data_15676 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15676 _Entry.Title ; NMR Studies of a Pathogenic Mutant (D178N) of the Human Prion Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-29 _Entry.Accession_date 2008-02-29 _Entry.Last_release_date 2009-11-30 _Entry.Original_release_date 2009-11-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.78 _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 Jeffrey Mills J. L. . 15676 2 Krystyna Surewicz K. . . 15676 3 Witold Surewicz W. K. . 15676 4 Frank Sonnichsen F. D. . 15676 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 . 'not applicable' 'not applicable' . 15676 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID D178N . 15676 'disease mutation' . 15676 FFI . 15676 GSS . 15676 'M/V 129 polymorphism' . 15676 'prion protein' . 15676 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15676 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 301 15676 '15N chemical shifts' 117 15676 '1H chemical shifts' 635 15676 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-11-30 2008-02-29 original author . 15676 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1FO7 'E200K variant of the human prion protein' 15676 PDB 1QM1 'wild type human prion protein' 15676 PDB 2K1D 'BMRB Entry Tracking System' 15676 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15676 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title Null _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . 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 Jeffrey Mills N. L. . 15676 1 2 Krystyna Surewicz . . . 15676 1 3 Witold Surewicz . K. . 15676 1 4 Frank Sonnichsen . D. . 15676 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID D178N 15676 1 'disease mutation' 15676 1 FFI 15676 1 GSS 15676 1 'M/V 129 polymorphism' 15676 1 'prion protein' 15676 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15676 _Assembly.ID 1 _Assembly.Name '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 monomer 1 $V129_D178N_prion_protein A . yes native no no . . . 15676 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 disulphide 1 . 1 monomer 1 CYS 94 94 SG . 1 monomer 1 CYS 129 129 SG . monomer 94 cys SG . monomer 129 cys SG 15676 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_V129_D178N_prion_protein _Entity.Sf_category entity _Entity.Sf_framecode V129_D178N_prion_protein _Entity.Entry_ID 15676 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name V129/D178N_prion_protein _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 ; GSDPGQGGGTHSQWNKPSKP KTNMKHMAGAAAAGAVVGGL GGYVLGSAMSRPIIHFGSDY EDRYYRENMHRYPNQVYYRP MDEYSNQNNFVHNCVNITIK QHTVTTTTKGENFTETDVKM MERVVEQMCITQYERESQAY YQRGSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '86, G' _Entity.Polymer_author_seq_details 'Expressed protein contained residues 90-231 (plus GSDP cloning artifact), but only residues 125-231 are deposited' _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 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'C-terminal domain of the human prion protein' _Entity.Mutation V129/D178N _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16471.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 16743 . "HuPrP(90-231 M129 Q212P)" . . . . . 97.26 148 97.89 99.30 7.26e-99 . . . . 15676 1 2 no BMRB 16757 . PrP^(91-231) . . . . . 99.32 145 99.31 100.00 1.58e-103 . . . . 15676 1 3 no BMRB 17714 . HuPrP . . . . . 98.63 147 97.92 100.00 4.03e-102 . . . . 15676 1 4 no BMRB 17756 . hPrP(121-230) . . . . . 75.34 113 98.18 100.00 4.99e-74 . . . . 15676 1 5 no BMRB 17780 . Hpp_E219K . . . . . 97.26 142 97.89 100.00 9.79e-100 . . . . 15676 1 6 no BMRB 18426 . entity . . . . . 97.26 142 98.59 100.00 2.67e-100 . . . . 15676 1 7 no BMRB 18550 . V210I . . . . . 98.63 147 97.92 100.00 4.03e-102 . . . . 15676 1 8 no BMRB 19268 . MAJOR_PRION_PROTEIN . . . . . 100.00 146 97.95 100.00 3.97e-103 . . . . 15676 1 9 no BMRB 4379 . "human prion protein" . . . . . 76.71 112 97.32 100.00 3.10e-75 . . . . 15676 1 10 no BMRB 4434 . "human prion protein" . . . . . 96.58 143 98.58 100.00 1.45e-99 . . . . 15676 1 11 no BMRB 4641 . "PRION PROTEIN" . . . . . 100.00 146 97.95 100.00 4.29e-103 . . . . 15676 1 12 no PDB 1E1G . "Human Prion Protein Variant M166v" . . . . . 70.55 104 97.09 100.00 2.59e-68 . . . . 15676 1 13 no PDB 1E1J . "Human Prion Protein Variant M166v" . . . . . 70.55 104 97.09 100.00 2.59e-68 . . . . 15676 1 14 no PDB 1E1P . "Human Prion Protein Variant S170n" . . . . . 70.55 104 97.09 100.00 2.86e-68 . . . . 15676 1 15 no PDB 1E1S . "Human Prion Protein Variant S170n" . . . . . 70.55 104 97.09 100.00 2.86e-68 . . . . 15676 1 16 no PDB 1E1U . "Human Prion Protein Variant R220k" . . . . . 70.55 104 97.09 100.00 1.73e-68 . . . . 15676 1 17 no PDB 1E1W . "Human Prion Protein Variant R220k" . . . . . 70.55 104 97.09 100.00 1.73e-68 . . . . 15676 1 18 no PDB 1FKC . "Human Prion Protein (Mutant E200k) Fragment 90-231" . . . . . 97.26 142 97.89 100.00 9.79e-100 . . . . 15676 1 19 no PDB 1FO7 . "Human Prion Protein Mutant E200k Fragment 90-231" . . . . . 97.26 142 97.89 100.00 9.79e-100 . . . . 15676 1 20 no PDB 1HJM . "Human Prion Protein At Ph 7.0" . . . . . 70.55 104 98.06 100.00 5.95e-69 . . . . 15676 1 21 no PDB 1HJN . "Human Prion Protein At Ph 7.0" . . . . . 70.55 104 98.06 100.00 5.95e-69 . . . . 15676 1 22 no PDB 1I4M . "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" . . . . . 73.97 108 98.15 100.00 1.06e-72 . . . . 15676 1 23 no PDB 1QM0 . "Human Prion Protein Fragment 90-230" . . . . . 96.58 143 98.58 100.00 1.45e-99 . . . . 15676 1 24 no PDB 1QM1 . "Human Prion Protein Fragment 90-230" . . . . . 96.58 143 98.58 100.00 1.45e-99 . . . . 15676 1 25 no PDB 1QM2 . "Human Prion Protein Fragment 121-230" . . . . . 76.71 112 97.32 100.00 3.10e-75 . . . . 15676 1 26 no PDB 1QM3 . "Human Prion Protein Fragment 121-230" . . . . . 76.71 112 97.32 100.00 3.10e-75 . . . . 15676 1 27 no PDB 2K1D . "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" . . . . . 100.00 146 100.00 100.00 8.95e-105 . . . . 15676 1 28 no PDB 2KUN . "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" . . . . . 97.26 148 97.89 99.30 7.26e-99 . . . . 15676 1 29 no PDB 2LEJ . "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" . . . . . 98.63 147 97.92 100.00 4.03e-102 . . . . 15676 1 30 no PDB 2LFT . "Human Prion Protein With E219k Protective Polymorphism" . . . . . 97.26 142 97.89 100.00 9.79e-100 . . . . 15676 1 31 no PDB 2LSB . "Solution-State Nmr Structure Of The Human Prion Protein" . . . . . 97.26 142 98.59 100.00 2.67e-100 . . . . 15676 1 32 no PDB 2LV1 . "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" . . . . . 98.63 147 97.92 100.00 4.03e-102 . . . . 15676 1 33 no PDB 2M8T . "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" . . . . . 100.00 146 97.95 100.00 3.97e-103 . . . . 15676 1 34 no PDB 2W9E . "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" . . . . . 77.40 113 98.23 100.00 2.03e-76 . . . . 15676 1 35 no PDB 3HAF . "Human Prion Protein Variant V129 Domain Swapped Dimer" . . . . . 97.26 142 99.30 100.00 7.68e-101 . . . . 15676 1 36 no PDB 3HAK . "Human Prion Protein Variant V129" . . . . . 70.55 103 99.03 100.00 1.20e-69 . . . . 15676 1 37 no PDB 3HEQ . "Human Prion Protein Variant D178n With M129" . . . . . 97.26 142 99.30 100.00 6.17e-101 . . . . 15676 1 38 no PDB 3HER . "Human Prion Protein Variant F198s With V129" . . . . . 97.26 142 98.59 99.30 1.23e-99 . . . . 15676 1 39 no PDB 3HES . "Human Prion Protein Variant F198s With M129" . . . . . 97.26 142 97.89 99.30 5.38e-99 . . . . 15676 1 40 no PDB 3HJ5 . "Human Prion Protein Variant V129 Domain Swapped Dimer" . . . . . 97.26 142 99.30 100.00 7.68e-101 . . . . 15676 1 41 no PDB 3HJX . "Human Prion Protein Variant D178n With V129" . . . . . 72.60 106 100.00 100.00 2.82e-72 . . . . 15676 1 42 no PDB 4DGI . "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" . . . . . 76.03 111 98.20 100.00 5.59e-75 . . . . 15676 1 43 no PDB 4N9O . "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" . . . . . 97.26 142 98.59 100.00 2.67e-100 . . . . 15676 1 44 no DBJ BAF62360 . "prion protein, transcript variant 2 [Pan troglodytes verus]" . . . . . 93.84 253 97.08 100.00 4.83e-80 . . . . 15676 1 45 no DBJ BAG32277 . "prion [Homo sapiens]" . . . . . 100.00 253 97.26 97.95 1.26e-98 . . . . 15676 1 46 no DBJ BAG32279 . "alternatively spliced variant form of prion [Homo sapiens]" . . . . . 90.41 230 96.97 97.73 3.23e-88 . . . . 15676 1 47 no DBJ BAG35206 . "unnamed protein product [Homo sapiens]" . . . . . 93.84 253 97.81 99.27 5.81e-80 . . . . 15676 1 48 no DBJ BAG52189 . "unnamed protein product [Homo sapiens]" . . . . . 79.45 163 97.41 99.14 1.62e-78 . . . . 15676 1 49 no EMBL CAG46869 . "PRNP [Homo sapiens]" . . . . . 100.00 253 97.26 97.95 1.26e-98 . . . . 15676 1 50 no GB AAA68632 . "major prion protein precursor [Pan troglodytes]" . . . . . 93.84 253 97.08 100.00 4.83e-80 . . . . 15676 1 51 no GB AAA68633 . "major prion protein precursor [Gorilla gorilla]" . . . . . 93.84 253 97.81 100.00 1.04e-80 . . . . 15676 1 52 no GB AAC50085 . "prion protein [Pan troglodytes]" . . . . . 93.84 253 97.08 100.00 4.83e-80 . . . . 15676 1 53 no GB AAC50088 . "prion protein [Hylobates lar]" . . . . . 93.84 253 97.08 100.00 4.83e-80 . . . . 15676 1 54 no GB AAC50089 . "prion protein [Gorilla gorilla]" . . . . . 93.84 253 97.81 100.00 1.13e-80 . . . . 15676 1 55 no REF NP_001009093 . "major prion protein preproprotein [Pan troglodytes]" . . . . . 93.84 253 97.08 100.00 4.83e-80 . . . . 15676 1 56 no REF NP_001103676 . "major prion protein preproprotein [Pan troglodytes]" . . . . . 93.84 253 97.08 100.00 4.83e-80 . . . . 15676 1 57 no REF XP_003278028 . "PREDICTED: major prion protein isoform X1 [Nomascus leucogenys]" . . . . . 93.84 253 97.08 100.00 4.83e-80 . . . . 15676 1 58 no REF XP_003278029 . "PREDICTED: major prion protein isoform X1 [Nomascus leucogenys]" . . . . . 93.84 253 97.08 100.00 4.83e-80 . . . . 15676 1 59 no REF XP_003278030 . "PREDICTED: major prion protein isoform X1 [Nomascus leucogenys]" . . . . . 93.84 253 97.08 100.00 4.83e-80 . . . . 15676 1 60 no SP P40252 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 93.84 253 97.81 100.00 1.13e-80 . . . . 15676 1 61 no SP P61766 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 93.84 253 97.08 100.00 4.83e-80 . . . . 15676 1 62 no SP P61767 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 93.84 253 97.08 100.00 4.83e-80 . . . . 15676 1 63 no SP P61768 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 93.84 253 97.08 100.00 4.83e-80 . . . . 15676 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 86 GLY . 15676 1 2 87 SER . 15676 1 3 88 ASP . 15676 1 4 89 PRO . 15676 1 5 90 GLY . 15676 1 6 91 GLN . 15676 1 7 92 GLY . 15676 1 8 93 GLY . 15676 1 9 94 GLY . 15676 1 10 95 THR . 15676 1 11 96 HIS . 15676 1 12 97 SER . 15676 1 13 98 GLN . 15676 1 14 99 TRP . 15676 1 15 100 ASN . 15676 1 16 101 LYS . 15676 1 17 102 PRO . 15676 1 18 103 SER . 15676 1 19 104 LYS . 15676 1 20 105 PRO . 15676 1 21 106 LYS . 15676 1 22 107 THR . 15676 1 23 108 ASN . 15676 1 24 109 MET . 15676 1 25 110 LYS . 15676 1 26 111 HIS . 15676 1 27 112 MET . 15676 1 28 113 ALA . 15676 1 29 114 GLY . 15676 1 30 115 ALA . 15676 1 31 116 ALA . 15676 1 32 117 ALA . 15676 1 33 118 ALA . 15676 1 34 119 GLY . 15676 1 35 120 ALA . 15676 1 36 121 VAL . 15676 1 37 122 VAL . 15676 1 38 123 GLY . 15676 1 39 124 GLY . 15676 1 40 125 LEU . 15676 1 41 126 GLY . 15676 1 42 127 GLY . 15676 1 43 128 TYR . 15676 1 44 129 VAL . 15676 1 45 130 LEU . 15676 1 46 131 GLY . 15676 1 47 132 SER . 15676 1 48 133 ALA . 15676 1 49 134 MET . 15676 1 50 135 SER . 15676 1 51 136 ARG . 15676 1 52 137 PRO . 15676 1 53 138 ILE . 15676 1 54 139 ILE . 15676 1 55 140 HIS . 15676 1 56 141 PHE . 15676 1 57 142 GLY . 15676 1 58 143 SER . 15676 1 59 144 ASP . 15676 1 60 145 TYR . 15676 1 61 146 GLU . 15676 1 62 147 ASP . 15676 1 63 148 ARG . 15676 1 64 149 TYR . 15676 1 65 150 TYR . 15676 1 66 151 ARG . 15676 1 67 152 GLU . 15676 1 68 153 ASN . 15676 1 69 154 MET . 15676 1 70 155 HIS . 15676 1 71 156 ARG . 15676 1 72 157 TYR . 15676 1 73 158 PRO . 15676 1 74 159 ASN . 15676 1 75 160 GLN . 15676 1 76 161 VAL . 15676 1 77 162 TYR . 15676 1 78 163 TYR . 15676 1 79 164 ARG . 15676 1 80 165 PRO . 15676 1 81 166 MET . 15676 1 82 167 ASP . 15676 1 83 168 GLU . 15676 1 84 169 TYR . 15676 1 85 170 SER . 15676 1 86 171 ASN . 15676 1 87 172 GLN . 15676 1 88 173 ASN . 15676 1 89 174 ASN . 15676 1 90 175 PHE . 15676 1 91 176 VAL . 15676 1 92 177 HIS . 15676 1 93 178 ASN . 15676 1 94 179 CYS . 15676 1 95 180 VAL . 15676 1 96 181 ASN . 15676 1 97 182 ILE . 15676 1 98 183 THR . 15676 1 99 184 ILE . 15676 1 100 185 LYS . 15676 1 101 186 GLN . 15676 1 102 187 HIS . 15676 1 103 188 THR . 15676 1 104 189 VAL . 15676 1 105 190 THR . 15676 1 106 191 THR . 15676 1 107 192 THR . 15676 1 108 193 THR . 15676 1 109 194 LYS . 15676 1 110 195 GLY . 15676 1 111 196 GLU . 15676 1 112 197 ASN . 15676 1 113 198 PHE . 15676 1 114 199 THR . 15676 1 115 200 GLU . 15676 1 116 201 THR . 15676 1 117 202 ASP . 15676 1 118 203 VAL . 15676 1 119 204 LYS . 15676 1 120 205 MET . 15676 1 121 206 MET . 15676 1 122 207 GLU . 15676 1 123 208 ARG . 15676 1 124 209 VAL . 15676 1 125 210 VAL . 15676 1 126 211 GLU . 15676 1 127 212 GLN . 15676 1 128 213 MET . 15676 1 129 214 CYS . 15676 1 130 215 ILE . 15676 1 131 216 THR . 15676 1 132 217 GLN . 15676 1 133 218 TYR . 15676 1 134 219 GLU . 15676 1 135 220 ARG . 15676 1 136 221 GLU . 15676 1 137 222 SER . 15676 1 138 223 GLN . 15676 1 139 224 ALA . 15676 1 140 225 TYR . 15676 1 141 226 TYR . 15676 1 142 227 GLN . 15676 1 143 228 ARG . 15676 1 144 229 GLY . 15676 1 145 230 SER . 15676 1 146 231 SER . 15676 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 15676 1 . SER 2 2 15676 1 . ASP 3 3 15676 1 . PRO 4 4 15676 1 . GLY 5 5 15676 1 . GLN 6 6 15676 1 . GLY 7 7 15676 1 . GLY 8 8 15676 1 . GLY 9 9 15676 1 . THR 10 10 15676 1 . HIS 11 11 15676 1 . SER 12 12 15676 1 . GLN 13 13 15676 1 . TRP 14 14 15676 1 . ASN 15 15 15676 1 . LYS 16 16 15676 1 . PRO 17 17 15676 1 . SER 18 18 15676 1 . LYS 19 19 15676 1 . PRO 20 20 15676 1 . LYS 21 21 15676 1 . THR 22 22 15676 1 . ASN 23 23 15676 1 . MET 24 24 15676 1 . LYS 25 25 15676 1 . HIS 26 26 15676 1 . MET 27 27 15676 1 . ALA 28 28 15676 1 . GLY 29 29 15676 1 . ALA 30 30 15676 1 . ALA 31 31 15676 1 . ALA 32 32 15676 1 . ALA 33 33 15676 1 . GLY 34 34 15676 1 . ALA 35 35 15676 1 . VAL 36 36 15676 1 . VAL 37 37 15676 1 . GLY 38 38 15676 1 . GLY 39 39 15676 1 . LEU 40 40 15676 1 . GLY 41 41 15676 1 . GLY 42 42 15676 1 . TYR 43 43 15676 1 . VAL 44 44 15676 1 . LEU 45 45 15676 1 . GLY 46 46 15676 1 . SER 47 47 15676 1 . ALA 48 48 15676 1 . MET 49 49 15676 1 . SER 50 50 15676 1 . ARG 51 51 15676 1 . PRO 52 52 15676 1 . ILE 53 53 15676 1 . ILE 54 54 15676 1 . HIS 55 55 15676 1 . PHE 56 56 15676 1 . GLY 57 57 15676 1 . SER 58 58 15676 1 . ASP 59 59 15676 1 . TYR 60 60 15676 1 . GLU 61 61 15676 1 . ASP 62 62 15676 1 . ARG 63 63 15676 1 . TYR 64 64 15676 1 . TYR 65 65 15676 1 . ARG 66 66 15676 1 . GLU 67 67 15676 1 . ASN 68 68 15676 1 . MET 69 69 15676 1 . HIS 70 70 15676 1 . ARG 71 71 15676 1 . TYR 72 72 15676 1 . PRO 73 73 15676 1 . ASN 74 74 15676 1 . GLN 75 75 15676 1 . VAL 76 76 15676 1 . TYR 77 77 15676 1 . TYR 78 78 15676 1 . ARG 79 79 15676 1 . PRO 80 80 15676 1 . MET 81 81 15676 1 . ASP 82 82 15676 1 . GLU 83 83 15676 1 . TYR 84 84 15676 1 . SER 85 85 15676 1 . ASN 86 86 15676 1 . GLN 87 87 15676 1 . ASN 88 88 15676 1 . ASN 89 89 15676 1 . PHE 90 90 15676 1 . VAL 91 91 15676 1 . HIS 92 92 15676 1 . ASN 93 93 15676 1 . CYS 94 94 15676 1 . VAL 95 95 15676 1 . ASN 96 96 15676 1 . ILE 97 97 15676 1 . THR 98 98 15676 1 . ILE 99 99 15676 1 . LYS 100 100 15676 1 . GLN 101 101 15676 1 . HIS 102 102 15676 1 . THR 103 103 15676 1 . VAL 104 104 15676 1 . THR 105 105 15676 1 . THR 106 106 15676 1 . THR 107 107 15676 1 . THR 108 108 15676 1 . LYS 109 109 15676 1 . GLY 110 110 15676 1 . GLU 111 111 15676 1 . ASN 112 112 15676 1 . PHE 113 113 15676 1 . THR 114 114 15676 1 . GLU 115 115 15676 1 . THR 116 116 15676 1 . ASP 117 117 15676 1 . VAL 118 118 15676 1 . LYS 119 119 15676 1 . MET 120 120 15676 1 . MET 121 121 15676 1 . GLU 122 122 15676 1 . ARG 123 123 15676 1 . VAL 124 124 15676 1 . VAL 125 125 15676 1 . GLU 126 126 15676 1 . GLN 127 127 15676 1 . MET 128 128 15676 1 . CYS 129 129 15676 1 . ILE 130 130 15676 1 . THR 131 131 15676 1 . GLN 132 132 15676 1 . TYR 133 133 15676 1 . GLU 134 134 15676 1 . ARG 135 135 15676 1 . GLU 136 136 15676 1 . SER 137 137 15676 1 . GLN 138 138 15676 1 . ALA 139 139 15676 1 . TYR 140 140 15676 1 . TYR 141 141 15676 1 . GLN 142 142 15676 1 . ARG 143 143 15676 1 . GLY 144 144 15676 1 . SER 145 145 15676 1 . SER 146 146 15676 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 15676 _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 $V129_D178N_prion_protein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15676 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 15676 _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 $V129_D178N_prion_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pRSETB . . . . . . 15676 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15676 _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 'V129/D178N prion protein' '[U-99% 13C; U-99% 15N]' . . 1 $V129_D178N_prion_protein . . 350 . . uM . . . . 15676 1 2 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 15676 1 3 'sodium azide' 'natural abundance' . . . . . . 100 . . uM . . . . 15676 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15676 _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' 20 . mM 15676 1 pH 4.6 . pH 15676 1 pressure 1 . atm 15676 1 temperature 299 . K 15676 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15676 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15676 1 'Herrmann, Guntert and Wuthrich' . . 15676 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15676 1 'structure solution' 15676 1 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 15676 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 15676 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 BRUKER Avance . 600 . . . 15676 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 15676 _Experiment_list.ID 1 _Experiment_list.Details 'THE STRUCTURE WAS DETERMINED USING STANDARD TRIPLE RESONANCE EXPERIMENTS RECORDED WITH 13C, 15N LABELED PROTEIN' 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 . . . . . . . . . . . . . . . . 15676 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15676 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15676 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15676 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15676 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15676 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15676 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15676 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 15676 _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 . indirect 0.251449530 . . . . . . . . . 15676 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15676 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15676 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 15676 _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' . . . 15676 1 2 '2D 1H-13C HSQC' . . . 15676 1 7 '3D 1H-15N NOESY' . . . 15676 1 8 '3D 1H-13C NOESY' . . . 15676 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 40 40 LEU H H 1 8.263 0.020 . 1 . . . . 125 LEU H . 15676 1 2 . 1 1 40 40 LEU HA H 1 4.361 0.020 . 1 . . . . 125 LEU HA . 15676 1 3 . 1 1 40 40 LEU HB2 H 1 1.630 0.020 . 2 . . . . 125 LEU HB2 . 15676 1 4 . 1 1 40 40 LEU HB3 H 1 1.575 0.020 . 2 . . . . 125 LEU HB3 . 15676 1 5 . 1 1 40 40 LEU HD11 H 1 0.719 0.020 . 2 . . . . 125 LEU HD1 . 15676 1 6 . 1 1 40 40 LEU HD12 H 1 0.719 0.020 . 2 . . . . 125 LEU HD1 . 15676 1 7 . 1 1 40 40 LEU HD13 H 1 0.719 0.020 . 2 . . . . 125 LEU HD1 . 15676 1 8 . 1 1 40 40 LEU HD21 H 1 0.599 0.020 . 2 . . . . 125 LEU HD2 . 15676 1 9 . 1 1 40 40 LEU HD22 H 1 0.599 0.020 . 2 . . . . 125 LEU HD2 . 15676 1 10 . 1 1 40 40 LEU HD23 H 1 0.599 0.020 . 2 . . . . 125 LEU HD2 . 15676 1 11 . 1 1 40 40 LEU CA C 13 54.900 0.400 . 1 . . . . 125 LEU CA . 15676 1 12 . 1 1 40 40 LEU CB C 13 42.394 0.400 . 1 . . . . 125 LEU CB . 15676 1 13 . 1 1 40 40 LEU CD1 C 13 24.752 0.400 . 1 . . . . 125 LEU CD1 . 15676 1 14 . 1 1 40 40 LEU CD2 C 13 23.261 0.400 . 1 . . . . 125 LEU CD2 . 15676 1 15 . 1 1 40 40 LEU N N 15 121.748 0.400 . 1 . . . . 125 LEU N . 15676 1 16 . 1 1 41 41 GLY H H 1 8.484 0.020 . 1 . . . . 126 GLY H . 15676 1 17 . 1 1 41 41 GLY HA2 H 1 3.861 0.020 . 2 . . . . 126 GLY HA2 . 15676 1 18 . 1 1 41 41 GLY HA3 H 1 3.920 0.020 . 2 . . . . 126 GLY HA3 . 15676 1 19 . 1 1 41 41 GLY CA C 13 46.260 0.400 . 1 . . . . 126 GLY CA . 15676 1 20 . 1 1 41 41 GLY N N 15 109.470 0.400 . 1 . . . . 126 GLY N . 15676 1 21 . 1 1 42 42 GLY H H 1 8.326 0.020 . 1 . . . . 127 GLY H . 15676 1 22 . 1 1 42 42 GLY HA2 H 1 3.749 0.020 . 2 . . . . 127 GLY HA2 . 15676 1 23 . 1 1 42 42 GLY HA3 H 1 3.900 0.020 . 2 . . . . 127 GLY HA3 . 15676 1 24 . 1 1 42 42 GLY CA C 13 45.226 0.400 . 1 . . . . 127 GLY CA . 15676 1 25 . 1 1 42 42 GLY N N 15 109.020 0.400 . 1 . . . . 127 GLY N . 15676 1 26 . 1 1 43 43 TYR H H 1 7.692 0.020 . 1 . . . . 128 TYR H . 15676 1 27 . 1 1 43 43 TYR HA H 1 4.675 0.020 . 1 . . . . 128 TYR HA . 15676 1 28 . 1 1 43 43 TYR HB2 H 1 2.890 0.020 . 2 . . . . 128 TYR HB2 . 15676 1 29 . 1 1 43 43 TYR HB3 H 1 2.890 0.020 . 2 . . . . 128 TYR HB3 . 15676 1 30 . 1 1 43 43 TYR HD1 H 1 6.770 0.020 . 1 . . . . 128 TYR HD1 . 15676 1 31 . 1 1 43 43 TYR HD2 H 1 6.770 0.020 . 1 . . . . 128 TYR HD2 . 15676 1 32 . 1 1 43 43 TYR HE1 H 1 6.613 0.020 . 1 . . . . 128 TYR HE1 . 15676 1 33 . 1 1 43 43 TYR HE2 H 1 6.613 0.020 . 1 . . . . 128 TYR HE2 . 15676 1 34 . 1 1 43 43 TYR CA C 13 57.271 0.400 . 1 . . . . 128 TYR CA . 15676 1 35 . 1 1 43 43 TYR CB C 13 40.257 0.400 . 1 . . . . 128 TYR CB . 15676 1 36 . 1 1 43 43 TYR CD1 C 13 133.012 0.400 . 1 . . . . 128 TYR CD1 . 15676 1 37 . 1 1 43 43 TYR CE1 C 13 118.135 0.400 . 1 . . . . 128 TYR CE1 . 15676 1 38 . 1 1 43 43 TYR N N 15 117.301 0.400 . 1 . . . . 128 TYR N . 15676 1 39 . 1 1 44 44 VAL H H 1 8.974 0.020 . 1 . . . . 129 VAL H . 15676 1 40 . 1 1 44 44 VAL HA H 1 4.344 0.020 . 1 . . . . 129 VAL HA . 15676 1 41 . 1 1 44 44 VAL HB H 1 1.522 0.020 . 1 . . . . 129 VAL HB . 15676 1 42 . 1 1 44 44 VAL HG11 H 1 0.390 0.020 . 2 . . . . 129 VAL HG1 . 15676 1 43 . 1 1 44 44 VAL HG12 H 1 0.390 0.020 . 2 . . . . 129 VAL HG1 . 15676 1 44 . 1 1 44 44 VAL HG13 H 1 0.390 0.020 . 2 . . . . 129 VAL HG1 . 15676 1 45 . 1 1 44 44 VAL HG21 H 1 0.686 0.020 . 2 . . . . 129 VAL HG2 . 15676 1 46 . 1 1 44 44 VAL HG22 H 1 0.686 0.020 . 2 . . . . 129 VAL HG2 . 15676 1 47 . 1 1 44 44 VAL HG23 H 1 0.686 0.020 . 2 . . . . 129 VAL HG2 . 15676 1 48 . 1 1 44 44 VAL CA C 13 59.555 0.400 . 1 . . . . 129 VAL CA . 15676 1 49 . 1 1 44 44 VAL CB C 13 34.728 0.400 . 1 . . . . 129 VAL CB . 15676 1 50 . 1 1 44 44 VAL CG1 C 13 19.357 0.400 . 1 . . . . 129 VAL CG1 . 15676 1 51 . 1 1 44 44 VAL CG2 C 13 21.028 0.400 . 1 . . . . 129 VAL CG2 . 15676 1 52 . 1 1 44 44 VAL N N 15 118.589 0.400 . 1 . . . . 129 VAL N . 15676 1 53 . 1 1 45 45 LEU H H 1 8.029 0.020 . 1 . . . . 130 LEU H . 15676 1 54 . 1 1 45 45 LEU HD11 H 1 0.581 0.020 . 2 . . . . 130 LEU HD1 . 15676 1 55 . 1 1 45 45 LEU HD12 H 1 0.581 0.020 . 2 . . . . 130 LEU HD1 . 15676 1 56 . 1 1 45 45 LEU HD13 H 1 0.581 0.020 . 2 . . . . 130 LEU HD1 . 15676 1 57 . 1 1 45 45 LEU HD21 H 1 0.003 0.020 . 2 . . . . 130 LEU HD2 . 15676 1 58 . 1 1 45 45 LEU HD22 H 1 0.003 0.020 . 2 . . . . 130 LEU HD2 . 15676 1 59 . 1 1 45 45 LEU HD23 H 1 0.003 0.020 . 2 . . . . 130 LEU HD2 . 15676 1 60 . 1 1 45 45 LEU CD1 C 13 25.473 0.400 . 1 . . . . 130 LEU CD1 . 15676 1 61 . 1 1 45 45 LEU CD2 C 13 21.906 0.400 . 1 . . . . 130 LEU CD2 . 15676 1 62 . 1 1 45 45 LEU N N 15 123.350 0.400 . 1 . . . . 130 LEU N . 15676 1 63 . 1 1 46 46 GLY H H 1 9.278 0.020 . 1 . . . . 131 GLY H . 15676 1 64 . 1 1 46 46 GLY CA C 13 44.842 0.400 . 1 . . . . 131 GLY CA . 15676 1 65 . 1 1 46 46 GLY N N 15 114.623 0.400 . 1 . . . . 131 GLY N . 15676 1 66 . 1 1 47 47 SER H H 1 8.315 0.020 . 1 . . . . 132 SER H . 15676 1 67 . 1 1 47 47 SER HA H 1 4.438 0.020 . 1 . . . . 132 SER HA . 15676 1 68 . 1 1 47 47 SER HB2 H 1 4.012 0.020 . 2 . . . . 132 SER HB2 . 15676 1 69 . 1 1 47 47 SER HB3 H 1 3.939 0.020 . 2 . . . . 132 SER HB3 . 15676 1 70 . 1 1 47 47 SER CA C 13 58.520 0.400 . 1 . . . . 132 SER CA . 15676 1 71 . 1 1 47 47 SER CB C 13 64.166 0.400 . 1 . . . . 132 SER CB . 15676 1 72 . 1 1 47 47 SER N N 15 113.038 0.400 . 1 . . . . 132 SER N . 15676 1 73 . 1 1 48 48 ALA H H 1 8.736 0.020 . 1 . . . . 133 ALA H . 15676 1 74 . 1 1 48 48 ALA HA H 1 4.425 0.020 . 1 . . . . 133 ALA HA . 15676 1 75 . 1 1 48 48 ALA HB1 H 1 1.285 0.020 . 1 . . . . 133 ALA HB . 15676 1 76 . 1 1 48 48 ALA HB2 H 1 1.285 0.020 . 1 . . . . 133 ALA HB . 15676 1 77 . 1 1 48 48 ALA HB3 H 1 1.285 0.020 . 1 . . . . 133 ALA HB . 15676 1 78 . 1 1 48 48 ALA CA C 13 53.090 0.400 . 1 . . . . 133 ALA CA . 15676 1 79 . 1 1 48 48 ALA CB C 13 18.465 0.400 . 1 . . . . 133 ALA CB . 15676 1 80 . 1 1 48 48 ALA N N 15 125.270 0.400 . 1 . . . . 133 ALA N . 15676 1 81 . 1 1 49 49 MET H H 1 8.758 0.020 . 1 . . . . 134 MET H . 15676 1 82 . 1 1 49 49 MET HA H 1 4.754 0.020 . 1 . . . . 134 MET HA . 15676 1 83 . 1 1 49 49 MET HB2 H 1 1.994 0.020 . 2 . . . . 134 MET HB2 . 15676 1 84 . 1 1 49 49 MET HB3 H 1 1.994 0.020 . 2 . . . . 134 MET HB3 . 15676 1 85 . 1 1 49 49 MET HE1 H 1 2.158 0.020 . 1 . . . . 134 MET HE . 15676 1 86 . 1 1 49 49 MET HE2 H 1 2.158 0.020 . 1 . . . . 134 MET HE . 15676 1 87 . 1 1 49 49 MET HE3 H 1 2.158 0.020 . 1 . . . . 134 MET HE . 15676 1 88 . 1 1 49 49 MET HG2 H 1 2.462 0.020 . 2 . . . . 134 MET HG2 . 15676 1 89 . 1 1 49 49 MET HG3 H 1 2.424 0.020 . 2 . . . . 134 MET HG3 . 15676 1 90 . 1 1 49 49 MET CA C 13 53.972 0.400 . 1 . . . . 134 MET CA . 15676 1 91 . 1 1 49 49 MET CB C 13 37.222 0.400 . 1 . . . . 134 MET CB . 15676 1 92 . 1 1 49 49 MET CE C 13 17.464 0.400 . 1 . . . . 134 MET CE . 15676 1 93 . 1 1 49 49 MET CG C 13 30.989 0.400 . 1 . . . . 134 MET CG . 15676 1 94 . 1 1 49 49 MET N N 15 120.911 0.400 . 1 . . . . 134 MET N . 15676 1 95 . 1 1 50 50 SER H H 1 8.430 0.020 . 1 . . . . 135 SER H . 15676 1 96 . 1 1 50 50 SER HA H 1 4.356 0.020 . 1 . . . . 135 SER HA . 15676 1 97 . 1 1 50 50 SER HB2 H 1 3.840 0.020 . 2 . . . . 135 SER HB2 . 15676 1 98 . 1 1 50 50 SER HB3 H 1 3.753 0.020 . 2 . . . . 135 SER HB3 . 15676 1 99 . 1 1 50 50 SER CA C 13 58.630 0.400 . 1 . . . . 135 SER CA . 15676 1 100 . 1 1 50 50 SER CB C 13 63.575 0.400 . 1 . . . . 135 SER CB . 15676 1 101 . 1 1 50 50 SER N N 15 116.162 0.400 . 1 . . . . 135 SER N . 15676 1 102 . 1 1 51 51 ARG H H 1 8.646 0.020 . 1 . . . . 136 ARG H . 15676 1 103 . 1 1 51 51 ARG HA H 1 4.434 0.020 . 1 . . . . 136 ARG HA . 15676 1 104 . 1 1 51 51 ARG HB2 H 1 1.875 0.020 . 2 . . . . 136 ARG HB2 . 15676 1 105 . 1 1 51 51 ARG HB3 H 1 1.791 0.020 . 2 . . . . 136 ARG HB3 . 15676 1 106 . 1 1 51 51 ARG HD2 H 1 3.189 0.020 . 2 . . . . 136 ARG HD2 . 15676 1 107 . 1 1 51 51 ARG HD3 H 1 3.106 0.020 . 2 . . . . 136 ARG HD3 . 15676 1 108 . 1 1 51 51 ARG HE H 1 6.749 0.020 . 1 . . . . 136 ARG HE . 15676 1 109 . 1 1 51 51 ARG HG2 H 1 1.707 0.020 . 2 . . . . 136 ARG HG2 . 15676 1 110 . 1 1 51 51 ARG HG3 H 1 1.707 0.020 . 2 . . . . 136 ARG HG3 . 15676 1 111 . 1 1 51 51 ARG CA C 13 54.863 0.400 . 1 . . . . 136 ARG CA . 15676 1 112 . 1 1 51 51 ARG CB C 13 30.519 0.400 . 1 . . . . 136 ARG CB . 15676 1 113 . 1 1 51 51 ARG CD C 13 43.463 0.400 . 1 . . . . 136 ARG CD . 15676 1 114 . 1 1 51 51 ARG CG C 13 29.110 0.400 . 1 . . . . 136 ARG CG . 15676 1 115 . 1 1 51 51 ARG N N 15 126.460 0.400 . 1 . . . . 136 ARG N . 15676 1 116 . 1 1 51 51 ARG NE N 15 85.476 0.400 . 1 . . . . 136 ARG NE . 15676 1 117 . 1 1 52 52 PRO HA H 1 4.413 0.020 . 1 . . . . 137 PRO HA . 15676 1 118 . 1 1 52 52 PRO HB2 H 1 2.275 0.020 . 2 . . . . 137 PRO HB2 . 15676 1 119 . 1 1 52 52 PRO HB3 H 1 1.731 0.020 . 2 . . . . 137 PRO HB3 . 15676 1 120 . 1 1 52 52 PRO HD2 H 1 3.861 0.020 . 2 . . . . 137 PRO HD2 . 15676 1 121 . 1 1 52 52 PRO HD3 H 1 3.784 0.020 . 2 . . . . 137 PRO HD3 . 15676 1 122 . 1 1 52 52 PRO HG2 H 1 1.745 0.020 . 2 . . . . 137 PRO HG2 . 15676 1 123 . 1 1 52 52 PRO HG3 H 1 1.745 0.020 . 2 . . . . 137 PRO HG3 . 15676 1 124 . 1 1 52 52 PRO CA C 13 62.198 0.400 . 1 . . . . 137 PRO CA . 15676 1 125 . 1 1 52 52 PRO CB C 13 32.165 0.400 . 1 . . . . 137 PRO CB . 15676 1 126 . 1 1 52 52 PRO CD C 13 50.838 0.400 . 1 . . . . 137 PRO CD . 15676 1 127 . 1 1 52 52 PRO CG C 13 27.531 0.400 . 1 . . . . 137 PRO CG . 15676 1 128 . 1 1 53 53 ILE H H 1 8.647 0.020 . 1 . . . . 138 ILE H . 15676 1 129 . 1 1 53 53 ILE HA H 1 4.160 0.020 . 1 . . . . 138 ILE HA . 15676 1 130 . 1 1 53 53 ILE HB H 1 1.907 0.020 . 1 . . . . 138 ILE HB . 15676 1 131 . 1 1 53 53 ILE HD11 H 1 0.886 0.020 . 1 . . . . 138 ILE HD1 . 15676 1 132 . 1 1 53 53 ILE HD12 H 1 0.886 0.020 . 1 . . . . 138 ILE HD1 . 15676 1 133 . 1 1 53 53 ILE HD13 H 1 0.886 0.020 . 1 . . . . 138 ILE HD1 . 15676 1 134 . 1 1 53 53 ILE HG12 H 1 1.586 0.020 . 2 . . . . 138 ILE HG12 . 15676 1 135 . 1 1 53 53 ILE HG13 H 1 1.373 0.020 . 2 . . . . 138 ILE HG13 . 15676 1 136 . 1 1 53 53 ILE HG21 H 1 0.729 0.020 . 1 . . . . 138 ILE HG2 . 15676 1 137 . 1 1 53 53 ILE HG22 H 1 0.729 0.020 . 1 . . . . 138 ILE HG2 . 15676 1 138 . 1 1 53 53 ILE HG23 H 1 0.729 0.020 . 1 . . . . 138 ILE HG2 . 15676 1 139 . 1 1 53 53 ILE CA C 13 60.851 0.400 . 1 . . . . 138 ILE CA . 15676 1 140 . 1 1 53 53 ILE CB C 13 36.101 0.400 . 1 . . . . 138 ILE CB . 15676 1 141 . 1 1 53 53 ILE CD1 C 13 11.054 0.400 . 1 . . . . 138 ILE CD1 . 15676 1 142 . 1 1 53 53 ILE CG1 C 13 27.209 0.400 . 1 . . . . 138 ILE CG1 . 15676 1 143 . 1 1 53 53 ILE CG2 C 13 17.247 0.400 . 1 . . . . 138 ILE CG2 . 15676 1 144 . 1 1 53 53 ILE N N 15 122.534 0.400 . 1 . . . . 138 ILE N . 15676 1 145 . 1 1 54 54 ILE H H 1 6.485 0.020 . 1 . . . . 139 ILE H . 15676 1 146 . 1 1 54 54 ILE HA H 1 3.926 0.020 . 1 . . . . 139 ILE HA . 15676 1 147 . 1 1 54 54 ILE HB H 1 0.853 0.020 . 1 . . . . 139 ILE HB . 15676 1 148 . 1 1 54 54 ILE HD11 H 1 0.466 0.020 . 1 . . . . 139 ILE HD1 . 15676 1 149 . 1 1 54 54 ILE HD12 H 1 0.466 0.020 . 1 . . . . 139 ILE HD1 . 15676 1 150 . 1 1 54 54 ILE HD13 H 1 0.466 0.020 . 1 . . . . 139 ILE HD1 . 15676 1 151 . 1 1 54 54 ILE HG12 H 1 0.915 0.020 . 2 . . . . 139 ILE HG12 . 15676 1 152 . 1 1 54 54 ILE HG13 H 1 0.764 0.020 . 2 . . . . 139 ILE HG13 . 15676 1 153 . 1 1 54 54 ILE HG21 H 1 -0.057 0.020 . 1 . . . . 139 ILE HG2 . 15676 1 154 . 1 1 54 54 ILE HG22 H 1 -0.057 0.020 . 1 . . . . 139 ILE HG2 . 15676 1 155 . 1 1 54 54 ILE HG23 H 1 -0.057 0.020 . 1 . . . . 139 ILE HG2 . 15676 1 156 . 1 1 54 54 ILE CA C 13 58.665 0.400 . 1 . . . . 139 ILE CA . 15676 1 157 . 1 1 54 54 ILE CB C 13 39.251 0.400 . 1 . . . . 139 ILE CB . 15676 1 158 . 1 1 54 54 ILE CD1 C 13 12.415 0.400 . 1 . . . . 139 ILE CD1 . 15676 1 159 . 1 1 54 54 ILE CG1 C 13 26.518 0.400 . 1 . . . . 139 ILE CG1 . 15676 1 160 . 1 1 54 54 ILE CG2 C 13 17.019 0.400 . 1 . . . . 139 ILE CG2 . 15676 1 161 . 1 1 54 54 ILE N N 15 126.733 0.400 . 1 . . . . 139 ILE N . 15676 1 162 . 1 1 55 55 HIS H H 1 8.249 0.020 . 1 . . . . 140 HIS H . 15676 1 163 . 1 1 55 55 HIS HA H 1 4.935 0.020 . 1 . . . . 140 HIS HA . 15676 1 164 . 1 1 55 55 HIS HB2 H 1 3.278 0.020 . 2 . . . . 140 HIS HB2 . 15676 1 165 . 1 1 55 55 HIS HB3 H 1 2.939 0.020 . 2 . . . . 140 HIS HB3 . 15676 1 166 . 1 1 55 55 HIS HD2 H 1 7.244 0.020 . 1 . . . . 140 HIS HD2 . 15676 1 167 . 1 1 55 55 HIS CA C 13 54.209 0.400 . 1 . . . . 140 HIS CA . 15676 1 168 . 1 1 55 55 HIS CB C 13 29.326 0.400 . 1 . . . . 140 HIS CB . 15676 1 169 . 1 1 55 55 HIS CD2 C 13 120.066 0.400 . 1 . . . . 140 HIS CD2 . 15676 1 170 . 1 1 55 55 HIS N N 15 122.048 0.400 . 1 . . . . 140 HIS N . 15676 1 171 . 1 1 56 56 PHE H H 1 10.205 0.020 . 1 . . . . 141 PHE H . 15676 1 172 . 1 1 56 56 PHE HA H 1 4.360 0.020 . 1 . . . . 141 PHE HA . 15676 1 173 . 1 1 56 56 PHE HB2 H 1 3.333 0.020 . 2 . . . . 141 PHE HB2 . 15676 1 174 . 1 1 56 56 PHE HB3 H 1 2.805 0.020 . 2 . . . . 141 PHE HB3 . 15676 1 175 . 1 1 56 56 PHE CA C 13 59.367 0.400 . 1 . . . . 141 PHE CA . 15676 1 176 . 1 1 56 56 PHE CB C 13 41.594 0.400 . 1 . . . . 141 PHE CB . 15676 1 177 . 1 1 56 56 PHE N N 15 124.145 0.400 . 1 . . . . 141 PHE N . 15676 1 178 . 1 1 57 57 GLY H H 1 9.008 0.020 . 1 . . . . 142 GLY H . 15676 1 179 . 1 1 57 57 GLY HA2 H 1 3.835 0.020 . 2 . . . . 142 GLY HA2 . 15676 1 180 . 1 1 57 57 GLY HA3 H 1 4.168 0.020 . 2 . . . . 142 GLY HA3 . 15676 1 181 . 1 1 57 57 GLY CA C 13 45.777 0.400 . 1 . . . . 142 GLY CA . 15676 1 182 . 1 1 57 57 GLY N N 15 108.268 0.400 . 1 . . . . 142 GLY N . 15676 1 183 . 1 1 58 58 SER H H 1 7.327 0.020 . 1 . . . . 143 SER H . 15676 1 184 . 1 1 58 58 SER HA H 1 4.820 0.020 . 1 . . . . 143 SER HA . 15676 1 185 . 1 1 58 58 SER HB2 H 1 4.130 0.020 . 2 . . . . 143 SER HB2 . 15676 1 186 . 1 1 58 58 SER HB3 H 1 3.919 0.020 . 2 . . . . 143 SER HB3 . 15676 1 187 . 1 1 58 58 SER CA C 13 56.405 0.400 . 1 . . . . 143 SER CA . 15676 1 188 . 1 1 58 58 SER CB C 13 66.034 0.400 . 1 . . . . 143 SER CB . 15676 1 189 . 1 1 58 58 SER N N 15 111.827 0.400 . 1 . . . . 143 SER N . 15676 1 190 . 1 1 59 59 ASP H H 1 9.051 0.020 . 1 . . . . 144 ASP H . 15676 1 191 . 1 1 59 59 ASP HA H 1 4.502 0.020 . 1 . . . . 144 ASP HA . 15676 1 192 . 1 1 59 59 ASP HB2 H 1 2.737 0.020 . 2 . . . . 144 ASP HB2 . 15676 1 193 . 1 1 59 59 ASP HB3 H 1 2.737 0.020 . 2 . . . . 144 ASP HB3 . 15676 1 194 . 1 1 59 59 ASP CA C 13 57.676 0.400 . 1 . . . . 144 ASP CA . 15676 1 195 . 1 1 59 59 ASP CB C 13 40.505 0.400 . 1 . . . . 144 ASP CB . 15676 1 196 . 1 1 59 59 ASP N N 15 124.541 0.400 . 1 . . . . 144 ASP N . 15676 1 197 . 1 1 60 60 TYR H H 1 8.571 0.020 . 1 . . . . 145 TYR H . 15676 1 198 . 1 1 60 60 TYR HA H 1 4.197 0.020 . 1 . . . . 145 TYR HA . 15676 1 199 . 1 1 60 60 TYR HB2 H 1 3.264 0.020 . 2 . . . . 145 TYR HB2 . 15676 1 200 . 1 1 60 60 TYR HB3 H 1 2.860 0.020 . 2 . . . . 145 TYR HB3 . 15676 1 201 . 1 1 60 60 TYR HD1 H 1 7.047 0.020 . 1 . . . . 145 TYR HD1 . 15676 1 202 . 1 1 60 60 TYR HD2 H 1 7.047 0.020 . 1 . . . . 145 TYR HD2 . 15676 1 203 . 1 1 60 60 TYR HE1 H 1 6.756 0.020 . 1 . . . . 145 TYR HE1 . 15676 1 204 . 1 1 60 60 TYR HE2 H 1 6.756 0.020 . 1 . . . . 145 TYR HE2 . 15676 1 205 . 1 1 60 60 TYR CA C 13 61.232 0.400 . 1 . . . . 145 TYR CA . 15676 1 206 . 1 1 60 60 TYR CB C 13 37.912 0.400 . 1 . . . . 145 TYR CB . 15676 1 207 . 1 1 60 60 TYR CD1 C 13 133.312 0.400 . 1 . . . . 145 TYR CD1 . 15676 1 208 . 1 1 60 60 TYR CE1 C 13 117.570 0.400 . 1 . . . . 145 TYR CE1 . 15676 1 209 . 1 1 60 60 TYR N N 15 118.914 0.400 . 1 . . . . 145 TYR N . 15676 1 210 . 1 1 61 61 GLU H H 1 7.737 0.020 . 1 . . . . 146 GLU H . 15676 1 211 . 1 1 61 61 GLU HA H 1 3.590 0.020 . 1 . . . . 146 GLU HA . 15676 1 212 . 1 1 61 61 GLU HB2 H 1 1.888 0.020 . 2 . . . . 146 GLU HB2 . 15676 1 213 . 1 1 61 61 GLU HB3 H 1 1.550 0.020 . 2 . . . . 146 GLU HB3 . 15676 1 214 . 1 1 61 61 GLU HG2 H 1 2.254 0.020 . 2 . . . . 146 GLU HG2 . 15676 1 215 . 1 1 61 61 GLU HG3 H 1 1.914 0.020 . 2 . . . . 146 GLU HG3 . 15676 1 216 . 1 1 61 61 GLU CA C 13 59.607 0.400 . 1 . . . . 146 GLU CA . 15676 1 217 . 1 1 61 61 GLU CB C 13 30.059 0.400 . 1 . . . . 146 GLU CB . 15676 1 218 . 1 1 61 61 GLU CG C 13 37.628 0.400 . 1 . . . . 146 GLU CG . 15676 1 219 . 1 1 61 61 GLU N N 15 118.985 0.400 . 1 . . . . 146 GLU N . 15676 1 220 . 1 1 62 62 ASP H H 1 8.213 0.020 . 1 . . . . 147 ASP H . 15676 1 221 . 1 1 62 62 ASP HA H 1 4.666 0.020 . 1 . . . . 147 ASP HA . 15676 1 222 . 1 1 62 62 ASP HB2 H 1 3.031 0.020 . 2 . . . . 147 ASP HB2 . 15676 1 223 . 1 1 62 62 ASP HB3 H 1 2.873 0.020 . 2 . . . . 147 ASP HB3 . 15676 1 224 . 1 1 62 62 ASP CA C 13 58.292 0.400 . 1 . . . . 147 ASP CA . 15676 1 225 . 1 1 62 62 ASP CB C 13 40.171 0.400 . 1 . . . . 147 ASP CB . 15676 1 226 . 1 1 62 62 ASP N N 15 119.785 0.400 . 1 . . . . 147 ASP N . 15676 1 227 . 1 1 63 63 ARG H H 1 8.229 0.020 . 1 . . . . 148 ARG H . 15676 1 228 . 1 1 63 63 ARG HA H 1 4.016 0.020 . 1 . . . . 148 ARG HA . 15676 1 229 . 1 1 63 63 ARG HB2 H 1 1.913 0.020 . 2 . . . . 148 ARG HB2 . 15676 1 230 . 1 1 63 63 ARG HB3 H 1 1.913 0.020 . 2 . . . . 148 ARG HB3 . 15676 1 231 . 1 1 63 63 ARG HD2 H 1 3.219 0.020 . 2 . . . . 148 ARG HD2 . 15676 1 232 . 1 1 63 63 ARG HD3 H 1 3.219 0.020 . 2 . . . . 148 ARG HD3 . 15676 1 233 . 1 1 63 63 ARG HE H 1 7.484 0.020 . 1 . . . . 148 ARG HE . 15676 1 234 . 1 1 63 63 ARG HG2 H 1 1.763 0.020 . 2 . . . . 148 ARG HG2 . 15676 1 235 . 1 1 63 63 ARG HG3 H 1 1.565 0.020 . 2 . . . . 148 ARG HG3 . 15676 1 236 . 1 1 63 63 ARG CA C 13 59.611 0.400 . 1 . . . . 148 ARG CA . 15676 1 237 . 1 1 63 63 ARG CB C 13 30.059 0.400 . 1 . . . . 148 ARG CB . 15676 1 238 . 1 1 63 63 ARG CD C 13 43.437 0.400 . 1 . . . . 148 ARG CD . 15676 1 239 . 1 1 63 63 ARG CG C 13 27.847 0.400 . 1 . . . . 148 ARG CG . 15676 1 240 . 1 1 63 63 ARG N N 15 120.339 0.400 . 1 . . . . 148 ARG N . 15676 1 241 . 1 1 63 63 ARG NE N 15 85.268 0.400 . 1 . . . . 148 ARG NE . 15676 1 242 . 1 1 64 64 TYR H H 1 8.340 0.020 . 1 . . . . 149 TYR H . 15676 1 243 . 1 1 64 64 TYR HA H 1 3.829 0.020 . 1 . . . . 149 TYR HA . 15676 1 244 . 1 1 64 64 TYR HB2 H 1 2.868 0.020 . 2 . . . . 149 TYR HB2 . 15676 1 245 . 1 1 64 64 TYR HB3 H 1 2.615 0.020 . 2 . . . . 149 TYR HB3 . 15676 1 246 . 1 1 64 64 TYR HD1 H 1 6.939 0.020 . 1 . . . . 149 TYR HD1 . 15676 1 247 . 1 1 64 64 TYR HD2 H 1 6.939 0.020 . 1 . . . . 149 TYR HD2 . 15676 1 248 . 1 1 64 64 TYR HE1 H 1 6.812 0.020 . 1 . . . . 149 TYR HE1 . 15676 1 249 . 1 1 64 64 TYR HE2 H 1 6.812 0.020 . 1 . . . . 149 TYR HE2 . 15676 1 250 . 1 1 64 64 TYR CA C 13 61.991 0.400 . 1 . . . . 149 TYR CA . 15676 1 251 . 1 1 64 64 TYR CB C 13 38.417 0.400 . 1 . . . . 149 TYR CB . 15676 1 252 . 1 1 64 64 TYR CD1 C 13 133.381 0.400 . 1 . . . . 149 TYR CD1 . 15676 1 253 . 1 1 64 64 TYR CE1 C 13 117.970 0.400 . 1 . . . . 149 TYR CE1 . 15676 1 254 . 1 1 64 64 TYR N N 15 121.093 0.400 . 1 . . . . 149 TYR N . 15676 1 255 . 1 1 65 65 TYR H H 1 8.979 0.020 . 1 . . . . 150 TYR H . 15676 1 256 . 1 1 65 65 TYR HA H 1 4.132 0.020 . 1 . . . . 150 TYR HA . 15676 1 257 . 1 1 65 65 TYR HB2 H 1 3.524 0.020 . 2 . . . . 150 TYR HB2 . 15676 1 258 . 1 1 65 65 TYR HB3 H 1 3.253 0.020 . 2 . . . . 150 TYR HB3 . 15676 1 259 . 1 1 65 65 TYR HD1 H 1 7.527 0.020 . 1 . . . . 150 TYR HD1 . 15676 1 260 . 1 1 65 65 TYR HD2 H 1 7.527 0.020 . 1 . . . . 150 TYR HD2 . 15676 1 261 . 1 1 65 65 TYR HE1 H 1 7.006 0.020 . 1 . . . . 150 TYR HE1 . 15676 1 262 . 1 1 65 65 TYR HE2 H 1 7.006 0.020 . 1 . . . . 150 TYR HE2 . 15676 1 263 . 1 1 65 65 TYR CA C 13 62.691 0.400 . 1 . . . . 150 TYR CA . 15676 1 264 . 1 1 65 65 TYR CB C 13 38.025 0.400 . 1 . . . . 150 TYR CB . 15676 1 265 . 1 1 65 65 TYR CD1 C 13 133.557 0.400 . 1 . . . . 150 TYR CD1 . 15676 1 266 . 1 1 65 65 TYR CE1 C 13 118.117 0.400 . 1 . . . . 150 TYR CE1 . 15676 1 267 . 1 1 65 65 TYR N N 15 120.575 0.400 . 1 . . . . 150 TYR N . 15676 1 268 . 1 1 66 66 ARG H H 1 7.997 0.020 . 1 . . . . 151 ARG H . 15676 1 269 . 1 1 66 66 ARG HA H 1 3.925 0.020 . 1 . . . . 151 ARG HA . 15676 1 270 . 1 1 66 66 ARG HB2 H 1 2.059 0.020 . 2 . . . . 151 ARG HB2 . 15676 1 271 . 1 1 66 66 ARG HB3 H 1 1.943 0.020 . 2 . . . . 151 ARG HB3 . 15676 1 272 . 1 1 66 66 ARG HD2 H 1 3.281 0.020 . 2 . . . . 151 ARG HD2 . 15676 1 273 . 1 1 66 66 ARG HD3 H 1 3.238 0.020 . 2 . . . . 151 ARG HD3 . 15676 1 274 . 1 1 66 66 ARG HE H 1 7.495 0.020 . 1 . . . . 151 ARG HE . 15676 1 275 . 1 1 66 66 ARG HG2 H 1 2.027 0.020 . 2 . . . . 151 ARG HG2 . 15676 1 276 . 1 1 66 66 ARG HG3 H 1 1.738 0.020 . 2 . . . . 151 ARG HG3 . 15676 1 277 . 1 1 66 66 ARG CA C 13 60.050 0.400 . 1 . . . . 151 ARG CA . 15676 1 278 . 1 1 66 66 ARG CB C 13 29.901 0.400 . 1 . . . . 151 ARG CB . 15676 1 279 . 1 1 66 66 ARG CD C 13 43.411 0.400 . 1 . . . . 151 ARG CD . 15676 1 280 . 1 1 66 66 ARG CG C 13 27.899 0.400 . 1 . . . . 151 ARG CG . 15676 1 281 . 1 1 66 66 ARG N N 15 117.799 0.400 . 1 . . . . 151 ARG N . 15676 1 282 . 1 1 66 66 ARG NE N 15 84.324 0.400 . 1 . . . . 151 ARG NE . 15676 1 283 . 1 1 67 67 GLU H H 1 8.076 0.020 . 1 . . . . 152 GLU H . 15676 1 284 . 1 1 67 67 GLU HA H 1 4.082 0.020 . 1 . . . . 152 GLU HA . 15676 1 285 . 1 1 67 67 GLU HB2 H 1 1.897 0.020 . 2 . . . . 152 GLU HB2 . 15676 1 286 . 1 1 67 67 GLU HB3 H 1 1.897 0.020 . 2 . . . . 152 GLU HB3 . 15676 1 287 . 1 1 67 67 GLU HG2 H 1 2.429 0.020 . 2 . . . . 152 GLU HG2 . 15676 1 288 . 1 1 67 67 GLU HG3 H 1 2.223 0.020 . 2 . . . . 152 GLU HG3 . 15676 1 289 . 1 1 67 67 GLU CA C 13 58.125 0.400 . 1 . . . . 152 GLU CA . 15676 1 290 . 1 1 67 67 GLU CB C 13 29.743 0.400 . 1 . . . . 152 GLU CB . 15676 1 291 . 1 1 67 67 GLU CG C 13 35.860 0.400 . 1 . . . . 152 GLU CG . 15676 1 292 . 1 1 67 67 GLU N N 15 116.601 0.400 . 1 . . . . 152 GLU N . 15676 1 293 . 1 1 68 68 ASN H H 1 7.621 0.020 . 1 . . . . 153 ASN H . 15676 1 294 . 1 1 68 68 ASN HA H 1 4.321 0.020 . 1 . . . . 153 ASN HA . 15676 1 295 . 1 1 68 68 ASN HB2 H 1 2.159 0.020 . 2 . . . . 153 ASN HB2 . 15676 1 296 . 1 1 68 68 ASN HB3 H 1 2.159 0.020 . 2 . . . . 153 ASN HB3 . 15676 1 297 . 1 1 68 68 ASN HD21 H 1 6.717 0.020 . 2 . . . . 153 ASN HD21 . 15676 1 298 . 1 1 68 68 ASN HD22 H 1 6.578 0.020 . 2 . . . . 153 ASN HD22 . 15676 1 299 . 1 1 68 68 ASN CA C 13 54.958 0.400 . 1 . . . . 153 ASN CA . 15676 1 300 . 1 1 68 68 ASN CB C 13 41.041 0.400 . 1 . . . . 153 ASN CB . 15676 1 301 . 1 1 68 68 ASN N N 15 114.623 0.400 . 1 . . . . 153 ASN N . 15676 1 302 . 1 1 68 68 ASN ND2 N 15 117.015 0.400 . 1 . . . . 153 ASN ND2 . 15676 1 303 . 1 1 69 69 MET H H 1 8.105 0.020 . 1 . . . . 154 MET H . 15676 1 304 . 1 1 69 69 MET HA H 1 3.458 0.020 . 1 . . . . 154 MET HA . 15676 1 305 . 1 1 69 69 MET HB2 H 1 1.654 0.020 . 2 . . . . 154 MET HB2 . 15676 1 306 . 1 1 69 69 MET HB3 H 1 1.349 0.020 . 2 . . . . 154 MET HB3 . 15676 1 307 . 1 1 69 69 MET HE1 H 1 2.018 0.020 . 1 . . . . 154 MET HE . 15676 1 308 . 1 1 69 69 MET HE2 H 1 2.018 0.020 . 1 . . . . 154 MET HE . 15676 1 309 . 1 1 69 69 MET HE3 H 1 2.018 0.020 . 1 . . . . 154 MET HE . 15676 1 310 . 1 1 69 69 MET HG2 H 1 2.540 0.020 . 2 . . . . 154 MET HG2 . 15676 1 311 . 1 1 69 69 MET HG3 H 1 2.153 0.020 . 2 . . . . 154 MET HG3 . 15676 1 312 . 1 1 69 69 MET CA C 13 59.104 0.400 . 1 . . . . 154 MET CA . 15676 1 313 . 1 1 69 69 MET CB C 13 30.533 0.400 . 1 . . . . 154 MET CB . 15676 1 314 . 1 1 69 69 MET CE C 13 17.443 0.400 . 1 . . . . 154 MET CE . 15676 1 315 . 1 1 69 69 MET CG C 13 30.661 0.400 . 1 . . . . 154 MET CG . 15676 1 316 . 1 1 69 69 MET N N 15 119.633 0.400 . 1 . . . . 154 MET N . 15676 1 317 . 1 1 70 70 HIS H H 1 8.070 0.020 . 1 . . . . 155 HIS H . 15676 1 318 . 1 1 70 70 HIS HD2 H 1 7.292 0.020 . 1 . . . . 155 HIS HD2 . 15676 1 319 . 1 1 70 70 HIS CA C 13 57.650 0.400 . 1 . . . . 155 HIS CA . 15676 1 320 . 1 1 70 70 HIS CB C 13 27.591 0.400 . 1 . . . . 155 HIS CB . 15676 1 321 . 1 1 70 70 HIS CD2 C 13 120.127 0.400 . 1 . . . . 155 HIS CD2 . 15676 1 322 . 1 1 70 70 HIS N N 15 115.018 0.400 . 1 . . . . 155 HIS N . 15676 1 323 . 1 1 71 71 ARG H H 1 7.618 0.020 . 1 . . . . 156 ARG H . 15676 1 324 . 1 1 71 71 ARG HE H 1 7.402 0.020 . 1 . . . . 156 ARG HE . 15676 1 325 . 1 1 71 71 ARG CA C 13 56.278 0.400 . 1 . . . . 156 ARG CA . 15676 1 326 . 1 1 71 71 ARG CB C 13 30.770 0.400 . 1 . . . . 156 ARG CB . 15676 1 327 . 1 1 71 71 ARG CD C 13 44.122 0.400 . 1 . . . . 156 ARG CD . 15676 1 328 . 1 1 71 71 ARG CG C 13 27.172 0.400 . 1 . . . . 156 ARG CG . 15676 1 329 . 1 1 71 71 ARG N N 15 118.197 0.400 . 1 . . . . 156 ARG N . 15676 1 330 . 1 1 71 71 ARG NE N 15 84.248 0.400 . 1 . . . . 156 ARG NE . 15676 1 331 . 1 1 72 72 TYR H H 1 7.473 0.020 . 1 . . . . 157 TYR H . 15676 1 332 . 1 1 72 72 TYR HA H 1 5.034 0.020 . 1 . . . . 157 TYR HA . 15676 1 333 . 1 1 72 72 TYR HB2 H 1 3.209 0.020 . 2 . . . . 157 TYR HB2 . 15676 1 334 . 1 1 72 72 TYR HB3 H 1 3.120 0.020 . 2 . . . . 157 TYR HB3 . 15676 1 335 . 1 1 72 72 TYR HD1 H 1 6.883 0.020 . 1 . . . . 157 TYR HD1 . 15676 1 336 . 1 1 72 72 TYR HD2 H 1 6.883 0.020 . 1 . . . . 157 TYR HD2 . 15676 1 337 . 1 1 72 72 TYR HE1 H 1 6.537 0.020 . 1 . . . . 157 TYR HE1 . 15676 1 338 . 1 1 72 72 TYR HE2 H 1 6.537 0.020 . 1 . . . . 157 TYR HE2 . 15676 1 339 . 1 1 72 72 TYR CA C 13 52.768 0.400 . 1 . . . . 157 TYR CA . 15676 1 340 . 1 1 72 72 TYR CB C 13 35.150 0.400 . 1 . . . . 157 TYR CB . 15676 1 341 . 1 1 72 72 TYR CD1 C 13 131.305 0.400 . 1 . . . . 157 TYR CD1 . 15676 1 342 . 1 1 72 72 TYR CE1 C 13 117.471 0.400 . 1 . . . . 157 TYR CE1 . 15676 1 343 . 1 1 72 72 TYR N N 15 120.873 0.400 . 1 . . . . 157 TYR N . 15676 1 344 . 1 1 73 73 PRO HA H 1 4.425 0.020 . 1 . . . . 158 PRO HA . 15676 1 345 . 1 1 73 73 PRO HB2 H 1 1.678 0.020 . 2 . . . . 158 PRO HB2 . 15676 1 346 . 1 1 73 73 PRO HB3 H 1 2.343 0.020 . 2 . . . . 158 PRO HB3 . 15676 1 347 . 1 1 73 73 PRO HD2 H 1 3.309 0.020 . 2 . . . . 158 PRO HD2 . 15676 1 348 . 1 1 73 73 PRO HD3 H 1 3.132 0.020 . 2 . . . . 158 PRO HD3 . 15676 1 349 . 1 1 73 73 PRO HG2 H 1 1.551 0.020 . 2 . . . . 158 PRO HG2 . 15676 1 350 . 1 1 73 73 PRO HG3 H 1 1.330 0.020 . 2 . . . . 158 PRO HG3 . 15676 1 351 . 1 1 73 73 PRO CA C 13 63.737 0.400 . 1 . . . . 158 PRO CA . 15676 1 352 . 1 1 73 73 PRO CB C 13 32.071 0.400 . 1 . . . . 158 PRO CB . 15676 1 353 . 1 1 73 73 PRO CD C 13 49.958 0.400 . 1 . . . . 158 PRO CD . 15676 1 354 . 1 1 73 73 PRO CG C 13 27.209 0.400 . 1 . . . . 158 PRO CG . 15676 1 355 . 1 1 74 74 ASN H H 1 8.562 0.020 . 1 . . . . 159 ASN H . 15676 1 356 . 1 1 74 74 ASN HA H 1 4.708 0.020 . 1 . . . . 159 ASN HA . 15676 1 357 . 1 1 74 74 ASN HB2 H 1 3.639 0.020 . 2 . . . . 159 ASN HB2 . 15676 1 358 . 1 1 74 74 ASN HB3 H 1 2.433 0.020 . 2 . . . . 159 ASN HB3 . 15676 1 359 . 1 1 74 74 ASN HD21 H 1 7.490 0.020 . 2 . . . . 159 ASN HD21 . 15676 1 360 . 1 1 74 74 ASN HD22 H 1 6.783 0.020 . 2 . . . . 159 ASN HD22 . 15676 1 361 . 1 1 74 74 ASN CA C 13 51.965 0.400 . 1 . . . . 159 ASN CA . 15676 1 362 . 1 1 74 74 ASN CB C 13 37.898 0.400 . 1 . . . . 159 ASN CB . 15676 1 363 . 1 1 74 74 ASN N N 15 116.213 0.400 . 1 . . . . 159 ASN N . 15676 1 364 . 1 1 74 74 ASN ND2 N 15 109.149 0.400 . 1 . . . . 159 ASN ND2 . 15676 1 365 . 1 1 75 75 GLN H H 1 7.302 0.020 . 1 . . . . 160 GLN H . 15676 1 366 . 1 1 75 75 GLN HA H 1 4.479 0.020 . 1 . . . . 160 GLN HA . 15676 1 367 . 1 1 75 75 GLN HB2 H 1 2.106 0.020 . 2 . . . . 160 GLN HB2 . 15676 1 368 . 1 1 75 75 GLN HB3 H 1 1.996 0.020 . 2 . . . . 160 GLN HB3 . 15676 1 369 . 1 1 75 75 GLN HE21 H 1 7.896 0.020 . 2 . . . . 160 GLN HE21 . 15676 1 370 . 1 1 75 75 GLN HE22 H 1 6.973 0.020 . 2 . . . . 160 GLN HE22 . 15676 1 371 . 1 1 75 75 GLN CA C 13 54.184 0.400 . 1 . . . . 160 GLN CA . 15676 1 372 . 1 1 75 75 GLN CB C 13 34.167 0.400 . 1 . . . . 160 GLN CB . 15676 1 373 . 1 1 75 75 GLN N N 15 114.122 0.400 . 1 . . . . 160 GLN N . 15676 1 374 . 1 1 75 75 GLN NE2 N 15 112.597 0.400 . 1 . . . . 160 GLN NE2 . 15676 1 375 . 1 1 76 76 VAL H H 1 8.635 0.020 . 1 . . . . 161 VAL H . 15676 1 376 . 1 1 76 76 VAL HA H 1 4.916 0.020 . 1 . . . . 161 VAL HA . 15676 1 377 . 1 1 76 76 VAL HB H 1 2.612 0.020 . 1 . . . . 161 VAL HB . 15676 1 378 . 1 1 76 76 VAL HG11 H 1 0.973 0.020 . 2 . . . . 161 VAL HG1 . 15676 1 379 . 1 1 76 76 VAL HG12 H 1 0.973 0.020 . 2 . . . . 161 VAL HG1 . 15676 1 380 . 1 1 76 76 VAL HG13 H 1 0.973 0.020 . 2 . . . . 161 VAL HG1 . 15676 1 381 . 1 1 76 76 VAL HG21 H 1 0.778 0.020 . 2 . . . . 161 VAL HG2 . 15676 1 382 . 1 1 76 76 VAL HG22 H 1 0.778 0.020 . 2 . . . . 161 VAL HG2 . 15676 1 383 . 1 1 76 76 VAL HG23 H 1 0.778 0.020 . 2 . . . . 161 VAL HG2 . 15676 1 384 . 1 1 76 76 VAL CA C 13 58.557 0.400 . 1 . . . . 161 VAL CA . 15676 1 385 . 1 1 76 76 VAL CB C 13 33.635 0.400 . 1 . . . . 161 VAL CB . 15676 1 386 . 1 1 76 76 VAL CG1 C 13 23.602 0.400 . 1 . . . . 161 VAL CG1 . 15676 1 387 . 1 1 76 76 VAL CG2 C 13 18.210 0.400 . 1 . . . . 161 VAL CG2 . 15676 1 388 . 1 1 76 76 VAL N N 15 112.903 0.400 . 1 . . . . 161 VAL N . 15676 1 389 . 1 1 77 77 TYR H H 1 8.554 0.020 . 1 . . . . 162 TYR H . 15676 1 390 . 1 1 77 77 TYR HA H 1 5.440 0.020 . 1 . . . . 162 TYR HA . 15676 1 391 . 1 1 77 77 TYR HB2 H 1 2.627 0.020 . 2 . . . . 162 TYR HB2 . 15676 1 392 . 1 1 77 77 TYR HB3 H 1 2.504 0.020 . 2 . . . . 162 TYR HB3 . 15676 1 393 . 1 1 77 77 TYR HD1 H 1 6.853 0.020 . 1 . . . . 162 TYR HD1 . 15676 1 394 . 1 1 77 77 TYR HD2 H 1 6.853 0.020 . 1 . . . . 162 TYR HD2 . 15676 1 395 . 1 1 77 77 TYR HE1 H 1 6.713 0.020 . 1 . . . . 162 TYR HE1 . 15676 1 396 . 1 1 77 77 TYR HE2 H 1 6.713 0.020 . 1 . . . . 162 TYR HE2 . 15676 1 397 . 1 1 77 77 TYR CA C 13 57.057 0.400 . 1 . . . . 162 TYR CA . 15676 1 398 . 1 1 77 77 TYR CB C 13 42.147 0.400 . 1 . . . . 162 TYR CB . 15676 1 399 . 1 1 77 77 TYR CD1 C 13 133.249 0.400 . 1 . . . . 162 TYR CD1 . 15676 1 400 . 1 1 77 77 TYR CE1 C 13 118.017 0.400 . 1 . . . . 162 TYR CE1 . 15676 1 401 . 1 1 77 77 TYR N N 15 120.972 0.400 . 1 . . . . 162 TYR N . 15676 1 402 . 1 1 78 78 TYR H H 1 8.686 0.020 . 1 . . . . 163 TYR H . 15676 1 403 . 1 1 78 78 TYR HA H 1 4.797 0.020 . 1 . . . . 163 TYR HA . 15676 1 404 . 1 1 78 78 TYR HB2 H 1 2.615 0.020 . 2 . . . . 163 TYR HB2 . 15676 1 405 . 1 1 78 78 TYR HB3 H 1 2.369 0.020 . 2 . . . . 163 TYR HB3 . 15676 1 406 . 1 1 78 78 TYR HD1 H 1 7.010 0.020 . 1 . . . . 163 TYR HD1 . 15676 1 407 . 1 1 78 78 TYR HD2 H 1 7.010 0.020 . 1 . . . . 163 TYR HD2 . 15676 1 408 . 1 1 78 78 TYR HE1 H 1 6.811 0.020 . 1 . . . . 163 TYR HE1 . 15676 1 409 . 1 1 78 78 TYR HE2 H 1 6.811 0.020 . 1 . . . . 163 TYR HE2 . 15676 1 410 . 1 1 78 78 TYR CA C 13 55.484 0.400 . 1 . . . . 163 TYR CA . 15676 1 411 . 1 1 78 78 TYR CD1 C 13 133.006 0.400 . 1 . . . . 163 TYR CD1 . 15676 1 412 . 1 1 78 78 TYR CE1 C 13 118.143 0.400 . 1 . . . . 163 TYR CE1 . 15676 1 413 . 1 1 78 78 TYR N N 15 111.059 0.400 . 1 . . . . 163 TYR N . 15676 1 414 . 1 1 79 79 ARG HE H 1 7.065 0.020 . 1 . . . . 164 ARG HE . 15676 1 415 . 1 1 79 79 ARG NE N 15 84.082 0.400 . 1 . . . . 164 ARG NE . 15676 1 416 . 1 1 80 80 PRO HG2 H 1 2.150 0.020 . 2 . . . . 165 PRO HG2 . 15676 1 417 . 1 1 80 80 PRO HG3 H 1 2.150 0.020 . 2 . . . . 165 PRO HG3 . 15676 1 418 . 1 1 80 80 PRO CG C 13 27.965 0.400 . 1 . . . . 165 PRO CG . 15676 1 419 . 1 1 81 81 MET HE1 H 1 1.834 0.020 . 1 . . . . 166 MET HE . 15676 1 420 . 1 1 81 81 MET HE2 H 1 1.834 0.020 . 1 . . . . 166 MET HE . 15676 1 421 . 1 1 81 81 MET HE3 H 1 1.834 0.020 . 1 . . . . 166 MET HE . 15676 1 422 . 1 1 81 81 MET CE C 13 16.832 0.400 . 1 . . . . 166 MET CE . 15676 1 423 . 1 1 84 84 TYR HD1 H 1 7.178 0.020 . 1 . . . . 169 TYR HD1 . 15676 1 424 . 1 1 84 84 TYR HD2 H 1 7.178 0.020 . 1 . . . . 169 TYR HD2 . 15676 1 425 . 1 1 84 84 TYR HE1 H 1 6.861 0.020 . 1 . . . . 169 TYR HE1 . 15676 1 426 . 1 1 84 84 TYR HE2 H 1 6.861 0.020 . 1 . . . . 169 TYR HE2 . 15676 1 427 . 1 1 84 84 TYR CD1 C 13 133.050 0.400 . 1 . . . . 169 TYR CD1 . 15676 1 428 . 1 1 84 84 TYR CE1 C 13 118.132 0.400 . 1 . . . . 169 TYR CE1 . 15676 1 429 . 1 1 86 86 ASN HA H 1 4.733 0.020 . 1 . . . . 171 ASN HA . 15676 1 430 . 1 1 86 86 ASN HB2 H 1 3.059 0.020 . 2 . . . . 171 ASN HB2 . 15676 1 431 . 1 1 86 86 ASN HB3 H 1 3.024 0.020 . 2 . . . . 171 ASN HB3 . 15676 1 432 . 1 1 86 86 ASN HD21 H 1 7.677 0.020 . 2 . . . . 171 ASN HD21 . 15676 1 433 . 1 1 86 86 ASN HD22 H 1 6.849 0.020 . 2 . . . . 171 ASN HD22 . 15676 1 434 . 1 1 86 86 ASN CA C 13 52.388 0.400 . 1 . . . . 171 ASN CA . 15676 1 435 . 1 1 86 86 ASN CB C 13 39.935 0.400 . 1 . . . . 171 ASN CB . 15676 1 436 . 1 1 86 86 ASN ND2 N 15 113.634 0.400 . 1 . . . . 171 ASN ND2 . 15676 1 437 . 1 1 87 87 GLN H H 1 8.740 0.020 . 1 . . . . 172 GLN H . 15676 1 438 . 1 1 87 87 GLN HE21 H 1 7.181 0.020 . 2 . . . . 172 GLN HE21 . 15676 1 439 . 1 1 87 87 GLN HE22 H 1 6.948 0.020 . 2 . . . . 172 GLN HE22 . 15676 1 440 . 1 1 87 87 GLN CA C 13 59.906 0.400 . 1 . . . . 172 GLN CA . 15676 1 441 . 1 1 87 87 GLN CB C 13 29.065 0.400 . 1 . . . . 172 GLN CB . 15676 1 442 . 1 1 87 87 GLN CG C 13 33.477 0.400 . 1 . . . . 172 GLN CG . 15676 1 443 . 1 1 87 87 GLN N N 15 121.279 0.400 . 1 . . . . 172 GLN N . 15676 1 444 . 1 1 87 87 GLN NE2 N 15 111.326 0.400 . 1 . . . . 172 GLN NE2 . 15676 1 445 . 1 1 88 88 ASN H H 1 8.427 0.020 . 1 . . . . 173 ASN H . 15676 1 446 . 1 1 88 88 ASN HA H 1 4.255 0.020 . 1 . . . . 173 ASN HA . 15676 1 447 . 1 1 88 88 ASN HB2 H 1 2.774 0.020 . 2 . . . . 173 ASN HB2 . 15676 1 448 . 1 1 88 88 ASN HB3 H 1 2.686 0.020 . 2 . . . . 173 ASN HB3 . 15676 1 449 . 1 1 88 88 ASN HD21 H 1 7.606 0.020 . 2 . . . . 173 ASN HD21 . 15676 1 450 . 1 1 88 88 ASN HD22 H 1 6.957 0.020 . 2 . . . . 173 ASN HD22 . 15676 1 451 . 1 1 88 88 ASN CA C 13 56.396 0.400 . 1 . . . . 173 ASN CA . 15676 1 452 . 1 1 88 88 ASN CB C 13 37.912 0.400 . 1 . . . . 173 ASN CB . 15676 1 453 . 1 1 88 88 ASN N N 15 116.210 0.400 . 1 . . . . 173 ASN N . 15676 1 454 . 1 1 88 88 ASN ND2 N 15 112.701 0.400 . 1 . . . . 173 ASN ND2 . 15676 1 455 . 1 1 89 89 ASN H H 1 8.542 0.020 . 1 . . . . 174 ASN H . 15676 1 456 . 1 1 89 89 ASN HA H 1 4.509 0.020 . 1 . . . . 174 ASN HA . 15676 1 457 . 1 1 89 89 ASN HB2 H 1 2.847 0.020 . 2 . . . . 174 ASN HB2 . 15676 1 458 . 1 1 89 89 ASN HB3 H 1 2.847 0.020 . 2 . . . . 174 ASN HB3 . 15676 1 459 . 1 1 89 89 ASN HD21 H 1 7.603 0.020 . 2 . . . . 174 ASN HD21 . 15676 1 460 . 1 1 89 89 ASN HD22 H 1 6.842 0.020 . 2 . . . . 174 ASN HD22 . 15676 1 461 . 1 1 89 89 ASN CA C 13 56.013 0.400 . 1 . . . . 174 ASN CA . 15676 1 462 . 1 1 89 89 ASN CB C 13 38.359 0.400 . 1 . . . . 174 ASN CB . 15676 1 463 . 1 1 89 89 ASN N N 15 118.573 0.400 . 1 . . . . 174 ASN N . 15676 1 464 . 1 1 89 89 ASN ND2 N 15 112.118 0.400 . 1 . . . . 174 ASN ND2 . 15676 1 465 . 1 1 90 90 PHE H H 1 8.113 0.020 . 1 . . . . 175 PHE H . 15676 1 466 . 1 1 90 90 PHE CA C 13 61.432 0.400 . 1 . . . . 175 PHE CA . 15676 1 467 . 1 1 90 90 PHE N N 15 120.437 0.400 . 1 . . . . 175 PHE N . 15676 1 468 . 1 1 91 91 VAL H H 1 9.215 0.020 . 1 . . . . 176 VAL H . 15676 1 469 . 1 1 91 91 VAL HA H 1 3.608 0.020 . 1 . . . . 176 VAL HA . 15676 1 470 . 1 1 91 91 VAL HB H 1 2.289 0.020 . 1 . . . . 176 VAL HB . 15676 1 471 . 1 1 91 91 VAL HG11 H 1 1.081 0.020 . 2 . . . . 176 VAL HG1 . 15676 1 472 . 1 1 91 91 VAL HG12 H 1 1.081 0.020 . 2 . . . . 176 VAL HG1 . 15676 1 473 . 1 1 91 91 VAL HG13 H 1 1.081 0.020 . 2 . . . . 176 VAL HG1 . 15676 1 474 . 1 1 91 91 VAL HG21 H 1 1.081 0.020 . 2 . . . . 176 VAL HG2 . 15676 1 475 . 1 1 91 91 VAL HG22 H 1 1.081 0.020 . 2 . . . . 176 VAL HG2 . 15676 1 476 . 1 1 91 91 VAL HG23 H 1 1.081 0.020 . 2 . . . . 176 VAL HG2 . 15676 1 477 . 1 1 91 91 VAL CA C 13 67.888 0.400 . 1 . . . . 176 VAL CA . 15676 1 478 . 1 1 91 91 VAL CB C 13 32.042 0.400 . 1 . . . . 176 VAL CB . 15676 1 479 . 1 1 91 91 VAL CG1 C 13 24.656 0.400 . 1 . . . . 176 VAL CG1 . 15676 1 480 . 1 1 91 91 VAL N N 15 120.071 0.400 . 1 . . . . 176 VAL N . 15676 1 481 . 1 1 92 92 HIS H H 1 8.497 0.020 . 1 . . . . 177 HIS H . 15676 1 482 . 1 1 92 92 HIS HA H 1 4.353 0.020 . 1 . . . . 177 HIS HA . 15676 1 483 . 1 1 92 92 HIS HB2 H 1 3.390 0.020 . 2 . . . . 177 HIS HB2 . 15676 1 484 . 1 1 92 92 HIS HB3 H 1 3.299 0.020 . 2 . . . . 177 HIS HB3 . 15676 1 485 . 1 1 92 92 HIS CA C 13 59.251 0.400 . 1 . . . . 177 HIS CA . 15676 1 486 . 1 1 92 92 HIS CB C 13 28.104 0.400 . 1 . . . . 177 HIS CB . 15676 1 487 . 1 1 92 92 HIS N N 15 117.399 0.400 . 1 . . . . 177 HIS N . 15676 1 488 . 1 1 93 93 ASN H H 1 7.860 0.020 . 1 . . . . 178 ASN H . 15676 1 489 . 1 1 93 93 ASN HA H 1 4.521 0.020 . 1 . . . . 178 ASN HA . 15676 1 490 . 1 1 93 93 ASN HB2 H 1 3.003 0.020 . 2 . . . . 178 ASN HB2 . 15676 1 491 . 1 1 93 93 ASN HB3 H 1 3.003 0.020 . 2 . . . . 178 ASN HB3 . 15676 1 492 . 1 1 93 93 ASN HD21 H 1 7.794 0.020 . 2 . . . . 178 ASN HD21 . 15676 1 493 . 1 1 93 93 ASN HD22 H 1 6.966 0.020 . 2 . . . . 178 ASN HD22 . 15676 1 494 . 1 1 93 93 ASN CA C 13 56.244 0.400 . 1 . . . . 178 ASN CA . 15676 1 495 . 1 1 93 93 ASN CB C 13 37.934 0.400 . 1 . . . . 178 ASN CB . 15676 1 496 . 1 1 93 93 ASN N N 15 116.474 0.400 . 1 . . . . 178 ASN N . 15676 1 497 . 1 1 93 93 ASN ND2 N 15 112.943 0.400 . 1 . . . . 178 ASN ND2 . 15676 1 498 . 1 1 94 94 CYS H H 1 8.133 0.020 . 1 . . . . 179 CYS H . 15676 1 499 . 1 1 94 94 CYS CA C 13 58.595 0.400 . 1 . . . . 179 CYS CA . 15676 1 500 . 1 1 94 94 CYS CB C 13 40.911 0.400 . 1 . . . . 179 CYS CB . 15676 1 501 . 1 1 94 94 CYS N N 15 120.418 0.400 . 1 . . . . 179 CYS N . 15676 1 502 . 1 1 95 95 VAL H H 1 9.280 0.020 . 1 . . . . 180 VAL H . 15676 1 503 . 1 1 95 95 VAL HA H 1 3.654 0.020 . 1 . . . . 180 VAL HA . 15676 1 504 . 1 1 95 95 VAL HB H 1 2.192 0.020 . 1 . . . . 180 VAL HB . 15676 1 505 . 1 1 95 95 VAL HG11 H 1 0.974 0.020 . 2 . . . . 180 VAL HG1 . 15676 1 506 . 1 1 95 95 VAL HG12 H 1 0.974 0.020 . 2 . . . . 180 VAL HG1 . 15676 1 507 . 1 1 95 95 VAL HG13 H 1 0.974 0.020 . 2 . . . . 180 VAL HG1 . 15676 1 508 . 1 1 95 95 VAL HG21 H 1 1.101 0.020 . 2 . . . . 180 VAL HG2 . 15676 1 509 . 1 1 95 95 VAL HG22 H 1 1.101 0.020 . 2 . . . . 180 VAL HG2 . 15676 1 510 . 1 1 95 95 VAL HG23 H 1 1.101 0.020 . 2 . . . . 180 VAL HG2 . 15676 1 511 . 1 1 95 95 VAL CA C 13 66.400 0.400 . 1 . . . . 180 VAL CA . 15676 1 512 . 1 1 95 95 VAL CB C 13 31.912 0.400 . 1 . . . . 180 VAL CB . 15676 1 513 . 1 1 95 95 VAL CG1 C 13 21.709 0.400 . 1 . . . . 180 VAL CG1 . 15676 1 514 . 1 1 95 95 VAL CG2 C 13 23.431 0.400 . 1 . . . . 180 VAL CG2 . 15676 1 515 . 1 1 95 95 VAL N N 15 125.212 0.400 . 1 . . . . 180 VAL N . 15676 1 516 . 1 1 96 96 ASN H H 1 7.696 0.020 . 1 . . . . 181 ASN H . 15676 1 517 . 1 1 96 96 ASN HA H 1 4.321 0.020 . 1 . . . . 181 ASN HA . 15676 1 518 . 1 1 96 96 ASN HB2 H 1 2.808 0.020 . 2 . . . . 181 ASN HB2 . 15676 1 519 . 1 1 96 96 ASN HB3 H 1 2.733 0.020 . 2 . . . . 181 ASN HB3 . 15676 1 520 . 1 1 96 96 ASN HD21 H 1 7.551 0.020 . 2 . . . . 181 ASN HD21 . 15676 1 521 . 1 1 96 96 ASN HD22 H 1 6.786 0.020 . 2 . . . . 181 ASN HD22 . 15676 1 522 . 1 1 96 96 ASN CA C 13 56.419 0.400 . 1 . . . . 181 ASN CA . 15676 1 523 . 1 1 96 96 ASN CB C 13 38.654 0.400 . 1 . . . . 181 ASN CB . 15676 1 524 . 1 1 96 96 ASN N N 15 115.816 0.400 . 1 . . . . 181 ASN N . 15676 1 525 . 1 1 96 96 ASN ND2 N 15 111.496 0.400 . 1 . . . . 181 ASN ND2 . 15676 1 526 . 1 1 97 97 ILE H H 1 8.385 0.020 . 1 . . . . 182 ILE H . 15676 1 527 . 1 1 97 97 ILE HA H 1 3.726 0.020 . 1 . . . . 182 ILE HA . 15676 1 528 . 1 1 97 97 ILE HB H 1 1.525 0.020 . 1 . . . . 182 ILE HB . 15676 1 529 . 1 1 97 97 ILE HD11 H 1 0.347 0.020 . 1 . . . . 182 ILE HD1 . 15676 1 530 . 1 1 97 97 ILE HD12 H 1 0.347 0.020 . 1 . . . . 182 ILE HD1 . 15676 1 531 . 1 1 97 97 ILE HD13 H 1 0.347 0.020 . 1 . . . . 182 ILE HD1 . 15676 1 532 . 1 1 97 97 ILE HG12 H 1 0.762 0.020 . 2 . . . . 182 ILE HG12 . 15676 1 533 . 1 1 97 97 ILE HG13 H 1 0.831 0.020 . 2 . . . . 182 ILE HG13 . 15676 1 534 . 1 1 97 97 ILE HG21 H 1 0.212 0.020 . 1 . . . . 182 ILE HG2 . 15676 1 535 . 1 1 97 97 ILE HG22 H 1 0.212 0.020 . 1 . . . . 182 ILE HG2 . 15676 1 536 . 1 1 97 97 ILE HG23 H 1 0.212 0.020 . 1 . . . . 182 ILE HG2 . 15676 1 537 . 1 1 97 97 ILE CA C 13 62.446 0.400 . 1 . . . . 182 ILE CA . 15676 1 538 . 1 1 97 97 ILE CB C 13 36.464 0.400 . 1 . . . . 182 ILE CB . 15676 1 539 . 1 1 97 97 ILE CD1 C 13 11.084 0.400 . 1 . . . . 182 ILE CD1 . 15676 1 540 . 1 1 97 97 ILE CG1 C 13 27.705 0.400 . 1 . . . . 182 ILE CG1 . 15676 1 541 . 1 1 97 97 ILE CG2 C 13 18.127 0.400 . 1 . . . . 182 ILE CG2 . 15676 1 542 . 1 1 97 97 ILE N N 15 118.191 0.400 . 1 . . . . 182 ILE N . 15676 1 543 . 1 1 98 98 THR H H 1 8.157 0.020 . 1 . . . . 183 THR H . 15676 1 544 . 1 1 98 98 THR HA H 1 4.078 0.020 . 1 . . . . 183 THR HA . 15676 1 545 . 1 1 98 98 THR HB H 1 4.490 0.020 . 1 . . . . 183 THR HB . 15676 1 546 . 1 1 98 98 THR HG21 H 1 1.510 0.020 . 1 . . . . 183 THR HG2 . 15676 1 547 . 1 1 98 98 THR HG22 H 1 1.510 0.020 . 1 . . . . 183 THR HG2 . 15676 1 548 . 1 1 98 98 THR HG23 H 1 1.510 0.020 . 1 . . . . 183 THR HG2 . 15676 1 549 . 1 1 98 98 THR CA C 13 68.807 0.400 . 1 . . . . 183 THR CA . 15676 1 550 . 1 1 98 98 THR CB C 13 68.239 0.400 . 1 . . . . 183 THR CB . 15676 1 551 . 1 1 98 98 THR CG2 C 13 22.136 0.400 . 1 . . . . 183 THR CG2 . 15676 1 552 . 1 1 98 98 THR N N 15 117.797 0.400 . 1 . . . . 183 THR N . 15676 1 553 . 1 1 99 99 ILE H H 1 8.528 0.020 . 1 . . . . 184 ILE H . 15676 1 554 . 1 1 99 99 ILE HA H 1 3.727 0.020 . 1 . . . . 184 ILE HA . 15676 1 555 . 1 1 99 99 ILE HB H 1 2.091 0.020 . 1 . . . . 184 ILE HB . 15676 1 556 . 1 1 99 99 ILE HD11 H 1 0.770 0.020 . 1 . . . . 184 ILE HD1 . 15676 1 557 . 1 1 99 99 ILE HD12 H 1 0.770 0.020 . 1 . . . . 184 ILE HD1 . 15676 1 558 . 1 1 99 99 ILE HD13 H 1 0.770 0.020 . 1 . . . . 184 ILE HD1 . 15676 1 559 . 1 1 99 99 ILE HG12 H 1 1.798 0.020 . 2 . . . . 184 ILE HG12 . 15676 1 560 . 1 1 99 99 ILE HG13 H 1 1.249 0.020 . 2 . . . . 184 ILE HG13 . 15676 1 561 . 1 1 99 99 ILE HG21 H 1 0.885 0.020 . 1 . . . . 184 ILE HG2 . 15676 1 562 . 1 1 99 99 ILE HG22 H 1 0.885 0.020 . 1 . . . . 184 ILE HG2 . 15676 1 563 . 1 1 99 99 ILE HG23 H 1 0.885 0.020 . 1 . . . . 184 ILE HG2 . 15676 1 564 . 1 1 99 99 ILE CA C 13 65.621 0.400 . 1 . . . . 184 ILE CA . 15676 1 565 . 1 1 99 99 ILE CB C 13 36.531 0.400 . 1 . . . . 184 ILE CB . 15676 1 566 . 1 1 99 99 ILE CD1 C 13 12.356 0.400 . 1 . . . . 184 ILE CD1 . 15676 1 567 . 1 1 99 99 ILE CG1 C 13 29.612 0.400 . 1 . . . . 184 ILE CG1 . 15676 1 568 . 1 1 99 99 ILE CG2 C 13 16.654 0.400 . 1 . . . . 184 ILE CG2 . 15676 1 569 . 1 1 99 99 ILE N N 15 120.576 0.400 . 1 . . . . 184 ILE N . 15676 1 570 . 1 1 100 100 LYS H H 1 7.953 0.020 . 1 . . . . 185 LYS H . 15676 1 571 . 1 1 100 100 LYS HA H 1 4.068 0.020 . 1 . . . . 185 LYS HA . 15676 1 572 . 1 1 100 100 LYS HB2 H 1 1.862 0.020 . 2 . . . . 185 LYS HB2 . 15676 1 573 . 1 1 100 100 LYS HB3 H 1 1.920 0.020 . 2 . . . . 185 LYS HB3 . 15676 1 574 . 1 1 100 100 LYS HD2 H 1 1.600 0.020 . 2 . . . . 185 LYS HD2 . 15676 1 575 . 1 1 100 100 LYS HD3 H 1 1.600 0.020 . 2 . . . . 185 LYS HD3 . 15676 1 576 . 1 1 100 100 LYS HE2 H 1 2.891 0.020 . 2 . . . . 185 LYS HE2 . 15676 1 577 . 1 1 100 100 LYS HE3 H 1 2.891 0.020 . 2 . . . . 185 LYS HE3 . 15676 1 578 . 1 1 100 100 LYS HG2 H 1 1.483 0.020 . 2 . . . . 185 LYS HG2 . 15676 1 579 . 1 1 100 100 LYS HG3 H 1 1.483 0.020 . 2 . . . . 185 LYS HG3 . 15676 1 580 . 1 1 100 100 LYS CA C 13 59.636 0.400 . 1 . . . . 185 LYS CA . 15676 1 581 . 1 1 100 100 LYS CB C 13 31.989 0.400 . 1 . . . . 185 LYS CB . 15676 1 582 . 1 1 100 100 LYS CD C 13 29.190 0.400 . 1 . . . . 185 LYS CD . 15676 1 583 . 1 1 100 100 LYS CE C 13 41.962 0.400 . 1 . . . . 185 LYS CE . 15676 1 584 . 1 1 100 100 LYS CG C 13 25.002 0.400 . 1 . . . . 185 LYS CG . 15676 1 585 . 1 1 100 100 LYS N N 15 122.562 0.400 . 1 . . . . 185 LYS N . 15676 1 586 . 1 1 101 101 GLN H H 1 8.376 0.020 . 1 . . . . 186 GLN H . 15676 1 587 . 1 1 101 101 GLN HE21 H 1 6.792 0.020 . 2 . . . . 186 GLN HE21 . 15676 1 588 . 1 1 101 101 GLN HE22 H 1 6.685 0.020 . 2 . . . . 186 GLN HE22 . 15676 1 589 . 1 1 101 101 GLN CA C 13 57.741 0.400 . 1 . . . . 186 GLN CA . 15676 1 590 . 1 1 101 101 GLN N N 15 116.213 0.400 . 1 . . . . 186 GLN N . 15676 1 591 . 1 1 101 101 GLN NE2 N 15 109.931 0.400 . 1 . . . . 186 GLN NE2 . 15676 1 592 . 1 1 102 102 HIS H H 1 8.199 0.020 . 1 . . . . 187 HIS H . 15676 1 593 . 1 1 102 102 HIS HA H 1 4.593 0.020 . 1 . . . . 187 HIS HA . 15676 1 594 . 1 1 102 102 HIS HB2 H 1 3.300 0.020 . 2 . . . . 187 HIS HB2 . 15676 1 595 . 1 1 102 102 HIS HB3 H 1 3.300 0.020 . 2 . . . . 187 HIS HB3 . 15676 1 596 . 1 1 102 102 HIS CA C 13 59.062 0.400 . 1 . . . . 187 HIS CA . 15676 1 597 . 1 1 102 102 HIS CB C 13 30.384 0.400 . 1 . . . . 187 HIS CB . 15676 1 598 . 1 1 102 102 HIS N N 15 118.199 0.400 . 1 . . . . 187 HIS N . 15676 1 599 . 1 1 103 103 THR H H 1 8.245 0.020 . 1 . . . . 188 THR H . 15676 1 600 . 1 1 103 103 THR HA H 1 4.184 0.020 . 1 . . . . 188 THR HA . 15676 1 601 . 1 1 103 103 THR HB H 1 4.426 0.020 . 1 . . . . 188 THR HB . 15676 1 602 . 1 1 103 103 THR HG21 H 1 1.248 0.020 . 1 . . . . 188 THR HG2 . 15676 1 603 . 1 1 103 103 THR HG22 H 1 1.248 0.020 . 1 . . . . 188 THR HG2 . 15676 1 604 . 1 1 103 103 THR HG23 H 1 1.248 0.020 . 1 . . . . 188 THR HG2 . 15676 1 605 . 1 1 103 103 THR CA C 13 65.017 0.400 . 1 . . . . 188 THR CA . 15676 1 606 . 1 1 103 103 THR CB C 13 69.167 0.400 . 1 . . . . 188 THR CB . 15676 1 607 . 1 1 103 103 THR CG2 C 13 21.526 0.400 . 1 . . . . 188 THR CG2 . 15676 1 608 . 1 1 103 103 THR N N 15 113.748 0.400 . 1 . . . . 188 THR N . 15676 1 609 . 1 1 104 104 VAL H H 1 8.013 0.020 . 1 . . . . 189 VAL H . 15676 1 610 . 1 1 104 104 VAL HA H 1 4.004 0.020 . 1 . . . . 189 VAL HA . 15676 1 611 . 1 1 104 104 VAL HB H 1 2.222 0.020 . 1 . . . . 189 VAL HB . 15676 1 612 . 1 1 104 104 VAL HG11 H 1 1.026 0.020 . 2 . . . . 189 VAL HG1 . 15676 1 613 . 1 1 104 104 VAL HG12 H 1 1.026 0.020 . 2 . . . . 189 VAL HG1 . 15676 1 614 . 1 1 104 104 VAL HG13 H 1 1.026 0.020 . 2 . . . . 189 VAL HG1 . 15676 1 615 . 1 1 104 104 VAL HG21 H 1 0.956 0.020 . 2 . . . . 189 VAL HG2 . 15676 1 616 . 1 1 104 104 VAL HG22 H 1 0.956 0.020 . 2 . . . . 189 VAL HG2 . 15676 1 617 . 1 1 104 104 VAL HG23 H 1 0.956 0.020 . 2 . . . . 189 VAL HG2 . 15676 1 618 . 1 1 104 104 VAL CA C 13 65.151 0.400 . 1 . . . . 189 VAL CA . 15676 1 619 . 1 1 104 104 VAL CB C 13 31.743 0.400 . 1 . . . . 189 VAL CB . 15676 1 620 . 1 1 104 104 VAL CG1 C 13 21.399 0.400 . 1 . . . . 189 VAL CG1 . 15676 1 621 . 1 1 104 104 VAL CG2 C 13 20.963 0.400 . 1 . . . . 189 VAL CG2 . 15676 1 622 . 1 1 104 104 VAL N N 15 122.142 0.400 . 1 . . . . 189 VAL N . 15676 1 623 . 1 1 105 105 THR H H 1 8.092 0.020 . 1 . . . . 190 THR H . 15676 1 624 . 1 1 105 105 THR HA H 1 4.250 0.020 . 1 . . . . 190 THR HA . 15676 1 625 . 1 1 105 105 THR HB H 1 4.595 0.020 . 1 . . . . 190 THR HB . 15676 1 626 . 1 1 105 105 THR HG21 H 1 1.271 0.020 . 1 . . . . 190 THR HG2 . 15676 1 627 . 1 1 105 105 THR HG22 H 1 1.271 0.020 . 1 . . . . 190 THR HG2 . 15676 1 628 . 1 1 105 105 THR HG23 H 1 1.271 0.020 . 1 . . . . 190 THR HG2 . 15676 1 629 . 1 1 105 105 THR CA C 13 64.314 0.400 . 1 . . . . 190 THR CA . 15676 1 630 . 1 1 105 105 THR CB C 13 69.159 0.400 . 1 . . . . 190 THR CB . 15676 1 631 . 1 1 105 105 THR CG2 C 13 21.797 0.400 . 1 . . . . 190 THR CG2 . 15676 1 632 . 1 1 105 105 THR N N 15 115.022 0.400 . 1 . . . . 190 THR N . 15676 1 633 . 1 1 106 106 THR H H 1 8.017 0.020 . 1 . . . . 191 THR H . 15676 1 634 . 1 1 106 106 THR HA H 1 4.214 0.020 . 1 . . . . 191 THR HA . 15676 1 635 . 1 1 106 106 THR HB H 1 4.740 0.020 . 1 . . . . 191 THR HB . 15676 1 636 . 1 1 106 106 THR HG21 H 1 1.025 0.020 . 1 . . . . 191 THR HG2 . 15676 1 637 . 1 1 106 106 THR HG22 H 1 1.025 0.020 . 1 . . . . 191 THR HG2 . 15676 1 638 . 1 1 106 106 THR HG23 H 1 1.025 0.020 . 1 . . . . 191 THR HG2 . 15676 1 639 . 1 1 106 106 THR CA C 13 63.874 0.400 . 1 . . . . 191 THR CA . 15676 1 640 . 1 1 106 106 THR CB C 13 69.009 0.400 . 1 . . . . 191 THR CB . 15676 1 641 . 1 1 106 106 THR CG2 C 13 21.369 0.400 . 1 . . . . 191 THR CG2 . 15676 1 642 . 1 1 106 106 THR N N 15 114.622 0.400 . 1 . . . . 191 THR N . 15676 1 643 . 1 1 107 107 THR H H 1 8.194 0.020 . 1 . . . . 192 THR H . 15676 1 644 . 1 1 107 107 THR CA C 13 64.201 0.400 . 1 . . . . 192 THR CA . 15676 1 645 . 1 1 107 107 THR CB C 13 69.159 0.400 . 1 . . . . 192 THR CB . 15676 1 646 . 1 1 107 107 THR CG2 C 13 21.489 0.400 . 1 . . . . 192 THR CG2 . 15676 1 647 . 1 1 107 107 THR N N 15 116.611 0.400 . 1 . . . . 192 THR N . 15676 1 648 . 1 1 108 108 THR H H 1 7.932 0.020 . 1 . . . . 193 THR H . 15676 1 649 . 1 1 108 108 THR CA C 13 63.871 0.400 . 1 . . . . 193 THR CA . 15676 1 650 . 1 1 108 108 THR CB C 13 69.002 0.400 . 1 . . . . 193 THR CB . 15676 1 651 . 1 1 108 108 THR CG2 C 13 21.686 0.400 . 1 . . . . 193 THR CG2 . 15676 1 652 . 1 1 108 108 THR N N 15 116.096 0.400 . 1 . . . . 193 THR N . 15676 1 653 . 1 1 109 109 LYS H H 1 7.821 0.020 . 1 . . . . 194 LYS H . 15676 1 654 . 1 1 109 109 LYS HA H 1 4.364 0.020 . 1 . . . . 194 LYS HA . 15676 1 655 . 1 1 109 109 LYS HB2 H 1 1.952 0.020 . 2 . . . . 194 LYS HB2 . 15676 1 656 . 1 1 109 109 LYS HB3 H 1 1.829 0.020 . 2 . . . . 194 LYS HB3 . 15676 1 657 . 1 1 109 109 LYS HD2 H 1 1.679 0.020 . 2 . . . . 194 LYS HD2 . 15676 1 658 . 1 1 109 109 LYS HD3 H 1 1.679 0.020 . 2 . . . . 194 LYS HD3 . 15676 1 659 . 1 1 109 109 LYS HE2 H 1 2.961 0.020 . 2 . . . . 194 LYS HE2 . 15676 1 660 . 1 1 109 109 LYS HE3 H 1 2.961 0.020 . 2 . . . . 194 LYS HE3 . 15676 1 661 . 1 1 109 109 LYS HG2 H 1 1.497 0.020 . 2 . . . . 194 LYS HG2 . 15676 1 662 . 1 1 109 109 LYS HG3 H 1 1.497 0.020 . 2 . . . . 194 LYS HG3 . 15676 1 663 . 1 1 109 109 LYS CA C 13 56.285 0.400 . 1 . . . . 194 LYS CA . 15676 1 664 . 1 1 109 109 LYS CB C 13 32.636 0.400 . 1 . . . . 194 LYS CB . 15676 1 665 . 1 1 109 109 LYS CD C 13 29.180 0.400 . 1 . . . . 194 LYS CD . 15676 1 666 . 1 1 109 109 LYS CE C 13 42.218 0.400 . 1 . . . . 194 LYS CE . 15676 1 667 . 1 1 109 109 LYS CG C 13 24.860 0.400 . 1 . . . . 194 LYS CG . 15676 1 668 . 1 1 109 109 LYS N N 15 120.975 0.400 . 1 . . . . 194 LYS N . 15676 1 669 . 1 1 110 110 GLY H H 1 8.109 0.020 . 1 . . . . 195 GLY H . 15676 1 670 . 1 1 110 110 GLY HA2 H 1 3.858 0.020 . 2 . . . . 195 GLY HA2 . 15676 1 671 . 1 1 110 110 GLY HA3 H 1 4.083 0.020 . 2 . . . . 195 GLY HA3 . 15676 1 672 . 1 1 110 110 GLY CA C 13 45.511 0.400 . 1 . . . . 195 GLY CA . 15676 1 673 . 1 1 110 110 GLY N N 15 108.675 0.400 . 1 . . . . 195 GLY N . 15676 1 674 . 1 1 111 111 GLU H H 1 7.706 0.020 . 1 . . . . 196 GLU H . 15676 1 675 . 1 1 111 111 GLU HA H 1 4.258 0.020 . 1 . . . . 196 GLU HA . 15676 1 676 . 1 1 111 111 GLU HB2 H 1 1.657 0.020 . 2 . . . . 196 GLU HB2 . 15676 1 677 . 1 1 111 111 GLU HB3 H 1 1.657 0.020 . 2 . . . . 196 GLU HB3 . 15676 1 678 . 1 1 111 111 GLU HG2 H 1 2.110 0.020 . 2 . . . . 196 GLU HG2 . 15676 1 679 . 1 1 111 111 GLU HG3 H 1 2.052 0.020 . 2 . . . . 196 GLU HG3 . 15676 1 680 . 1 1 111 111 GLU CA C 13 55.837 0.400 . 1 . . . . 196 GLU CA . 15676 1 681 . 1 1 111 111 GLU CB C 13 30.673 0.400 . 1 . . . . 196 GLU CB . 15676 1 682 . 1 1 111 111 GLU CG C 13 35.495 0.400 . 1 . . . . 196 GLU CG . 15676 1 683 . 1 1 111 111 GLU N N 15 120.028 0.400 . 1 . . . . 196 GLU N . 15676 1 684 . 1 1 112 112 ASN H H 1 8.460 0.020 . 1 . . . . 197 ASN H . 15676 1 685 . 1 1 112 112 ASN HA H 1 4.668 0.020 . 1 . . . . 197 ASN HA . 15676 1 686 . 1 1 112 112 ASN HB2 H 1 2.674 0.020 . 2 . . . . 197 ASN HB2 . 15676 1 687 . 1 1 112 112 ASN HB3 H 1 2.613 0.020 . 2 . . . . 197 ASN HB3 . 15676 1 688 . 1 1 112 112 ASN HD21 H 1 7.538 0.020 . 2 . . . . 197 ASN HD21 . 15676 1 689 . 1 1 112 112 ASN HD22 H 1 6.827 0.020 . 2 . . . . 197 ASN HD22 . 15676 1 690 . 1 1 112 112 ASN CA C 13 52.923 0.400 . 1 . . . . 197 ASN CA . 15676 1 691 . 1 1 112 112 ASN CB C 13 40.491 0.400 . 1 . . . . 197 ASN CB . 15676 1 692 . 1 1 112 112 ASN N N 15 119.716 0.400 . 1 . . . . 197 ASN N . 15676 1 693 . 1 1 112 112 ASN ND2 N 15 113.003 0.400 . 1 . . . . 197 ASN ND2 . 15676 1 694 . 1 1 113 113 PHE H H 1 8.655 0.020 . 1 . . . . 198 PHE H . 15676 1 695 . 1 1 113 113 PHE HA H 1 5.262 0.020 . 1 . . . . 198 PHE HA . 15676 1 696 . 1 1 113 113 PHE HB2 H 1 3.173 0.020 . 2 . . . . 198 PHE HB2 . 15676 1 697 . 1 1 113 113 PHE HB3 H 1 2.977 0.020 . 2 . . . . 198 PHE HB3 . 15676 1 698 . 1 1 113 113 PHE CA C 13 56.640 0.400 . 1 . . . . 198 PHE CA . 15676 1 699 . 1 1 113 113 PHE CB C 13 39.899 0.400 . 1 . . . . 198 PHE CB . 15676 1 700 . 1 1 113 113 PHE N N 15 122.046 0.400 . 1 . . . . 198 PHE N . 15676 1 701 . 1 1 114 114 THR H H 1 9.506 0.020 . 1 . . . . 199 THR H . 15676 1 702 . 1 1 114 114 THR HA H 1 4.625 0.020 . 1 . . . . 199 THR HA . 15676 1 703 . 1 1 114 114 THR HB H 1 4.842 0.020 . 1 . . . . 199 THR HB . 15676 1 704 . 1 1 114 114 THR HG21 H 1 1.426 0.020 . 1 . . . . 199 THR HG2 . 15676 1 705 . 1 1 114 114 THR HG22 H 1 1.426 0.020 . 1 . . . . 199 THR HG2 . 15676 1 706 . 1 1 114 114 THR HG23 H 1 1.426 0.020 . 1 . . . . 199 THR HG2 . 15676 1 707 . 1 1 114 114 THR CA C 13 60.305 0.400 . 1 . . . . 199 THR CA . 15676 1 708 . 1 1 114 114 THR CB C 13 72.033 0.400 . 1 . . . . 199 THR CB . 15676 1 709 . 1 1 114 114 THR CG2 C 13 21.604 0.400 . 1 . . . . 199 THR CG2 . 15676 1 710 . 1 1 114 114 THR N N 15 116.124 0.400 . 1 . . . . 199 THR N . 15676 1 711 . 1 1 115 115 GLU H H 1 9.120 0.020 . 1 . . . . 200 GLU H . 15676 1 712 . 1 1 115 115 GLU HA H 1 4.051 0.020 . 1 . . . . 200 GLU HA . 15676 1 713 . 1 1 115 115 GLU HB2 H 1 2.112 0.020 . 2 . . . . 200 GLU HB2 . 15676 1 714 . 1 1 115 115 GLU HB3 H 1 2.053 0.020 . 2 . . . . 200 GLU HB3 . 15676 1 715 . 1 1 115 115 GLU HG2 H 1 2.400 0.020 . 2 . . . . 200 GLU HG2 . 15676 1 716 . 1 1 115 115 GLU HG3 H 1 2.332 0.020 . 2 . . . . 200 GLU HG3 . 15676 1 717 . 1 1 115 115 GLU CA C 13 59.877 0.400 . 1 . . . . 200 GLU CA . 15676 1 718 . 1 1 115 115 GLU CB C 13 28.787 0.400 . 1 . . . . 200 GLU CB . 15676 1 719 . 1 1 115 115 GLU CG C 13 35.856 0.400 . 1 . . . . 200 GLU CG . 15676 1 720 . 1 1 115 115 GLU N N 15 119.993 0.400 . 1 . . . . 200 GLU N . 15676 1 721 . 1 1 116 116 THR H H 1 7.955 0.020 . 1 . . . . 201 THR H . 15676 1 722 . 1 1 116 116 THR HA H 1 3.794 0.020 . 1 . . . . 201 THR HA . 15676 1 723 . 1 1 116 116 THR HB H 1 3.721 0.020 . 1 . . . . 201 THR HB . 15676 1 724 . 1 1 116 116 THR HG21 H 1 0.703 0.020 . 1 . . . . 201 THR HG2 . 15676 1 725 . 1 1 116 116 THR HG22 H 1 0.703 0.020 . 1 . . . . 201 THR HG2 . 15676 1 726 . 1 1 116 116 THR HG23 H 1 0.703 0.020 . 1 . . . . 201 THR HG2 . 15676 1 727 . 1 1 116 116 THR CA C 13 66.734 0.400 . 1 . . . . 201 THR CA . 15676 1 728 . 1 1 116 116 THR CB C 13 68.624 0.400 . 1 . . . . 201 THR CB . 15676 1 729 . 1 1 116 116 THR CG2 C 13 20.934 0.400 . 1 . . . . 201 THR CG2 . 15676 1 730 . 1 1 116 116 THR N N 15 116.160 0.400 . 1 . . . . 201 THR N . 15676 1 731 . 1 1 117 117 ASP H H 1 7.505 0.020 . 1 . . . . 202 ASP H . 15676 1 732 . 1 1 117 117 ASP HA H 1 4.577 0.020 . 1 . . . . 202 ASP HA . 15676 1 733 . 1 1 117 117 ASP HB2 H 1 3.328 0.020 . 2 . . . . 202 ASP HB2 . 15676 1 734 . 1 1 117 117 ASP HB3 H 1 2.567 0.020 . 2 . . . . 202 ASP HB3 . 15676 1 735 . 1 1 117 117 ASP CA C 13 58.057 0.400 . 1 . . . . 202 ASP CA . 15676 1 736 . 1 1 117 117 ASP CB C 13 41.747 0.400 . 1 . . . . 202 ASP CB . 15676 1 737 . 1 1 117 117 ASP N N 15 120.175 0.400 . 1 . . . . 202 ASP N . 15676 1 738 . 1 1 118 118 VAL H H 1 8.236 0.020 . 1 . . . . 203 VAL H . 15676 1 739 . 1 1 118 118 VAL HA H 1 3.324 0.020 . 1 . . . . 203 VAL HA . 15676 1 740 . 1 1 118 118 VAL HB H 1 2.122 0.020 . 1 . . . . 203 VAL HB . 15676 1 741 . 1 1 118 118 VAL HG11 H 1 0.998 0.020 . 2 . . . . 203 VAL HG1 . 15676 1 742 . 1 1 118 118 VAL HG12 H 1 0.998 0.020 . 2 . . . . 203 VAL HG1 . 15676 1 743 . 1 1 118 118 VAL HG13 H 1 0.998 0.020 . 2 . . . . 203 VAL HG1 . 15676 1 744 . 1 1 118 118 VAL HG21 H 1 0.905 0.020 . 2 . . . . 203 VAL HG2 . 15676 1 745 . 1 1 118 118 VAL HG22 H 1 0.905 0.020 . 2 . . . . 203 VAL HG2 . 15676 1 746 . 1 1 118 118 VAL HG23 H 1 0.905 0.020 . 2 . . . . 203 VAL HG2 . 15676 1 747 . 1 1 118 118 VAL CA C 13 67.799 0.400 . 1 . . . . 203 VAL CA . 15676 1 748 . 1 1 118 118 VAL CB C 13 31.269 0.400 . 1 . . . . 203 VAL CB . 15676 1 749 . 1 1 118 118 VAL CG1 C 13 22.645 0.400 . 1 . . . . 203 VAL CG1 . 15676 1 750 . 1 1 118 118 VAL CG2 C 13 21.000 0.400 . 1 . . . . 203 VAL CG2 . 15676 1 751 . 1 1 118 118 VAL N N 15 119.654 0.400 . 1 . . . . 203 VAL N . 15676 1 752 . 1 1 119 119 LYS H H 1 7.740 0.020 . 1 . . . . 204 LYS H . 15676 1 753 . 1 1 119 119 LYS HA H 1 4.090 0.020 . 1 . . . . 204 LYS HA . 15676 1 754 . 1 1 119 119 LYS HB2 H 1 1.948 0.020 . 2 . . . . 204 LYS HB2 . 15676 1 755 . 1 1 119 119 LYS HB3 H 1 1.918 0.020 . 2 . . . . 204 LYS HB3 . 15676 1 756 . 1 1 119 119 LYS HD2 H 1 1.647 0.020 . 2 . . . . 204 LYS HD2 . 15676 1 757 . 1 1 119 119 LYS HD3 H 1 1.647 0.020 . 2 . . . . 204 LYS HD3 . 15676 1 758 . 1 1 119 119 LYS HE2 H 1 2.868 0.020 . 2 . . . . 204 LYS HE2 . 15676 1 759 . 1 1 119 119 LYS HE3 H 1 2.868 0.020 . 2 . . . . 204 LYS HE3 . 15676 1 760 . 1 1 119 119 LYS HG2 H 1 1.625 0.020 . 2 . . . . 204 LYS HG2 . 15676 1 761 . 1 1 119 119 LYS HG3 H 1 1.439 0.020 . 2 . . . . 204 LYS HG3 . 15676 1 762 . 1 1 119 119 LYS CA C 13 59.368 0.400 . 1 . . . . 204 LYS CA . 15676 1 763 . 1 1 119 119 LYS CB C 13 32.165 0.400 . 1 . . . . 204 LYS CB . 15676 1 764 . 1 1 119 119 LYS CD C 13 29.259 0.400 . 1 . . . . 204 LYS CD . 15676 1 765 . 1 1 119 119 LYS CE C 13 41.983 0.400 . 1 . . . . 204 LYS CE . 15676 1 766 . 1 1 119 119 LYS CG C 13 24.979 0.400 . 1 . . . . 204 LYS CG . 15676 1 767 . 1 1 119 119 LYS N N 15 119.288 0.400 . 1 . . . . 204 LYS N . 15676 1 768 . 1 1 120 120 MET H H 1 8.235 0.020 . 1 . . . . 205 MET H . 15676 1 769 . 1 1 120 120 MET HA H 1 4.158 0.020 . 1 . . . . 205 MET HA . 15676 1 770 . 1 1 120 120 MET HB2 H 1 2.463 0.020 . 2 . . . . 205 MET HB2 . 15676 1 771 . 1 1 120 120 MET HB3 H 1 1.956 0.020 . 2 . . . . 205 MET HB3 . 15676 1 772 . 1 1 120 120 MET HE1 H 1 1.483 0.020 . 1 . . . . 205 MET HE . 15676 1 773 . 1 1 120 120 MET HE2 H 1 1.483 0.020 . 1 . . . . 205 MET HE . 15676 1 774 . 1 1 120 120 MET HE3 H 1 1.483 0.020 . 1 . . . . 205 MET HE . 15676 1 775 . 1 1 120 120 MET HG2 H 1 2.924 0.020 . 2 . . . . 205 MET HG2 . 15676 1 776 . 1 1 120 120 MET HG3 H 1 2.192 0.020 . 2 . . . . 205 MET HG3 . 15676 1 777 . 1 1 120 120 MET CA C 13 59.819 0.400 . 1 . . . . 205 MET CA . 15676 1 778 . 1 1 120 120 MET CB C 13 33.078 0.400 . 1 . . . . 205 MET CB . 15676 1 779 . 1 1 120 120 MET CE C 13 17.981 0.400 . 1 . . . . 205 MET CE . 15676 1 780 . 1 1 120 120 MET CG C 13 33.983 0.400 . 1 . . . . 205 MET CG . 15676 1 781 . 1 1 120 120 MET N N 15 118.767 0.400 . 1 . . . . 205 MET N . 15676 1 782 . 1 1 121 121 MET H H 1 8.755 0.020 . 1 . . . . 206 MET H . 15676 1 783 . 1 1 121 121 MET HA H 1 3.580 0.020 . 1 . . . . 206 MET HA . 15676 1 784 . 1 1 121 121 MET HB2 H 1 1.734 0.020 . 2 . . . . 206 MET HB2 . 15676 1 785 . 1 1 121 121 MET HB3 H 1 1.560 0.020 . 2 . . . . 206 MET HB3 . 15676 1 786 . 1 1 121 121 MET HE1 H 1 1.418 0.020 . 1 . . . . 206 MET HE . 15676 1 787 . 1 1 121 121 MET HE2 H 1 1.418 0.020 . 1 . . . . 206 MET HE . 15676 1 788 . 1 1 121 121 MET HE3 H 1 1.418 0.020 . 1 . . . . 206 MET HE . 15676 1 789 . 1 1 121 121 MET HG2 H 1 1.854 0.020 . 2 . . . . 206 MET HG2 . 15676 1 790 . 1 1 121 121 MET HG3 H 1 1.854 0.020 . 2 . . . . 206 MET HG3 . 15676 1 791 . 1 1 121 121 MET CA C 13 59.639 0.400 . 1 . . . . 206 MET CA . 15676 1 792 . 1 1 121 121 MET CB C 13 32.777 0.400 . 1 . . . . 206 MET CB . 15676 1 793 . 1 1 121 121 MET CE C 13 15.850 0.400 . 1 . . . . 206 MET CE . 15676 1 794 . 1 1 121 121 MET CG C 13 33.949 0.400 . 1 . . . . 206 MET CG . 15676 1 795 . 1 1 121 121 MET N N 15 118.428 0.400 . 1 . . . . 206 MET N . 15676 1 796 . 1 1 122 122 GLU H H 1 8.419 0.020 . 1 . . . . 207 GLU H . 15676 1 797 . 1 1 122 122 GLU HA H 1 3.688 0.020 . 1 . . . . 207 GLU HA . 15676 1 798 . 1 1 122 122 GLU HB2 H 1 2.214 0.020 . 2 . . . . 207 GLU HB2 . 15676 1 799 . 1 1 122 122 GLU HB3 H 1 2.062 0.020 . 2 . . . . 207 GLU HB3 . 15676 1 800 . 1 1 122 122 GLU HG2 H 1 2.545 0.020 . 2 . . . . 207 GLU HG2 . 15676 1 801 . 1 1 122 122 GLU HG3 H 1 2.162 0.020 . 2 . . . . 207 GLU HG3 . 15676 1 802 . 1 1 122 122 GLU CA C 13 60.390 0.400 . 1 . . . . 207 GLU CA . 15676 1 803 . 1 1 122 122 GLU CB C 13 28.448 0.400 . 1 . . . . 207 GLU CB . 15676 1 804 . 1 1 122 122 GLU CG C 13 35.179 0.400 . 1 . . . . 207 GLU CG . 15676 1 805 . 1 1 122 122 GLU N N 15 118.469 0.400 . 1 . . . . 207 GLU N . 15676 1 806 . 1 1 123 123 ARG H H 1 7.344 0.020 . 1 . . . . 208 ARG H . 15676 1 807 . 1 1 123 123 ARG HA H 1 4.163 0.020 . 1 . . . . 208 ARG HA . 15676 1 808 . 1 1 123 123 ARG HB2 H 1 1.948 0.020 . 2 . . . . 208 ARG HB2 . 15676 1 809 . 1 1 123 123 ARG HB3 H 1 1.948 0.020 . 2 . . . . 208 ARG HB3 . 15676 1 810 . 1 1 123 123 ARG HD2 H 1 3.258 0.020 . 2 . . . . 208 ARG HD2 . 15676 1 811 . 1 1 123 123 ARG HD3 H 1 3.163 0.020 . 2 . . . . 208 ARG HD3 . 15676 1 812 . 1 1 123 123 ARG HE H 1 7.292 0.020 . 1 . . . . 208 ARG HE . 15676 1 813 . 1 1 123 123 ARG HG2 H 1 1.830 0.020 . 2 . . . . 208 ARG HG2 . 15676 1 814 . 1 1 123 123 ARG HG3 H 1 1.714 0.020 . 2 . . . . 208 ARG HG3 . 15676 1 815 . 1 1 123 123 ARG CA C 13 58.537 0.400 . 1 . . . . 208 ARG CA . 15676 1 816 . 1 1 123 123 ARG CB C 13 29.925 0.400 . 1 . . . . 208 ARG CB . 15676 1 817 . 1 1 123 123 ARG CD C 13 42.502 0.400 . 1 . . . . 208 ARG CD . 15676 1 818 . 1 1 123 123 ARG CG C 13 26.953 0.400 . 1 . . . . 208 ARG CG . 15676 1 819 . 1 1 123 123 ARG N N 15 116.990 0.400 . 1 . . . . 208 ARG N . 15676 1 820 . 1 1 123 123 ARG NE N 15 83.408 0.400 . 1 . . . . 208 ARG NE . 15676 1 821 . 1 1 124 124 VAL H H 1 8.299 0.020 . 1 . . . . 209 VAL H . 15676 1 822 . 1 1 124 124 VAL HA H 1 3.798 0.020 . 1 . . . . 209 VAL HA . 15676 1 823 . 1 1 124 124 VAL HB H 1 2.327 0.020 . 1 . . . . 209 VAL HB . 15676 1 824 . 1 1 124 124 VAL HG11 H 1 1.314 0.020 . 2 . . . . 209 VAL HG1 . 15676 1 825 . 1 1 124 124 VAL HG12 H 1 1.314 0.020 . 2 . . . . 209 VAL HG1 . 15676 1 826 . 1 1 124 124 VAL HG13 H 1 1.314 0.020 . 2 . . . . 209 VAL HG1 . 15676 1 827 . 1 1 124 124 VAL HG21 H 1 1.267 0.020 . 2 . . . . 209 VAL HG2 . 15676 1 828 . 1 1 124 124 VAL HG22 H 1 1.267 0.020 . 2 . . . . 209 VAL HG2 . 15676 1 829 . 1 1 124 124 VAL HG23 H 1 1.267 0.020 . 2 . . . . 209 VAL HG2 . 15676 1 830 . 1 1 124 124 VAL CA C 13 65.995 0.400 . 1 . . . . 209 VAL CA . 15676 1 831 . 1 1 124 124 VAL CB C 13 32.075 0.400 . 1 . . . . 209 VAL CB . 15676 1 832 . 1 1 124 124 VAL CG1 C 13 23.986 0.400 . 1 . . . . 209 VAL CG1 . 15676 1 833 . 1 1 124 124 VAL CG2 C 13 20.909 0.400 . 1 . . . . 209 VAL CG2 . 15676 1 834 . 1 1 124 124 VAL N N 15 119.301 0.400 . 1 . . . . 209 VAL N . 15676 1 835 . 1 1 125 125 VAL H H 1 9.016 0.020 . 1 . . . . 210 VAL H . 15676 1 836 . 1 1 125 125 VAL HA H 1 3.643 0.020 . 1 . . . . 210 VAL HA . 15676 1 837 . 1 1 125 125 VAL HB H 1 2.259 0.020 . 1 . . . . 210 VAL HB . 15676 1 838 . 1 1 125 125 VAL HG11 H 1 1.236 0.020 . 2 . . . . 210 VAL HG1 . 15676 1 839 . 1 1 125 125 VAL HG12 H 1 1.236 0.020 . 2 . . . . 210 VAL HG1 . 15676 1 840 . 1 1 125 125 VAL HG13 H 1 1.236 0.020 . 2 . . . . 210 VAL HG1 . 15676 1 841 . 1 1 125 125 VAL HG21 H 1 0.971 0.020 . 2 . . . . 210 VAL HG2 . 15676 1 842 . 1 1 125 125 VAL HG22 H 1 0.971 0.020 . 2 . . . . 210 VAL HG2 . 15676 1 843 . 1 1 125 125 VAL HG23 H 1 0.971 0.020 . 2 . . . . 210 VAL HG2 . 15676 1 844 . 1 1 125 125 VAL CA C 13 66.591 0.400 . 1 . . . . 210 VAL CA . 15676 1 845 . 1 1 125 125 VAL CB C 13 31.836 0.400 . 1 . . . . 210 VAL CB . 15676 1 846 . 1 1 125 125 VAL CG1 C 13 24.419 0.400 . 1 . . . . 210 VAL CG1 . 15676 1 847 . 1 1 125 125 VAL CG2 C 13 24.123 0.400 . 1 . . . . 210 VAL CG2 . 15676 1 848 . 1 1 125 125 VAL N N 15 121.312 0.400 . 1 . . . . 210 VAL N . 15676 1 849 . 1 1 126 126 GLU H H 1 8.153 0.020 . 1 . . . . 211 GLU H . 15676 1 850 . 1 1 126 126 GLU HA H 1 3.622 0.020 . 1 . . . . 211 GLU HA . 15676 1 851 . 1 1 126 126 GLU HB2 H 1 2.161 0.020 . 2 . . . . 211 GLU HB2 . 15676 1 852 . 1 1 126 126 GLU HB3 H 1 2.161 0.020 . 2 . . . . 211 GLU HB3 . 15676 1 853 . 1 1 126 126 GLU HG2 H 1 2.251 0.020 . 2 . . . . 211 GLU HG2 . 15676 1 854 . 1 1 126 126 GLU HG3 H 1 2.251 0.020 . 2 . . . . 211 GLU HG3 . 15676 1 855 . 1 1 126 126 GLU CA C 13 60.997 0.400 . 1 . . . . 211 GLU CA . 15676 1 856 . 1 1 126 126 GLU CB C 13 28.921 0.400 . 1 . . . . 211 GLU CB . 15676 1 857 . 1 1 126 126 GLU CG C 13 35.846 0.400 . 1 . . . . 211 GLU CG . 15676 1 858 . 1 1 126 126 GLU N N 15 120.456 0.400 . 1 . . . . 211 GLU N . 15676 1 859 . 1 1 127 127 GLN H H 1 7.274 0.020 . 1 . . . . 212 GLN H . 15676 1 860 . 1 1 127 127 GLN HE21 H 1 7.330 0.020 . 2 . . . . 212 GLN HE21 . 15676 1 861 . 1 1 127 127 GLN HE22 H 1 6.631 0.020 . 2 . . . . 212 GLN HE22 . 15676 1 862 . 1 1 127 127 GLN CA C 13 58.803 0.400 . 1 . . . . 212 GLN CA . 15676 1 863 . 1 1 127 127 GLN N N 15 115.025 0.400 . 1 . . . . 212 GLN N . 15676 1 864 . 1 1 127 127 GLN NE2 N 15 114.873 0.400 . 1 . . . . 212 GLN NE2 . 15676 1 865 . 1 1 128 128 MET H H 1 8.324 0.020 . 1 . . . . 213 MET H . 15676 1 866 . 1 1 128 128 MET HA H 1 4.146 0.020 . 1 . . . . 213 MET HA . 15676 1 867 . 1 1 128 128 MET HB2 H 1 2.465 0.020 . 2 . . . . 213 MET HB2 . 15676 1 868 . 1 1 128 128 MET HB3 H 1 2.465 0.020 . 2 . . . . 213 MET HB3 . 15676 1 869 . 1 1 128 128 MET HE1 H 1 1.894 0.020 . 1 . . . . 213 MET HE . 15676 1 870 . 1 1 128 128 MET HE2 H 1 1.894 0.020 . 1 . . . . 213 MET HE . 15676 1 871 . 1 1 128 128 MET HE3 H 1 1.894 0.020 . 1 . . . . 213 MET HE . 15676 1 872 . 1 1 128 128 MET CA C 13 59.976 0.400 . 1 . . . . 213 MET CA . 15676 1 873 . 1 1 128 128 MET CB C 13 31.911 0.400 . 1 . . . . 213 MET CB . 15676 1 874 . 1 1 128 128 MET CE C 13 16.386 0.400 . 1 . . . . 213 MET CE . 15676 1 875 . 1 1 128 128 MET N N 15 119.344 0.400 . 1 . . . . 213 MET N . 15676 1 876 . 1 1 129 129 CYS H H 1 9.219 0.020 . 1 . . . . 214 CYS H . 15676 1 877 . 1 1 129 129 CYS CA C 13 59.821 0.400 . 1 . . . . 214 CYS CA . 15676 1 878 . 1 1 129 129 CYS N N 15 118.992 0.400 . 1 . . . . 214 CYS N . 15676 1 879 . 1 1 130 130 ILE H H 1 8.340 0.020 . 1 . . . . 215 ILE H . 15676 1 880 . 1 1 130 130 ILE HA H 1 3.563 0.020 . 1 . . . . 215 ILE HA . 15676 1 881 . 1 1 130 130 ILE HB H 1 2.005 0.020 . 1 . . . . 215 ILE HB . 15676 1 882 . 1 1 130 130 ILE HD11 H 1 0.852 0.020 . 1 . . . . 215 ILE HD1 . 15676 1 883 . 1 1 130 130 ILE HD12 H 1 0.852 0.020 . 1 . . . . 215 ILE HD1 . 15676 1 884 . 1 1 130 130 ILE HD13 H 1 0.852 0.020 . 1 . . . . 215 ILE HD1 . 15676 1 885 . 1 1 130 130 ILE HG12 H 1 1.971 0.020 . 2 . . . . 215 ILE HG12 . 15676 1 886 . 1 1 130 130 ILE HG13 H 1 0.851 0.020 . 2 . . . . 215 ILE HG13 . 15676 1 887 . 1 1 130 130 ILE HG21 H 1 0.885 0.020 . 1 . . . . 215 ILE HG2 . 15676 1 888 . 1 1 130 130 ILE HG22 H 1 0.885 0.020 . 1 . . . . 215 ILE HG2 . 15676 1 889 . 1 1 130 130 ILE HG23 H 1 0.885 0.020 . 1 . . . . 215 ILE HG2 . 15676 1 890 . 1 1 130 130 ILE CA C 13 66.751 0.400 . 1 . . . . 215 ILE CA . 15676 1 891 . 1 1 130 130 ILE CB C 13 37.814 0.400 . 1 . . . . 215 ILE CB . 15676 1 892 . 1 1 130 130 ILE CD1 C 13 13.828 0.400 . 1 . . . . 215 ILE CD1 . 15676 1 893 . 1 1 130 130 ILE CG1 C 13 30.705 0.400 . 1 . . . . 215 ILE CG1 . 15676 1 894 . 1 1 130 130 ILE CG2 C 13 16.947 0.400 . 1 . . . . 215 ILE CG2 . 15676 1 895 . 1 1 130 130 ILE N N 15 123.750 0.400 . 1 . . . . 215 ILE N . 15676 1 896 . 1 1 131 131 THR H H 1 8.142 0.020 . 1 . . . . 216 THR H . 15676 1 897 . 1 1 131 131 THR HA H 1 3.940 0.020 . 1 . . . . 216 THR HA . 15676 1 898 . 1 1 131 131 THR HB H 1 4.322 0.020 . 1 . . . . 216 THR HB . 15676 1 899 . 1 1 131 131 THR HG21 H 1 1.237 0.020 . 1 . . . . 216 THR HG2 . 15676 1 900 . 1 1 131 131 THR HG22 H 1 1.237 0.020 . 1 . . . . 216 THR HG2 . 15676 1 901 . 1 1 131 131 THR HG23 H 1 1.237 0.020 . 1 . . . . 216 THR HG2 . 15676 1 902 . 1 1 131 131 THR CA C 13 66.898 0.400 . 1 . . . . 216 THR CA . 15676 1 903 . 1 1 131 131 THR CB C 13 69.608 0.400 . 1 . . . . 216 THR CB . 15676 1 904 . 1 1 131 131 THR CG2 C 13 21.956 0.400 . 1 . . . . 216 THR CG2 . 15676 1 905 . 1 1 131 131 THR N N 15 118.528 0.400 . 1 . . . . 216 THR N . 15676 1 906 . 1 1 132 132 GLN H H 1 8.687 0.020 . 1 . . . . 217 GLN H . 15676 1 907 . 1 1 132 132 GLN HA H 1 3.688 0.020 . 1 . . . . 217 GLN HA . 15676 1 908 . 1 1 132 132 GLN HB2 H 1 2.290 0.020 . 2 . . . . 217 GLN HB2 . 15676 1 909 . 1 1 132 132 GLN HB3 H 1 2.134 0.020 . 2 . . . . 217 GLN HB3 . 15676 1 910 . 1 1 132 132 GLN HE21 H 1 7.537 0.020 . 2 . . . . 217 GLN HE21 . 15676 1 911 . 1 1 132 132 GLN HE22 H 1 6.894 0.020 . 2 . . . . 217 GLN HE22 . 15676 1 912 . 1 1 132 132 GLN HG2 H 1 2.601 0.020 . 2 . . . . 217 GLN HG2 . 15676 1 913 . 1 1 132 132 GLN HG3 H 1 2.601 0.020 . 2 . . . . 217 GLN HG3 . 15676 1 914 . 1 1 132 132 GLN CA C 13 58.527 0.400 . 1 . . . . 217 GLN CA . 15676 1 915 . 1 1 132 132 GLN CB C 13 28.353 0.400 . 1 . . . . 217 GLN CB . 15676 1 916 . 1 1 132 132 GLN CG C 13 34.681 0.400 . 1 . . . . 217 GLN CG . 15676 1 917 . 1 1 132 132 GLN N N 15 121.765 0.400 . 1 . . . . 217 GLN N . 15676 1 918 . 1 1 132 132 GLN NE2 N 15 113.146 0.400 . 1 . . . . 217 GLN NE2 . 15676 1 919 . 1 1 133 133 TYR HA H 1 4.532 0.020 . 1 . . . . 218 TYR HA . 15676 1 920 . 1 1 133 133 TYR HB2 H 1 3.063 0.020 . 2 . . . . 218 TYR HB2 . 15676 1 921 . 1 1 133 133 TYR HB3 H 1 2.879 0.020 . 2 . . . . 218 TYR HB3 . 15676 1 922 . 1 1 133 133 TYR HD1 H 1 6.290 0.020 . 1 . . . . 218 TYR HD1 . 15676 1 923 . 1 1 133 133 TYR HD2 H 1 6.290 0.020 . 1 . . . . 218 TYR HD2 . 15676 1 924 . 1 1 133 133 TYR HE1 H 1 6.610 0.020 . 1 . . . . 218 TYR HE1 . 15676 1 925 . 1 1 133 133 TYR HE2 H 1 6.610 0.020 . 1 . . . . 218 TYR HE2 . 15676 1 926 . 1 1 133 133 TYR CA C 13 55.867 0.400 . 1 . . . . 218 TYR CA . 15676 1 927 . 1 1 133 133 TYR CB C 13 37.912 0.400 . 1 . . . . 218 TYR CB . 15676 1 928 . 1 1 133 133 TYR CD1 C 13 132.528 0.400 . 1 . . . . 218 TYR CD1 . 15676 1 929 . 1 1 133 133 TYR CE1 C 13 117.797 0.400 . 1 . . . . 218 TYR CE1 . 15676 1 930 . 1 1 134 134 GLU H H 1 8.293 0.020 . 1 . . . . 219 GLU H . 15676 1 931 . 1 1 134 134 GLU HA H 1 3.689 0.020 . 1 . . . . 219 GLU HA . 15676 1 932 . 1 1 134 134 GLU HB2 H 1 2.345 0.020 . 2 . . . . 219 GLU HB2 . 15676 1 933 . 1 1 134 134 GLU HB3 H 1 2.051 0.020 . 2 . . . . 219 GLU HB3 . 15676 1 934 . 1 1 134 134 GLU HG2 H 1 2.630 0.020 . 2 . . . . 219 GLU HG2 . 15676 1 935 . 1 1 134 134 GLU HG3 H 1 2.370 0.020 . 2 . . . . 219 GLU HG3 . 15676 1 936 . 1 1 134 134 GLU CA C 13 59.268 0.400 . 1 . . . . 219 GLU CA . 15676 1 937 . 1 1 134 134 GLU CB C 13 28.324 0.400 . 1 . . . . 219 GLU CB . 15676 1 938 . 1 1 134 134 GLU CG C 13 34.812 0.400 . 1 . . . . 219 GLU CG . 15676 1 939 . 1 1 134 134 GLU N N 15 120.400 0.400 . 1 . . . . 219 GLU N . 15676 1 940 . 1 1 135 135 ARG H H 1 7.887 0.020 . 1 . . . . 220 ARG H . 15676 1 941 . 1 1 135 135 ARG HA H 1 3.981 0.020 . 1 . . . . 220 ARG HA . 15676 1 942 . 1 1 135 135 ARG HB2 H 1 1.902 0.020 . 2 . . . . 220 ARG HB2 . 15676 1 943 . 1 1 135 135 ARG HB3 H 1 1.817 0.020 . 2 . . . . 220 ARG HB3 . 15676 1 944 . 1 1 135 135 ARG HD2 H 1 3.054 0.020 . 2 . . . . 220 ARG HD2 . 15676 1 945 . 1 1 135 135 ARG HD3 H 1 2.896 0.020 . 2 . . . . 220 ARG HD3 . 15676 1 946 . 1 1 135 135 ARG HE H 1 7.215 0.020 . 1 . . . . 220 ARG HE . 15676 1 947 . 1 1 135 135 ARG HG2 H 1 1.834 0.020 . 2 . . . . 220 ARG HG2 . 15676 1 948 . 1 1 135 135 ARG HG3 H 1 1.615 0.020 . 2 . . . . 220 ARG HG3 . 15676 1 949 . 1 1 135 135 ARG CA C 13 59.266 0.400 . 1 . . . . 220 ARG CA . 15676 1 950 . 1 1 135 135 ARG CB C 13 30.337 0.400 . 1 . . . . 220 ARG CB . 15676 1 951 . 1 1 135 135 ARG CD C 13 43.827 0.400 . 1 . . . . 220 ARG CD . 15676 1 952 . 1 1 135 135 ARG CG C 13 26.953 0.400 . 1 . . . . 220 ARG CG . 15676 1 953 . 1 1 135 135 ARG N N 15 118.589 0.400 . 1 . . . . 220 ARG N . 15676 1 954 . 1 1 135 135 ARG NE N 15 84.246 0.400 . 1 . . . . 220 ARG NE . 15676 1 955 . 1 1 137 137 SER HA H 1 3.954 0.020 . 1 . . . . 222 SER HA . 15676 1 956 . 1 1 137 137 SER HB2 H 1 3.581 0.020 . 2 . . . . 222 SER HB2 . 15676 1 957 . 1 1 137 137 SER HB3 H 1 3.358 0.020 . 2 . . . . 222 SER HB3 . 15676 1 958 . 1 1 137 137 SER CA C 13 60.572 0.400 . 1 . . . . 222 SER CA . 15676 1 959 . 1 1 137 137 SER CB C 13 62.761 0.400 . 1 . . . . 222 SER CB . 15676 1 960 . 1 1 138 138 GLN H H 1 7.624 0.020 . 1 . . . . 223 GLN H . 15676 1 961 . 1 1 138 138 GLN HA H 1 4.153 0.020 . 1 . . . . 223 GLN HA . 15676 1 962 . 1 1 138 138 GLN HB2 H 1 2.079 0.020 . 2 . . . . 223 GLN HB2 . 15676 1 963 . 1 1 138 138 GLN HB3 H 1 2.079 0.020 . 2 . . . . 223 GLN HB3 . 15676 1 964 . 1 1 138 138 GLN HE21 H 1 7.462 0.020 . 2 . . . . 223 GLN HE21 . 15676 1 965 . 1 1 138 138 GLN HE22 H 1 6.796 0.020 . 2 . . . . 223 GLN HE22 . 15676 1 966 . 1 1 138 138 GLN HG2 H 1 2.470 0.020 . 2 . . . . 223 GLN HG2 . 15676 1 967 . 1 1 138 138 GLN HG3 H 1 2.368 0.020 . 2 . . . . 223 GLN HG3 . 15676 1 968 . 1 1 138 138 GLN CA C 13 57.658 0.400 . 1 . . . . 223 GLN CA . 15676 1 969 . 1 1 138 138 GLN CB C 13 28.370 0.400 . 1 . . . . 223 GLN CB . 15676 1 970 . 1 1 138 138 GLN CG C 13 33.572 0.400 . 1 . . . . 223 GLN CG . 15676 1 971 . 1 1 138 138 GLN N N 15 120.575 0.400 . 1 . . . . 223 GLN N . 15676 1 972 . 1 1 138 138 GLN NE2 N 15 111.765 0.400 . 1 . . . . 223 GLN NE2 . 15676 1 973 . 1 1 139 139 ALA H H 1 7.627 0.020 . 1 . . . . 224 ALA H . 15676 1 974 . 1 1 139 139 ALA HA H 1 4.156 0.020 . 1 . . . . 224 ALA HA . 15676 1 975 . 1 1 139 139 ALA HB1 H 1 1.354 0.020 . 1 . . . . 224 ALA HB . 15676 1 976 . 1 1 139 139 ALA HB2 H 1 1.354 0.020 . 1 . . . . 224 ALA HB . 15676 1 977 . 1 1 139 139 ALA HB3 H 1 1.354 0.020 . 1 . . . . 224 ALA HB . 15676 1 978 . 1 1 139 139 ALA CA C 13 54.017 0.400 . 1 . . . . 224 ALA CA . 15676 1 979 . 1 1 139 139 ALA CB C 13 18.645 0.400 . 1 . . . . 224 ALA CB . 15676 1 980 . 1 1 139 139 ALA N N 15 121.263 0.400 . 1 . . . . 224 ALA N . 15676 1 981 . 1 1 140 140 TYR H H 1 8.048 0.020 . 1 . . . . 225 TYR H . 15676 1 982 . 1 1 140 140 TYR HA H 1 4.204 0.020 . 1 . . . . 225 TYR HA . 15676 1 983 . 1 1 140 140 TYR HB2 H 1 3.017 0.020 . 2 . . . . 225 TYR HB2 . 15676 1 984 . 1 1 140 140 TYR HB3 H 1 2.895 0.020 . 2 . . . . 225 TYR HB3 . 15676 1 985 . 1 1 140 140 TYR HD1 H 1 6.738 0.020 . 1 . . . . 225 TYR HD1 . 15676 1 986 . 1 1 140 140 TYR HD2 H 1 6.738 0.020 . 1 . . . . 225 TYR HD2 . 15676 1 987 . 1 1 140 140 TYR HE1 H 1 6.656 0.020 . 1 . . . . 225 TYR HE1 . 15676 1 988 . 1 1 140 140 TYR HE2 H 1 6.656 0.020 . 1 . . . . 225 TYR HE2 . 15676 1 989 . 1 1 140 140 TYR CA C 13 59.890 0.400 . 1 . . . . 225 TYR CA . 15676 1 990 . 1 1 140 140 TYR CB C 13 38.994 0.400 . 1 . . . . 225 TYR CB . 15676 1 991 . 1 1 140 140 TYR CD1 C 13 133.122 0.400 . 1 . . . . 225 TYR CD1 . 15676 1 992 . 1 1 140 140 TYR CE1 C 13 117.710 0.400 . 1 . . . . 225 TYR CE1 . 15676 1 993 . 1 1 140 140 TYR N N 15 118.980 0.400 . 1 . . . . 225 TYR N . 15676 1 994 . 1 1 141 141 TYR H H 1 7.948 0.020 . 1 . . . . 226 TYR H . 15676 1 995 . 1 1 141 141 TYR HA H 1 4.375 0.020 . 1 . . . . 226 TYR HA . 15676 1 996 . 1 1 141 141 TYR HB2 H 1 3.141 0.020 . 2 . . . . 226 TYR HB2 . 15676 1 997 . 1 1 141 141 TYR HB3 H 1 2.947 0.020 . 2 . . . . 226 TYR HB3 . 15676 1 998 . 1 1 141 141 TYR HD1 H 1 7.180 0.020 . 1 . . . . 226 TYR HD1 . 15676 1 999 . 1 1 141 141 TYR HD2 H 1 7.180 0.020 . 1 . . . . 226 TYR HD2 . 15676 1 1000 . 1 1 141 141 TYR HE1 H 1 6.825 0.020 . 1 . . . . 226 TYR HE1 . 15676 1 1001 . 1 1 141 141 TYR HE2 H 1 6.825 0.020 . 1 . . . . 226 TYR HE2 . 15676 1 1002 . 1 1 141 141 TYR CA C 13 59.036 0.400 . 1 . . . . 226 TYR CA . 15676 1 1003 . 1 1 141 141 TYR CB C 13 38.060 0.400 . 1 . . . . 226 TYR CB . 15676 1 1004 . 1 1 141 141 TYR CD1 C 13 133.346 0.400 . 1 . . . . 226 TYR CD1 . 15676 1 1005 . 1 1 141 141 TYR CE1 C 13 117.697 0.400 . 1 . . . . 226 TYR CE1 . 15676 1 1006 . 1 1 141 141 TYR N N 15 118.596 0.400 . 1 . . . . 226 TYR N . 15676 1 1007 . 1 1 142 142 GLN H H 1 7.941 0.020 . 1 . . . . 227 GLN H . 15676 1 1008 . 1 1 142 142 GLN HA H 1 4.240 0.020 . 1 . . . . 227 GLN HA . 15676 1 1009 . 1 1 142 142 GLN HB2 H 1 2.130 0.020 . 2 . . . . 227 GLN HB2 . 15676 1 1010 . 1 1 142 142 GLN HB3 H 1 2.038 0.020 . 2 . . . . 227 GLN HB3 . 15676 1 1011 . 1 1 142 142 GLN HE21 H 1 7.599 0.020 . 2 . . . . 227 GLN HE21 . 15676 1 1012 . 1 1 142 142 GLN HE22 H 1 6.899 0.020 . 2 . . . . 227 GLN HE22 . 15676 1 1013 . 1 1 142 142 GLN HG2 H 1 2.368 0.020 . 2 . . . . 227 GLN HG2 . 15676 1 1014 . 1 1 142 142 GLN HG3 H 1 2.368 0.020 . 2 . . . . 227 GLN HG3 . 15676 1 1015 . 1 1 142 142 GLN CA C 13 56.346 0.400 . 1 . . . . 227 GLN CA . 15676 1 1016 . 1 1 142 142 GLN CB C 13 28.912 0.400 . 1 . . . . 227 GLN CB . 15676 1 1017 . 1 1 142 142 GLN CG C 13 33.628 0.400 . 1 . . . . 227 GLN CG . 15676 1 1018 . 1 1 142 142 GLN N N 15 119.883 0.400 . 1 . . . . 227 GLN N . 15676 1 1019 . 1 1 142 142 GLN NE2 N 15 112.557 0.400 . 1 . . . . 227 GLN NE2 . 15676 1 1020 . 1 1 143 143 ARG H H 1 7.966 0.020 . 1 . . . . 228 ARG H . 15676 1 1021 . 1 1 143 143 ARG HA H 1 4.244 0.020 . 1 . . . . 228 ARG HA . 15676 1 1022 . 1 1 143 143 ARG HB2 H 1 1.812 0.020 . 2 . . . . 228 ARG HB2 . 15676 1 1023 . 1 1 143 143 ARG HB3 H 1 1.789 0.020 . 2 . . . . 228 ARG HB3 . 15676 1 1024 . 1 1 143 143 ARG HD2 H 1 3.146 0.020 . 2 . . . . 228 ARG HD2 . 15676 1 1025 . 1 1 143 143 ARG HD3 H 1 3.146 0.020 . 2 . . . . 228 ARG HD3 . 15676 1 1026 . 1 1 143 143 ARG HE H 1 7.170 0.020 . 1 . . . . 228 ARG HE . 15676 1 1027 . 1 1 143 143 ARG HG2 H 1 1.654 0.020 . 2 . . . . 228 ARG HG2 . 15676 1 1028 . 1 1 143 143 ARG HG3 H 1 1.610 0.020 . 2 . . . . 228 ARG HG3 . 15676 1 1029 . 1 1 143 143 ARG CA C 13 56.719 0.400 . 1 . . . . 228 ARG CA . 15676 1 1030 . 1 1 143 143 ARG CB C 13 30.731 0.400 . 1 . . . . 228 ARG CB . 15676 1 1031 . 1 1 143 143 ARG CD C 13 43.559 0.400 . 1 . . . . 228 ARG CD . 15676 1 1032 . 1 1 143 143 ARG CG C 13 27.111 0.400 . 1 . . . . 228 ARG CG . 15676 1 1033 . 1 1 143 143 ARG N N 15 120.871 0.400 . 1 . . . . 228 ARG N . 15676 1 1034 . 1 1 143 143 ARG NE N 15 84.483 0.400 . 1 . . . . 228 ARG NE . 15676 1 1035 . 1 1 144 144 GLY H H 1 8.247 0.020 . 1 . . . . 229 GLY H . 15676 1 1036 . 1 1 144 144 GLY HA2 H 1 3.992 0.020 . 2 . . . . 229 GLY HA2 . 15676 1 1037 . 1 1 144 144 GLY HA3 H 1 3.992 0.020 . 2 . . . . 229 GLY HA3 . 15676 1 1038 . 1 1 144 144 GLY CA C 13 45.359 0.400 . 1 . . . . 229 GLY CA . 15676 1 1039 . 1 1 144 144 GLY N N 15 109.072 0.400 . 1 . . . . 229 GLY N . 15676 1 1040 . 1 1 145 145 SER H H 1 8.139 0.020 . 1 . . . . 230 SER H . 15676 1 1041 . 1 1 145 145 SER HA H 1 4.506 0.020 . 1 . . . . 230 SER HA . 15676 1 1042 . 1 1 145 145 SER HB2 H 1 3.882 0.020 . 2 . . . . 230 SER HB2 . 15676 1 1043 . 1 1 145 145 SER HB3 H 1 3.882 0.020 . 2 . . . . 230 SER HB3 . 15676 1 1044 . 1 1 145 145 SER CA C 13 58.123 0.400 . 1 . . . . 230 SER CA . 15676 1 1045 . 1 1 145 145 SER CB C 13 63.878 0.400 . 1 . . . . 230 SER CB . 15676 1 1046 . 1 1 145 145 SER N N 15 115.684 0.400 . 1 . . . . 230 SER N . 15676 1 1047 . 1 1 146 146 SER H H 1 8.012 0.020 . 1 . . . . 231 SER H . 15676 1 1048 . 1 1 146 146 SER HA H 1 4.282 0.020 . 1 . . . . 231 SER HA . 15676 1 1049 . 1 1 146 146 SER HB2 H 1 3.880 0.020 . 2 . . . . 231 SER HB2 . 15676 1 1050 . 1 1 146 146 SER HB3 H 1 3.880 0.020 . 2 . . . . 231 SER HB3 . 15676 1 1051 . 1 1 146 146 SER CA C 13 59.838 0.400 . 1 . . . . 231 SER CA . 15676 1 1052 . 1 1 146 146 SER CB C 13 64.691 0.400 . 1 . . . . 231 SER CB . 15676 1 1053 . 1 1 146 146 SER N N 15 122.562 0.400 . 1 . . . . 231 SER N . 15676 1 stop_ save_