1 8.3220 . . . . . . . . . . . 4641 1 1415 . 1 1 124 124 VAL C C 13 177.1820 . . . . . . . . . . . 4641 1 1416 . 1 1 124 124 VAL CA C 13 65.7160 . . . . . . . . . . . 4641 1 1417 . 1 1 124 124 VAL CB C 13 32.2150 . . . . . . . . . . . 4641 1 1418 . 1 1 124 124 VAL CG1 C 13 24.1140 . . . . . . . . . . . 4641 1 1419 . 1 1 124 124 VAL CG2 C 13 20.9090 . . . . . . . . . . . 4641 1 1420 . 1 1 124 124 VAL HA H 1 3.8310 . . . . . . . . . . . 4641 1 1421 . 1 1 124 124 VAL HB H 1 2.3340 . . . . . . . . . . . 4641 1 1422 . 1 1 124 124 VAL HG11 H 1 1.3230 . . . . . . . . . . . 4641 1 1423 . 1 1 124 124 VAL HG12 H 1 1.3230 . . . . . . . . . . . 4641 1 1424 . 1 1 124 124 VAL HG13 H 1 1.3230 . . . . . . . . . . . 4641 1 1425 . 1 1 124 124 VAL HG21 H 1 1.2850 . . . . . . . . . . . 4641 1 1426 . 1 1 124 124 VAL HG22 H 1 1.2850 . . . . . . . . . . . 4641 1 1427 . 1 1 124 124 VAL HG23 H 1 1.2850 . . . . . . . . . . . 4641 1 1428 . 1 1 125 125 VAL N N 15 121.4620 . . . . . . . . . . . 4641 1 1429 . 1 1 125 125 VAL H H 1 9.1060 . . . . . . . . . . . 4641 1 1430 . 1 1 125 125 VAL C C 13 177.5090 . . . . . . . . . . . 4641 1 1431 . 1 1 125 125 VAL CA C 13 66.6370 . . . . . . . . . . . 4641 1 1432 . 1 1 125 125 VAL CB C 13 31.1920 . . . . . . . . . . . 4641 1 1433 . 1 1 125 125 VAL HA H 1 3.6720 . . . . . . . . . . . 4641 1 1434 . 1 1 125 125 VAL HB H 1 2.2740 . . . . . . . . . . . 4641 1 1435 . 1 1 125 125 VAL CG1 C 13 24.8600 . . . . . . . . . . . 4641 1 1436 . 1 1 125 125 VAL CG2 C 13 24.3670 . . . . . . . . . . . 4641 1 1437 . 1 1 125 125 VAL HG11 H 1 1.2350 . . . . . . . . . . . 4641 1 1438 . 1 1 125 125 VAL HG12 H 1 1.2350 . . . . . . . . . . . 4641 1 1439 . 1 1 125 125 VAL HG13 H 1 1.2350 . . . . . . . . . . . 4641 1 1440 . 1 1 125 125 VAL HG21 H 1 0.9600 . . . . . . . . . . . 4641 1 1441 . 1 1 125 125 VAL HG22 H 1 0.9600 . . . . . . . . . . . 4641 1 1442 . 1 1 125 125 VAL HG23 H 1 0.9600 . . . . . . . . . . . 4641 1 1443 . 1 1 126 126 GLU N N 15 120.6160 . . . . . . . . . . . 4641 1 1444 . 1 1 126 126 GLU H H 1 7.9940 . . . . . . . . . . . 4641 1 1445 . 1 1 126 126 GLU C C 13 177.5830 . . . . . . . . . . . 4641 1 1446 . 1 1 126 126 GLU CA C 13 61.1830 . . . . . . . . . . . 4641 1 1447 . 1 1 126 126 GLU CB C 13 29.1340 . . . . . . . . . . . 4641 1 1448 . 1 1 126 126 GLU CG C 13 36.1740 . . . . . . . . . . . 4641 1 1449 . 1 1 126 126 GLU HA H 1 3.6100 . . . . . . . . . . . 4641 1 1450 . 1 1 126 126 GLU HB2 H 1 2.2370 . . . . . . . . . . . 4641 1 1451 . 1 1 126 126 GLU HB3 H 1 2.1690 . . . . . . . . . . . 4641 1 1452 . 1 1 126 126 GLU HG2 H 1 2.1260 . . . . . . . . . . . 4641 1 1453 . 1 1 126 126 GLU HG3 H 1 2.1260 . . . . . . . . . . . 4641 1 1454 . 1 1 127 127 GLN N N 15 114.9160 . . . . . . . . . . . 4641 1 1455 . 1 1 127 127 GLN H H 1 7.1640 . . . . . . . . . . . 4641 1 1456 . 1 1 127 127 GLN C C 13 179.0030 . . . . . . . . . . . 4641 1 1457 . 1 1 127 127 GLN CA C 13 59.0740 . . . . . . . . . . . 4641 1 1458 . 1 1 127 127 GLN CB C 13 28.0000 . . . . . . . . . . . 4641 1 1459 . 1 1 127 127 GLN CG C 13 33.7700 . . . . . . . . . . . 4641 1 1460 . 1 1 127 127 GLN HA H 1 4.0000 . . . . . . . . . . . 4641 1 1461 . 1 1 127 127 GLN HB2 H 1 2.2250 . . . . . . . . . . . 4641 1 1462 . 1 1 127 127 GLN HB3 H 1 2.1580 . . . . . . . . . . . 4641 1 1463 . 1 1 127 127 GLN HG2 H 1 2.4520 . . . . . . . . . . . 4641 1 1464 . 1 1 127 127 GLN HG3 H 1 2.4520 . . . . . . . . . . . 4641 1 1465 . 1 1 127 127 GLN NE2 N 15 115.6610 . . . . . . . . . . . 4641 1 1466 . 1 1 127 127 GLN HE21 H 1 7.2690 . . . . . . . . . . . 4641 1 1467 . 1 1 127 127 GLN HE22 H 1 6.8730 . . . . . . . . . . . 4641 1 1468 . 1 1 128 128 MET N N 15 119.3550 . . . . . . . . . . . 4641 1 1469 . 1 1 128 128 MET H H 1 8.2160 . . . . . . . . . . . 4641 1 1470 . 1 1 128 128 MET C C 13 178.5870 . . . . . . . . . . . 4641 1 1471 . 1 1 128 128 MET CA C 13 59.9460 . . . . . . . . . . . 4641 1 1472 . 1 1 128 128 MET CB C 13 34.3340 . . . . . . . . . . . 4641 1 1473 . 1 1 128 128 MET CG C 13 32.3290 . . . . . . . . . . . 4641 1 1474 . 1 1 128 128 MET HA H 1 4.1590 . . . . . . . . . . . 4641 1 1475 . 1 1 128 128 MET HB2 H 1 2.1550 . . . . . . . . . . . 4641 1 1476 . 1 1 128 128 MET HB3 H 1 2.1620 . . . . . . . . . . . 4641 1 1477 . 1 1 128 128 MET HG2 H 1 2.8260 . . . . . . . . . . . 4641 1 1478 . 1 1 128 128 MET HG3 H 1 2.5080 . . . . . . . . . . . 4641 1 1479 . 1 1 128 128 MET CE C 13 16.5250 . . . . . . . . . . . 4641 1 1480 . 1 1 128 128 MET HE1 H 1 1.9070 . . . . . . . . . . . 4641 1 1481 . 1 1 128 128 MET HE2 H 1 1.9070 . . . . . . . . . . . 4641 1 1482 . 1 1 128 128 MET HE3 H 1 1.9070 . . . . . . . . . . . 4641 1 1483 . 1 1 129 129 CYS N N 15 119.4470 . . . . . . . . . . . 4641 1 1484 . 1 1 129 129 CYS H H 1 9.2240 . . . . . . . . . . . 4641 1 1485 . 1 1 129 129 CYS C C 13 176.8500 . . . . . . . . . . . 4641 1 1486 . 1 1 129 129 CYS CA C 13 59.8060 . . . . . . . . . . . 4641 1 1487 . 1 1 129 129 CYS CB C 13 41.9460 . . . . . . . . . . . 4641 1 1488 . 1 1 129 129 CYS HA H 1 4.4170 . . . . . . . . . . . 4641 1 1489 . 1 1 129 129 CYS HB2 H 1 3.5520 . . . . . . . . . . . 4641 1 1490 . 1 1 129 129 CYS HB3 H 1 2.8960 . . . . . . . . . . . 4641 1 1491 . 1 1 130 130 ILE N N 15 123.9480 . . . . . . . . . . . 4641 1 1492 . 1 1 130 130 ILE H H 1 8.3460 . . . . . . . . . . . 4641 1 1493 . 1 1 130 130 ILE CA C 13 66.6120 . . . . . . . . . . . 4641 1 1494 . 1 1 130 130 ILE CB C 13 38.1030 . . . . . . . . . . . 4641 1 1495 . 1 1 130 130 ILE HA H 1 3.5830 . . . . . . . . . . . 4641 1 1496 . 1 1 130 130 ILE HB H 1 2.0230 . . . . . . . . . . . 4641 1 1497 . 1 1 130 130 ILE CG1 C 13 30.7600 . . . . . . . . . . . 4641 1 1498 . 1 1 130 130 ILE CG2 C 13 17.1610 . . . . . . . . . . . 4641 1 1499 . 1 1 130 130 ILE CD1 C 13 13.9790 . . . . . . . . . . . 4641 1 1500 . 1 1 130 130 ILE HG12 H 1 1.9850 . . . . . . . . . . . 4641 1 1501 . 1 1 130 130 ILE HG13 H 1 0.8590 . . . . . . . . . . . 4641 1 1502 . 1 1 130 130 ILE HD11 H 1 0.8510 . . . . . . . . . . . 4641 1 1503 . 1 1 130 130 ILE HD12 H 1 0.8510 . . . . . . . . . . . 4641 1 1504 . 1 1 130 130 ILE HD13 H 1 0.8510 . . . . . . . . . . . 4641 1 1505 . 1 1 130 130 ILE HG21 H 1 0.8900 . . . . . . . . . . . 4641 1 1506 . 1 1 130 130 ILE HG22 H 1 0.8900 . . . . . . . . . . . 4641 1 1507 . 1 1 130 130 ILE HG23 H 1 0.8900 . . . . . . . . . . . 4641 1 1508 . 1 1 131 131 THR N N 15 118.6100 . . . . . . . . . . . 4641 1 1509 . 1 1 131 131 THR H H 1 8.1220 . . . . . . . . . . . 4641 1 1510 . 1 1 131 131 THR C C 13 176.7780 . . . . . . . . . . . 4641 1 1511 . 1 1 131 131 THR CA C 13 66.9510 . . . . . . . . . . . 4641 1 1512 . 1 1 131 131 THR CB C 13 68.2730 . . . . . . . . . . . 4641 1 1513 . 1 1 131 131 THR CG2 C 13 21.9730 . . . . . . . . . . . 4641 1 1514 . 1 1 131 131 THR HA H 1 3.9620 . . . . . . . . . . . 4641 1 1515 . 1 1 131 131 THR HB H 1 4.3270 . . . . . . . . . . . 4641 1 1516 . 1 1 131 131 THR HG21 H 1 1.2340 . . . . . . . . . . . 4641 1 1517 . 1 1 131 131 THR HG22 H 1 1.2340 . . . . . . . . . . . 4641 1 1518 . 1 1 131 131 THR HG23 H 1 1.2340 . . . . . . . . . . . 4641 1 1519 . 1 1 132 132 GLN N N 15 122.2180 . . . . . . . . . . . 4641 1 1520 . 1 1 132 132 GLN H H 1 8.7030 . . . . . . . . . . . 4641 1 1521 . 1 1 132 132 GLN C C 13 177.2860 . . . . . . . . . . . 4641 1 1522 . 1 1 132 132 GLN CA C 13 58.5960 . . . . . . . . . . . 4641 1 1523 . 1 1 132 132 GLN CB C 13 28.1060 . . . . . . . . . . . 4641 1 1524 . 1 1 132 132 GLN CG C 13 32.8000 . . . . . . . . . . . 4641 1 1525 . 1 1 132 132 GLN HA H 1 3.6600 . . . . . . . . . . . 4641 1 1526 . 1 1 132 132 GLN HB2 H 1 2.2910 . . . . . . . . . . . 4641 1 1527 . 1 1 132 132 GLN NE2 N 15 113.1720 . . . . . . . . . . . 4641 1 1528 . 1 1 132 132 GLN HE21 H 1 7.5610 . . . . . . . . . . . 4641 1 1529 . 1 1 132 132 GLN HE22 H 1 6.8940 . . . . . . . . . . . 4641 1 1530 . 1 1 133 133 TYR N N 15 121.4330 . . . . . . . . . . . 4641 1 1531 . 1 1 133 133 TYR H H 1 8.5930 . . . . . . . . . . . 4641 1 1532 . 1 1 133 133 TYR C C 13 178.0220 . . . . . . . . . . . 4641 1 1533 . 1 1 133 133 TYR CA C 13 62.0620 . . . . . . . . . . . 4641 1 1534 . 1 1 133 133 TYR CB C 13 38.8140 . . . . . . . . . . . 4641 1 1535 . 1 1 133 133 TYR HA H 1 4.7280 . . . . . . . . . . . 4641 1 1536 . 1 1 133 133 TYR HB2 H 1 3.1380 . . . . . . . . . . . 4641 1 1537 . 1 1 133 133 TYR HB3 H 1 2.7710 . . . . . . . . . . . 4641 1 1538 . 1 1 133 133 TYR HE1 H 1 6.5690 . . . . . . . . . . . 4641 1 1539 . 1 1 133 133 TYR HD1 H 1 6.2250 . . . . . . . . . . . 4641 1 1540 . 1 1 133 133 TYR CD1 C 13 132.5400 . . . . . . . . . . . 4641 1 1541 . 1 1 133 133 TYR CE1 C 13 117.8000 . . . . . . . . . . . 4641 1 1542 . 1 1 134 134 GLU N N 15 121.0440 . . . . . . . . . . . 4641 1 1543 . 1 1 134 134 GLU H H 1 8.3040 . . . . . . . . . . . 4641 1 1544 . 1 1 134 134 GLU C C 13 179.1620 . . . . . . . . . . . 4641 1 1545 . 1 1 134 134 GLU CA C 13 59.6940 . . . . . . . . . . . 4641 1 1546 . 1 1 134 134 GLU CB C 13 28.8160 . . . . . . . . . . . 4641 1 1547 . 1 1 134 134 GLU CG C 13 35.7460 . . . . . . . . . . . 4641 1 1548 . 1 1 134 134 GLU HA H 1 3.7500 . . . . . . . . . . . 4641 1 1549 . 1 1 134 134 GLU HB2 H 1 2.3530 . . . . . . . . . . . 4641 1 1550 . 1 1 134 134 GLU HB3 H 1 2.0720 . . . . . . . . . . . 4641 1 1551 . 1 1 134 134 GLU HG2 H 1 2.6130 . . . . . . . . . . . 4641 1 1552 . 1 1 134 134 GLU HG3 H 1 2.3430 . . . . . . . . . . . 4641 1 1553 . 1 1 135 135 ARG N N 15 119.1430 . . . . . . . . . . . 4641 1 1554 . 1 1 135 135 ARG H H 1 7.9270 . . . . . . . . . . . 4641 1 1555 . 1 1 135 135 ARG C C 13 179.7280 . . . . . . . . . . . 4641 1 1556 . 1 1 135 135 ARG CA C 13 59.1200 . . . . . . . . . . . 4641 1 1557 . 1 1 135 135 ARG CB C 13 30.1780 . . . . . . . . . . . 4641 1 1558 . 1 1 135 135 ARG HA H 1 3.9930 . . . . . . . . . . . 4641 1 1559 . 1 1 135 135 ARG HB2 H 1 1.9570 . . . . . . . . . . . 4641 1 1560 . 1 1 135 135 ARG HB3 H 1 1.8580 . . . . . . . . . . . 4641 1 1561 . 1 1 135 135 ARG CG C 13 26.9380 . . . . . . . . . . . 4641 1 1562 . 1 1 135 135 ARG HG2 H 1 1.8510 . . . . . . . . . . . 4641 1 1563 . 1 1 135 135 ARG HG3 H 1 1.6190 . . . . . . . . . . . 4641 1 1564 . 1 1 135 135 ARG CD C 13 43.8880 . . . . . . . . . . . 4641 1 1565 . 1 1 135 135 ARG HD2 H 1 3.0900 . . . . . . . . . . . 4641 1 1566 . 1 1 135 135 ARG HD3 H 1 2.9520 . . . . . . . . . . . 4641 1 1567 . 1 1 135 135 ARG NE N 15 114.2900 . . . . . . . . . . . 4641 1 1568 . 1 1 135 135 ARG HE H 1 7.2550 . . . . . . . . . . . 4641 1 1569 . 1 1 136 136 GLU N N 15 119.2990 . . . . . . . . . . . 4641 1 1570 . 1 1 136 136 GLU H H 1 8.4650 . . . . . . . . . . . 4641 1 1571 . 1 1 136 136 GLU C C 13 178.9070 . . . . . . . . . . . 4641 1 1572 . 1 1 136 136 GLU CA C 13 58.0360 . . . . . . . . . . . 4641 1 1573 . 1 1 136 136 GLU CB C 13 29.4680 . . . . . . . . . . . 4641 1 1574 . 1 1 136 136 GLU HA H 1 4.0470 . . . . . . . . . . . 4641 1 1575 . 1 1 136 136 GLU HB2 H 1 2.0460 . . . . . . . . . . . 4641 1 1576 . 1 1 136 136 GLU HB3 H 1 1.7240 . . . . . . . . . . . 4641 1 1577 . 1 1 136 136 GLU CG C 13 36.4610 . . . . . . . . . . . 4641 1 1578 . 1 1 136 136 GLU HG2 H 1 2.4050 . . . . . . . . . . . 4641 1 1579 . 1 1 136 136 GLU HG3 H 1 2.2140 . . . . . . . . . . . 4641 1 1580 . 1 1 137 137 SER N N 15 115.8560 . . . . . . . . . . . 4641 1 1581 . 1 1 137 137 SER H H 1 8.4720 . . . . . . . . . . . 4641 1 1582 . 1 1 137 137 SER C C 13 175.9100 . . . . . . . . . . . 4641 1 1583 . 1 1 137 137 SER CA C 13 61.2210 . . . . . . . . . . . 4641 1 1584 . 1 1 137 137 SER CB C 13 62.5080 . . . . . . . . . . . 4641 1 1585 . 1 1 137 137 SER HA H 1 3.9240 . . . . . . . . . . . 4641 1 1586 . 1 1 137 137 SER HB2 H 1 3.6300 . . . . . . . . . . . 4641 1 1587 . 1 1 137 137 SER HB3 H 1 3.4130 . . . . . . . . . . . 4641 1 1588 . 1 1 138 138 GLN N N 15 120.4000 . . . . . . . . . . . 4641 1 1589 . 1 1 138 138 GLN H H 1 7.6240 . . . . . . . . . . . 4641 1 1590 . 1 1 138 138 GLN C C 13 177.6580 . . . . . . . . . . . 4641 1 1591 . 1 1 138 138 GLN CA C 13 58.3390 . . . . . . . . . . . 4641 1 1592 . 1 1 138 138 GLN CB C 13 28.3560 . . . . . . . . . . . 4641 1 1593 . 1 1 138 138 GLN CG C 13 34.0020 . . . . . . . . . . . 4641 1 1594 . 1 1 138 138 GLN HA H 1 4.1400 . . . . . . . . . . . 4641 1 1595 . 1 1 138 138 GLN HB3 H 1 2.1260 . . . . . . . . . . . 4641 1 1596 . 1 1 138 138 GLN HG2 H 1 2.5170 . . . . . . . . . . . 4641 1 1597 . 1 1 138 138 GLN HG3 H 1 2.4140 . . . . . . . . . . . 4641 1 1598 . 1 1 138 138 GLN NE2 N 15 111.7650 . . . . . . . . . . . 4641 1 1599 . 1 1 138 138 GLN HE21 H 1 7.4960 . . . . . . . . . . . 4641 1 1600 . 1 1 138 138 GLN HE22 H 1 6.8110 . . . . . . . . . . . 4641 1 1601 . 1 1 139 139 ALA N N 15 120.7230 . . . . . . . . . . . 4641 1 1602 . 1 1 139 139 ALA H H 1 7.5230 . . . . . . . . . . . 4641 1 1603 . 1 1 139 139 ALA C C 13 179.0190 . . . . . . . . . . . 4641 1 1604 . 1 1 139 139 ALA CA C 13 54.0290 . . . . . . . . . . . 4641 1 1605 . 1 1 139 139 ALA CB C 13 18.4980 . . . . . . . . . . . 4641 1 1606 . 1 1 139 139 ALA HA H 1 4.1810 . . . . . . . . . . . 4641 1 1607 . 1 1 139 139 ALA HB1 H 1 1.4120 . . . . . . . . . . . 4641 1 1608 . 1 1 139 139 ALA HB2 H 1 1.4120 . . . . . . . . . . . 4641 1 1609 . 1 1 139 139 ALA HB3 H 1 1.4120 . . . . . . . . . . . 4641 1 1610 . 1 1 140 140 TYR N N 15 119.2960 . . . . . . . . . . . 4641 1 1611 . 1 1 140 140 TYR H H 1 8.0880 . . . . . . . . . . . 4641 1 1612 . 1 1 140 140 TYR C C 13 177.2380 . . . . . . . . . . . 4641 1 1613 . 1 1 140 140 TYR CA C 13 60.2390 . . . . . . . . . . . 4641 1 1614 . 1 1 140 140 TYR CB C 13 38.9040 . . . . . . . . . . . 4641 1 1615 . 1 1 140 140 TYR HA H 1 4.1870 . . . . . . . . . . . 4641 1 1616 . 1 1 140 140 TYR HB2 H 1 3.0150 . . . . . . . . . . . 4641 1 1617 . 1 1 140 140 TYR HB3 H 1 2.8400 . . . . . . . . . . . 4641 1 1618 . 1 1 140 140 TYR HD1 H 1 6.7040 . . . . . . . . . . . 4641 1 1619 . 1 1 140 140 TYR HE1 H 1 6.6800 . . . . . . . . . . . 4641 1 1620 . 1 1 140 140 TYR CD1 C 13 132.7400 . . . . . . . . . . . 4641 1 1621 . 1 1 140 140 TYR CE1 C 13 117.8500 . . . . . . . . . . . 4641 1 1622 . 1 1 141 141 TYR N N 15 117.9650 . . . . . . . . . . . 4641 1 1623 . 1 1 141 141 TYR H H 1 7.9830 . . . . . . . . . . . 4641 1 1624 . 1 1 141 141 TYR C C 13 176.6360 . . . . . . . . . . . 4641 1 1625 . 1 1 141 141 TYR CA C 13 59.0990 . . . . . . . . . . . 4641 1 1626 . 1 1 141 141 TYR CB C 13 38.1760 . . . . . . . . . . . 4641 1 1627 . 1 1 141 141 TYR HA H 1 4.3840 . . . . . . . . . . . 4641 1 1628 . 1 1 141 141 TYR HB2 H 1 3.1590 . . . . . . . . . . . 4641 1 1629 . 1 1 141 141 TYR HB3 H 1 2.9450 . . . . . . . . . . . 4641 1 1630 . 1 1 141 141 TYR HD1 H 1 7.2110 . . . . . . . . . . . 4641 1 1631 . 1 1 141 141 TYR HE1 H 1 6.8510 . . . . . . . . . . . 4641 1 1632 . 1 1 141 141 TYR CD1 C 13 132.7400 . . . . . . . . . . . 4641 1 1633 . 1 1 141 141 TYR CE1 C 13 117.6700 . . . . . . . . . . . 4641 1 1634 . 1 1 142 142 GLN N N 15 119.4370 . . . . . . . . . . . 4641 1 1635 . 1 1 142 142 GLN H H 1 7.8760 . . . . . . . . . . . 4641 1 1636 . 1 1 142 142 GLN C C 13 176.2820 . . . . . . . . . . . 4641 1 1637 . 1 1 142 142 GLN CA C 13 56.4610 . . . . . . . . . . . 4641 1 1638 . 1 1 142 142 GLN CB C 13 28.7710 . . . . . . . . . . . 4641 1 1639 . 1 1 142 142 GLN CG C 13 33.9640 . . . . . . . . . . . 4641 1 1640 . 1 1 142 142 GLN HA H 1 4.2440 . . . . . . . . . . . 4641 1 1641 . 1 1 142 142 GLN HB2 H 1 2.1330 . . . . . . . . . . . 4641 1 1642 . 1 1 142 142 GLN HB3 H 1 2.0610 . . . . . . . . . . . 4641 1 1643 . 1 1 142 142 GLN HG2 H 1 2.3820 . . . . . . . . . . . 4641 1 1644 . 1 1 142 142 GLN HG3 H 1 2.3820 . . . . . . . . . . . 4641 1 1645 . 1 1 142 142 GLN NE2 N 15 112.5520 . . . . . . . . . . . 4641 1 1646 . 1 1 142 142 GLN HE21 H 1 7.5640 . . . . . . . . . . . 4641 1 1647 . 1 1 142 142 GLN HE22 H 1 6.8530 . . . . . . . . . . . 4641 1 1648 . 1 1 143 143 ARG N N 15 120.7280 . . . . . . . . . . . 4641 1 1649 . 1 1 143 143 ARG H H 1 7.9630 . . . . . . . . . . . 4641 1 1650 . 1 1 143 143 ARG C C 13 177.0390 . . . . . . . . . . . 4641 1 1651 . 1 1 143 143 ARG CA C 13 56.7760 . . . . . . . . . . . 4641 1 1652 . 1 1 143 143 ARG CB C 13 30.6540 . . . . . . . . . . . 4641 1 1653 . 1 1 143 143 ARG CG C 13 27.2610 . . . . . . . . . . . 4641 1 1654 . 1 1 143 143 ARG CD C 13 43.3550 . . . . . . . . . . . 4641 1 1655 . 1 1 143 143 ARG HA H 1 4.2730 . . . . . . . . . . . 4641 1 1656 . 1 1 143 143 ARG HB2 H 1 1.8530 . . . . . . . . . . . 4641 1 1657 . 1 1 143 143 ARG HB3 H 1 1.8180 . . . . . . . . . . . 4641 1 1658 . 1 1 143 143 ARG HG2 H 1 1.6840 . . . . . . . . . . . 4641 1 1659 . 1 1 143 143 ARG HG3 H 1 1.6310 . . . . . . . . . . . 4641 1 1660 . 1 1 143 143 ARG HD2 H 1 3.1560 . . . . . . . . . . . 4641 1 1661 . 1 1 143 143 ARG HD3 H 1 3.1560 . . . . . . . . . . . 4641 1 1662 . 1 1 143 143 ARG NE N 15 114.6900 . . . . . . . . . . . 4641 1 1663 . 1 1 143 143 ARG HE H 1 7.1860 . . . . . . . . . . . 4641 1 1664 . 1 1 144 144 GLY N N 15 109.1990 . . . . . . . . . . . 4641 1 1665 . 1 1 144 144 GLY H H 1 8.2520 . . . . . . . . . . . 4641 1 1666 . 1 1 144 144 GLY C C 13 174.0510 . . . . . . . . . . . 4641 1 1667 . 1 1 144 144 GLY CA C 13 45.3650 . . . . . . . . . . . 4641 1 1668 . 1 1 144 144 GLY HA2 H 1 3.9900 . . . . . . . . . . . 4641 1 1669 . 1 1 144 144 GLY HA3 H 1 3.9900 . . . . . . . . . . . 4641 1 1670 . 1 1 145 145 SER N N 15 115.7000 . . . . . . . . . . . 4641 1 1671 . 1 1 145 145 SER H H 1 8.1470 . . . . . . . . . . . 4641 1 1672 . 1 1 145 145 SER C C 13 173.7780 . . . . . . . . . . . 4641 1 1673 . 1 1 145 145 SER CA C 13 58.5390 . . . . . . . . . . . 4641 1 1674 . 1 1 145 145 SER CB C 13 63.8960 . . . . . . . . . . . 4641 1 1675 . 1 1 145 145 SER HA H 1 4.5180 . . . . . . . . . . . 4641 1 1676 . 1 1 145 145 SER HB2 H 1 3.8790 . . . . . . . . . . . 4641 1 1677 . 1 1 145 145 SER HB3 H 1 3.8790 . . . . . . . . . . . 4641 1 1678 . 1 1 146 146 SER N N 15 122.8230 . . . . . . . . . . . 4641 1 1679 . 1 1 146 146 SER H H 1 8.0120 . . . . . . . . . . . 4641 1 1680 . 1 1 146 146 SER CA C 13 59.9980 . . . . . . . . . . . 4641 1 1681 . 1 1 146 146 SER CB C 13 64.6730 . . . . . . . . . . . 4641 1 1682 . 1 1 146 146 SER HA H 1 4.3030 . . . . . . . . . . . 4641 1 1683 . 1 1 146 146 SER HB2 H 1 3.8620 . . . . . . . . . . . 4641 1 1684 . 1 1 146 146 SER HB3 H 1 3.8620 . . . . . . . . . . . 4641 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values _Coupling_constant_list.Entry_ID 4641 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 800 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 4641 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 44 44 MET H . . . . 1 1 44 44 MET HA . . . 10.64 . . 1.0 . . . . . . . . . . . 4641 1 2 3JHNHA . 1 1 48 48 ALA H . . . . 1 1 48 48 ALA HA . . . 4.40 . . 1.0 . . . . . . . . . . . 4641 1 3 3JHNHA . 1 1 49 49 MET H . . . . 1 1 49 49 MET HA . . . 9.90 . . 1.0 . . . . . . . . . . . 4641 1 4 3JHNHA . 1 1 51 51 ARG H . . . . 1 1 51 51 ARG HA . . . 4.83 . . 1.0 . . . . . . . . . . . 4641 1 5 3JHNHA . 1 1 53 53 ILE H . . . . 1 1 53 53 ILE HA . . . 8.19 . . 1.0 . . . . . . . . . . . 4641 1 6 3JHNHA . 1 1 54 54 ILE H . . . . 1 1 54 54 ILE HA . . . 10.16 . . 1.0 . . . . . . . . . . . 4641 1 7 3JHNHA . 1 1 56 56 PHE H . . . . 1 1 56 56 PHE HA . . . 9.43 . . 1.0 . . . . . . . . . . . 4641 1 8 3JHNHA . 1 1 59 59 ASP H . . . . 1 1 59 59 ASP HA . . . 4.17 . . 1.0 . . . . . . . . . . . 4641 1 9 3JHNHA . 1 1 60 60 TYR H . . . . 1 1 60 60 TYR HA . . . 3.67 . . 1.0 . . . . . . . . . . . 4641 1 10 3JHNHA . 1 1 61 61 GLU H . . . . 1 1 61 61 GLU HA . . . 5.21 . . 1.0 . . . . . . . . . . . 4641 1 11 3JHNHA . 1 1 62 62 ASP H . . . . 1 1 62 62 ASP HA . . . 3.52 . . 1.0 . . . . . . . . . . . 4641 1 12 3JHNHA . 1 1 63 63 ARG H . . . . 1 1 63 63 ARG HA . . . 5.96 . . 1.0 . . . . . . . . . . . 4641 1 13 3JHNHA . 1 1 65 65 TYR H . . . . 1 1 65 65 TYR HA . . . 4.53 . . 1.0 . . . . . . . . . . . 4641 1 14 3JHNHA . 1 1 70 70 HIS H . . . . 1 1 70 70 HIS HA . . . 4.24 . . 1.0 . . . . . . . . . . . 4641 1 15 3JHNHA . 1 1 71 71 ARG H . . . . 1 1 71 71 ARG HA . . . 8.17 . . 1.0 . . . . . . . . . . . 4641 1 16 3JHNHA . 1 1 74 74 ASN H . . . . 1 1 74 74 ASN HA . . . 10.61 . . 1.0 . . . . . . . . . . . 4641 1 17 3JHNHA . 1 1 76 76 VAL H . . . . 1 1 76 76 VAL HA . . . 10.40 . . 1.0 . . . . . . . . . . . 4641 1 18 3JHNHA . 1 1 89 89 ASN H . . . . 1 1 89 89 ASN HA . . . 5.45 . . 1.0 . . . . . . . . . . . 4641 1 19 3JHNHA . 1 1 95 95 VAL H . . . . 1 1 95 95 VAL HA . . . 4.65 . . 1.0 . . . . . . . . . . . 4641 1 20 3JHNHA . 1 1 96 96 ASN H . . . . 1 1 96 96 ASN HA . . . 3.88 . . 1.0 . . . . . . . . . . . 4641 1 21 3JHNHA . 1 1 99 99 ILE H . . . . 1 1 99 99 ILE HA . . . 5.83 . . 1.0 . . . . . . . . . . . 4641 1 22 3JHNHA . 1 1 102 102 HIS H . . . . 1 1 102 102 HIS HA . . . 5.70 . . 1.0 . . . . . . . . . . . 4641 1 23 3JHNHA . 1 1 107 107 THR H . . . . 1 1 107 107 THR HA . . . 5.72 . . 1.0 . . . . . . . . . . . 4641 1 24 3JHNHA . 1 1 111 111 GLU H . . . . 1 1 111 111 GLU HA . . . 8.06 . . 1.0 . . . . . . . . . . . 4641 1 25 3JHNHA . 1 1 113 113 PHE H . . . . 1 1 113 113 PHE HA . . . 9.16 . . 1.0 . . . . . . . . . . . 4641 1 26 3JHNHA . 1 1 114 114 THR H . . . . 1 1 114 114 THR HA . . . 8.91 . . 1.0 . . . . . . . . . . . 4641 1 27 3JHNHA . 1 1 115 115 LYS H . . . . 1 1 115 115 LYS HA . . . 3.64 . . 1.0 . . . . . . . . . . . 4641 1 28 3JHNHA . 1 1 116 116 THR H . . . . 1 1 116 116 THR HA . . . 5.11 . . 1.0 . . . . . . . . . . . 4641 1 29 3JHNHA . 1 1 117 117 ASP H . . . . 1 1 117 117 ASP HA . . . 5.08 . . 1.0 . . . . . . . . . . . 4641 1 30 3JHNHA . 1 1 118 118 VAL H . . . . 1 1 118 118 VAL HA . . . 5.06 . . 1.0 . . . . . . . . . . . 4641 1 31 3JHNHA . 1 1 119 119 LYS H . . . . 1 1 119 119 LYS HA . . . 4.26 . . 1.0 . . . . . . . . . . . 4641 1 32 3JHNHA . 1 1 120 120 MET H . . . . 1 1 120 120 MET HA . . . 4.90 . . 1.0 . . . . . . . . . . . 4641 1 33 3JHNHA . 1 1 121 121 MET H . . . . 1 1 121 121 MET HA . . . 3.56 . . 1.0 . . . . . . . . . . . 4641 1 34 3JHNHA . 1 1 122 122 GLU H . . . . 1 1 122 122 GLU HA . . . 3.89 . . 1.0 . . . . . . . . . . . 4641 1 35 3JHNHA . 1 1 123 123 ARG H . . . . 1 1 123 123 ARG HA . . . 5.83 . . 1.0 . . . . . . . . . . . 4641 1 36 3JHNHA . 1 1 124 124 VAL H . . . . 1 1 124 124 VAL HA . . . 5.76 . . 1.0 . . . . . . . . . . . 4641 1 37 3JHNHA . 1 1 125 125 VAL H . . . . 1 1 125 125 VAL HA . . . 5.65 . . 1.0 . . . . . . . . . . . 4641 1 38 3JHNHA . 1 1 127 127 GLN H . . . . 1 1 127 127 GLN HA . . . 4.77 . . 1.0 . . . . . . . . . . . 4641 1 39 3JHNHA . 1 1 128 128 MET H . . . . 1 1 128 128 MET HA . . . 4.54 . . 1.0 . . . . . . . . . . . 4641 1 40 3JHNHA . 1 1 129 129 CYS H . . . . 1 1 129 129 CYS HA . . . 5.74 . . 1.0 . . . . . . . . . . . 4641 1 41 3JHNHA . 1 1 131 131 THR H . . . . 1 1 131 131 THR HA . . . 3.52 . . 1.0 . . . . . . . . . . . 4641 1 42 3JHNHA . 1 1 134 134 GLU H . . . . 1 1 134 134 GLU HA . . . 5.92 . . 1.0 . . . . . . . . . . . 4641 1 43 3JHNHA . 1 1 137 137 SER H . . . . 1 1 137 137 SER HA . . . 5.75 . . 1.0 . . . . . . . . . . . 4641 1 44 3JHNHA . 1 1 145 145 SER H . . . . 1 1 145 145 SER HA . . . 8.97 . . 1.0 . . . . . . . . . . . 4641 1 stop_ save_