data_19268 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19268 _Entry.Title ; SOLUTION NMR STRUCTURE OF THE V209M VARIANT OF THE HUMAN PRION PROTEIN (RESIDUES 90-231) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-28 _Entry.Accession_date 2013-05-28 _Entry.Last_release_date 2013-09-10 _Entry.Original_release_date 2013-09-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details 'SOLUTION NMR STRUCTURE OF THE V209M VARIANT OF THE HUMAN PRION PROTEIN' _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 J. Mills . L. . 19268 2 K. Surewicz . . . 19268 3 W. Surewicz . . . 19268 4 F. Soennichsen . D. . 19268 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19268 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HUMAN . 19268 'MEMBRANE PROTEIN' . 19268 PRION . 19268 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19268 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 425 19268 '15N chemical shifts' 160 19268 '1H chemical shifts' 918 19268 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 . . 2013-09-10 2013-05-26 original author . 19268 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19268 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23871665 _Citation.Full_citation . _Citation.Title 'Thermodynamic Stabilization of the Folded Domain of Prion Protein Inhibits Prion Infection in Vivo' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 248 _Citation.Page_last 254 _Citation.Year 2013 _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 Qingzhong Kong . . . 19268 1 2 Jeffrey Mills . L. . 19268 1 3 Bishwajit Kundu . . . 19268 1 4 Xinyi Li . . . 19268 1 5 Liuting Qing . . . 19268 1 6 Krystyna Surewicz . . . 19268 1 7 Ignazio Cali . . . 19268 1 8 Shenghai Huang . . . 19268 1 9 Mengjie Zheng . . . 19268 1 10 Wieslaw Swietnicki . . . 19268 1 11 Frank Soennichsen . D. . 19268 1 12 Pierluigi Gambetti . . . 19268 1 13 Witold Surewicz . K. . 19268 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19268 _Assembly.ID 1 _Assembly.Name HuPRP _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 'MAJOR PRION PROTEIN' 1 $MAJOR_PRION_PROTEIN A . yes native no no . . . 19268 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MAJOR_PRION_PROTEIN _Entity.Sf_category entity _Entity.Sf_framecode MAJOR_PRION_PROTEIN _Entity.Entry_ID 19268 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MAJOR_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 GGYMLGSAMSRPIIHFGSDY EDRYYRENMHRYPNQVYYRP MDEYSNQNNFVHDCVNITIK QHTVTTTTKGENFTETDVKM MERMVEQMCITQYERESQAY YQRGSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 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 'UNP RESIDUES 90-231' _Entity.Mutation YES _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16557.500 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15676 . V129/D178N_prion_protein . . . . . 100.00 146 97.95 100.00 3.97e-103 . . . . 19268 1 2 no BMRB 16743 . "HuPrP(90-231 M129 Q212P)" . . . . . 97.26 148 98.59 99.30 1.10e-99 . . . . 19268 1 3 no BMRB 16757 . PrP^(91-231) . . . . . 99.32 145 97.24 100.00 8.94e-102 . . . . 19268 1 4 no BMRB 17714 . HuPrP . . . . . 98.63 147 98.61 100.00 7.09e-103 . . . . 19268 1 5 no BMRB 17756 . hPrP(121-230) . . . . . 75.34 113 99.09 100.00 7.91e-75 . . . . 19268 1 6 no BMRB 17757 . hPrP(121-230) . . . . . 75.34 113 97.27 98.18 5.31e-72 . . . . 19268 1 7 no BMRB 17780 . Hpp_E219K . . . . . 97.26 142 98.59 100.00 1.40e-100 . . . . 19268 1 8 no BMRB 18426 . entity . . . . . 97.26 142 99.30 100.00 3.86e-101 . . . . 19268 1 9 no BMRB 18550 . V210I . . . . . 98.63 147 98.61 100.00 7.09e-103 . . . . 19268 1 10 no BMRB 4379 . "human prion protein" . . . . . 76.71 112 98.21 100.00 3.99e-76 . . . . 19268 1 11 no BMRB 4402 . "human prion protein" . . . . . 99.32 210 97.24 97.93 4.75e-99 . . . . 19268 1 12 no BMRB 4434 . "human prion protein" . . . . . 96.58 143 99.29 100.00 2.08e-100 . . . . 19268 1 13 no BMRB 4620 . "prion protein" . . . . . 76.71 112 97.32 100.00 1.04e-75 . . . . 19268 1 14 no BMRB 4641 . "PRION PROTEIN" . . . . . 100.00 146 98.63 100.00 6.99e-104 . . . . 19268 1 15 no BMRB 4736 . "human prion protein" . . . . . 76.71 112 97.32 100.00 1.70e-75 . . . . 19268 1 16 no PDB 1E1G . "Human Prion Protein Variant M166v" . . . . . 70.55 104 98.06 100.00 3.89e-69 . . . . 19268 1 17 no PDB 1E1J . "Human Prion Protein Variant M166v" . . . . . 70.55 104 98.06 100.00 3.89e-69 . . . . 19268 1 18 no PDB 1E1P . "Human Prion Protein Variant S170n" . . . . . 70.55 104 98.06 100.00 3.73e-69 . . . . 19268 1 19 no PDB 1E1S . "Human Prion Protein Variant S170n" . . . . . 70.55 104 98.06 100.00 3.73e-69 . . . . 19268 1 20 no PDB 1E1U . "Human Prion Protein Variant R220k" . . . . . 70.55 104 98.06 100.00 2.31e-69 . . . . 19268 1 21 no PDB 1E1W . "Human Prion Protein Variant R220k" . . . . . 70.55 104 98.06 100.00 2.31e-69 . . . . 19268 1 22 no PDB 1FKC . "Human Prion Protein (Mutant E200k) Fragment 90-231" . . . . . 97.26 142 98.59 100.00 1.40e-100 . . . . 19268 1 23 no PDB 1FO7 . "Human Prion Protein Mutant E200k Fragment 90-231" . . . . . 97.26 142 98.59 100.00 1.40e-100 . . . . 19268 1 24 no PDB 1HJM . "Human Prion Protein At Ph 7.0" . . . . . 70.55 104 99.03 100.00 8.37e-70 . . . . 19268 1 25 no PDB 1HJN . "Human Prion Protein At Ph 7.0" . . . . . 70.55 104 99.03 100.00 8.37e-70 . . . . 19268 1 26 no PDB 1I4M . "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" . . . . . 73.97 108 99.07 100.00 1.18e-73 . . . . 19268 1 27 no PDB 1QLX . "Human Prion Protein" . . . . . 99.32 210 97.24 97.93 4.75e-99 . . . . 19268 1 28 no PDB 1QLZ . "Human Prion Protein" . . . . . 99.32 210 97.24 97.93 4.75e-99 . . . . 19268 1 29 no PDB 1QM0 . "Human Prion Protein Fragment 90-230" . . . . . 96.58 143 99.29 100.00 2.08e-100 . . . . 19268 1 30 no PDB 1QM1 . "Human Prion Protein Fragment 90-230" . . . . . 96.58 143 99.29 100.00 2.08e-100 . . . . 19268 1 31 no PDB 1QM2 . "Human Prion Protein Fragment 121-230" . . . . . 76.71 112 98.21 100.00 3.99e-76 . . . . 19268 1 32 no PDB 1QM3 . "Human Prion Protein Fragment 121-230" . . . . . 76.71 112 98.21 100.00 3.99e-76 . . . . 19268 1 33 no PDB 2K1D . "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" . . . . . 100.00 146 97.95 100.00 3.97e-103 . . . . 19268 1 34 no PDB 2KUN . "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" . . . . . 97.26 148 98.59 99.30 1.10e-99 . . . . 19268 1 35 no PDB 2LEJ . "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" . . . . . 98.63 147 98.61 100.00 7.09e-103 . . . . 19268 1 36 no PDB 2LFT . "Human Prion Protein With E219k Protective Polymorphism" . . . . . 97.26 142 98.59 100.00 1.40e-100 . . . . 19268 1 37 no PDB 2LSB . "Solution-State Nmr Structure Of The Human Prion Protein" . . . . . 97.26 142 99.30 100.00 3.86e-101 . . . . 19268 1 38 no PDB 2LV1 . "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" . . . . . 98.63 147 98.61 100.00 7.09e-103 . . . . 19268 1 39 no PDB 2M8T . "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" . . . . . 100.00 146 100.00 100.00 4.50e-105 . . . . 19268 1 40 no PDB 2W9E . "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" . . . . . 77.40 113 99.12 100.00 2.87e-77 . . . . 19268 1 41 no PDB 3HAF . "Human Prion Protein Variant V129 Domain Swapped Dimer" . . . . . 97.26 142 98.59 100.00 1.72e-100 . . . . 19268 1 42 no PDB 3HAK . "Human Prion Protein Variant V129" . . . . . 70.55 103 98.06 100.00 2.75e-69 . . . . 19268 1 43 no PDB 3HEQ . "Human Prion Protein Variant D178n With M129" . . . . . 97.26 142 98.59 100.00 2.10e-100 . . . . 19268 1 44 no PDB 3HER . "Human Prion Protein Variant F198s With V129" . . . . . 97.26 142 97.89 99.30 3.37e-99 . . . . 19268 1 45 no PDB 3HES . "Human Prion Protein Variant F198s With M129" . . . . . 97.26 142 98.59 99.30 7.37e-100 . . . . 19268 1 46 no PDB 3HJ5 . "Human Prion Protein Variant V129 Domain Swapped Dimer" . . . . . 97.26 142 98.59 100.00 1.72e-100 . . . . 19268 1 47 no PDB 3HJX . "Human Prion Protein Variant D178n With V129" . . . . . 72.60 106 97.17 100.00 1.41e-70 . . . . 19268 1 48 no PDB 4DGI . "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" . . . . . 76.03 111 99.10 100.00 6.96e-76 . . . . 19268 1 49 no PDB 4KML . "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Full-length Human Prion Protein Bound To A Nanobod" . . . . . 100.00 241 97.26 97.95 2.22e-99 . . . . 19268 1 50 no PDB 4N9O . "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" . . . . . 97.26 142 99.30 100.00 3.86e-101 . . . . 19268 1 51 no DBJ BAF62360 . "prion protein, transcript variant 2 [Pan troglodytes verus]" . . . . . 93.84 253 97.81 100.00 6.98e-81 . . . . 19268 1 52 no DBJ BAG32276 . "prion [Homo sapiens]" . . . . . 100.00 253 97.26 97.95 4.83e-99 . . . . 19268 1 53 no DBJ BAG32278 . "alternatively spliced variant form of prion [Homo sapiens]" . . . . . 90.41 230 96.97 97.73 1.76e-88 . . . . 19268 1 54 no DBJ BAG52189 . "unnamed protein product [Homo sapiens]" . . . . . 79.45 163 98.28 99.14 2.13e-79 . . . . 19268 1 55 no DBJ BAG56832 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 192 97.26 97.95 7.80e-100 . . . . 19268 1 56 no EMBL CAA58442 . "prion protein [Homo sapiens]" . . . . . 100.00 245 97.26 97.95 3.71e-99 . . . . 19268 1 57 no EMBL CAG46836 . "PRNP [Homo sapiens]" . . . . . 93.84 253 97.81 99.27 9.40e-76 . . . . 19268 1 58 no GB AAA60182 . "prion protein [Homo sapiens]" . . . . . 100.00 253 97.26 97.95 4.83e-99 . . . . 19268 1 59 no GB AAA68632 . "major prion protein precursor [Pan troglodytes]" . . . . . 93.84 253 97.81 100.00 6.98e-81 . . . . 19268 1 60 no GB AAB59442 . "prion protein, partial [Homo sapiens]" . . . . . 100.00 224 97.26 97.95 2.73e-99 . . . . 19268 1 61 no GB AAB59443 . "prion protein, partial [Homo sapiens]" . . . . . 100.00 233 97.26 97.95 3.41e-99 . . . . 19268 1 62 no GB AAC05365 . "prion protein variant [Homo sapiens]" . . . . . 93.84 246 97.81 100.00 2.14e-77 . . . . 19268 1 63 no REF NP_000302 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 97.26 97.95 4.83e-99 . . . . 19268 1 64 no REF NP_001009093 . "major prion protein preproprotein [Pan troglodytes]" . . . . . 93.84 253 97.81 100.00 6.98e-81 . . . . 19268 1 65 no REF NP_001073590 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 97.26 97.95 4.83e-99 . . . . 19268 1 66 no REF NP_001073591 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 97.26 97.95 4.83e-99 . . . . 19268 1 67 no REF NP_001073592 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 97.26 97.95 4.83e-99 . . . . 19268 1 68 no SP P04156 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=ASCR; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_" . . . . . 100.00 253 97.26 97.95 4.83e-99 . . . . 19268 1 69 no SP P61766 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 93.84 253 97.81 100.00 6.98e-81 . . . . 19268 1 70 no SP P61767 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 93.84 253 97.81 100.00 6.98e-81 . . . . 19268 1 71 no SP P61768 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 93.84 253 97.81 100.00 6.98e-81 . . . . 19268 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PRP, ASCR, PRP27-30, PRP33-35C' . 19268 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 . 19268 1 2 87 SER . 19268 1 3 88 ASP . 19268 1 4 89 PRO . 19268 1 5 90 GLY . 19268 1 6 91 GLN . 19268 1 7 92 GLY . 19268 1 8 93 GLY . 19268 1 9 94 GLY . 19268 1 10 95 THR . 19268 1 11 96 HIS . 19268 1 12 97 SER . 19268 1 13 98 GLN . 19268 1 14 99 TRP . 19268 1 15 100 ASN . 19268 1 16 101 LYS . 19268 1 17 102 PRO . 19268 1 18 103 SER . 19268 1 19 104 LYS . 19268 1 20 105 PRO . 19268 1 21 106 LYS . 19268 1 22 107 THR . 19268 1 23 108 ASN . 19268 1 24 109 MET . 19268 1 25 110 LYS . 19268 1 26 111 HIS . 19268 1 27 112 MET . 19268 1 28 113 ALA . 19268 1 29 114 GLY . 19268 1 30 115 ALA . 19268 1 31 116 ALA . 19268 1 32 117 ALA . 19268 1 33 118 ALA . 19268 1 34 119 GLY . 19268 1 35 120 ALA . 19268 1 36 121 VAL . 19268 1 37 122 VAL . 19268 1 38 123 GLY . 19268 1 39 124 GLY . 19268 1 40 125 LEU . 19268 1 41 126 GLY . 19268 1 42 127 GLY . 19268 1 43 128 TYR . 19268 1 44 129 MET . 19268 1 45 130 LEU . 19268 1 46 131 GLY . 19268 1 47 132 SER . 19268 1 48 133 ALA . 19268 1 49 134 MET . 19268 1 50 135 SER . 19268 1 51 136 ARG . 19268 1 52 137 PRO . 19268 1 53 138 ILE . 19268 1 54 139 ILE . 19268 1 55 140 HIS . 19268 1 56 141 PHE . 19268 1 57 142 GLY . 19268 1 58 143 SER . 19268 1 59 144 ASP . 19268 1 60 145 TYR . 19268 1 61 146 GLU . 19268 1 62 147 ASP . 19268 1 63 148 ARG . 19268 1 64 149 TYR . 19268 1 65 150 TYR . 19268 1 66 151 ARG . 19268 1 67 152 GLU . 19268 1 68 153 ASN . 19268 1 69 154 MET . 19268 1 70 155 HIS . 19268 1 71 156 ARG . 19268 1 72 157 TYR . 19268 1 73 158 PRO . 19268 1 74 159 ASN . 19268 1 75 160 GLN . 19268 1 76 161 VAL . 19268 1 77 162 TYR . 19268 1 78 163 TYR . 19268 1 79 164 ARG . 19268 1 80 165 PRO . 19268 1 81 166 MET . 19268 1 82 167 ASP . 19268 1 83 168 GLU . 19268 1 84 169 TYR . 19268 1 85 170 SER . 19268 1 86 171 ASN . 19268 1 87 172 GLN . 19268 1 88 173 ASN . 19268 1 89 174 ASN . 19268 1 90 175 PHE . 19268 1 91 176 VAL . 19268 1 92 177 HIS . 19268 1 93 178 ASP . 19268 1 94 179 CYS . 19268 1 95 180 VAL . 19268 1 96 181 ASN . 19268 1 97 182 ILE . 19268 1 98 183 THR . 19268 1 99 184 ILE . 19268 1 100 185 LYS . 19268 1 101 186 GLN . 19268 1 102 187 HIS . 19268 1 103 188 THR . 19268 1 104 189 VAL . 19268 1 105 190 THR . 19268 1 106 191 THR . 19268 1 107 192 THR . 19268 1 108 193 THR . 19268 1 109 194 LYS . 19268 1 110 195 GLY . 19268 1 111 196 GLU . 19268 1 112 197 ASN . 19268 1 113 198 PHE . 19268 1 114 199 THR . 19268 1 115 200 GLU . 19268 1 116 201 THR . 19268 1 117 202 ASP . 19268 1 118 203 VAL . 19268 1 119 204 LYS . 19268 1 120 205 MET . 19268 1 121 206 MET . 19268 1 122 207 GLU . 19268 1 123 208 ARG . 19268 1 124 209 MET . 19268 1 125 210 VAL . 19268 1 126 211 GLU . 19268 1 127 212 GLN . 19268 1 128 213 MET . 19268 1 129 214 CYS . 19268 1 130 215 ILE . 19268 1 131 216 THR . 19268 1 132 217 GLN . 19268 1 133 218 TYR . 19268 1 134 219 GLU . 19268 1 135 220 ARG . 19268 1 136 221 GLU . 19268 1 137 222 SER . 19268 1 138 223 GLN . 19268 1 139 224 ALA . 19268 1 140 225 TYR . 19268 1 141 226 TYR . 19268 1 142 227 GLN . 19268 1 143 228 ARG . 19268 1 144 229 GLY . 19268 1 145 230 SER . 19268 1 146 231 SER . 19268 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 19268 1 . SER 2 2 19268 1 . ASP 3 3 19268 1 . PRO 4 4 19268 1 . GLY 5 5 19268 1 . GLN 6 6 19268 1 . GLY 7 7 19268 1 . GLY 8 8 19268 1 . GLY 9 9 19268 1 . THR 10 10 19268 1 . HIS 11 11 19268 1 . SER 12 12 19268 1 . GLN 13 13 19268 1 . TRP 14 14 19268 1 . ASN 15 15 19268 1 . LYS 16 16 19268 1 . PRO 17 17 19268 1 . SER 18 18 19268 1 . LYS 19 19 19268 1 . PRO 20 20 19268 1 . LYS 21 21 19268 1 . THR 22 22 19268 1 . ASN 23 23 19268 1 . MET 24 24 19268 1 . LYS 25 25 19268 1 . HIS 26 26 19268 1 . MET 27 27 19268 1 . ALA 28 28 19268 1 . GLY 29 29 19268 1 . ALA 30 30 19268 1 . ALA 31 31 19268 1 . ALA 32 32 19268 1 . ALA 33 33 19268 1 . GLY 34 34 19268 1 . ALA 35 35 19268 1 . VAL 36 36 19268 1 . VAL 37 37 19268 1 . GLY 38 38 19268 1 . GLY 39 39 19268 1 . LEU 40 40 19268 1 . GLY 41 41 19268 1 . GLY 42 42 19268 1 . TYR 43 43 19268 1 . MET 44 44 19268 1 . LEU 45 45 19268 1 . GLY 46 46 19268 1 . SER 47 47 19268 1 . ALA 48 48 19268 1 . MET 49 49 19268 1 . SER 50 50 19268 1 . ARG 51 51 19268 1 . PRO 52 52 19268 1 . ILE 53 53 19268 1 . ILE 54 54 19268 1 . HIS 55 55 19268 1 . PHE 56 56 19268 1 . GLY 57 57 19268 1 . SER 58 58 19268 1 . ASP 59 59 19268 1 . TYR 60 60 19268 1 . GLU 61 61 19268 1 . ASP 62 62 19268 1 . ARG 63 63 19268 1 . TYR 64 64 19268 1 . TYR 65 65 19268 1 . ARG 66 66 19268 1 . GLU 67 67 19268 1 . ASN 68 68 19268 1 . MET 69 69 19268 1 . HIS 70 70 19268 1 . ARG 71 71 19268 1 . TYR 72 72 19268 1 . PRO 73 73 19268 1 . ASN 74 74 19268 1 . GLN 75 75 19268 1 . VAL 76 76 19268 1 . TYR 77 77 19268 1 . TYR 78 78 19268 1 . ARG 79 79 19268 1 . PRO 80 80 19268 1 . MET 81 81 19268 1 . ASP 82 82 19268 1 . GLU 83 83 19268 1 . TYR 84 84 19268 1 . SER 85 85 19268 1 . ASN 86 86 19268 1 . GLN 87 87 19268 1 . ASN 88 88 19268 1 . ASN 89 89 19268 1 . PHE 90 90 19268 1 . VAL 91 91 19268 1 . HIS 92 92 19268 1 . ASP 93 93 19268 1 . CYS 94 94 19268 1 . VAL 95 95 19268 1 . ASN 96 96 19268 1 . ILE 97 97 19268 1 . THR 98 98 19268 1 . ILE 99 99 19268 1 . LYS 100 100 19268 1 . GLN 101 101 19268 1 . HIS 102 102 19268 1 . THR 103 103 19268 1 . VAL 104 104 19268 1 . THR 105 105 19268 1 . THR 106 106 19268 1 . THR 107 107 19268 1 . THR 108 108 19268 1 . LYS 109 109 19268 1 . GLY 110 110 19268 1 . GLU 111 111 19268 1 . ASN 112 112 19268 1 . PHE 113 113 19268 1 . THR 114 114 19268 1 . GLU 115 115 19268 1 . THR 116 116 19268 1 . ASP 117 117 19268 1 . VAL 118 118 19268 1 . LYS 119 119 19268 1 . MET 120 120 19268 1 . MET 121 121 19268 1 . GLU 122 122 19268 1 . ARG 123 123 19268 1 . MET 124 124 19268 1 . VAL 125 125 19268 1 . GLU 126 126 19268 1 . GLN 127 127 19268 1 . MET 128 128 19268 1 . CYS 129 129 19268 1 . ILE 130 130 19268 1 . THR 131 131 19268 1 . GLN 132 132 19268 1 . TYR 133 133 19268 1 . GLU 134 134 19268 1 . ARG 135 135 19268 1 . GLU 136 136 19268 1 . SER 137 137 19268 1 . GLN 138 138 19268 1 . ALA 139 139 19268 1 . TYR 140 140 19268 1 . TYR 141 141 19268 1 . GLN 142 142 19268 1 . ARG 143 143 19268 1 . GLY 144 144 19268 1 . SER 145 145 19268 1 . SER 146 146 19268 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 19268 _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 $MAJOR_PRION_PROTEIN . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'PRNP, PRIP, PRP' . . . . 19268 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 19268 _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 $MAJOR_PRION_PROTEIN . 'recombinant technology' 'ESCHERICHIA COLI' . . . ESCHERICHIA COLI . . . . . . . . . . . . . . . . HUPRP . . . . . . 19268 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19268 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 MM [U-99% 13C, U-99% 15N]' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'MAJOR PRION PROTEIN' '[U-99% 13C; U-99% 15N]' . . 1 $MAJOR_PRION_PROTEIN . . 1.0 . . mM . . . . 19268 1 2 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 19268 1 3 'sodium azide' 'natural abundance' . . . . . . 0.005 . . w/v . . . . 19268 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19268 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19268 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19268 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 MM [U-5% 13C, U-99% 15N]' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'MAJOR PRION PROTEIN' '[U-5% 13C; U-99% 15N]' . . 1 $MAJOR_PRION_PROTEIN . . 1.0 . . mM . . . . 19268 2 2 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 19268 2 3 'sodium azide' 'natural abundance' . . . . . . 0.005 . . w/v . . . . 19268 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19268 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19268 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19268 _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' 10 . mM 19268 1 pH 4.6 . pH 19268 1 pressure 1 . atm 19268 1 temperature 299 . K 19268 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 19268 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19268 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19268 1 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 19268 _Software.ID 2 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 19268 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19268 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19268 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19268 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19268 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19268 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19268 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19268 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19268 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19268 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19268 _Software.ID 6 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19268 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19268 6 stop_ save_ save_MOLMOL _Software.Sf_category software _Software.Sf_framecode MOLMOL _Software.Entry_ID 19268 _Software.ID 7 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 19268 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19268 7 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19268 _Software.ID 8 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19268 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19268 8 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 19268 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19268 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19268 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19268 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19268 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 VARIAN INOVA . 500 . 1 $citations 19268 1 2 spectrometer_2 BRUKER AVANCE . 600 . 1 $citations 19268 1 3 spectrometer_3 Bruker Avance . 800 . 1 $citations 19268 1 4 spectrometer_4 Varian INOVA . 900 . 1 $citations 19268 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 19268 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19268 1 2 '2D 1H-13C HSQC ALIPHATIC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19268 1 3 '2D 1H-13C HSQC AROMATIC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19268 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19268 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19268 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19268 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19268 1 8 '3D HCCH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19268 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19268 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19268 1 11 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19268 1 12 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19268 1 13 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19268 1 14 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19268 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19268 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 19268 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19268 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19268 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19268 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 19268 _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 9 '3D 1H-13C NOESY aliphatic' . . . 19268 1 10 '3D 1H-13C NOESY aromatic' . . . 19268 1 15 '3D 1H-15N NOESY' . . . 19268 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.875 0.020 . 1 . . . . 86 GLY HA2 . 19268 1 2 . 1 1 1 1 GLY HA3 H 1 3.875 0.020 . 1 . . . . 86 GLY HA3 . 19268 1 3 . 1 1 1 1 GLY CA C 13 43.411 0.300 . 1 . . . . 86 GLY CA . 19268 1 4 . 1 1 2 2 SER H H 1 8.600 0.020 . 1 . . . . 87 SER H . 19268 1 5 . 1 1 2 2 SER HA H 1 4.473 0.020 . 1 . . . . 87 SER HA . 19268 1 6 . 1 1 2 2 SER HB2 H 1 3.811 0.020 . 1 . . . . 87 SER HB2 . 19268 1 7 . 1 1 2 2 SER HB3 H 1 3.811 0.020 . 1 . . . . 87 SER HB3 . 19268 1 8 . 1 1 2 2 SER CA C 13 58.148 0.300 . 1 . . . . 87 SER CA . 19268 1 9 . 1 1 2 2 SER CB C 13 63.953 0.300 . 1 . . . . 87 SER CB . 19268 1 10 . 1 1 2 2 SER N N 15 115.741 0.300 . 1 . . . . 87 SER N . 19268 1 11 . 1 1 3 3 ASP H H 1 8.438 0.020 . 1 . . . . 88 ASP H . 19268 1 12 . 1 1 3 3 ASP HA H 1 4.881 0.020 . 1 . . . . 88 ASP HA . 19268 1 13 . 1 1 3 3 ASP HB2 H 1 2.722 0.020 . 2 . . . . 88 ASP HB2 . 19268 1 14 . 1 1 3 3 ASP HB3 H 1 2.550 0.020 . 2 . . . . 88 ASP HB3 . 19268 1 15 . 1 1 3 3 ASP CA C 13 54.716 0.300 . 1 . . . . 88 ASP CA . 19268 1 16 . 1 1 3 3 ASP CB C 13 41.367 0.300 . 1 . . . . 88 ASP CB . 19268 1 17 . 1 1 3 3 ASP N N 15 123.605 0.300 . 1 . . . . 88 ASP N . 19268 1 18 . 1 1 4 4 PRO HA H 1 4.400 0.020 . 1 . . . . 89 PRO HA . 19268 1 19 . 1 1 4 4 PRO HB2 H 1 2.260 0.020 . 2 . . . . 89 PRO HB2 . 19268 1 20 . 1 1 4 4 PRO HB3 H 1 1.909 0.020 . 2 . . . . 89 PRO HB3 . 19268 1 21 . 1 1 4 4 PRO HG2 H 1 1.987 0.020 . 1 . . . . 89 PRO HG2 . 19268 1 22 . 1 1 4 4 PRO HG3 H 1 1.987 0.020 . 1 . . . . 89 PRO HG3 . 19268 1 23 . 1 1 4 4 PRO HD2 H 1 3.776 0.020 . 2 . . . . 89 PRO HD2 . 19268 1 24 . 1 1 4 4 PRO HD3 H 1 3.605 0.020 . 2 . . . . 89 PRO HD3 . 19268 1 25 . 1 1 4 4 PRO CA C 13 63.587 0.300 . 1 . . . . 89 PRO CA . 19268 1 26 . 1 1 4 4 PRO CB C 13 32.113 0.300 . 1 . . . . 89 PRO CB . 19268 1 27 . 1 1 4 4 PRO CG C 13 27.136 0.300 . 1 . . . . 89 PRO CG . 19268 1 28 . 1 1 4 4 PRO CD C 13 50.847 0.300 . 1 . . . . 89 PRO CD . 19268 1 29 . 1 1 5 5 GLY H H 1 8.482 0.020 . 1 . . . . 90 GLY H . 19268 1 30 . 1 1 5 5 GLY HA2 H 1 3.902 0.020 . 1 . . . . 90 GLY HA2 . 19268 1 31 . 1 1 5 5 GLY HA3 H 1 3.902 0.020 . 1 . . . . 90 GLY HA3 . 19268 1 32 . 1 1 5 5 GLY CA C 13 45.409 0.300 . 1 . . . . 90 GLY CA . 19268 1 33 . 1 1 5 5 GLY N N 15 108.429 0.300 . 1 . . . . 90 GLY N . 19268 1 34 . 1 1 6 6 GLN H H 1 8.084 0.020 . 1 . . . . 91 GLN H . 19268 1 35 . 1 1 6 6 GLN HA H 1 4.324 0.020 . 1 . . . . 91 GLN HA . 19268 1 36 . 1 1 6 6 GLN HB2 H 1 2.142 0.020 . 2 . . . . 91 GLN HB2 . 19268 1 37 . 1 1 6 6 GLN HB3 H 1 1.962 0.020 . 2 . . . . 91 GLN HB3 . 19268 1 38 . 1 1 6 6 GLN HG2 H 1 2.325 0.020 . 1 . . . . 91 GLN HG2 . 19268 1 39 . 1 1 6 6 GLN HG3 H 1 2.325 0.020 . 1 . . . . 91 GLN HG3 . 19268 1 40 . 1 1 6 6 GLN HE21 H 1 7.362 0.020 . 2 . . . . 91 GLN HE21 . 19268 1 41 . 1 1 6 6 GLN HE22 H 1 6.793 0.020 . 2 . . . . 91 GLN HE22 . 19268 1 42 . 1 1 6 6 GLN CA C 13 55.912 0.300 . 1 . . . . 91 GLN CA . 19268 1 43 . 1 1 6 6 GLN CB C 13 29.280 0.300 . 1 . . . . 91 GLN CB . 19268 1 44 . 1 1 6 6 GLN CG C 13 33.851 0.300 . 1 . . . . 91 GLN CG . 19268 1 45 . 1 1 6 6 GLN N N 15 119.598 0.300 . 1 . . . . 91 GLN N . 19268 1 46 . 1 1 6 6 GLN NE2 N 15 112.348 0.300 . 1 . . . . 91 GLN NE2 . 19268 1 47 . 1 1 7 7 GLY H H 1 8.445 0.020 . 1 . . . . 92 GLY H . 19268 1 48 . 1 1 7 7 GLY HA2 H 1 3.964 0.020 . 1 . . . . 92 GLY HA2 . 19268 1 49 . 1 1 7 7 GLY HA3 H 1 3.964 0.020 . 1 . . . . 92 GLY HA3 . 19268 1 50 . 1 1 7 7 GLY CA C 13 45.430 0.300 . 1 . . . . 92 GLY CA . 19268 1 51 . 1 1 7 7 GLY N N 15 109.845 0.300 . 1 . . . . 92 GLY N . 19268 1 52 . 1 1 8 8 GLY H H 1 8.291 0.020 . 1 . . . . 93 GLY H . 19268 1 53 . 1 1 8 8 GLY HA2 H 1 3.913 0.020 . 1 . . . . 93 GLY HA2 . 19268 1 54 . 1 1 8 8 GLY HA3 H 1 3.913 0.020 . 1 . . . . 93 GLY HA3 . 19268 1 55 . 1 1 8 8 GLY CA C 13 45.274 0.300 . 1 . . . . 93 GLY CA . 19268 1 56 . 1 1 8 8 GLY N N 15 108.591 0.300 . 1 . . . . 93 GLY N . 19268 1 57 . 1 1 9 9 GLY H H 1 8.286 0.020 . 1 . . . . 94 GLY H . 19268 1 58 . 1 1 9 9 GLY HA2 H 1 3.980 0.020 . 1 . . . . 94 GLY HA2 . 19268 1 59 . 1 1 9 9 GLY HA3 H 1 3.980 0.020 . 1 . . . . 94 GLY HA3 . 19268 1 60 . 1 1 9 9 GLY CA C 13 45.229 0.300 . 1 . . . . 94 GLY CA . 19268 1 61 . 1 1 9 9 GLY N N 15 108.815 0.300 . 1 . . . . 94 GLY N . 19268 1 62 . 1 1 10 10 THR H H 1 8.075 0.020 . 1 . . . . 95 THR H . 19268 1 63 . 1 1 10 10 THR HA H 1 4.255 0.020 . 1 . . . . 95 THR HA . 19268 1 64 . 1 1 10 10 THR HB H 1 4.145 0.020 . 1 . . . . 95 THR HB . 19268 1 65 . 1 1 10 10 THR HG21 H 1 1.135 0.020 . 1 . . . . 95 THR HG21 . 19268 1 66 . 1 1 10 10 THR HG22 H 1 1.135 0.020 . 1 . . . . 95 THR HG22 . 19268 1 67 . 1 1 10 10 THR HG23 H 1 1.135 0.020 . 1 . . . . 95 THR HG23 . 19268 1 68 . 1 1 10 10 THR CA C 13 62.262 0.300 . 1 . . . . 95 THR CA . 19268 1 69 . 1 1 10 10 THR CB C 13 69.627 0.300 . 1 . . . . 95 THR CB . 19268 1 70 . 1 1 10 10 THR CG2 C 13 21.605 0.300 . 1 . . . . 95 THR CG2 . 19268 1 71 . 1 1 10 10 THR N N 15 113.428 0.300 . 1 . . . . 95 THR N . 19268 1 72 . 1 1 11 11 HIS H H 1 8.522 0.020 . 1 . . . . 96 HIS H . 19268 1 73 . 1 1 11 11 HIS HA H 1 4.636 0.020 . 1 . . . . 96 HIS HA . 19268 1 74 . 1 1 11 11 HIS HB2 H 1 3.201 0.020 . 2 . . . . 96 HIS HB2 . 19268 1 75 . 1 1 11 11 HIS HB3 H 1 3.113 0.020 . 2 . . . . 96 HIS HB3 . 19268 1 76 . 1 1 11 11 HIS HD2 H 1 7.365 0.020 . 1 . . . . 96 HIS HD2 . 19268 1 77 . 1 1 11 11 HIS CA C 13 55.268 0.300 . 1 . . . . 96 HIS CA . 19268 1 78 . 1 1 11 11 HIS CB C 13 29.219 0.300 . 1 . . . . 96 HIS CB . 19268 1 79 . 1 1 11 11 HIS CD2 C 13 119.831 0.300 . 1 . . . . 96 HIS CD2 . 19268 1 80 . 1 1 11 11 HIS N N 15 120.374 0.300 . 1 . . . . 96 HIS N . 19268 1 81 . 1 1 12 12 SER H H 1 8.258 0.020 . 1 . . . . 97 SER H . 19268 1 82 . 1 1 12 12 SER HA H 1 4.361 0.020 . 1 . . . . 97 SER HA . 19268 1 83 . 1 1 12 12 SER HB2 H 1 3.759 0.020 . 1 . . . . 97 SER HB2 . 19268 1 84 . 1 1 12 12 SER HB3 H 1 3.759 0.020 . 1 . . . . 97 SER HB3 . 19268 1 85 . 1 1 12 12 SER CA C 13 58.543 0.300 . 1 . . . . 97 SER CA . 19268 1 86 . 1 1 12 12 SER CB C 13 63.874 0.300 . 1 . . . . 97 SER CB . 19268 1 87 . 1 1 12 12 SER N N 15 116.904 0.300 . 1 . . . . 97 SER N . 19268 1 88 . 1 1 13 13 GLN H H 1 8.429 0.020 . 1 . . . . 98 GLN H . 19268 1 89 . 1 1 13 13 GLN HA H 1 4.256 0.020 . 1 . . . . 98 GLN HA . 19268 1 90 . 1 1 13 13 GLN HB2 H 1 1.930 0.020 . 2 . . . . 98 GLN HB2 . 19268 1 91 . 1 1 13 13 GLN HB3 H 1 1.838 0.020 . 2 . . . . 98 GLN HB3 . 19268 1 92 . 1 1 13 13 GLN HG2 H 1 2.140 0.020 . 1 . . . . 98 GLN HG2 . 19268 1 93 . 1 1 13 13 GLN HG3 H 1 2.140 0.020 . 1 . . . . 98 GLN HG3 . 19268 1 94 . 1 1 13 13 GLN HE21 H 1 7.425 0.020 . 2 . . . . 98 GLN HE21 . 19268 1 95 . 1 1 13 13 GLN HE22 H 1 6.791 0.020 . 2 . . . . 98 GLN HE22 . 19268 1 96 . 1 1 13 13 GLN CA C 13 56.115 0.300 . 1 . . . . 98 GLN CA . 19268 1 97 . 1 1 13 13 GLN CB C 13 29.287 0.300 . 1 . . . . 98 GLN CB . 19268 1 98 . 1 1 13 13 GLN CG C 13 33.535 0.300 . 1 . . . . 98 GLN CG . 19268 1 99 . 1 1 13 13 GLN N N 15 121.911 0.300 . 1 . . . . 98 GLN N . 19268 1 100 . 1 1 13 13 GLN NE2 N 15 112.561 0.300 . 1 . . . . 98 GLN NE2 . 19268 1 101 . 1 1 14 14 TRP H H 1 8.065 0.020 . 1 . . . . 99 TRP H . 19268 1 102 . 1 1 14 14 TRP HA H 1 4.652 0.020 . 1 . . . . 99 TRP HA . 19268 1 103 . 1 1 14 14 TRP HB2 H 1 3.269 0.020 . 2 . . . . 99 TRP HB2 . 19268 1 104 . 1 1 14 14 TRP HB3 H 1 3.171 0.020 . 2 . . . . 99 TRP HB3 . 19268 1 105 . 1 1 14 14 TRP HD1 H 1 7.212 0.020 . 1 . . . . 99 TRP HD1 . 19268 1 106 . 1 1 14 14 TRP HE1 H 1 10.071 0.020 . 1 . . . . 99 TRP HE1 . 19268 1 107 . 1 1 14 14 TRP HE3 H 1 7.575 0.020 . 1 . . . . 99 TRP HE3 . 19268 1 108 . 1 1 14 14 TRP HZ2 H 1 7.413 0.020 . 1 . . . . 99 TRP HZ2 . 19268 1 109 . 1 1 14 14 TRP HZ3 H 1 7.090 0.020 . 1 . . . . 99 TRP HZ3 . 19268 1 110 . 1 1 14 14 TRP HH2 H 1 7.184 0.020 . 1 . . . . 99 TRP HH2 . 19268 1 111 . 1 1 14 14 TRP CA C 13 57.131 0.300 . 1 . . . . 99 TRP CA . 19268 1 112 . 1 1 14 14 TRP CB C 13 29.585 0.300 . 1 . . . . 99 TRP CB . 19268 1 113 . 1 1 14 14 TRP CD1 C 13 126.676 0.300 . 1 . . . . 99 TRP CD1 . 19268 1 114 . 1 1 14 14 TRP CE3 C 13 120.455 0.300 . 1 . . . . 99 TRP CE3 . 19268 1 115 . 1 1 14 14 TRP CZ2 C 13 114.190 0.300 . 1 . . . . 99 TRP CZ2 . 19268 1 116 . 1 1 14 14 TRP CZ3 C 13 121.629 0.300 . 1 . . . . 99 TRP CZ3 . 19268 1 117 . 1 1 14 14 TRP CH2 C 13 124.243 0.300 . 1 . . . . 99 TRP CH2 . 19268 1 118 . 1 1 14 14 TRP N N 15 121.530 0.300 . 1 . . . . 99 TRP N . 19268 1 119 . 1 1 14 14 TRP NE1 N 15 129.392 0.300 . 1 . . . . 99 TRP NE1 . 19268 1 120 . 1 1 15 15 ASN H H 1 8.065 0.020 . 1 . . . . 100 ASN H . 19268 1 121 . 1 1 15 15 ASN HA H 1 4.584 0.020 . 1 . . . . 100 ASN HA . 19268 1 122 . 1 1 15 15 ASN HB2 H 1 2.555 0.020 . 2 . . . . 100 ASN HB2 . 19268 1 123 . 1 1 15 15 ASN HB3 H 1 2.516 0.020 . 2 . . . . 100 ASN HB3 . 19268 1 124 . 1 1 15 15 ASN HD21 H 1 7.431 0.020 . 2 . . . . 100 ASN HD21 . 19268 1 125 . 1 1 15 15 ASN HD22 H 1 6.783 0.020 . 2 . . . . 100 ASN HD22 . 19268 1 126 . 1 1 15 15 ASN CA C 13 52.795 0.300 . 1 . . . . 100 ASN CA . 19268 1 127 . 1 1 15 15 ASN CB C 13 38.908 0.300 . 1 . . . . 100 ASN CB . 19268 1 128 . 1 1 15 15 ASN N N 15 120.377 0.300 . 1 . . . . 100 ASN N . 19268 1 129 . 1 1 15 15 ASN ND2 N 15 112.046 0.300 . 1 . . . . 100 ASN ND2 . 19268 1 130 . 1 1 16 16 LYS H H 1 7.948 0.020 . 1 . . . . 101 LYS H . 19268 1 131 . 1 1 16 16 LYS HA H 1 4.430 0.020 . 1 . . . . 101 LYS HA . 19268 1 132 . 1 1 16 16 LYS HB2 H 1 1.747 0.020 . 2 . . . . 101 LYS HB2 . 19268 1 133 . 1 1 16 16 LYS HB3 H 1 1.616 0.020 . 2 . . . . 101 LYS HB3 . 19268 1 134 . 1 1 16 16 LYS HG2 H 1 1.365 0.020 . 1 . . . . 101 LYS HG2 . 19268 1 135 . 1 1 16 16 LYS HG3 H 1 1.365 0.020 . 1 . . . . 101 LYS HG3 . 19268 1 136 . 1 1 16 16 LYS HD2 H 1 1.624 0.020 . 1 . . . . 101 LYS HD2 . 19268 1 137 . 1 1 16 16 LYS HD3 H 1 1.624 0.020 . 1 . . . . 101 LYS HD3 . 19268 1 138 . 1 1 16 16 LYS HE2 H 1 2.941 0.020 . 1 . . . . 101 LYS HE2 . 19268 1 139 . 1 1 16 16 LYS HE3 H 1 2.941 0.020 . 1 . . . . 101 LYS HE3 . 19268 1 140 . 1 1 16 16 LYS CA C 13 54.180 0.300 . 1 . . . . 101 LYS CA . 19268 1 141 . 1 1 16 16 LYS CB C 13 32.388 0.300 . 1 . . . . 101 LYS CB . 19268 1 142 . 1 1 16 16 LYS CG C 13 24.909 0.300 . 1 . . . . 101 LYS CG . 19268 1 143 . 1 1 16 16 LYS CD C 13 28.935 0.300 . 1 . . . . 101 LYS CD . 19268 1 144 . 1 1 16 16 LYS CE C 13 42.056 0.300 . 1 . . . . 101 LYS CE . 19268 1 145 . 1 1 16 16 LYS N N 15 122.677 0.300 . 1 . . . . 101 LYS N . 19268 1 146 . 1 1 17 17 PRO HA H 1 4.406 0.020 . 1 . . . . 102 PRO HA . 19268 1 147 . 1 1 17 17 PRO HB2 H 1 2.267 0.020 . 2 . . . . 102 PRO HB2 . 19268 1 148 . 1 1 17 17 PRO HB3 H 1 1.884 0.020 . 2 . . . . 102 PRO HB3 . 19268 1 149 . 1 1 17 17 PRO HG2 H 1 1.992 0.020 . 1 . . . . 102 PRO HG2 . 19268 1 150 . 1 1 17 17 PRO HG3 H 1 1.992 0.020 . 1 . . . . 102 PRO HG3 . 19268 1 151 . 1 1 17 17 PRO HD2 H 1 3.774 0.020 . 2 . . . . 102 PRO HD2 . 19268 1 152 . 1 1 17 17 PRO HD3 H 1 3.605 0.020 . 2 . . . . 102 PRO HD3 . 19268 1 153 . 1 1 17 17 PRO CA C 13 63.094 0.300 . 1 . . . . 102 PRO CA . 19268 1 154 . 1 1 17 17 PRO CB C 13 32.192 0.300 . 1 . . . . 102 PRO CB . 19268 1 155 . 1 1 17 17 PRO CG C 13 27.373 0.300 . 1 . . . . 102 PRO CG . 19268 1 156 . 1 1 17 17 PRO CD C 13 50.759 0.300 . 1 . . . . 102 PRO CD . 19268 1 157 . 1 1 18 18 SER H H 1 8.382 0.020 . 1 . . . . 103 SER H . 19268 1 158 . 1 1 18 18 SER HA H 1 4.407 0.020 . 1 . . . . 103 SER HA . 19268 1 159 . 1 1 18 18 SER HB2 H 1 3.820 0.020 . 1 . . . . 103 SER HB2 . 19268 1 160 . 1 1 18 18 SER HB3 H 1 3.820 0.020 . 1 . . . . 103 SER HB3 . 19268 1 161 . 1 1 18 18 SER CA C 13 58.080 0.300 . 1 . . . . 103 SER CA . 19268 1 162 . 1 1 18 18 SER CB C 13 64.111 0.300 . 1 . . . . 103 SER CB . 19268 1 163 . 1 1 18 18 SER N N 15 116.909 0.300 . 1 . . . . 103 SER N . 19268 1 164 . 1 1 19 19 LYS H H 1 8.279 0.020 . 1 . . . . 104 LYS H . 19268 1 165 . 1 1 19 19 LYS HA H 1 4.600 0.020 . 1 . . . . 104 LYS HA . 19268 1 166 . 1 1 19 19 LYS HB2 H 1 1.799 0.020 . 2 . . . . 104 LYS HB2 . 19268 1 167 . 1 1 19 19 LYS HB3 H 1 1.690 0.020 . 2 . . . . 104 LYS HB3 . 19268 1 168 . 1 1 19 19 LYS HG2 H 1 1.439 0.020 . 1 . . . . 104 LYS HG2 . 19268 1 169 . 1 1 19 19 LYS HG3 H 1 1.439 0.020 . 1 . . . . 104 LYS HG3 . 19268 1 170 . 1 1 19 19 LYS HD2 H 1 1.680 0.020 . 1 . . . . 104 LYS HD2 . 19268 1 171 . 1 1 19 19 LYS HD3 H 1 1.680 0.020 . 1 . . . . 104 LYS HD3 . 19268 1 172 . 1 1 19 19 LYS HE2 H 1 2.975 0.020 . 1 . . . . 104 LYS HE2 . 19268 1 173 . 1 1 19 19 LYS HE3 H 1 2.975 0.020 . 1 . . . . 104 LYS HE3 . 19268 1 174 . 1 1 19 19 LYS CA C 13 54.184 0.300 . 1 . . . . 104 LYS CA . 19268 1 175 . 1 1 19 19 LYS CB C 13 32.388 0.300 . 1 . . . . 104 LYS CB . 19268 1 176 . 1 1 19 19 LYS CG C 13 24.400 0.300 . 1 . . . . 104 LYS CG . 19268 1 177 . 1 1 19 19 LYS CD C 13 28.935 0.300 . 1 . . . . 104 LYS CD . 19268 1 178 . 1 1 19 19 LYS CE C 13 42.056 0.300 . 1 . . . . 104 LYS CE . 19268 1 179 . 1 1 19 19 LYS N N 15 124.225 0.300 . 1 . . . . 104 LYS N . 19268 1 180 . 1 1 20 20 PRO HA H 1 4.396 0.020 . 1 . . . . 105 PRO HA . 19268 1 181 . 1 1 20 20 PRO HB2 H 1 2.266 0.020 . 2 . . . . 105 PRO HB2 . 19268 1 182 . 1 1 20 20 PRO HB3 H 1 1.859 0.020 . 2 . . . . 105 PRO HB3 . 19268 1 183 . 1 1 20 20 PRO HG2 H 1 1.981 0.020 . 1 . . . . 105 PRO HG2 . 19268 1 184 . 1 1 20 20 PRO HG3 H 1 1.981 0.020 . 1 . . . . 105 PRO HG3 . 19268 1 185 . 1 1 20 20 PRO HD2 H 1 3.767 0.020 . 2 . . . . 105 PRO HD2 . 19268 1 186 . 1 1 20 20 PRO HD3 H 1 3.594 0.020 . 2 . . . . 105 PRO HD3 . 19268 1 187 . 1 1 20 20 PRO CA C 13 63.018 0.300 . 1 . . . . 105 PRO CA . 19268 1 188 . 1 1 20 20 PRO CB C 13 32.271 0.300 . 1 . . . . 105 PRO CB . 19268 1 189 . 1 1 20 20 PRO CG C 13 27.373 0.300 . 1 . . . . 105 PRO CG . 19268 1 190 . 1 1 20 20 PRO CD C 13 50.759 0.300 . 1 . . . . 105 PRO CD . 19268 1 191 . 1 1 21 21 LYS H H 1 8.481 0.020 . 1 . . . . 106 LYS H . 19268 1 192 . 1 1 21 21 LYS HA H 1 4.321 0.020 . 1 . . . . 106 LYS HA . 19268 1 193 . 1 1 21 21 LYS HB2 H 1 1.840 0.020 . 2 . . . . 106 LYS HB2 . 19268 1 194 . 1 1 21 21 LYS HB3 H 1 1.747 0.020 . 2 . . . . 106 LYS HB3 . 19268 1 195 . 1 1 21 21 LYS HG2 H 1 1.464 0.020 . 2 . . . . 106 LYS HG2 . 19268 1 196 . 1 1 21 21 LYS HG3 H 1 1.428 0.020 . 2 . . . . 106 LYS HG3 . 19268 1 197 . 1 1 21 21 LYS HD2 H 1 1.679 0.020 . 1 . . . . 106 LYS HD2 . 19268 1 198 . 1 1 21 21 LYS HD3 H 1 1.679 0.020 . 1 . . . . 106 LYS HD3 . 19268 1 199 . 1 1 21 21 LYS HE2 H 1 2.995 0.020 . 1 . . . . 106 LYS HE2 . 19268 1 200 . 1 1 21 21 LYS HE3 H 1 2.995 0.020 . 1 . . . . 106 LYS HE3 . 19268 1 201 . 1 1 21 21 LYS CA C 13 56.420 0.300 . 1 . . . . 106 LYS CA . 19268 1 202 . 1 1 21 21 LYS CB C 13 33.061 0.300 . 1 . . . . 106 LYS CB . 19268 1 203 . 1 1 21 21 LYS CG C 13 25.081 0.300 . 1 . . . . 106 LYS CG . 19268 1 204 . 1 1 21 21 LYS CD C 13 29.111 0.300 . 1 . . . . 106 LYS CD . 19268 1 205 . 1 1 21 21 LYS CE C 13 42.305 0.300 . 1 . . . . 106 LYS CE . 19268 1 206 . 1 1 21 21 LYS N N 15 121.921 0.300 . 1 . . . . 106 LYS N . 19268 1 207 . 1 1 22 22 THR H H 1 8.102 0.020 . 1 . . . . 107 THR H . 19268 1 208 . 1 1 22 22 THR HA H 1 4.304 0.020 . 1 . . . . 107 THR HA . 19268 1 209 . 1 1 22 22 THR HB H 1 4.158 0.020 . 1 . . . . 107 THR HB . 19268 1 210 . 1 1 22 22 THR HG21 H 1 1.159 0.020 . 1 . . . . 107 THR HG21 . 19268 1 211 . 1 1 22 22 THR HG22 H 1 1.159 0.020 . 1 . . . . 107 THR HG22 . 19268 1 212 . 1 1 22 22 THR HG23 H 1 1.159 0.020 . 1 . . . . 107 THR HG23 . 19268 1 213 . 1 1 22 22 THR CA C 13 61.637 0.300 . 1 . . . . 107 THR CA . 19268 1 214 . 1 1 22 22 THR CB C 13 69.799 0.300 . 1 . . . . 107 THR CB . 19268 1 215 . 1 1 22 22 THR CG2 C 13 21.605 0.300 . 1 . . . . 107 THR CG2 . 19268 1 216 . 1 1 22 22 THR N N 15 115.362 0.300 . 1 . . . . 107 THR N . 19268 1 217 . 1 1 23 23 ASN H H 1 8.495 0.020 . 1 . . . . 108 ASN H . 19268 1 218 . 1 1 23 23 ASN HA H 1 4.694 0.020 . 1 . . . . 108 ASN HA . 19268 1 219 . 1 1 23 23 ASN HB2 H 1 2.816 0.020 . 2 . . . . 108 ASN HB2 . 19268 1 220 . 1 1 23 23 ASN HB3 H 1 2.723 0.020 . 2 . . . . 108 ASN HB3 . 19268 1 221 . 1 1 23 23 ASN HD21 H 1 7.557 0.020 . 2 . . . . 108 ASN HD21 . 19268 1 222 . 1 1 23 23 ASN HD22 H 1 6.860 0.020 . 2 . . . . 108 ASN HD22 . 19268 1 223 . 1 1 23 23 ASN CA C 13 53.168 0.300 . 1 . . . . 108 ASN CA . 19268 1 224 . 1 1 23 23 ASN CB C 13 38.750 0.300 . 1 . . . . 108 ASN CB . 19268 1 225 . 1 1 23 23 ASN N N 15 121.166 0.300 . 1 . . . . 108 ASN N . 19268 1 226 . 1 1 23 23 ASN ND2 N 15 112.704 0.300 . 1 . . . . 108 ASN ND2 . 19268 1 227 . 1 1 24 24 MET H H 1 8.302 0.020 . 1 . . . . 109 MET H . 19268 1 228 . 1 1 24 24 MET HA H 1 4.416 0.020 . 1 . . . . 109 MET HA . 19268 1 229 . 1 1 24 24 MET HB2 H 1 2.037 0.020 . 2 . . . . 109 MET HB2 . 19268 1 230 . 1 1 24 24 MET HB3 H 1 1.930 0.020 . 2 . . . . 109 MET HB3 . 19268 1 231 . 1 1 24 24 MET HG2 H 1 2.536 0.020 . 2 . . . . 109 MET HG2 . 19268 1 232 . 1 1 24 24 MET HG3 H 1 2.480 0.020 . 2 . . . . 109 MET HG3 . 19268 1 233 . 1 1 24 24 MET HE1 H 1 1.363 0.020 . 1 . . . . 109 MET HE1 . 19268 1 234 . 1 1 24 24 MET HE2 H 1 1.363 0.020 . 1 . . . . 109 MET HE2 . 19268 1 235 . 1 1 24 24 MET HE3 H 1 1.363 0.020 . 1 . . . . 109 MET HE3 . 19268 1 236 . 1 1 24 24 MET CA C 13 55.573 0.300 . 1 . . . . 109 MET CA . 19268 1 237 . 1 1 24 24 MET CB C 13 31.007 0.300 . 1 . . . . 109 MET CB . 19268 1 238 . 1 1 24 24 MET CG C 13 32.388 0.300 . 1 . . . . 109 MET CG . 19268 1 239 . 1 1 24 24 MET CE C 13 19.096 0.300 . 1 . . . . 109 MET CE . 19268 1 240 . 1 1 24 24 MET N N 15 121.154 0.300 . 1 . . . . 109 MET N . 19268 1 241 . 1 1 25 25 LYS H H 1 8.259 0.020 . 1 . . . . 110 LYS H . 19268 1 242 . 1 1 25 25 LYS HA H 1 4.210 0.020 . 1 . . . . 110 LYS HA . 19268 1 243 . 1 1 25 25 LYS HB2 H 1 1.698 0.020 . 1 . . . . 110 LYS HB2 . 19268 1 244 . 1 1 25 25 LYS HB3 H 1 1.698 0.020 . 1 . . . . 110 LYS HB3 . 19268 1 245 . 1 1 25 25 LYS HG2 H 1 1.388 0.020 . 2 . . . . 110 LYS HG2 . 19268 1 246 . 1 1 25 25 LYS HG3 H 1 1.322 0.020 . 2 . . . . 110 LYS HG3 . 19268 1 247 . 1 1 25 25 LYS HD2 H 1 1.643 0.020 . 1 . . . . 110 LYS HD2 . 19268 1 248 . 1 1 25 25 LYS HD3 H 1 1.643 0.020 . 1 . . . . 110 LYS HD3 . 19268 1 249 . 1 1 25 25 LYS HE2 H 1 2.961 0.020 . 1 . . . . 110 LYS HE2 . 19268 1 250 . 1 1 25 25 LYS HE3 H 1 2.961 0.020 . 1 . . . . 110 LYS HE3 . 19268 1 251 . 1 1 25 25 LYS CA C 13 56.488 0.300 . 1 . . . . 110 LYS CA . 19268 1 252 . 1 1 25 25 LYS CB C 13 33.140 0.300 . 1 . . . . 110 LYS CB . 19268 1 253 . 1 1 25 25 LYS CG C 13 27.017 0.300 . 1 . . . . 110 LYS CG . 19268 1 254 . 1 1 25 25 LYS CD C 13 28.935 0.300 . 1 . . . . 110 LYS CD . 19268 1 255 . 1 1 25 25 LYS CE C 13 42.147 0.300 . 1 . . . . 110 LYS CE . 19268 1 256 . 1 1 25 25 LYS N N 15 122.304 0.300 . 1 . . . . 110 LYS N . 19268 1 257 . 1 1 26 26 HIS H H 1 8.468 0.020 . 1 . . . . 111 HIS H . 19268 1 258 . 1 1 26 26 HIS HA H 1 4.619 0.020 . 1 . . . . 111 HIS HA . 19268 1 259 . 1 1 26 26 HIS HB2 H 1 3.216 0.020 . 2 . . . . 111 HIS HB2 . 19268 1 260 . 1 1 26 26 HIS HB3 H 1 3.107 0.020 . 2 . . . . 111 HIS HB3 . 19268 1 261 . 1 1 26 26 HIS HD2 H 1 7.198 0.020 . 1 . . . . 111 HIS HD2 . 19268 1 262 . 1 1 26 26 HIS CA C 13 55.198 0.300 . 1 . . . . 111 HIS CA . 19268 1 263 . 1 1 26 26 HIS CB C 13 29.111 0.300 . 1 . . . . 111 HIS CB . 19268 1 264 . 1 1 26 26 HIS CD2 C 13 119.620 0.300 . 1 . . . . 111 HIS CD2 . 19268 1 265 . 1 1 26 26 HIS N N 15 119.597 0.300 . 1 . . . . 111 HIS N . 19268 1 266 . 1 1 27 27 MET H H 1 8.385 0.020 . 1 . . . . 112 MET H . 19268 1 267 . 1 1 27 27 MET HA H 1 4.434 0.020 . 1 . . . . 112 MET HA . 19268 1 268 . 1 1 27 27 MET HB2 H 1 2.042 0.020 . 2 . . . . 112 MET HB2 . 19268 1 269 . 1 1 27 27 MET HB3 H 1 1.936 0.020 . 2 . . . . 112 MET HB3 . 19268 1 270 . 1 1 27 27 MET HG2 H 1 2.543 0.020 . 2 . . . . 112 MET HG2 . 19268 1 271 . 1 1 27 27 MET HG3 H 1 2.478 0.020 . 2 . . . . 112 MET HG3 . 19268 1 272 . 1 1 27 27 MET HE1 H 1 2.061 0.020 . 1 . . . . 112 MET HE1 . 19268 1 273 . 1 1 27 27 MET HE2 H 1 2.061 0.020 . 1 . . . . 112 MET HE2 . 19268 1 274 . 1 1 27 27 MET HE3 H 1 2.061 0.020 . 1 . . . . 112 MET HE3 . 19268 1 275 . 1 1 27 27 MET CA C 13 55.302 0.300 . 1 . . . . 112 MET CA . 19268 1 276 . 1 1 27 27 MET CB C 13 33.078 0.300 . 1 . . . . 112 MET CB . 19268 1 277 . 1 1 27 27 MET CG C 13 32.042 0.300 . 1 . . . . 112 MET CG . 19268 1 278 . 1 1 27 27 MET CE C 13 16.934 0.300 . 1 . . . . 112 MET CE . 19268 1 279 . 1 1 27 27 MET N N 15 122.696 0.300 . 1 . . . . 112 MET N . 19268 1 280 . 1 1 28 28 ALA H H 1 8.390 0.020 . 1 . . . . 113 ALA H . 19268 1 281 . 1 1 28 28 ALA HA H 1 4.295 0.020 . 1 . . . . 113 ALA HA . 19268 1 282 . 1 1 28 28 ALA HB1 H 1 1.357 0.020 . 1 . . . . 113 ALA HB1 . 19268 1 283 . 1 1 28 28 ALA HB2 H 1 1.357 0.020 . 1 . . . . 113 ALA HB2 . 19268 1 284 . 1 1 28 28 ALA HB3 H 1 1.357 0.020 . 1 . . . . 113 ALA HB3 . 19268 1 285 . 1 1 28 28 ALA CA C 13 52.500 0.300 . 1 . . . . 113 ALA CA . 19268 1 286 . 1 1 28 28 ALA CB C 13 19.000 0.300 . 1 . . . . 113 ALA CB . 19268 1 287 . 1 1 28 28 ALA N N 15 125.770 0.300 . 1 . . . . 113 ALA N . 19268 1 288 . 1 1 29 29 GLY H H 1 8.356 0.020 . 1 . . . . 114 GLY H . 19268 1 289 . 1 1 29 29 GLY HA2 H 1 3.914 0.020 . 1 . . . . 114 GLY HA2 . 19268 1 290 . 1 1 29 29 GLY HA3 H 1 3.914 0.020 . 1 . . . . 114 GLY HA3 . 19268 1 291 . 1 1 29 29 GLY CA C 13 45.240 0.300 . 1 . . . . 114 GLY CA . 19268 1 292 . 1 1 29 29 GLY N N 15 108.458 0.300 . 1 . . . . 114 GLY N . 19268 1 293 . 1 1 30 30 ALA H H 1 8.107 0.020 . 1 . . . . 115 ALA H . 19268 1 294 . 1 1 30 30 ALA HA H 1 4.277 0.020 . 1 . . . . 115 ALA HA . 19268 1 295 . 1 1 30 30 ALA HB1 H 1 1.349 0.020 . 1 . . . . 115 ALA HB1 . 19268 1 296 . 1 1 30 30 ALA HB2 H 1 1.349 0.020 . 1 . . . . 115 ALA HB2 . 19268 1 297 . 1 1 30 30 ALA HB3 H 1 1.349 0.020 . 1 . . . . 115 ALA HB3 . 19268 1 298 . 1 1 30 30 ALA CA C 13 52.524 0.300 . 1 . . . . 115 ALA CA . 19268 1 299 . 1 1 30 30 ALA CB C 13 19.393 0.300 . 1 . . . . 115 ALA CB . 19268 1 300 . 1 1 30 30 ALA N N 15 123.843 0.300 . 1 . . . . 115 ALA N . 19268 1 301 . 1 1 31 31 ALA H H 1 8.241 0.020 . 1 . . . . 116 ALA H . 19268 1 302 . 1 1 31 31 ALA HA H 1 4.264 0.020 . 1 . . . . 116 ALA HA . 19268 1 303 . 1 1 31 31 ALA HB1 H 1 1.355 0.020 . 1 . . . . 116 ALA HB1 . 19268 1 304 . 1 1 31 31 ALA HB2 H 1 1.355 0.020 . 1 . . . . 116 ALA HB2 . 19268 1 305 . 1 1 31 31 ALA HB3 H 1 1.355 0.020 . 1 . . . . 116 ALA HB3 . 19268 1 306 . 1 1 31 31 ALA CA C 13 52.472 0.300 . 1 . . . . 116 ALA CA . 19268 1 307 . 1 1 31 31 ALA CB C 13 19.235 0.300 . 1 . . . . 116 ALA CB . 19268 1 308 . 1 1 31 31 ALA N N 15 123.101 0.300 . 1 . . . . 116 ALA N . 19268 1 309 . 1 1 32 32 ALA H H 1 8.155 0.020 . 1 . . . . 117 ALA H . 19268 1 310 . 1 1 32 32 ALA HA H 1 4.246 0.020 . 1 . . . . 117 ALA HA . 19268 1 311 . 1 1 32 32 ALA HB1 H 1 1.355 0.020 . 1 . . . . 117 ALA HB1 . 19268 1 312 . 1 1 32 32 ALA HB2 H 1 1.355 0.020 . 1 . . . . 117 ALA HB2 . 19268 1 313 . 1 1 32 32 ALA HB3 H 1 1.355 0.020 . 1 . . . . 117 ALA HB3 . 19268 1 314 . 1 1 32 32 ALA CA C 13 52.433 0.300 . 1 . . . . 117 ALA CA . 19268 1 315 . 1 1 32 32 ALA CB C 13 19.235 0.300 . 1 . . . . 117 ALA CB . 19268 1 316 . 1 1 32 32 ALA N N 15 123.228 0.300 . 1 . . . . 117 ALA N . 19268 1 317 . 1 1 33 33 ALA H H 1 8.188 0.020 . 1 . . . . 118 ALA H . 19268 1 318 . 1 1 33 33 ALA HA H 1 3.919 0.020 . 1 . . . . 118 ALA HA . 19268 1 319 . 1 1 33 33 ALA HB1 H 1 1.363 0.020 . 1 . . . . 118 ALA HB1 . 19268 1 320 . 1 1 33 33 ALA HB2 H 1 1.363 0.020 . 1 . . . . 118 ALA HB2 . 19268 1 321 . 1 1 33 33 ALA HB3 H 1 1.363 0.020 . 1 . . . . 118 ALA HB3 . 19268 1 322 . 1 1 33 33 ALA CA C 13 52.539 0.300 . 1 . . . . 118 ALA CA . 19268 1 323 . 1 1 33 33 ALA CB C 13 19.156 0.300 . 1 . . . . 118 ALA CB . 19268 1 324 . 1 1 33 33 ALA N N 15 123.218 0.300 . 1 . . . . 118 ALA N . 19268 1 325 . 1 1 34 34 GLY H H 1 8.233 0.020 . 1 . . . . 119 GLY H . 19268 1 326 . 1 1 34 34 GLY HA2 H 1 3.901 0.020 . 1 . . . . 119 GLY HA2 . 19268 1 327 . 1 1 34 34 GLY HA3 H 1 3.901 0.020 . 1 . . . . 119 GLY HA3 . 19268 1 328 . 1 1 34 34 GLY CA C 13 45.240 0.300 . 1 . . . . 119 GLY CA . 19268 1 329 . 1 1 34 34 GLY N N 15 108.025 0.300 . 1 . . . . 119 GLY N . 19268 1 330 . 1 1 35 35 ALA H H 1 8.033 0.020 . 1 . . . A 120 ALA H . 19268 1 331 . 1 1 35 35 ALA HA H 1 3.899 0.020 . 1 . . . A 120 ALA HA . 19268 1 332 . 1 1 35 35 ALA HB1 H 1 1.333 0.020 . 1 . . . A 120 ALA HB1 . 19268 1 333 . 1 1 35 35 ALA HB2 H 1 1.333 0.020 . 1 . . . A 120 ALA HB2 . 19268 1 334 . 1 1 35 35 ALA HB3 H 1 1.333 0.020 . 1 . . . A 120 ALA HB3 . 19268 1 335 . 1 1 35 35 ALA CA C 13 52.228 0.300 . 1 . . . A 120 ALA CA . 19268 1 336 . 1 1 35 35 ALA CB C 13 19.800 0.300 . 1 . . . A 120 ALA CB . 19268 1 337 . 1 1 35 35 ALA N N 15 123.467 0.300 . 1 . . . A 120 ALA N . 19268 1 338 . 1 1 36 36 VAL H H 1 8.091 0.020 . 1 . . . A 121 VAL H . 19268 1 339 . 1 1 36 36 VAL HA H 1 4.111 0.020 . 1 . . . A 121 VAL HA . 19268 1 340 . 1 1 36 36 VAL HB H 1 1.990 0.020 . 1 . . . A 121 VAL HB . 19268 1 341 . 1 1 36 36 VAL HG11 H 1 0.868 0.020 . 2 . . . A 121 VAL HG11 . 19268 1 342 . 1 1 36 36 VAL HG12 H 1 0.868 0.020 . 2 . . . A 121 VAL HG12 . 19268 1 343 . 1 1 36 36 VAL HG13 H 1 0.868 0.020 . 2 . . . A 121 VAL HG13 . 19268 1 344 . 1 1 36 36 VAL HG21 H 1 0.829 0.020 . 2 . . . A 121 VAL HG21 . 19268 1 345 . 1 1 36 36 VAL HG22 H 1 0.829 0.020 . 2 . . . A 121 VAL HG22 . 19268 1 346 . 1 1 36 36 VAL HG23 H 1 0.829 0.020 . 2 . . . A 121 VAL HG23 . 19268 1 347 . 1 1 36 36 VAL CA C 13 62.163 0.300 . 1 . . . A 121 VAL CA . 19268 1 348 . 1 1 36 36 VAL CB C 13 32.473 0.300 . 1 . . . A 121 VAL CB . 19268 1 349 . 1 1 36 36 VAL CG1 C 13 21.200 0.300 . 1 . . . A 121 VAL CG1 . 19268 1 350 . 1 1 36 36 VAL CG2 C 13 21.200 0.300 . 1 . . . A 121 VAL CG2 . 19268 1 351 . 1 1 36 36 VAL N N 15 119.624 0.300 . 1 . . . A 121 VAL N . 19268 1 352 . 1 1 37 37 VAL H H 1 8.224 0.020 . 1 . . . A 122 VAL H . 19268 1 353 . 1 1 37 37 VAL HA H 1 4.070 0.020 . 1 . . . A 122 VAL HA . 19268 1 354 . 1 1 37 37 VAL HB H 1 1.985 0.020 . 1 . . . A 122 VAL HB . 19268 1 355 . 1 1 37 37 VAL HG11 H 1 0.870 0.020 . 2 . . . A 122 VAL HG11 . 19268 1 356 . 1 1 37 37 VAL HG12 H 1 0.870 0.020 . 2 . . . A 122 VAL HG12 . 19268 1 357 . 1 1 37 37 VAL HG13 H 1 0.870 0.020 . 2 . . . A 122 VAL HG13 . 19268 1 358 . 1 1 37 37 VAL HG21 H 1 0.830 0.020 . 2 . . . A 122 VAL HG21 . 19268 1 359 . 1 1 37 37 VAL HG22 H 1 0.830 0.020 . 2 . . . A 122 VAL HG22 . 19268 1 360 . 1 1 37 37 VAL HG23 H 1 0.830 0.020 . 2 . . . A 122 VAL HG23 . 19268 1 361 . 1 1 37 37 VAL CA C 13 62.427 0.300 . 1 . . . A 122 VAL CA . 19268 1 362 . 1 1 37 37 VAL CB C 13 32.655 0.300 . 1 . . . A 122 VAL CB . 19268 1 363 . 1 1 37 37 VAL CG1 C 13 21.200 0.300 . 1 . . . A 122 VAL CG1 . 19268 1 364 . 1 1 37 37 VAL CG2 C 13 21.200 0.300 . 1 . . . A 122 VAL CG2 . 19268 1 365 . 1 1 37 37 VAL N N 15 124.582 0.300 . 1 . . . A 122 VAL N . 19268 1 366 . 1 1 38 38 GLY H H 1 8.528 0.020 . 1 . . . A 123 GLY H . 19268 1 367 . 1 1 38 38 GLY HA2 H 1 3.913 0.020 . 1 . . . A 123 GLY HA2 . 19268 1 368 . 1 1 38 38 GLY HA3 H 1 3.913 0.020 . 1 . . . A 123 GLY HA3 . 19268 1 369 . 1 1 38 38 GLY CA C 13 45.376 0.300 . 1 . . . A 123 GLY CA . 19268 1 370 . 1 1 38 38 GLY N N 15 113.420 0.300 . 1 . . . A 123 GLY N . 19268 1 371 . 1 1 39 39 GLY H H 1 8.228 0.020 . 1 . . . A 124 GLY H . 19268 1 372 . 1 1 39 39 GLY HA2 H 1 3.917 0.020 . 1 . . . A 124 GLY HA2 . 19268 1 373 . 1 1 39 39 GLY HA3 H 1 3.917 0.020 . 1 . . . A 124 GLY HA3 . 19268 1 374 . 1 1 39 39 GLY CA C 13 45.342 0.300 . 1 . . . A 124 GLY CA . 19268 1 375 . 1 1 39 39 GLY N N 15 108.438 0.300 . 1 . . . A 124 GLY N . 19268 1 376 . 1 1 40 40 LEU H H 1 8.171 0.020 . 1 . . . A 125 LEU H . 19268 1 377 . 1 1 40 40 LEU HA H 1 4.344 0.020 . 1 . . . A 125 LEU HA . 19268 1 378 . 1 1 40 40 LEU HB2 H 1 1.585 0.020 . 2 . . . A 125 LEU HB2 . 19268 1 379 . 1 1 40 40 LEU HB3 H 1 1.521 0.020 . 2 . . . A 125 LEU HB3 . 19268 1 380 . 1 1 40 40 LEU HG H 1 1.473 0.020 . 1 . . . A 125 LEU HG . 19268 1 381 . 1 1 40 40 LEU HD11 H 1 0.670 0.020 . 2 . . . A 125 LEU HD11 . 19268 1 382 . 1 1 40 40 LEU HD12 H 1 0.670 0.020 . 2 . . . A 125 LEU HD12 . 19268 1 383 . 1 1 40 40 LEU HD13 H 1 0.670 0.020 . 2 . . . A 125 LEU HD13 . 19268 1 384 . 1 1 40 40 LEU HD21 H 1 0.566 0.020 . 2 . . . A 125 LEU HD21 . 19268 1 385 . 1 1 40 40 LEU HD22 H 1 0.566 0.020 . 2 . . . A 125 LEU HD22 . 19268 1 386 . 1 1 40 40 LEU HD23 H 1 0.566 0.020 . 2 . . . A 125 LEU HD23 . 19268 1 387 . 1 1 40 40 LEU CA C 13 54.900 0.300 . 1 . . . A 125 LEU CA . 19268 1 388 . 1 1 40 40 LEU CB C 13 42.609 0.300 . 1 . . . A 125 LEU CB . 19268 1 389 . 1 1 40 40 LEU CG C 13 27.009 0.300 . 1 . . . A 125 LEU CG . 19268 1 390 . 1 1 40 40 LEU CD1 C 13 24.525 0.300 . 1 . . . A 125 LEU CD1 . 19268 1 391 . 1 1 40 40 LEU CD2 C 13 23.500 0.300 . 1 . . . A 125 LEU CD2 . 19268 1 392 . 1 1 40 40 LEU N N 15 121.917 0.300 . 1 . . . A 125 LEU N . 19268 1 393 . 1 1 41 41 GLY H H 1 8.468 0.020 . 1 . . . A 126 GLY H . 19268 1 394 . 1 1 41 41 GLY HA2 H 1 3.920 0.020 . 2 . . . A 126 GLY HA2 . 19268 1 395 . 1 1 41 41 GLY HA3 H 1 3.861 0.020 . 2 . . . A 126 GLY HA3 . 19268 1 396 . 1 1 41 41 GLY CA C 13 46.197 0.300 . 1 . . . A 126 GLY CA . 19268 1 397 . 1 1 41 41 GLY N N 15 109.965 0.300 . 1 . . . A 126 GLY N . 19268 1 398 . 1 1 42 42 GLY H H 1 8.282 0.020 . 1 . . . A 127 GLY H . 19268 1 399 . 1 1 42 42 GLY HA2 H 1 3.854 0.020 . 2 . . . A 127 GLY HA2 . 19268 1 400 . 1 1 42 42 GLY HA3 H 1 3.720 0.020 . 2 . . . A 127 GLY HA3 . 19268 1 401 . 1 1 42 42 GLY CA C 13 45.163 0.300 . 1 . . . A 127 GLY CA . 19268 1 402 . 1 1 42 42 GLY N N 15 108.830 0.300 . 1 . . . A 127 GLY N . 19268 1 403 . 1 1 43 43 TYR H H 1 7.700 0.020 . 1 . . . A 128 TYR H . 19268 1 404 . 1 1 43 43 TYR HA H 1 4.468 0.020 . 1 . . . A 128 TYR HA . 19268 1 405 . 1 1 43 43 TYR HB2 H 1 2.827 0.020 . 1 . . . A 128 TYR HB2 . 19268 1 406 . 1 1 43 43 TYR HB3 H 1 2.827 0.020 . 1 . . . A 128 TYR HB3 . 19268 1 407 . 1 1 43 43 TYR HD1 H 1 6.792 0.020 . 1 . . . A 128 TYR HD1 . 19268 1 408 . 1 1 43 43 TYR HD2 H 1 6.792 0.020 . 1 . . . A 128 TYR HD2 . 19268 1 409 . 1 1 43 43 TYR HE1 H 1 6.625 0.020 . 1 . . . A 128 TYR HE1 . 19268 1 410 . 1 1 43 43 TYR HE2 H 1 6.625 0.020 . 1 . . . A 128 TYR HE2 . 19268 1 411 . 1 1 43 43 TYR CA C 13 58.046 0.300 . 1 . . . A 128 TYR CA . 19268 1 412 . 1 1 43 43 TYR CB C 13 40.257 0.300 . 1 . . . A 128 TYR CB . 19268 1 413 . 1 1 43 43 TYR CD1 C 13 132.388 0.300 . 1 . . . A 128 TYR CD1 . 19268 1 414 . 1 1 43 43 TYR CE1 C 13 117.897 0.300 . 1 . . . A 128 TYR CE1 . 19268 1 415 . 1 1 43 43 TYR N N 15 117.667 0.300 . 1 . . . A 128 TYR N . 19268 1 416 . 1 1 44 44 MET H H 1 8.984 0.020 . 1 . . . A 129 MET H . 19268 1 417 . 1 1 44 44 MET HA H 1 4.501 0.020 . 1 . . . A 129 MET HA . 19268 1 418 . 1 1 44 44 MET HB2 H 1 1.534 0.020 . 2 . . . A 129 MET HB2 . 19268 1 419 . 1 1 44 44 MET HB3 H 1 0.899 0.020 . 2 . . . A 129 MET HB3 . 19268 1 420 . 1 1 44 44 MET HG2 H 1 2.195 0.020 . 1 . . . A 129 MET HG2 . 19268 1 421 . 1 1 44 44 MET HG3 H 1 2.195 0.020 . 1 . . . A 129 MET HG3 . 19268 1 422 . 1 1 44 44 MET HE1 H 1 1.969 0.020 . 1 . . . A 129 MET HE1 . 19268 1 423 . 1 1 44 44 MET HE2 H 1 1.969 0.020 . 1 . . . A 129 MET HE2 . 19268 1 424 . 1 1 44 44 MET HE3 H 1 1.969 0.020 . 1 . . . A 129 MET HE3 . 19268 1 425 . 1 1 44 44 MET CA C 13 53.699 0.300 . 1 . . . A 129 MET CA . 19268 1 426 . 1 1 44 44 MET CB C 13 34.459 0.300 . 1 . . . A 129 MET CB . 19268 1 427 . 1 1 44 44 MET CG C 13 32.183 0.300 . 1 . . . A 129 MET CG . 19268 1 428 . 1 1 44 44 MET CE C 13 17.390 0.300 . 1 . . . A 129 MET CE . 19268 1 429 . 1 1 44 44 MET N N 15 120.799 0.300 . 1 . . . A 129 MET N . 19268 1 430 . 1 1 45 45 LEU H H 1 8.037 0.020 . 1 . . . A 130 LEU H . 19268 1 431 . 1 1 45 45 LEU HA H 1 4.460 0.020 . 1 . . . A 130 LEU HA . 19268 1 432 . 1 1 45 45 LEU HB2 H 1 1.567 0.020 . 2 . . . A 130 LEU HB2 . 19268 1 433 . 1 1 45 45 LEU HB3 H 1 0.928 0.020 . 2 . . . A 130 LEU HB3 . 19268 1 434 . 1 1 45 45 LEU HG H 1 1.342 0.020 . 1 . . . A 130 LEU HG . 19268 1 435 . 1 1 45 45 LEU HD11 H 1 0.590 0.020 . 2 . . . A 130 LEU HD11 . 19268 1 436 . 1 1 45 45 LEU HD12 H 1 0.590 0.020 . 2 . . . A 130 LEU HD12 . 19268 1 437 . 1 1 45 45 LEU HD13 H 1 0.590 0.020 . 2 . . . A 130 LEU HD13 . 19268 1 438 . 1 1 45 45 LEU HD21 H 1 -0.033 0.020 . 2 . . . A 130 LEU HD21 . 19268 1 439 . 1 1 45 45 LEU HD22 H 1 -0.033 0.020 . 2 . . . A 130 LEU HD22 . 19268 1 440 . 1 1 45 45 LEU HD23 H 1 -0.033 0.020 . 2 . . . A 130 LEU HD23 . 19268 1 441 . 1 1 45 45 LEU CA C 13 53.104 0.300 . 1 . . . A 130 LEU CA . 19268 1 442 . 1 1 45 45 LEU CB C 13 43.706 0.300 . 1 . . . A 130 LEU CB . 19268 1 443 . 1 1 45 45 LEU CG C 13 25.700 0.300 . 1 . . . A 130 LEU CG . 19268 1 444 . 1 1 45 45 LEU CD1 C 13 25.700 0.300 . 1 . . . A 130 LEU CD1 . 19268 1 445 . 1 1 45 45 LEU CD2 C 13 21.700 0.300 . 1 . . . A 130 LEU CD2 . 19268 1 446 . 1 1 45 45 LEU N N 15 121.559 0.300 . 1 . . . A 130 LEU N . 19268 1 447 . 1 1 46 46 GLY H H 1 9.293 0.020 . 1 . . . A 131 GLY H . 19268 1 448 . 1 1 46 46 GLY HA2 H 1 4.409 0.020 . 2 . . . A 131 GLY HA2 . 19268 1 449 . 1 1 46 46 GLY HA3 H 1 3.975 0.020 . 2 . . . A 131 GLY HA3 . 19268 1 450 . 1 1 46 46 GLY CA C 13 44.810 0.300 . 1 . . . A 131 GLY CA . 19268 1 451 . 1 1 46 46 GLY N N 15 114.981 0.300 . 1 . . . A 131 GLY N . 19268 1 452 . 1 1 47 47 SER H H 1 8.348 0.020 . 1 . . . A 132 SER H . 19268 1 453 . 1 1 47 47 SER HA H 1 4.391 0.020 . 1 . . . A 132 SER HA . 19268 1 454 . 1 1 47 47 SER HB2 H 1 3.928 0.020 . 1 . . . A 132 SER HB2 . 19268 1 455 . 1 1 47 47 SER HB3 H 1 3.928 0.020 . 1 . . . A 132 SER HB3 . 19268 1 456 . 1 1 47 47 SER CA C 13 58.520 0.300 . 1 . . . A 132 SER CA . 19268 1 457 . 1 1 47 47 SER CB C 13 64.166 0.300 . 1 . . . A 132 SER CB . 19268 1 458 . 1 1 47 47 SER N N 15 113.682 0.300 . 1 . . . A 132 SER N . 19268 1 459 . 1 1 48 48 ALA H H 1 8.755 0.020 . 1 . . . A 133 ALA H . 19268 1 460 . 1 1 48 48 ALA HA H 1 4.384 0.020 . 1 . . . A 133 ALA HA . 19268 1 461 . 1 1 48 48 ALA HB1 H 1 1.254 0.020 . 1 . . . A 133 ALA HB1 . 19268 1 462 . 1 1 48 48 ALA HB2 H 1 1.254 0.020 . 1 . . . A 133 ALA HB2 . 19268 1 463 . 1 1 48 48 ALA HB3 H 1 1.254 0.020 . 1 . . . A 133 ALA HB3 . 19268 1 464 . 1 1 48 48 ALA CA C 13 52.931 0.300 . 1 . . . A 133 ALA CA . 19268 1 465 . 1 1 48 48 ALA CB C 13 18.465 0.300 . 1 . . . A 133 ALA CB . 19268 1 466 . 1 1 48 48 ALA N N 15 125.770 0.300 . 1 . . . A 133 ALA N . 19268 1 467 . 1 1 49 49 MET H H 1 8.676 0.020 . 1 . . . A 134 MET H . 19268 1 468 . 1 1 49 49 MET HA H 1 4.734 0.020 . 1 . . . A 134 MET HA . 19268 1 469 . 1 1 49 49 MET HB2 H 1 1.994 0.020 . 1 . . . A 134 MET HB2 . 19268 1 470 . 1 1 49 49 MET HB3 H 1 1.994 0.020 . 1 . . . A 134 MET HB3 . 19268 1 471 . 1 1 49 49 MET HG2 H 1 2.443 0.020 . 2 . . . A 134 MET HG2 . 19268 1 472 . 1 1 49 49 MET HG3 H 1 2.361 0.020 . 2 . . . A 134 MET HG3 . 19268 1 473 . 1 1 49 49 MET HE1 H 1 2.125 0.020 . 1 . . . A 134 MET HE1 . 19268 1 474 . 1 1 49 49 MET HE2 H 1 2.125 0.020 . 1 . . . A 134 MET HE2 . 19268 1 475 . 1 1 49 49 MET HE3 H 1 2.125 0.020 . 1 . . . A 134 MET HE3 . 19268 1 476 . 1 1 49 49 MET CA C 13 53.845 0.300 . 1 . . . A 134 MET CA . 19268 1 477 . 1 1 49 49 MET CB C 13 37.222 0.300 . 1 . . . A 134 MET CB . 19268 1 478 . 1 1 49 49 MET CG C 13 30.661 0.300 . 1 . . . A 134 MET CG . 19268 1 479 . 1 1 49 49 MET CE C 13 17.440 0.300 . 1 . . . A 134 MET CE . 19268 1 480 . 1 1 49 49 MET N N 15 120.750 0.300 . 1 . . . A 134 MET N . 19268 1 481 . 1 1 50 50 SER H H 1 8.416 0.020 . 1 . . . A 135 SER H . 19268 1 482 . 1 1 50 50 SER HA H 1 4.309 0.020 . 1 . . . A 135 SER HA . 19268 1 483 . 1 1 50 50 SER HB2 H 1 3.740 0.020 . 1 . . . A 135 SER HB2 . 19268 1 484 . 1 1 50 50 SER HB3 H 1 3.740 0.020 . 1 . . . A 135 SER HB3 . 19268 1 485 . 1 1 50 50 SER CA C 13 59.074 0.300 . 1 . . . A 135 SER CA . 19268 1 486 . 1 1 50 50 SER CB C 13 63.575 0.300 . 1 . . . A 135 SER CB . 19268 1 487 . 1 1 50 50 SER N N 15 116.137 0.300 . 1 . . . A 135 SER N . 19268 1 488 . 1 1 51 51 ARG H H 1 8.580 0.020 . 1 . . . A 136 ARG H . 19268 1 489 . 1 1 51 51 ARG HE H 1 6.526 0.020 . 1 . . . A 136 ARG HE . 19268 1 490 . 1 1 51 51 ARG CA C 13 54.895 0.300 . 1 . . . A 136 ARG CA . 19268 1 491 . 1 1 51 51 ARG N N 15 126.711 0.300 . 1 . . . A 136 ARG N . 19268 1 492 . 1 1 51 51 ARG NE N 15 86.110 0.300 . 1 . . . A 136 ARG NE . 19268 1 493 . 1 1 52 52 PRO HA H 1 4.413 0.020 . 1 . . . A 137 PRO HA . 19268 1 494 . 1 1 52 52 PRO HB2 H 1 1.731 0.020 . 1 . . . A 137 PRO HB2 . 19268 1 495 . 1 1 52 52 PRO HB3 H 1 2.212 0.020 . 1 . . . A 137 PRO HB3 . 19268 1 496 . 1 1 52 52 PRO HG2 H 1 1.745 0.020 . 1 . . . A 137 PRO HG2 . 19268 1 497 . 1 1 52 52 PRO HG3 H 1 1.745 0.020 . 1 . . . A 137 PRO HG3 . 19268 1 498 . 1 1 52 52 PRO HD2 H 1 3.861 0.020 . 2 . . . A 137 PRO HD2 . 19268 1 499 . 1 1 52 52 PRO HD3 H 1 3.784 0.020 . 2 . . . A 137 PRO HD3 . 19268 1 500 . 1 1 52 52 PRO CA C 13 62.145 0.300 . 1 . . . A 137 PRO CA . 19268 1 501 . 1 1 52 52 PRO CB C 13 32.271 0.300 . 1 . . . A 137 PRO CB . 19268 1 502 . 1 1 52 52 PRO CG C 13 27.531 0.300 . 1 . . . A 137 PRO CG . 19268 1 503 . 1 1 52 52 PRO CD C 13 50.838 0.300 . 1 . . . A 137 PRO CD . 19268 1 504 . 1 1 53 53 ILE H H 1 8.670 0.020 . 1 . . . A 138 ILE H . 19268 1 505 . 1 1 53 53 ILE HA H 1 4.139 0.020 . 1 . . . A 138 ILE HA . 19268 1 506 . 1 1 53 53 ILE HB H 1 1.907 0.020 . 1 . . . A 138 ILE HB . 19268 1 507 . 1 1 53 53 ILE HG12 H 1 1.550 0.020 . 2 . . . A 138 ILE HG12 . 19268 1 508 . 1 1 53 53 ILE HG13 H 1 1.373 0.020 . 2 . . . A 138 ILE HG13 . 19268 1 509 . 1 1 53 53 ILE HG21 H 1 0.691 0.020 . 1 . . . A 138 ILE HG21 . 19268 1 510 . 1 1 53 53 ILE HG22 H 1 0.691 0.020 . 1 . . . A 138 ILE HG22 . 19268 1 511 . 1 1 53 53 ILE HG23 H 1 0.691 0.020 . 1 . . . A 138 ILE HG23 . 19268 1 512 . 1 1 53 53 ILE HD11 H 1 0.861 0.020 . 1 . . . A 138 ILE HD11 . 19268 1 513 . 1 1 53 53 ILE HD12 H 1 0.861 0.020 . 1 . . . A 138 ILE HD12 . 19268 1 514 . 1 1 53 53 ILE HD13 H 1 0.861 0.020 . 1 . . . A 138 ILE HD13 . 19268 1 515 . 1 1 53 53 ILE CA C 13 60.892 0.300 . 1 . . . A 138 ILE CA . 19268 1 516 . 1 1 53 53 ILE CB C 13 36.300 0.300 . 1 . . . A 138 ILE CB . 19268 1 517 . 1 1 53 53 ILE CG1 C 13 27.209 0.300 . 1 . . . A 138 ILE CG1 . 19268 1 518 . 1 1 53 53 ILE CG2 C 13 17.030 0.300 . 1 . . . A 138 ILE CG2 . 19268 1 519 . 1 1 53 53 ILE CD1 C 13 11.000 0.300 . 1 . . . A 138 ILE CD1 . 19268 1 520 . 1 1 53 53 ILE N N 15 122.330 0.300 . 1 . . . A 138 ILE N . 19268 1 521 . 1 1 54 54 ILE H H 1 6.219 0.020 . 1 . . . A 139 ILE H . 19268 1 522 . 1 1 54 54 ILE HA H 1 3.890 0.020 . 1 . . . A 139 ILE HA . 19268 1 523 . 1 1 54 54 ILE HB H 1 0.780 0.020 . 1 . . . A 139 ILE HB . 19268 1 524 . 1 1 54 54 ILE HG12 H 1 0.841 0.020 . 2 . . . A 139 ILE HG12 . 19268 1 525 . 1 1 54 54 ILE HG13 H 1 0.825 0.020 . 2 . . . A 139 ILE HG13 . 19268 1 526 . 1 1 54 54 ILE HG21 H 1 -0.120 0.020 . 1 . . . A 139 ILE HG21 . 19268 1 527 . 1 1 54 54 ILE HG22 H 1 -0.120 0.020 . 1 . . . A 139 ILE HG22 . 19268 1 528 . 1 1 54 54 ILE HG23 H 1 -0.120 0.020 . 1 . . . A 139 ILE HG23 . 19268 1 529 . 1 1 54 54 ILE HD11 H 1 0.445 0.020 . 1 . . . A 139 ILE HD11 . 19268 1 530 . 1 1 54 54 ILE HD12 H 1 0.445 0.020 . 1 . . . A 139 ILE HD12 . 19268 1 531 . 1 1 54 54 ILE HD13 H 1 0.445 0.020 . 1 . . . A 139 ILE HD13 . 19268 1 532 . 1 1 54 54 ILE CA C 13 58.520 0.300 . 1 . . . A 139 ILE CA . 19268 1 533 . 1 1 54 54 ILE CB C 13 38.829 0.300 . 1 . . . A 139 ILE CB . 19268 1 534 . 1 1 54 54 ILE CG1 C 13 26.518 0.300 . 1 . . . A 139 ILE CG1 . 19268 1 535 . 1 1 54 54 ILE CG2 C 13 17.200 0.300 . 1 . . . A 139 ILE CG2 . 19268 1 536 . 1 1 54 54 ILE CD1 C 13 11.800 0.300 . 1 . . . A 139 ILE CD1 . 19268 1 537 . 1 1 54 54 ILE N N 15 126.938 0.300 . 1 . . . A 139 ILE N . 19268 1 538 . 1 1 55 55 HIS H H 1 8.180 0.020 . 1 . . . A 140 HIS H . 19268 1 539 . 1 1 55 55 HIS HA H 1 4.935 0.020 . 1 . . . A 140 HIS HA . 19268 1 540 . 1 1 55 55 HIS HB2 H 1 3.278 0.020 . 2 . . . A 140 HIS HB2 . 19268 1 541 . 1 1 55 55 HIS HB3 H 1 2.905 0.020 . 2 . . . A 140 HIS HB3 . 19268 1 542 . 1 1 55 55 HIS HD2 H 1 7.234 0.020 . 1 . . . A 140 HIS HD2 . 19268 1 543 . 1 1 55 55 HIS CA C 13 54.082 0.300 . 1 . . . A 140 HIS CA . 19268 1 544 . 1 1 55 55 HIS CB C 13 29.585 0.300 . 1 . . . A 140 HIS CB . 19268 1 545 . 1 1 55 55 HIS CD2 C 13 119.609 0.300 . 1 . . . A 140 HIS CD2 . 19268 1 546 . 1 1 55 55 HIS N N 15 121.930 0.300 . 1 . . . A 140 HIS N . 19268 1 547 . 1 1 56 56 PHE H H 1 10.365 0.020 . 1 . . . A 141 PHE H . 19268 1 548 . 1 1 56 56 PHE HA H 1 4.302 0.020 . 1 . . . A 141 PHE HA . 19268 1 549 . 1 1 56 56 PHE HB2 H 1 3.294 0.020 . 2 . . . A 141 PHE HB2 . 19268 1 550 . 1 1 56 56 PHE HB3 H 1 2.781 0.020 . 2 . . . A 141 PHE HB3 . 19268 1 551 . 1 1 56 56 PHE HD1 H 1 7.281 0.020 . 1 . . . A 141 PHE HD1 . 19268 1 552 . 1 1 56 56 PHE HD2 H 1 7.281 0.020 . 1 . . . A 141 PHE HD2 . 19268 1 553 . 1 1 56 56 PHE HE1 H 1 6.865 0.020 . 1 . . . A 141 PHE HE1 . 19268 1 554 . 1 1 56 56 PHE HE2 H 1 6.865 0.020 . 1 . . . A 141 PHE HE2 . 19268 1 555 . 1 1 56 56 PHE HZ H 1 6.802 0.020 . 1 . . . A 141 PHE HZ . 19268 1 556 . 1 1 56 56 PHE CA C 13 59.367 0.300 . 1 . . . A 141 PHE CA . 19268 1 557 . 1 1 56 56 PHE CB C 13 41.594 0.300 . 1 . . . A 141 PHE CB . 19268 1 558 . 1 1 56 56 PHE N N 15 124.229 0.300 . 1 . . . A 141 PHE N . 19268 1 559 . 1 1 57 57 GLY H H 1 8.965 0.020 . 1 . . . A 142 GLY H . 19268 1 560 . 1 1 57 57 GLY HA2 H 1 4.168 0.020 . 2 . . . A 142 GLY HA2 . 19268 1 561 . 1 1 57 57 GLY HA3 H 1 3.794 0.020 . 2 . . . A 142 GLY HA3 . 19268 1 562 . 1 1 57 57 GLY CA C 13 45.714 0.300 . 1 . . . A 142 GLY CA . 19268 1 563 . 1 1 57 57 GLY N N 15 108.824 0.300 . 1 . . . A 142 GLY N . 19268 1 564 . 1 1 58 58 SER H H 1 7.257 0.020 . 1 . . . A 143 SER H . 19268 1 565 . 1 1 58 58 SER HA H 1 4.770 0.020 . 1 . . . A 143 SER HA . 19268 1 566 . 1 1 58 58 SER HB2 H 1 4.087 0.020 . 2 . . . A 143 SER HB2 . 19268 1 567 . 1 1 58 58 SER HB3 H 1 3.876 0.020 . 2 . . . A 143 SER HB3 . 19268 1 568 . 1 1 58 58 SER CA C 13 56.657 0.300 . 1 . . . A 143 SER CA . 19268 1 569 . 1 1 58 58 SER CB C 13 66.165 0.300 . 1 . . . A 143 SER CB . 19268 1 570 . 1 1 58 58 SER N N 15 111.850 0.300 . 1 . . . A 143 SER N . 19268 1 571 . 1 1 59 59 ASP H H 1 9.003 0.020 . 1 . . . A 144 ASP H . 19268 1 572 . 1 1 59 59 ASP HA H 1 4.470 0.020 . 1 . . . A 144 ASP HA . 19268 1 573 . 1 1 59 59 ASP HB2 H 1 2.732 0.020 . 1 . . . A 144 ASP HB2 . 19268 1 574 . 1 1 59 59 ASP HB3 H 1 2.732 0.020 . 1 . . . A 144 ASP HB3 . 19268 1 575 . 1 1 59 59 ASP CA C 13 57.549 0.300 . 1 . . . A 144 ASP CA . 19268 1 576 . 1 1 59 59 ASP CB C 13 40.505 0.300 . 1 . . . A 144 ASP CB . 19268 1 577 . 1 1 59 59 ASP N N 15 124.733 0.300 . 1 . . . A 144 ASP N . 19268 1 578 . 1 1 60 60 TYR H H 1 8.534 0.020 . 1 . . . A 145 TYR H . 19268 1 579 . 1 1 60 60 TYR HA H 1 4.168 0.020 . 1 . . . A 145 TYR HA . 19268 1 580 . 1 1 60 60 TYR HB2 H 1 3.225 0.020 . 2 . . . A 145 TYR HB2 . 19268 1 581 . 1 1 60 60 TYR HB3 H 1 2.831 0.020 . 2 . . . A 145 TYR HB3 . 19268 1 582 . 1 1 60 60 TYR HD1 H 1 7.027 0.020 . 1 . . . A 145 TYR HD1 . 19268 1 583 . 1 1 60 60 TYR HD2 H 1 7.027 0.020 . 1 . . . A 145 TYR HD2 . 19268 1 584 . 1 1 60 60 TYR HE1 H 1 6.738 0.020 . 1 . . . A 145 TYR HE1 . 19268 1 585 . 1 1 60 60 TYR HE2 H 1 6.738 0.020 . 1 . . . A 145 TYR HE2 . 19268 1 586 . 1 1 60 60 TYR CA C 13 61.468 0.300 . 1 . . . A 145 TYR CA . 19268 1 587 . 1 1 60 60 TYR CB C 13 37.912 0.300 . 1 . . . A 145 TYR CB . 19268 1 588 . 1 1 60 60 TYR CD1 C 13 132.921 0.300 . 1 . . . A 145 TYR CD1 . 19268 1 589 . 1 1 60 60 TYR CE1 C 13 117.570 0.300 . 1 . . . A 145 TYR CE1 . 19268 1 590 . 1 1 60 60 TYR N N 15 118.819 0.300 . 1 . . . A 145 TYR N . 19268 1 591 . 1 1 61 61 GLU H H 1 7.675 0.020 . 1 . . . A 146 GLU H . 19268 1 592 . 1 1 61 61 GLU HA H 1 3.565 0.020 . 1 . . . A 146 GLU HA . 19268 1 593 . 1 1 61 61 GLU HB2 H 1 1.888 0.020 . 1 . . . A 146 GLU HB2 . 19268 1 594 . 1 1 61 61 GLU HB3 H 1 1.493 0.020 . 1 . . . A 146 GLU HB3 . 19268 1 595 . 1 1 61 61 GLU HG2 H 1 2.219 0.020 . 2 . . . A 146 GLU HG2 . 19268 1 596 . 1 1 61 61 GLU HG3 H 1 1.874 0.020 . 2 . . . A 146 GLU HG3 . 19268 1 597 . 1 1 61 61 GLU CA C 13 59.808 0.300 . 1 . . . A 146 GLU CA . 19268 1 598 . 1 1 61 61 GLU CB C 13 30.059 0.300 . 1 . . . A 146 GLU CB . 19268 1 599 . 1 1 61 61 GLU CG C 13 37.723 0.300 . 1 . . . A 146 GLU CG . 19268 1 600 . 1 1 61 61 GLU N N 15 119.247 0.300 . 1 . . . A 146 GLU N . 19268 1 601 . 1 1 62 62 ASP H H 1 8.200 0.020 . 1 . . . A 147 ASP H . 19268 1 602 . 1 1 62 62 ASP HA H 1 4.646 0.020 . 1 . . . A 147 ASP HA . 19268 1 603 . 1 1 62 62 ASP HB2 H 1 3.011 0.020 . 2 . . . A 147 ASP HB2 . 19268 1 604 . 1 1 62 62 ASP HB3 H 1 2.852 0.020 . 2 . . . A 147 ASP HB3 . 19268 1 605 . 1 1 62 62 ASP CA C 13 58.503 0.300 . 1 . . . A 147 ASP CA . 19268 1 606 . 1 1 62 62 ASP CB C 13 40.171 0.300 . 1 . . . A 147 ASP CB . 19268 1 607 . 1 1 62 62 ASP N N 15 119.643 0.300 . 1 . . . A 147 ASP N . 19268 1 608 . 1 1 63 63 ARG H H 1 8.178 0.020 . 1 . . . A 148 ARG H . 19268 1 609 . 1 1 63 63 ARG HA H 1 4.000 0.020 . 1 . . . A 148 ARG HA . 19268 1 610 . 1 1 63 63 ARG HB2 H 1 1.880 0.020 . 1 . . . A 148 ARG HB2 . 19268 1 611 . 1 1 63 63 ARG HB3 H 1 1.880 0.020 . 1 . . . A 148 ARG HB3 . 19268 1 612 . 1 1 63 63 ARG HG2 H 1 1.730 0.020 . 2 . . . A 148 ARG HG2 . 19268 1 613 . 1 1 63 63 ARG HG3 H 1 1.508 0.020 . 2 . . . A 148 ARG HG3 . 19268 1 614 . 1 1 63 63 ARG HD2 H 1 3.194 0.020 . 1 . . . A 148 ARG HD2 . 19268 1 615 . 1 1 63 63 ARG HD3 H 1 3.194 0.020 . 1 . . . A 148 ARG HD3 . 19268 1 616 . 1 1 63 63 ARG HE H 1 7.441 0.020 . 1 . . . A 148 ARG HE . 19268 1 617 . 1 1 63 63 ARG CA C 13 59.636 0.300 . 1 . . . A 148 ARG CA . 19268 1 618 . 1 1 63 63 ARG CB C 13 30.059 0.300 . 1 . . . A 148 ARG CB . 19268 1 619 . 1 1 63 63 ARG CG C 13 27.847 0.300 . 1 . . . A 148 ARG CG . 19268 1 620 . 1 1 63 63 ARG CD C 13 43.437 0.300 . 1 . . . A 148 ARG CD . 19268 1 621 . 1 1 63 63 ARG N N 15 120.244 0.300 . 1 . . . A 148 ARG N . 19268 1 622 . 1 1 63 63 ARG NE N 15 85.380 0.300 . 1 . . . A 148 ARG NE . 19268 1 623 . 1 1 64 64 TYR H H 1 8.283 0.020 . 1 . . . A 149 TYR H . 19268 1 624 . 1 1 64 64 TYR HA H 1 3.803 0.020 . 1 . . . A 149 TYR HA . 19268 1 625 . 1 1 64 64 TYR HB2 H 1 2.591 0.020 . 1 . . . A 149 TYR HB2 . 19268 1 626 . 1 1 64 64 TYR HB3 H 1 2.868 0.020 . 1 . . . A 149 TYR HB3 . 19268 1 627 . 1 1 64 64 TYR HD1 H 1 6.924 0.020 . 1 . . . A 149 TYR HD1 . 19268 1 628 . 1 1 64 64 TYR HD2 H 1 6.924 0.020 . 1 . . . A 149 TYR HD2 . 19268 1 629 . 1 1 64 64 TYR HE1 H 1 6.812 0.020 . 1 . . . A 149 TYR HE1 . 19268 1 630 . 1 1 64 64 TYR HE2 H 1 6.812 0.020 . 1 . . . A 149 TYR HE2 . 19268 1 631 . 1 1 64 64 TYR CA C 13 62.247 0.300 . 1 . . . A 149 TYR CA . 19268 1 632 . 1 1 64 64 TYR CB C 13 38.118 0.300 . 1 . . . A 149 TYR CB . 19268 1 633 . 1 1 64 64 TYR CD1 C 13 133.074 0.300 . 1 . . . A 149 TYR CD1 . 19268 1 634 . 1 1 64 64 TYR CE1 C 13 117.703 0.300 . 1 . . . A 149 TYR CE1 . 19268 1 635 . 1 1 64 64 TYR N N 15 121.408 0.300 . 1 . . . A 149 TYR N . 19268 1 636 . 1 1 65 65 TYR H H 1 8.948 0.020 . 1 . . . A 150 TYR H . 19268 1 637 . 1 1 65 65 TYR HA H 1 4.068 0.020 . 1 . . . A 150 TYR HA . 19268 1 638 . 1 1 65 65 TYR HB2 H 1 3.622 0.020 . 2 . . . A 150 TYR HB2 . 19268 1 639 . 1 1 65 65 TYR HB3 H 1 3.229 0.020 . 2 . . . A 150 TYR HB3 . 19268 1 640 . 1 1 65 65 TYR HD1 H 1 7.506 0.020 . 1 . . . A 150 TYR HD1 . 19268 1 641 . 1 1 65 65 TYR HD2 H 1 7.506 0.020 . 1 . . . A 150 TYR HD2 . 19268 1 642 . 1 1 65 65 TYR HE1 H 1 7.073 0.020 . 1 . . . A 150 TYR HE1 . 19268 1 643 . 1 1 65 65 TYR HE2 H 1 7.073 0.020 . 1 . . . A 150 TYR HE2 . 19268 1 644 . 1 1 65 65 TYR CA C 13 63.117 0.300 . 1 . . . A 150 TYR CA . 19268 1 645 . 1 1 65 65 TYR CB C 13 38.257 0.300 . 1 . . . A 150 TYR CB . 19268 1 646 . 1 1 65 65 TYR CD1 C 13 133.088 0.300 . 1 . . . A 150 TYR CD1 . 19268 1 647 . 1 1 65 65 TYR CE1 C 13 117.602 0.300 . 1 . . . A 150 TYR CE1 . 19268 1 648 . 1 1 65 65 TYR N N 15 120.797 0.300 . 1 . . . A 150 TYR N . 19268 1 649 . 1 1 66 66 ARG H H 1 7.976 0.020 . 1 . . . A 151 ARG H . 19268 1 650 . 1 1 66 66 ARG HA H 1 3.909 0.020 . 1 . . . A 151 ARG HA . 19268 1 651 . 1 1 66 66 ARG HB2 H 1 2.059 0.020 . 2 . . . A 151 ARG HB2 . 19268 1 652 . 1 1 66 66 ARG HB3 H 1 1.943 0.020 . 2 . . . A 151 ARG HB3 . 19268 1 653 . 1 1 66 66 ARG HG2 H 1 2.027 0.020 . 2 . . . A 151 ARG HG2 . 19268 1 654 . 1 1 66 66 ARG HG3 H 1 1.738 0.020 . 2 . . . A 151 ARG HG3 . 19268 1 655 . 1 1 66 66 ARG HD2 H 1 3.371 0.020 . 2 . . . A 151 ARG HD2 . 19268 1 656 . 1 1 66 66 ARG HD3 H 1 3.275 0.020 . 2 . . . A 151 ARG HD3 . 19268 1 657 . 1 1 66 66 ARG HE H 1 7.481 0.020 . 1 . . . A 151 ARG HE . 19268 1 658 . 1 1 66 66 ARG CA C 13 60.050 0.300 . 1 . . . A 151 ARG CA . 19268 1 659 . 1 1 66 66 ARG CB C 13 29.901 0.300 . 1 . . . A 151 ARG CB . 19268 1 660 . 1 1 66 66 ARG CG C 13 27.899 0.300 . 1 . . . A 151 ARG CG . 19268 1 661 . 1 1 66 66 ARG CD C 13 43.411 0.300 . 1 . . . A 151 ARG CD . 19268 1 662 . 1 1 66 66 ARG N N 15 118.057 0.300 . 1 . . . A 151 ARG N . 19268 1 663 . 1 1 66 66 ARG NE N 15 84.250 0.300 . 1 . . . A 151 ARG NE . 19268 1 664 . 1 1 67 67 GLU H H 1 8.162 0.020 . 1 . . . A 152 GLU H . 19268 1 665 . 1 1 67 67 GLU HA H 1 4.049 0.020 . 1 . . . A 152 GLU HA . 19268 1 666 . 1 1 67 67 GLU HB2 H 1 1.872 0.020 . 1 . . . A 152 GLU HB2 . 19268 1 667 . 1 1 67 67 GLU HB3 H 1 1.872 0.020 . 1 . . . A 152 GLU HB3 . 19268 1 668 . 1 1 67 67 GLU HG2 H 1 2.404 0.020 . 2 . . . A 152 GLU HG2 . 19268 1 669 . 1 1 67 67 GLU HG3 H 1 2.198 0.020 . 2 . . . A 152 GLU HG3 . 19268 1 670 . 1 1 67 67 GLU CA C 13 58.125 0.300 . 1 . . . A 152 GLU CA . 19268 1 671 . 1 1 67 67 GLU CB C 13 29.743 0.300 . 1 . . . A 152 GLU CB . 19268 1 672 . 1 1 67 67 GLU CG C 13 36.300 0.300 . 1 . . . A 152 GLU CG . 19268 1 673 . 1 1 67 67 GLU N N 15 116.916 0.300 . 1 . . . A 152 GLU N . 19268 1 674 . 1 1 68 68 ASN H H 1 7.602 0.020 . 1 . . . A 153 ASN H . 19268 1 675 . 1 1 68 68 ASN HA H 1 4.231 0.020 . 1 . . . A 153 ASN HA . 19268 1 676 . 1 1 68 68 ASN HB2 H 1 2.102 0.020 . 1 . . . A 153 ASN HB2 . 19268 1 677 . 1 1 68 68 ASN HB3 H 1 2.102 0.020 . 1 . . . A 153 ASN HB3 . 19268 1 678 . 1 1 68 68 ASN HD21 H 1 6.778 0.020 . 2 . . . A 153 ASN HD21 . 19268 1 679 . 1 1 68 68 ASN HD22 H 1 6.522 0.020 . 2 . . . A 153 ASN HD22 . 19268 1 680 . 1 1 68 68 ASN CA C 13 54.800 0.300 . 1 . . . A 153 ASN CA . 19268 1 681 . 1 1 68 68 ASN CB C 13 41.041 0.300 . 1 . . . A 153 ASN CB . 19268 1 682 . 1 1 68 68 ASN N N 15 114.867 0.300 . 1 . . . A 153 ASN N . 19268 1 683 . 1 1 68 68 ASN ND2 N 15 116.916 0.300 . 1 . . . A 153 ASN ND2 . 19268 1 684 . 1 1 69 69 MET H H 1 8.105 0.020 . 1 . . . A 154 MET H . 19268 1 685 . 1 1 69 69 MET HA H 1 3.339 0.020 . 1 . . . A 154 MET HA . 19268 1 686 . 1 1 69 69 MET HB2 H 1 1.622 0.020 . 2 . . . A 154 MET HB2 . 19268 1 687 . 1 1 69 69 MET HB3 H 1 1.263 0.020 . 2 . . . A 154 MET HB3 . 19268 1 688 . 1 1 69 69 MET HG2 H 1 2.486 0.020 . 2 . . . A 154 MET HG2 . 19268 1 689 . 1 1 69 69 MET HG3 H 1 2.099 0.020 . 2 . . . A 154 MET HG3 . 19268 1 690 . 1 1 69 69 MET HE1 H 1 1.945 0.020 . 1 . . . A 154 MET HE1 . 19268 1 691 . 1 1 69 69 MET HE2 H 1 1.945 0.020 . 1 . . . A 154 MET HE2 . 19268 1 692 . 1 1 69 69 MET HE3 H 1 1.945 0.020 . 1 . . . A 154 MET HE3 . 19268 1 693 . 1 1 69 69 MET CA C 13 59.333 0.300 . 1 . . . A 154 MET CA . 19268 1 694 . 1 1 69 69 MET CB C 13 30.533 0.300 . 1 . . . A 154 MET CB . 19268 1 695 . 1 1 69 69 MET CG C 13 30.661 0.300 . 1 . . . A 154 MET CG . 19268 1 696 . 1 1 69 69 MET CE C 13 17.850 0.300 . 1 . . . A 154 MET CE . 19268 1 697 . 1 1 69 69 MET N N 15 119.633 0.300 . 1 . . . A 154 MET N . 19268 1 698 . 1 1 70 70 HIS H H 1 8.026 0.020 . 1 . . . A 155 HIS H . 19268 1 699 . 1 1 70 70 HIS HA H 1 4.088 0.020 . 1 . . . A 155 HIS HA . 19268 1 700 . 1 1 70 70 HIS HB2 H 1 3.271 0.020 . 2 . . . A 155 HIS HB2 . 19268 1 701 . 1 1 70 70 HIS HB3 H 1 3.014 0.020 . 2 . . . A 155 HIS HB3 . 19268 1 702 . 1 1 70 70 HIS HD2 H 1 7.292 0.020 . 1 . . . A 155 HIS HD2 . 19268 1 703 . 1 1 70 70 HIS CA C 13 57.809 0.300 . 1 . . . A 155 HIS CA . 19268 1 704 . 1 1 70 70 HIS CB C 13 27.373 0.300 . 1 . . . A 155 HIS CB . 19268 1 705 . 1 1 70 70 HIS CD2 C 13 120.127 0.300 . 1 . . . A 155 HIS CD2 . 19268 1 706 . 1 1 70 70 HIS N N 15 115.385 0.300 . 1 . . . A 155 HIS N . 19268 1 707 . 1 1 71 71 ARG H H 1 7.540 0.020 . 1 . . . A 156 ARG H . 19268 1 708 . 1 1 71 71 ARG HA H 1 4.094 0.020 . 1 . . . A 156 ARG HA . 19268 1 709 . 1 1 71 71 ARG HB2 H 1 2.113 0.020 . 2 . . . A 156 ARG HB2 . 19268 1 710 . 1 1 71 71 ARG HB3 H 1 1.467 0.020 . 2 . . . A 156 ARG HB3 . 19268 1 711 . 1 1 71 71 ARG HG2 H 1 1.387 0.020 . 2 . . . A 156 ARG HG2 . 19268 1 712 . 1 1 71 71 ARG HG3 H 1 0.263 0.020 . 2 . . . A 156 ARG HG3 . 19268 1 713 . 1 1 71 71 ARG HD2 H 1 3.262 0.020 . 2 . . . A 156 ARG HD2 . 19268 1 714 . 1 1 71 71 ARG HD3 H 1 3.085 0.020 . 2 . . . A 156 ARG HD3 . 19268 1 715 . 1 1 71 71 ARG HE H 1 7.400 0.020 . 1 . . . A 156 ARG HE . 19268 1 716 . 1 1 71 71 ARG CA C 13 56.183 0.300 . 1 . . . A 156 ARG CA . 19268 1 717 . 1 1 71 71 ARG CB C 13 30.770 0.300 . 1 . . . A 156 ARG CB . 19268 1 718 . 1 1 71 71 ARG CG C 13 27.136 0.300 . 1 . . . A 156 ARG CG . 19268 1 719 . 1 1 71 71 ARG CD C 13 44.122 0.300 . 1 . . . A 156 ARG CD . 19268 1 720 . 1 1 71 71 ARG N N 15 118.115 0.300 . 1 . . . A 156 ARG N . 19268 1 721 . 1 1 71 71 ARG NE N 15 84.260 0.300 . 1 . . . A 156 ARG NE . 19268 1 722 . 1 1 72 72 TYR H H 1 7.513 0.020 . 1 . . . A 157 TYR H . 19268 1 723 . 1 1 72 72 TYR HA H 1 4.922 0.020 . 1 . . . A 157 TYR HA . 19268 1 724 . 1 1 72 72 TYR HB2 H 1 3.209 0.020 . 2 . . . A 157 TYR HB2 . 19268 1 725 . 1 1 72 72 TYR HB3 H 1 3.120 0.020 . 2 . . . A 157 TYR HB3 . 19268 1 726 . 1 1 72 72 TYR HD1 H 1 6.893 0.020 . 1 . . . A 157 TYR HD1 . 19268 1 727 . 1 1 72 72 TYR HD2 H 1 6.893 0.020 . 1 . . . A 157 TYR HD2 . 19268 1 728 . 1 1 72 72 TYR HE1 H 1 6.493 0.020 . 1 . . . A 157 TYR HE1 . 19268 1 729 . 1 1 72 72 TYR HE2 H 1 6.493 0.020 . 1 . . . A 157 TYR HE2 . 19268 1 730 . 1 1 72 72 TYR CA C 13 52.388 0.300 . 1 . . . A 157 TYR CA . 19268 1 731 . 1 1 72 72 TYR CB C 13 35.150 0.300 . 1 . . . A 157 TYR CB . 19268 1 732 . 1 1 72 72 TYR CD1 C 13 131.050 0.300 . 1 . . . A 157 TYR CD1 . 19268 1 733 . 1 1 72 72 TYR CE1 C 13 116.153 0.300 . 1 . . . A 157 TYR CE1 . 19268 1 734 . 1 1 72 72 TYR N N 15 121.930 0.300 . 1 . . . A 157 TYR N . 19268 1 735 . 1 1 73 73 PRO HA H 1 4.315 0.020 . 1 . . . A 158 PRO HA . 19268 1 736 . 1 1 73 73 PRO HB2 H 1 1.678 0.020 . 1 . . . A 158 PRO HB2 . 19268 1 737 . 1 1 73 73 PRO HB3 H 1 2.343 0.020 . 1 . . . A 158 PRO HB3 . 19268 1 738 . 1 1 73 73 PRO HG2 H 1 1.502 0.020 . 2 . . . A 158 PRO HG2 . 19268 1 739 . 1 1 73 73 PRO HG3 H 1 1.266 0.020 . 2 . . . A 158 PRO HG3 . 19268 1 740 . 1 1 73 73 PRO HD2 H 1 3.135 0.020 . 1 . . . A 158 PRO HD2 . 19268 1 741 . 1 1 73 73 PRO HD3 H 1 3.135 0.020 . 1 . . . A 158 PRO HD3 . 19268 1 742 . 1 1 73 73 PRO CA C 13 63.737 0.300 . 1 . . . A 158 PRO CA . 19268 1 743 . 1 1 73 73 PRO CB C 13 32.388 0.300 . 1 . . . A 158 PRO CB . 19268 1 744 . 1 1 73 73 PRO CG C 13 27.209 0.300 . 1 . . . A 158 PRO CG . 19268 1 745 . 1 1 73 73 PRO CD C 13 50.000 0.300 . 1 . . . A 158 PRO CD . 19268 1 746 . 1 1 74 74 ASN H H 1 8.330 0.020 . 1 . . . A 159 ASN H . 19268 1 747 . 1 1 74 74 ASN HA H 1 4.655 0.020 . 1 . . . A 159 ASN HA . 19268 1 748 . 1 1 74 74 ASN HB2 H 1 3.702 0.020 . 2 . . . A 159 ASN HB2 . 19268 1 749 . 1 1 74 74 ASN HB3 H 1 2.312 0.020 . 2 . . . A 159 ASN HB3 . 19268 1 750 . 1 1 74 74 ASN HD21 H 1 7.451 0.020 . 2 . . . A 159 ASN HD21 . 19268 1 751 . 1 1 74 74 ASN HD22 H 1 6.725 0.020 . 2 . . . A 159 ASN HD22 . 19268 1 752 . 1 1 74 74 ASN CA C 13 51.711 0.300 . 1 . . . A 159 ASN CA . 19268 1 753 . 1 1 74 74 ASN CB C 13 38.355 0.300 . 1 . . . A 159 ASN CB . 19268 1 754 . 1 1 74 74 ASN N N 15 114.595 0.300 . 1 . . . A 159 ASN N . 19268 1 755 . 1 1 74 74 ASN ND2 N 15 108.807 0.300 . 1 . . . A 159 ASN ND2 . 19268 1 756 . 1 1 75 75 GLN H H 1 7.193 0.020 . 1 . . . A 160 GLN H . 19268 1 757 . 1 1 75 75 GLN HA H 1 4.479 0.020 . 1 . . . A 160 GLN HA . 19268 1 758 . 1 1 75 75 GLN HB2 H 1 2.106 0.020 . 2 . . . A 160 GLN HB2 . 19268 1 759 . 1 1 75 75 GLN HB3 H 1 1.996 0.020 . 2 . . . A 160 GLN HB3 . 19268 1 760 . 1 1 75 75 GLN HE21 H 1 7.879 0.020 . 2 . . . A 160 GLN HE21 . 19268 1 761 . 1 1 75 75 GLN HE22 H 1 6.898 0.020 . 2 . . . A 160 GLN HE22 . 19268 1 762 . 1 1 75 75 GLN CA C 13 54.184 0.300 . 1 . . . A 160 GLN CA . 19268 1 763 . 1 1 75 75 GLN CB C 13 34.167 0.300 . 1 . . . A 160 GLN CB . 19268 1 764 . 1 1 75 75 GLN N N 15 113.853 0.300 . 1 . . . A 160 GLN N . 19268 1 765 . 1 1 75 75 GLN NE2 N 15 112.708 0.300 . 1 . . . A 160 GLN NE2 . 19268 1 766 . 1 1 76 76 VAL H H 1 8.483 0.020 . 1 . . . A 161 VAL H . 19268 1 767 . 1 1 76 76 VAL HA H 1 4.872 0.020 . 1 . . . A 161 VAL HA . 19268 1 768 . 1 1 76 76 VAL HB H 1 2.575 0.020 . 1 . . . A 161 VAL HB . 19268 1 769 . 1 1 76 76 VAL HG11 H 1 0.898 0.020 . 2 . . . A 161 VAL HG11 . 19268 1 770 . 1 1 76 76 VAL HG12 H 1 0.898 0.020 . 2 . . . A 161 VAL HG12 . 19268 1 771 . 1 1 76 76 VAL HG13 H 1 0.898 0.020 . 2 . . . A 161 VAL HG13 . 19268 1 772 . 1 1 76 76 VAL HG21 H 1 0.736 0.020 . 2 . . . A 161 VAL HG21 . 19268 1 773 . 1 1 76 76 VAL HG22 H 1 0.736 0.020 . 2 . . . A 161 VAL HG22 . 19268 1 774 . 1 1 76 76 VAL HG23 H 1 0.736 0.020 . 2 . . . A 161 VAL HG23 . 19268 1 775 . 1 1 76 76 VAL CA C 13 58.974 0.300 . 1 . . . A 161 VAL CA . 19268 1 776 . 1 1 76 76 VAL CB C 13 33.405 0.300 . 1 . . . A 161 VAL CB . 19268 1 777 . 1 1 76 76 VAL CG1 C 13 23.400 0.300 . 1 . . . A 161 VAL CG1 . 19268 1 778 . 1 1 76 76 VAL CG2 C 13 18.500 0.300 . 1 . . . A 161 VAL CG2 . 19268 1 779 . 1 1 76 76 VAL N N 15 113.073 0.300 . 1 . . . A 161 VAL N . 19268 1 780 . 1 1 77 77 TYR H H 1 8.442 0.020 . 1 . . . A 162 TYR H . 19268 1 781 . 1 1 77 77 TYR HA H 1 5.497 0.020 . 1 . . . A 162 TYR HA . 19268 1 782 . 1 1 77 77 TYR HB2 H 1 2.541 0.020 . 1 . . . A 162 TYR HB2 . 19268 1 783 . 1 1 77 77 TYR HB3 H 1 2.541 0.020 . 1 . . . A 162 TYR HB3 . 19268 1 784 . 1 1 77 77 TYR HD1 H 1 6.857 0.020 . 1 . . . A 162 TYR HD1 . 19268 1 785 . 1 1 77 77 TYR HD2 H 1 6.857 0.020 . 1 . . . A 162 TYR HD2 . 19268 1 786 . 1 1 77 77 TYR HE1 H 1 6.713 0.020 . 1 . . . A 162 TYR HE1 . 19268 1 787 . 1 1 77 77 TYR HE2 H 1 6.713 0.020 . 1 . . . A 162 TYR HE2 . 19268 1 788 . 1 1 77 77 TYR CA C 13 57.041 0.300 . 1 . . . A 162 TYR CA . 19268 1 789 . 1 1 77 77 TYR CB C 13 42.147 0.300 . 1 . . . A 162 TYR CB . 19268 1 790 . 1 1 77 77 TYR CD1 C 13 132.534 0.300 . 1 . . . A 162 TYR CD1 . 19268 1 791 . 1 1 77 77 TYR CE1 C 13 118.017 0.300 . 1 . . . A 162 TYR CE1 . 19268 1 792 . 1 1 77 77 TYR N N 15 121.506 0.300 . 1 . . . A 162 TYR N . 19268 1 793 . 1 1 78 78 TYR H H 1 8.533 0.020 . 1 . . . A 163 TYR H . 19268 1 794 . 1 1 78 78 TYR HB2 H 1 2.615 0.020 . 2 . . . A 163 TYR HB2 . 19268 1 795 . 1 1 78 78 TYR HB3 H 1 2.369 0.020 . 2 . . . A 163 TYR HB3 . 19268 1 796 . 1 1 78 78 TYR HD1 H 1 6.985 0.020 . 1 . . . A 163 TYR HD1 . 19268 1 797 . 1 1 78 78 TYR HD2 H 1 6.985 0.020 . 1 . . . A 163 TYR HD2 . 19268 1 798 . 1 1 78 78 TYR HE1 H 1 6.428 0.020 . 1 . . . A 163 TYR HE1 . 19268 1 799 . 1 1 78 78 TYR HE2 H 1 6.428 0.020 . 1 . . . A 163 TYR HE2 . 19268 1 800 . 1 1 78 78 TYR CA C 13 56.213 0.300 . 1 . . . A 163 TYR CA . 19268 1 801 . 1 1 78 78 TYR CB C 13 40.270 0.300 . 1 . . . A 163 TYR CB . 19268 1 802 . 1 1 78 78 TYR CD1 C 13 133.592 0.300 . 1 . . . A 163 TYR CD1 . 19268 1 803 . 1 1 78 78 TYR CE1 C 13 117.363 0.300 . 1 . . . A 163 TYR CE1 . 19268 1 804 . 1 1 78 78 TYR N N 15 111.147 0.300 . 1 . . . A 163 TYR N . 19268 1 805 . 1 1 79 79 ARG H H 1 7.999 0.020 . 1 . . . A 164 ARG H . 19268 1 806 . 1 1 79 79 ARG HA H 1 4.592 0.020 . 1 . . . A 164 ARG HA . 19268 1 807 . 1 1 79 79 ARG HB2 H 1 1.632 0.020 . 1 . . . A 164 ARG HB2 . 19268 1 808 . 1 1 79 79 ARG HB3 H 1 1.632 0.020 . 1 . . . A 164 ARG HB3 . 19268 1 809 . 1 1 79 79 ARG HG2 H 1 1.138 0.020 . 1 . . . A 164 ARG HG2 . 19268 1 810 . 1 1 79 79 ARG HG3 H 1 1.138 0.020 . 1 . . . A 164 ARG HG3 . 19268 1 811 . 1 1 79 79 ARG HD2 H 1 2.844 0.020 . 1 . . . A 164 ARG HD2 . 19268 1 812 . 1 1 79 79 ARG HD3 H 1 2.844 0.020 . 1 . . . A 164 ARG HD3 . 19268 1 813 . 1 1 79 79 ARG HE H 1 6.927 0.020 . 1 . . . A 164 ARG HE . 19268 1 814 . 1 1 79 79 ARG CA C 13 53.140 0.300 . 1 . . . A 164 ARG CA . 19268 1 815 . 1 1 79 79 ARG CB C 13 29.971 0.300 . 1 . . . A 164 ARG CB . 19268 1 816 . 1 1 79 79 ARG CG C 13 27.554 0.300 . 1 . . . A 164 ARG CG . 19268 1 817 . 1 1 79 79 ARG CD C 13 43.437 0.300 . 1 . . . A 164 ARG CD . 19268 1 818 . 1 1 79 79 ARG N N 15 121.055 0.300 . 1 . . . A 164 ARG N . 19268 1 819 . 1 1 79 79 ARG NE N 15 85.070 0.300 . 1 . . . A 164 ARG NE . 19268 1 820 . 1 1 80 80 PRO HA H 1 4.490 0.020 . 1 . . . A 165 PRO HA . 19268 1 821 . 1 1 80 80 PRO HB2 H 1 2.446 0.020 . 2 . . . A 165 PRO HB2 . 19268 1 822 . 1 1 80 80 PRO HB3 H 1 1.916 0.020 . 2 . . . A 165 PRO HB3 . 19268 1 823 . 1 1 80 80 PRO CA C 13 63.264 0.300 . 1 . . . A 165 PRO CA . 19268 1 824 . 1 1 80 80 PRO CB C 13 32.587 0.300 . 1 . . . A 165 PRO CB . 19268 1 825 . 1 1 81 81 MET H H 1 8.846 0.020 . 1 . . . A 166 MET H . 19268 1 826 . 1 1 81 81 MET HE1 H 1 1.568 0.020 . 1 . . . A 166 MET HE1 . 19268 1 827 . 1 1 81 81 MET HE2 H 1 1.568 0.020 . 1 . . . A 166 MET HE2 . 19268 1 828 . 1 1 81 81 MET HE3 H 1 1.568 0.020 . 1 . . . A 166 MET HE3 . 19268 1 829 . 1 1 81 81 MET CE C 13 17.100 0.300 . 1 . . . A 166 MET CE . 19268 1 830 . 1 1 81 81 MET N N 15 120.703 0.300 . 1 . . . A 166 MET N . 19268 1 831 . 1 1 84 84 TYR HD1 H 1 7.157 0.020 . 1 . . . A 169 TYR HD1 . 19268 1 832 . 1 1 84 84 TYR HD2 H 1 7.157 0.020 . 1 . . . A 169 TYR HD2 . 19268 1 833 . 1 1 84 84 TYR HE1 H 1 6.854 0.020 . 1 . . . A 169 TYR HE1 . 19268 1 834 . 1 1 84 84 TYR HE2 H 1 6.854 0.020 . 1 . . . A 169 TYR HE2 . 19268 1 835 . 1 1 84 84 TYR CD1 C 13 133.050 0.300 . 1 . . . A 169 TYR CD1 . 19268 1 836 . 1 1 84 84 TYR CE1 C 13 118.370 0.300 . 1 . . . A 169 TYR CE1 . 19268 1 837 . 1 1 85 85 SER HA H 1 4.557 0.020 . 1 . . . A 170 SER HA . 19268 1 838 . 1 1 85 85 SER HB2 H 1 3.953 0.020 . 1 . . . A 170 SER HB2 . 19268 1 839 . 1 1 85 85 SER HB3 H 1 3.953 0.020 . 1 . . . A 170 SER HB3 . 19268 1 840 . 1 1 85 85 SER CA C 13 59.140 0.300 . 1 . . . A 170 SER CA . 19268 1 841 . 1 1 85 85 SER CB C 13 64.140 0.300 . 1 . . . A 170 SER CB . 19268 1 842 . 1 1 86 86 ASN HA H 1 4.751 0.020 . 1 . . . A 171 ASN HA . 19268 1 843 . 1 1 86 86 ASN HB2 H 1 3.112 0.020 . 2 . . . A 171 ASN HB2 . 19268 1 844 . 1 1 86 86 ASN HB3 H 1 3.018 0.020 . 2 . . . A 171 ASN HB3 . 19268 1 845 . 1 1 86 86 ASN HD21 H 1 7.517 0.020 . 2 . . . A 171 ASN HD21 . 19268 1 846 . 1 1 86 86 ASN HD22 H 1 6.687 0.020 . 2 . . . A 171 ASN HD22 . 19268 1 847 . 1 1 86 86 ASN CA C 13 52.388 0.300 . 1 . . . A 171 ASN CA . 19268 1 848 . 1 1 86 86 ASN CB C 13 39.935 0.300 . 1 . . . A 171 ASN CB . 19268 1 849 . 1 1 86 86 ASN ND2 N 15 113.431 0.300 . 1 . . . A 171 ASN ND2 . 19268 1 850 . 1 1 87 87 GLN H H 1 8.644 0.020 . 1 . . . A 172 GLN H . 19268 1 851 . 1 1 87 87 GLN HE21 H 1 6.884 0.020 . 2 . . . A 172 GLN HE21 . 19268 1 852 . 1 1 87 87 GLN HE22 H 1 6.832 0.020 . 2 . . . A 172 GLN HE22 . 19268 1 853 . 1 1 87 87 GLN CA C 13 59.367 0.300 . 1 . . . A 172 GLN CA . 19268 1 854 . 1 1 87 87 GLN CB C 13 29.065 0.300 . 1 . . . A 172 GLN CB . 19268 1 855 . 1 1 87 87 GLN CG C 13 33.477 0.300 . 1 . . . A 172 GLN CG . 19268 1 856 . 1 1 87 87 GLN N N 15 120.384 0.300 . 1 . . . A 172 GLN N . 19268 1 857 . 1 1 87 87 GLN NE2 N 15 110.841 0.300 . 1 . . . A 172 GLN NE2 . 19268 1 858 . 1 1 88 88 ASN H H 1 8.343 0.020 . 1 . . . A 173 ASN H . 19268 1 859 . 1 1 88 88 ASN HA H 1 4.222 0.020 . 1 . . . A 173 ASN HA . 19268 1 860 . 1 1 88 88 ASN HB2 H 1 2.727 0.020 . 2 . . . A 173 ASN HB2 . 19268 1 861 . 1 1 88 88 ASN HB3 H 1 2.653 0.020 . 2 . . . A 173 ASN HB3 . 19268 1 862 . 1 1 88 88 ASN HD21 H 1 7.548 0.020 . 2 . . . A 173 ASN HD21 . 19268 1 863 . 1 1 88 88 ASN HD22 H 1 6.906 0.020 . 2 . . . A 173 ASN HD22 . 19268 1 864 . 1 1 88 88 ASN CA C 13 56.650 0.300 . 1 . . . A 173 ASN CA . 19268 1 865 . 1 1 88 88 ASN CB C 13 37.912 0.300 . 1 . . . A 173 ASN CB . 19268 1 866 . 1 1 88 88 ASN N N 15 116.790 0.300 . 1 . . . A 173 ASN N . 19268 1 867 . 1 1 88 88 ASN ND2 N 15 112.660 0.300 . 1 . . . A 173 ASN ND2 . 19268 1 868 . 1 1 89 89 ASN H H 1 8.573 0.020 . 1 . . . A 174 ASN H . 19268 1 869 . 1 1 89 89 ASN HD21 H 1 7.637 0.020 . 2 . . . A 174 ASN HD21 . 19268 1 870 . 1 1 89 89 ASN HD22 H 1 7.093 0.020 . 2 . . . A 174 ASN HD22 . 19268 1 871 . 1 1 89 89 ASN CA C 13 56.013 0.300 . 1 . . . A 174 ASN CA . 19268 1 872 . 1 1 89 89 ASN N N 15 118.443 0.300 . 1 . . . A 174 ASN N . 19268 1 873 . 1 1 89 89 ASN ND2 N 15 112.267 0.300 . 1 . . . A 174 ASN ND2 . 19268 1 874 . 1 1 90 90 PHE HD1 H 1 7.246 0.020 . 1 . . . A 175 PHE HD1 . 19268 1 875 . 1 1 90 90 PHE HD2 H 1 7.246 0.020 . 1 . . . A 175 PHE HD2 . 19268 1 876 . 1 1 90 90 PHE HE1 H 1 7.619 0.020 . 1 . . . A 175 PHE HE1 . 19268 1 877 . 1 1 90 90 PHE HE2 H 1 7.619 0.020 . 1 . . . A 175 PHE HE2 . 19268 1 878 . 1 1 90 90 PHE HZ H 1 6.624 0.020 . 1 . . . A 175 PHE HZ . 19268 1 879 . 1 1 90 90 PHE CA C 13 60.988 0.300 . 1 . . . A 175 PHE CA . 19268 1 880 . 1 1 90 90 PHE CB C 13 39.335 0.300 . 1 . . . A 175 PHE CB . 19268 1 881 . 1 1 91 91 VAL H H 1 8.872 0.020 . 1 . . . A 176 VAL H . 19268 1 882 . 1 1 91 91 VAL HA H 1 3.482 0.020 . 1 . . . A 176 VAL HA . 19268 1 883 . 1 1 91 91 VAL HB H 1 2.205 0.020 . 1 . . . A 176 VAL HB . 19268 1 884 . 1 1 91 91 VAL HG11 H 1 1.018 0.020 . 2 . . . A 176 VAL HG11 . 19268 1 885 . 1 1 91 91 VAL HG12 H 1 1.018 0.020 . 2 . . . A 176 VAL HG12 . 19268 1 886 . 1 1 91 91 VAL HG13 H 1 1.018 0.020 . 2 . . . A 176 VAL HG13 . 19268 1 887 . 1 1 91 91 VAL HG21 H 1 1.041 0.020 . 2 . . . A 176 VAL HG21 . 19268 1 888 . 1 1 91 91 VAL HG22 H 1 1.041 0.020 . 2 . . . A 176 VAL HG22 . 19268 1 889 . 1 1 91 91 VAL HG23 H 1 1.041 0.020 . 2 . . . A 176 VAL HG23 . 19268 1 890 . 1 1 91 91 VAL CA C 13 67.760 0.300 . 1 . . . A 176 VAL CA . 19268 1 891 . 1 1 91 91 VAL CB C 13 32.042 0.300 . 1 . . . A 176 VAL CB . 19268 1 892 . 1 1 91 91 VAL CG1 C 13 21.600 0.300 . 1 . . . A 176 VAL CG1 . 19268 1 893 . 1 1 91 91 VAL CG2 C 13 24.400 0.300 . 1 . . . A 176 VAL CG2 . 19268 1 894 . 1 1 91 91 VAL N N 15 120.397 0.300 . 1 . . . A 176 VAL N . 19268 1 895 . 1 1 92 92 HIS H H 1 8.325 0.020 . 1 . . . A 177 HIS H . 19268 1 896 . 1 1 92 92 HIS HA H 1 4.267 0.020 . 1 . . . A 177 HIS HA . 19268 1 897 . 1 1 92 92 HIS HB2 H 1 3.281 0.020 . 2 . . . A 177 HIS HB2 . 19268 1 898 . 1 1 92 92 HIS HB3 H 1 2.829 0.020 . 2 . . . A 177 HIS HB3 . 19268 1 899 . 1 1 92 92 HIS CA C 13 59.401 0.300 . 1 . . . A 177 HIS CA . 19268 1 900 . 1 1 92 92 HIS CB C 13 28.400 0.300 . 1 . . . A 177 HIS CB . 19268 1 901 . 1 1 92 92 HIS N N 15 116.896 0.300 . 1 . . . A 177 HIS N . 19268 1 902 . 1 1 93 93 ASP H H 1 7.690 0.020 . 1 . . . A 178 ASP H . 19268 1 903 . 1 1 93 93 ASP HA H 1 4.507 0.020 . 1 . . . A 178 ASP HA . 19268 1 904 . 1 1 93 93 ASP HB2 H 1 2.936 0.020 . 1 . . . A 178 ASP HB2 . 19268 1 905 . 1 1 93 93 ASP HB3 H 1 2.828 0.020 . 1 . . . A 178 ASP HB3 . 19268 1 906 . 1 1 93 93 ASP CA C 13 57.373 0.300 . 1 . . . A 178 ASP CA . 19268 1 907 . 1 1 93 93 ASP CB C 13 41.219 0.300 . 1 . . . A 178 ASP CB . 19268 1 908 . 1 1 93 93 ASP N N 15 118.617 0.300 . 1 . . . A 178 ASP N . 19268 1 909 . 1 1 94 94 CYS H H 1 8.014 0.020 . 1 . . . A 179 CYS H . 19268 1 910 . 1 1 94 94 CYS HA H 1 4.714 0.020 . 1 . . . A 179 CYS HA . 19268 1 911 . 1 1 94 94 CYS HB2 H 1 3.337 0.020 . 2 . . . A 179 CYS HB2 . 19268 1 912 . 1 1 94 94 CYS HB3 H 1 2.968 0.020 . 2 . . . A 179 CYS HB3 . 19268 1 913 . 1 1 94 94 CYS CA C 13 58.690 0.300 . 1 . . . A 179 CYS CA . 19268 1 914 . 1 1 94 94 CYS CB C 13 40.804 0.300 . 1 . . . A 179 CYS CB . 19268 1 915 . 1 1 94 94 CYS N N 15 119.193 0.300 . 1 . . . A 179 CYS N . 19268 1 916 . 1 1 95 95 VAL H H 1 9.061 0.020 . 1 . . . A 180 VAL H . 19268 1 917 . 1 1 95 95 VAL HA H 1 3.616 0.020 . 1 . . . A 180 VAL HA . 19268 1 918 . 1 1 95 95 VAL HB H 1 2.136 0.020 . 1 . . . A 180 VAL HB . 19268 1 919 . 1 1 95 95 VAL HG11 H 1 0.940 0.020 . 2 . . . A 180 VAL HG11 . 19268 1 920 . 1 1 95 95 VAL HG12 H 1 0.940 0.020 . 2 . . . A 180 VAL HG12 . 19268 1 921 . 1 1 95 95 VAL HG13 H 1 0.940 0.020 . 2 . . . A 180 VAL HG13 . 19268 1 922 . 1 1 95 95 VAL HG21 H 1 1.055 0.020 . 2 . . . A 180 VAL HG21 . 19268 1 923 . 1 1 95 95 VAL HG22 H 1 1.055 0.020 . 2 . . . A 180 VAL HG22 . 19268 1 924 . 1 1 95 95 VAL HG23 H 1 1.055 0.020 . 2 . . . A 180 VAL HG23 . 19268 1 925 . 1 1 95 95 VAL CA C 13 66.078 0.300 . 1 . . . A 180 VAL CA . 19268 1 926 . 1 1 95 95 VAL CB C 13 31.912 0.300 . 1 . . . A 180 VAL CB . 19268 1 927 . 1 1 95 95 VAL CG1 C 13 21.800 0.300 . 1 . . . A 180 VAL CG1 . 19268 1 928 . 1 1 95 95 VAL CG2 C 13 23.449 0.300 . 1 . . . A 180 VAL CG2 . 19268 1 929 . 1 1 95 95 VAL N N 15 124.999 0.300 . 1 . . . A 180 VAL N . 19268 1 930 . 1 1 96 96 ASN H H 1 7.596 0.020 . 1 . . . A 181 ASN H . 19268 1 931 . 1 1 96 96 ASN HA H 1 4.280 0.020 . 1 . . . A 181 ASN HA . 19268 1 932 . 1 1 96 96 ASN HB2 H 1 2.837 0.020 . 2 . . . A 181 ASN HB2 . 19268 1 933 . 1 1 96 96 ASN HB3 H 1 2.762 0.020 . 2 . . . A 181 ASN HB3 . 19268 1 934 . 1 1 96 96 ASN HD21 H 1 7.609 0.020 . 2 . . . A 181 ASN HD21 . 19268 1 935 . 1 1 96 96 ASN HD22 H 1 6.735 0.020 . 2 . . . A 181 ASN HD22 . 19268 1 936 . 1 1 96 96 ASN CA C 13 56.556 0.300 . 1 . . . A 181 ASN CA . 19268 1 937 . 1 1 96 96 ASN CB C 13 38.908 0.300 . 1 . . . A 181 ASN CB . 19268 1 938 . 1 1 96 96 ASN N N 15 116.182 0.300 . 1 . . . A 181 ASN N . 19268 1 939 . 1 1 96 96 ASN ND2 N 15 111.902 0.300 . 1 . . . A 181 ASN ND2 . 19268 1 940 . 1 1 97 97 ILE H H 1 8.678 0.020 . 1 . . . A 182 ILE H . 19268 1 941 . 1 1 97 97 ILE HA H 1 3.714 0.020 . 1 . . . A 182 ILE HA . 19268 1 942 . 1 1 97 97 ILE HB H 1 1.544 0.020 . 1 . . . A 182 ILE HB . 19268 1 943 . 1 1 97 97 ILE HG12 H 1 0.838 0.020 . 1 . . . A 182 ILE HG12 . 19268 1 944 . 1 1 97 97 ILE HG13 H 1 0.838 0.020 . 1 . . . A 182 ILE HG13 . 19268 1 945 . 1 1 97 97 ILE HG21 H 1 0.239 0.020 . 1 . . . A 182 ILE HG21 . 19268 1 946 . 1 1 97 97 ILE HG22 H 1 0.239 0.020 . 1 . . . A 182 ILE HG22 . 19268 1 947 . 1 1 97 97 ILE HG23 H 1 0.239 0.020 . 1 . . . A 182 ILE HG23 . 19268 1 948 . 1 1 97 97 ILE HD11 H 1 0.385 0.020 . 1 . . . A 182 ILE HD11 . 19268 1 949 . 1 1 97 97 ILE HD12 H 1 0.385 0.020 . 1 . . . A 182 ILE HD12 . 19268 1 950 . 1 1 97 97 ILE HD13 H 1 0.385 0.020 . 1 . . . A 182 ILE HD13 . 19268 1 951 . 1 1 97 97 ILE CA C 13 62.304 0.300 . 1 . . . A 182 ILE CA . 19268 1 952 . 1 1 97 97 ILE CB C 13 36.703 0.300 . 1 . . . A 182 ILE CB . 19268 1 953 . 1 1 97 97 ILE CG1 C 13 27.635 0.300 . 1 . . . A 182 ILE CG1 . 19268 1 954 . 1 1 97 97 ILE CG2 C 13 18.489 0.300 . 1 . . . A 182 ILE CG2 . 19268 1 955 . 1 1 97 97 ILE CD1 C 13 11.600 0.300 . 1 . . . A 182 ILE CD1 . 19268 1 956 . 1 1 97 97 ILE N N 15 118.815 0.300 . 1 . . . A 182 ILE N . 19268 1 957 . 1 1 98 98 THR H H 1 8.106 0.020 . 1 . . . A 183 THR H . 19268 1 958 . 1 1 98 98 THR HA H 1 4.023 0.020 . 1 . . . A 183 THR HA . 19268 1 959 . 1 1 98 98 THR HB H 1 4.467 0.020 . 1 . . . A 183 THR HB . 19268 1 960 . 1 1 98 98 THR HG21 H 1 1.428 0.020 . 1 . . . A 183 THR HG21 . 19268 1 961 . 1 1 98 98 THR HG22 H 1 1.428 0.020 . 1 . . . A 183 THR HG22 . 19268 1 962 . 1 1 98 98 THR HG23 H 1 1.428 0.020 . 1 . . . A 183 THR HG23 . 19268 1 963 . 1 1 98 98 THR CA C 13 68.647 0.300 . 1 . . . A 183 THR CA . 19268 1 964 . 1 1 98 98 THR CB C 13 68.680 0.300 . 1 . . . A 183 THR CB . 19268 1 965 . 1 1 98 98 THR CG2 C 13 22.195 0.300 . 1 . . . A 183 THR CG2 . 19268 1 966 . 1 1 98 98 THR N N 15 118.111 0.300 . 1 . . . A 183 THR N . 19268 1 967 . 1 1 99 99 ILE H H 1 8.430 0.020 . 1 . . . A 184 ILE H . 19268 1 968 . 1 1 99 99 ILE HA H 1 3.664 0.020 . 1 . . . A 184 ILE HA . 19268 1 969 . 1 1 99 99 ILE HB H 1 2.054 0.020 . 1 . . . A 184 ILE HB . 19268 1 970 . 1 1 99 99 ILE HG12 H 1 1.744 0.020 . 2 . . . A 184 ILE HG12 . 19268 1 971 . 1 1 99 99 ILE HG13 H 1 1.205 0.020 . 2 . . . A 184 ILE HG13 . 19268 1 972 . 1 1 99 99 ILE HG21 H 1 0.838 0.020 . 1 . . . A 184 ILE HG21 . 19268 1 973 . 1 1 99 99 ILE HG22 H 1 0.838 0.020 . 1 . . . A 184 ILE HG22 . 19268 1 974 . 1 1 99 99 ILE HG23 H 1 0.838 0.020 . 1 . . . A 184 ILE HG23 . 19268 1 975 . 1 1 99 99 ILE HD11 H 1 0.715 0.020 . 1 . . . A 184 ILE HD11 . 19268 1 976 . 1 1 99 99 ILE HD12 H 1 0.715 0.020 . 1 . . . A 184 ILE HD12 . 19268 1 977 . 1 1 99 99 ILE HD13 H 1 0.715 0.020 . 1 . . . A 184 ILE HD13 . 19268 1 978 . 1 1 99 99 ILE CA C 13 65.418 0.300 . 1 . . . A 184 ILE CA . 19268 1 979 . 1 1 99 99 ILE CB C 13 36.531 0.300 . 1 . . . A 184 ILE CB . 19268 1 980 . 1 1 99 99 ILE CG1 C 13 29.626 0.300 . 1 . . . A 184 ILE CG1 . 19268 1 981 . 1 1 99 99 ILE CG2 C 13 16.600 0.300 . 1 . . . A 184 ILE CG2 . 19268 1 982 . 1 1 99 99 ILE CD1 C 13 12.700 0.300 . 1 . . . A 184 ILE CD1 . 19268 1 983 . 1 1 99 99 ILE N N 15 120.492 0.300 . 1 . . . A 184 ILE N . 19268 1 984 . 1 1 100 100 LYS H H 1 8.008 0.020 . 1 . . . A 185 LYS H . 19268 1 985 . 1 1 100 100 LYS CA C 13 60.147 0.300 . 1 . . . A 185 LYS CA . 19268 1 986 . 1 1 100 100 LYS CB C 13 32.429 0.300 . 1 . . . A 185 LYS CB . 19268 1 987 . 1 1 100 100 LYS CG C 13 25.002 0.300 . 1 . . . A 185 LYS CG . 19268 1 988 . 1 1 100 100 LYS CD C 13 29.190 0.300 . 1 . . . A 185 LYS CD . 19268 1 989 . 1 1 100 100 LYS CE C 13 42.226 0.300 . 1 . . . A 185 LYS CE . 19268 1 990 . 1 1 100 100 LYS N N 15 123.000 0.300 . 1 . . . A 185 LYS N . 19268 1 991 . 1 1 101 101 GLN H H 1 8.353 0.020 . 1 . . . A 186 GLN H . 19268 1 992 . 1 1 101 101 GLN HA H 1 3.995 0.020 . 1 . . . A 186 GLN HA . 19268 1 993 . 1 1 101 101 GLN HB2 H 1 1.844 0.020 . 1 . . . A 186 GLN HB2 . 19268 1 994 . 1 1 101 101 GLN HB3 H 1 1.844 0.020 . 1 . . . A 186 GLN HB3 . 19268 1 995 . 1 1 101 101 GLN HG2 H 1 2.037 0.020 . 2 . . . A 186 GLN HG2 . 19268 1 996 . 1 1 101 101 GLN HG3 H 1 1.566 0.020 . 2 . . . A 186 GLN HG3 . 19268 1 997 . 1 1 101 101 GLN HE21 H 1 6.722 0.020 . 2 . . . A 186 GLN HE21 . 19268 1 998 . 1 1 101 101 GLN HE22 H 1 6.652 0.020 . 2 . . . A 186 GLN HE22 . 19268 1 999 . 1 1 101 101 GLN CA C 13 57.741 0.300 . 1 . . . A 186 GLN CA . 19268 1 1000 . 1 1 101 101 GLN CB C 13 28.187 0.300 . 1 . . . A 186 GLN CB . 19268 1 1001 . 1 1 101 101 GLN CG C 13 33.424 0.300 . 1 . . . A 186 GLN CG . 19268 1 1002 . 1 1 101 101 GLN N N 15 116.514 0.300 . 1 . . . A 186 GLN N . 19268 1 1003 . 1 1 101 101 GLN NE2 N 15 110.064 0.300 . 1 . . . A 186 GLN NE2 . 19268 1 1004 . 1 1 102 102 HIS H H 1 8.131 0.020 . 1 . . . A 187 HIS H . 19268 1 1005 . 1 1 102 102 HIS HA H 1 4.593 0.020 . 1 . . . A 187 HIS HA . 19268 1 1006 . 1 1 102 102 HIS HB2 H 1 3.236 0.020 . 1 . . . A 187 HIS HB2 . 19268 1 1007 . 1 1 102 102 HIS HB3 H 1 3.236 0.020 . 1 . . . A 187 HIS HB3 . 19268 1 1008 . 1 1 102 102 HIS HD2 H 1 7.001 0.020 . 1 . . . A 187 HIS HD2 . 19268 1 1009 . 1 1 102 102 HIS CA C 13 58.904 0.300 . 1 . . . A 187 HIS CA . 19268 1 1010 . 1 1 102 102 HIS CB C 13 31.026 0.300 . 1 . . . A 187 HIS CB . 19268 1 1011 . 1 1 102 102 HIS CD2 C 13 121.047 0.300 . 1 . . . A 187 HIS CD2 . 19268 1 1012 . 1 1 102 102 HIS N N 15 117.714 0.300 . 1 . . . A 187 HIS N . 19268 1 1013 . 1 1 103 103 THR H H 1 8.208 0.020 . 1 . . . A 188 THR H . 19268 1 1014 . 1 1 103 103 THR HA H 1 4.179 0.020 . 1 . . . A 188 THR HA . 19268 1 1015 . 1 1 103 103 THR HB H 1 4.415 0.020 . 1 . . . A 188 THR HB . 19268 1 1016 . 1 1 103 103 THR HG21 H 1 1.205 0.020 . 1 . . . A 188 THR HG21 . 19268 1 1017 . 1 1 103 103 THR HG22 H 1 1.205 0.020 . 1 . . . A 188 THR HG22 . 19268 1 1018 . 1 1 103 103 THR HG23 H 1 1.205 0.020 . 1 . . . A 188 THR HG23 . 19268 1 1019 . 1 1 103 103 THR CA C 13 65.160 0.300 . 1 . . . A 188 THR CA . 19268 1 1020 . 1 1 103 103 THR CB C 13 69.167 0.300 . 1 . . . A 188 THR CB . 19268 1 1021 . 1 1 103 103 THR CG2 C 13 21.526 0.300 . 1 . . . A 188 THR CG2 . 19268 1 1022 . 1 1 103 103 THR N N 15 112.803 0.300 . 1 . . . A 188 THR N . 19268 1 1023 . 1 1 104 104 VAL H H 1 7.961 0.020 . 1 . . . A 189 VAL H . 19268 1 1024 . 1 1 104 104 VAL HA H 1 3.983 0.020 . 1 . . . A 189 VAL HA . 19268 1 1025 . 1 1 104 104 VAL HB H 1 2.195 0.020 . 1 . . . A 189 VAL HB . 19268 1 1026 . 1 1 104 104 VAL HG11 H 1 1.014 0.020 . 2 . . . A 189 VAL HG11 . 19268 1 1027 . 1 1 104 104 VAL HG12 H 1 1.014 0.020 . 2 . . . A 189 VAL HG12 . 19268 1 1028 . 1 1 104 104 VAL HG13 H 1 1.014 0.020 . 2 . . . A 189 VAL HG13 . 19268 1 1029 . 1 1 104 104 VAL HG21 H 1 0.938 0.020 . 2 . . . A 189 VAL HG21 . 19268 1 1030 . 1 1 104 104 VAL HG22 H 1 0.938 0.020 . 2 . . . A 189 VAL HG22 . 19268 1 1031 . 1 1 104 104 VAL HG23 H 1 0.938 0.020 . 2 . . . A 189 VAL HG23 . 19268 1 1032 . 1 1 104 104 VAL CA C 13 65.189 0.300 . 1 . . . A 189 VAL CA . 19268 1 1033 . 1 1 104 104 VAL CB C 13 31.981 0.300 . 1 . . . A 189 VAL CB . 19268 1 1034 . 1 1 104 104 VAL CG1 C 13 21.600 0.300 . 1 . . . A 189 VAL CG1 . 19268 1 1035 . 1 1 104 104 VAL CG2 C 13 21.000 0.300 . 1 . . . A 189 VAL CG2 . 19268 1 1036 . 1 1 104 104 VAL N N 15 122.231 0.300 . 1 . . . A 189 VAL N . 19268 1 1037 . 1 1 105 105 THR H H 1 8.064 0.020 . 1 . . . A 190 THR H . 19268 1 1038 . 1 1 105 105 THR HA H 1 4.206 0.020 . 1 . . . A 190 THR HA . 19268 1 1039 . 1 1 105 105 THR HB H 1 4.595 0.020 . 1 . . . A 190 THR HB . 19268 1 1040 . 1 1 105 105 THR HG21 H 1 1.271 0.020 . 1 . . . A 190 THR HG21 . 19268 1 1041 . 1 1 105 105 THR HG22 H 1 1.271 0.020 . 1 . . . A 190 THR HG22 . 19268 1 1042 . 1 1 105 105 THR HG23 H 1 1.271 0.020 . 1 . . . A 190 THR HG23 . 19268 1 1043 . 1 1 105 105 THR CA C 13 64.314 0.300 . 1 . . . A 190 THR CA . 19268 1 1044 . 1 1 105 105 THR CB C 13 69.159 0.300 . 1 . . . A 190 THR CB . 19268 1 1045 . 1 1 105 105 THR CG2 C 13 21.797 0.300 . 1 . . . A 190 THR CG2 . 19268 1 1046 . 1 1 105 105 THR N N 15 115.336 0.300 . 1 . . . A 190 THR N . 19268 1 1047 . 1 1 106 106 THR H H 1 7.996 0.020 . 1 . . . A 191 THR H . 19268 1 1048 . 1 1 106 106 THR HA H 1 4.170 0.020 . 1 . . . A 191 THR HA . 19268 1 1049 . 1 1 106 106 THR HB H 1 4.740 0.020 . 1 . . . A 191 THR HB . 19268 1 1050 . 1 1 106 106 THR HG21 H 1 0.992 0.020 . 1 . . . A 191 THR HG21 . 19268 1 1051 . 1 1 106 106 THR HG22 H 1 0.992 0.020 . 1 . . . A 191 THR HG22 . 19268 1 1052 . 1 1 106 106 THR HG23 H 1 0.992 0.020 . 1 . . . A 191 THR HG23 . 19268 1 1053 . 1 1 106 106 THR CA C 13 64.189 0.300 . 1 . . . A 191 THR CA . 19268 1 1054 . 1 1 106 106 THR CB C 13 69.009 0.300 . 1 . . . A 191 THR CB . 19268 1 1055 . 1 1 106 106 THR CG2 C 13 21.684 0.300 . 1 . . . A 191 THR CG2 . 19268 1 1056 . 1 1 106 106 THR N N 15 114.576 0.300 . 1 . . . A 191 THR N . 19268 1 1057 . 1 1 107 107 THR H H 1 8.139 0.020 . 1 . . . A 192 THR H . 19268 1 1058 . 1 1 107 107 THR HA H 1 4.359 0.020 . 1 . . . A 192 THR HA . 19268 1 1059 . 1 1 107 107 THR HB H 1 4.739 0.020 . 1 . . . A 192 THR HB . 19268 1 1060 . 1 1 107 107 THR HG21 H 1 1.281 0.020 . 1 . . . A 192 THR HG21 . 19268 1 1061 . 1 1 107 107 THR HG22 H 1 1.281 0.020 . 1 . . . A 192 THR HG22 . 19268 1 1062 . 1 1 107 107 THR HG23 H 1 1.281 0.020 . 1 . . . A 192 THR HG23 . 19268 1 1063 . 1 1 107 107 THR CA C 13 64.201 0.300 . 1 . . . A 192 THR CA . 19268 1 1064 . 1 1 107 107 THR CB C 13 69.159 0.300 . 1 . . . A 192 THR CB . 19268 1 1065 . 1 1 107 107 THR CG2 C 13 21.640 0.300 . 1 . . . A 192 THR CG2 . 19268 1 1066 . 1 1 107 107 THR N N 15 116.916 0.300 . 1 . . . A 192 THR N . 19268 1 1067 . 1 1 108 108 THR H H 1 7.843 0.020 . 1 . . . A 193 THR H . 19268 1 1068 . 1 1 108 108 THR HA H 1 4.217 0.020 . 1 . . . A 193 THR HA . 19268 1 1069 . 1 1 108 108 THR HB H 1 4.745 0.020 . 1 . . . A 193 THR HB . 19268 1 1070 . 1 1 108 108 THR HG21 H 1 1.256 0.020 . 1 . . . A 193 THR HG21 . 19268 1 1071 . 1 1 108 108 THR HG22 H 1 1.256 0.020 . 1 . . . A 193 THR HG22 . 19268 1 1072 . 1 1 108 108 THR HG23 H 1 1.256 0.020 . 1 . . . A 193 THR HG23 . 19268 1 1073 . 1 1 108 108 THR CA C 13 63.839 0.300 . 1 . . . A 193 THR CA . 19268 1 1074 . 1 1 108 108 THR CB C 13 69.002 0.300 . 1 . . . A 193 THR CB . 19268 1 1075 . 1 1 108 108 THR CG2 C 13 21.797 0.300 . 1 . . . A 193 THR CG2 . 19268 1 1076 . 1 1 108 108 THR N N 15 115.788 0.300 . 1 . . . A 193 THR N . 19268 1 1077 . 1 1 109 109 LYS H H 1 7.739 0.020 . 1 . . . A 194 LYS H . 19268 1 1078 . 1 1 109 109 LYS HA H 1 4.339 0.020 . 1 . . . A 194 LYS HA . 19268 1 1079 . 1 1 109 109 LYS HB2 H 1 1.952 0.020 . 2 . . . A 194 LYS HB2 . 19268 1 1080 . 1 1 109 109 LYS HB3 H 1 1.796 0.020 . 2 . . . A 194 LYS HB3 . 19268 1 1081 . 1 1 109 109 LYS HG2 H 1 1.456 0.020 . 1 . . . A 194 LYS HG2 . 19268 1 1082 . 1 1 109 109 LYS HG3 H 1 1.456 0.020 . 1 . . . A 194 LYS HG3 . 19268 1 1083 . 1 1 109 109 LYS HD2 H 1 1.638 0.020 . 1 . . . A 194 LYS HD2 . 19268 1 1084 . 1 1 109 109 LYS HD3 H 1 1.638 0.020 . 1 . . . A 194 LYS HD3 . 19268 1 1085 . 1 1 109 109 LYS HE2 H 1 2.961 0.020 . 1 . . . A 194 LYS HE2 . 19268 1 1086 . 1 1 109 109 LYS HE3 H 1 2.961 0.020 . 1 . . . A 194 LYS HE3 . 19268 1 1087 . 1 1 109 109 LYS CA C 13 56.454 0.300 . 1 . . . A 194 LYS CA . 19268 1 1088 . 1 1 109 109 LYS CB C 13 32.636 0.300 . 1 . . . A 194 LYS CB . 19268 1 1089 . 1 1 109 109 LYS CG C 13 24.860 0.300 . 1 . . . A 194 LYS CG . 19268 1 1090 . 1 1 109 109 LYS CD C 13 29.180 0.300 . 1 . . . A 194 LYS CD . 19268 1 1091 . 1 1 109 109 LYS CE C 13 42.218 0.300 . 1 . . . A 194 LYS CE . 19268 1 1092 . 1 1 109 109 LYS N N 15 120.872 0.300 . 1 . . . A 194 LYS N . 19268 1 1093 . 1 1 110 110 GLY H H 1 8.041 0.020 . 1 . . . A 195 GLY H . 19268 1 1094 . 1 1 110 110 GLY HA2 H 1 3.609 0.020 . 2 . . . A 195 GLY HA2 . 19268 1 1095 . 1 1 110 110 GLY HA3 H 1 3.394 0.020 . 2 . . . A 195 GLY HA3 . 19268 1 1096 . 1 1 110 110 GLY CA C 13 45.511 0.300 . 1 . . . A 195 GLY CA . 19268 1 1097 . 1 1 110 110 GLY N N 15 108.815 0.300 . 1 . . . A 195 GLY N . 19268 1 1098 . 1 1 111 111 GLU H H 1 7.605 0.020 . 1 . . . A 196 GLU H . 19268 1 1099 . 1 1 111 111 GLU HA H 1 4.209 0.020 . 1 . . . A 196 GLU HA . 19268 1 1100 . 1 1 111 111 GLU HB2 H 1 1.567 0.020 . 1 . . . A 196 GLU HB2 . 19268 1 1101 . 1 1 111 111 GLU HB3 H 1 1.567 0.020 . 1 . . . A 196 GLU HB3 . 19268 1 1102 . 1 1 111 111 GLU HG2 H 1 2.069 0.020 . 2 . . . A 196 GLU HG2 . 19268 1 1103 . 1 1 111 111 GLU HG3 H 1 1.986 0.020 . 2 . . . A 196 GLU HG3 . 19268 1 1104 . 1 1 111 111 GLU CA C 13 55.742 0.300 . 1 . . . A 196 GLU CA . 19268 1 1105 . 1 1 111 111 GLU CB C 13 30.673 0.300 . 1 . . . A 196 GLU CB . 19268 1 1106 . 1 1 111 111 GLU CG C 13 35.495 0.300 . 1 . . . A 196 GLU CG . 19268 1 1107 . 1 1 111 111 GLU N N 15 120.018 0.300 . 1 . . . A 196 GLU N . 19268 1 1108 . 1 1 112 112 ASN H H 1 8.389 0.020 . 1 . . . A 197 ASN H . 19268 1 1109 . 1 1 112 112 ASN HA H 1 4.621 0.020 . 1 . . . A 197 ASN HA . 19268 1 1110 . 1 1 112 112 ASN HB2 H 1 2.634 0.020 . 2 . . . A 197 ASN HB2 . 19268 1 1111 . 1 1 112 112 ASN HB3 H 1 2.573 0.020 . 2 . . . A 197 ASN HB3 . 19268 1 1112 . 1 1 112 112 ASN HD21 H 1 7.483 0.020 . 2 . . . A 197 ASN HD21 . 19268 1 1113 . 1 1 112 112 ASN HD22 H 1 6.765 0.020 . 2 . . . A 197 ASN HD22 . 19268 1 1114 . 1 1 112 112 ASN CA C 13 52.828 0.300 . 1 . . . A 197 ASN CA . 19268 1 1115 . 1 1 112 112 ASN CB C 13 40.491 0.300 . 1 . . . A 197 ASN CB . 19268 1 1116 . 1 1 112 112 ASN N N 15 119.624 0.300 . 1 . . . A 197 ASN N . 19268 1 1117 . 1 1 112 112 ASN ND2 N 15 113.082 0.300 . 1 . . . A 197 ASN ND2 . 19268 1 1118 . 1 1 113 113 PHE H H 1 8.604 0.020 . 1 . . . A 198 PHE H . 19268 1 1119 . 1 1 113 113 PHE HA H 1 5.266 0.020 . 1 . . . A 198 PHE HA . 19268 1 1120 . 1 1 113 113 PHE HB2 H 1 3.104 0.020 . 2 . . . A 198 PHE HB2 . 19268 1 1121 . 1 1 113 113 PHE HB3 H 1 2.899 0.020 . 2 . . . A 198 PHE HB3 . 19268 1 1122 . 1 1 113 113 PHE HD1 H 1 7.314 0.020 . 1 . . . A 198 PHE HD1 . 19268 1 1123 . 1 1 113 113 PHE HD2 H 1 7.314 0.020 . 1 . . . A 198 PHE HD2 . 19268 1 1124 . 1 1 113 113 PHE CA C 13 56.827 0.300 . 1 . . . A 198 PHE CA . 19268 1 1125 . 1 1 113 113 PHE CB C 13 40.098 0.300 . 1 . . . A 198 PHE CB . 19268 1 1126 . 1 1 113 113 PHE N N 15 121.886 0.300 . 1 . . . A 198 PHE N . 19268 1 1127 . 1 1 114 114 THR H H 1 9.532 0.020 . 1 . . . A 199 THR H . 19268 1 1128 . 1 1 114 114 THR HA H 1 4.604 0.020 . 1 . . . A 199 THR HA . 19268 1 1129 . 1 1 114 114 THR HB H 1 4.818 0.020 . 1 . . . A 199 THR HB . 19268 1 1130 . 1 1 114 114 THR HG21 H 1 1.405 0.020 . 1 . . . A 199 THR HG21 . 19268 1 1131 . 1 1 114 114 THR HG22 H 1 1.405 0.020 . 1 . . . A 199 THR HG22 . 19268 1 1132 . 1 1 114 114 THR HG23 H 1 1.405 0.020 . 1 . . . A 199 THR HG23 . 19268 1 1133 . 1 1 114 114 THR CA C 13 60.455 0.300 . 1 . . . A 199 THR CA . 19268 1 1134 . 1 1 114 114 THR CB C 13 72.222 0.300 . 1 . . . A 199 THR CB . 19268 1 1135 . 1 1 114 114 THR CG2 C 13 21.876 0.300 . 1 . . . A 199 THR CG2 . 19268 1 1136 . 1 1 114 114 THR N N 15 116.137 0.300 . 1 . . . A 199 THR N . 19268 1 1137 . 1 1 115 115 GLU H H 1 9.094 0.020 . 1 . . . A 200 GLU H . 19268 1 1138 . 1 1 115 115 GLU HA H 1 4.051 0.020 . 1 . . . A 200 GLU HA . 19268 1 1139 . 1 1 115 115 GLU HB2 H 1 2.053 0.020 . 1 . . . A 200 GLU HB2 . 19268 1 1140 . 1 1 115 115 GLU HB3 H 1 2.112 0.020 . 1 . . . A 200 GLU HB3 . 19268 1 1141 . 1 1 115 115 GLU HG2 H 1 2.400 0.020 . 2 . . . A 200 GLU HG2 . 19268 1 1142 . 1 1 115 115 GLU HG3 H 1 2.332 0.020 . 2 . . . A 200 GLU HG3 . 19268 1 1143 . 1 1 115 115 GLU CA C 13 59.877 0.300 . 1 . . . A 200 GLU CA . 19268 1 1144 . 1 1 115 115 GLU CB C 13 28.787 0.300 . 1 . . . A 200 GLU CB . 19268 1 1145 . 1 1 115 115 GLU CG C 13 35.856 0.300 . 1 . . . A 200 GLU CG . 19268 1 1146 . 1 1 115 115 GLU N N 15 119.964 0.300 . 1 . . . A 200 GLU N . 19268 1 1147 . 1 1 116 116 THR H H 1 7.908 0.020 . 1 . . . A 201 THR H . 19268 1 1148 . 1 1 116 116 THR HA H 1 3.777 0.020 . 1 . . . A 201 THR HA . 19268 1 1149 . 1 1 116 116 THR HB H 1 3.733 0.020 . 1 . . . A 201 THR HB . 19268 1 1150 . 1 1 116 116 THR HG21 H 1 0.687 0.020 . 1 . . . A 201 THR HG21 . 19268 1 1151 . 1 1 116 116 THR HG22 H 1 0.687 0.020 . 1 . . . A 201 THR HG22 . 19268 1 1152 . 1 1 116 116 THR HG23 H 1 0.687 0.020 . 1 . . . A 201 THR HG23 . 19268 1 1153 . 1 1 116 116 THR CA C 13 66.979 0.300 . 1 . . . A 201 THR CA . 19268 1 1154 . 1 1 116 116 THR CB C 13 68.609 0.300 . 1 . . . A 201 THR CB . 19268 1 1155 . 1 1 116 116 THR CG2 C 13 21.012 0.300 . 1 . . . A 201 THR CG2 . 19268 1 1156 . 1 1 116 116 THR N N 15 116.175 0.300 . 1 . . . A 201 THR N . 19268 1 1157 . 1 1 117 117 ASP H H 1 7.440 0.020 . 1 . . . A 202 ASP H . 19268 1 1158 . 1 1 117 117 ASP HA H 1 4.606 0.020 . 1 . . . A 202 ASP HA . 19268 1 1159 . 1 1 117 117 ASP HB2 H 1 3.349 0.020 . 2 . . . A 202 ASP HB2 . 19268 1 1160 . 1 1 117 117 ASP HB3 H 1 2.621 0.020 . 2 . . . A 202 ASP HB3 . 19268 1 1161 . 1 1 117 117 ASP CA C 13 58.057 0.300 . 1 . . . A 202 ASP CA . 19268 1 1162 . 1 1 117 117 ASP CB C 13 41.747 0.300 . 1 . . . A 202 ASP CB . 19268 1 1163 . 1 1 117 117 ASP N N 15 119.979 0.300 . 1 . . . A 202 ASP N . 19268 1 1164 . 1 1 118 118 VAL H H 1 8.181 0.020 . 1 . . . A 203 VAL H . 19268 1 1165 . 1 1 118 118 VAL HA H 1 3.235 0.020 . 1 . . . A 203 VAL HA . 19268 1 1166 . 1 1 118 118 VAL HB H 1 2.069 0.020 . 1 . . . A 203 VAL HB . 19268 1 1167 . 1 1 118 118 VAL HG11 H 1 0.864 0.020 . 2 . . . A 203 VAL HG11 . 19268 1 1168 . 1 1 118 118 VAL HG12 H 1 0.864 0.020 . 2 . . . A 203 VAL HG12 . 19268 1 1169 . 1 1 118 118 VAL HG13 H 1 0.864 0.020 . 2 . . . A 203 VAL HG13 . 19268 1 1170 . 1 1 118 118 VAL HG21 H 1 0.924 0.020 . 2 . . . A 203 VAL HG21 . 19268 1 1171 . 1 1 118 118 VAL HG22 H 1 0.924 0.020 . 2 . . . A 203 VAL HG22 . 19268 1 1172 . 1 1 118 118 VAL HG23 H 1 0.924 0.020 . 2 . . . A 203 VAL HG23 . 19268 1 1173 . 1 1 118 118 VAL CA C 13 67.951 0.300 . 1 . . . A 203 VAL CA . 19268 1 1174 . 1 1 118 118 VAL CB C 13 31.269 0.300 . 1 . . . A 203 VAL CB . 19268 1 1175 . 1 1 118 118 VAL CG1 C 13 21.000 0.300 . 1 . . . A 203 VAL CG1 . 19268 1 1176 . 1 1 118 118 VAL CG2 C 13 22.700 0.300 . 1 . . . A 203 VAL CG2 . 19268 1 1177 . 1 1 118 118 VAL N N 15 119.217 0.300 . 1 . . . A 203 VAL N . 19268 1 1178 . 1 1 119 119 LYS H H 1 7.766 0.020 . 1 . . . A 204 LYS H . 19268 1 1179 . 1 1 119 119 LYS HA H 1 4.053 0.020 . 1 . . . A 204 LYS HA . 19268 1 1180 . 1 1 119 119 LYS HB2 H 1 1.948 0.020 . 2 . . . A 204 LYS HB2 . 19268 1 1181 . 1 1 119 119 LYS HB3 H 1 1.918 0.020 . 2 . . . A 204 LYS HB3 . 19268 1 1182 . 1 1 119 119 LYS HG2 H 1 1.621 0.020 . 2 . . . A 204 LYS HG2 . 19268 1 1183 . 1 1 119 119 LYS HG3 H 1 1.439 0.020 . 2 . . . A 204 LYS HG3 . 19268 1 1184 . 1 1 119 119 LYS HD2 H 1 1.647 0.020 . 1 . . . A 204 LYS HD2 . 19268 1 1185 . 1 1 119 119 LYS HD3 H 1 1.647 0.020 . 1 . . . A 204 LYS HD3 . 19268 1 1186 . 1 1 119 119 LYS HE2 H 1 2.918 0.020 . 1 . . . A 204 LYS HE2 . 19268 1 1187 . 1 1 119 119 LYS HE3 H 1 2.918 0.020 . 1 . . . A 204 LYS HE3 . 19268 1 1188 . 1 1 119 119 LYS CA C 13 59.526 0.300 . 1 . . . A 204 LYS CA . 19268 1 1189 . 1 1 119 119 LYS CB C 13 32.165 0.300 . 1 . . . A 204 LYS CB . 19268 1 1190 . 1 1 119 119 LYS CG C 13 25.253 0.300 . 1 . . . A 204 LYS CG . 19268 1 1191 . 1 1 119 119 LYS CD C 13 29.259 0.300 . 1 . . . A 204 LYS CD . 19268 1 1192 . 1 1 119 119 LYS CE C 13 41.983 0.300 . 1 . . . A 204 LYS CE . 19268 1 1193 . 1 1 119 119 LYS N N 15 119.368 0.300 . 1 . . . A 204 LYS N . 19268 1 1194 . 1 1 120 120 MET H H 1 8.208 0.020 . 1 . . . A 205 MET H . 19268 1 1195 . 1 1 120 120 MET HA H 1 4.212 0.020 . 1 . . . A 205 MET HA . 19268 1 1196 . 1 1 120 120 MET HB2 H 1 2.463 0.020 . 2 . . . A 205 MET HB2 . 19268 1 1197 . 1 1 120 120 MET HB3 H 1 2.063 0.020 . 2 . . . A 205 MET HB3 . 19268 1 1198 . 1 1 120 120 MET HG2 H 1 3.012 0.020 . 2 . . . A 205 MET HG2 . 19268 1 1199 . 1 1 120 120 MET HG3 H 1 2.192 0.020 . 2 . . . A 205 MET HG3 . 19268 1 1200 . 1 1 120 120 MET HE1 H 1 1.459 0.020 . 1 . . . A 205 MET HE1 . 19268 1 1201 . 1 1 120 120 MET HE2 H 1 1.459 0.020 . 1 . . . A 205 MET HE2 . 19268 1 1202 . 1 1 120 120 MET HE3 H 1 1.459 0.020 . 1 . . . A 205 MET HE3 . 19268 1 1203 . 1 1 120 120 MET CA C 13 59.932 0.300 . 1 . . . A 205 MET CA . 19268 1 1204 . 1 1 120 120 MET CB C 13 33.078 0.300 . 1 . . . A 205 MET CB . 19268 1 1205 . 1 1 120 120 MET CG C 13 34.114 0.300 . 1 . . . A 205 MET CG . 19268 1 1206 . 1 1 120 120 MET CE C 13 18.290 0.300 . 1 . . . A 205 MET CE . 19268 1 1207 . 1 1 120 120 MET N N 15 118.449 0.300 . 1 . . . A 205 MET N . 19268 1 1208 . 1 1 121 121 MET H H 1 8.731 0.020 . 1 . . . A 206 MET H . 19268 1 1209 . 1 1 121 121 MET HA H 1 3.628 0.020 . 1 . . . A 206 MET HA . 19268 1 1210 . 1 1 121 121 MET HB2 H 1 1.734 0.020 . 2 . . . A 206 MET HB2 . 19268 1 1211 . 1 1 121 121 MET HB3 H 1 1.560 0.020 . 2 . . . A 206 MET HB3 . 19268 1 1212 . 1 1 121 121 MET HG2 H 1 1.854 0.020 . 1 . . . A 206 MET HG2 . 19268 1 1213 . 1 1 121 121 MET HG3 H 1 1.854 0.020 . 1 . . . A 206 MET HG3 . 19268 1 1214 . 1 1 121 121 MET HE1 H 1 1.178 0.020 . 1 . . . A 206 MET HE1 . 19268 1 1215 . 1 1 121 121 MET HE2 H 1 1.178 0.020 . 1 . . . A 206 MET HE2 . 19268 1 1216 . 1 1 121 121 MET HE3 H 1 1.178 0.020 . 1 . . . A 206 MET HE3 . 19268 1 1217 . 1 1 121 121 MET CA C 13 60.147 0.300 . 1 . . . A 206 MET CA . 19268 1 1218 . 1 1 121 121 MET CB C 13 32.777 0.300 . 1 . . . A 206 MET CB . 19268 1 1219 . 1 1 121 121 MET CG C 13 33.949 0.300 . 1 . . . A 206 MET CG . 19268 1 1220 . 1 1 121 121 MET CE C 13 15.730 0.300 . 1 . . . A 206 MET CE . 19268 1 1221 . 1 1 121 121 MET N N 15 118.457 0.300 . 1 . . . A 206 MET N . 19268 1 1222 . 1 1 122 122 GLU H H 1 8.650 0.020 . 1 . . . A 207 GLU H . 19268 1 1223 . 1 1 122 122 GLU HA H 1 3.672 0.020 . 1 . . . A 207 GLU HA . 19268 1 1224 . 1 1 122 122 GLU HB2 H 1 2.021 0.020 . 2 . . . A 207 GLU HB2 . 19268 1 1225 . 1 1 122 122 GLU HB3 H 1 2.214 0.020 . 2 . . . A 207 GLU HB3 . 19268 1 1226 . 1 1 122 122 GLU HG2 H 1 2.529 0.020 . 2 . . . A 207 GLU HG2 . 19268 1 1227 . 1 1 122 122 GLU HG3 H 1 2.162 0.020 . 2 . . . A 207 GLU HG3 . 19268 1 1228 . 1 1 122 122 GLU CA C 13 60.742 0.300 . 1 . . . A 207 GLU CA . 19268 1 1229 . 1 1 122 122 GLU CB C 13 28.448 0.300 . 1 . . . A 207 GLU CB . 19268 1 1230 . 1 1 122 122 GLU CG C 13 35.531 0.300 . 1 . . . A 207 GLU CG . 19268 1 1231 . 1 1 122 122 GLU N N 15 119.394 0.300 . 1 . . . A 207 GLU N . 19268 1 1232 . 1 1 123 123 ARG H H 1 7.205 0.020 . 1 . . . A 208 ARG H . 19268 1 1233 . 1 1 123 123 ARG HA H 1 4.163 0.020 . 1 . . . A 208 ARG HA . 19268 1 1234 . 1 1 123 123 ARG HB2 H 1 2.023 0.020 . 1 . . . A 208 ARG HB2 . 19268 1 1235 . 1 1 123 123 ARG HB3 H 1 2.023 0.020 . 1 . . . A 208 ARG HB3 . 19268 1 1236 . 1 1 123 123 ARG HG2 H 1 1.830 0.020 . 2 . . . A 208 ARG HG2 . 19268 1 1237 . 1 1 123 123 ARG HG3 H 1 1.714 0.020 . 2 . . . A 208 ARG HG3 . 19268 1 1238 . 1 1 123 123 ARG HD2 H 1 3.205 0.020 . 2 . . . A 208 ARG HD2 . 19268 1 1239 . 1 1 123 123 ARG HD3 H 1 3.110 0.020 . 2 . . . A 208 ARG HD3 . 19268 1 1240 . 1 1 123 123 ARG HE H 1 7.218 0.020 . 1 . . . A 208 ARG HE . 19268 1 1241 . 1 1 123 123 ARG CA C 13 58.283 0.300 . 1 . . . A 208 ARG CA . 19268 1 1242 . 1 1 123 123 ARG CB C 13 30.101 0.300 . 1 . . . A 208 ARG CB . 19268 1 1243 . 1 1 123 123 ARG CG C 13 26.953 0.300 . 1 . . . A 208 ARG CG . 19268 1 1244 . 1 1 123 123 ARG CD C 13 42.693 0.300 . 1 . . . A 208 ARG CD . 19268 1 1245 . 1 1 123 123 ARG N N 15 117.131 0.300 . 1 . . . A 208 ARG N . 19268 1 1246 . 1 1 123 123 ARG NE N 15 83.420 0.300 . 1 . . . A 208 ARG NE . 19268 1 1247 . 1 1 124 124 MET H H 1 8.377 0.020 . 1 . . . A 209 MET H . 19268 1 1248 . 1 1 124 124 MET HA H 1 3.852 0.020 . 1 . . . A 209 MET HA . 19268 1 1249 . 1 1 124 124 MET HB2 H 1 2.534 0.020 . 2 . . . A 209 MET HB2 . 19268 1 1250 . 1 1 124 124 MET HB3 H 1 3.164 0.020 . 2 . . . A 209 MET HB3 . 19268 1 1251 . 1 1 124 124 MET HG2 H 1 2.461 0.020 . 2 . . . A 209 MET HG2 . 19268 1 1252 . 1 1 124 124 MET HG3 H 1 2.234 0.020 . 2 . . . A 209 MET HG3 . 19268 1 1253 . 1 1 124 124 MET HE1 H 1 2.383 0.020 . 1 . . . A 209 MET HE1 . 19268 1 1254 . 1 1 124 124 MET HE2 H 1 2.383 0.020 . 1 . . . A 209 MET HE2 . 19268 1 1255 . 1 1 124 124 MET HE3 H 1 2.383 0.020 . 1 . . . A 209 MET HE3 . 19268 1 1256 . 1 1 124 124 MET CA C 13 59.571 0.300 . 1 . . . A 209 MET CA . 19268 1 1257 . 1 1 124 124 MET CB C 13 32.042 0.300 . 1 . . . A 209 MET CB . 19268 1 1258 . 1 1 124 124 MET CG C 13 34.114 0.300 . 1 . . . A 209 MET CG . 19268 1 1259 . 1 1 124 124 MET CE C 13 19.366 0.300 . 1 . . . A 209 MET CE . 19268 1 1260 . 1 1 124 124 MET N N 15 120.120 0.300 . 1 . . . A 209 MET N . 19268 1 1261 . 1 1 125 125 VAL H H 1 9.566 0.020 . 1 . . . A 210 VAL H . 19268 1 1262 . 1 1 125 125 VAL HA H 1 3.687 0.020 . 1 . . . A 210 VAL HA . 19268 1 1263 . 1 1 125 125 VAL HB H 1 2.260 0.020 . 1 . . . A 210 VAL HB . 19268 1 1264 . 1 1 125 125 VAL HG11 H 1 1.197 0.020 . 2 . . . A 210 VAL HG11 . 19268 1 1265 . 1 1 125 125 VAL HG12 H 1 1.197 0.020 . 2 . . . A 210 VAL HG12 . 19268 1 1266 . 1 1 125 125 VAL HG13 H 1 1.197 0.020 . 2 . . . A 210 VAL HG13 . 19268 1 1267 . 1 1 125 125 VAL HG21 H 1 0.968 0.020 . 2 . . . A 210 VAL HG21 . 19268 1 1268 . 1 1 125 125 VAL HG22 H 1 0.968 0.020 . 2 . . . A 210 VAL HG22 . 19268 1 1269 . 1 1 125 125 VAL HG23 H 1 0.968 0.020 . 2 . . . A 210 VAL HG23 . 19268 1 1270 . 1 1 125 125 VAL CA C 13 66.016 0.300 . 1 . . . A 210 VAL CA . 19268 1 1271 . 1 1 125 125 VAL CB C 13 31.497 0.300 . 1 . . . A 210 VAL CB . 19268 1 1272 . 1 1 125 125 VAL CG1 C 13 24.949 0.300 . 1 . . . A 210 VAL CG1 . 19268 1 1273 . 1 1 125 125 VAL CG2 C 13 24.525 0.300 . 1 . . . A 210 VAL CG2 . 19268 1 1274 . 1 1 125 125 VAL N N 15 119.588 0.300 . 1 . . . A 210 VAL N . 19268 1 1275 . 1 1 126 126 GLU H H 1 7.856 0.020 . 1 . . . A 211 GLU H . 19268 1 1276 . 1 1 126 126 GLU HA H 1 3.566 0.020 . 1 . . . A 211 GLU HA . 19268 1 1277 . 1 1 126 126 GLU HB2 H 1 2.136 0.020 . 1 . . . A 211 GLU HB2 . 19268 1 1278 . 1 1 126 126 GLU HB3 H 1 2.136 0.020 . 1 . . . A 211 GLU HB3 . 19268 1 1279 . 1 1 126 126 GLU HG2 H 1 2.129 0.020 . 1 . . . A 211 GLU HG2 . 19268 1 1280 . 1 1 126 126 GLU HG3 H 1 2.129 0.020 . 1 . . . A 211 GLU HG3 . 19268 1 1281 . 1 1 126 126 GLU CA C 13 61.072 0.300 . 1 . . . A 211 GLU CA . 19268 1 1282 . 1 1 126 126 GLU CB C 13 28.921 0.300 . 1 . . . A 211 GLU CB . 19268 1 1283 . 1 1 126 126 GLU CG C 13 35.846 0.300 . 1 . . . A 211 GLU CG . 19268 1 1284 . 1 1 126 126 GLU N N 15 121.174 0.300 . 1 . . . A 211 GLU N . 19268 1 1285 . 1 1 127 127 GLN H H 1 7.004 0.020 . 1 . . . A 212 GLN H . 19268 1 1286 . 1 1 127 127 GLN HA H 1 3.964 0.020 . 1 . . . A 212 GLN HA . 19268 1 1287 . 1 1 127 127 GLN HB2 H 1 2.142 0.020 . 2 . . . A 212 GLN HB2 . 19268 1 1288 . 1 1 127 127 GLN HB3 H 1 2.220 0.020 . 2 . . . A 212 GLN HB3 . 19268 1 1289 . 1 1 127 127 GLN HG2 H 1 2.417 0.020 . 1 . . . A 212 GLN HG2 . 19268 1 1290 . 1 1 127 127 GLN HG3 H 1 2.417 0.020 . 1 . . . A 212 GLN HG3 . 19268 1 1291 . 1 1 127 127 GLN HE21 H 1 7.284 0.020 . 2 . . . A 212 GLN HE21 . 19268 1 1292 . 1 1 127 127 GLN HE22 H 1 6.715 0.020 . 2 . . . A 212 GLN HE22 . 19268 1 1293 . 1 1 127 127 GLN CA C 13 58.927 0.300 . 1 . . . A 212 GLN CA . 19268 1 1294 . 1 1 127 127 GLN CB C 13 27.583 0.300 . 1 . . . A 212 GLN CB . 19268 1 1295 . 1 1 127 127 GLN CG C 13 33.721 0.300 . 1 . . . A 212 GLN CG . 19268 1 1296 . 1 1 127 127 GLN N N 15 114.809 0.300 . 1 . . . A 212 GLN N . 19268 1 1297 . 1 1 127 127 GLN NE2 N 15 115.357 0.300 . 1 . . . A 212 GLN NE2 . 19268 1 1298 . 1 1 128 128 MET H H 1 8.015 0.020 . 1 . . . A 213 MET H . 19268 1 1299 . 1 1 128 128 MET HA H 1 4.146 0.020 . 1 . . . A 213 MET HA . 19268 1 1300 . 1 1 128 128 MET HB2 H 1 2.465 0.020 . 1 . . . A 213 MET HB2 . 19268 1 1301 . 1 1 128 128 MET HB3 H 1 2.465 0.020 . 1 . . . A 213 MET HB3 . 19268 1 1302 . 1 1 128 128 MET HG2 H 1 2.712 0.020 . 1 . . . A 213 MET HG2 . 19268 1 1303 . 1 1 128 128 MET HG3 H 1 2.712 0.020 . 1 . . . A 213 MET HG3 . 19268 1 1304 . 1 1 128 128 MET HE1 H 1 1.903 0.020 . 1 . . . A 213 MET HE1 . 19268 1 1305 . 1 1 128 128 MET HE2 H 1 1.903 0.020 . 1 . . . A 213 MET HE2 . 19268 1 1306 . 1 1 128 128 MET HE3 H 1 1.903 0.020 . 1 . . . A 213 MET HE3 . 19268 1 1307 . 1 1 128 128 MET CA C 13 59.842 0.300 . 1 . . . A 213 MET CA . 19268 1 1308 . 1 1 128 128 MET CB C 13 31.911 0.300 . 1 . . . A 213 MET CB . 19268 1 1309 . 1 1 128 128 MET CE C 13 16.400 0.300 . 1 . . . A 213 MET CE . 19268 1 1310 . 1 1 128 128 MET N N 15 119.613 0.300 . 1 . . . A 213 MET N . 19268 1 1311 . 1 1 129 129 CYS H H 1 9.279 0.020 . 1 . . . A 214 CYS H . 19268 1 1312 . 1 1 129 129 CYS HA H 1 4.259 0.020 . 1 . . . A 214 CYS HA . 19268 1 1313 . 1 1 129 129 CYS HB2 H 1 3.505 0.020 . 1 . . . A 214 CYS HB2 . 19268 1 1314 . 1 1 129 129 CYS HB3 H 1 2.868 0.020 . 1 . . . A 214 CYS HB3 . 19268 1 1315 . 1 1 129 129 CYS CA C 13 60.011 0.300 . 1 . . . A 214 CYS CA . 19268 1 1316 . 1 1 129 129 CYS CB C 13 42.063 0.300 . 1 . . . A 214 CYS CB . 19268 1 1317 . 1 1 129 129 CYS N N 15 119.258 0.300 . 1 . . . A 214 CYS N . 19268 1 1318 . 1 1 130 130 ILE H H 1 8.195 0.020 . 1 . . . A 215 ILE H . 19268 1 1319 . 1 1 130 130 ILE HA H 1 3.546 0.020 . 1 . . . A 215 ILE HA . 19268 1 1320 . 1 1 130 130 ILE HB H 1 2.005 0.020 . 1 . . . A 215 ILE HB . 19268 1 1321 . 1 1 130 130 ILE HG12 H 1 1.971 0.020 . 2 . . . A 215 ILE HG12 . 19268 1 1322 . 1 1 130 130 ILE HG13 H 1 0.825 0.020 . 2 . . . A 215 ILE HG13 . 19268 1 1323 . 1 1 130 130 ILE HG21 H 1 0.867 0.020 . 1 . . . A 215 ILE HG21 . 19268 1 1324 . 1 1 130 130 ILE HG22 H 1 0.867 0.020 . 1 . . . A 215 ILE HG22 . 19268 1 1325 . 1 1 130 130 ILE HG23 H 1 0.867 0.020 . 1 . . . A 215 ILE HG23 . 19268 1 1326 . 1 1 130 130 ILE HD11 H 1 0.822 0.020 . 1 . . . A 215 ILE HD11 . 19268 1 1327 . 1 1 130 130 ILE HD12 H 1 0.822 0.020 . 1 . . . A 215 ILE HD12 . 19268 1 1328 . 1 1 130 130 ILE HD13 H 1 0.822 0.020 . 1 . . . A 215 ILE HD13 . 19268 1 1329 . 1 1 130 130 ILE CA C 13 66.428 0.300 . 1 . . . A 215 ILE CA . 19268 1 1330 . 1 1 130 130 ILE CB C 13 37.814 0.300 . 1 . . . A 215 ILE CB . 19268 1 1331 . 1 1 130 130 ILE CG1 C 13 30.800 0.300 . 1 . . . A 215 ILE CG1 . 19268 1 1332 . 1 1 130 130 ILE CG2 C 13 17.074 0.300 . 1 . . . A 215 ILE CG2 . 19268 1 1333 . 1 1 130 130 ILE CD1 C 13 13.900 0.300 . 1 . . . A 215 ILE CD1 . 19268 1 1334 . 1 1 130 130 ILE N N 15 123.891 0.300 . 1 . . . A 215 ILE N . 19268 1 1335 . 1 1 131 131 THR H H 1 8.091 0.020 . 1 . . . A 216 THR H . 19268 1 1336 . 1 1 131 131 THR HA H 1 3.918 0.020 . 1 . . . A 216 THR HA . 19268 1 1337 . 1 1 131 131 THR HB H 1 4.332 0.020 . 1 . . . A 216 THR HB . 19268 1 1338 . 1 1 131 131 THR HG21 H 1 1.205 0.020 . 1 . . . A 216 THR HG21 . 19268 1 1339 . 1 1 131 131 THR HG22 H 1 1.205 0.020 . 1 . . . A 216 THR HG22 . 19268 1 1340 . 1 1 131 131 THR HG23 H 1 1.205 0.020 . 1 . . . A 216 THR HG23 . 19268 1 1341 . 1 1 131 131 THR CA C 13 67.400 0.300 . 1 . . . A 216 THR CA . 19268 1 1342 . 1 1 131 131 THR CB C 13 69.608 0.300 . 1 . . . A 216 THR CB . 19268 1 1343 . 1 1 131 131 THR CG2 C 13 22.153 0.300 . 1 . . . A 216 THR CG2 . 19268 1 1344 . 1 1 131 131 THR N N 15 118.815 0.300 . 1 . . . A 216 THR N . 19268 1 1345 . 1 1 132 132 GLN H H 1 8.742 0.020 . 1 . . . A 217 GLN H . 19268 1 1346 . 1 1 132 132 GLN HA H 1 3.625 0.020 . 1 . . . A 217 GLN HA . 19268 1 1347 . 1 1 132 132 GLN HB2 H 1 2.263 0.020 . 2 . . . A 217 GLN HB2 . 19268 1 1348 . 1 1 132 132 GLN HB3 H 1 2.107 0.020 . 2 . . . A 217 GLN HB3 . 19268 1 1349 . 1 1 132 132 GLN HE21 H 1 7.490 0.020 . 2 . . . A 217 GLN HE21 . 19268 1 1350 . 1 1 132 132 GLN HE22 H 1 6.862 0.020 . 2 . . . A 217 GLN HE22 . 19268 1 1351 . 1 1 132 132 GLN CA C 13 58.622 0.300 . 1 . . . A 217 GLN CA . 19268 1 1352 . 1 1 132 132 GLN CB C 13 28.134 0.300 . 1 . . . A 217 GLN CB . 19268 1 1353 . 1 1 132 132 GLN N N 15 122.330 0.300 . 1 . . . A 217 GLN N . 19268 1 1354 . 1 1 132 132 GLN NE2 N 15 113.431 0.300 . 1 . . . A 217 GLN NE2 . 19268 1 1355 . 1 1 133 133 TYR H H 1 8.565 0.020 . 1 . . . A 218 TYR H . 19268 1 1356 . 1 1 133 133 TYR HA H 1 4.532 0.020 . 1 . . . A 218 TYR HA . 19268 1 1357 . 1 1 133 133 TYR HB2 H 1 3.063 0.020 . 2 . . . A 218 TYR HB2 . 19268 1 1358 . 1 1 133 133 TYR HB3 H 1 2.906 0.020 . 2 . . . A 218 TYR HB3 . 19268 1 1359 . 1 1 133 133 TYR HD1 H 1 6.170 0.020 . 1 . . . A 218 TYR HD1 . 19268 1 1360 . 1 1 133 133 TYR HD2 H 1 6.170 0.020 . 1 . . . A 218 TYR HD2 . 19268 1 1361 . 1 1 133 133 TYR HE1 H 1 6.532 0.020 . 1 . . . A 218 TYR HE1 . 19268 1 1362 . 1 1 133 133 TYR HE2 H 1 6.532 0.020 . 1 . . . A 218 TYR HE2 . 19268 1 1363 . 1 1 133 133 TYR CA C 13 61.976 0.300 . 1 . . . A 218 TYR CA . 19268 1 1364 . 1 1 133 133 TYR CB C 13 37.912 0.300 . 1 . . . A 218 TYR CB . 19268 1 1365 . 1 1 133 133 TYR CD1 C 13 132.161 0.300 . 1 . . . A 218 TYR CD1 . 19268 1 1366 . 1 1 133 133 TYR CE1 C 13 117.396 0.300 . 1 . . . A 218 TYR CE1 . 19268 1 1367 . 1 1 133 133 TYR N N 15 121.548 0.300 . 1 . . . A 218 TYR N . 19268 1 1368 . 1 1 134 134 GLU H H 1 8.273 0.020 . 1 . . . A 219 GLU H . 19268 1 1369 . 1 1 134 134 GLU HA H 1 3.746 0.020 . 1 . . . A 219 GLU HA . 19268 1 1370 . 1 1 134 134 GLU HB2 H 1 2.345 0.020 . 2 . . . A 219 GLU HB2 . 19268 1 1371 . 1 1 134 134 GLU HB3 H 1 2.051 0.020 . 2 . . . A 219 GLU HB3 . 19268 1 1372 . 1 1 134 134 GLU HG2 H 1 2.616 0.020 . 2 . . . A 219 GLU HG2 . 19268 1 1373 . 1 1 134 134 GLU HG3 H 1 2.370 0.020 . 2 . . . A 219 GLU HG3 . 19268 1 1374 . 1 1 134 134 GLU CA C 13 59.356 0.300 . 1 . . . A 219 GLU CA . 19268 1 1375 . 1 1 134 134 GLU CB C 13 28.324 0.300 . 1 . . . A 219 GLU CB . 19268 1 1376 . 1 1 134 134 GLU CG C 13 35.138 0.300 . 1 . . . A 219 GLU CG . 19268 1 1377 . 1 1 134 134 GLU N N 15 120.789 0.300 . 1 . . . A 219 GLU N . 19268 1 1378 . 1 1 135 135 ARG H H 1 7.953 0.020 . 1 . . . A 220 ARG H . 19268 1 1379 . 1 1 135 135 ARG HA H 1 3.960 0.020 . 1 . . . A 220 ARG HA . 19268 1 1380 . 1 1 135 135 ARG HB2 H 1 1.956 0.020 . 2 . . . A 220 ARG HB2 . 19268 1 1381 . 1 1 135 135 ARG HB3 H 1 1.817 0.020 . 2 . . . A 220 ARG HB3 . 19268 1 1382 . 1 1 135 135 ARG HG2 H 1 1.834 0.020 . 2 . . . A 220 ARG HG2 . 19268 1 1383 . 1 1 135 135 ARG HG3 H 1 1.594 0.020 . 2 . . . A 220 ARG HG3 . 19268 1 1384 . 1 1 135 135 ARG HD2 H 1 3.054 0.020 . 2 . . . A 220 ARG HD2 . 19268 1 1385 . 1 1 135 135 ARG HD3 H 1 2.896 0.020 . 2 . . . A 220 ARG HD3 . 19268 1 1386 . 1 1 135 135 ARG HE H 1 7.210 0.020 . 1 . . . A 220 ARG HE . 19268 1 1387 . 1 1 135 135 ARG CA C 13 59.266 0.300 . 1 . . . A 220 ARG CA . 19268 1 1388 . 1 1 135 135 ARG CB C 13 30.337 0.300 . 1 . . . A 220 ARG CB . 19268 1 1389 . 1 1 135 135 ARG CG C 13 26.953 0.300 . 1 . . . A 220 ARG CG . 19268 1 1390 . 1 1 135 135 ARG CD C 13 44.267 0.300 . 1 . . . A 220 ARG CD . 19268 1 1391 . 1 1 135 135 ARG N N 15 119.196 0.300 . 1 . . . A 220 ARG N . 19268 1 1392 . 1 1 135 135 ARG NE N 15 84.240 0.300 . 1 . . . A 220 ARG NE . 19268 1 1393 . 1 1 136 136 GLU H H 1 8.319 0.020 . 1 . . . A 221 GLU H . 19268 1 1394 . 1 1 136 136 GLU HA H 1 4.008 0.020 . 1 . . . A 221 GLU HA . 19268 1 1395 . 1 1 136 136 GLU HB2 H 1 2.039 0.020 . 2 . . . A 221 GLU HB2 . 19268 1 1396 . 1 1 136 136 GLU HB3 H 1 1.692 0.020 . 2 . . . A 221 GLU HB3 . 19268 1 1397 . 1 1 136 136 GLU HG2 H 1 2.365 0.020 . 2 . . . A 221 GLU HG2 . 19268 1 1398 . 1 1 136 136 GLU HG3 H 1 2.185 0.020 . 2 . . . A 221 GLU HG3 . 19268 1 1399 . 1 1 136 136 GLU CA C 13 57.967 0.300 . 1 . . . A 221 GLU CA . 19268 1 1400 . 1 1 136 136 GLU CB C 13 29.708 0.300 . 1 . . . A 221 GLU CB . 19268 1 1401 . 1 1 136 136 GLU CG C 13 36.292 0.300 . 1 . . . A 221 GLU CG . 19268 1 1402 . 1 1 136 136 GLU N N 15 118.869 0.300 . 1 . . . A 221 GLU N . 19268 1 1403 . 1 1 137 137 SER H H 1 8.364 0.020 . 1 . . . A 222 SER H . 19268 1 1404 . 1 1 137 137 SER HA H 1 3.902 0.020 . 1 . . . A 222 SER HA . 19268 1 1405 . 1 1 137 137 SER HB2 H 1 3.616 0.020 . 2 . . . A 222 SER HB2 . 19268 1 1406 . 1 1 137 137 SER HB3 H 1 3.410 0.020 . 2 . . . A 222 SER HB3 . 19268 1 1407 . 1 1 137 137 SER CA C 13 61.231 0.300 . 1 . . . A 222 SER CA . 19268 1 1408 . 1 1 137 137 SER CB C 13 62.761 0.300 . 1 . . . A 222 SER CB . 19268 1 1409 . 1 1 137 137 SER N N 15 115.760 0.300 . 1 . . . A 222 SER N . 19268 1 1410 . 1 1 138 138 GLN H H 1 7.604 0.020 . 1 . . . A 223 GLN H . 19268 1 1411 . 1 1 138 138 GLN HA H 1 4.099 0.020 . 1 . . . A 223 GLN HA . 19268 1 1412 . 1 1 138 138 GLN HB2 H 1 2.079 0.020 . 1 . . . A 223 GLN HB2 . 19268 1 1413 . 1 1 138 138 GLN HB3 H 1 2.079 0.020 . 1 . . . A 223 GLN HB3 . 19268 1 1414 . 1 1 138 138 GLN HG2 H 1 2.470 0.020 . 2 . . . A 223 GLN HG2 . 19268 1 1415 . 1 1 138 138 GLN HG3 H 1 2.368 0.020 . 2 . . . A 223 GLN HG3 . 19268 1 1416 . 1 1 138 138 GLN HE21 H 1 7.424 0.020 . 2 . . . A 223 GLN HE21 . 19268 1 1417 . 1 1 138 138 GLN HE22 H 1 6.774 0.020 . 2 . . . A 223 GLN HE22 . 19268 1 1418 . 1 1 138 138 GLN CA C 13 58.114 0.300 . 1 . . . A 223 GLN CA . 19268 1 1419 . 1 1 138 138 GLN CB C 13 28.370 0.300 . 1 . . . A 223 GLN CB . 19268 1 1420 . 1 1 138 138 GLN CG C 13 34.113 0.300 . 1 . . . A 223 GLN CG . 19268 1 1421 . 1 1 138 138 GLN N N 15 120.369 0.300 . 1 . . . A 223 GLN N . 19268 1 1422 . 1 1 138 138 GLN NE2 N 15 111.818 0.300 . 1 . . . A 223 GLN NE2 . 19268 1 1423 . 1 1 139 139 ALA H H 1 7.505 0.020 . 1 . . . A 224 ALA H . 19268 1 1424 . 1 1 139 139 ALA HA H 1 4.152 0.020 . 1 . . . A 224 ALA HA . 19268 1 1425 . 1 1 139 139 ALA HB1 H 1 1.374 0.020 . 1 . . . A 224 ALA HB1 . 19268 1 1426 . 1 1 139 139 ALA HB2 H 1 1.374 0.020 . 1 . . . A 224 ALA HB2 . 19268 1 1427 . 1 1 139 139 ALA HB3 H 1 1.374 0.020 . 1 . . . A 224 ALA HB3 . 19268 1 1428 . 1 1 139 139 ALA CA C 13 54.154 0.300 . 1 . . . A 224 ALA CA . 19268 1 1429 . 1 1 139 139 ALA CB C 13 18.645 0.300 . 1 . . . A 224 ALA CB . 19268 1 1430 . 1 1 139 139 ALA N N 15 120.824 0.300 . 1 . . . A 224 ALA N . 19268 1 1431 . 1 1 140 140 TYR H H 1 7.990 0.020 . 1 . . . A 225 TYR H . 19268 1 1432 . 1 1 140 140 TYR HA H 1 4.172 0.020 . 1 . . . A 225 TYR HA . 19268 1 1433 . 1 1 140 140 TYR HB2 H 1 2.983 0.020 . 2 . . . A 225 TYR HB2 . 19268 1 1434 . 1 1 140 140 TYR HB3 H 1 2.796 0.020 . 2 . . . A 225 TYR HB3 . 19268 1 1435 . 1 1 140 140 TYR HD1 H 1 6.674 0.020 . 1 . . . A 225 TYR HD1 . 19268 1 1436 . 1 1 140 140 TYR HD2 H 1 6.674 0.020 . 1 . . . A 225 TYR HD2 . 19268 1 1437 . 1 1 140 140 TYR HE1 H 1 6.648 0.020 . 1 . . . A 225 TYR HE1 . 19268 1 1438 . 1 1 140 140 TYR HE2 H 1 6.648 0.020 . 1 . . . A 225 TYR HE2 . 19268 1 1439 . 1 1 140 140 TYR CA C 13 60.252 0.300 . 1 . . . A 225 TYR CA . 19268 1 1440 . 1 1 140 140 TYR CB C 13 38.994 0.300 . 1 . . . A 225 TYR CB . 19268 1 1441 . 1 1 140 140 TYR CD1 C 13 132.703 0.300 . 1 . . . A 225 TYR CD1 . 19268 1 1442 . 1 1 140 140 TYR CE1 C 13 117.576 0.300 . 1 . . . A 225 TYR CE1 . 19268 1 1443 . 1 1 140 140 TYR N N 15 119.164 0.300 . 1 . . . A 225 TYR N . 19268 1 1444 . 1 1 141 141 TYR H H 1 7.897 0.020 . 1 . . . A 226 TYR H . 19268 1 1445 . 1 1 141 141 TYR HA H 1 4.355 0.020 . 1 . . . A 226 TYR HA . 19268 1 1446 . 1 1 141 141 TYR HB2 H 1 3.121 0.020 . 2 . . . A 226 TYR HB2 . 19268 1 1447 . 1 1 141 141 TYR HB3 H 1 2.919 0.020 . 2 . . . A 226 TYR HB3 . 19268 1 1448 . 1 1 141 141 TYR HD1 H 1 7.163 0.020 . 1 . . . A 226 TYR HD1 . 19268 1 1449 . 1 1 141 141 TYR HD2 H 1 7.163 0.020 . 1 . . . A 226 TYR HD2 . 19268 1 1450 . 1 1 141 141 TYR HE1 H 1 6.825 0.020 . 1 . . . A 226 TYR HE1 . 19268 1 1451 . 1 1 141 141 TYR HE2 H 1 6.825 0.020 . 1 . . . A 226 TYR HE2 . 19268 1 1452 . 1 1 141 141 TYR CA C 13 59.120 0.300 . 1 . . . A 226 TYR CA . 19268 1 1453 . 1 1 141 141 TYR CB C 13 38.207 0.300 . 1 . . . A 226 TYR CB . 19268 1 1454 . 1 1 141 141 TYR CD1 C 13 132.916 0.300 . 1 . . . A 226 TYR CD1 . 19268 1 1455 . 1 1 141 141 TYR CE1 C 13 117.697 0.300 . 1 . . . A 226 TYR CE1 . 19268 1 1456 . 1 1 141 141 TYR N N 15 118.218 0.300 . 1 . . . A 226 TYR N . 19268 1 1457 . 1 1 142 142 GLN H H 1 7.847 0.020 . 1 . . . A 227 GLN H . 19268 1 1458 . 1 1 142 142 GLN HA H 1 4.213 0.020 . 1 . . . A 227 GLN HA . 19268 1 1459 . 1 1 142 142 GLN HB2 H 1 2.103 0.020 . 2 . . . A 227 GLN HB2 . 19268 1 1460 . 1 1 142 142 GLN HB3 H 1 2.020 0.020 . 2 . . . A 227 GLN HB3 . 19268 1 1461 . 1 1 142 142 GLN HG2 H 1 2.341 0.020 . 1 . . . A 227 GLN HG2 . 19268 1 1462 . 1 1 142 142 GLN HG3 H 1 2.341 0.020 . 1 . . . A 227 GLN HG3 . 19268 1 1463 . 1 1 142 142 GLN HE21 H 1 7.512 0.020 . 2 . . . A 227 GLN HE21 . 19268 1 1464 . 1 1 142 142 GLN HE22 H 1 6.797 0.020 . 2 . . . A 227 GLN HE22 . 19268 1 1465 . 1 1 142 142 GLN CA C 13 56.350 0.300 . 1 . . . A 227 GLN CA . 19268 1 1466 . 1 1 142 142 GLN CB C 13 28.912 0.300 . 1 . . . A 227 GLN CB . 19268 1 1467 . 1 1 142 142 GLN CG C 13 33.957 0.300 . 1 . . . A 227 GLN CG . 19268 1 1468 . 1 1 142 142 GLN N N 15 119.608 0.300 . 1 . . . A 227 GLN N . 19268 1 1469 . 1 1 142 142 GLN NE2 N 15 112.598 0.300 . 1 . . . A 227 GLN NE2 . 19268 1 1470 . 1 1 143 143 ARG H H 1 7.947 0.020 . 1 . . . A 228 ARG H . 19268 1 1471 . 1 1 143 143 ARG HA H 1 4.244 0.020 . 1 . . . A 228 ARG HA . 19268 1 1472 . 1 1 143 143 ARG HB2 H 1 1.812 0.020 . 2 . . . A 228 ARG HB2 . 19268 1 1473 . 1 1 143 143 ARG HB3 H 1 1.789 0.020 . 2 . . . A 228 ARG HB3 . 19268 1 1474 . 1 1 143 143 ARG HG2 H 1 1.654 0.020 . 2 . . . A 228 ARG HG2 . 19268 1 1475 . 1 1 143 143 ARG HG3 H 1 1.610 0.020 . 2 . . . A 228 ARG HG3 . 19268 1 1476 . 1 1 143 143 ARG HD2 H 1 3.131 0.020 . 1 . . . A 228 ARG HD2 . 19268 1 1477 . 1 1 143 143 ARG HD3 H 1 3.131 0.020 . 1 . . . A 228 ARG HD3 . 19268 1 1478 . 1 1 143 143 ARG HE H 1 7.127 0.020 . 1 . . . A 228 ARG HE . 19268 1 1479 . 1 1 143 143 ARG CA C 13 56.793 0.300 . 1 . . . A 228 ARG CA . 19268 1 1480 . 1 1 143 143 ARG CB C 13 30.731 0.300 . 1 . . . A 228 ARG CB . 19268 1 1481 . 1 1 143 143 ARG CG C 13 27.111 0.300 . 1 . . . A 228 ARG CG . 19268 1 1482 . 1 1 143 143 ARG CD C 13 43.559 0.300 . 1 . . . A 228 ARG CD . 19268 1 1483 . 1 1 143 143 ARG N N 15 120.799 0.300 . 1 . . . A 228 ARG N . 19268 1 1484 . 1 1 143 143 ARG NE N 15 84.810 0.300 . 1 . . . A 228 ARG NE . 19268 1 1485 . 1 1 144 144 GLY H H 1 8.244 0.020 . 1 . . . A 229 GLY H . 19268 1 1486 . 1 1 144 144 GLY HA2 H 1 3.960 0.020 . 1 . . . A 229 GLY HA2 . 19268 1 1487 . 1 1 144 144 GLY HA3 H 1 3.960 0.020 . 1 . . . A 229 GLY HA3 . 19268 1 1488 . 1 1 144 144 GLY CA C 13 45.296 0.300 . 1 . . . A 229 GLY CA . 19268 1 1489 . 1 1 144 144 GLY N N 15 109.550 0.300 . 1 . . . A 229 GLY N . 19268 1 1490 . 1 1 145 145 SER H H 1 8.117 0.020 . 1 . . . A 230 SER H . 19268 1 1491 . 1 1 145 145 SER HA H 1 4.471 0.020 . 1 . . . A 230 SER HA . 19268 1 1492 . 1 1 145 145 SER HB2 H 1 3.865 0.020 . 1 . . . A 230 SER HB2 . 19268 1 1493 . 1 1 145 145 SER HB3 H 1 3.865 0.020 . 1 . . . A 230 SER HB3 . 19268 1 1494 . 1 1 145 145 SER CA C 13 58.249 0.300 . 1 . . . A 230 SER CA . 19268 1 1495 . 1 1 145 145 SER CB C 13 64.256 0.300 . 1 . . . A 230 SER CB . 19268 1 1496 . 1 1 145 145 SER N N 15 115.760 0.300 . 1 . . . A 230 SER N . 19268 1 1497 . 1 1 146 146 SER H H 1 7.944 0.020 . 1 . . . A 231 SER H . 19268 1 1498 . 1 1 146 146 SER HA H 1 4.282 0.020 . 1 . . . A 231 SER HA . 19268 1 1499 . 1 1 146 146 SER HB2 H 1 3.843 0.020 . 1 . . . A 231 SER HB2 . 19268 1 1500 . 1 1 146 146 SER HB3 H 1 3.843 0.020 . 1 . . . A 231 SER HB3 . 19268 1 1501 . 1 1 146 146 SER CA C 13 60.050 0.300 . 1 . . . A 231 SER CA . 19268 1 1502 . 1 1 146 146 SER CB C 13 64.880 0.300 . 1 . . . A 231 SER CB . 19268 1 1503 . 1 1 146 146 SER N N 15 122.707 0.300 . 1 . . . A 231 SER N . 19268 1 stop_ save_