data_18426 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18426 _Entry.Title ; Solution-state NMR structure of the human prion protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-26 _Entry.Accession_date 2012-04-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ivana Biljan . . . 18426 2 Gregor Ilc . . . 18426 3 Gabriele Giancin . . . 18426 4 Igor Zhukov . . . 18426 5 Janez Plavec . . . 18426 6 Guiseppe Legname . . . 18426 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18426 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'human prion' . 18426 wild-type . 18426 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18426 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 461 18426 '15N chemical shifts' 150 18426 '1H chemical shifts' 930 18426 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-11 2012-04-26 update BMRB 'update entry citation' 18426 1 . . 2012-06-18 2012-04-26 original author 'original release' 18426 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LSB 'BMRB Entry Tracking System' 18426 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18426 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22676969 _Citation.Full_citation . _Citation.Title 'Structural basis for the protective effect of the human prion protein carrying the dominant-negative E219K polymorphism.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 446 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 243 _Citation.Page_last 251 _Citation.Year 2012 _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 Ivana Biljan . . . 18426 1 2 Gabriele Giachin . . . 18426 1 3 Gregor Ilc . . . 18426 1 4 Igor Zhukov . . . 18426 1 5 Janez Plavec . . . 18426 1 6 Giuseppe Legname . . . 18426 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18426 _Assembly.ID 1 _Assembly.Name 'human prion protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'human prion protein' 1 $huPrP A . yes native no no . . . 18426 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 'human prion protein' 1 CYS 90 90 SG . 1 'human prion protein' 1 CYS 125 125 SG 1 'human prion protein' 179 CYS SG 1 'human prion protein' 214 CYS SG 18426 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_huPrP _Entity.Sf_category entity _Entity.Sf_framecode huPrP _Entity.Entry_ID 18426 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GQGGGTHSQWNKPSKPKTNM KHMAGAAAAGAVVGGLGGYM LGSAMSRPIIHFGSDYEDRY YRENMHRYPNQVYYRPMDEY SNQNNFVHDCVNITIKQHTV TTTTKGENFTETDVKMMERV VEQMCITQYERESQAYYQRG SS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16169.103 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15676 . V129/D178N_prion_protein . . . . . 100.00 146 98.59 100.00 2.59e-100 . . . . 18426 1 2 no BMRB 16743 . "HuPrP(90-231 M129 Q212P)" . . . . . 100.00 148 99.30 99.30 1.57e-100 . . . . 18426 1 3 no BMRB 16757 . PrP^(91-231) . . . . . 100.00 145 97.89 100.00 8.72e-100 . . . . 18426 1 4 no BMRB 17714 . HuPrP . . . . . 100.00 147 99.30 100.00 1.48e-101 . . . . 18426 1 5 no BMRB 17756 . hPrP(121-230) . . . . . 77.46 113 100.00 100.00 1.83e-75 . . . . 18426 1 6 no BMRB 17757 . hPrP(121-230) . . . . . 77.46 113 98.18 98.18 1.21e-72 . . . . 18426 1 7 no BMRB 17780 . Hpp_E219K . . . . . 100.00 142 99.30 100.00 2.91e-101 . . . . 18426 1 8 no BMRB 18550 . V210I . . . . . 100.00 147 99.30 100.00 1.48e-101 . . . . 18426 1 9 no BMRB 19268 . MAJOR_PRION_PROTEIN . . . . . 100.00 146 99.30 100.00 3.75e-101 . . . . 18426 1 10 no BMRB 4379 . "human prion protein" . . . . . 78.87 112 99.11 100.00 9.20e-77 . . . . 18426 1 11 no BMRB 4402 . "human prion protein" . . . . . 99.30 210 100.00 100.00 7.45e-100 . . . . 18426 1 12 no BMRB 4434 . "human prion protein" . . . . . 99.30 143 100.00 100.00 3.70e-101 . . . . 18426 1 13 no BMRB 4620 . "prion protein" . . . . . 78.87 112 98.21 100.00 2.43e-76 . . . . 18426 1 14 no BMRB 4641 . "PRION PROTEIN" . . . . . 100.00 146 99.30 100.00 3.63e-101 . . . . 18426 1 15 no BMRB 4736 . "human prion protein" . . . . . 78.87 112 98.21 100.00 3.84e-76 . . . . 18426 1 16 no PDB 1E1G . "Human Prion Protein Variant M166v" . . . . . 72.54 104 99.03 100.00 9.83e-70 . . . . 18426 1 17 no PDB 1E1J . "Human Prion Protein Variant M166v" . . . . . 72.54 104 99.03 100.00 9.83e-70 . . . . 18426 1 18 no PDB 1E1P . "Human Prion Protein Variant S170n" . . . . . 72.54 104 99.03 100.00 8.44e-70 . . . . 18426 1 19 no PDB 1E1S . "Human Prion Protein Variant S170n" . . . . . 72.54 104 99.03 100.00 8.44e-70 . . . . 18426 1 20 no PDB 1E1U . "Human Prion Protein Variant R220k" . . . . . 72.54 104 99.03 100.00 5.82e-70 . . . . 18426 1 21 no PDB 1E1W . "Human Prion Protein Variant R220k" . . . . . 72.54 104 99.03 100.00 5.82e-70 . . . . 18426 1 22 no PDB 1FKC . "Human Prion Protein (Mutant E200k) Fragment 90-231" . . . . . 100.00 142 99.30 100.00 2.91e-101 . . . . 18426 1 23 no PDB 1FO7 . "Human Prion Protein Mutant E200k Fragment 90-231" . . . . . 100.00 142 99.30 100.00 2.91e-101 . . . . 18426 1 24 no PDB 1H0L . "Human Prion Protein 121-230 M166c/e221c" . . . . . 78.17 112 97.30 98.20 1.03e-73 . . . . 18426 1 25 no PDB 1HJM . "Human Prion Protein At Ph 7.0" . . . . . 72.54 104 100.00 100.00 1.96e-70 . . . . 18426 1 26 no PDB 1HJN . "Human Prion Protein At Ph 7.0" . . . . . 72.54 104 100.00 100.00 1.96e-70 . . . . 18426 1 27 no PDB 1I4M . "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" . . . . . 76.06 108 100.00 100.00 3.42e-74 . . . . 18426 1 28 no PDB 1QLX . "Human Prion Protein" . . . . . 99.30 210 100.00 100.00 7.45e-100 . . . . 18426 1 29 no PDB 1QLZ . "Human Prion Protein" . . . . . 99.30 210 100.00 100.00 7.45e-100 . . . . 18426 1 30 no PDB 1QM0 . "Human Prion Protein Fragment 90-230" . . . . . 99.30 143 100.00 100.00 3.70e-101 . . . . 18426 1 31 no PDB 1QM1 . "Human Prion Protein Fragment 90-230" . . . . . 99.30 143 100.00 100.00 3.70e-101 . . . . 18426 1 32 no PDB 1QM2 . "Human Prion Protein Fragment 121-230" . . . . . 78.87 112 99.11 100.00 9.20e-77 . . . . 18426 1 33 no PDB 1QM3 . "Human Prion Protein Fragment 121-230" . . . . . 78.87 112 99.11 100.00 9.20e-77 . . . . 18426 1 34 no PDB 2K1D . "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" . . . . . 100.00 146 98.59 100.00 2.59e-100 . . . . 18426 1 35 no PDB 2KUN . "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" . . . . . 100.00 148 99.30 99.30 1.57e-100 . . . . 18426 1 36 no PDB 2LEJ . "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" . . . . . 100.00 147 99.30 100.00 1.48e-101 . . . . 18426 1 37 no PDB 2LFT . "Human Prion Protein With E219k Protective Polymorphism" . . . . . 100.00 142 99.30 100.00 2.91e-101 . . . . 18426 1 38 no PDB 2LSB . "Solution-State Nmr Structure Of The Human Prion Protein" . . . . . 100.00 142 100.00 100.00 6.80e-102 . . . . 18426 1 39 no PDB 2LV1 . "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" . . . . . 100.00 147 99.30 100.00 1.48e-101 . . . . 18426 1 40 no PDB 2M8T . "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" . . . . . 100.00 146 99.30 100.00 3.75e-101 . . . . 18426 1 41 no PDB 2W9E . "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" . . . . . 79.58 113 100.00 100.00 6.01e-78 . . . . 18426 1 42 no PDB 3HAF . "Human Prion Protein Variant V129 Domain Swapped Dimer" . . . . . 100.00 142 99.30 100.00 3.43e-101 . . . . 18426 1 43 no PDB 3HAK . "Human Prion Protein Variant V129" . . . . . 72.54 103 99.03 100.00 8.27e-70 . . . . 18426 1 44 no PDB 3HEQ . "Human Prion Protein Variant D178n With M129" . . . . . 100.00 142 99.30 100.00 3.70e-101 . . . . 18426 1 45 no PDB 3HER . "Human Prion Protein Variant F198s With V129" . . . . . 100.00 142 98.59 99.30 6.07e-100 . . . . 18426 1 46 no PDB 3HES . "Human Prion Protein Variant F198s With M129" . . . . . 100.00 142 99.30 99.30 1.43e-100 . . . . 18426 1 47 no PDB 3HJ5 . "Human Prion Protein Variant V129 Domain Swapped Dimer" . . . . . 100.00 142 99.30 100.00 3.43e-101 . . . . 18426 1 48 no PDB 3HJX . "Human Prion Protein Variant D178n With V129" . . . . . 74.65 106 98.11 100.00 4.06e-71 . . . . 18426 1 49 no PDB 4DGI . "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" . . . . . 78.17 111 100.00 100.00 1.72e-76 . . . . 18426 1 50 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" . . . . . 100.00 241 100.00 100.00 3.22e-100 . . . . 18426 1 51 no PDB 4N9O . "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" . . . . . 100.00 142 100.00 100.00 6.80e-102 . . . . 18426 1 52 no DBJ BAA00011 . "prion protein [Homo sapiens]" . . . . . 100.00 245 99.30 99.30 2.52e-97 . . . . 18426 1 53 no DBJ BAF62360 . "prion protein, transcript variant 2 [Pan troglodytes verus]" . . . . . 100.00 253 98.59 100.00 1.39e-98 . . . . 18426 1 54 no DBJ BAG32276 . "prion [Homo sapiens]" . . . . . 100.00 253 100.00 100.00 1.03e-99 . . . . 18426 1 55 no DBJ BAG32277 . "prion [Homo sapiens]" . . . . . 100.00 253 99.30 100.00 3.85e-99 . . . . 18426 1 56 no DBJ BAG32278 . "alternatively spliced variant form of prion [Homo sapiens]" . . . . . 90.14 230 100.00 100.00 2.92e-89 . . . . 18426 1 57 no EMBL CAA58442 . "prion protein [Homo sapiens]" . . . . . 100.00 245 100.00 100.00 6.93e-100 . . . . 18426 1 58 no EMBL CAG46836 . "PRNP [Homo sapiens]" . . . . . 100.00 253 98.59 99.30 1.26e-96 . . . . 18426 1 59 no EMBL CAG46869 . "PRNP [Homo sapiens]" . . . . . 100.00 253 99.30 100.00 3.85e-99 . . . . 18426 1 60 no EMBL CAH92912 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 253 97.18 100.00 3.32e-97 . . . . 18426 1 61 no GB AAA19664 . "prion protein [Homo sapiens]" . . . . . 100.00 245 99.30 99.30 2.52e-97 . . . . 18426 1 62 no GB AAA60182 . "prion protein [Homo sapiens]" . . . . . 100.00 253 100.00 100.00 1.03e-99 . . . . 18426 1 63 no GB AAA68632 . "major prion protein precursor [Pan troglodytes]" . . . . . 100.00 253 98.59 100.00 1.39e-98 . . . . 18426 1 64 no GB AAA68633 . "major prion protein precursor [Gorilla gorilla]" . . . . . 100.00 253 99.30 100.00 2.05e-99 . . . . 18426 1 65 no GB AAB59442 . "prion protein, partial [Homo sapiens]" . . . . . 100.00 224 100.00 100.00 4.56e-100 . . . . 18426 1 66 no REF NP_000302 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 100.00 100.00 1.03e-99 . . . . 18426 1 67 no REF NP_001009093 . "major prion protein preproprotein [Pan troglodytes]" . . . . . 100.00 253 98.59 100.00 1.39e-98 . . . . 18426 1 68 no REF NP_001073590 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 100.00 100.00 1.03e-99 . . . . 18426 1 69 no REF NP_001073591 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 100.00 100.00 1.03e-99 . . . . 18426 1 70 no REF NP_001073592 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 100.00 100.00 1.03e-99 . . . . 18426 1 71 no SP P04156 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=ASCR; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_" . . . . . 100.00 253 100.00 100.00 1.03e-99 . . . . 18426 1 72 no SP P40252 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 100.00 253 99.30 100.00 2.60e-99 . . . . 18426 1 73 no SP P40256 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 100.00 253 97.18 100.00 3.32e-97 . . . . 18426 1 74 no SP P61766 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 100.00 253 98.59 100.00 1.39e-98 . . . . 18426 1 75 no SP P61767 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 100.00 253 98.59 100.00 1.39e-98 . . . . 18426 1 76 no TPE CAJ43808 . "TPA: prion protein PrP [Pongo abelii]" . . . . . 100.00 253 97.18 100.00 3.32e-97 . . . . 18426 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 90 GLY . 18426 1 2 91 GLN . 18426 1 3 92 GLY . 18426 1 4 93 GLY . 18426 1 5 94 GLY . 18426 1 6 95 THR . 18426 1 7 96 HIS . 18426 1 8 97 SER . 18426 1 9 98 GLN . 18426 1 10 99 TRP . 18426 1 11 100 ASN . 18426 1 12 101 LYS . 18426 1 13 102 PRO . 18426 1 14 103 SER . 18426 1 15 104 LYS . 18426 1 16 105 PRO . 18426 1 17 106 LYS . 18426 1 18 107 THR . 18426 1 19 108 ASN . 18426 1 20 109 MET . 18426 1 21 110 LYS . 18426 1 22 111 HIS . 18426 1 23 112 MET . 18426 1 24 113 ALA . 18426 1 25 114 GLY . 18426 1 26 115 ALA . 18426 1 27 116 ALA . 18426 1 28 117 ALA . 18426 1 29 118 ALA . 18426 1 30 119 GLY . 18426 1 31 120 ALA . 18426 1 32 121 VAL . 18426 1 33 122 VAL . 18426 1 34 123 GLY . 18426 1 35 124 GLY . 18426 1 36 125 LEU . 18426 1 37 126 GLY . 18426 1 38 127 GLY . 18426 1 39 128 TYR . 18426 1 40 129 MET . 18426 1 41 130 LEU . 18426 1 42 131 GLY . 18426 1 43 132 SER . 18426 1 44 133 ALA . 18426 1 45 134 MET . 18426 1 46 135 SER . 18426 1 47 136 ARG . 18426 1 48 137 PRO . 18426 1 49 138 ILE . 18426 1 50 139 ILE . 18426 1 51 140 HIS . 18426 1 52 141 PHE . 18426 1 53 142 GLY . 18426 1 54 143 SER . 18426 1 55 144 ASP . 18426 1 56 145 TYR . 18426 1 57 146 GLU . 18426 1 58 147 ASP . 18426 1 59 148 ARG . 18426 1 60 149 TYR . 18426 1 61 150 TYR . 18426 1 62 151 ARG . 18426 1 63 152 GLU . 18426 1 64 153 ASN . 18426 1 65 154 MET . 18426 1 66 155 HIS . 18426 1 67 156 ARG . 18426 1 68 157 TYR . 18426 1 69 158 PRO . 18426 1 70 159 ASN . 18426 1 71 160 GLN . 18426 1 72 161 VAL . 18426 1 73 162 TYR . 18426 1 74 163 TYR . 18426 1 75 164 ARG . 18426 1 76 165 PRO . 18426 1 77 166 MET . 18426 1 78 167 ASP . 18426 1 79 168 GLU . 18426 1 80 169 TYR . 18426 1 81 170 SER . 18426 1 82 171 ASN . 18426 1 83 172 GLN . 18426 1 84 173 ASN . 18426 1 85 174 ASN . 18426 1 86 175 PHE . 18426 1 87 176 VAL . 18426 1 88 177 HIS . 18426 1 89 178 ASP . 18426 1 90 179 CYS . 18426 1 91 180 VAL . 18426 1 92 181 ASN . 18426 1 93 182 ILE . 18426 1 94 183 THR . 18426 1 95 184 ILE . 18426 1 96 185 LYS . 18426 1 97 186 GLN . 18426 1 98 187 HIS . 18426 1 99 188 THR . 18426 1 100 189 VAL . 18426 1 101 190 THR . 18426 1 102 191 THR . 18426 1 103 192 THR . 18426 1 104 193 THR . 18426 1 105 194 LYS . 18426 1 106 195 GLY . 18426 1 107 196 GLU . 18426 1 108 197 ASN . 18426 1 109 198 PHE . 18426 1 110 199 THR . 18426 1 111 200 GLU . 18426 1 112 201 THR . 18426 1 113 202 ASP . 18426 1 114 203 VAL . 18426 1 115 204 LYS . 18426 1 116 205 MET . 18426 1 117 206 MET . 18426 1 118 207 GLU . 18426 1 119 208 ARG . 18426 1 120 209 VAL . 18426 1 121 210 VAL . 18426 1 122 211 GLU . 18426 1 123 212 GLN . 18426 1 124 213 MET . 18426 1 125 214 CYS . 18426 1 126 215 ILE . 18426 1 127 216 THR . 18426 1 128 217 GLN . 18426 1 129 218 TYR . 18426 1 130 219 GLU . 18426 1 131 220 ARG . 18426 1 132 221 GLU . 18426 1 133 222 SER . 18426 1 134 223 GLN . 18426 1 135 224 ALA . 18426 1 136 225 TYR . 18426 1 137 226 TYR . 18426 1 138 227 GLN . 18426 1 139 228 ARG . 18426 1 140 229 GLY . 18426 1 141 230 SER . 18426 1 142 231 SER . 18426 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 18426 1 . GLN 2 2 18426 1 . GLY 3 3 18426 1 . GLY 4 4 18426 1 . GLY 5 5 18426 1 . THR 6 6 18426 1 . HIS 7 7 18426 1 . SER 8 8 18426 1 . GLN 9 9 18426 1 . TRP 10 10 18426 1 . ASN 11 11 18426 1 . LYS 12 12 18426 1 . PRO 13 13 18426 1 . SER 14 14 18426 1 . LYS 15 15 18426 1 . PRO 16 16 18426 1 . LYS 17 17 18426 1 . THR 18 18 18426 1 . ASN 19 19 18426 1 . MET 20 20 18426 1 . LYS 21 21 18426 1 . HIS 22 22 18426 1 . MET 23 23 18426 1 . ALA 24 24 18426 1 . GLY 25 25 18426 1 . ALA 26 26 18426 1 . ALA 27 27 18426 1 . ALA 28 28 18426 1 . ALA 29 29 18426 1 . GLY 30 30 18426 1 . ALA 31 31 18426 1 . VAL 32 32 18426 1 . VAL 33 33 18426 1 . GLY 34 34 18426 1 . GLY 35 35 18426 1 . LEU 36 36 18426 1 . GLY 37 37 18426 1 . GLY 38 38 18426 1 . TYR 39 39 18426 1 . MET 40 40 18426 1 . LEU 41 41 18426 1 . GLY 42 42 18426 1 . SER 43 43 18426 1 . ALA 44 44 18426 1 . MET 45 45 18426 1 . SER 46 46 18426 1 . ARG 47 47 18426 1 . PRO 48 48 18426 1 . ILE 49 49 18426 1 . ILE 50 50 18426 1 . HIS 51 51 18426 1 . PHE 52 52 18426 1 . GLY 53 53 18426 1 . SER 54 54 18426 1 . ASP 55 55 18426 1 . TYR 56 56 18426 1 . GLU 57 57 18426 1 . ASP 58 58 18426 1 . ARG 59 59 18426 1 . TYR 60 60 18426 1 . TYR 61 61 18426 1 . ARG 62 62 18426 1 . GLU 63 63 18426 1 . ASN 64 64 18426 1 . MET 65 65 18426 1 . HIS 66 66 18426 1 . ARG 67 67 18426 1 . TYR 68 68 18426 1 . PRO 69 69 18426 1 . ASN 70 70 18426 1 . GLN 71 71 18426 1 . VAL 72 72 18426 1 . TYR 73 73 18426 1 . TYR 74 74 18426 1 . ARG 75 75 18426 1 . PRO 76 76 18426 1 . MET 77 77 18426 1 . ASP 78 78 18426 1 . GLU 79 79 18426 1 . TYR 80 80 18426 1 . SER 81 81 18426 1 . ASN 82 82 18426 1 . GLN 83 83 18426 1 . ASN 84 84 18426 1 . ASN 85 85 18426 1 . PHE 86 86 18426 1 . VAL 87 87 18426 1 . HIS 88 88 18426 1 . ASP 89 89 18426 1 . CYS 90 90 18426 1 . VAL 91 91 18426 1 . ASN 92 92 18426 1 . ILE 93 93 18426 1 . THR 94 94 18426 1 . ILE 95 95 18426 1 . LYS 96 96 18426 1 . GLN 97 97 18426 1 . HIS 98 98 18426 1 . THR 99 99 18426 1 . VAL 100 100 18426 1 . THR 101 101 18426 1 . THR 102 102 18426 1 . THR 103 103 18426 1 . THR 104 104 18426 1 . LYS 105 105 18426 1 . GLY 106 106 18426 1 . GLU 107 107 18426 1 . ASN 108 108 18426 1 . PHE 109 109 18426 1 . THR 110 110 18426 1 . GLU 111 111 18426 1 . THR 112 112 18426 1 . ASP 113 113 18426 1 . VAL 114 114 18426 1 . LYS 115 115 18426 1 . MET 116 116 18426 1 . MET 117 117 18426 1 . GLU 118 118 18426 1 . ARG 119 119 18426 1 . VAL 120 120 18426 1 . VAL 121 121 18426 1 . GLU 122 122 18426 1 . GLN 123 123 18426 1 . MET 124 124 18426 1 . CYS 125 125 18426 1 . ILE 126 126 18426 1 . THR 127 127 18426 1 . GLN 128 128 18426 1 . TYR 129 129 18426 1 . GLU 130 130 18426 1 . ARG 131 131 18426 1 . GLU 132 132 18426 1 . SER 133 133 18426 1 . GLN 134 134 18426 1 . ALA 135 135 18426 1 . TYR 136 136 18426 1 . TYR 137 137 18426 1 . GLN 138 138 18426 1 . ARG 139 139 18426 1 . GLY 140 140 18426 1 . SER 141 141 18426 1 . SER 142 142 18426 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 18426 _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 $huPrP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18426 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 18426 _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 $huPrP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pProExHTa . . . . . . 18426 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18426 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 huPrP '[U-100% 13C; U-100% 15N]' . . 1 $huPrP . . 1.5 . . mM . . . . 18426 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18426 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18426 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18426 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 huPrP '[U-100% 13C; U-100% 15N]' . . 1 $huPrP . . 1.5 . . mM . . . . 18426 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18426 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18426 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 18426 1 pH 5.5 . pH 18426 1 pressure 1 . atm 18426 1 temperature 298 . K 18426 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18426 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 18426 2 pD 5.9 . pH 18426 2 temperature 298 . K 18426 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18426 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18426 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18426 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18426 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18426 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18426 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18426 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18426 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18426 3 stop_ save_ save_YASARA _Software.Sf_category software _Software.Sf_framecode YASARA _Software.Entry_ID 18426 _Software.ID 4 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID (YASARA) . . 18426 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18426 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18426 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18426 _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 Varian 'Uniform NMR System' . 800 . . . 18426 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 18426 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18426 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18426 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18426 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18426 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18426 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18426 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18426 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18426 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18426 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18426 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18426 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18426 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18426 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18426 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18426 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18426 1 9 '3D 1H-13C NOESY aliphatic' . . . 18426 1 10 '3D 1H-13C NOESY aromatic' . . . 18426 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 2 2 GLN H H 1 8.385 0.020 . 1 . . . . 91 GLN H . 18426 1 2 . 1 1 2 2 GLN HA H 1 4.391 0.020 . 1 . . . . 91 GLN HA . 18426 1 3 . 1 1 2 2 GLN HB2 H 1 2.110 0.020 . 1 . . . . 91 GLN HB2 . 18426 1 4 . 1 1 2 2 GLN HB3 H 1 1.979 0.020 . 1 . . . . 91 GLN HB3 . 18426 1 5 . 1 1 2 2 GLN HG2 H 1 2.355 0.020 . 2 . . . . 91 GLN HG2 . 18426 1 6 . 1 1 2 2 GLN HG3 H 1 2.354 0.020 . 2 . . . . 91 GLN HG3 . 18426 1 7 . 1 1 2 2 GLN HE21 H 1 7.533 0.020 . 1 . . . . 91 GLN HE21 . 18426 1 8 . 1 1 2 2 GLN HE22 H 1 6.855 0.020 . 1 . . . . 91 GLN HE22 . 18426 1 9 . 1 1 2 2 GLN CA C 13 55.994 0.200 . 1 . . . . 91 GLN CA . 18426 1 10 . 1 1 2 2 GLN CB C 13 29.590 0.200 . 1 . . . . 91 GLN CB . 18426 1 11 . 1 1 2 2 GLN CG C 13 33.681 0.200 . 1 . . . . 91 GLN CG . 18426 1 12 . 1 1 2 2 GLN N N 15 119.896 0.200 . 1 . . . . 91 GLN N . 18426 1 13 . 1 1 2 2 GLN NE2 N 15 112.299 0.200 . 1 . . . . 91 GLN NE2 . 18426 1 14 . 1 1 3 3 GLY H H 1 8.631 0.020 . 1 . . . . 92 GLY H . 18426 1 15 . 1 1 3 3 GLY HA2 H 1 3.981 0.020 . 1 . . . . 92 GLY HA2 . 18426 1 16 . 1 1 3 3 GLY HA3 H 1 3.984 0.020 . 1 . . . . 92 GLY HA3 . 18426 1 17 . 1 1 3 3 GLY CA C 13 45.166 0.200 . 1 . . . . 92 GLY CA . 18426 1 18 . 1 1 3 3 GLY N N 15 110.849 0.200 . 1 . . . . 92 GLY N . 18426 1 19 . 1 1 4 4 GLY H H 1 8.329 0.020 . 1 . . . . 93 GLY H . 18426 1 20 . 1 1 4 4 GLY HA2 H 1 3.985 0.020 . 2 . . . . 93 GLY HA2 . 18426 1 21 . 1 1 4 4 GLY HA3 H 1 3.985 0.020 . 2 . . . . 93 GLY HA3 . 18426 1 22 . 1 1 4 4 GLY CA C 13 45.164 0.200 . 1 . . . . 93 GLY CA . 18426 1 23 . 1 1 4 4 GLY N N 15 108.763 0.200 . 1 . . . . 93 GLY N . 18426 1 24 . 1 1 5 5 GLY H H 1 8.366 0.020 . 1 . . . . 94 GLY H . 18426 1 25 . 1 1 5 5 GLY HA2 H 1 3.986 0.020 . 2 . . . . 94 GLY HA2 . 18426 1 26 . 1 1 5 5 GLY HA3 H 1 3.986 0.020 . 2 . . . . 94 GLY HA3 . 18426 1 27 . 1 1 5 5 GLY CA C 13 45.138 0.200 . 1 . . . . 94 GLY CA . 18426 1 28 . 1 1 5 5 GLY N N 15 108.863 0.200 . 1 . . . . 94 GLY N . 18426 1 29 . 1 1 6 6 THR H H 1 8.132 0.020 . 1 . . . . 95 THR H . 18426 1 30 . 1 1 6 6 THR HA H 1 4.266 0.020 . 1 . . . . 95 THR HA . 18426 1 31 . 1 1 6 6 THR HB H 1 4.145 0.020 . 1 . . . . 95 THR HB . 18426 1 32 . 1 1 6 6 THR HG21 H 1 1.132 0.020 . 1 . . . . 95 THR HG2 . 18426 1 33 . 1 1 6 6 THR HG22 H 1 1.132 0.020 . 1 . . . . 95 THR HG2 . 18426 1 34 . 1 1 6 6 THR HG23 H 1 1.132 0.020 . 1 . . . . 95 THR HG2 . 18426 1 35 . 1 1 6 6 THR CA C 13 61.929 0.200 . 1 . . . . 95 THR CA . 18426 1 36 . 1 1 6 6 THR CB C 13 69.595 0.200 . 1 . . . . 95 THR CB . 18426 1 37 . 1 1 6 6 THR CG2 C 13 21.446 0.200 . 1 . . . . 95 THR CG2 . 18426 1 38 . 1 1 6 6 THR N N 15 113.518 0.200 . 1 . . . . 95 THR N . 18426 1 39 . 1 1 7 7 HIS H H 1 8.527 0.020 . 1 . . . . 96 HIS H . 18426 1 40 . 1 1 7 7 HIS HA H 1 4.690 0.020 . 1 . . . . 96 HIS HA . 18426 1 41 . 1 1 7 7 HIS HB2 H 1 3.185 0.020 . 1 . . . . 96 HIS HB2 . 18426 1 42 . 1 1 7 7 HIS HB3 H 1 3.120 0.020 . 1 . . . . 96 HIS HB3 . 18426 1 43 . 1 1 7 7 HIS HD2 H 1 7.217 0.020 . 1 . . . . 96 HIS HD2 . 18426 1 44 . 1 1 7 7 HIS CA C 13 55.265 0.200 . 1 . . . . 96 HIS CA . 18426 1 45 . 1 1 7 7 HIS CB C 13 29.274 0.200 . 1 . . . . 96 HIS CB . 18426 1 46 . 1 1 7 7 HIS CD2 C 13 120.212 0.200 . 1 . . . . 96 HIS CD2 . 18426 1 47 . 1 1 7 7 HIS N N 15 120.890 0.200 . 1 . . . . 96 HIS N . 18426 1 48 . 1 1 8 8 SER H H 1 8.295 0.020 . 1 . . . . 97 SER H . 18426 1 49 . 1 1 8 8 SER HA H 1 4.342 0.020 . 1 . . . . 97 SER HA . 18426 1 50 . 1 1 8 8 SER HB2 H 1 3.787 0.020 . 1 . . . . 97 SER HB2 . 18426 1 51 . 1 1 8 8 SER HB3 H 1 3.739 0.020 . 1 . . . . 97 SER HB3 . 18426 1 52 . 1 1 8 8 SER CA C 13 58.500 0.200 . 1 . . . . 97 SER CA . 18426 1 53 . 1 1 8 8 SER CB C 13 63.571 0.200 . 1 . . . . 97 SER CB . 18426 1 54 . 1 1 8 8 SER N N 15 117.033 0.200 . 1 . . . . 97 SER N . 18426 1 55 . 1 1 9 9 GLN H H 1 8.466 0.020 . 1 . . . . 98 GLN H . 18426 1 56 . 1 1 9 9 GLN HA H 1 4.261 0.020 . 1 . . . . 98 GLN HA . 18426 1 57 . 1 1 9 9 GLN HB2 H 1 1.937 0.020 . 1 . . . . 98 GLN HB2 . 18426 1 58 . 1 1 9 9 GLN HB3 H 1 1.845 0.020 . 1 . . . . 98 GLN HB3 . 18426 1 59 . 1 1 9 9 GLN HG2 H 1 2.139 0.020 . 2 . . . . 98 GLN HG2 . 18426 1 60 . 1 1 9 9 GLN HG3 H 1 2.139 0.020 . 2 . . . . 98 GLN HG3 . 18426 1 61 . 1 1 9 9 GLN HE21 H 1 7.393 0.020 . 1 . . . . 98 GLN HE21 . 18426 1 62 . 1 1 9 9 GLN HE22 H 1 6.826 0.020 . 1 . . . . 98 GLN HE22 . 18426 1 63 . 1 1 9 9 GLN CA C 13 55.999 0.200 . 1 . . . . 98 GLN CA . 18426 1 64 . 1 1 9 9 GLN CB C 13 29.178 0.200 . 1 . . . . 98 GLN CB . 18426 1 65 . 1 1 9 9 GLN CG C 13 33.468 0.200 . 1 . . . . 98 GLN CG . 18426 1 66 . 1 1 9 9 GLN N N 15 122.075 0.200 . 1 . . . . 98 GLN N . 18426 1 67 . 1 1 9 9 GLN NE2 N 15 112.255 0.200 . 1 . . . . 98 GLN NE2 . 18426 1 68 . 1 1 10 10 TRP H H 1 8.098 0.020 . 1 . . . . 99 TRP H . 18426 1 69 . 1 1 10 10 TRP HA H 1 4.660 0.020 . 1 . . . . 99 TRP HA . 18426 1 70 . 1 1 10 10 TRP HB2 H 1 3.280 0.020 . 1 . . . . 99 TRP HB2 . 18426 1 71 . 1 1 10 10 TRP HB3 H 1 3.179 0.020 . 1 . . . . 99 TRP HB3 . 18426 1 72 . 1 1 10 10 TRP HD1 H 1 7.228 0.020 . 1 . . . . 99 TRP HD1 . 18426 1 73 . 1 1 10 10 TRP HE1 H 1 10.113 0.020 . 1 . . . . 99 TRP HE1 . 18426 1 74 . 1 1 10 10 TRP HE3 H 1 7.598 0.020 . 1 . . . . 99 TRP HE3 . 18426 1 75 . 1 1 10 10 TRP HZ2 H 1 7.451 0.020 . 1 . . . . 99 TRP HZ2 . 18426 1 76 . 1 1 10 10 TRP HZ3 H 1 7.119 0.020 . 1 . . . . 99 TRP HZ3 . 18426 1 77 . 1 1 10 10 TRP HH2 H 1 7.206 0.020 . 1 . . . . 99 TRP HH2 . 18426 1 78 . 1 1 10 10 TRP CA C 13 57.070 0.200 . 1 . . . . 99 TRP CA . 18426 1 79 . 1 1 10 10 TRP CB C 13 29.463 0.200 . 1 . . . . 99 TRP CB . 18426 1 80 . 1 1 10 10 TRP CD1 C 13 126.960 0.200 . 1 . . . . 99 TRP CD1 . 18426 1 81 . 1 1 10 10 TRP CE3 C 13 120.899 0.200 . 1 . . . . 99 TRP CE3 . 18426 1 82 . 1 1 10 10 TRP CZ2 C 13 114.556 0.200 . 1 . . . . 99 TRP CZ2 . 18426 1 83 . 1 1 10 10 TRP CZ3 C 13 122.030 0.200 . 1 . . . . 99 TRP CZ3 . 18426 1 84 . 1 1 10 10 TRP CH2 C 13 124.659 0.200 . 1 . . . . 99 TRP CH2 . 18426 1 85 . 1 1 10 10 TRP N N 15 121.650 0.200 . 1 . . . . 99 TRP N . 18426 1 86 . 1 1 10 10 TRP NE1 N 15 129.308 0.200 . 1 . . . . 99 TRP NE1 . 18426 1 87 . 1 1 11 11 ASN H H 1 8.105 0.020 . 1 . . . . 100 ASN H . 18426 1 88 . 1 1 11 11 ASN HA H 1 4.587 0.020 . 1 . . . . 100 ASN HA . 18426 1 89 . 1 1 11 11 ASN HB2 H 1 2.541 0.020 . 1 . . . . 100 ASN HB2 . 18426 1 90 . 1 1 11 11 ASN HB3 H 1 2.520 0.020 . 1 . . . . 100 ASN HB3 . 18426 1 91 . 1 1 11 11 ASN HD21 H 1 7.457 0.020 . 1 . . . . 100 ASN HD21 . 18426 1 92 . 1 1 11 11 ASN HD22 H 1 6.823 0.020 . 1 . . . . 100 ASN HD22 . 18426 1 93 . 1 1 11 11 ASN CA C 13 52.694 0.200 . 1 . . . . 100 ASN CA . 18426 1 94 . 1 1 11 11 ASN CB C 13 38.784 0.200 . 1 . . . . 100 ASN CB . 18426 1 95 . 1 1 11 11 ASN N N 15 120.577 0.200 . 1 . . . . 100 ASN N . 18426 1 96 . 1 1 11 11 ASN ND2 N 15 112.484 0.200 . 1 . . . . 100 ASN ND2 . 18426 1 97 . 1 1 12 12 LYS H H 1 7.982 0.020 . 1 . . . . 101 LYS H . 18426 1 98 . 1 1 12 12 LYS HA H 1 4.424 0.020 . 1 . . . . 101 LYS HA . 18426 1 99 . 1 1 12 12 LYS HB2 H 1 1.749 0.020 . 1 . . . . 101 LYS HB2 . 18426 1 100 . 1 1 12 12 LYS HB3 H 1 1.620 0.020 . 1 . . . . 101 LYS HB3 . 18426 1 101 . 1 1 12 12 LYS HG2 H 1 1.352 0.020 . 2 . . . . 101 LYS HG2 . 18426 1 102 . 1 1 12 12 LYS HG3 H 1 1.352 0.020 . 2 . . . . 101 LYS HG3 . 18426 1 103 . 1 1 12 12 LYS HD2 H 1 1.683 0.020 . 1 . . . . 101 LYS HD2 . 18426 1 104 . 1 1 12 12 LYS HD3 H 1 1.644 0.020 . 1 . . . . 101 LYS HD3 . 18426 1 105 . 1 1 12 12 LYS HE2 H 1 2.987 0.020 . 2 . . . . 101 LYS HE2 . 18426 1 106 . 1 1 12 12 LYS HE3 H 1 2.987 0.020 . 2 . . . . 101 LYS HE3 . 18426 1 107 . 1 1 12 12 LYS CA C 13 54.152 0.200 . 1 . . . . 101 LYS CA . 18426 1 108 . 1 1 12 12 LYS CB C 13 32.310 0.200 . 1 . . . . 101 LYS CB . 18426 1 109 . 1 1 12 12 LYS CG C 13 24.498 0.200 . 1 . . . . 101 LYS CG . 18426 1 110 . 1 1 12 12 LYS CD C 13 29.105 0.200 . 1 . . . . 101 LYS CD . 18426 1 111 . 1 1 12 12 LYS CE C 13 41.889 0.200 . 1 . . . . 101 LYS CE . 18426 1 112 . 1 1 12 12 LYS N N 15 122.632 0.200 . 1 . . . . 101 LYS N . 18426 1 113 . 1 1 13 13 PRO HA H 1 4.398 0.020 . 1 . . . . 102 PRO HA . 18426 1 114 . 1 1 13 13 PRO HB2 H 1 2.280 0.020 . 1 . . . . 102 PRO HB2 . 18426 1 115 . 1 1 13 13 PRO HB3 H 1 1.884 0.020 . 1 . . . . 102 PRO HB3 . 18426 1 116 . 1 1 13 13 PRO HG2 H 1 2.003 0.020 . 2 . . . . 102 PRO HG2 . 18426 1 117 . 1 1 13 13 PRO HG3 H 1 2.003 0.020 . 2 . . . . 102 PRO HG3 . 18426 1 118 . 1 1 13 13 PRO HD2 H 1 3.609 0.020 . 1 . . . . 102 PRO HD2 . 18426 1 119 . 1 1 13 13 PRO HD3 H 1 3.760 0.020 . 1 . . . . 102 PRO HD3 . 18426 1 120 . 1 1 13 13 PRO CA C 13 63.041 0.200 . 1 . . . . 102 PRO CA . 18426 1 121 . 1 1 13 13 PRO CB C 13 32.083 0.200 . 1 . . . . 102 PRO CB . 18426 1 122 . 1 1 13 13 PRO CG C 13 27.371 0.200 . 1 . . . . 102 PRO CG . 18426 1 123 . 1 1 13 13 PRO CD C 13 50.678 0.200 . 1 . . . . 102 PRO CD . 18426 1 124 . 1 1 14 14 SER H H 1 8.419 0.020 . 1 . . . . 103 SER H . 18426 1 125 . 1 1 14 14 SER HA H 1 4.413 0.020 . 1 . . . . 103 SER HA . 18426 1 126 . 1 1 14 14 SER HB2 H 1 3.812 0.020 . 2 . . . . 103 SER HB2 . 18426 1 127 . 1 1 14 14 SER HB3 H 1 3.812 0.020 . 2 . . . . 103 SER HB3 . 18426 1 128 . 1 1 14 14 SER CA C 13 58.001 0.200 . 1 . . . . 103 SER CA . 18426 1 129 . 1 1 14 14 SER CB C 13 63.868 0.200 . 1 . . . . 103 SER CB . 18426 1 130 . 1 1 14 14 SER N N 15 116.849 0.200 . 1 . . . . 103 SER N . 18426 1 131 . 1 1 15 15 LYS H H 1 8.324 0.020 . 1 . . . . 104 LYS H . 18426 1 132 . 1 1 15 15 LYS HA H 1 4.605 0.020 . 1 . . . . 104 LYS HA . 18426 1 133 . 1 1 15 15 LYS HB2 H 1 1.745 0.020 . 1 . . . . 104 LYS HB2 . 18426 1 134 . 1 1 15 15 LYS HB3 H 1 1.704 0.020 . 1 . . . . 104 LYS HB3 . 18426 1 135 . 1 1 15 15 LYS HG2 H 1 1.443 0.020 . 2 . . . . 104 LYS HG2 . 18426 1 136 . 1 1 15 15 LYS HG3 H 1 1.443 0.020 . 2 . . . . 104 LYS HG3 . 18426 1 137 . 1 1 15 15 LYS HD2 H 1 1.683 0.020 . 1 . . . . 104 LYS HD2 . 18426 1 138 . 1 1 15 15 LYS HD3 H 1 1.652 0.020 . 1 . . . . 104 LYS HD3 . 18426 1 139 . 1 1 15 15 LYS HE2 H 1 2.987 0.020 . 2 . . . . 104 LYS HE2 . 18426 1 140 . 1 1 15 15 LYS HE3 H 1 2.987 0.020 . 2 . . . . 104 LYS HE3 . 18426 1 141 . 1 1 15 15 LYS CA C 13 54.177 0.200 . 1 . . . . 104 LYS CA . 18426 1 142 . 1 1 15 15 LYS CB C 13 32.600 0.200 . 1 . . . . 104 LYS CB . 18426 1 143 . 1 1 15 15 LYS CG C 13 24.856 0.200 . 1 . . . . 104 LYS CG . 18426 1 144 . 1 1 15 15 LYS CD C 13 29.033 0.200 . 1 . . . . 104 LYS CD . 18426 1 145 . 1 1 15 15 LYS CE C 13 41.866 0.200 . 1 . . . . 104 LYS CE . 18426 1 146 . 1 1 15 15 LYS N N 15 124.165 0.200 . 1 . . . . 104 LYS N . 18426 1 147 . 1 1 16 16 PRO HA H 1 4.406 0.020 . 1 . . . . 105 PRO HA . 18426 1 148 . 1 1 16 16 PRO HB2 H 1 2.280 0.020 . 1 . . . . 105 PRO HB2 . 18426 1 149 . 1 1 16 16 PRO HB3 H 1 1.884 0.020 . 1 . . . . 105 PRO HB3 . 18426 1 150 . 1 1 16 16 PRO HG2 H 1 2.003 0.020 . 2 . . . . 105 PRO HG2 . 18426 1 151 . 1 1 16 16 PRO HG3 H 1 2.003 0.020 . 2 . . . . 105 PRO HG3 . 18426 1 152 . 1 1 16 16 PRO HD2 H 1 3.805 0.020 . 1 . . . . 105 PRO HD2 . 18426 1 153 . 1 1 16 16 PRO HD3 H 1 3.612 0.020 . 1 . . . . 105 PRO HD3 . 18426 1 154 . 1 1 16 16 PRO CA C 13 62.821 0.200 . 1 . . . . 105 PRO CA . 18426 1 155 . 1 1 16 16 PRO CB C 13 32.178 0.200 . 1 . . . . 105 PRO CB . 18426 1 156 . 1 1 16 16 PRO CG C 13 27.349 0.200 . 1 . . . . 105 PRO CG . 18426 1 157 . 1 1 16 16 PRO CD C 13 50.702 0.200 . 1 . . . . 105 PRO CD . 18426 1 158 . 1 1 17 17 LYS H H 1 8.515 0.020 . 1 . . . . 106 LYS H . 18426 1 159 . 1 1 17 17 LYS HA H 1 4.390 0.020 . 1 . . . . 106 LYS HA . 18426 1 160 . 1 1 17 17 LYS HB2 H 1 1.842 0.020 . 1 . . . . 106 LYS HB2 . 18426 1 161 . 1 1 17 17 LYS HB3 H 1 1.747 0.020 . 1 . . . . 106 LYS HB3 . 18426 1 162 . 1 1 17 17 LYS HG2 H 1 1.487 0.020 . 1 . . . . 106 LYS HG2 . 18426 1 163 . 1 1 17 17 LYS HG3 H 1 1.444 0.020 . 1 . . . . 106 LYS HG3 . 18426 1 164 . 1 1 17 17 LYS HD2 H 1 1.688 0.020 . 1 . . . . 106 LYS HD2 . 18426 1 165 . 1 1 17 17 LYS HD3 H 1 1.650 0.020 . 1 . . . . 106 LYS HD3 . 18426 1 166 . 1 1 17 17 LYS HE2 H 1 2.989 0.020 . 2 . . . . 106 LYS HE2 . 18426 1 167 . 1 1 17 17 LYS HE3 H 1 2.949 0.020 . 2 . . . . 106 LYS HE3 . 18426 1 168 . 1 1 17 17 LYS CA C 13 56.175 0.200 . 1 . . . . 106 LYS CA . 18426 1 169 . 1 1 17 17 LYS CB C 13 32.963 0.200 . 1 . . . . 106 LYS CB . 18426 1 170 . 1 1 17 17 LYS CG C 13 24.901 0.200 . 1 . . . . 106 LYS CG . 18426 1 171 . 1 1 17 17 LYS CD C 13 28.962 0.200 . 1 . . . . 106 LYS CD . 18426 1 172 . 1 1 17 17 LYS CE C 13 41.919 0.200 . 1 . . . . 106 LYS CE . 18426 1 173 . 1 1 17 17 LYS N N 15 122.055 0.200 . 1 . . . . 106 LYS N . 18426 1 174 . 1 1 18 18 THR H H 1 8.141 0.020 . 1 . . . . 107 THR H . 18426 1 175 . 1 1 18 18 THR HA H 1 4.307 0.020 . 1 . . . . 107 THR HA . 18426 1 176 . 1 1 18 18 THR HB H 1 4.148 0.020 . 1 . . . . 107 THR HB . 18426 1 177 . 1 1 18 18 THR HG21 H 1 1.165 0.020 . 1 . . . . 107 THR HG2 . 18426 1 178 . 1 1 18 18 THR HG22 H 1 1.165 0.020 . 1 . . . . 107 THR HG2 . 18426 1 179 . 1 1 18 18 THR HG23 H 1 1.165 0.020 . 1 . . . . 107 THR HG2 . 18426 1 180 . 1 1 18 18 THR CA C 13 61.547 0.200 . 1 . . . . 107 THR CA . 18426 1 181 . 1 1 18 18 THR CB C 13 69.722 0.200 . 1 . . . . 107 THR CB . 18426 1 182 . 1 1 18 18 THR CG2 C 13 21.497 0.200 . 1 . . . . 107 THR CG2 . 18426 1 183 . 1 1 18 18 THR N N 15 115.216 0.200 . 1 . . . . 107 THR N . 18426 1 184 . 1 1 19 19 ASN H H 1 8.534 0.020 . 1 . . . . 108 ASN H . 18426 1 185 . 1 1 19 19 ASN HA H 1 4.696 0.020 . 1 . . . . 108 ASN HA . 18426 1 186 . 1 1 19 19 ASN HB2 H 1 2.819 0.020 . 1 . . . . 108 ASN HB2 . 18426 1 187 . 1 1 19 19 ASN HB3 H 1 2.750 0.020 . 1 . . . . 108 ASN HB3 . 18426 1 188 . 1 1 19 19 ASN HD21 H 1 7.591 0.020 . 1 . . . . 108 ASN HD21 . 18426 1 189 . 1 1 19 19 ASN HD22 H 1 6.891 0.020 . 1 . . . . 108 ASN HD22 . 18426 1 190 . 1 1 19 19 ASN CA C 13 53.052 0.200 . 1 . . . . 108 ASN CA . 18426 1 191 . 1 1 19 19 ASN CB C 13 38.704 0.200 . 1 . . . . 108 ASN CB . 18426 1 192 . 1 1 19 19 ASN N N 15 121.302 0.200 . 1 . . . . 108 ASN N . 18426 1 193 . 1 1 19 19 ASN ND2 N 15 112.614 0.200 . 1 . . . . 108 ASN ND2 . 18426 1 194 . 1 1 20 20 MET H H 1 8.347 0.020 . 1 . . . . 109 MET H . 18426 1 195 . 1 1 20 20 MET HA H 1 4.426 0.020 . 1 . . . . 109 MET HA . 18426 1 196 . 1 1 20 20 MET HB2 H 1 2.005 0.020 . 1 . . . . 109 MET HB2 . 18426 1 197 . 1 1 20 20 MET HB3 H 1 1.944 0.020 . 1 . . . . 109 MET HB3 . 18426 1 198 . 1 1 20 20 MET HG2 H 1 2.550 0.020 . 1 . . . . 109 MET HG2 . 18426 1 199 . 1 1 20 20 MET HG3 H 1 2.477 0.020 . 1 . . . . 109 MET HG3 . 18426 1 200 . 1 1 20 20 MET HE1 H 1 2.147 0.020 . 1 . . . . 109 MET HE . 18426 1 201 . 1 1 20 20 MET HE2 H 1 2.147 0.020 . 1 . . . . 109 MET HE . 18426 1 202 . 1 1 20 20 MET HE3 H 1 2.147 0.020 . 1 . . . . 109 MET HE . 18426 1 203 . 1 1 20 20 MET CA C 13 55.413 0.200 . 1 . . . . 109 MET CA . 18426 1 204 . 1 1 20 20 MET CB C 13 32.779 0.200 . 1 . . . . 109 MET CB . 18426 1 205 . 1 1 20 20 MET CG C 13 31.955 0.200 . 1 . . . . 109 MET CG . 18426 1 206 . 1 1 20 20 MET CE C 13 17.815 0.200 . 1 . . . . 109 MET CE . 18426 1 207 . 1 1 20 20 MET N N 15 121.254 0.200 . 1 . . . . 109 MET N . 18426 1 208 . 1 1 21 21 LYS H H 1 8.301 0.020 . 1 . . . . 110 LYS H . 18426 1 209 . 1 1 21 21 LYS HA H 1 4.219 0.020 . 1 . . . . 110 LYS HA . 18426 1 210 . 1 1 21 21 LYS HB2 H 1 1.746 0.020 . 1 . . . . 110 LYS HB2 . 18426 1 211 . 1 1 21 21 LYS HB3 H 1 1.716 0.020 . 1 . . . . 110 LYS HB3 . 18426 1 212 . 1 1 21 21 LYS HG2 H 1 1.392 0.020 . 1 . . . . 110 LYS HG2 . 18426 1 213 . 1 1 21 21 LYS HG3 H 1 1.333 0.020 . 1 . . . . 110 LYS HG3 . 18426 1 214 . 1 1 21 21 LYS HD2 H 1 1.688 0.020 . 1 . . . . 110 LYS HD2 . 18426 1 215 . 1 1 21 21 LYS HD3 H 1 1.646 0.020 . 1 . . . . 110 LYS HD3 . 18426 1 216 . 1 1 21 21 LYS HE2 H 1 2.953 0.020 . 1 . . . . 110 LYS HE2 . 18426 1 217 . 1 1 21 21 LYS HE3 H 1 2.882 0.020 . 1 . . . . 110 LYS HE3 . 18426 1 218 . 1 1 21 21 LYS CA C 13 56.435 0.200 . 1 . . . . 110 LYS CA . 18426 1 219 . 1 1 21 21 LYS CB C 13 32.846 0.200 . 1 . . . . 110 LYS CB . 18426 1 220 . 1 1 21 21 LYS CG C 13 24.789 0.200 . 1 . . . . 110 LYS CG . 18426 1 221 . 1 1 21 21 LYS CD C 13 28.924 0.200 . 1 . . . . 110 LYS CD . 18426 1 222 . 1 1 21 21 LYS CE C 13 42.048 0.200 . 1 . . . . 110 LYS CE . 18426 1 223 . 1 1 21 21 LYS N N 15 122.203 0.200 . 1 . . . . 110 LYS N . 18426 1 224 . 1 1 22 22 HIS H H 1 8.438 0.020 . 1 . . . . 111 HIS H . 18426 1 225 . 1 1 22 22 HIS HA H 1 4.621 0.020 . 1 . . . . 111 HIS HA . 18426 1 226 . 1 1 22 22 HIS HB2 H 1 3.173 0.020 . 1 . . . . 111 HIS HB2 . 18426 1 227 . 1 1 22 22 HIS HB3 H 1 3.121 0.020 . 1 . . . . 111 HIS HB3 . 18426 1 228 . 1 1 22 22 HIS HD2 H 1 7.209 0.020 . 1 . . . . 111 HIS HD2 . 18426 1 229 . 1 1 22 22 HIS CA C 13 55.455 0.200 . 1 . . . . 111 HIS CA . 18426 1 230 . 1 1 22 22 HIS CB C 13 29.556 0.200 . 1 . . . . 111 HIS CB . 18426 1 231 . 1 1 22 22 HIS CD2 C 13 119.504 0.200 . 1 . . . . 111 HIS CD2 . 18426 1 232 . 1 1 22 22 HIS N N 15 119.944 0.200 . 1 . . . . 111 HIS N . 18426 1 233 . 1 1 23 23 MET H H 1 8.353 0.020 . 1 . . . . 112 MET H . 18426 1 234 . 1 1 23 23 MET HA H 1 4.443 0.020 . 1 . . . . 112 MET HA . 18426 1 235 . 1 1 23 23 MET HB2 H 1 2.041 0.020 . 1 . . . . 112 MET HB2 . 18426 1 236 . 1 1 23 23 MET HB3 H 1 1.944 0.020 . 1 . . . . 112 MET HB3 . 18426 1 237 . 1 1 23 23 MET HG2 H 1 2.550 0.020 . 1 . . . . 112 MET HG2 . 18426 1 238 . 1 1 23 23 MET HG3 H 1 2.477 0.020 . 1 . . . . 112 MET HG3 . 18426 1 239 . 1 1 23 23 MET HE1 H 1 2.066 0.020 . 1 . . . . 112 MET HE . 18426 1 240 . 1 1 23 23 MET HE2 H 1 2.066 0.020 . 1 . . . . 112 MET HE . 18426 1 241 . 1 1 23 23 MET HE3 H 1 2.066 0.020 . 1 . . . . 112 MET HE . 18426 1 242 . 1 1 23 23 MET CA C 13 55.187 0.200 . 1 . . . . 112 MET CA . 18426 1 243 . 1 1 23 23 MET CB C 13 32.879 0.200 . 1 . . . . 112 MET CB . 18426 1 244 . 1 1 23 23 MET CG C 13 31.927 0.200 . 1 . . . . 112 MET CG . 18426 1 245 . 1 1 23 23 MET CE C 13 16.931 0.200 . 1 . . . . 112 MET CE . 18426 1 246 . 1 1 23 23 MET N N 15 122.475 0.200 . 1 . . . . 112 MET N . 18426 1 247 . 1 1 24 24 ALA H H 1 8.390 0.020 . 1 . . . . 113 ALA H . 18426 1 248 . 1 1 24 24 ALA HA H 1 4.285 0.020 . 1 . . . . 113 ALA HA . 18426 1 249 . 1 1 24 24 ALA HB1 H 1 1.378 0.020 . 1 . . . . 113 ALA HB . 18426 1 250 . 1 1 24 24 ALA HB2 H 1 1.378 0.020 . 1 . . . . 113 ALA HB . 18426 1 251 . 1 1 24 24 ALA HB3 H 1 1.378 0.020 . 1 . . . . 113 ALA HB . 18426 1 252 . 1 1 24 24 ALA CA C 13 52.532 0.200 . 1 . . . . 113 ALA CA . 18426 1 253 . 1 1 24 24 ALA CB C 13 19.221 0.200 . 1 . . . . 113 ALA CB . 18426 1 254 . 1 1 24 24 ALA N N 15 125.668 0.200 . 1 . . . . 113 ALA N . 18426 1 255 . 1 1 25 25 GLY H H 1 8.382 0.020 . 1 . . . . 114 GLY H . 18426 1 256 . 1 1 25 25 GLY HA2 H 1 3.926 0.020 . 1 . . . . 114 GLY HA2 . 18426 1 257 . 1 1 25 25 GLY HA3 H 1 3.914 0.020 . 1 . . . . 114 GLY HA3 . 18426 1 258 . 1 1 25 25 GLY CA C 13 45.143 0.200 . 1 . . . . 114 GLY CA . 18426 1 259 . 1 1 25 25 GLY N N 15 108.480 0.200 . 1 . . . . 114 GLY N . 18426 1 260 . 1 1 26 26 ALA H H 1 8.138 0.020 . 1 . . . . 115 ALA H . 18426 1 261 . 1 1 26 26 ALA HA H 1 4.268 0.020 . 1 . . . . 115 ALA HA . 18426 1 262 . 1 1 26 26 ALA HB1 H 1 1.366 0.020 . 1 . . . . 115 ALA HB . 18426 1 263 . 1 1 26 26 ALA HB2 H 1 1.366 0.020 . 1 . . . . 115 ALA HB . 18426 1 264 . 1 1 26 26 ALA HB3 H 1 1.366 0.020 . 1 . . . . 115 ALA HB . 18426 1 265 . 1 1 26 26 ALA CA C 13 52.461 0.200 . 1 . . . . 115 ALA CA . 18426 1 266 . 1 1 26 26 ALA CB C 13 19.229 0.200 . 1 . . . . 115 ALA CB . 18426 1 267 . 1 1 26 26 ALA N N 15 123.859 0.200 . 1 . . . . 115 ALA N . 18426 1 268 . 1 1 27 27 ALA H H 1 8.271 0.020 . 1 . . . . 116 ALA H . 18426 1 269 . 1 1 27 27 ALA HA H 1 4.265 0.020 . 1 . . . . 116 ALA HA . 18426 1 270 . 1 1 27 27 ALA HB1 H 1 1.364 0.020 . 1 . . . . 116 ALA HB . 18426 1 271 . 1 1 27 27 ALA HB2 H 1 1.364 0.020 . 1 . . . . 116 ALA HB . 18426 1 272 . 1 1 27 27 ALA HB3 H 1 1.364 0.020 . 1 . . . . 116 ALA HB . 18426 1 273 . 1 1 27 27 ALA CA C 13 52.392 0.200 . 1 . . . . 116 ALA CA . 18426 1 274 . 1 1 27 27 ALA CB C 13 19.134 0.200 . 1 . . . . 116 ALA CB . 18426 1 275 . 1 1 27 27 ALA N N 15 123.153 0.200 . 1 . . . . 116 ALA N . 18426 1 276 . 1 1 28 28 ALA H H 1 8.171 0.020 . 1 . . . . 117 ALA H . 18426 1 277 . 1 1 28 28 ALA HA H 1 4.264 0.020 . 1 . . . . 117 ALA HA . 18426 1 278 . 1 1 28 28 ALA HB1 H 1 1.364 0.020 . 1 . . . . 117 ALA HB . 18426 1 279 . 1 1 28 28 ALA HB2 H 1 1.364 0.020 . 1 . . . . 117 ALA HB . 18426 1 280 . 1 1 28 28 ALA HB3 H 1 1.364 0.020 . 1 . . . . 117 ALA HB . 18426 1 281 . 1 1 28 28 ALA CA C 13 52.328 0.200 . 1 . . . . 117 ALA CA . 18426 1 282 . 1 1 28 28 ALA CB C 13 19.103 0.200 . 1 . . . . 117 ALA CB . 18426 1 283 . 1 1 28 28 ALA N N 15 123.227 0.200 . 1 . . . . 117 ALA N . 18426 1 284 . 1 1 29 29 ALA H H 1 8.207 0.020 . 1 . . . . 118 ALA H . 18426 1 285 . 1 1 29 29 ALA HA H 1 4.272 0.020 . 1 . . . . 118 ALA HA . 18426 1 286 . 1 1 29 29 ALA HB1 H 1 1.364 0.020 . 1 . . . . 118 ALA HB . 18426 1 287 . 1 1 29 29 ALA HB2 H 1 1.364 0.020 . 1 . . . . 118 ALA HB . 18426 1 288 . 1 1 29 29 ALA HB3 H 1 1.364 0.020 . 1 . . . . 118 ALA HB . 18426 1 289 . 1 1 29 29 ALA CA C 13 52.539 0.200 . 1 . . . . 118 ALA CA . 18426 1 290 . 1 1 29 29 ALA CB C 13 19.134 0.200 . 1 . . . . 118 ALA CB . 18426 1 291 . 1 1 29 29 ALA N N 15 123.206 0.200 . 1 . . . . 118 ALA N . 18426 1 292 . 1 1 30 30 GLY H H 1 8.274 0.020 . 1 . . . . 119 GLY H . 18426 1 293 . 1 1 30 30 GLY HA2 H 1 3.921 0.020 . 2 . . . . 119 GLY HA2 . 18426 1 294 . 1 1 30 30 GLY HA3 H 1 3.921 0.020 . 2 . . . . 119 GLY HA3 . 18426 1 295 . 1 1 30 30 GLY CA C 13 45.087 0.200 . 1 . . . . 119 GLY CA . 18426 1 296 . 1 1 30 30 GLY N N 15 107.892 0.200 . 1 . . . . 119 GLY N . 18426 1 297 . 1 1 31 31 ALA H H 1 8.044 0.020 . 1 . . . . 120 ALA H . 18426 1 298 . 1 1 31 31 ALA HA H 1 4.331 0.020 . 1 . . . . 120 ALA HA . 18426 1 299 . 1 1 31 31 ALA HB1 H 1 1.337 0.020 . 1 . . . . 120 ALA HB . 18426 1 300 . 1 1 31 31 ALA HB2 H 1 1.337 0.020 . 1 . . . . 120 ALA HB . 18426 1 301 . 1 1 31 31 ALA HB3 H 1 1.337 0.020 . 1 . . . . 120 ALA HB . 18426 1 302 . 1 1 31 31 ALA CA C 13 52.291 0.200 . 1 . . . . 120 ALA CA . 18426 1 303 . 1 1 31 31 ALA CB C 13 19.487 0.200 . 1 . . . . 120 ALA CB . 18426 1 304 . 1 1 31 31 ALA N N 15 123.528 0.200 . 1 . . . . 120 ALA N . 18426 1 305 . 1 1 32 32 VAL H H 1 8.110 0.020 . 1 . . . . 121 VAL H . 18426 1 306 . 1 1 32 32 VAL HA H 1 4.107 0.020 . 1 . . . . 121 VAL HA . 18426 1 307 . 1 1 32 32 VAL HB H 1 2.007 0.020 . 1 . . . . 121 VAL HB . 18426 1 308 . 1 1 32 32 VAL HG11 H 1 0.886 0.020 . 1 . . . . 121 VAL HG1 . 18426 1 309 . 1 1 32 32 VAL HG12 H 1 0.886 0.020 . 1 . . . . 121 VAL HG1 . 18426 1 310 . 1 1 32 32 VAL HG13 H 1 0.886 0.020 . 1 . . . . 121 VAL HG1 . 18426 1 311 . 1 1 32 32 VAL HG21 H 1 0.846 0.020 . 1 . . . . 121 VAL HG2 . 18426 1 312 . 1 1 32 32 VAL HG22 H 1 0.846 0.020 . 1 . . . . 121 VAL HG2 . 18426 1 313 . 1 1 32 32 VAL HG23 H 1 0.846 0.020 . 1 . . . . 121 VAL HG2 . 18426 1 314 . 1 1 32 32 VAL CA C 13 62.141 0.200 . 1 . . . . 121 VAL CA . 18426 1 315 . 1 1 32 32 VAL CB C 13 32.702 0.200 . 1 . . . . 121 VAL CB . 18426 1 316 . 1 1 32 32 VAL CG1 C 13 20.554 0.200 . 1 . . . . 121 VAL CG1 . 18426 1 317 . 1 1 32 32 VAL CG2 C 13 21.192 0.200 . 1 . . . . 121 VAL CG2 . 18426 1 318 . 1 1 32 32 VAL N N 15 119.567 0.200 . 1 . . . . 121 VAL N . 18426 1 319 . 1 1 33 33 VAL H H 1 8.262 0.020 . 1 . . . . 122 VAL H . 18426 1 320 . 1 1 33 33 VAL HA H 1 4.067 0.020 . 1 . . . . 122 VAL HA . 18426 1 321 . 1 1 33 33 VAL HB H 1 2.005 0.020 . 1 . . . . 122 VAL HB . 18426 1 322 . 1 1 33 33 VAL HG11 H 1 0.888 0.020 . 1 . . . . 122 VAL HG1 . 18426 1 323 . 1 1 33 33 VAL HG12 H 1 0.888 0.020 . 1 . . . . 122 VAL HG1 . 18426 1 324 . 1 1 33 33 VAL HG13 H 1 0.888 0.020 . 1 . . . . 122 VAL HG1 . 18426 1 325 . 1 1 33 33 VAL HG21 H 1 0.846 0.020 . 1 . . . . 122 VAL HG2 . 18426 1 326 . 1 1 33 33 VAL HG22 H 1 0.846 0.020 . 1 . . . . 122 VAL HG2 . 18426 1 327 . 1 1 33 33 VAL HG23 H 1 0.846 0.020 . 1 . . . . 122 VAL HG2 . 18426 1 328 . 1 1 33 33 VAL CA C 13 62.428 0.200 . 1 . . . . 122 VAL CA . 18426 1 329 . 1 1 33 33 VAL CB C 13 32.665 0.200 . 1 . . . . 122 VAL CB . 18426 1 330 . 1 1 33 33 VAL CG1 C 13 20.669 0.200 . 1 . . . . 122 VAL CG1 . 18426 1 331 . 1 1 33 33 VAL CG2 C 13 21.159 0.200 . 1 . . . . 122 VAL CG2 . 18426 1 332 . 1 1 33 33 VAL N N 15 124.622 0.200 . 1 . . . . 122 VAL N . 18426 1 333 . 1 1 34 34 GLY H H 1 8.535 0.020 . 1 . . . . 123 GLY H . 18426 1 334 . 1 1 34 34 GLY HA2 H 1 3.920 0.020 . 2 . . . . 123 GLY HA2 . 18426 1 335 . 1 1 34 34 GLY HA3 H 1 3.920 0.020 . 2 . . . . 123 GLY HA3 . 18426 1 336 . 1 1 34 34 GLY CA C 13 45.232 0.200 . 1 . . . . 123 GLY CA . 18426 1 337 . 1 1 34 34 GLY N N 15 113.188 0.200 . 1 . . . . 123 GLY N . 18426 1 338 . 1 1 35 35 GLY H H 1 8.252 0.020 . 1 . . . . 124 GLY H . 18426 1 339 . 1 1 35 35 GLY HA2 H 1 3.920 0.020 . 2 . . . . 124 GLY HA2 . 18426 1 340 . 1 1 35 35 GLY HA3 H 1 3.920 0.020 . 2 . . . . 124 GLY HA3 . 18426 1 341 . 1 1 35 35 GLY CA C 13 45.277 0.200 . 1 . . . . 124 GLY CA . 18426 1 342 . 1 1 35 35 GLY N N 15 108.431 0.200 . 1 . . . . 124 GLY N . 18426 1 343 . 1 1 36 36 LEU H H 1 8.225 0.020 . 1 . . . . 125 LEU H . 18426 1 344 . 1 1 36 36 LEU HA H 1 4.332 0.020 . 1 . . . . 125 LEU HA . 18426 1 345 . 1 1 36 36 LEU HB2 H 1 1.581 0.020 . 1 . . . . 125 LEU HB2 . 18426 1 346 . 1 1 36 36 LEU HB3 H 1 1.503 0.020 . 1 . . . . 125 LEU HB3 . 18426 1 347 . 1 1 36 36 LEU HG H 1 1.446 0.020 . 1 . . . . 125 LEU HG . 18426 1 348 . 1 1 36 36 LEU HD11 H 1 0.611 0.020 . 1 . . . . 125 LEU HD1 . 18426 1 349 . 1 1 36 36 LEU HD12 H 1 0.611 0.020 . 1 . . . . 125 LEU HD1 . 18426 1 350 . 1 1 36 36 LEU HD13 H 1 0.611 0.020 . 1 . . . . 125 LEU HD1 . 18426 1 351 . 1 1 36 36 LEU HD21 H 1 0.495 0.020 . 1 . . . . 125 LEU HD2 . 18426 1 352 . 1 1 36 36 LEU HD22 H 1 0.495 0.020 . 1 . . . . 125 LEU HD2 . 18426 1 353 . 1 1 36 36 LEU HD23 H 1 0.495 0.020 . 1 . . . . 125 LEU HD2 . 18426 1 354 . 1 1 36 36 LEU CA C 13 54.823 0.200 . 1 . . . . 125 LEU CA . 18426 1 355 . 1 1 36 36 LEU CB C 13 42.450 0.200 . 1 . . . . 125 LEU CB . 18426 1 356 . 1 1 36 36 LEU CG C 13 26.882 0.200 . 1 . . . . 125 LEU CG . 18426 1 357 . 1 1 36 36 LEU CD1 C 13 24.628 0.200 . 1 . . . . 125 LEU CD1 . 18426 1 358 . 1 1 36 36 LEU CD2 C 13 23.449 0.200 . 1 . . . . 125 LEU CD2 . 18426 1 359 . 1 1 36 36 LEU N N 15 121.697 0.200 . 1 . . . . 125 LEU N . 18426 1 360 . 1 1 37 37 GLY H H 1 8.510 0.020 . 1 . . . . 126 GLY H . 18426 1 361 . 1 1 37 37 GLY HA2 H 1 3.911 0.020 . 1 . . . . 126 GLY HA2 . 18426 1 362 . 1 1 37 37 GLY HA3 H 1 3.822 0.020 . 1 . . . . 126 GLY HA3 . 18426 1 363 . 1 1 37 37 GLY CA C 13 46.227 0.200 . 1 . . . . 126 GLY CA . 18426 1 364 . 1 1 37 37 GLY N N 15 109.811 0.200 . 1 . . . . 126 GLY N . 18426 1 365 . 1 1 38 38 GLY H H 1 8.370 0.020 . 1 . . . . 127 GLY H . 18426 1 366 . 1 1 38 38 GLY HA2 H 1 3.748 0.020 . 1 . . . . 127 GLY HA2 . 18426 1 367 . 1 1 38 38 GLY HA3 H 1 3.884 0.020 . 1 . . . . 127 GLY HA3 . 18426 1 368 . 1 1 38 38 GLY CA C 13 45.127 0.200 . 1 . . . . 127 GLY CA . 18426 1 369 . 1 1 38 38 GLY N N 15 109.398 0.200 . 1 . . . . 127 GLY N . 18426 1 370 . 1 1 39 39 TYR H H 1 7.750 0.020 . 1 . . . . 128 TYR H . 18426 1 371 . 1 1 39 39 TYR HA H 1 4.476 0.020 . 1 . . . . 128 TYR HA . 18426 1 372 . 1 1 39 39 TYR HB2 H 1 2.763 0.020 . 1 . . . . 128 TYR HB2 . 18426 1 373 . 1 1 39 39 TYR HB3 H 1 2.858 0.020 . 1 . . . . 128 TYR HB3 . 18426 1 374 . 1 1 39 39 TYR HD1 H 1 6.785 0.020 . 3 . . . . 128 TYR HD1 . 18426 1 375 . 1 1 39 39 TYR HD2 H 1 6.785 0.020 . 3 . . . . 128 TYR HD2 . 18426 1 376 . 1 1 39 39 TYR HE1 H 1 6.587 0.020 . 3 . . . . 128 TYR HE1 . 18426 1 377 . 1 1 39 39 TYR HE2 H 1 6.587 0.020 . 3 . . . . 128 TYR HE2 . 18426 1 378 . 1 1 39 39 TYR CA C 13 58.038 0.200 . 1 . . . . 128 TYR CA . 18426 1 379 . 1 1 39 39 TYR CB C 13 40.376 0.200 . 1 . . . . 128 TYR CB . 18426 1 380 . 1 1 39 39 TYR CD1 C 13 132.738 0.200 . 3 . . . . 128 TYR CD1 . 18426 1 381 . 1 1 39 39 TYR CD2 C 13 132.738 0.200 . 3 . . . . 128 TYR CD2 . 18426 1 382 . 1 1 39 39 TYR CE1 C 13 117.791 0.200 . 3 . . . . 128 TYR CE1 . 18426 1 383 . 1 1 39 39 TYR CE2 C 13 117.791 0.200 . 3 . . . . 128 TYR CE2 . 18426 1 384 . 1 1 39 39 TYR N N 15 117.683 0.200 . 1 . . . . 128 TYR N . 18426 1 385 . 1 1 40 40 MET H H 1 9.014 0.020 . 1 . . . . 129 MET H . 18426 1 386 . 1 1 40 40 MET HA H 1 4.516 0.020 . 1 . . . . 129 MET HA . 18426 1 387 . 1 1 40 40 MET HB2 H 1 0.939 0.020 . 1 . . . . 129 MET HB2 . 18426 1 388 . 1 1 40 40 MET HB3 H 1 1.566 0.020 . 1 . . . . 129 MET HB3 . 18426 1 389 . 1 1 40 40 MET HG2 H 1 2.280 0.020 . 1 . . . . 129 MET HG2 . 18426 1 390 . 1 1 40 40 MET HG3 H 1 2.195 0.020 . 1 . . . . 129 MET HG3 . 18426 1 391 . 1 1 40 40 MET HE1 H 1 1.999 0.020 . 1 . . . . 129 MET HE . 18426 1 392 . 1 1 40 40 MET HE2 H 1 1.999 0.020 . 1 . . . . 129 MET HE . 18426 1 393 . 1 1 40 40 MET HE3 H 1 1.999 0.020 . 1 . . . . 129 MET HE . 18426 1 394 . 1 1 40 40 MET CA C 13 53.543 0.200 . 1 . . . . 129 MET CA . 18426 1 395 . 1 1 40 40 MET CB C 13 34.782 0.200 . 1 . . . . 129 MET CB . 18426 1 396 . 1 1 40 40 MET CG C 13 32.198 0.200 . 1 . . . . 129 MET CG . 18426 1 397 . 1 1 40 40 MET CE C 13 17.151 0.200 . 1 . . . . 129 MET CE . 18426 1 398 . 1 1 40 40 MET N N 15 120.933 0.200 . 1 . . . . 129 MET N . 18426 1 399 . 1 1 41 41 LEU H H 1 8.040 0.020 . 1 . . . . 130 LEU H . 18426 1 400 . 1 1 41 41 LEU HA H 1 4.473 0.020 . 1 . . . . 130 LEU HA . 18426 1 401 . 1 1 41 41 LEU HB2 H 1 1.582 0.020 . 1 . . . . 130 LEU HB2 . 18426 1 402 . 1 1 41 41 LEU HB3 H 1 0.970 0.020 . 1 . . . . 130 LEU HB3 . 18426 1 403 . 1 1 41 41 LEU HG H 1 1.362 0.020 . 1 . . . . 130 LEU HG . 18426 1 404 . 1 1 41 41 LEU HD11 H 1 -0.015 0.020 . 1 . . . . 130 LEU HD1 . 18426 1 405 . 1 1 41 41 LEU HD12 H 1 -0.015 0.020 . 1 . . . . 130 LEU HD1 . 18426 1 406 . 1 1 41 41 LEU HD13 H 1 -0.015 0.020 . 1 . . . . 130 LEU HD1 . 18426 1 407 . 1 1 41 41 LEU HD21 H 1 0.583 0.020 . 1 . . . . 130 LEU HD2 . 18426 1 408 . 1 1 41 41 LEU HD22 H 1 0.583 0.020 . 1 . . . . 130 LEU HD2 . 18426 1 409 . 1 1 41 41 LEU HD23 H 1 0.583 0.020 . 1 . . . . 130 LEU HD2 . 18426 1 410 . 1 1 41 41 LEU CA C 13 53.379 0.200 . 1 . . . . 130 LEU CA . 18426 1 411 . 1 1 41 41 LEU CB C 13 43.545 0.200 . 1 . . . . 130 LEU CB . 18426 1 412 . 1 1 41 41 LEU CG C 13 26.040 0.200 . 1 . . . . 130 LEU CG . 18426 1 413 . 1 1 41 41 LEU CD1 C 13 21.743 0.200 . 1 . . . . 130 LEU CD1 . 18426 1 414 . 1 1 41 41 LEU CD2 C 13 25.672 0.200 . 1 . . . . 130 LEU CD2 . 18426 1 415 . 1 1 41 41 LEU N N 15 121.473 0.200 . 1 . . . . 130 LEU N . 18426 1 416 . 1 1 42 42 GLY H H 1 9.379 0.020 . 1 . . . . 131 GLY H . 18426 1 417 . 1 1 42 42 GLY HA2 H 1 3.934 0.020 . 1 . . . . 131 GLY HA2 . 18426 1 418 . 1 1 42 42 GLY HA3 H 1 4.395 0.020 . 1 . . . . 131 GLY HA3 . 18426 1 419 . 1 1 42 42 GLY CA C 13 44.744 0.200 . 1 . . . . 131 GLY CA . 18426 1 420 . 1 1 42 42 GLY N N 15 114.890 0.200 . 1 . . . . 131 GLY N . 18426 1 421 . 1 1 43 43 SER H H 1 8.357 0.020 . 1 . . . . 132 SER H . 18426 1 422 . 1 1 43 43 SER HA H 1 4.414 0.020 . 1 . . . . 132 SER HA . 18426 1 423 . 1 1 43 43 SER HB2 H 1 3.946 0.020 . 1 . . . . 132 SER HB2 . 18426 1 424 . 1 1 43 43 SER HB3 H 1 3.877 0.020 . 1 . . . . 132 SER HB3 . 18426 1 425 . 1 1 43 43 SER CA C 13 58.277 0.200 . 1 . . . . 132 SER CA . 18426 1 426 . 1 1 43 43 SER CB C 13 63.916 0.200 . 1 . . . . 132 SER CB . 18426 1 427 . 1 1 43 43 SER N N 15 113.716 0.200 . 1 . . . . 132 SER N . 18426 1 428 . 1 1 44 44 ALA H H 1 8.734 0.020 . 1 . . . . 133 ALA H . 18426 1 429 . 1 1 44 44 ALA HA H 1 4.419 0.020 . 1 . . . . 133 ALA HA . 18426 1 430 . 1 1 44 44 ALA HB1 H 1 1.263 0.020 . 1 . . . . 133 ALA HB . 18426 1 431 . 1 1 44 44 ALA HB2 H 1 1.263 0.020 . 1 . . . . 133 ALA HB . 18426 1 432 . 1 1 44 44 ALA HB3 H 1 1.263 0.020 . 1 . . . . 133 ALA HB . 18426 1 433 . 1 1 44 44 ALA CA C 13 52.915 0.200 . 1 . . . . 133 ALA CA . 18426 1 434 . 1 1 44 44 ALA CB C 13 18.423 0.200 . 1 . . . . 133 ALA CB . 18426 1 435 . 1 1 44 44 ALA N N 15 125.491 0.200 . 1 . . . . 133 ALA N . 18426 1 436 . 1 1 45 45 MET H H 1 8.697 0.020 . 1 . . . . 134 MET H . 18426 1 437 . 1 1 45 45 MET HA H 1 4.736 0.020 . 1 . . . . 134 MET HA . 18426 1 438 . 1 1 45 45 MET HB2 H 1 2.024 0.020 . 1 . . . . 134 MET HB2 . 18426 1 439 . 1 1 45 45 MET HB3 H 1 1.956 0.020 . 1 . . . . 134 MET HB3 . 18426 1 440 . 1 1 45 45 MET HG2 H 1 2.476 0.020 . 1 . . . . 134 MET HG2 . 18426 1 441 . 1 1 45 45 MET HG3 H 1 2.419 0.020 . 1 . . . . 134 MET HG3 . 18426 1 442 . 1 1 45 45 MET HE1 H 1 2.139 0.020 . 1 . . . . 134 MET HE . 18426 1 443 . 1 1 45 45 MET HE2 H 1 2.139 0.020 . 1 . . . . 134 MET HE . 18426 1 444 . 1 1 45 45 MET HE3 H 1 2.139 0.020 . 1 . . . . 134 MET HE . 18426 1 445 . 1 1 45 45 MET CA C 13 54.254 0.200 . 1 . . . . 134 MET CA . 18426 1 446 . 1 1 45 45 MET CB C 13 36.610 0.200 . 1 . . . . 134 MET CB . 18426 1 447 . 1 1 45 45 MET CG C 13 31.271 0.200 . 1 . . . . 134 MET CG . 18426 1 448 . 1 1 45 45 MET CE C 13 17.645 0.200 . 1 . . . . 134 MET CE . 18426 1 449 . 1 1 45 45 MET N N 15 120.884 0.200 . 1 . . . . 134 MET N . 18426 1 450 . 1 1 46 46 SER H H 1 8.416 0.020 . 1 . . . . 135 SER H . 18426 1 451 . 1 1 46 46 SER HA H 1 4.343 0.020 . 1 . . . . 135 SER HA . 18426 1 452 . 1 1 46 46 SER HB2 H 1 3.805 0.020 . 1 . . . . 135 SER HB2 . 18426 1 453 . 1 1 46 46 SER HB3 H 1 3.726 0.020 . 1 . . . . 135 SER HB3 . 18426 1 454 . 1 1 46 46 SER CA C 13 58.277 0.200 . 1 . . . . 135 SER CA . 18426 1 455 . 1 1 46 46 SER CB C 13 63.049 0.200 . 1 . . . . 135 SER CB . 18426 1 456 . 1 1 46 46 SER N N 15 116.308 0.200 . 1 . . . . 135 SER N . 18426 1 457 . 1 1 47 47 ARG H H 1 8.644 0.020 . 1 . . . . 136 ARG H . 18426 1 458 . 1 1 47 47 ARG HA H 1 4.395 0.020 . 1 . . . . 136 ARG HA . 18426 1 459 . 1 1 47 47 ARG HB2 H 1 1.688 0.020 . 1 . . . . 136 ARG HB2 . 18426 1 460 . 1 1 47 47 ARG HB3 H 1 1.646 0.020 . 1 . . . . 136 ARG HB3 . 18426 1 461 . 1 1 47 47 ARG HG2 H 1 1.923 0.020 . 2 . . . . 136 ARG HG2 . 18426 1 462 . 1 1 47 47 ARG HG3 H 1 1.928 0.020 . 2 . . . . 136 ARG HG3 . 18426 1 463 . 1 1 47 47 ARG HD2 H 1 3.183 0.020 . 1 . . . . 136 ARG HD2 . 18426 1 464 . 1 1 47 47 ARG HD3 H 1 3.101 0.020 . 1 . . . . 136 ARG HD3 . 18426 1 465 . 1 1 47 47 ARG CA C 13 54.722 0.200 . 1 . . . . 136 ARG CA . 18426 1 466 . 1 1 47 47 ARG CB C 13 29.021 0.200 . 1 . . . . 136 ARG CB . 18426 1 467 . 1 1 47 47 ARG CG C 13 28.537 0.200 . 1 . . . . 136 ARG CG . 18426 1 468 . 1 1 47 47 ARG CD C 13 43.515 0.200 . 1 . . . . 136 ARG CD . 18426 1 469 . 1 1 47 47 ARG N N 15 126.571 0.200 . 1 . . . . 136 ARG N . 18426 1 470 . 1 1 48 48 PRO HA H 1 4.408 0.020 . 1 . . . . 137 PRO HA . 18426 1 471 . 1 1 48 48 PRO HB2 H 1 1.743 0.020 . 1 . . . . 137 PRO HB2 . 18426 1 472 . 1 1 48 48 PRO HB3 H 1 2.219 0.020 . 1 . . . . 137 PRO HB3 . 18426 1 473 . 1 1 48 48 PRO HG2 H 1 2.004 0.020 . 2 . . . . 137 PRO HG2 . 18426 1 474 . 1 1 48 48 PRO HG3 H 1 2.004 0.020 . 2 . . . . 137 PRO HG3 . 18426 1 475 . 1 1 48 48 PRO HD2 H 1 3.914 0.020 . 2 . . . . 137 PRO HD2 . 18426 1 476 . 1 1 48 48 PRO HD3 H 1 3.914 0.020 . 2 . . . . 137 PRO HD3 . 18426 1 477 . 1 1 48 48 PRO CA C 13 62.368 0.200 . 1 . . . . 137 PRO CA . 18426 1 478 . 1 1 48 48 PRO CB C 13 32.221 0.200 . 1 . . . . 137 PRO CB . 18426 1 479 . 1 1 48 48 PRO CG C 13 27.316 0.200 . 1 . . . . 137 PRO CG . 18426 1 480 . 1 1 48 48 PRO CD C 13 50.674 0.200 . 1 . . . . 137 PRO CD . 18426 1 481 . 1 1 49 49 ILE H H 1 8.624 0.020 . 1 . . . . 138 ILE H . 18426 1 482 . 1 1 49 49 ILE HA H 1 4.129 0.020 . 1 . . . . 138 ILE HA . 18426 1 483 . 1 1 49 49 ILE HB H 1 1.892 0.020 . 1 . . . . 138 ILE HB . 18426 1 484 . 1 1 49 49 ILE HG12 H 1 1.580 0.020 . 1 . . . . 138 ILE HG12 . 18426 1 485 . 1 1 49 49 ILE HG13 H 1 1.367 0.020 . 1 . . . . 138 ILE HG13 . 18426 1 486 . 1 1 49 49 ILE HG21 H 1 0.720 0.020 . 1 . . . . 138 ILE HG2 . 18426 1 487 . 1 1 49 49 ILE HG22 H 1 0.720 0.020 . 1 . . . . 138 ILE HG2 . 18426 1 488 . 1 1 49 49 ILE HG23 H 1 0.720 0.020 . 1 . . . . 138 ILE HG2 . 18426 1 489 . 1 1 49 49 ILE HD11 H 1 0.881 0.020 . 1 . . . . 138 ILE HD1 . 18426 1 490 . 1 1 49 49 ILE HD12 H 1 0.881 0.020 . 1 . . . . 138 ILE HD1 . 18426 1 491 . 1 1 49 49 ILE HD13 H 1 0.881 0.020 . 1 . . . . 138 ILE HD1 . 18426 1 492 . 1 1 49 49 ILE CA C 13 60.908 0.200 . 1 . . . . 138 ILE CA . 18426 1 493 . 1 1 49 49 ILE CB C 13 36.095 0.200 . 1 . . . . 138 ILE CB . 18426 1 494 . 1 1 49 49 ILE CG1 C 13 27.259 0.200 . 1 . . . . 138 ILE CG1 . 18426 1 495 . 1 1 49 49 ILE CG2 C 13 17.422 0.200 . 1 . . . . 138 ILE CG2 . 18426 1 496 . 1 1 49 49 ILE CD1 C 13 11.311 0.200 . 1 . . . . 138 ILE CD1 . 18426 1 497 . 1 1 49 49 ILE N N 15 122.528 0.200 . 1 . . . . 138 ILE N . 18426 1 498 . 1 1 50 50 ILE H H 1 6.481 0.020 . 1 . . . . 139 ILE H . 18426 1 499 . 1 1 50 50 ILE HA H 1 3.907 0.020 . 1 . . . . 139 ILE HA . 18426 1 500 . 1 1 50 50 ILE HB H 1 0.866 0.020 . 1 . . . . 139 ILE HB . 18426 1 501 . 1 1 50 50 ILE HG12 H 1 0.755 0.020 . 1 . . . . 139 ILE HG12 . 18426 1 502 . 1 1 50 50 ILE HG13 H 1 0.878 0.020 . 1 . . . . 139 ILE HG13 . 18426 1 503 . 1 1 50 50 ILE HG21 H 1 -0.047 0.020 . 1 . . . . 139 ILE HG2 . 18426 1 504 . 1 1 50 50 ILE HG22 H 1 -0.047 0.020 . 1 . . . . 139 ILE HG2 . 18426 1 505 . 1 1 50 50 ILE HG23 H 1 -0.047 0.020 . 1 . . . . 139 ILE HG2 . 18426 1 506 . 1 1 50 50 ILE HD11 H 1 0.453 0.020 . 1 . . . . 139 ILE HD1 . 18426 1 507 . 1 1 50 50 ILE HD12 H 1 0.453 0.020 . 1 . . . . 139 ILE HD1 . 18426 1 508 . 1 1 50 50 ILE HD13 H 1 0.453 0.020 . 1 . . . . 139 ILE HD1 . 18426 1 509 . 1 1 50 50 ILE CA C 13 58.699 0.200 . 1 . . . . 139 ILE CA . 18426 1 510 . 1 1 50 50 ILE CB C 13 39.324 0.200 . 1 . . . . 139 ILE CB . 18426 1 511 . 1 1 50 50 ILE CG1 C 13 26.608 0.200 . 1 . . . . 139 ILE CG1 . 18426 1 512 . 1 1 50 50 ILE CG2 C 13 17.206 0.200 . 1 . . . . 139 ILE CG2 . 18426 1 513 . 1 1 50 50 ILE CD1 C 13 12.549 0.200 . 1 . . . . 139 ILE CD1 . 18426 1 514 . 1 1 50 50 ILE N N 15 126.657 0.200 . 1 . . . . 139 ILE N . 18426 1 515 . 1 1 51 51 HIS H H 1 8.222 0.020 . 1 . . . . 140 HIS H . 18426 1 516 . 1 1 51 51 HIS HA H 1 4.902 0.020 . 1 . . . . 140 HIS HA . 18426 1 517 . 1 1 51 51 HIS HB2 H 1 2.931 0.020 . 1 . . . . 140 HIS HB2 . 18426 1 518 . 1 1 51 51 HIS HB3 H 1 3.280 0.020 . 1 . . . . 140 HIS HB3 . 18426 1 519 . 1 1 51 51 HIS HD2 H 1 7.200 0.020 . 1 . . . . 140 HIS HD2 . 18426 1 520 . 1 1 51 51 HIS HE1 H 1 8.550 0.020 . 1 . . . . 140 HIS HE1 . 18426 1 521 . 1 1 51 51 HIS CA C 13 54.069 0.200 . 1 . . . . 140 HIS CA . 18426 1 522 . 1 1 51 51 HIS CB C 13 29.495 0.200 . 1 . . . . 140 HIS CB . 18426 1 523 . 1 1 51 51 HIS CD2 C 13 119.901 0.200 . 1 . . . . 140 HIS CD2 . 18426 1 524 . 1 1 51 51 HIS CE1 C 13 136.296 0.200 . 1 . . . . 140 HIS CE1 . 18426 1 525 . 1 1 51 51 HIS N N 15 121.965 0.200 . 1 . . . . 140 HIS N . 18426 1 526 . 1 1 52 52 PHE H H 1 10.169 0.020 . 1 . . . . 141 PHE H . 18426 1 527 . 1 1 52 52 PHE HA H 1 4.341 0.020 . 1 . . . . 141 PHE HA . 18426 1 528 . 1 1 52 52 PHE HB2 H 1 3.317 0.020 . 1 . . . . 141 PHE HB2 . 18426 1 529 . 1 1 52 52 PHE HB3 H 1 2.796 0.020 . 1 . . . . 141 PHE HB3 . 18426 1 530 . 1 1 52 52 PHE HD1 H 1 7.322 0.020 . 3 . . . . 141 PHE HD1 . 18426 1 531 . 1 1 52 52 PHE HD2 H 1 7.323 0.020 . 3 . . . . 141 PHE HD2 . 18426 1 532 . 1 1 52 52 PHE HE1 H 1 6.889 0.020 . 3 . . . . 141 PHE HE1 . 18426 1 533 . 1 1 52 52 PHE HE2 H 1 6.889 0.020 . 3 . . . . 141 PHE HE2 . 18426 1 534 . 1 1 52 52 PHE HZ H 1 6.694 0.020 . 1 . . . . 141 PHE HZ . 18426 1 535 . 1 1 52 52 PHE CA C 13 59.245 0.200 . 1 . . . . 141 PHE CA . 18426 1 536 . 1 1 52 52 PHE CB C 13 41.436 0.200 . 1 . . . . 141 PHE CB . 18426 1 537 . 1 1 52 52 PHE CD1 C 13 131.939 0.200 . 3 . . . . 141 PHE CD1 . 18426 1 538 . 1 1 52 52 PHE CD2 C 13 131.932 0.200 . 3 . . . . 141 PHE CD2 . 18426 1 539 . 1 1 52 52 PHE CE1 C 13 131.302 0.200 . 3 . . . . 141 PHE CE1 . 18426 1 540 . 1 1 52 52 PHE CE2 C 13 131.295 0.200 . 3 . . . . 141 PHE CE2 . 18426 1 541 . 1 1 52 52 PHE CZ C 13 129.412 0.200 . 1 . . . . 141 PHE CZ . 18426 1 542 . 1 1 52 52 PHE N N 15 124.250 0.200 . 1 . . . . 141 PHE N . 18426 1 543 . 1 1 53 53 GLY H H 1 8.997 0.020 . 1 . . . . 142 GLY H . 18426 1 544 . 1 1 53 53 GLY HA2 H 1 4.120 0.020 . 1 . . . . 142 GLY HA2 . 18426 1 545 . 1 1 53 53 GLY HA3 H 1 3.796 0.020 . 1 . . . . 142 GLY HA3 . 18426 1 546 . 1 1 53 53 GLY CA C 13 45.267 0.200 . 1 . . . . 142 GLY CA . 18426 1 547 . 1 1 53 53 GLY N N 15 108.385 0.200 . 1 . . . . 142 GLY N . 18426 1 548 . 1 1 54 54 SER H H 1 7.336 0.020 . 1 . . . . 143 SER H . 18426 1 549 . 1 1 54 54 SER HA H 1 4.797 0.020 . 1 . . . . 143 SER HA . 18426 1 550 . 1 1 54 54 SER HB2 H 1 4.104 0.020 . 1 . . . . 143 SER HB2 . 18426 1 551 . 1 1 54 54 SER HB3 H 1 3.920 0.020 . 1 . . . . 143 SER HB3 . 18426 1 552 . 1 1 54 54 SER CA C 13 56.638 0.200 . 1 . . . . 143 SER CA . 18426 1 553 . 1 1 54 54 SER CB C 13 65.984 0.200 . 1 . . . . 143 SER CB . 18426 1 554 . 1 1 54 54 SER N N 15 111.808 0.200 . 1 . . . . 143 SER N . 18426 1 555 . 1 1 55 55 ASP H H 1 9.014 0.020 . 1 . . . . 144 ASP H . 18426 1 556 . 1 1 55 55 ASP HA H 1 4.481 0.020 . 1 . . . . 144 ASP HA . 18426 1 557 . 1 1 55 55 ASP HB2 H 1 2.730 0.020 . 2 . . . . 144 ASP HB2 . 18426 1 558 . 1 1 55 55 ASP HB3 H 1 2.730 0.020 . 2 . . . . 144 ASP HB3 . 18426 1 559 . 1 1 55 55 ASP CA C 13 57.658 0.200 . 1 . . . . 144 ASP CA . 18426 1 560 . 1 1 55 55 ASP CB C 13 40.691 0.200 . 1 . . . . 144 ASP CB . 18426 1 561 . 1 1 55 55 ASP N N 15 124.257 0.200 . 1 . . . . 144 ASP N . 18426 1 562 . 1 1 56 56 TYR H H 1 8.552 0.020 . 1 . . . . 145 TYR H . 18426 1 563 . 1 1 56 56 TYR HA H 1 4.180 0.020 . 1 . . . . 145 TYR HA . 18426 1 564 . 1 1 56 56 TYR HB2 H 1 3.236 0.020 . 1 . . . . 145 TYR HB2 . 18426 1 565 . 1 1 56 56 TYR HB3 H 1 2.838 0.020 . 1 . . . . 145 TYR HB3 . 18426 1 566 . 1 1 56 56 TYR HD1 H 1 7.052 0.020 . 3 . . . . 145 TYR HD1 . 18426 1 567 . 1 1 56 56 TYR HD2 H 1 7.052 0.020 . 3 . . . . 145 TYR HD2 . 18426 1 568 . 1 1 56 56 TYR HE1 H 1 6.757 0.020 . 3 . . . . 145 TYR HE1 . 18426 1 569 . 1 1 56 56 TYR HE2 H 1 6.757 0.020 . 3 . . . . 145 TYR HE2 . 18426 1 570 . 1 1 56 56 TYR CA C 13 61.370 0.200 . 1 . . . . 145 TYR CA . 18426 1 571 . 1 1 56 56 TYR CB C 13 38.074 0.200 . 1 . . . . 145 TYR CB . 18426 1 572 . 1 1 56 56 TYR CD1 C 13 133.327 0.200 . 3 . . . . 145 TYR CD1 . 18426 1 573 . 1 1 56 56 TYR CD2 C 13 133.327 0.200 . 3 . . . . 145 TYR CD2 . 18426 1 574 . 1 1 56 56 TYR CE1 C 13 118.021 0.200 . 3 . . . . 145 TYR CE1 . 18426 1 575 . 1 1 56 56 TYR CE2 C 13 118.021 0.200 . 3 . . . . 145 TYR CE2 . 18426 1 576 . 1 1 56 56 TYR N N 15 118.987 0.200 . 1 . . . . 145 TYR N . 18426 1 577 . 1 1 57 57 GLU H H 1 7.744 0.020 . 1 . . . . 146 GLU H . 18426 1 578 . 1 1 57 57 GLU HA H 1 3.540 0.020 . 1 . . . . 146 GLU HA . 18426 1 579 . 1 1 57 57 GLU HB2 H 1 1.538 0.020 . 1 . . . . 146 GLU HB2 . 18426 1 580 . 1 1 57 57 GLU HB3 H 1 1.933 0.020 . 1 . . . . 146 GLU HB3 . 18426 1 581 . 1 1 57 57 GLU HG2 H 1 1.880 0.020 . 1 . . . . 146 GLU HG2 . 18426 1 582 . 1 1 57 57 GLU HG3 H 1 2.220 0.020 . 1 . . . . 146 GLU HG3 . 18426 1 583 . 1 1 57 57 GLU CA C 13 59.981 0.200 . 1 . . . . 146 GLU CA . 18426 1 584 . 1 1 57 57 GLU CB C 13 30.214 0.200 . 1 . . . . 146 GLU CB . 18426 1 585 . 1 1 57 57 GLU CG C 13 38.129 0.200 . 1 . . . . 146 GLU CG . 18426 1 586 . 1 1 57 57 GLU N N 15 119.202 0.200 . 1 . . . . 146 GLU N . 18426 1 587 . 1 1 58 58 ASP H H 1 8.149 0.020 . 1 . . . . 147 ASP H . 18426 1 588 . 1 1 58 58 ASP HA H 1 4.627 0.020 . 1 . . . . 147 ASP HA . 18426 1 589 . 1 1 58 58 ASP HB2 H 1 2.855 0.020 . 1 . . . . 147 ASP HB2 . 18426 1 590 . 1 1 58 58 ASP HB3 H 1 3.001 0.020 . 1 . . . . 147 ASP HB3 . 18426 1 591 . 1 1 58 58 ASP CA C 13 58.300 0.200 . 1 . . . . 147 ASP CA . 18426 1 592 . 1 1 58 58 ASP CB C 13 40.547 0.200 . 1 . . . . 147 ASP CB . 18426 1 593 . 1 1 58 58 ASP N N 15 119.599 0.200 . 1 . . . . 147 ASP N . 18426 1 594 . 1 1 59 59 ARG H H 1 8.186 0.020 . 1 . . . . 148 ARG H . 18426 1 595 . 1 1 59 59 ARG HA H 1 3.982 0.020 . 1 . . . . 148 ARG HA . 18426 1 596 . 1 1 59 59 ARG HB2 H 1 1.886 0.020 . 2 . . . . 148 ARG HB2 . 18426 1 597 . 1 1 59 59 ARG HB3 H 1 1.886 0.020 . 2 . . . . 148 ARG HB3 . 18426 1 598 . 1 1 59 59 ARG HG2 H 1 1.724 0.020 . 1 . . . . 148 ARG HG2 . 18426 1 599 . 1 1 59 59 ARG HG3 H 1 1.514 0.020 . 1 . . . . 148 ARG HG3 . 18426 1 600 . 1 1 59 59 ARG HD2 H 1 3.270 0.020 . 1 . . . . 148 ARG HD2 . 18426 1 601 . 1 1 59 59 ARG HD3 H 1 3.178 0.020 . 1 . . . . 148 ARG HD3 . 18426 1 602 . 1 1 59 59 ARG CA C 13 59.464 0.200 . 1 . . . . 148 ARG CA . 18426 1 603 . 1 1 59 59 ARG CB C 13 29.810 0.200 . 1 . . . . 148 ARG CB . 18426 1 604 . 1 1 59 59 ARG CG C 13 27.778 0.200 . 1 . . . . 148 ARG CG . 18426 1 605 . 1 1 59 59 ARG CD C 13 43.388 0.200 . 1 . . . . 148 ARG CD . 18426 1 606 . 1 1 59 59 ARG N N 15 120.281 0.200 . 1 . . . . 148 ARG N . 18426 1 607 . 1 1 60 60 TYR H H 1 8.329 0.020 . 1 . . . . 149 TYR H . 18426 1 608 . 1 1 60 60 TYR HA H 1 3.800 0.020 . 1 . . . . 149 TYR HA . 18426 1 609 . 1 1 60 60 TYR HB2 H 1 2.588 0.020 . 1 . . . . 149 TYR HB2 . 18426 1 610 . 1 1 60 60 TYR HB3 H 1 2.833 0.020 . 1 . . . . 149 TYR HB3 . 18426 1 611 . 1 1 60 60 TYR HD1 H 1 6.937 0.020 . 3 . . . . 149 TYR HD1 . 18426 1 612 . 1 1 60 60 TYR HD2 H 1 6.937 0.020 . 3 . . . . 149 TYR HD2 . 18426 1 613 . 1 1 60 60 TYR HE1 H 1 6.660 0.020 . 3 . . . . 149 TYR HE1 . 18426 1 614 . 1 1 60 60 TYR HE2 H 1 6.660 0.020 . 3 . . . . 149 TYR HE2 . 18426 1 615 . 1 1 60 60 TYR CA C 13 62.146 0.200 . 1 . . . . 149 TYR CA . 18426 1 616 . 1 1 60 60 TYR CB C 13 38.237 0.200 . 1 . . . . 149 TYR CB . 18426 1 617 . 1 1 60 60 TYR CD1 C 13 133.440 0.200 . 3 . . . . 149 TYR CD1 . 18426 1 618 . 1 1 60 60 TYR CD2 C 13 133.440 0.200 . 3 . . . . 149 TYR CD2 . 18426 1 619 . 1 1 60 60 TYR CE1 C 13 118.244 0.200 . 3 . . . . 149 TYR CE1 . 18426 1 620 . 1 1 60 60 TYR CE2 C 13 118.244 0.200 . 3 . . . . 149 TYR CE2 . 18426 1 621 . 1 1 60 60 TYR N N 15 121.130 0.200 . 1 . . . . 149 TYR N . 18426 1 622 . 1 1 61 61 TYR H H 1 8.951 0.020 . 1 . . . . 150 TYR H . 18426 1 623 . 1 1 61 61 TYR HA H 1 4.106 0.020 . 1 . . . . 150 TYR HA . 18426 1 624 . 1 1 61 61 TYR HB2 H 1 3.541 0.020 . 1 . . . . 150 TYR HB2 . 18426 1 625 . 1 1 61 61 TYR HB3 H 1 3.241 0.020 . 1 . . . . 150 TYR HB3 . 18426 1 626 . 1 1 61 61 TYR HD1 H 1 7.534 0.020 . 3 . . . . 150 TYR HD1 . 18426 1 627 . 1 1 61 61 TYR HD2 H 1 7.534 0.020 . 3 . . . . 150 TYR HD2 . 18426 1 628 . 1 1 61 61 TYR HE1 H 1 7.007 0.020 . 3 . . . . 150 TYR HE1 . 18426 1 629 . 1 1 61 61 TYR HE2 H 1 7.007 0.020 . 3 . . . . 150 TYR HE2 . 18426 1 630 . 1 1 61 61 TYR CA C 13 62.915 0.200 . 1 . . . . 150 TYR CA . 18426 1 631 . 1 1 61 61 TYR CB C 13 38.246 0.200 . 1 . . . . 150 TYR CB . 18426 1 632 . 1 1 61 61 TYR CD1 C 13 133.536 0.200 . 3 . . . . 150 TYR CD1 . 18426 1 633 . 1 1 61 61 TYR CD2 C 13 133.536 0.200 . 3 . . . . 150 TYR CD2 . 18426 1 634 . 1 1 61 61 TYR CE1 C 13 118.232 0.200 . 3 . . . . 150 TYR CE1 . 18426 1 635 . 1 1 61 61 TYR CE2 C 13 118.232 0.200 . 3 . . . . 150 TYR CE2 . 18426 1 636 . 1 1 61 61 TYR N N 15 120.420 0.200 . 1 . . . . 150 TYR N . 18426 1 637 . 1 1 62 62 ARG H H 1 7.942 0.020 . 1 . . . . 151 ARG H . 18426 1 638 . 1 1 62 62 ARG HA H 1 3.923 0.020 . 1 . . . . 151 ARG HA . 18426 1 639 . 1 1 62 62 ARG HB2 H 1 2.075 0.020 . 1 . . . . 151 ARG HB2 . 18426 1 640 . 1 1 62 62 ARG HB3 H 1 1.955 0.020 . 1 . . . . 151 ARG HB3 . 18426 1 641 . 1 1 62 62 ARG HG2 H 1 1.733 0.020 . 1 . . . . 151 ARG HG2 . 18426 1 642 . 1 1 62 62 ARG HG3 H 1 2.024 0.020 . 1 . . . . 151 ARG HG3 . 18426 1 643 . 1 1 62 62 ARG HD2 H 1 3.359 0.020 . 1 . . . . 151 ARG HD2 . 18426 1 644 . 1 1 62 62 ARG HD3 H 1 3.269 0.020 . 1 . . . . 151 ARG HD3 . 18426 1 645 . 1 1 62 62 ARG CA C 13 59.871 0.200 . 1 . . . . 151 ARG CA . 18426 1 646 . 1 1 62 62 ARG CB C 13 30.009 0.200 . 1 . . . . 151 ARG CB . 18426 1 647 . 1 1 62 62 ARG CG C 13 28.224 0.200 . 1 . . . . 151 ARG CG . 18426 1 648 . 1 1 62 62 ARG CD C 13 43.326 0.200 . 1 . . . . 151 ARG CD . 18426 1 649 . 1 1 62 62 ARG N N 15 117.959 0.200 . 1 . . . . 151 ARG N . 18426 1 650 . 1 1 63 63 GLU H H 1 8.068 0.020 . 1 . . . . 152 GLU H . 18426 1 651 . 1 1 63 63 GLU HA H 1 4.043 0.020 . 1 . . . . 152 GLU HA . 18426 1 652 . 1 1 63 63 GLU HB2 H 1 1.883 0.020 . 1 . . . . 152 GLU HB2 . 18426 1 653 . 1 1 63 63 GLU HB3 H 1 1.855 0.020 . 1 . . . . 152 GLU HB3 . 18426 1 654 . 1 1 63 63 GLU HG2 H 1 2.185 0.020 . 1 . . . . 152 GLU HG2 . 18426 1 655 . 1 1 63 63 GLU HG3 H 1 2.410 0.020 . 1 . . . . 152 GLU HG3 . 18426 1 656 . 1 1 63 63 GLU CA C 13 58.001 0.200 . 1 . . . . 152 GLU CA . 18426 1 657 . 1 1 63 63 GLU CB C 13 29.934 0.200 . 1 . . . . 152 GLU CB . 18426 1 658 . 1 1 63 63 GLU CG C 13 36.567 0.200 . 1 . . . . 152 GLU CG . 18426 1 659 . 1 1 63 63 GLU N N 15 116.439 0.200 . 1 . . . . 152 GLU N . 18426 1 660 . 1 1 64 64 ASN H H 1 7.540 0.020 . 1 . . . . 153 ASN H . 18426 1 661 . 1 1 64 64 ASN HA H 1 4.395 0.020 . 1 . . . . 153 ASN HA . 18426 1 662 . 1 1 64 64 ASN HB2 H 1 2.138 0.020 . 1 . . . . 153 ASN HB2 . 18426 1 663 . 1 1 64 64 ASN HB3 H 1 2.156 0.020 . 1 . . . . 153 ASN HB3 . 18426 1 664 . 1 1 64 64 ASN HD21 H 1 6.806 0.020 . 1 . . . . 153 ASN HD21 . 18426 1 665 . 1 1 64 64 ASN HD22 H 1 6.547 0.020 . 1 . . . . 153 ASN HD22 . 18426 1 666 . 1 1 64 64 ASN CA C 13 54.801 0.200 . 1 . . . . 153 ASN CA . 18426 1 667 . 1 1 64 64 ASN CB C 13 41.215 0.200 . 1 . . . . 153 ASN CB . 18426 1 668 . 1 1 64 64 ASN N N 15 114.701 0.200 . 1 . . . . 153 ASN N . 18426 1 669 . 1 1 64 64 ASN ND2 N 15 117.170 0.200 . 1 . . . . 153 ASN ND2 . 18426 1 670 . 1 1 65 65 MET H H 1 8.014 0.020 . 1 . . . . 154 MET H . 18426 1 671 . 1 1 65 65 MET HA H 1 3.408 0.020 . 1 . . . . 154 MET HA . 18426 1 672 . 1 1 65 65 MET HB2 H 1 1.618 0.020 . 1 . . . . 154 MET HB2 . 18426 1 673 . 1 1 65 65 MET HB3 H 1 1.325 0.020 . 1 . . . . 154 MET HB3 . 18426 1 674 . 1 1 65 65 MET HG2 H 1 2.536 0.020 . 1 . . . . 154 MET HG2 . 18426 1 675 . 1 1 65 65 MET HG3 H 1 2.143 0.020 . 1 . . . . 154 MET HG3 . 18426 1 676 . 1 1 65 65 MET HE1 H 1 2.014 0.020 . 1 . . . . 154 MET HE . 18426 1 677 . 1 1 65 65 MET HE2 H 1 2.014 0.020 . 1 . . . . 154 MET HE . 18426 1 678 . 1 1 65 65 MET HE3 H 1 2.014 0.020 . 1 . . . . 154 MET HE . 18426 1 679 . 1 1 65 65 MET CA C 13 59.193 0.200 . 1 . . . . 154 MET CA . 18426 1 680 . 1 1 65 65 MET CB C 13 30.250 0.200 . 1 . . . . 154 MET CB . 18426 1 681 . 1 1 65 65 MET CG C 13 30.499 0.200 . 1 . . . . 154 MET CG . 18426 1 682 . 1 1 65 65 MET CE C 13 17.620 0.200 . 1 . . . . 154 MET CE . 18426 1 683 . 1 1 65 65 MET N N 15 119.138 0.200 . 1 . . . . 154 MET N . 18426 1 684 . 1 1 66 66 HIS H H 1 8.001 0.020 . 1 . . . . 155 HIS H . 18426 1 685 . 1 1 66 66 HIS HA H 1 4.210 0.020 . 1 . . . . 155 HIS HA . 18426 1 686 . 1 1 66 66 HIS HB2 H 1 3.226 0.020 . 1 . . . . 155 HIS HB2 . 18426 1 687 . 1 1 66 66 HIS HB3 H 1 2.912 0.020 . 1 . . . . 155 HIS HB3 . 18426 1 688 . 1 1 66 66 HIS HD2 H 1 7.374 0.020 . 1 . . . . 155 HIS HD2 . 18426 1 689 . 1 1 66 66 HIS CA C 13 57.735 0.200 . 1 . . . . 155 HIS CA . 18426 1 690 . 1 1 66 66 HIS CB C 13 28.808 0.200 . 1 . . . . 155 HIS CB . 18426 1 691 . 1 1 66 66 HIS CD2 C 13 120.205 0.200 . 1 . . . . 155 HIS CD2 . 18426 1 692 . 1 1 66 66 HIS N N 15 115.913 0.200 . 1 . . . . 155 HIS N . 18426 1 693 . 1 1 67 67 ARG H H 1 7.512 0.020 . 1 . . . . 156 ARG H . 18426 1 694 . 1 1 67 67 ARG HA H 1 4.112 0.020 . 1 . . . . 156 ARG HA . 18426 1 695 . 1 1 67 67 ARG HB2 H 1 1.350 0.020 . 1 . . . . 156 ARG HB2 . 18426 1 696 . 1 1 67 67 ARG HB3 H 1 2.127 0.020 . 1 . . . . 156 ARG HB3 . 18426 1 697 . 1 1 67 67 ARG HG2 H 1 1.373 0.020 . 1 . . . . 156 ARG HG2 . 18426 1 698 . 1 1 67 67 ARG HG3 H 1 0.225 0.020 . 1 . . . . 156 ARG HG3 . 18426 1 699 . 1 1 67 67 ARG HD2 H 1 3.236 0.020 . 1 . . . . 156 ARG HD2 . 18426 1 700 . 1 1 67 67 ARG HD3 H 1 3.076 0.020 . 1 . . . . 156 ARG HD3 . 18426 1 701 . 1 1 67 67 ARG CA C 13 56.193 0.200 . 1 . . . . 156 ARG CA . 18426 1 702 . 1 1 67 67 ARG CB C 13 30.460 0.200 . 1 . . . . 156 ARG CB . 18426 1 703 . 1 1 67 67 ARG CG C 13 27.159 0.200 . 1 . . . . 156 ARG CG . 18426 1 704 . 1 1 67 67 ARG CD C 13 43.751 0.200 . 1 . . . . 156 ARG CD . 18426 1 705 . 1 1 67 67 ARG N N 15 118.864 0.200 . 1 . . . . 156 ARG N . 18426 1 706 . 1 1 68 68 TYR H H 1 7.443 0.020 . 1 . . . . 157 TYR H . 18426 1 707 . 1 1 68 68 TYR HA H 1 4.981 0.020 . 1 . . . . 157 TYR HA . 18426 1 708 . 1 1 68 68 TYR HB2 H 1 3.105 0.020 . 1 . . . . 157 TYR HB2 . 18426 1 709 . 1 1 68 68 TYR HB3 H 1 3.077 0.020 . 1 . . . . 157 TYR HB3 . 18426 1 710 . 1 1 68 68 TYR HD1 H 1 6.863 0.020 . 3 . . . . 157 TYR HD1 . 18426 1 711 . 1 1 68 68 TYR HD2 H 1 6.863 0.020 . 3 . . . . 157 TYR HD2 . 18426 1 712 . 1 1 68 68 TYR HE1 H 1 6.557 0.020 . 3 . . . . 157 TYR HE1 . 18426 1 713 . 1 1 68 68 TYR HE2 H 1 6.557 0.020 . 3 . . . . 157 TYR HE2 . 18426 1 714 . 1 1 68 68 TYR CA C 13 52.585 0.200 . 1 . . . . 157 TYR CA . 18426 1 715 . 1 1 68 68 TYR CB C 13 34.895 0.200 . 1 . . . . 157 TYR CB . 18426 1 716 . 1 1 68 68 TYR CD1 C 13 131.205 0.200 . 3 . . . . 157 TYR CD1 . 18426 1 717 . 1 1 68 68 TYR CD2 C 13 131.204 0.200 . 3 . . . . 157 TYR CD2 . 18426 1 718 . 1 1 68 68 TYR CE1 C 13 117.209 0.200 . 3 . . . . 157 TYR CE1 . 18426 1 719 . 1 1 68 68 TYR CE2 C 13 117.209 0.200 . 3 . . . . 157 TYR CE2 . 18426 1 720 . 1 1 68 68 TYR N N 15 121.291 0.200 . 1 . . . . 157 TYR N . 18426 1 721 . 1 1 69 69 PRO HA H 1 4.307 0.020 . 1 . . . . 158 PRO HA . 18426 1 722 . 1 1 69 69 PRO HB2 H 1 1.604 0.020 . 1 . . . . 158 PRO HB2 . 18426 1 723 . 1 1 69 69 PRO HB3 H 1 2.429 0.020 . 1 . . . . 158 PRO HB3 . 18426 1 724 . 1 1 69 69 PRO HG2 H 1 1.261 0.020 . 1 . . . . 158 PRO HG2 . 18426 1 725 . 1 1 69 69 PRO HG3 H 1 1.501 0.020 . 1 . . . . 158 PRO HG3 . 18426 1 726 . 1 1 69 69 PRO HD2 H 1 3.104 0.020 . 1 . . . . 158 PRO HD2 . 18426 1 727 . 1 1 69 69 PRO HD3 H 1 3.000 0.020 . 1 . . . . 158 PRO HD3 . 18426 1 728 . 1 1 69 69 PRO CA C 13 63.660 0.200 . 1 . . . . 158 PRO CA . 18426 1 729 . 1 1 69 69 PRO CB C 13 32.021 0.200 . 1 . . . . 158 PRO CB . 18426 1 730 . 1 1 69 69 PRO CG C 13 27.220 0.200 . 1 . . . . 158 PRO CG . 18426 1 731 . 1 1 69 69 PRO CD C 13 49.829 0.200 . 1 . . . . 158 PRO CD . 18426 1 732 . 1 1 70 70 ASN H H 1 8.655 0.020 . 1 . . . . 159 ASN H . 18426 1 733 . 1 1 70 70 ASN HA H 1 4.670 0.020 . 1 . . . . 159 ASN HA . 18426 1 734 . 1 1 70 70 ASN HB2 H 1 3.571 0.020 . 1 . . . . 159 ASN HB2 . 18426 1 735 . 1 1 70 70 ASN HB3 H 1 2.443 0.020 . 1 . . . . 159 ASN HB3 . 18426 1 736 . 1 1 70 70 ASN HD21 H 1 7.468 0.020 . 1 . . . . 159 ASN HD21 . 18426 1 737 . 1 1 70 70 ASN HD22 H 1 6.774 0.020 . 1 . . . . 159 ASN HD22 . 18426 1 738 . 1 1 70 70 ASN CA C 13 52.020 0.200 . 1 . . . . 159 ASN CA . 18426 1 739 . 1 1 70 70 ASN CB C 13 38.505 0.200 . 1 . . . . 159 ASN CB . 18426 1 740 . 1 1 70 70 ASN N N 15 116.622 0.200 . 1 . . . . 159 ASN N . 18426 1 741 . 1 1 70 70 ASN ND2 N 15 109.320 0.200 . 1 . . . . 159 ASN ND2 . 18426 1 742 . 1 1 71 71 GLN H H 1 7.314 0.020 . 1 . . . . 160 GLN H . 18426 1 743 . 1 1 71 71 GLN HA H 1 4.511 0.020 . 1 . . . . 160 GLN HA . 18426 1 744 . 1 1 71 71 GLN HB2 H 1 1.944 0.020 . 1 . . . . 160 GLN HB2 . 18426 1 745 . 1 1 71 71 GLN HB3 H 1 1.729 0.020 . 1 . . . . 160 GLN HB3 . 18426 1 746 . 1 1 71 71 GLN HG2 H 1 1.580 0.020 . 1 . . . . 160 GLN HG2 . 18426 1 747 . 1 1 71 71 GLN HG3 H 1 2.015 0.020 . 1 . . . . 160 GLN HG3 . 18426 1 748 . 1 1 71 71 GLN HE21 H 1 6.953 0.020 . 1 . . . . 160 GLN HE21 . 18426 1 749 . 1 1 71 71 GLN HE22 H 1 7.886 0.020 . 1 . . . . 160 GLN HE22 . 18426 1 750 . 1 1 71 71 GLN CA C 13 54.171 0.200 . 1 . . . . 160 GLN CA . 18426 1 751 . 1 1 71 71 GLN CB C 13 32.975 0.200 . 1 . . . . 160 GLN CB . 18426 1 752 . 1 1 71 71 GLN CG C 13 33.849 0.200 . 1 . . . . 160 GLN CG . 18426 1 753 . 1 1 71 71 GLN N N 15 114.275 0.200 . 1 . . . . 160 GLN N . 18426 1 754 . 1 1 71 71 GLN NE2 N 15 112.443 0.200 . 1 . . . . 160 GLN NE2 . 18426 1 755 . 1 1 72 72 VAL H H 1 8.493 0.020 . 1 . . . . 161 VAL H . 18426 1 756 . 1 1 72 72 VAL HA H 1 4.916 0.020 . 1 . . . . 161 VAL HA . 18426 1 757 . 1 1 72 72 VAL HB H 1 2.606 0.020 . 1 . . . . 161 VAL HB . 18426 1 758 . 1 1 72 72 VAL HG11 H 1 0.923 0.020 . 1 . . . . 161 VAL HG1 . 18426 1 759 . 1 1 72 72 VAL HG12 H 1 0.923 0.020 . 1 . . . . 161 VAL HG1 . 18426 1 760 . 1 1 72 72 VAL HG13 H 1 0.923 0.020 . 1 . . . . 161 VAL HG1 . 18426 1 761 . 1 1 72 72 VAL HG21 H 1 0.748 0.020 . 1 . . . . 161 VAL HG2 . 18426 1 762 . 1 1 72 72 VAL HG22 H 1 0.748 0.020 . 1 . . . . 161 VAL HG2 . 18426 1 763 . 1 1 72 72 VAL HG23 H 1 0.748 0.020 . 1 . . . . 161 VAL HG2 . 18426 1 764 . 1 1 72 72 VAL CA C 13 58.611 0.200 . 1 . . . . 161 VAL CA . 18426 1 765 . 1 1 72 72 VAL CB C 13 33.801 0.200 . 1 . . . . 161 VAL CB . 18426 1 766 . 1 1 72 72 VAL CG1 C 13 23.564 0.200 . 1 . . . . 161 VAL CG1 . 18426 1 767 . 1 1 72 72 VAL CG2 C 13 18.497 0.200 . 1 . . . . 161 VAL CG2 . 18426 1 768 . 1 1 72 72 VAL N N 15 112.700 0.200 . 1 . . . . 161 VAL N . 18426 1 769 . 1 1 73 73 TYR H H 1 8.485 0.020 . 1 . . . . 162 TYR H . 18426 1 770 . 1 1 73 73 TYR HA H 1 5.498 0.020 . 1 . . . . 162 TYR HA . 18426 1 771 . 1 1 73 73 TYR HB2 H 1 2.574 0.020 . 1 . . . . 162 TYR HB2 . 18426 1 772 . 1 1 73 73 TYR HB3 H 1 2.552 0.020 . 1 . . . . 162 TYR HB3 . 18426 1 773 . 1 1 73 73 TYR HD1 H 1 6.893 0.020 . 3 . . . . 162 TYR HD1 . 18426 1 774 . 1 1 73 73 TYR HD2 H 1 6.893 0.020 . 3 . . . . 162 TYR HD2 . 18426 1 775 . 1 1 73 73 TYR HE1 H 1 6.756 0.020 . 3 . . . . 162 TYR HE1 . 18426 1 776 . 1 1 73 73 TYR HE2 H 1 6.756 0.020 . 3 . . . . 162 TYR HE2 . 18426 1 777 . 1 1 73 73 TYR CA C 13 57.069 0.200 . 1 . . . . 162 TYR CA . 18426 1 778 . 1 1 73 73 TYR CB C 13 42.204 0.200 . 1 . . . . 162 TYR CB . 18426 1 779 . 1 1 73 73 TYR CD1 C 13 133.006 0.200 . 3 . . . . 162 TYR CD1 . 18426 1 780 . 1 1 73 73 TYR CD2 C 13 133.006 0.200 . 3 . . . . 162 TYR CD2 . 18426 1 781 . 1 1 73 73 TYR CE1 C 13 118.259 0.200 . 3 . . . . 162 TYR CE1 . 18426 1 782 . 1 1 73 73 TYR CE2 C 13 118.248 0.200 . 3 . . . . 162 TYR CE2 . 18426 1 783 . 1 1 73 73 TYR N N 15 121.455 0.200 . 1 . . . . 162 TYR N . 18426 1 784 . 1 1 74 74 TYR H H 1 8.603 0.020 . 1 . . . . 163 TYR H . 18426 1 785 . 1 1 74 74 TYR HA H 1 4.746 0.020 . 1 . . . . 163 TYR HA . 18426 1 786 . 1 1 74 74 TYR HB2 H 1 2.736 0.020 . 1 . . . . 163 TYR HB2 . 18426 1 787 . 1 1 74 74 TYR HB3 H 1 2.893 0.020 . 1 . . . . 163 TYR HB3 . 18426 1 788 . 1 1 74 74 TYR HD1 H 1 6.971 0.020 . 3 . . . . 163 TYR HD1 . 18426 1 789 . 1 1 74 74 TYR HD2 H 1 6.971 0.020 . 3 . . . . 163 TYR HD2 . 18426 1 790 . 1 1 74 74 TYR HE1 H 1 6.455 0.020 . 3 . . . . 163 TYR HE1 . 18426 1 791 . 1 1 74 74 TYR HE2 H 1 6.455 0.020 . 3 . . . . 163 TYR HE2 . 18426 1 792 . 1 1 74 74 TYR CA C 13 55.413 0.200 . 1 . . . . 163 TYR CA . 18426 1 793 . 1 1 74 74 TYR CB C 13 40.476 0.200 . 1 . . . . 163 TYR CB . 18426 1 794 . 1 1 74 74 TYR CD1 C 13 133.949 0.200 . 3 . . . . 163 TYR CD1 . 18426 1 795 . 1 1 74 74 TYR CD2 C 13 133.949 0.200 . 3 . . . . 163 TYR CD2 . 18426 1 796 . 1 1 74 74 TYR CE1 C 13 117.709 0.200 . 3 . . . . 163 TYR CE1 . 18426 1 797 . 1 1 74 74 TYR CE2 C 13 117.709 0.200 . 3 . . . . 163 TYR CE2 . 18426 1 798 . 1 1 74 74 TYR N N 15 111.150 0.200 . 1 . . . . 163 TYR N . 18426 1 799 . 1 1 76 76 PRO HA H 1 4.478 0.020 . 1 . . . . 165 PRO HA . 18426 1 800 . 1 1 76 76 PRO HB2 H 1 2.450 0.020 . 1 . . . . 165 PRO HB2 . 18426 1 801 . 1 1 76 76 PRO HB3 H 1 2.441 0.020 . 1 . . . . 165 PRO HB3 . 18426 1 802 . 1 1 76 76 PRO HG2 H 1 2.050 0.020 . 1 . . . . 165 PRO HG2 . 18426 1 803 . 1 1 76 76 PRO HG3 H 1 1.886 0.020 . 1 . . . . 165 PRO HG3 . 18426 1 804 . 1 1 76 76 PRO HD2 H 1 3.577 0.020 . 1 . . . . 165 PRO HD2 . 18426 1 805 . 1 1 76 76 PRO HD3 H 1 3.477 0.020 . 1 . . . . 165 PRO HD3 . 18426 1 806 . 1 1 76 76 PRO CA C 13 63.054 0.200 . 1 . . . . 165 PRO CA . 18426 1 807 . 1 1 76 76 PRO CB C 13 32.444 0.200 . 1 . . . . 165 PRO CB . 18426 1 808 . 1 1 76 76 PRO CG C 13 28.097 0.200 . 1 . . . . 165 PRO CG . 18426 1 809 . 1 1 76 76 PRO CD C 13 50.132 0.200 . 1 . . . . 165 PRO CD . 18426 1 810 . 1 1 77 77 MET H H 1 9.026 0.020 . 1 . . . . 166 MET H . 18426 1 811 . 1 1 77 77 MET HA H 1 4.422 0.020 . 1 . . . . 166 MET HA . 18426 1 812 . 1 1 77 77 MET HB2 H 1 2.280 0.020 . 1 . . . . 166 MET HB2 . 18426 1 813 . 1 1 77 77 MET HB3 H 1 2.265 0.020 . 1 . . . . 166 MET HB3 . 18426 1 814 . 1 1 77 77 MET HG2 H 1 1.754 0.020 . 1 . . . . 166 MET HG2 . 18426 1 815 . 1 1 77 77 MET HG3 H 1 1.847 0.020 . 1 . . . . 166 MET HG3 . 18426 1 816 . 1 1 77 77 MET HE1 H 1 1.545 0.020 . 1 . . . . 166 MET HE . 18426 1 817 . 1 1 77 77 MET HE2 H 1 1.545 0.020 . 1 . . . . 166 MET HE . 18426 1 818 . 1 1 77 77 MET HE3 H 1 1.545 0.020 . 1 . . . . 166 MET HE . 18426 1 819 . 1 1 77 77 MET CA C 13 57.103 0.200 . 1 . . . . 166 MET CA . 18426 1 820 . 1 1 77 77 MET CB C 13 32.311 0.200 . 1 . . . . 166 MET CB . 18426 1 821 . 1 1 77 77 MET CG C 13 32.971 0.200 . 1 . . . . 166 MET CG . 18426 1 822 . 1 1 77 77 MET CE C 13 17.076 0.200 . 1 . . . . 166 MET CE . 18426 1 823 . 1 1 77 77 MET N N 15 121.328 0.200 . 1 . . . . 166 MET N . 18426 1 824 . 1 1 78 78 ASP H H 1 8.189 0.020 . 1 . . . . 167 ASP H . 18426 1 825 . 1 1 78 78 ASP HA H 1 4.502 0.020 . 1 . . . . 167 ASP HA . 18426 1 826 . 1 1 78 78 ASP HB2 H 1 2.719 0.020 . 1 . . . . 167 ASP HB2 . 18426 1 827 . 1 1 78 78 ASP HB3 H 1 2.921 0.020 . 1 . . . . 167 ASP HB3 . 18426 1 828 . 1 1 78 78 ASP CA C 13 54.308 0.200 . 1 . . . . 167 ASP CA . 18426 1 829 . 1 1 78 78 ASP CB C 13 40.601 0.200 . 1 . . . . 167 ASP CB . 18426 1 830 . 1 1 78 78 ASP N N 15 119.961 0.200 . 1 . . . . 167 ASP N . 18426 1 831 . 1 1 81 81 SER H H 1 8.575 0.020 . 1 . . . . 170 SER H . 18426 1 832 . 1 1 81 81 SER HA H 1 4.575 0.020 . 1 . . . . 170 SER HA . 18426 1 833 . 1 1 81 81 SER HB2 H 1 3.911 0.020 . 2 . . . . 170 SER HB2 . 18426 1 834 . 1 1 81 81 SER HB3 H 1 3.911 0.020 . 2 . . . . 170 SER HB3 . 18426 1 835 . 1 1 81 81 SER CA C 13 58.739 0.200 . 1 . . . . 170 SER CA . 18426 1 836 . 1 1 81 81 SER CB C 13 64.442 0.200 . 1 . . . . 170 SER CB . 18426 1 837 . 1 1 81 81 SER N N 15 116.664 0.200 . 1 . . . . 170 SER N . 18426 1 838 . 1 1 82 82 ASN HA H 1 4.758 0.020 . 1 . . . . 171 ASN HA . 18426 1 839 . 1 1 82 82 ASN HB2 H 1 3.034 0.020 . 1 . . . . 171 ASN HB2 . 18426 1 840 . 1 1 82 82 ASN HB3 H 1 3.044 0.020 . 1 . . . . 171 ASN HB3 . 18426 1 841 . 1 1 82 82 ASN HD21 H 1 7.567 0.020 . 1 . . . . 171 ASN HD21 . 18426 1 842 . 1 1 82 82 ASN HD22 H 1 6.741 0.020 . 1 . . . . 171 ASN HD22 . 18426 1 843 . 1 1 82 82 ASN CA C 13 52.500 0.200 . 1 . . . . 171 ASN CA . 18426 1 844 . 1 1 82 82 ASN CB C 13 39.730 0.200 . 1 . . . . 171 ASN CB . 18426 1 845 . 1 1 82 82 ASN ND2 N 15 113.314 0.200 . 1 . . . . 171 ASN ND2 . 18426 1 846 . 1 1 83 83 GLN H H 1 8.664 0.020 . 1 . . . . 172 GLN H . 18426 1 847 . 1 1 83 83 GLN HA H 1 2.817 0.020 . 1 . . . . 172 GLN HA . 18426 1 848 . 1 1 83 83 GLN HB2 H 1 1.646 0.020 . 1 . . . . 172 GLN HB2 . 18426 1 849 . 1 1 83 83 GLN HB3 H 1 1.634 0.020 . 1 . . . . 172 GLN HB3 . 18426 1 850 . 1 1 83 83 GLN HG2 H 1 1.893 0.020 . 1 . . . . 172 GLN HG2 . 18426 1 851 . 1 1 83 83 GLN HG3 H 1 1.153 0.020 . 1 . . . . 172 GLN HG3 . 18426 1 852 . 1 1 83 83 GLN HE21 H 1 7.463 0.020 . 1 . . . . 172 GLN HE21 . 18426 1 853 . 1 1 83 83 GLN HE22 H 1 6.833 0.020 . 1 . . . . 172 GLN HE22 . 18426 1 854 . 1 1 83 83 GLN CA C 13 59.625 0.200 . 1 . . . . 172 GLN CA . 18426 1 855 . 1 1 83 83 GLN CB C 13 28.980 0.200 . 1 . . . . 172 GLN CB . 18426 1 856 . 1 1 83 83 GLN CG C 13 33.661 0.200 . 1 . . . . 172 GLN CG . 18426 1 857 . 1 1 83 83 GLN N N 15 120.566 0.200 . 1 . . . . 172 GLN N . 18426 1 858 . 1 1 83 83 GLN NE2 N 15 111.775 0.200 . 1 . . . . 172 GLN NE2 . 18426 1 859 . 1 1 84 84 ASN H H 1 8.358 0.020 . 1 . . . . 173 ASN H . 18426 1 860 . 1 1 84 84 ASN HA H 1 4.224 0.020 . 1 . . . . 173 ASN HA . 18426 1 861 . 1 1 84 84 ASN HB2 H 1 2.724 0.020 . 1 . . . . 173 ASN HB2 . 18426 1 862 . 1 1 84 84 ASN HB3 H 1 2.656 0.020 . 1 . . . . 173 ASN HB3 . 18426 1 863 . 1 1 84 84 ASN HD21 H 1 7.577 0.020 . 1 . . . . 173 ASN HD21 . 18426 1 864 . 1 1 84 84 ASN HD22 H 1 6.942 0.020 . 1 . . . . 173 ASN HD22 . 18426 1 865 . 1 1 84 84 ASN CA C 13 56.513 0.200 . 1 . . . . 173 ASN CA . 18426 1 866 . 1 1 84 84 ASN CB C 13 37.959 0.200 . 1 . . . . 173 ASN CB . 18426 1 867 . 1 1 84 84 ASN N N 15 116.658 0.200 . 1 . . . . 173 ASN N . 18426 1 868 . 1 1 84 84 ASN ND2 N 15 112.734 0.200 . 1 . . . . 173 ASN ND2 . 18426 1 869 . 1 1 85 85 ASN H H 1 8.602 0.020 . 1 . . . . 174 ASN H . 18426 1 870 . 1 1 85 85 ASN HA H 1 4.525 0.020 . 1 . . . . 174 ASN HA . 18426 1 871 . 1 1 85 85 ASN HB2 H 1 2.970 0.020 . 1 . . . . 174 ASN HB2 . 18426 1 872 . 1 1 85 85 ASN HB3 H 1 2.891 0.020 . 1 . . . . 174 ASN HB3 . 18426 1 873 . 1 1 85 85 ASN HD21 H 1 7.698 0.020 . 1 . . . . 174 ASN HD21 . 18426 1 874 . 1 1 85 85 ASN HD22 H 1 7.089 0.020 . 1 . . . . 174 ASN HD22 . 18426 1 875 . 1 1 85 85 ASN CA C 13 55.891 0.200 . 1 . . . . 174 ASN CA . 18426 1 876 . 1 1 85 85 ASN CB C 13 37.835 0.200 . 1 . . . . 174 ASN CB . 18426 1 877 . 1 1 85 85 ASN N N 15 118.391 0.200 . 1 . . . . 174 ASN N . 18426 1 878 . 1 1 85 85 ASN ND2 N 15 112.273 0.200 . 1 . . . . 174 ASN ND2 . 18426 1 879 . 1 1 86 86 PHE HA H 1 4.073 0.020 . 1 . . . . 175 PHE HA . 18426 1 880 . 1 1 86 86 PHE HB2 H 1 3.052 0.020 . 1 . . . . 175 PHE HB2 . 18426 1 881 . 1 1 86 86 PHE HB3 H 1 2.867 0.020 . 1 . . . . 175 PHE HB3 . 18426 1 882 . 1 1 86 86 PHE HD1 H 1 7.657 0.020 . 3 . . . . 175 PHE HD1 . 18426 1 883 . 1 1 86 86 PHE HD2 H 1 7.657 0.020 . 3 . . . . 175 PHE HD2 . 18426 1 884 . 1 1 86 86 PHE HE1 H 1 6.731 0.020 . 3 . . . . 175 PHE HE1 . 18426 1 885 . 1 1 86 86 PHE HE2 H 1 6.731 0.020 . 3 . . . . 175 PHE HE2 . 18426 1 886 . 1 1 86 86 PHE HZ H 1 7.317 0.020 . 1 . . . . 175 PHE HZ . 18426 1 887 . 1 1 86 86 PHE CA C 13 61.089 0.200 . 1 . . . . 175 PHE CA . 18426 1 888 . 1 1 86 86 PHE CB C 13 39.414 0.200 . 1 . . . . 175 PHE CB . 18426 1 889 . 1 1 86 86 PHE CD1 C 13 131.719 0.200 . 3 . . . . 175 PHE CD1 . 18426 1 890 . 1 1 86 86 PHE CD2 C 13 131.719 0.200 . 3 . . . . 175 PHE CD2 . 18426 1 891 . 1 1 86 86 PHE CE1 C 13 129.169 0.200 . 3 . . . . 175 PHE CE1 . 18426 1 892 . 1 1 86 86 PHE CE2 C 13 129.169 0.200 . 3 . . . . 175 PHE CE2 . 18426 1 893 . 1 1 86 86 PHE CZ C 13 133.188 0.200 . 1 . . . . 175 PHE CZ . 18426 1 894 . 1 1 87 87 VAL H H 1 8.981 0.020 . 1 . . . . 176 VAL H . 18426 1 895 . 1 1 87 87 VAL HA H 1 3.541 0.020 . 1 . . . . 176 VAL HA . 18426 1 896 . 1 1 87 87 VAL HB H 1 2.215 0.020 . 1 . . . . 176 VAL HB . 18426 1 897 . 1 1 87 87 VAL HG11 H 1 1.028 0.020 . 1 . . . . 176 VAL HG1 . 18426 1 898 . 1 1 87 87 VAL HG12 H 1 1.028 0.020 . 1 . . . . 176 VAL HG1 . 18426 1 899 . 1 1 87 87 VAL HG13 H 1 1.028 0.020 . 1 . . . . 176 VAL HG1 . 18426 1 900 . 1 1 87 87 VAL HG21 H 1 1.064 0.020 . 1 . . . . 176 VAL HG2 . 18426 1 901 . 1 1 87 87 VAL HG22 H 1 1.064 0.020 . 1 . . . . 176 VAL HG2 . 18426 1 902 . 1 1 87 87 VAL HG23 H 1 1.064 0.020 . 1 . . . . 176 VAL HG2 . 18426 1 903 . 1 1 87 87 VAL CA C 13 67.749 0.200 . 1 . . . . 176 VAL CA . 18426 1 904 . 1 1 87 87 VAL CB C 13 32.101 0.200 . 1 . . . . 176 VAL CB . 18426 1 905 . 1 1 87 87 VAL CG1 C 13 21.953 0.200 . 1 . . . . 176 VAL CG1 . 18426 1 906 . 1 1 87 87 VAL CG2 C 13 24.758 0.200 . 1 . . . . 176 VAL CG2 . 18426 1 907 . 1 1 87 87 VAL N N 15 120.143 0.200 . 1 . . . . 176 VAL N . 18426 1 908 . 1 1 88 88 HIS H H 1 8.334 0.020 . 1 . . . . 177 HIS H . 18426 1 909 . 1 1 88 88 HIS HA H 1 4.324 0.020 . 1 . . . . 177 HIS HA . 18426 1 910 . 1 1 88 88 HIS HB2 H 1 3.377 0.020 . 1 . . . . 177 HIS HB2 . 18426 1 911 . 1 1 88 88 HIS HB3 H 1 3.314 0.020 . 1 . . . . 177 HIS HB3 . 18426 1 912 . 1 1 88 88 HIS HD2 H 1 7.371 0.020 . 1 . . . . 177 HIS HD2 . 18426 1 913 . 1 1 88 88 HIS HE1 H 1 8.590 0.020 . 1 . . . . 177 HIS HE1 . 18426 1 914 . 1 1 88 88 HIS CA C 13 59.602 0.200 . 1 . . . . 177 HIS CA . 18426 1 915 . 1 1 88 88 HIS CB C 13 28.319 0.200 . 1 . . . . 177 HIS CB . 18426 1 916 . 1 1 88 88 HIS CD2 C 13 119.925 0.200 . 1 . . . . 177 HIS CD2 . 18426 1 917 . 1 1 88 88 HIS CE1 C 13 136.352 0.200 . 1 . . . . 177 HIS CE1 . 18426 1 918 . 1 1 88 88 HIS N N 15 117.010 0.200 . 1 . . . . 177 HIS N . 18426 1 919 . 1 1 89 89 ASP H H 1 7.745 0.020 . 1 . . . . 178 ASP H . 18426 1 920 . 1 1 89 89 ASP HA H 1 4.493 0.020 . 1 . . . . 178 ASP HA . 18426 1 921 . 1 1 89 89 ASP HB2 H 1 2.945 0.020 . 1 . . . . 178 ASP HB2 . 18426 1 922 . 1 1 89 89 ASP HB3 H 1 2.901 0.020 . 1 . . . . 178 ASP HB3 . 18426 1 923 . 1 1 89 89 ASP CA C 13 57.435 0.200 . 1 . . . . 178 ASP CA . 18426 1 924 . 1 1 89 89 ASP CB C 13 41.184 0.200 . 1 . . . . 178 ASP CB . 18426 1 925 . 1 1 89 89 ASP N N 15 118.648 0.200 . 1 . . . . 178 ASP N . 18426 1 926 . 1 1 90 90 CYS H H 1 8.028 0.020 . 1 . . . . 179 CYS H . 18426 1 927 . 1 1 90 90 CYS HA H 1 4.737 0.020 . 1 . . . . 179 CYS HA . 18426 1 928 . 1 1 90 90 CYS HB2 H 1 3.372 0.020 . 1 . . . . 179 CYS HB2 . 18426 1 929 . 1 1 90 90 CYS HB3 H 1 3.028 0.020 . 1 . . . . 179 CYS HB3 . 18426 1 930 . 1 1 90 90 CYS CA C 13 58.476 0.200 . 1 . . . . 179 CYS CA . 18426 1 931 . 1 1 90 90 CYS CB C 13 40.645 0.200 . 1 . . . . 179 CYS CB . 18426 1 932 . 1 1 90 90 CYS N N 15 119.083 0.200 . 1 . . . . 179 CYS N . 18426 1 933 . 1 1 91 91 VAL H H 1 9.177 0.020 . 1 . . . . 180 VAL H . 18426 1 934 . 1 1 91 91 VAL HA H 1 3.632 0.020 . 1 . . . . 180 VAL HA . 18426 1 935 . 1 1 91 91 VAL HB H 1 2.147 0.020 . 1 . . . . 180 VAL HB . 18426 1 936 . 1 1 91 91 VAL HG11 H 1 1.068 0.020 . 1 . . . . 180 VAL HG1 . 18426 1 937 . 1 1 91 91 VAL HG12 H 1 1.068 0.020 . 1 . . . . 180 VAL HG1 . 18426 1 938 . 1 1 91 91 VAL HG13 H 1 1.068 0.020 . 1 . . . . 180 VAL HG1 . 18426 1 939 . 1 1 91 91 VAL HG21 H 1 0.946 0.020 . 1 . . . . 180 VAL HG2 . 18426 1 940 . 1 1 91 91 VAL HG22 H 1 0.946 0.020 . 1 . . . . 180 VAL HG2 . 18426 1 941 . 1 1 91 91 VAL HG23 H 1 0.946 0.020 . 1 . . . . 180 VAL HG2 . 18426 1 942 . 1 1 91 91 VAL CA C 13 66.431 0.200 . 1 . . . . 180 VAL CA . 18426 1 943 . 1 1 91 91 VAL CB C 13 32.101 0.200 . 1 . . . . 180 VAL CB . 18426 1 944 . 1 1 91 91 VAL CG1 C 13 23.465 0.200 . 1 . . . . 180 VAL CG1 . 18426 1 945 . 1 1 91 91 VAL CG2 C 13 21.771 0.200 . 1 . . . . 180 VAL CG2 . 18426 1 946 . 1 1 91 91 VAL N N 15 125.021 0.200 . 1 . . . . 180 VAL N . 18426 1 947 . 1 1 92 92 ASN H H 1 7.653 0.020 . 1 . . . . 181 ASN H . 18426 1 948 . 1 1 92 92 ASN HA H 1 4.319 0.020 . 1 . . . . 181 ASN HA . 18426 1 949 . 1 1 92 92 ASN HB2 H 1 2.752 0.020 . 1 . . . . 181 ASN HB2 . 18426 1 950 . 1 1 92 92 ASN HB3 H 1 2.819 0.020 . 1 . . . . 181 ASN HB3 . 18426 1 951 . 1 1 92 92 ASN HD21 H 1 6.772 0.020 . 1 . . . . 181 ASN HD21 . 18426 1 952 . 1 1 92 92 ASN HD22 H 1 7.635 0.020 . 1 . . . . 181 ASN HD22 . 18426 1 953 . 1 1 92 92 ASN CA C 13 56.364 0.200 . 1 . . . . 181 ASN CA . 18426 1 954 . 1 1 92 92 ASN CB C 13 38.831 0.200 . 1 . . . . 181 ASN CB . 18426 1 955 . 1 1 92 92 ASN N N 15 116.193 0.200 . 1 . . . . 181 ASN N . 18426 1 956 . 1 1 92 92 ASN ND2 N 15 112.123 0.200 . 1 . . . . 181 ASN ND2 . 18426 1 957 . 1 1 93 93 ILE H H 1 8.636 0.020 . 1 . . . . 182 ILE H . 18426 1 958 . 1 1 93 93 ILE HA H 1 3.767 0.020 . 1 . . . . 182 ILE HA . 18426 1 959 . 1 1 93 93 ILE HB H 1 1.565 0.020 . 1 . . . . 182 ILE HB . 18426 1 960 . 1 1 93 93 ILE HG12 H 1 0.844 0.020 . 1 . . . . 182 ILE HG12 . 18426 1 961 . 1 1 93 93 ILE HG13 H 1 0.817 0.020 . 1 . . . . 182 ILE HG13 . 18426 1 962 . 1 1 93 93 ILE HG21 H 1 0.271 0.020 . 1 . . . . 182 ILE HG2 . 18426 1 963 . 1 1 93 93 ILE HG22 H 1 0.271 0.020 . 1 . . . . 182 ILE HG2 . 18426 1 964 . 1 1 93 93 ILE HG23 H 1 0.271 0.020 . 1 . . . . 182 ILE HG2 . 18426 1 965 . 1 1 93 93 ILE HD11 H 1 0.383 0.020 . 1 . . . . 182 ILE HD1 . 18426 1 966 . 1 1 93 93 ILE HD12 H 1 0.383 0.020 . 1 . . . . 182 ILE HD1 . 18426 1 967 . 1 1 93 93 ILE HD13 H 1 0.383 0.020 . 1 . . . . 182 ILE HD1 . 18426 1 968 . 1 1 93 93 ILE CA C 13 62.094 0.200 . 1 . . . . 182 ILE CA . 18426 1 969 . 1 1 93 93 ILE CB C 13 36.518 0.200 . 1 . . . . 182 ILE CB . 18426 1 970 . 1 1 93 93 ILE CG1 C 13 27.576 0.200 . 1 . . . . 182 ILE CG1 . 18426 1 971 . 1 1 93 93 ILE CG2 C 13 18.501 0.200 . 1 . . . . 182 ILE CG2 . 18426 1 972 . 1 1 93 93 ILE CD1 C 13 11.325 0.200 . 1 . . . . 182 ILE CD1 . 18426 1 973 . 1 1 93 93 ILE N N 15 118.691 0.200 . 1 . . . . 182 ILE N . 18426 1 974 . 1 1 94 94 THR H H 1 8.149 0.020 . 1 . . . . 183 THR H . 18426 1 975 . 1 1 94 94 THR HA H 1 4.070 0.020 . 1 . . . . 183 THR HA . 18426 1 976 . 1 1 94 94 THR HB H 1 4.464 0.020 . 1 . . . . 183 THR HB . 18426 1 977 . 1 1 94 94 THR HG21 H 1 1.446 0.020 . 1 . . . . 183 THR HG2 . 18426 1 978 . 1 1 94 94 THR HG22 H 1 1.446 0.020 . 1 . . . . 183 THR HG2 . 18426 1 979 . 1 1 94 94 THR HG23 H 1 1.446 0.020 . 1 . . . . 183 THR HG2 . 18426 1 980 . 1 1 94 94 THR CA C 13 68.813 0.200 . 1 . . . . 183 THR CA . 18426 1 981 . 1 1 94 94 THR CB C 13 68.227 0.200 . 1 . . . . 183 THR CB . 18426 1 982 . 1 1 94 94 THR CG2 C 13 22.186 0.200 . 1 . . . . 183 THR CG2 . 18426 1 983 . 1 1 94 94 THR N N 15 118.243 0.200 . 1 . . . . 183 THR N . 18426 1 984 . 1 1 95 95 ILE H H 1 8.469 0.020 . 1 . . . . 184 ILE H . 18426 1 985 . 1 1 95 95 ILE HA H 1 3.654 0.020 . 1 . . . . 184 ILE HA . 18426 1 986 . 1 1 95 95 ILE HB H 1 2.045 0.020 . 1 . . . . 184 ILE HB . 18426 1 987 . 1 1 95 95 ILE HG12 H 1 1.071 0.020 . 1 . . . . 184 ILE HG12 . 18426 1 988 . 1 1 95 95 ILE HG13 H 1 1.885 0.020 . 1 . . . . 184 ILE HG13 . 18426 1 989 . 1 1 95 95 ILE HG21 H 1 0.859 0.020 . 1 . . . . 184 ILE HG2 . 18426 1 990 . 1 1 95 95 ILE HG22 H 1 0.859 0.020 . 1 . . . . 184 ILE HG2 . 18426 1 991 . 1 1 95 95 ILE HG23 H 1 0.859 0.020 . 1 . . . . 184 ILE HG2 . 18426 1 992 . 1 1 95 95 ILE HD11 H 1 0.760 0.020 . 1 . . . . 184 ILE HD1 . 18426 1 993 . 1 1 95 95 ILE HD12 H 1 0.760 0.020 . 1 . . . . 184 ILE HD1 . 18426 1 994 . 1 1 95 95 ILE HD13 H 1 0.760 0.020 . 1 . . . . 184 ILE HD1 . 18426 1 995 . 1 1 95 95 ILE CA C 13 66.358 0.200 . 1 . . . . 184 ILE CA . 18426 1 996 . 1 1 95 95 ILE CB C 13 36.820 0.200 . 1 . . . . 184 ILE CB . 18426 1 997 . 1 1 95 95 ILE CG1 C 13 30.357 0.200 . 1 . . . . 184 ILE CG1 . 18426 1 998 . 1 1 95 95 ILE CG2 C 13 16.685 0.200 . 1 . . . . 184 ILE CG2 . 18426 1 999 . 1 1 95 95 ILE CD1 C 13 13.378 0.200 . 1 . . . . 184 ILE CD1 . 18426 1 1000 . 1 1 95 95 ILE N N 15 120.912 0.200 . 1 . . . . 184 ILE N . 18426 1 1001 . 1 1 96 96 LYS H H 1 8.060 0.020 . 1 . . . . 185 LYS H . 18426 1 1002 . 1 1 96 96 LYS HA H 1 4.054 0.020 . 1 . . . . 185 LYS HA . 18426 1 1003 . 1 1 96 96 LYS HB2 H 1 1.944 0.020 . 1 . . . . 185 LYS HB2 . 18426 1 1004 . 1 1 96 96 LYS HB3 H 1 1.884 0.020 . 1 . . . . 185 LYS HB3 . 18426 1 1005 . 1 1 96 96 LYS HG2 H 1 1.419 0.020 . 1 . . . . 185 LYS HG2 . 18426 1 1006 . 1 1 96 96 LYS HG3 H 1 1.386 0.020 . 1 . . . . 185 LYS HG3 . 18426 1 1007 . 1 1 96 96 LYS HD2 H 1 1.648 0.020 . 2 . . . . 185 LYS HD2 . 18426 1 1008 . 1 1 96 96 LYS HD3 H 1 1.650 0.020 . 2 . . . . 185 LYS HD3 . 18426 1 1009 . 1 1 96 96 LYS HE2 H 1 2.941 0.020 . 2 . . . . 185 LYS HE2 . 18426 1 1010 . 1 1 96 96 LYS HE3 H 1 2.897 0.020 . 2 . . . . 185 LYS HE3 . 18426 1 1011 . 1 1 96 96 LYS CA C 13 59.819 0.200 . 1 . . . . 185 LYS CA . 18426 1 1012 . 1 1 96 96 LYS CB C 13 32.121 0.200 . 1 . . . . 185 LYS CB . 18426 1 1013 . 1 1 96 96 LYS CG C 13 25.037 0.200 . 1 . . . . 185 LYS CG . 18426 1 1014 . 1 1 96 96 LYS CD C 13 28.972 0.200 . 1 . . . . 185 LYS CD . 18426 1 1015 . 1 1 96 96 LYS CE C 13 41.848 0.200 . 1 . . . . 185 LYS CE . 18426 1 1016 . 1 1 96 96 LYS N N 15 123.183 0.200 . 1 . . . . 185 LYS N . 18426 1 1017 . 1 1 97 97 GLN H H 1 8.479 0.020 . 1 . . . . 186 GLN H . 18426 1 1018 . 1 1 97 97 GLN HA H 1 4.063 0.020 . 1 . . . . 186 GLN HA . 18426 1 1019 . 1 1 97 97 GLN HB2 H 1 1.907 0.020 . 1 . . . . 186 GLN HB2 . 18426 1 1020 . 1 1 97 97 GLN HB3 H 1 1.897 0.020 . 1 . . . . 186 GLN HB3 . 18426 1 1021 . 1 1 97 97 GLN HG2 H 1 1.739 0.020 . 1 . . . . 186 GLN HG2 . 18426 1 1022 . 1 1 97 97 GLN HG3 H 1 2.059 0.020 . 1 . . . . 186 GLN HG3 . 18426 1 1023 . 1 1 97 97 GLN HE21 H 1 6.679 0.020 . 1 . . . . 186 GLN HE21 . 18426 1 1024 . 1 1 97 97 GLN HE22 H 1 6.847 0.020 . 1 . . . . 186 GLN HE22 . 18426 1 1025 . 1 1 97 97 GLN CA C 13 58.053 0.200 . 1 . . . . 186 GLN CA . 18426 1 1026 . 1 1 97 97 GLN CB C 13 27.929 0.200 . 1 . . . . 186 GLN CB . 18426 1 1027 . 1 1 97 97 GLN CG C 13 33.646 0.200 . 1 . . . . 186 GLN CG . 18426 1 1028 . 1 1 97 97 GLN N N 15 116.855 0.200 . 1 . . . . 186 GLN N . 18426 1 1029 . 1 1 97 97 GLN NE2 N 15 109.870 0.200 . 1 . . . . 186 GLN NE2 . 18426 1 1030 . 1 1 98 98 HIS H H 1 8.419 0.020 . 1 . . . . 187 HIS H . 18426 1 1031 . 1 1 98 98 HIS HA H 1 4.562 0.020 . 1 . . . . 187 HIS HA . 18426 1 1032 . 1 1 98 98 HIS HB2 H 1 3.358 0.020 . 1 . . . . 187 HIS HB2 . 18426 1 1033 . 1 1 98 98 HIS HB3 H 1 3.119 0.020 . 1 . . . . 187 HIS HB3 . 18426 1 1034 . 1 1 98 98 HIS HD2 H 1 7.377 0.020 . 1 . . . . 187 HIS HD2 . 18426 1 1035 . 1 1 98 98 HIS CA C 13 59.598 0.200 . 1 . . . . 187 HIS CA . 18426 1 1036 . 1 1 98 98 HIS CB C 13 31.817 0.200 . 1 . . . . 187 HIS CB . 18426 1 1037 . 1 1 98 98 HIS CD2 C 13 120.447 0.200 . 1 . . . . 187 HIS CD2 . 18426 1 1038 . 1 1 98 98 HIS N N 15 119.502 0.200 . 1 . . . . 187 HIS N . 18426 1 1039 . 1 1 99 99 THR H H 1 8.426 0.020 . 1 . . . . 188 THR H . 18426 1 1040 . 1 1 99 99 THR HA H 1 4.057 0.020 . 1 . . . . 188 THR HA . 18426 1 1041 . 1 1 99 99 THR HB H 1 4.444 0.020 . 1 . . . . 188 THR HB . 18426 1 1042 . 1 1 99 99 THR HG21 H 1 1.246 0.020 . 1 . . . . 188 THR HG2 . 18426 1 1043 . 1 1 99 99 THR HG22 H 1 1.246 0.020 . 1 . . . . 188 THR HG2 . 18426 1 1044 . 1 1 99 99 THR HG23 H 1 1.246 0.020 . 1 . . . . 188 THR HG2 . 18426 1 1045 . 1 1 99 99 THR CA C 13 66.312 0.200 . 1 . . . . 188 THR CA . 18426 1 1046 . 1 1 99 99 THR CB C 13 68.725 0.200 . 1 . . . . 188 THR CB . 18426 1 1047 . 1 1 99 99 THR CG2 C 13 21.215 0.200 . 1 . . . . 188 THR CG2 . 18426 1 1048 . 1 1 99 99 THR N N 15 114.460 0.200 . 1 . . . . 188 THR N . 18426 1 1049 . 1 1 100 100 VAL H H 1 8.053 0.020 . 1 . . . . 189 VAL H . 18426 1 1050 . 1 1 100 100 VAL HA H 1 3.894 0.020 . 1 . . . . 189 VAL HA . 18426 1 1051 . 1 1 100 100 VAL HB H 1 2.218 0.020 . 1 . . . . 189 VAL HB . 18426 1 1052 . 1 1 100 100 VAL HG11 H 1 0.946 0.020 . 1 . . . . 189 VAL HG1 . 18426 1 1053 . 1 1 100 100 VAL HG12 H 1 0.946 0.020 . 1 . . . . 189 VAL HG1 . 18426 1 1054 . 1 1 100 100 VAL HG13 H 1 0.946 0.020 . 1 . . . . 189 VAL HG1 . 18426 1 1055 . 1 1 100 100 VAL HG21 H 1 1.040 0.020 . 1 . . . . 189 VAL HG2 . 18426 1 1056 . 1 1 100 100 VAL HG22 H 1 1.040 0.020 . 1 . . . . 189 VAL HG2 . 18426 1 1057 . 1 1 100 100 VAL HG23 H 1 1.040 0.020 . 1 . . . . 189 VAL HG2 . 18426 1 1058 . 1 1 100 100 VAL CA C 13 65.949 0.200 . 1 . . . . 189 VAL CA . 18426 1 1059 . 1 1 100 100 VAL CB C 13 31.997 0.200 . 1 . . . . 189 VAL CB . 18426 1 1060 . 1 1 100 100 VAL CG1 C 13 21.011 0.200 . 1 . . . . 189 VAL CG1 . 18426 1 1061 . 1 1 100 100 VAL CG2 C 13 21.999 0.200 . 1 . . . . 189 VAL CG2 . 18426 1 1062 . 1 1 100 100 VAL N N 15 122.866 0.200 . 1 . . . . 189 VAL N . 18426 1 1063 . 1 1 101 101 THR H H 1 8.128 0.020 . 1 . . . . 190 THR H . 18426 1 1064 . 1 1 101 101 THR HA H 1 4.108 0.020 . 1 . . . . 190 THR HA . 18426 1 1065 . 1 1 101 101 THR HB H 1 4.247 0.020 . 1 . . . . 190 THR HB . 18426 1 1066 . 1 1 101 101 THR HG21 H 1 1.281 0.020 . 1 . . . . 190 THR HG2 . 18426 1 1067 . 1 1 101 101 THR HG22 H 1 1.281 0.020 . 1 . . . . 190 THR HG2 . 18426 1 1068 . 1 1 101 101 THR HG23 H 1 1.281 0.020 . 1 . . . . 190 THR HG2 . 18426 1 1069 . 1 1 101 101 THR CA C 13 65.082 0.200 . 1 . . . . 190 THR CA . 18426 1 1070 . 1 1 101 101 THR CB C 13 69.119 0.200 . 1 . . . . 190 THR CB . 18426 1 1071 . 1 1 101 101 THR CG2 C 13 21.677 0.200 . 1 . . . . 190 THR CG2 . 18426 1 1072 . 1 1 101 101 THR N N 15 115.056 0.200 . 1 . . . . 190 THR N . 18426 1 1073 . 1 1 102 102 THR H H 1 8.013 0.020 . 1 . . . . 191 THR H . 18426 1 1074 . 1 1 102 102 THR HA H 1 4.053 0.020 . 1 . . . . 191 THR HA . 18426 1 1075 . 1 1 102 102 THR HB H 1 4.063 0.020 . 1 . . . . 191 THR HB . 18426 1 1076 . 1 1 102 102 THR HG21 H 1 0.911 0.020 . 1 . . . . 191 THR HG2 . 18426 1 1077 . 1 1 102 102 THR HG22 H 1 0.911 0.020 . 1 . . . . 191 THR HG2 . 18426 1 1078 . 1 1 102 102 THR HG23 H 1 0.911 0.020 . 1 . . . . 191 THR HG2 . 18426 1 1079 . 1 1 102 102 THR CA C 13 64.999 0.200 . 1 . . . . 191 THR CA . 18426 1 1080 . 1 1 102 102 THR CB C 13 69.054 0.200 . 1 . . . . 191 THR CB . 18426 1 1081 . 1 1 102 102 THR CG2 C 13 21.268 0.200 . 1 . . . . 191 THR CG2 . 18426 1 1082 . 1 1 102 102 THR N N 15 114.562 0.200 . 1 . . . . 191 THR N . 18426 1 1083 . 1 1 103 103 THR H H 1 8.223 0.020 . 1 . . . . 192 THR H . 18426 1 1084 . 1 1 103 103 THR HA H 1 4.355 0.020 . 1 . . . . 192 THR HA . 18426 1 1085 . 1 1 103 103 THR HB H 1 4.341 0.020 . 1 . . . . 192 THR HB . 18426 1 1086 . 1 1 103 103 THR HG21 H 1 1.315 0.020 . 1 . . . . 192 THR HG2 . 18426 1 1087 . 1 1 103 103 THR HG22 H 1 1.315 0.020 . 1 . . . . 192 THR HG2 . 18426 1 1088 . 1 1 103 103 THR HG23 H 1 1.315 0.020 . 1 . . . . 192 THR HG2 . 18426 1 1089 . 1 1 103 103 THR CA C 13 65.124 0.200 . 1 . . . . 192 THR CA . 18426 1 1090 . 1 1 103 103 THR CB C 13 69.009 0.200 . 1 . . . . 192 THR CB . 18426 1 1091 . 1 1 103 103 THR CG2 C 13 21.468 0.200 . 1 . . . . 192 THR CG2 . 18426 1 1092 . 1 1 103 103 THR N N 15 117.769 0.200 . 1 . . . . 192 THR N . 18426 1 1093 . 1 1 104 104 THR H H 1 7.820 0.020 . 1 . . . . 193 THR H . 18426 1 1094 . 1 1 104 104 THR HA H 1 4.178 0.020 . 1 . . . . 193 THR HA . 18426 1 1095 . 1 1 104 104 THR HB H 1 4.301 0.020 . 1 . . . . 193 THR HB . 18426 1 1096 . 1 1 104 104 THR HG21 H 1 1.315 0.020 . 1 . . . . 193 THR HG2 . 18426 1 1097 . 1 1 104 104 THR HG22 H 1 1.315 0.020 . 1 . . . . 193 THR HG2 . 18426 1 1098 . 1 1 104 104 THR HG23 H 1 1.315 0.020 . 1 . . . . 193 THR HG2 . 18426 1 1099 . 1 1 104 104 THR CA C 13 64.468 0.200 . 1 . . . . 193 THR CA . 18426 1 1100 . 1 1 104 104 THR CB C 13 69.013 0.200 . 1 . . . . 193 THR CB . 18426 1 1101 . 1 1 104 104 THR CG2 C 13 21.915 0.200 . 1 . . . . 193 THR CG2 . 18426 1 1102 . 1 1 104 104 THR N N 15 116.232 0.200 . 1 . . . . 193 THR N . 18426 1 1103 . 1 1 105 105 LYS H H 1 7.530 0.020 . 1 . . . . 194 LYS H . 18426 1 1104 . 1 1 105 105 LYS HA H 1 4.324 0.020 . 1 . . . . 194 LYS HA . 18426 1 1105 . 1 1 105 105 LYS HB2 H 1 2.002 0.020 . 1 . . . . 194 LYS HB2 . 18426 1 1106 . 1 1 105 105 LYS HB3 H 1 1.800 0.020 . 1 . . . . 194 LYS HB3 . 18426 1 1107 . 1 1 105 105 LYS HG2 H 1 1.442 0.020 . 1 . . . . 194 LYS HG2 . 18426 1 1108 . 1 1 105 105 LYS HG3 H 1 1.487 0.020 . 1 . . . . 194 LYS HG3 . 18426 1 1109 . 1 1 105 105 LYS HD2 H 1 1.647 0.020 . 2 . . . . 194 LYS HD2 . 18426 1 1110 . 1 1 105 105 LYS HD3 H 1 1.647 0.020 . 2 . . . . 194 LYS HD3 . 18426 1 1111 . 1 1 105 105 LYS HE2 H 1 2.951 0.020 . 1 . . . . 194 LYS HE2 . 18426 1 1112 . 1 1 105 105 LYS HE3 H 1 2.898 0.020 . 1 . . . . 194 LYS HE3 . 18426 1 1113 . 1 1 105 105 LYS CA C 13 56.219 0.200 . 1 . . . . 194 LYS CA . 18426 1 1114 . 1 1 105 105 LYS CB C 13 32.671 0.200 . 1 . . . . 194 LYS CB . 18426 1 1115 . 1 1 105 105 LYS CG C 13 24.789 0.200 . 1 . . . . 194 LYS CG . 18426 1 1116 . 1 1 105 105 LYS CD C 13 28.961 0.200 . 1 . . . . 194 LYS CD . 18426 1 1117 . 1 1 105 105 LYS CE C 13 41.796 0.200 . 1 . . . . 194 LYS CE . 18426 1 1118 . 1 1 105 105 LYS N N 15 119.954 0.200 . 1 . . . . 194 LYS N . 18426 1 1119 . 1 1 106 106 GLY H H 1 7.942 0.020 . 1 . . . . 195 GLY H . 18426 1 1120 . 1 1 106 106 GLY HA2 H 1 4.137 0.020 . 1 . . . . 195 GLY HA2 . 18426 1 1121 . 1 1 106 106 GLY HA3 H 1 3.788 0.020 . 1 . . . . 195 GLY HA3 . 18426 1 1122 . 1 1 106 106 GLY CA C 13 45.495 0.200 . 1 . . . . 195 GLY CA . 18426 1 1123 . 1 1 106 106 GLY N N 15 108.021 0.200 . 1 . . . . 195 GLY N . 18426 1 1124 . 1 1 107 107 GLU H H 1 7.495 0.020 . 1 . . . . 196 GLU H . 18426 1 1125 . 1 1 107 107 GLU HA H 1 4.246 0.020 . 1 . . . . 196 GLU HA . 18426 1 1126 . 1 1 107 107 GLU HB2 H 1 1.538 0.020 . 1 . . . . 196 GLU HB2 . 18426 1 1127 . 1 1 107 107 GLU HB3 H 1 1.569 0.020 . 1 . . . . 196 GLU HB3 . 18426 1 1128 . 1 1 107 107 GLU HG2 H 1 2.051 0.020 . 1 . . . . 196 GLU HG2 . 18426 1 1129 . 1 1 107 107 GLU HG3 H 1 1.890 0.020 . 1 . . . . 196 GLU HG3 . 18426 1 1130 . 1 1 107 107 GLU CA C 13 55.573 0.200 . 1 . . . . 196 GLU CA . 18426 1 1131 . 1 1 107 107 GLU CB C 13 31.139 0.200 . 1 . . . . 196 GLU CB . 18426 1 1132 . 1 1 107 107 GLU CG C 13 35.947 0.200 . 1 . . . . 196 GLU CG . 18426 1 1133 . 1 1 107 107 GLU N N 15 120.036 0.200 . 1 . . . . 196 GLU N . 18426 1 1134 . 1 1 108 108 ASN H H 1 8.457 0.020 . 1 . . . . 197 ASN H . 18426 1 1135 . 1 1 108 108 ASN HA H 1 4.641 0.020 . 1 . . . . 197 ASN HA . 18426 1 1136 . 1 1 108 108 ASN HB2 H 1 2.574 0.020 . 1 . . . . 197 ASN HB2 . 18426 1 1137 . 1 1 108 108 ASN HB3 H 1 2.622 0.020 . 1 . . . . 197 ASN HB3 . 18426 1 1138 . 1 1 108 108 ASN HD21 H 1 7.533 0.020 . 1 . . . . 197 ASN HD21 . 18426 1 1139 . 1 1 108 108 ASN HD22 H 1 6.790 0.020 . 1 . . . . 197 ASN HD22 . 18426 1 1140 . 1 1 108 108 ASN CA C 13 52.715 0.200 . 1 . . . . 197 ASN CA . 18426 1 1141 . 1 1 108 108 ASN CB C 13 40.955 0.200 . 1 . . . . 197 ASN CB . 18426 1 1142 . 1 1 108 108 ASN N N 15 119.387 0.200 . 1 . . . . 197 ASN N . 18426 1 1143 . 1 1 108 108 ASN ND2 N 15 113.205 0.200 . 1 . . . . 197 ASN ND2 . 18426 1 1144 . 1 1 109 109 PHE H H 1 8.705 0.020 . 1 . . . . 198 PHE H . 18426 1 1145 . 1 1 109 109 PHE HA H 1 5.308 0.020 . 1 . . . . 198 PHE HA . 18426 1 1146 . 1 1 109 109 PHE HB2 H 1 3.138 0.020 . 1 . . . . 198 PHE HB2 . 18426 1 1147 . 1 1 109 109 PHE HB3 H 1 2.907 0.020 . 1 . . . . 198 PHE HB3 . 18426 1 1148 . 1 1 109 109 PHE HD1 H 1 7.328 0.020 . 3 . . . . 198 PHE HD1 . 18426 1 1149 . 1 1 109 109 PHE HD2 H 1 7.327 0.020 . 3 . . . . 198 PHE HD2 . 18426 1 1150 . 1 1 109 109 PHE HE1 H 1 7.453 0.020 . 3 . . . . 198 PHE HE1 . 18426 1 1151 . 1 1 109 109 PHE HE2 H 1 7.453 0.020 . 3 . . . . 198 PHE HE2 . 18426 1 1152 . 1 1 109 109 PHE HZ H 1 7.298 0.020 . 1 . . . . 198 PHE HZ . 18426 1 1153 . 1 1 109 109 PHE CA C 13 56.544 0.200 . 1 . . . . 198 PHE CA . 18426 1 1154 . 1 1 109 109 PHE CB C 13 40.157 0.200 . 1 . . . . 198 PHE CB . 18426 1 1155 . 1 1 109 109 PHE CD1 C 13 131.564 0.200 . 3 . . . . 198 PHE CD1 . 18426 1 1156 . 1 1 109 109 PHE CD2 C 13 131.564 0.200 . 3 . . . . 198 PHE CD2 . 18426 1 1157 . 1 1 109 109 PHE CE1 C 13 130.223 0.200 . 3 . . . . 198 PHE CE1 . 18426 1 1158 . 1 1 109 109 PHE CE2 C 13 130.223 0.200 . 3 . . . . 198 PHE CE2 . 18426 1 1159 . 1 1 109 109 PHE CZ C 13 131.421 0.200 . 1 . . . . 198 PHE CZ . 18426 1 1160 . 1 1 109 109 PHE N N 15 121.734 0.200 . 1 . . . . 198 PHE N . 18426 1 1161 . 1 1 110 110 THR H H 1 9.543 0.020 . 1 . . . . 199 THR H . 18426 1 1162 . 1 1 110 110 THR HA H 1 4.612 0.020 . 1 . . . . 199 THR HA . 18426 1 1163 . 1 1 110 110 THR HB H 1 4.820 0.020 . 1 . . . . 199 THR HB . 18426 1 1164 . 1 1 110 110 THR HG21 H 1 1.414 0.020 . 1 . . . . 199 THR HG2 . 18426 1 1165 . 1 1 110 110 THR HG22 H 1 1.414 0.020 . 1 . . . . 199 THR HG2 . 18426 1 1166 . 1 1 110 110 THR HG23 H 1 1.414 0.020 . 1 . . . . 199 THR HG2 . 18426 1 1167 . 1 1 110 110 THR CA C 13 60.371 0.200 . 1 . . . . 199 THR CA . 18426 1 1168 . 1 1 110 110 THR CB C 13 72.062 0.200 . 1 . . . . 199 THR CB . 18426 1 1169 . 1 1 110 110 THR CG2 C 13 21.681 0.200 . 1 . . . . 199 THR CG2 . 18426 1 1170 . 1 1 110 110 THR N N 15 115.929 0.200 . 1 . . . . 199 THR N . 18426 1 1171 . 1 1 111 111 GLU H H 1 9.132 0.020 . 1 . . . . 200 GLU H . 18426 1 1172 . 1 1 111 111 GLU HA H 1 4.049 0.020 . 1 . . . . 200 GLU HA . 18426 1 1173 . 1 1 111 111 GLU HB2 H 1 2.108 0.020 . 1 . . . . 200 GLU HB2 . 18426 1 1174 . 1 1 111 111 GLU HB3 H 1 2.049 0.020 . 1 . . . . 200 GLU HB3 . 18426 1 1175 . 1 1 111 111 GLU HG2 H 1 2.309 0.020 . 1 . . . . 200 GLU HG2 . 18426 1 1176 . 1 1 111 111 GLU HG3 H 1 2.384 0.020 . 1 . . . . 200 GLU HG3 . 18426 1 1177 . 1 1 111 111 GLU CA C 13 60.027 0.200 . 1 . . . . 200 GLU CA . 18426 1 1178 . 1 1 111 111 GLU CB C 13 29.058 0.200 . 1 . . . . 200 GLU CB . 18426 1 1179 . 1 1 111 111 GLU CG C 13 36.279 0.200 . 1 . . . . 200 GLU CG . 18426 1 1180 . 1 1 111 111 GLU N N 15 119.979 0.000 . 1 . . . . 200 GLU N . 18426 1 1181 . 1 1 112 112 THR H H 1 7.934 0.020 . 1 . . . . 201 THR H . 18426 1 1182 . 1 1 112 112 THR HA H 1 3.783 0.020 . 1 . . . . 201 THR HA . 18426 1 1183 . 1 1 112 112 THR HB H 1 3.692 0.020 . 1 . . . . 201 THR HB . 18426 1 1184 . 1 1 112 112 THR HG21 H 1 0.688 0.020 . 1 . . . . 201 THR HG2 . 18426 1 1185 . 1 1 112 112 THR HG22 H 1 0.688 0.020 . 1 . . . . 201 THR HG2 . 18426 1 1186 . 1 1 112 112 THR HG23 H 1 0.688 0.020 . 1 . . . . 201 THR HG2 . 18426 1 1187 . 1 1 112 112 THR CA C 13 66.769 0.200 . 1 . . . . 201 THR CA . 18426 1 1188 . 1 1 112 112 THR CB C 13 68.588 0.200 . 1 . . . . 201 THR CB . 18426 1 1189 . 1 1 112 112 THR CG2 C 13 21.009 0.200 . 1 . . . . 201 THR CG2 . 18426 1 1190 . 1 1 112 112 THR N N 15 116.215 0.200 . 1 . . . . 201 THR N . 18426 1 1191 . 1 1 113 113 ASP H H 1 7.500 0.020 . 1 . . . . 202 ASP H . 18426 1 1192 . 1 1 113 113 ASP HA H 1 4.584 0.020 . 1 . . . . 202 ASP HA . 18426 1 1193 . 1 1 113 113 ASP HB2 H 1 3.418 0.020 . 1 . . . . 202 ASP HB2 . 18426 1 1194 . 1 1 113 113 ASP HB3 H 1 2.652 0.020 . 1 . . . . 202 ASP HB3 . 18426 1 1195 . 1 1 113 113 ASP CA C 13 57.975 0.200 . 1 . . . . 202 ASP CA . 18426 1 1196 . 1 1 113 113 ASP CB C 13 41.864 0.200 . 1 . . . . 202 ASP CB . 18426 1 1197 . 1 1 113 113 ASP N N 15 119.975 0.200 . 1 . . . . 202 ASP N . 18426 1 1198 . 1 1 114 114 VAL H H 1 8.212 0.020 . 1 . . . . 203 VAL H . 18426 1 1199 . 1 1 114 114 VAL HA H 1 3.263 0.020 . 1 . . . . 203 VAL HA . 18426 1 1200 . 1 1 114 114 VAL HB H 1 2.081 0.020 . 1 . . . . 203 VAL HB . 18426 1 1201 . 1 1 114 114 VAL HG11 H 1 0.871 0.020 . 1 . . . . 203 VAL HG1 . 18426 1 1202 . 1 1 114 114 VAL HG12 H 1 0.871 0.020 . 1 . . . . 203 VAL HG1 . 18426 1 1203 . 1 1 114 114 VAL HG13 H 1 0.871 0.020 . 1 . . . . 203 VAL HG1 . 18426 1 1204 . 1 1 114 114 VAL HG21 H 1 0.950 0.020 . 1 . . . . 203 VAL HG2 . 18426 1 1205 . 1 1 114 114 VAL HG22 H 1 0.950 0.020 . 1 . . . . 203 VAL HG2 . 18426 1 1206 . 1 1 114 114 VAL HG23 H 1 0.950 0.020 . 1 . . . . 203 VAL HG2 . 18426 1 1207 . 1 1 114 114 VAL CA C 13 67.798 0.200 . 1 . . . . 203 VAL CA . 18426 1 1208 . 1 1 114 114 VAL CB C 13 31.513 0.200 . 1 . . . . 203 VAL CB . 18426 1 1209 . 1 1 114 114 VAL CG1 C 13 21.161 0.200 . 1 . . . . 203 VAL CG1 . 18426 1 1210 . 1 1 114 114 VAL CG2 C 13 22.706 0.200 . 1 . . . . 203 VAL CG2 . 18426 1 1211 . 1 1 114 114 VAL N N 15 119.513 0.200 . 1 . . . . 203 VAL N . 18426 1 1212 . 1 1 115 115 LYS H H 1 7.710 0.020 . 1 . . . . 204 LYS H . 18426 1 1213 . 1 1 115 115 LYS HA H 1 4.067 0.020 . 1 . . . . 204 LYS HA . 18426 1 1214 . 1 1 115 115 LYS HB2 H 1 1.947 0.020 . 1 . . . . 204 LYS HB2 . 18426 1 1215 . 1 1 115 115 LYS HB3 H 1 1.909 0.020 . 1 . . . . 204 LYS HB3 . 18426 1 1216 . 1 1 115 115 LYS HG2 H 1 1.607 0.020 . 1 . . . . 204 LYS HG2 . 18426 1 1217 . 1 1 115 115 LYS HG3 H 1 1.456 0.020 . 1 . . . . 204 LYS HG3 . 18426 1 1218 . 1 1 115 115 LYS HD2 H 1 1.678 0.020 . 1 . . . . 204 LYS HD2 . 18426 1 1219 . 1 1 115 115 LYS HD3 H 1 1.684 0.020 . 1 . . . . 204 LYS HD3 . 18426 1 1220 . 1 1 115 115 LYS HE2 H 1 2.950 0.020 . 1 . . . . 204 LYS HE2 . 18426 1 1221 . 1 1 115 115 LYS HE3 H 1 2.918 0.020 . 1 . . . . 204 LYS HE3 . 18426 1 1222 . 1 1 115 115 LYS CA C 13 59.198 0.200 . 1 . . . . 204 LYS CA . 18426 1 1223 . 1 1 115 115 LYS CB C 13 32.221 0.200 . 1 . . . . 204 LYS CB . 18426 1 1224 . 1 1 115 115 LYS CG C 13 25.096 0.200 . 1 . . . . 204 LYS CG . 18426 1 1225 . 1 1 115 115 LYS CD C 13 29.057 0.200 . 1 . . . . 204 LYS CD . 18426 1 1226 . 1 1 115 115 LYS CE C 13 41.774 0.200 . 1 . . . . 204 LYS CE . 18426 1 1227 . 1 1 115 115 LYS N N 15 119.055 0.200 . 1 . . . . 204 LYS N . 18426 1 1228 . 1 1 116 116 MET H H 1 8.183 0.020 . 1 . . . . 205 MET H . 18426 1 1229 . 1 1 116 116 MET HA H 1 4.148 0.020 . 1 . . . . 205 MET HA . 18426 1 1230 . 1 1 116 116 MET HB2 H 1 2.244 0.020 . 1 . . . . 205 MET HB2 . 18426 1 1231 . 1 1 116 116 MET HB3 H 1 1.945 0.020 . 1 . . . . 205 MET HB3 . 18426 1 1232 . 1 1 116 116 MET HG2 H 1 2.945 0.020 . 1 . . . . 205 MET HG2 . 18426 1 1233 . 1 1 116 116 MET HG3 H 1 2.161 0.020 . 1 . . . . 205 MET HG3 . 18426 1 1234 . 1 1 116 116 MET HE1 H 1 1.480 0.020 . 1 . . . . 205 MET HE . 18426 1 1235 . 1 1 116 116 MET HE2 H 1 1.480 0.020 . 1 . . . . 205 MET HE . 18426 1 1236 . 1 1 116 116 MET HE3 H 1 1.480 0.020 . 1 . . . . 205 MET HE . 18426 1 1237 . 1 1 116 116 MET CA C 13 60.076 0.200 . 1 . . . . 205 MET CA . 18426 1 1238 . 1 1 116 116 MET CB C 13 32.696 0.200 . 1 . . . . 205 MET CB . 18426 1 1239 . 1 1 116 116 MET CG C 13 34.149 0.200 . 1 . . . . 205 MET CG . 18426 1 1240 . 1 1 116 116 MET CE C 13 18.220 0.200 . 1 . . . . 205 MET CE . 18426 1 1241 . 1 1 116 116 MET N N 15 118.609 0.200 . 1 . . . . 205 MET N . 18426 1 1242 . 1 1 117 117 MET H H 1 8.697 0.020 . 1 . . . . 206 MET H . 18426 1 1243 . 1 1 117 117 MET HA H 1 3.543 0.020 . 1 . . . . 206 MET HA . 18426 1 1244 . 1 1 117 117 MET HB2 H 1 2.036 0.020 . 1 . . . . 206 MET HB2 . 18426 1 1245 . 1 1 117 117 MET HB3 H 1 1.565 0.020 . 1 . . . . 206 MET HB3 . 18426 1 1246 . 1 1 117 117 MET HG2 H 1 1.696 0.020 . 1 . . . . 206 MET HG2 . 18426 1 1247 . 1 1 117 117 MET HG3 H 1 1.961 0.020 . 1 . . . . 206 MET HG3 . 18426 1 1248 . 1 1 117 117 MET HE1 H 1 1.294 0.020 . 1 . . . . 206 MET HE . 18426 1 1249 . 1 1 117 117 MET HE2 H 1 1.294 0.020 . 1 . . . . 206 MET HE . 18426 1 1250 . 1 1 117 117 MET HE3 H 1 1.294 0.020 . 1 . . . . 206 MET HE . 18426 1 1251 . 1 1 117 117 MET CA C 13 59.852 0.200 . 1 . . . . 206 MET CA . 18426 1 1252 . 1 1 117 117 MET CB C 13 33.071 0.200 . 1 . . . . 206 MET CB . 18426 1 1253 . 1 1 117 117 MET CG C 13 33.739 0.200 . 1 . . . . 206 MET CG . 18426 1 1254 . 1 1 117 117 MET CE C 13 15.867 0.200 . 1 . . . . 206 MET CE . 18426 1 1255 . 1 1 117 117 MET N N 15 118.275 0.200 . 1 . . . . 206 MET N . 18426 1 1256 . 1 1 118 118 GLU H H 1 8.510 0.020 . 1 . . . . 207 GLU H . 18426 1 1257 . 1 1 118 118 GLU HA H 1 3.648 0.020 . 1 . . . . 207 GLU HA . 18426 1 1258 . 1 1 118 118 GLU HB2 H 1 1.966 0.020 . 1 . . . . 207 GLU HB2 . 18426 1 1259 . 1 1 118 118 GLU HB3 H 1 2.230 0.020 . 1 . . . . 207 GLU HB3 . 18426 1 1260 . 1 1 118 118 GLU HG2 H 1 2.101 0.020 . 1 . . . . 207 GLU HG2 . 18426 1 1261 . 1 1 118 118 GLU HG3 H 1 2.510 0.020 . 1 . . . . 207 GLU HG3 . 18426 1 1262 . 1 1 118 118 GLU CA C 13 60.461 0.200 . 1 . . . . 207 GLU CA . 18426 1 1263 . 1 1 118 118 GLU CB C 13 29.017 0.200 . 1 . . . . 207 GLU CB . 18426 1 1264 . 1 1 118 118 GLU CG C 13 36.231 0.200 . 1 . . . . 207 GLU CG . 18426 1 1265 . 1 1 118 118 GLU N N 15 118.719 0.200 . 1 . . . . 207 GLU N . 18426 1 1266 . 1 1 119 119 ARG H H 1 7.281 0.020 . 1 . . . . 208 ARG H . 18426 1 1267 . 1 1 119 119 ARG HA H 1 4.214 0.020 . 1 . . . . 208 ARG HA . 18426 1 1268 . 1 1 119 119 ARG HB2 H 1 2.080 0.020 . 1 . . . . 208 ARG HB2 . 18426 1 1269 . 1 1 119 119 ARG HB3 H 1 1.935 0.020 . 1 . . . . 208 ARG HB3 . 18426 1 1270 . 1 1 119 119 ARG HG2 H 1 1.825 0.020 . 1 . . . . 208 ARG HG2 . 18426 1 1271 . 1 1 119 119 ARG HG3 H 1 1.746 0.020 . 1 . . . . 208 ARG HG3 . 18426 1 1272 . 1 1 119 119 ARG HD2 H 1 3.236 0.020 . 1 . . . . 208 ARG HD2 . 18426 1 1273 . 1 1 119 119 ARG HD3 H 1 3.140 0.020 . 1 . . . . 208 ARG HD3 . 18426 1 1274 . 1 1 119 119 ARG CA C 13 58.424 0.200 . 1 . . . . 208 ARG CA . 18426 1 1275 . 1 1 119 119 ARG CB C 13 30.057 0.200 . 1 . . . . 208 ARG CB . 18426 1 1276 . 1 1 119 119 ARG CG C 13 26.855 0.200 . 1 . . . . 208 ARG CG . 18426 1 1277 . 1 1 119 119 ARG CD C 13 42.526 0.200 . 1 . . . . 208 ARG CD . 18426 1 1278 . 1 1 119 119 ARG N N 15 116.762 0.200 . 1 . . . . 208 ARG N . 18426 1 1279 . 1 1 120 120 VAL H H 1 8.275 0.020 . 1 . . . . 209 VAL H . 18426 1 1280 . 1 1 120 120 VAL HA H 1 3.812 0.020 . 1 . . . . 209 VAL HA . 18426 1 1281 . 1 1 120 120 VAL HB H 1 2.290 0.020 . 1 . . . . 209 VAL HB . 18426 1 1282 . 1 1 120 120 VAL HG11 H 1 1.261 0.020 . 1 . . . . 209 VAL HG1 . 18426 1 1283 . 1 1 120 120 VAL HG12 H 1 1.261 0.020 . 1 . . . . 209 VAL HG1 . 18426 1 1284 . 1 1 120 120 VAL HG13 H 1 1.261 0.020 . 1 . . . . 209 VAL HG1 . 18426 1 1285 . 1 1 120 120 VAL HG21 H 1 1.299 0.020 . 1 . . . . 209 VAL HG2 . 18426 1 1286 . 1 1 120 120 VAL HG22 H 1 1.299 0.020 . 1 . . . . 209 VAL HG2 . 18426 1 1287 . 1 1 120 120 VAL HG23 H 1 1.299 0.020 . 1 . . . . 209 VAL HG2 . 18426 1 1288 . 1 1 120 120 VAL CA C 13 65.824 0.200 . 1 . . . . 209 VAL CA . 18426 1 1289 . 1 1 120 120 VAL CB C 13 32.284 0.200 . 1 . . . . 209 VAL CB . 18426 1 1290 . 1 1 120 120 VAL CG1 C 13 20.926 0.200 . 1 . . . . 209 VAL CG1 . 18426 1 1291 . 1 1 120 120 VAL CG2 C 13 24.022 0.200 . 1 . . . . 209 VAL CG2 . 18426 1 1292 . 1 1 120 120 VAL N N 15 119.020 0.200 . 1 . . . . 209 VAL N . 18426 1 1293 . 1 1 121 121 VAL H H 1 9.129 0.020 . 1 . . . . 210 VAL H . 18426 1 1294 . 1 1 121 121 VAL HA H 1 3.653 0.020 . 1 . . . . 210 VAL HA . 18426 1 1295 . 1 1 121 121 VAL HB H 1 2.256 0.020 . 1 . . . . 210 VAL HB . 18426 1 1296 . 1 1 121 121 VAL HG11 H 1 1.214 0.020 . 1 . . . . 210 VAL HG1 . 18426 1 1297 . 1 1 121 121 VAL HG12 H 1 1.214 0.020 . 1 . . . . 210 VAL HG1 . 18426 1 1298 . 1 1 121 121 VAL HG13 H 1 1.214 0.020 . 1 . . . . 210 VAL HG1 . 18426 1 1299 . 1 1 121 121 VAL HG21 H 1 0.927 0.020 . 1 . . . . 210 VAL HG2 . 18426 1 1300 . 1 1 121 121 VAL HG22 H 1 0.927 0.020 . 1 . . . . 210 VAL HG2 . 18426 1 1301 . 1 1 121 121 VAL HG23 H 1 0.927 0.020 . 1 . . . . 210 VAL HG2 . 18426 1 1302 . 1 1 121 121 VAL CA C 13 66.173 0.200 . 1 . . . . 210 VAL CA . 18426 1 1303 . 1 1 121 121 VAL CB C 13 31.088 0.200 . 1 . . . . 210 VAL CB . 18426 1 1304 . 1 1 121 121 VAL CG1 C 13 24.864 0.200 . 1 . . . . 210 VAL CG1 . 18426 1 1305 . 1 1 121 121 VAL CG2 C 13 24.344 0.200 . 1 . . . . 210 VAL CG2 . 18426 1 1306 . 1 1 121 121 VAL N N 15 121.406 0.200 . 1 . . . . 210 VAL N . 18426 1 1307 . 1 1 122 122 GLU H H 1 8.022 0.020 . 1 . . . . 211 GLU H . 18426 1 1308 . 1 1 122 122 GLU HA H 1 3.577 0.020 . 1 . . . . 211 GLU HA . 18426 1 1309 . 1 1 122 122 GLU HB2 H 1 2.225 0.020 . 1 . . . . 211 GLU HB2 . 18426 1 1310 . 1 1 122 122 GLU HB3 H 1 2.050 0.020 . 1 . . . . 211 GLU HB3 . 18426 1 1311 . 1 1 122 122 GLU HG2 H 1 2.104 0.020 . 2 . . . . 211 GLU HG2 . 18426 1 1312 . 1 1 122 122 GLU HG3 H 1 2.104 0.020 . 2 . . . . 211 GLU HG3 . 18426 1 1313 . 1 1 122 122 GLU CA C 13 61.147 0.200 . 1 . . . . 211 GLU CA . 18426 1 1314 . 1 1 122 122 GLU CB C 13 29.164 0.200 . 1 . . . . 211 GLU CB . 18426 1 1315 . 1 1 122 122 GLU CG C 13 36.082 0.200 . 1 . . . . 211 GLU CG . 18426 1 1316 . 1 1 122 122 GLU N N 15 120.689 0.200 . 1 . . . . 211 GLU N . 18426 1 1317 . 1 1 123 123 GLN H H 1 7.129 0.020 . 1 . . . . 212 GLN H . 18426 1 1318 . 1 1 123 123 GLN HA H 1 3.966 0.020 . 1 . . . . 212 GLN HA . 18426 1 1319 . 1 1 123 123 GLN HB2 H 1 2.118 0.020 . 1 . . . . 212 GLN HB2 . 18426 1 1320 . 1 1 123 123 GLN HB3 H 1 2.204 0.020 . 1 . . . . 212 GLN HB3 . 18426 1 1321 . 1 1 123 123 GLN HG2 H 1 2.400 0.020 . 1 . . . . 212 GLN HG2 . 18426 1 1322 . 1 1 123 123 GLN HG3 H 1 2.456 0.020 . 1 . . . . 212 GLN HG3 . 18426 1 1323 . 1 1 123 123 GLN HE21 H 1 7.558 0.020 . 1 . . . . 212 GLN HE21 . 18426 1 1324 . 1 1 123 123 GLN HE22 H 1 6.867 0.020 . 1 . . . . 212 GLN HE22 . 18426 1 1325 . 1 1 123 123 GLN CA C 13 58.996 0.200 . 1 . . . . 212 GLN CA . 18426 1 1326 . 1 1 123 123 GLN CB C 13 27.661 0.200 . 1 . . . . 212 GLN CB . 18426 1 1327 . 1 1 123 123 GLN CG C 13 33.823 0.200 . 1 . . . . 212 GLN CG . 18426 1 1328 . 1 1 123 123 GLN N N 15 114.869 0.200 . 1 . . . . 212 GLN N . 18426 1 1329 . 1 1 123 123 GLN NE2 N 15 113.214 0.200 . 1 . . . . 212 GLN NE2 . 18426 1 1330 . 1 1 124 124 MET H H 1 8.154 0.020 . 1 . . . . 213 MET H . 18426 1 1331 . 1 1 124 124 MET HA H 1 4.142 0.020 . 1 . . . . 213 MET HA . 18426 1 1332 . 1 1 124 124 MET HB2 H 1 2.139 0.020 . 1 . . . . 213 MET HB2 . 18426 1 1333 . 1 1 124 124 MET HB3 H 1 2.153 0.020 . 1 . . . . 213 MET HB3 . 18426 1 1334 . 1 1 124 124 MET HG2 H 1 2.802 0.020 . 1 . . . . 213 MET HG2 . 18426 1 1335 . 1 1 124 124 MET HG3 H 1 2.454 0.020 . 1 . . . . 213 MET HG3 . 18426 1 1336 . 1 1 124 124 MET HE1 H 1 1.872 0.020 . 1 . . . . 213 MET HE . 18426 1 1337 . 1 1 124 124 MET HE2 H 1 1.872 0.020 . 1 . . . . 213 MET HE . 18426 1 1338 . 1 1 124 124 MET HE3 H 1 1.872 0.020 . 1 . . . . 213 MET HE . 18426 1 1339 . 1 1 124 124 MET CA C 13 59.937 0.200 . 1 . . . . 213 MET CA . 18426 1 1340 . 1 1 124 124 MET CB C 13 34.460 0.200 . 1 . . . . 213 MET CB . 18426 1 1341 . 1 1 124 124 MET CG C 13 32.352 0.200 . 1 . . . . 213 MET CG . 18426 1 1342 . 1 1 124 124 MET CE C 13 16.636 0.200 . 1 . . . . 213 MET CE . 18426 1 1343 . 1 1 124 124 MET N N 15 119.356 0.200 . 1 . . . . 213 MET N . 18426 1 1344 . 1 1 125 125 CYS H H 1 9.231 0.020 . 1 . . . . 214 CYS H . 18426 1 1345 . 1 1 125 125 CYS HA H 1 4.402 0.020 . 1 . . . . 214 CYS HA . 18426 1 1346 . 1 1 125 125 CYS HB2 H 1 3.522 0.020 . 1 . . . . 214 CYS HB2 . 18426 1 1347 . 1 1 125 125 CYS HB3 H 1 2.900 0.020 . 1 . . . . 214 CYS HB3 . 18426 1 1348 . 1 1 125 125 CYS CA C 13 59.867 0.200 . 1 . . . . 214 CYS CA . 18426 1 1349 . 1 1 125 125 CYS CB C 13 41.888 0.200 . 1 . . . . 214 CYS CB . 18426 1 1350 . 1 1 125 125 CYS N N 15 119.433 0.200 . 1 . . . . 214 CYS N . 18426 1 1351 . 1 1 126 126 ILE H H 1 8.385 0.020 . 1 . . . . 215 ILE H . 18426 1 1352 . 1 1 126 126 ILE HA H 1 3.582 0.020 . 1 . . . . 215 ILE HA . 18426 1 1353 . 1 1 126 126 ILE HB H 1 2.006 0.020 . 1 . . . . 215 ILE HB . 18426 1 1354 . 1 1 126 126 ILE HG12 H 1 0.841 0.020 . 1 . . . . 215 ILE HG12 . 18426 1 1355 . 1 1 126 126 ILE HG13 H 1 1.976 0.020 . 1 . . . . 215 ILE HG13 . 18426 1 1356 . 1 1 126 126 ILE HG21 H 1 0.896 0.020 . 1 . . . . 215 ILE HG2 . 18426 1 1357 . 1 1 126 126 ILE HG22 H 1 0.896 0.020 . 1 . . . . 215 ILE HG2 . 18426 1 1358 . 1 1 126 126 ILE HG23 H 1 0.896 0.020 . 1 . . . . 215 ILE HG2 . 18426 1 1359 . 1 1 126 126 ILE HD11 H 1 0.836 0.020 . 1 . . . . 215 ILE HD1 . 18426 1 1360 . 1 1 126 126 ILE HD12 H 1 0.836 0.020 . 1 . . . . 215 ILE HD1 . 18426 1 1361 . 1 1 126 126 ILE HD13 H 1 0.836 0.020 . 1 . . . . 215 ILE HD1 . 18426 1 1362 . 1 1 126 126 ILE CA C 13 66.629 0.200 . 1 . . . . 215 ILE CA . 18426 1 1363 . 1 1 126 126 ILE CB C 13 38.074 0.200 . 1 . . . . 215 ILE CB . 18426 1 1364 . 1 1 126 126 ILE CG1 C 13 30.941 0.200 . 1 . . . . 215 ILE CG1 . 18426 1 1365 . 1 1 126 126 ILE CG2 C 13 17.236 0.200 . 1 . . . . 215 ILE CG2 . 18426 1 1366 . 1 1 126 126 ILE CD1 C 13 14.044 0.200 . 1 . . . . 215 ILE CD1 . 18426 1 1367 . 1 1 126 126 ILE N N 15 124.109 0.200 . 1 . . . . 215 ILE N . 18426 1 1368 . 1 1 127 127 THR H H 1 8.094 0.020 . 1 . . . . 216 THR H . 18426 1 1369 . 1 1 127 127 THR HA H 1 3.961 0.020 . 1 . . . . 216 THR HA . 18426 1 1370 . 1 1 127 127 THR HB H 1 4.305 0.020 . 1 . . . . 216 THR HB . 18426 1 1371 . 1 1 127 127 THR HG21 H 1 1.217 0.020 . 1 . . . . 216 THR HG2 . 18426 1 1372 . 1 1 127 127 THR HG22 H 1 1.217 0.020 . 1 . . . . 216 THR HG2 . 18426 1 1373 . 1 1 127 127 THR HG23 H 1 1.217 0.020 . 1 . . . . 216 THR HG2 . 18426 1 1374 . 1 1 127 127 THR CA C 13 66.992 0.200 . 1 . . . . 216 THR CA . 18426 1 1375 . 1 1 127 127 THR CB C 13 68.195 0.200 . 1 . . . . 216 THR CB . 18426 1 1376 . 1 1 127 127 THR CG2 C 13 21.976 0.200 . 1 . . . . 216 THR CG2 . 18426 1 1377 . 1 1 127 127 THR N N 15 118.658 0.200 . 1 . . . . 216 THR N . 18426 1 1378 . 1 1 128 128 GLN H H 1 8.648 0.020 . 1 . . . . 217 GLN H . 18426 1 1379 . 1 1 128 128 GLN HA H 1 3.654 0.020 . 1 . . . . 217 GLN HA . 18426 1 1380 . 1 1 128 128 GLN HB2 H 1 2.254 0.020 . 1 . . . . 217 GLN HB2 . 18426 1 1381 . 1 1 128 128 GLN HB3 H 1 2.122 0.020 . 1 . . . . 217 GLN HB3 . 18426 1 1382 . 1 1 128 128 GLN HG2 H 1 1.745 0.020 . 1 . . . . 217 GLN HG2 . 18426 1 1383 . 1 1 128 128 GLN HG3 H 1 1.616 0.020 . 1 . . . . 217 GLN HG3 . 18426 1 1384 . 1 1 128 128 GLN HE21 H 1 7.238 0.020 . 1 . . . . 217 GLN HE21 . 18426 1 1385 . 1 1 128 128 GLN HE22 H 1 6.739 0.020 . 1 . . . . 217 GLN HE22 . 18426 1 1386 . 1 1 128 128 GLN CA C 13 58.436 0.200 . 1 . . . . 217 GLN CA . 18426 1 1387 . 1 1 128 128 GLN CB C 13 28.180 0.200 . 1 . . . . 217 GLN CB . 18426 1 1388 . 1 1 128 128 GLN CG C 13 32.513 0.200 . 1 . . . . 217 GLN CG . 18426 1 1389 . 1 1 128 128 GLN N N 15 122.085 0.200 . 1 . . . . 217 GLN N . 18426 1 1390 . 1 1 128 128 GLN NE2 N 15 115.370 0.200 . 1 . . . . 217 GLN NE2 . 18426 1 1391 . 1 1 129 129 TYR H H 1 8.634 0.020 . 1 . . . . 218 TYR H . 18426 1 1392 . 1 1 129 129 TYR HA H 1 2.937 0.020 . 1 . . . . 218 TYR HA . 18426 1 1393 . 1 1 129 129 TYR HB2 H 1 3.100 0.020 . 1 . . . . 218 TYR HB2 . 18426 1 1394 . 1 1 129 129 TYR HB3 H 1 2.736 0.020 . 1 . . . . 218 TYR HB3 . 18426 1 1395 . 1 1 129 129 TYR HD1 H 1 6.220 0.020 . 3 . . . . 218 TYR HD1 . 18426 1 1396 . 1 1 129 129 TYR HD2 H 1 6.220 0.020 . 3 . . . . 218 TYR HD2 . 18426 1 1397 . 1 1 129 129 TYR HE1 H 1 6.541 0.020 . 3 . . . . 218 TYR HE1 . 18426 1 1398 . 1 1 129 129 TYR HE2 H 1 6.541 0.020 . 3 . . . . 218 TYR HE2 . 18426 1 1399 . 1 1 129 129 TYR CA C 13 62.007 0.200 . 1 . . . . 218 TYR CA . 18426 1 1400 . 1 1 129 129 TYR CB C 13 36.990 0.200 . 1 . . . . 218 TYR CB . 18426 1 1401 . 1 1 129 129 TYR CD1 C 13 132.546 0.200 . 3 . . . . 218 TYR CD1 . 18426 1 1402 . 1 1 129 129 TYR CD2 C 13 132.546 0.200 . 3 . . . . 218 TYR CD2 . 18426 1 1403 . 1 1 129 129 TYR CE1 C 13 117.802 0.200 . 3 . . . . 218 TYR CE1 . 18426 1 1404 . 1 1 129 129 TYR CE2 C 13 117.802 0.200 . 3 . . . . 218 TYR CE2 . 18426 1 1405 . 1 1 129 129 TYR N N 15 121.541 0.200 . 1 . . . . 218 TYR N . 18426 1 1406 . 1 1 130 130 GLU H H 1 8.304 0.020 . 1 . . . . 219 GLU H . 18426 1 1407 . 1 1 130 130 GLU HA H 1 3.709 0.020 . 1 . . . . 219 GLU HA . 18426 1 1408 . 1 1 130 130 GLU HB2 H 1 2.325 0.020 . 1 . . . . 219 GLU HB2 . 18426 1 1409 . 1 1 130 130 GLU HB3 H 1 2.104 0.020 . 1 . . . . 219 GLU HB3 . 18426 1 1410 . 1 1 130 130 GLU HG2 H 1 2.565 0.020 . 1 . . . . 219 GLU HG2 . 18426 1 1411 . 1 1 130 130 GLU HG3 H 1 2.296 0.020 . 1 . . . . 219 GLU HG3 . 18426 1 1412 . 1 1 130 130 GLU CA C 13 59.672 0.200 . 1 . . . . 219 GLU CA . 18426 1 1413 . 1 1 130 130 GLU CB C 13 28.735 0.200 . 1 . . . . 219 GLU CB . 18426 1 1414 . 1 1 130 130 GLU CG C 13 35.947 0.200 . 1 . . . . 219 GLU CG . 18426 1 1415 . 1 1 130 130 GLU N N 15 121.386 0.200 . 1 . . . . 219 GLU N . 18426 1 1416 . 1 1 131 131 ARG H H 1 7.830 0.020 . 1 . . . . 220 ARG H . 18426 1 1417 . 1 1 131 131 ARG HA H 1 3.975 0.020 . 1 . . . . 220 ARG HA . 18426 1 1418 . 1 1 131 131 ARG HB2 H 1 1.873 0.020 . 1 . . . . 220 ARG HB2 . 18426 1 1419 . 1 1 131 131 ARG HB3 H 1 1.846 0.020 . 1 . . . . 220 ARG HB3 . 18426 1 1420 . 1 1 131 131 ARG HG2 H 1 1.611 0.020 . 1 . . . . 220 ARG HG2 . 18426 1 1421 . 1 1 131 131 ARG HG3 H 1 1.830 0.020 . 1 . . . . 220 ARG HG3 . 18426 1 1422 . 1 1 131 131 ARG HD2 H 1 3.085 0.020 . 1 . . . . 220 ARG HD2 . 18426 1 1423 . 1 1 131 131 ARG HD3 H 1 2.931 0.020 . 1 . . . . 220 ARG HD3 . 18426 1 1424 . 1 1 131 131 ARG CA C 13 59.257 0.200 . 1 . . . . 220 ARG CA . 18426 1 1425 . 1 1 131 131 ARG CB C 13 30.077 0.200 . 1 . . . . 220 ARG CB . 18426 1 1426 . 1 1 131 131 ARG CG C 13 26.978 0.200 . 1 . . . . 220 ARG CG . 18426 1 1427 . 1 1 131 131 ARG CD C 13 43.929 0.200 . 1 . . . . 220 ARG CD . 18426 1 1428 . 1 1 131 131 ARG N N 15 118.923 0.200 . 1 . . . . 220 ARG N . 18426 1 1429 . 1 1 132 132 GLU H H 1 8.551 0.020 . 1 . . . . 221 GLU H . 18426 1 1430 . 1 1 132 132 GLU HA H 1 4.037 0.020 . 1 . . . . 221 GLU HA . 18426 1 1431 . 1 1 132 132 GLU HB2 H 1 1.687 0.020 . 1 . . . . 221 GLU HB2 . 18426 1 1432 . 1 1 132 132 GLU HB3 H 1 2.004 0.020 . 1 . . . . 221 GLU HB3 . 18426 1 1433 . 1 1 132 132 GLU HG2 H 1 2.210 0.020 . 1 . . . . 221 GLU HG2 . 18426 1 1434 . 1 1 132 132 GLU HG3 H 1 2.519 0.020 . 1 . . . . 221 GLU HG3 . 18426 1 1435 . 1 1 132 132 GLU CA C 13 58.130 0.200 . 1 . . . . 221 GLU CA . 18426 1 1436 . 1 1 132 132 GLU CB C 13 29.162 0.200 . 1 . . . . 221 GLU CB . 18426 1 1437 . 1 1 132 132 GLU CG C 13 36.840 0.200 . 1 . . . . 221 GLU CG . 18426 1 1438 . 1 1 132 132 GLU N N 15 119.785 0.200 . 1 . . . . 221 GLU N . 18426 1 1439 . 1 1 133 133 SER H H 1 8.569 0.020 . 1 . . . . 222 SER H . 18426 1 1440 . 1 1 133 133 SER HA H 1 3.856 0.020 . 1 . . . . 222 SER HA . 18426 1 1441 . 1 1 133 133 SER HB2 H 1 3.349 0.020 . 1 . . . . 222 SER HB2 . 18426 1 1442 . 1 1 133 133 SER HB3 H 1 3.548 0.020 . 1 . . . . 222 SER HB3 . 18426 1 1443 . 1 1 133 133 SER CA C 13 61.588 0.200 . 1 . . . . 222 SER CA . 18426 1 1444 . 1 1 133 133 SER CB C 13 62.236 0.200 . 1 . . . . 222 SER CB . 18426 1 1445 . 1 1 133 133 SER N N 15 116.346 0.200 . 1 . . . . 222 SER N . 18426 1 1446 . 1 1 134 134 GLN H H 1 7.587 0.020 . 1 . . . . 223 GLN H . 18426 1 1447 . 1 1 134 134 GLN HA H 1 4.111 0.020 . 1 . . . . 223 GLN HA . 18426 1 1448 . 1 1 134 134 GLN HB2 H 1 2.052 0.020 . 1 . . . . 223 GLN HB2 . 18426 1 1449 . 1 1 134 134 GLN HB3 H 1 2.119 0.020 . 1 . . . . 223 GLN HB3 . 18426 1 1450 . 1 1 134 134 GLN HG2 H 1 2.514 0.020 . 1 . . . . 223 GLN HG2 . 18426 1 1451 . 1 1 134 134 GLN HG3 H 1 2.399 0.020 . 1 . . . . 223 GLN HG3 . 18426 1 1452 . 1 1 134 134 GLN HE21 H 1 7.505 0.020 . 1 . . . . 223 GLN HE21 . 18426 1 1453 . 1 1 134 134 GLN HE22 H 1 6.809 0.020 . 1 . . . . 223 GLN HE22 . 18426 1 1454 . 1 1 134 134 GLN CA C 13 58.600 0.200 . 1 . . . . 223 GLN CA . 18426 1 1455 . 1 1 134 134 GLN CB C 13 28.135 0.200 . 1 . . . . 223 GLN CB . 18426 1 1456 . 1 1 134 134 GLN CG C 13 33.889 0.200 . 1 . . . . 223 GLN CG . 18426 1 1457 . 1 1 134 134 GLN N N 15 120.502 0.200 . 1 . . . . 223 GLN N . 18426 1 1458 . 1 1 134 134 GLN NE2 N 15 111.832 0.200 . 1 . . . . 223 GLN NE2 . 18426 1 1459 . 1 1 135 135 ALA H H 1 7.502 0.020 . 1 . . . . 224 ALA H . 18426 1 1460 . 1 1 135 135 ALA HA H 1 4.144 0.020 . 1 . . . . 224 ALA HA . 18426 1 1461 . 1 1 135 135 ALA HB1 H 1 1.442 0.020 . 1 . . . . 224 ALA HB . 18426 1 1462 . 1 1 135 135 ALA HB2 H 1 1.442 0.020 . 1 . . . . 224 ALA HB . 18426 1 1463 . 1 1 135 135 ALA HB3 H 1 1.442 0.020 . 1 . . . . 224 ALA HB . 18426 1 1464 . 1 1 135 135 ALA CA C 13 54.395 0.200 . 1 . . . . 224 ALA CA . 18426 1 1465 . 1 1 135 135 ALA CB C 13 18.265 0.200 . 1 . . . . 224 ALA CB . 18426 1 1466 . 1 1 135 135 ALA N N 15 120.859 0.200 . 1 . . . . 224 ALA N . 18426 1 1467 . 1 1 136 136 TYR H H 1 8.226 0.020 . 1 . . . . 225 TYR H . 18426 1 1468 . 1 1 136 136 TYR HA H 1 4.072 0.020 . 1 . . . . 225 TYR HA . 18426 1 1469 . 1 1 136 136 TYR HB2 H 1 3.052 0.020 . 1 . . . . 225 TYR HB2 . 18426 1 1470 . 1 1 136 136 TYR HB3 H 1 2.821 0.020 . 1 . . . . 225 TYR HB3 . 18426 1 1471 . 1 1 136 136 TYR HD1 H 1 6.628 0.020 . 3 . . . . 225 TYR HD1 . 18426 1 1472 . 1 1 136 136 TYR HD2 H 1 6.628 0.020 . 3 . . . . 225 TYR HD2 . 18426 1 1473 . 1 1 136 136 TYR HE1 H 1 6.819 0.020 . 3 . . . . 225 TYR HE1 . 18426 1 1474 . 1 1 136 136 TYR HE2 H 1 6.819 0.020 . 3 . . . . 225 TYR HE2 . 18426 1 1475 . 1 1 136 136 TYR CA C 13 60.966 0.200 . 1 . . . . 225 TYR CA . 18426 1 1476 . 1 1 136 136 TYR CB C 13 38.974 0.200 . 1 . . . . 225 TYR CB . 18426 1 1477 . 1 1 136 136 TYR CD1 C 13 133.185 0.200 . 3 . . . . 225 TYR CD1 . 18426 1 1478 . 1 1 136 136 TYR CD2 C 13 133.185 0.200 . 3 . . . . 225 TYR CD2 . 18426 1 1479 . 1 1 136 136 TYR CE1 C 13 118.033 0.200 . 3 . . . . 225 TYR CE1 . 18426 1 1480 . 1 1 136 136 TYR CE2 C 13 118.033 0.200 . 3 . . . . 225 TYR CE2 . 18426 1 1481 . 1 1 136 136 TYR N N 15 119.914 0.200 . 1 . . . . 225 TYR N . 18426 1 1482 . 1 1 137 137 TYR H H 1 8.055 0.020 . 1 . . . . 226 TYR H . 18426 1 1483 . 1 1 137 137 TYR HA H 1 4.298 0.020 . 1 . . . . 226 TYR HA . 18426 1 1484 . 1 1 137 137 TYR HB2 H 1 2.945 0.020 . 1 . . . . 226 TYR HB2 . 18426 1 1485 . 1 1 137 137 TYR HB3 H 1 3.166 0.020 . 1 . . . . 226 TYR HB3 . 18426 1 1486 . 1 1 137 137 TYR HD1 H 1 7.185 0.020 . 3 . . . . 226 TYR HD1 . 18426 1 1487 . 1 1 137 137 TYR HD2 H 1 7.185 0.020 . 3 . . . . 226 TYR HD2 . 18426 1 1488 . 1 1 137 137 TYR HE1 H 1 6.982 0.020 . 3 . . . . 226 TYR HE1 . 18426 1 1489 . 1 1 137 137 TYR HE2 H 1 6.980 0.020 . 3 . . . . 226 TYR HE2 . 18426 1 1490 . 1 1 137 137 TYR CA C 13 59.663 0.200 . 1 . . . . 226 TYR CA . 18426 1 1491 . 1 1 137 137 TYR CB C 13 37.765 0.200 . 1 . . . . 226 TYR CB . 18426 1 1492 . 1 1 137 137 TYR CD1 C 13 133.281 0.200 . 3 . . . . 226 TYR CD1 . 18426 1 1493 . 1 1 137 137 TYR CD2 C 13 133.281 0.200 . 3 . . . . 226 TYR CD2 . 18426 1 1494 . 1 1 137 137 TYR CE1 C 13 118.033 0.200 . 3 . . . . 226 TYR CE1 . 18426 1 1495 . 1 1 137 137 TYR CE2 C 13 118.044 0.200 . 3 . . . . 226 TYR CE2 . 18426 1 1496 . 1 1 137 137 TYR N N 15 117.922 0.200 . 1 . . . . 226 TYR N . 18426 1 1497 . 1 1 138 138 GLN H H 1 7.840 0.020 . 1 . . . . 227 GLN H . 18426 1 1498 . 1 1 138 138 GLN HA H 1 4.173 0.020 . 1 . . . . 227 GLN HA . 18426 1 1499 . 1 1 138 138 GLN HB2 H 1 2.153 0.020 . 1 . . . . 227 GLN HB2 . 18426 1 1500 . 1 1 138 138 GLN HB3 H 1 2.104 0.020 . 1 . . . . 227 GLN HB3 . 18426 1 1501 . 1 1 138 138 GLN HG2 H 1 2.400 0.020 . 1 . . . . 227 GLN HG2 . 18426 1 1502 . 1 1 138 138 GLN HG3 H 1 2.445 0.020 . 1 . . . . 227 GLN HG3 . 18426 1 1503 . 1 1 138 138 GLN HE21 H 1 7.500 0.020 . 1 . . . . 227 GLN HE21 . 18426 1 1504 . 1 1 138 138 GLN HE22 H 1 6.808 0.020 . 1 . . . . 227 GLN HE22 . 18426 1 1505 . 1 1 138 138 GLN CA C 13 56.910 0.200 . 1 . . . . 227 GLN CA . 18426 1 1506 . 1 1 138 138 GLN CB C 13 28.724 0.200 . 1 . . . . 227 GLN CB . 18426 1 1507 . 1 1 138 138 GLN CG C 13 33.746 0.200 . 1 . . . . 227 GLN CG . 18426 1 1508 . 1 1 138 138 GLN N N 15 118.782 0.200 . 1 . . . . 227 GLN N . 18426 1 1509 . 1 1 138 138 GLN NE2 N 15 111.785 0.200 . 1 . . . . 227 GLN NE2 . 18426 1 1510 . 1 1 139 139 ARG H H 1 7.888 0.020 . 1 . . . . 228 ARG H . 18426 1 1511 . 1 1 139 139 ARG HA H 1 4.201 0.020 . 1 . . . . 228 ARG HA . 18426 1 1512 . 1 1 139 139 ARG HB2 H 1 1.827 0.020 . 1 . . . . 228 ARG HB2 . 18426 1 1513 . 1 1 139 139 ARG HB3 H 1 1.799 0.020 . 1 . . . . 228 ARG HB3 . 18426 1 1514 . 1 1 139 139 ARG HG2 H 1 1.711 0.020 . 1 . . . . 228 ARG HG2 . 18426 1 1515 . 1 1 139 139 ARG HG3 H 1 1.584 0.020 . 1 . . . . 228 ARG HG3 . 18426 1 1516 . 1 1 139 139 ARG HD2 H 1 3.103 0.020 . 1 . . . . 228 ARG HD2 . 18426 1 1517 . 1 1 139 139 ARG HD3 H 1 3.183 0.020 . 1 . . . . 228 ARG HD3 . 18426 1 1518 . 1 1 139 139 ARG CA C 13 57.304 0.200 . 1 . . . . 228 ARG CA . 18426 1 1519 . 1 1 139 139 ARG CB C 13 30.418 0.200 . 1 . . . . 228 ARG CB . 18426 1 1520 . 1 1 139 139 ARG CG C 13 27.447 0.200 . 1 . . . . 228 ARG CG . 18426 1 1521 . 1 1 139 139 ARG CD C 13 43.473 0.200 . 1 . . . . 228 ARG CD . 18426 1 1522 . 1 1 139 139 ARG N N 15 119.812 0.200 . 1 . . . . 228 ARG N . 18426 1 1523 . 1 1 140 140 GLY H H 1 8.111 0.020 . 1 . . . . 229 GLY H . 18426 1 1524 . 1 1 140 140 GLY HA2 H 1 3.841 0.020 . 1 . . . . 229 GLY HA2 . 18426 1 1525 . 1 1 140 140 GLY HA3 H 1 3.860 0.020 . 1 . . . . 229 GLY HA3 . 18426 1 1526 . 1 1 140 140 GLY CA C 13 45.518 0.200 . 1 . . . . 229 GLY CA . 18426 1 1527 . 1 1 140 140 GLY N N 15 108.706 0.200 . 1 . . . . 229 GLY N . 18426 1 1528 . 1 1 141 141 SER H H 1 8.046 0.020 . 1 . . . . 230 SER H . 18426 1 1529 . 1 1 141 141 SER HA H 1 4.312 0.020 . 1 . . . . 230 SER HA . 18426 1 1530 . 1 1 141 141 SER HB2 H 1 3.837 0.020 . 2 . . . . 230 SER HB2 . 18426 1 1531 . 1 1 141 141 SER HB3 H 1 3.837 0.020 . 2 . . . . 230 SER HB3 . 18426 1 1532 . 1 1 141 141 SER CA C 13 58.625 0.200 . 1 . . . . 230 SER CA . 18426 1 1533 . 1 1 141 141 SER CB C 13 63.605 0.200 . 1 . . . . 230 SER CB . 18426 1 1534 . 1 1 141 141 SER N N 15 115.146 0.200 . 1 . . . . 230 SER N . 18426 1 1535 . 1 1 142 142 SER H H 1 8.230 0.020 . 1 . . . . 231 SER H . 18426 1 1536 . 1 1 142 142 SER HA H 1 4.357 0.020 . 1 . . . . 231 SER HA . 18426 1 1537 . 1 1 142 142 SER HB2 H 1 3.787 0.020 . 2 . . . . 231 SER HB2 . 18426 1 1538 . 1 1 142 142 SER HB3 H 1 3.787 0.020 . 2 . . . . 231 SER HB3 . 18426 1 1539 . 1 1 142 142 SER CA C 13 58.422 0.200 . 1 . . . . 231 SER CA . 18426 1 1540 . 1 1 142 142 SER CB C 13 63.501 0.200 . 1 . . . . 231 SER CB . 18426 1 1541 . 1 1 142 142 SER N N 15 117.109 0.200 . 1 . . . . 231 SER N . 18426 1 stop_ save_