data_16743 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16743 _Entry.Title ; Three dimensional structure of HuPrP(90-231 M129 Q212P) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-23 _Entry.Accession_date 2010-02-23 _Entry.Last_release_date 2010-09-02 _Entry.Original_release_date 2010-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gregor Ilc . . . 16743 2 Gabriele Giachin . . . 16743 3 Mariusz Jaremko . . . 16743 4 Lukasz Jaremko . . . 16743 5 Igor Zhukov . . . 16743 6 Janez Plavec . . . 16743 7 Guiseppe Legname . . . 16743 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16743 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'mutant of human prion' . 16743 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16743 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 610 16743 '15N chemical shifts' 147 16743 '1H chemical shifts' 942 16743 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 . . 2010-09-02 2010-02-23 original author . 16743 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KUN 'BMRB Entry Tracking System' 16743 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16743 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20661422 _Citation.Full_citation . _Citation.Title 'NMR structure of the human prion protein with the pathological Q212P mutation reveals unique structural features' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue 7 _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 e11715 _Citation.Page_last e11715 _Citation.Year 2010 _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 Gregor Ilc . . . 16743 1 2 Gabriele Giachin . . . 16743 1 3 Mariusz Jaremko . . . 16743 1 4 Lukasz Jaremko . . . 16743 1 5 Federico Benetti . . . 16743 1 6 Janez Plavec . . . 16743 1 7 Igor Zhukov . . . 16743 1 8 Guiseppe Legname . . . 16743 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Gerstmann-Straussler-Scheinker syndrome' 16743 1 'human prion' 16743 1 'NMR spectroscopy' 16743 1 'protein structure' 16743 1 'spongiform encephalopathies' 16743 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16743 _Assembly.ID 1 _Assembly.Name 'HuPrP(90-231 M129 Q212P)' _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 'HuPrP(90-231 M129 Q212P)' 1 $entity A . yes native no no . . . 16743 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 90 90 SG . 1 . 1 CYS 125 125 SG . . . . . . . . . . 16743 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16743 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HuPrP(90-231 M129 Q212P)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GQGGGTHSQWNKPSKPKTNM KHMAGAAAAGAVVGGLGGYM LGSAMSRPIIHFGSDYEDRY YRENMHRYPNQVYYRPMDEY SNQNNFVHDCVNITIKQHTV TTTTKGENFTETDVKMMERV VEPMCITQYERESQAYYQRG SSHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'His-Tag6 on C-terminus' _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 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment HuPrP(90-231) _Entity.Mutation Q212P _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16966.982 _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 . . . . . 95.95 146 97.89 99.30 7.36e-99 . . . . 16743 1 2 no BMRB 16757 . PrP^(91-231) . . . . . 95.95 145 97.18 99.30 2.39e-98 . . . . 16743 1 3 no BMRB 17714 . HuPrP . . . . . 95.95 147 98.59 99.30 4.69e-100 . . . . 16743 1 4 no BMRB 17756 . hPrP(121-230) . . . . . 74.32 113 99.09 99.09 2.63e-74 . . . . 16743 1 5 no BMRB 17757 . hPrP(121-230) . . . . . 74.32 113 97.27 97.27 2.08e-71 . . . . 16743 1 6 no BMRB 17780 . Hpp_E219K . . . . . 95.95 142 98.59 99.30 6.42e-100 . . . . 16743 1 7 no BMRB 18426 . entity . . . . . 95.95 142 99.30 99.30 1.64e-100 . . . . 16743 1 8 no BMRB 18550 . V210I . . . . . 95.95 147 98.59 99.30 4.69e-100 . . . . 16743 1 9 no BMRB 19268 . MAJOR_PRION_PROTEIN . . . . . 95.95 146 98.59 99.30 1.11e-99 . . . . 16743 1 10 no BMRB 4379 . "human prion protein" . . . . . 75.68 112 98.21 99.11 1.33e-75 . . . . 16743 1 11 no BMRB 4402 . "human prion protein" . . . . . 95.27 210 99.29 99.29 4.42e-98 . . . . 16743 1 12 no BMRB 4434 . "human prion protein" . . . . . 95.27 143 99.29 99.29 7.57e-100 . . . . 16743 1 13 no BMRB 4620 . "prion protein" . . . . . 75.68 112 97.32 99.11 3.62e-75 . . . . 16743 1 14 no BMRB 4641 . "PRION PROTEIN" . . . . . 95.95 146 98.59 99.30 1.04e-99 . . . . 16743 1 15 no BMRB 4736 . "human prion protein" . . . . . 75.68 112 97.32 99.11 6.17e-75 . . . . 16743 1 16 no PDB 1E1G . "Human Prion Protein Variant M166v" . . . . . 69.59 104 98.06 99.03 1.43e-68 . . . . 16743 1 17 no PDB 1E1J . "Human Prion Protein Variant M166v" . . . . . 69.59 104 98.06 99.03 1.43e-68 . . . . 16743 1 18 no PDB 1E1P . "Human Prion Protein Variant S170n" . . . . . 69.59 104 98.06 99.03 1.41e-68 . . . . 16743 1 19 no PDB 1E1S . "Human Prion Protein Variant S170n" . . . . . 69.59 104 98.06 99.03 1.41e-68 . . . . 16743 1 20 no PDB 1E1U . "Human Prion Protein Variant R220k" . . . . . 69.59 104 98.06 99.03 8.36e-69 . . . . 16743 1 21 no PDB 1E1W . "Human Prion Protein Variant R220k" . . . . . 69.59 104 98.06 99.03 8.36e-69 . . . . 16743 1 22 no PDB 1FKC . "Human Prion Protein (Mutant E200k) Fragment 90-231" . . . . . 95.95 142 98.59 99.30 6.42e-100 . . . . 16743 1 23 no PDB 1FO7 . "Human Prion Protein Mutant E200k Fragment 90-231" . . . . . 95.95 142 98.59 99.30 6.42e-100 . . . . 16743 1 24 no PDB 1HJM . "Human Prion Protein At Ph 7.0" . . . . . 69.59 104 99.03 99.03 3.07e-69 . . . . 16743 1 25 no PDB 1HJN . "Human Prion Protein At Ph 7.0" . . . . . 69.59 104 99.03 99.03 3.07e-69 . . . . 16743 1 26 no PDB 1I4M . "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" . . . . . 72.97 108 99.07 99.07 4.60e-73 . . . . 16743 1 27 no PDB 1QLX . "Human Prion Protein" . . . . . 95.27 210 99.29 99.29 4.42e-98 . . . . 16743 1 28 no PDB 1QLZ . "Human Prion Protein" . . . . . 95.27 210 99.29 99.29 4.42e-98 . . . . 16743 1 29 no PDB 1QM0 . "Human Prion Protein Fragment 90-230" . . . . . 95.27 143 99.29 99.29 7.57e-100 . . . . 16743 1 30 no PDB 1QM1 . "Human Prion Protein Fragment 90-230" . . . . . 95.27 143 99.29 99.29 7.57e-100 . . . . 16743 1 31 no PDB 1QM2 . "Human Prion Protein Fragment 121-230" . . . . . 75.68 112 98.21 99.11 1.33e-75 . . . . 16743 1 32 no PDB 1QM3 . "Human Prion Protein Fragment 121-230" . . . . . 75.68 112 98.21 99.11 1.33e-75 . . . . 16743 1 33 no PDB 2K1D . "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" . . . . . 95.95 146 97.89 99.30 7.36e-99 . . . . 16743 1 34 no PDB 2KUN . "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" . . . . . 100.00 148 100.00 100.00 1.48e-106 . . . . 16743 1 35 no PDB 2LEJ . "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" . . . . . 95.95 147 98.59 99.30 4.69e-100 . . . . 16743 1 36 no PDB 2LFT . "Human Prion Protein With E219k Protective Polymorphism" . . . . . 95.95 142 98.59 99.30 6.42e-100 . . . . 16743 1 37 no PDB 2LSB . "Solution-State Nmr Structure Of The Human Prion Protein" . . . . . 95.95 142 99.30 99.30 1.64e-100 . . . . 16743 1 38 no PDB 2LV1 . "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" . . . . . 95.95 147 98.59 99.30 4.69e-100 . . . . 16743 1 39 no PDB 2M8T . "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" . . . . . 95.95 146 98.59 99.30 1.11e-99 . . . . 16743 1 40 no PDB 2W9E . "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" . . . . . 76.35 113 99.12 99.12 7.36e-77 . . . . 16743 1 41 no PDB 3HAF . "Human Prion Protein Variant V129 Domain Swapped Dimer" . . . . . 95.95 142 98.59 99.30 8.17e-100 . . . . 16743 1 42 no PDB 3HAK . "Human Prion Protein Variant V129" . . . . . 69.59 103 98.06 99.03 1.21e-68 . . . . 16743 1 43 no PDB 3HEQ . "Human Prion Protein Variant D178n With M129" . . . . . 95.95 142 98.59 99.30 9.83e-100 . . . . 16743 1 44 no PDB 3HER . "Human Prion Protein Variant F198s With V129" . . . . . 95.95 142 97.89 98.59 1.31e-98 . . . . 16743 1 45 no PDB 3HES . "Human Prion Protein Variant F198s With M129" . . . . . 95.95 142 98.59 98.59 3.61e-99 . . . . 16743 1 46 no PDB 3HJ5 . "Human Prion Protein Variant V129 Domain Swapped Dimer" . . . . . 95.95 142 98.59 99.30 8.17e-100 . . . . 16743 1 47 no PDB 3HJX . "Human Prion Protein Variant D178n With V129" . . . . . 71.62 106 97.17 99.06 5.23e-70 . . . . 16743 1 48 no PDB 4DGI . "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" . . . . . 75.00 111 99.10 99.10 2.42e-75 . . . . 16743 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" . . . . . 95.95 241 99.30 99.30 2.62e-98 . . . . 16743 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" . . . . . 95.95 142 99.30 99.30 1.64e-100 . . . . 16743 1 51 no DBJ BAA00011 . "prion protein [Homo sapiens]" . . . . . 95.95 245 98.59 98.59 9.23e-96 . . . . 16743 1 52 no DBJ BAF62360 . "prion protein, transcript variant 2 [Pan troglodytes verus]" . . . . . 95.95 253 97.89 99.30 6.84e-97 . . . . 16743 1 53 no DBJ BAG32276 . "prion [Homo sapiens]" . . . . . 95.95 253 99.30 99.30 4.84e-98 . . . . 16743 1 54 no DBJ BAG32277 . "prion [Homo sapiens]" . . . . . 95.95 253 98.59 99.30 1.95e-97 . . . . 16743 1 55 no DBJ BAG32278 . "alternatively spliced variant form of prion [Homo sapiens]" . . . . . 86.49 230 99.22 99.22 1.35e-87 . . . . 16743 1 56 no EMBL CAA58442 . "prion protein [Homo sapiens]" . . . . . 95.95 245 99.30 99.30 3.33e-98 . . . . 16743 1 57 no EMBL CAG46836 . "PRNP [Homo sapiens]" . . . . . 95.95 253 97.89 98.59 4.74e-95 . . . . 16743 1 58 no EMBL CAG46869 . "PRNP [Homo sapiens]" . . . . . 95.95 253 98.59 99.30 1.95e-97 . . . . 16743 1 59 no GB AAA19664 . "prion protein [Homo sapiens]" . . . . . 95.95 245 98.59 98.59 9.23e-96 . . . . 16743 1 60 no GB AAA60182 . "prion protein [Homo sapiens]" . . . . . 95.95 253 99.30 99.30 4.84e-98 . . . . 16743 1 61 no GB AAA68632 . "major prion protein precursor [Pan troglodytes]" . . . . . 95.95 253 97.89 99.30 6.84e-97 . . . . 16743 1 62 no GB AAA68633 . "major prion protein precursor [Gorilla gorilla]" . . . . . 95.95 253 98.59 99.30 1.02e-97 . . . . 16743 1 63 no GB AAB59442 . "prion protein, partial [Homo sapiens]" . . . . . 95.95 224 99.30 99.30 2.68e-98 . . . . 16743 1 64 no REF NP_000302 . "major prion protein preproprotein [Homo sapiens]" . . . . . 95.95 253 99.30 99.30 4.84e-98 . . . . 16743 1 65 no REF NP_001009093 . "major prion protein preproprotein [Pan troglodytes]" . . . . . 95.95 253 97.89 99.30 6.84e-97 . . . . 16743 1 66 no REF NP_001073590 . "major prion protein preproprotein [Homo sapiens]" . . . . . 95.95 253 99.30 99.30 4.84e-98 . . . . 16743 1 67 no REF NP_001073591 . "major prion protein preproprotein [Homo sapiens]" . . . . . 95.95 253 99.30 99.30 4.84e-98 . . . . 16743 1 68 no REF NP_001073592 . "major prion protein preproprotein [Homo sapiens]" . . . . . 95.95 253 99.30 99.30 4.84e-98 . . . . 16743 1 69 no SP P04156 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=ASCR; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_" . . . . . 95.95 253 99.30 99.30 4.84e-98 . . . . 16743 1 70 no SP P40252 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 95.95 253 98.59 99.30 1.49e-97 . . . . 16743 1 71 no SP P61766 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 95.95 253 97.89 99.30 6.84e-97 . . . . 16743 1 72 no SP P61767 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 95.95 253 97.89 99.30 6.84e-97 . . . . 16743 1 73 no SP P61768 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 95.95 253 97.89 99.30 6.84e-97 . . . . 16743 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 90 GLY . 16743 1 2 91 GLN . 16743 1 3 92 GLY . 16743 1 4 93 GLY . 16743 1 5 94 GLY . 16743 1 6 95 THR . 16743 1 7 96 HIS . 16743 1 8 97 SER . 16743 1 9 98 GLN . 16743 1 10 99 TRP . 16743 1 11 100 ASN . 16743 1 12 101 LYS . 16743 1 13 102 PRO . 16743 1 14 103 SER . 16743 1 15 104 LYS . 16743 1 16 105 PRO . 16743 1 17 106 LYS . 16743 1 18 107 THR . 16743 1 19 108 ASN . 16743 1 20 109 MET . 16743 1 21 110 LYS . 16743 1 22 111 HIS . 16743 1 23 112 MET . 16743 1 24 113 ALA . 16743 1 25 114 GLY . 16743 1 26 115 ALA . 16743 1 27 116 ALA . 16743 1 28 117 ALA . 16743 1 29 118 ALA . 16743 1 30 119 GLY . 16743 1 31 120 ALA . 16743 1 32 121 VAL . 16743 1 33 122 VAL . 16743 1 34 123 GLY . 16743 1 35 124 GLY . 16743 1 36 125 LEU . 16743 1 37 126 GLY . 16743 1 38 127 GLY . 16743 1 39 128 TYR . 16743 1 40 129 MET . 16743 1 41 130 LEU . 16743 1 42 131 GLY . 16743 1 43 132 SER . 16743 1 44 133 ALA . 16743 1 45 134 MET . 16743 1 46 135 SER . 16743 1 47 136 ARG . 16743 1 48 137 PRO . 16743 1 49 138 ILE . 16743 1 50 139 ILE . 16743 1 51 140 HIS . 16743 1 52 141 PHE . 16743 1 53 142 GLY . 16743 1 54 143 SER . 16743 1 55 144 ASP . 16743 1 56 145 TYR . 16743 1 57 146 GLU . 16743 1 58 147 ASP . 16743 1 59 148 ARG . 16743 1 60 149 TYR . 16743 1 61 150 TYR . 16743 1 62 151 ARG . 16743 1 63 152 GLU . 16743 1 64 153 ASN . 16743 1 65 154 MET . 16743 1 66 155 HIS . 16743 1 67 156 ARG . 16743 1 68 157 TYR . 16743 1 69 158 PRO . 16743 1 70 159 ASN . 16743 1 71 160 GLN . 16743 1 72 161 VAL . 16743 1 73 162 TYR . 16743 1 74 163 TYR . 16743 1 75 164 ARG . 16743 1 76 165 PRO . 16743 1 77 166 MET . 16743 1 78 167 ASP . 16743 1 79 168 GLU . 16743 1 80 169 TYR . 16743 1 81 170 SER . 16743 1 82 171 ASN . 16743 1 83 172 GLN . 16743 1 84 173 ASN . 16743 1 85 174 ASN . 16743 1 86 175 PHE . 16743 1 87 176 VAL . 16743 1 88 177 HIS . 16743 1 89 178 ASP . 16743 1 90 179 CYS . 16743 1 91 180 VAL . 16743 1 92 181 ASN . 16743 1 93 182 ILE . 16743 1 94 183 THR . 16743 1 95 184 ILE . 16743 1 96 185 LYS . 16743 1 97 186 GLN . 16743 1 98 187 HIS . 16743 1 99 188 THR . 16743 1 100 189 VAL . 16743 1 101 190 THR . 16743 1 102 191 THR . 16743 1 103 192 THR . 16743 1 104 193 THR . 16743 1 105 194 LYS . 16743 1 106 195 GLY . 16743 1 107 196 GLU . 16743 1 108 197 ASN . 16743 1 109 198 PHE . 16743 1 110 199 THR . 16743 1 111 200 GLU . 16743 1 112 201 THR . 16743 1 113 202 ASP . 16743 1 114 203 VAL . 16743 1 115 204 LYS . 16743 1 116 205 MET . 16743 1 117 206 MET . 16743 1 118 207 GLU . 16743 1 119 208 ARG . 16743 1 120 209 VAL . 16743 1 121 210 VAL . 16743 1 122 211 GLU . 16743 1 123 212 PRO . 16743 1 124 213 MET . 16743 1 125 214 CYS . 16743 1 126 215 ILE . 16743 1 127 216 THR . 16743 1 128 217 GLN . 16743 1 129 218 TYR . 16743 1 130 219 GLU . 16743 1 131 220 ARG . 16743 1 132 221 GLU . 16743 1 133 222 SER . 16743 1 134 223 GLN . 16743 1 135 224 ALA . 16743 1 136 225 TYR . 16743 1 137 226 TYR . 16743 1 138 227 GLN . 16743 1 139 228 ARG . 16743 1 140 229 GLY . 16743 1 141 230 SER . 16743 1 142 231 SER . 16743 1 143 232 HIS . 16743 1 144 233 HIS . 16743 1 145 234 HIS . 16743 1 146 235 HIS . 16743 1 147 236 HIS . 16743 1 148 237 HIS . 16743 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 16743 1 . GLN 2 2 16743 1 . GLY 3 3 16743 1 . GLY 4 4 16743 1 . GLY 5 5 16743 1 . THR 6 6 16743 1 . HIS 7 7 16743 1 . SER 8 8 16743 1 . GLN 9 9 16743 1 . TRP 10 10 16743 1 . ASN 11 11 16743 1 . LYS 12 12 16743 1 . PRO 13 13 16743 1 . SER 14 14 16743 1 . LYS 15 15 16743 1 . PRO 16 16 16743 1 . LYS 17 17 16743 1 . THR 18 18 16743 1 . ASN 19 19 16743 1 . MET 20 20 16743 1 . LYS 21 21 16743 1 . HIS 22 22 16743 1 . MET 23 23 16743 1 . ALA 24 24 16743 1 . GLY 25 25 16743 1 . ALA 26 26 16743 1 . ALA 27 27 16743 1 . ALA 28 28 16743 1 . ALA 29 29 16743 1 . GLY 30 30 16743 1 . ALA 31 31 16743 1 . VAL 32 32 16743 1 . VAL 33 33 16743 1 . GLY 34 34 16743 1 . GLY 35 35 16743 1 . LEU 36 36 16743 1 . GLY 37 37 16743 1 . GLY 38 38 16743 1 . TYR 39 39 16743 1 . MET 40 40 16743 1 . LEU 41 41 16743 1 . GLY 42 42 16743 1 . SER 43 43 16743 1 . ALA 44 44 16743 1 . MET 45 45 16743 1 . SER 46 46 16743 1 . ARG 47 47 16743 1 . PRO 48 48 16743 1 . ILE 49 49 16743 1 . ILE 50 50 16743 1 . HIS 51 51 16743 1 . PHE 52 52 16743 1 . GLY 53 53 16743 1 . SER 54 54 16743 1 . ASP 55 55 16743 1 . TYR 56 56 16743 1 . GLU 57 57 16743 1 . ASP 58 58 16743 1 . ARG 59 59 16743 1 . TYR 60 60 16743 1 . TYR 61 61 16743 1 . ARG 62 62 16743 1 . GLU 63 63 16743 1 . ASN 64 64 16743 1 . MET 65 65 16743 1 . HIS 66 66 16743 1 . ARG 67 67 16743 1 . TYR 68 68 16743 1 . PRO 69 69 16743 1 . ASN 70 70 16743 1 . GLN 71 71 16743 1 . VAL 72 72 16743 1 . TYR 73 73 16743 1 . TYR 74 74 16743 1 . ARG 75 75 16743 1 . PRO 76 76 16743 1 . MET 77 77 16743 1 . ASP 78 78 16743 1 . GLU 79 79 16743 1 . TYR 80 80 16743 1 . SER 81 81 16743 1 . ASN 82 82 16743 1 . GLN 83 83 16743 1 . ASN 84 84 16743 1 . ASN 85 85 16743 1 . PHE 86 86 16743 1 . VAL 87 87 16743 1 . HIS 88 88 16743 1 . ASP 89 89 16743 1 . CYS 90 90 16743 1 . VAL 91 91 16743 1 . ASN 92 92 16743 1 . ILE 93 93 16743 1 . THR 94 94 16743 1 . ILE 95 95 16743 1 . LYS 96 96 16743 1 . GLN 97 97 16743 1 . HIS 98 98 16743 1 . THR 99 99 16743 1 . VAL 100 100 16743 1 . THR 101 101 16743 1 . THR 102 102 16743 1 . THR 103 103 16743 1 . THR 104 104 16743 1 . LYS 105 105 16743 1 . GLY 106 106 16743 1 . GLU 107 107 16743 1 . ASN 108 108 16743 1 . PHE 109 109 16743 1 . THR 110 110 16743 1 . GLU 111 111 16743 1 . THR 112 112 16743 1 . ASP 113 113 16743 1 . VAL 114 114 16743 1 . LYS 115 115 16743 1 . MET 116 116 16743 1 . MET 117 117 16743 1 . GLU 118 118 16743 1 . ARG 119 119 16743 1 . VAL 120 120 16743 1 . VAL 121 121 16743 1 . GLU 122 122 16743 1 . PRO 123 123 16743 1 . MET 124 124 16743 1 . CYS 125 125 16743 1 . ILE 126 126 16743 1 . THR 127 127 16743 1 . GLN 128 128 16743 1 . TYR 129 129 16743 1 . GLU 130 130 16743 1 . ARG 131 131 16743 1 . GLU 132 132 16743 1 . SER 133 133 16743 1 . GLN 134 134 16743 1 . ALA 135 135 16743 1 . TYR 136 136 16743 1 . TYR 137 137 16743 1 . GLN 138 138 16743 1 . ARG 139 139 16743 1 . GLY 140 140 16743 1 . SER 141 141 16743 1 . SER 142 142 16743 1 . HIS 143 143 16743 1 . HIS 144 144 16743 1 . HIS 145 145 16743 1 . HIS 146 146 16743 1 . HIS 147 147 16743 1 . HIS 148 148 16743 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 16743 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16743 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 16743 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-11a . . . . . . 16743 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16743 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PrP(Q212P) '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.0 . . mM . . . . 16743 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16743 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16743 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16743 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16743 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PrP(Q212P) '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.0 . . mM . . . . 16743 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16743 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16743 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 16743 _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' 150 . mM 16743 1 pH 5.5 . pH 16743 1 pressure 1 . atm 16743 1 temperature 298 . K 16743 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 16743 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 16743 2 pH 5.1 . pH 16743 2 pressure 1 . atm 16743 2 temperature 298 . K 16743 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16743 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16743 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16743 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16743 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16743 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16743 2 'data analysis' 16743 2 'peak picking' 16743 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16743 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16743 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16743 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16743 _Software.ID 4 _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' . . 16743 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16743 4 'structure solution' 16743 4 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16743 _Software.ID 5 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16743 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16743 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16743 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16743 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 16743 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Uniform NMR System' . 800 . . . 16743 1 2 spectrometer_2 Varian 'Uniform NMR System' . 700 . . . 16743 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 16743 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16743 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16743 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16743 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16743 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16743 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16743 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16743 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16743 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16743 1 10 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16743 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 16743 _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 . . . . . . . . . 16743 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16743 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16743 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 16743 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16743 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 3.958 0.020 . 2 . . . . 90 GLY HA2 . 16743 1 2 . 1 1 1 1 GLY HA3 H 1 3.960 0.020 . 2 . . . . 90 GLY HA3 . 16743 1 3 . 1 1 1 1 GLY C C 13 174.559 0.300 . 1 . . . . 90 GLY C . 16743 1 4 . 1 1 1 1 GLY CA C 13 45.103 0.300 . 1 . . . . 90 GLY CA . 16743 1 5 . 1 1 2 2 GLN H H 1 8.391 0.020 . 1 . . . . 91 GLN H . 16743 1 6 . 1 1 2 2 GLN HA H 1 4.367 0.020 . 1 . . . . 91 GLN HA . 16743 1 7 . 1 1 2 2 GLN HB2 H 1 2.024 0.020 . 2 . . . . 91 GLN HB2 . 16743 1 8 . 1 1 2 2 GLN HB3 H 1 2.087 0.020 . 2 . . . . 91 GLN HB3 . 16743 1 9 . 1 1 2 2 GLN HG2 H 1 2.325 0.020 . 2 . . . . 91 GLN HG2 . 16743 1 10 . 1 1 2 2 GLN HG3 H 1 2.330 0.020 . 2 . . . . 91 GLN HG3 . 16743 1 11 . 1 1 2 2 GLN C C 13 176.521 0.300 . 1 . . . . 91 GLN C . 16743 1 12 . 1 1 2 2 GLN CA C 13 56.068 0.300 . 1 . . . . 91 GLN CA . 16743 1 13 . 1 1 2 2 GLN CB C 13 29.169 0.300 . 1 . . . . 91 GLN CB . 16743 1 14 . 1 1 2 2 GLN CG C 13 33.722 0.300 . 1 . . . . 91 GLN CG . 16743 1 15 . 1 1 2 2 GLN N N 15 119.894 0.300 . 1 . . . . 91 GLN N . 16743 1 16 . 1 1 3 3 GLY H H 1 8.639 0.020 . 1 . . . . 92 GLY H . 16743 1 17 . 1 1 3 3 GLY HA2 H 1 3.959 0.020 . 1 . . . . 92 GLY HA2 . 16743 1 18 . 1 1 3 3 GLY HA3 H 1 3.959 0.020 . 1 . . . . 92 GLY HA3 . 16743 1 19 . 1 1 3 3 GLY C C 13 174.747 0.300 . 1 . . . . 92 GLY C . 16743 1 20 . 1 1 3 3 GLY CA C 13 45.357 0.300 . 1 . . . . 92 GLY CA . 16743 1 21 . 1 1 3 3 GLY N N 15 110.841 0.300 . 1 . . . . 92 GLY N . 16743 1 22 . 1 1 4 4 GLY H H 1 8.372 0.020 . 1 . . . . 93 GLY H . 16743 1 23 . 1 1 4 4 GLY HA2 H 1 3.900 0.020 . 2 . . . . 93 GLY HA2 . 16743 1 24 . 1 1 4 4 GLY HA3 H 1 4.018 0.020 . 2 . . . . 93 GLY HA3 . 16743 1 25 . 1 1 4 4 GLY C C 13 174.761 0.300 . 1 . . . . 93 GLY C . 16743 1 26 . 1 1 4 4 GLY CA C 13 45.243 0.300 . 1 . . . . 93 GLY CA . 16743 1 27 . 1 1 4 4 GLY N N 15 108.861 0.300 . 1 . . . . 93 GLY N . 16743 1 28 . 1 1 5 5 GLY H H 1 8.369 0.020 . 1 . . . . 94 GLY H . 16743 1 29 . 1 1 5 5 GLY HA2 H 1 3.950 0.020 . 2 . . . . 94 GLY HA2 . 16743 1 30 . 1 1 5 5 GLY HA3 H 1 3.900 0.020 . 2 . . . . 94 GLY HA3 . 16743 1 31 . 1 1 5 5 GLY C C 13 174.574 0.300 . 1 . . . . 94 GLY C . 16743 1 32 . 1 1 5 5 GLY CA C 13 45.213 0.300 . 1 . . . . 94 GLY CA . 16743 1 33 . 1 1 5 5 GLY N N 15 108.912 0.300 . 1 . . . . 94 GLY N . 16743 1 34 . 1 1 6 6 THR H H 1 8.140 0.020 . 1 . . . . 95 THR H . 16743 1 35 . 1 1 6 6 THR HA H 1 4.241 0.020 . 1 . . . . 95 THR HA . 16743 1 36 . 1 1 6 6 THR HB H 1 4.120 0.020 . 1 . . . . 95 THR HB . 16743 1 37 . 1 1 6 6 THR HG21 H 1 1.101 0.020 . 1 . . . . 95 THR HG2 . 16743 1 38 . 1 1 6 6 THR HG22 H 1 1.101 0.020 . 1 . . . . 95 THR HG2 . 16743 1 39 . 1 1 6 6 THR HG23 H 1 1.101 0.020 . 1 . . . . 95 THR HG2 . 16743 1 40 . 1 1 6 6 THR C C 13 174.700 0.300 . 1 . . . . 95 THR C . 16743 1 41 . 1 1 6 6 THR CA C 13 61.987 0.300 . 1 . . . . 95 THR CA . 16743 1 42 . 1 1 6 6 THR CB C 13 69.661 0.300 . 1 . . . . 95 THR CB . 16743 1 43 . 1 1 6 6 THR CG2 C 13 21.477 0.300 . 1 . . . . 95 THR CG2 . 16743 1 44 . 1 1 6 6 THR N N 15 113.524 0.300 . 1 . . . . 95 THR N . 16743 1 45 . 1 1 7 7 HIS H H 1 8.527 0.020 . 1 . . . . 96 HIS H . 16743 1 46 . 1 1 7 7 HIS HA H 1 4.634 0.020 . 1 . . . . 96 HIS HA . 16743 1 47 . 1 1 7 7 HIS HB2 H 1 3.150 0.020 . 2 . . . . 96 HIS HB2 . 16743 1 48 . 1 1 7 7 HIS HB3 H 1 3.147 0.020 . 2 . . . . 96 HIS HB3 . 16743 1 49 . 1 1 7 7 HIS HD2 H 1 7.163 0.020 . 1 . . . . 96 HIS HD2 . 16743 1 50 . 1 1 7 7 HIS C C 13 174.794 0.300 . 1 . . . . 96 HIS C . 16743 1 51 . 1 1 7 7 HIS CA C 13 55.724 0.300 . 1 . . . . 96 HIS CA . 16743 1 52 . 1 1 7 7 HIS CB C 13 29.520 0.300 . 1 . . . . 96 HIS CB . 16743 1 53 . 1 1 7 7 HIS CD2 C 13 119.924 0.300 . 1 . . . . 96 HIS CD2 . 16743 1 54 . 1 1 7 7 HIS N N 15 120.945 0.300 . 1 . . . . 96 HIS N . 16743 1 55 . 1 1 8 8 SER H H 1 8.294 0.020 . 1 . . . . 97 SER H . 16743 1 56 . 1 1 8 8 SER HA H 1 4.390 0.020 . 1 . . . . 97 SER HA . 16743 1 57 . 1 1 8 8 SER HB2 H 1 3.708 0.020 . 2 . . . . 97 SER HB2 . 16743 1 58 . 1 1 8 8 SER HB3 H 1 3.758 0.020 . 2 . . . . 97 SER HB3 . 16743 1 59 . 1 1 8 8 SER C C 13 174.559 0.300 . 1 . . . . 97 SER C . 16743 1 60 . 1 1 8 8 SER CA C 13 58.525 0.300 . 1 . . . . 97 SER CA . 16743 1 61 . 1 1 8 8 SER CB C 13 63.616 0.300 . 1 . . . . 97 SER CB . 16743 1 62 . 1 1 8 8 SER N N 15 117.012 0.300 . 1 . . . . 97 SER N . 16743 1 63 . 1 1 9 9 GLN H H 1 8.472 0.020 . 1 . . . . 98 GLN H . 16743 1 64 . 1 1 9 9 GLN HA H 1 4.229 0.020 . 1 . . . . 98 GLN HA . 16743 1 65 . 1 1 9 9 GLN HB2 H 1 1.818 0.020 . 2 . . . . 98 GLN HB2 . 16743 1 66 . 1 1 9 9 GLN HB3 H 1 1.908 0.020 . 2 . . . . 98 GLN HB3 . 16743 1 67 . 1 1 9 9 GLN HG2 H 1 2.099 0.020 . 1 . . . . 98 GLN HG2 . 16743 1 68 . 1 1 9 9 GLN HG3 H 1 2.099 0.020 . 1 . . . . 98 GLN HG3 . 16743 1 69 . 1 1 9 9 GLN C C 13 175.658 0.300 . 1 . . . . 98 GLN C . 16743 1 70 . 1 1 9 9 GLN CA C 13 56.076 0.300 . 1 . . . . 98 GLN CA . 16743 1 71 . 1 1 9 9 GLN CB C 13 29.169 0.300 . 1 . . . . 98 GLN CB . 16743 1 72 . 1 1 9 9 GLN CG C 13 33.503 0.300 . 1 . . . . 98 GLN CG . 16743 1 73 . 1 1 9 9 GLN N N 15 122.044 0.300 . 1 . . . . 98 GLN N . 16743 1 74 . 1 1 10 10 TRP H H 1 8.100 0.020 . 1 . . . . 99 TRP H . 16743 1 75 . 1 1 10 10 TRP HA H 1 4.631 0.020 . 1 . . . . 99 TRP HA . 16743 1 76 . 1 1 10 10 TRP HB2 H 1 3.155 0.020 . 2 . . . . 99 TRP HB2 . 16743 1 77 . 1 1 10 10 TRP HB3 H 1 3.262 0.020 . 2 . . . . 99 TRP HB3 . 16743 1 78 . 1 1 10 10 TRP HD1 H 1 7.244 0.020 . 1 . . . . 99 TRP HD1 . 16743 1 79 . 1 1 10 10 TRP HE1 H 1 10.120 0.020 . 1 . . . . 99 TRP HE1 . 16743 1 80 . 1 1 10 10 TRP HE3 H 1 7.608 0.020 . 1 . . . . 99 TRP HE3 . 16743 1 81 . 1 1 10 10 TRP HH2 H 1 7.218 0.020 . 1 . . . . 99 TRP HH2 . 16743 1 82 . 1 1 10 10 TRP HZ2 H 1 7.464 0.020 . 1 . . . . 99 TRP HZ2 . 16743 1 83 . 1 1 10 10 TRP HZ3 H 1 7.131 0.020 . 1 . . . . 99 TRP HZ3 . 16743 1 84 . 1 1 10 10 TRP C C 13 175.752 0.300 . 1 . . . . 99 TRP C . 16743 1 85 . 1 1 10 10 TRP CA C 13 57.124 0.300 . 1 . . . . 99 TRP CA . 16743 1 86 . 1 1 10 10 TRP CB C 13 29.466 0.300 . 1 . . . . 99 TRP CB . 16743 1 87 . 1 1 10 10 TRP CD1 C 13 126.860 0.300 . 1 . . . . 99 TRP CD1 . 16743 1 88 . 1 1 10 10 TRP CE3 C 13 120.829 0.300 . 1 . . . . 99 TRP CE3 . 16743 1 89 . 1 1 10 10 TRP CH2 C 13 124.575 0.300 . 1 . . . . 99 TRP CH2 . 16743 1 90 . 1 1 10 10 TRP CZ2 C 13 114.493 0.300 . 1 . . . . 99 TRP CZ2 . 16743 1 91 . 1 1 10 10 TRP CZ3 C 13 121.967 0.300 . 1 . . . . 99 TRP CZ3 . 16743 1 92 . 1 1 10 10 TRP N N 15 121.625 0.300 . 1 . . . . 99 TRP N . 16743 1 93 . 1 1 10 10 TRP NE1 N 15 129.334 0.300 . 1 . . . . 99 TRP NE1 . 16743 1 94 . 1 1 11 11 ASN H H 1 8.109 0.020 . 1 . . . . 100 ASN H . 16743 1 95 . 1 1 11 11 ASN HA H 1 4.564 0.020 . 1 . . . . 100 ASN HA . 16743 1 96 . 1 1 11 11 ASN HB2 H 1 2.485 0.020 . 2 . . . . 100 ASN HB2 . 16743 1 97 . 1 1 11 11 ASN HB3 H 1 2.514 0.020 . 2 . . . . 100 ASN HB3 . 16743 1 98 . 1 1 11 11 ASN C C 13 174.229 0.300 . 1 . . . . 100 ASN C . 16743 1 99 . 1 1 11 11 ASN CA C 13 52.722 0.300 . 1 . . . . 100 ASN CA . 16743 1 100 . 1 1 11 11 ASN CB C 13 38.797 0.300 . 1 . . . . 100 ASN CB . 16743 1 101 . 1 1 11 11 ASN N N 15 120.594 0.300 . 1 . . . . 100 ASN N . 16743 1 102 . 1 1 12 12 LYS H H 1 7.989 0.020 . 1 . . . . 101 LYS H . 16743 1 103 . 1 1 12 12 LYS HA H 1 4.405 0.020 . 1 . . . . 101 LYS HA . 16743 1 104 . 1 1 12 12 LYS HB2 H 1 1.668 0.020 . 2 . . . . 101 LYS HB2 . 16743 1 105 . 1 1 12 12 LYS HB3 H 1 1.723 0.020 . 2 . . . . 101 LYS HB3 . 16743 1 106 . 1 1 12 12 LYS HD2 H 1 1.641 0.020 . 2 . . . . 101 LYS HD2 . 16743 1 107 . 1 1 12 12 LYS HD3 H 1 1.643 0.020 . 2 . . . . 101 LYS HD3 . 16743 1 108 . 1 1 12 12 LYS HE2 H 1 2.874 0.020 . 1 . . . . 101 LYS HE2 . 16743 1 109 . 1 1 12 12 LYS HE3 H 1 2.874 0.020 . 1 . . . . 101 LYS HE3 . 16743 1 110 . 1 1 12 12 LYS HG2 H 1 1.328 0.020 . 1 . . . . 101 LYS HG2 . 16743 1 111 . 1 1 12 12 LYS HG3 H 1 1.328 0.020 . 1 . . . . 101 LYS HG3 . 16743 1 112 . 1 1 12 12 LYS CA C 13 54.181 0.300 . 1 . . . . 101 LYS CA . 16743 1 113 . 1 1 12 12 LYS CB C 13 32.615 0.300 . 1 . . . . 101 LYS CB . 16743 1 114 . 1 1 12 12 LYS CD C 13 29.100 0.300 . 1 . . . . 101 LYS CD . 16743 1 115 . 1 1 12 12 LYS CE C 13 41.828 0.300 . 1 . . . . 101 LYS CE . 16743 1 116 . 1 1 12 12 LYS CG C 13 24.552 0.300 . 1 . . . . 101 LYS CG . 16743 1 117 . 1 1 12 12 LYS N N 15 122.623 0.300 . 1 . . . . 101 LYS N . 16743 1 118 . 1 1 13 13 PRO HA H 1 4.391 0.020 . 1 . . . . 102 PRO HA . 16743 1 119 . 1 1 13 13 PRO HB2 H 1 1.855 0.020 . 2 . . . . 102 PRO HB2 . 16743 1 120 . 1 1 13 13 PRO HB3 H 1 2.250 0.020 . 2 . . . . 102 PRO HB3 . 16743 1 121 . 1 1 13 13 PRO HD2 H 1 3.584 0.020 . 2 . . . . 102 PRO HD2 . 16743 1 122 . 1 1 13 13 PRO HD3 H 1 3.730 0.020 . 2 . . . . 102 PRO HD3 . 16743 1 123 . 1 1 13 13 PRO HG2 H 1 1.970 0.020 . 1 . . . . 102 PRO HG2 . 16743 1 124 . 1 1 13 13 PRO HG3 H 1 1.970 0.020 . 1 . . . . 102 PRO HG3 . 16743 1 125 . 1 1 13 13 PRO C C 13 176.914 0.300 . 1 . . . . 102 PRO C . 16743 1 126 . 1 1 13 13 PRO CA C 13 63.104 0.300 . 1 . . . . 102 PRO CA . 16743 1 127 . 1 1 13 13 PRO CB C 13 32.206 0.300 . 1 . . . . 102 PRO CB . 16743 1 128 . 1 1 13 13 PRO CD C 13 50.706 0.300 . 1 . . . . 102 PRO CD . 16743 1 129 . 1 1 13 13 PRO CG C 13 27.394 0.300 . 1 . . . . 102 PRO CG . 16743 1 130 . 1 1 14 14 SER H H 1 8.425 0.020 . 1 . . . . 103 SER H . 16743 1 131 . 1 1 14 14 SER HA H 1 4.388 0.020 . 1 . . . . 103 SER HA . 16743 1 132 . 1 1 14 14 SER HB2 H 1 3.790 0.020 . 2 . . . . 103 SER HB2 . 16743 1 133 . 1 1 14 14 SER HB3 H 1 3.832 0.020 . 2 . . . . 103 SER HB3 . 16743 1 134 . 1 1 14 14 SER C C 13 174.135 0.300 . 1 . . . . 103 SER C . 16743 1 135 . 1 1 14 14 SER CA C 13 58.065 0.300 . 1 . . . . 103 SER CA . 16743 1 136 . 1 1 14 14 SER CB C 13 63.993 0.300 . 1 . . . . 103 SER CB . 16743 1 137 . 1 1 14 14 SER N N 15 116.836 0.300 . 1 . . . . 103 SER N . 16743 1 138 . 1 1 15 15 LYS H H 1 8.332 0.020 . 1 . . . . 104 LYS H . 16743 1 139 . 1 1 15 15 LYS HA H 1 4.581 0.020 . 1 . . . . 104 LYS HA . 16743 1 140 . 1 1 15 15 LYS HB2 H 1 1.834 0.020 . 2 . . . . 104 LYS HB2 . 16743 1 141 . 1 1 15 15 LYS HB3 H 1 1.969 0.020 . 2 . . . . 104 LYS HB3 . 16743 1 142 . 1 1 15 15 LYS HD2 H 1 1.633 0.020 . 1 . . . . 104 LYS HD2 . 16743 1 143 . 1 1 15 15 LYS HD3 H 1 1.633 0.020 . 1 . . . . 104 LYS HD3 . 16743 1 144 . 1 1 15 15 LYS HE2 H 1 2.898 0.020 . 2 . . . . 104 LYS HE2 . 16743 1 145 . 1 1 15 15 LYS HE3 H 1 2.910 0.020 . 2 . . . . 104 LYS HE3 . 16743 1 146 . 1 1 15 15 LYS HG2 H 1 1.446 0.020 . 2 . . . . 104 LYS HG2 . 16743 1 147 . 1 1 15 15 LYS HG3 H 1 1.456 0.020 . 2 . . . . 104 LYS HG3 . 16743 1 148 . 1 1 15 15 LYS CA C 13 54.205 0.300 . 1 . . . . 104 LYS CA . 16743 1 149 . 1 1 15 15 LYS CB C 13 32.604 0.300 . 1 . . . . 104 LYS CB . 16743 1 150 . 1 1 15 15 LYS CD C 13 29.039 0.300 . 1 . . . . 104 LYS CD . 16743 1 151 . 1 1 15 15 LYS CE C 13 41.900 0.300 . 1 . . . . 104 LYS CE . 16743 1 152 . 1 1 15 15 LYS CG C 13 24.913 0.300 . 1 . . . . 104 LYS CG . 16743 1 153 . 1 1 15 15 LYS N N 15 124.198 0.300 . 1 . . . . 104 LYS N . 16743 1 154 . 1 1 16 16 PRO HA H 1 4.371 0.020 . 1 . . . . 105 PRO HA . 16743 1 155 . 1 1 16 16 PRO HB2 H 1 1.873 0.020 . 2 . . . . 105 PRO HB2 . 16743 1 156 . 1 1 16 16 PRO HB3 H 1 2.258 0.020 . 2 . . . . 105 PRO HB3 . 16743 1 157 . 1 1 16 16 PRO HD2 H 1 3.781 0.020 . 2 . . . . 105 PRO HD2 . 16743 1 158 . 1 1 16 16 PRO HD3 H 1 3.588 0.020 . 2 . . . . 105 PRO HD3 . 16743 1 159 . 1 1 16 16 PRO HG2 H 1 1.961 0.020 . 2 . . . . 105 PRO HG2 . 16743 1 160 . 1 1 16 16 PRO HG3 H 1 1.970 0.020 . 2 . . . . 105 PRO HG3 . 16743 1 161 . 1 1 16 16 PRO C C 13 176.851 0.300 . 1 . . . . 105 PRO C . 16743 1 162 . 1 1 16 16 PRO CA C 13 63.061 0.300 . 1 . . . . 105 PRO CA . 16743 1 163 . 1 1 16 16 PRO CB C 13 32.159 0.300 . 1 . . . . 105 PRO CB . 16743 1 164 . 1 1 16 16 PRO CD C 13 50.729 0.300 . 1 . . . . 105 PRO CD . 16743 1 165 . 1 1 16 16 PRO CG C 13 27.584 0.300 . 1 . . . . 105 PRO CG . 16743 1 166 . 1 1 17 17 LYS H H 1 8.522 0.020 . 1 . . . . 106 LYS H . 16743 1 167 . 1 1 17 17 LYS HA H 1 4.297 0.020 . 1 . . . . 106 LYS HA . 16743 1 168 . 1 1 17 17 LYS HB2 H 1 1.819 0.020 . 1 . . . . 106 LYS HB2 . 16743 1 169 . 1 1 17 17 LYS HB3 H 1 1.819 0.020 . 1 . . . . 106 LYS HB3 . 16743 1 170 . 1 1 17 17 LYS HD2 H 1 1.625 0.020 . 2 . . . . 106 LYS HD2 . 16743 1 171 . 1 1 17 17 LYS HD3 H 1 1.647 0.020 . 2 . . . . 106 LYS HD3 . 16743 1 172 . 1 1 17 17 LYS HE2 H 1 2.928 0.020 . 2 . . . . 106 LYS HE2 . 16743 1 173 . 1 1 17 17 LYS HE3 H 1 2.957 0.020 . 2 . . . . 106 LYS HE3 . 16743 1 174 . 1 1 17 17 LYS HG2 H 1 1.436 0.020 . 2 . . . . 106 LYS HG2 . 16743 1 175 . 1 1 17 17 LYS HG3 H 1 1.460 0.020 . 2 . . . . 106 LYS HG3 . 16743 1 176 . 1 1 17 17 LYS C C 13 176.867 0.300 . 1 . . . . 106 LYS C . 16743 1 177 . 1 1 17 17 LYS CA C 13 56.375 0.300 . 1 . . . . 106 LYS CA . 16743 1 178 . 1 1 17 17 LYS CB C 13 32.971 0.300 . 1 . . . . 106 LYS CB . 16743 1 179 . 1 1 17 17 LYS CD C 13 28.993 0.300 . 1 . . . . 106 LYS CD . 16743 1 180 . 1 1 17 17 LYS CE C 13 42.026 0.300 . 1 . . . . 106 LYS CE . 16743 1 181 . 1 1 17 17 LYS CG C 13 24.733 0.300 . 1 . . . . 106 LYS CG . 16743 1 182 . 1 1 17 17 LYS N N 15 122.045 0.300 . 1 . . . . 106 LYS N . 16743 1 183 . 1 1 18 18 THR H H 1 8.149 0.020 . 1 . . . . 107 THR H . 16743 1 184 . 1 1 18 18 THR HA H 1 4.284 0.020 . 1 . . . . 107 THR HA . 16743 1 185 . 1 1 18 18 THR HB H 1 4.126 0.020 . 1 . . . . 107 THR HB . 16743 1 186 . 1 1 18 18 THR HG21 H 1 1.140 0.020 . 1 . . . . 107 THR HG2 . 16743 1 187 . 1 1 18 18 THR HG22 H 1 1.140 0.020 . 1 . . . . 107 THR HG2 . 16743 1 188 . 1 1 18 18 THR HG23 H 1 1.140 0.020 . 1 . . . . 107 THR HG2 . 16743 1 189 . 1 1 18 18 THR C C 13 173.988 0.300 . 1 . . . . 107 THR C . 16743 1 190 . 1 1 18 18 THR CA C 13 61.582 0.300 . 1 . . . . 107 THR CA . 16743 1 191 . 1 1 18 18 THR CB C 13 69.855 0.300 . 1 . . . . 107 THR CB . 16743 1 192 . 1 1 18 18 THR CG2 C 13 21.556 0.300 . 1 . . . . 107 THR CG2 . 16743 1 193 . 1 1 18 18 THR N N 15 115.231 0.300 . 1 . . . . 107 THR N . 16743 1 194 . 1 1 19 19 ASN H H 1 8.541 0.020 . 1 . . . . 108 ASN H . 16743 1 195 . 1 1 19 19 ASN HA H 1 4.673 0.020 . 1 . . . . 108 ASN HA . 16743 1 196 . 1 1 19 19 ASN HB2 H 1 2.719 0.020 . 2 . . . . 108 ASN HB2 . 16743 1 197 . 1 1 19 19 ASN HB3 H 1 2.788 0.020 . 2 . . . . 108 ASN HB3 . 16743 1 198 . 1 1 19 19 ASN HD21 H 1 7.603 0.020 . 1 . . . . 108 ASN HD21 . 16743 1 199 . 1 1 19 19 ASN HD22 H 1 6.910 0.020 . 1 . . . . 108 ASN HD22 . 16743 1 200 . 1 1 19 19 ASN C C 13 175.108 0.300 . 1 . . . . 108 ASN C . 16743 1 201 . 1 1 19 19 ASN CA C 13 53.071 0.300 . 1 . . . . 108 ASN CA . 16743 1 202 . 1 1 19 19 ASN CB C 13 38.770 0.300 . 1 . . . . 108 ASN CB . 16743 1 203 . 1 1 19 19 ASN N N 15 121.306 0.300 . 1 . . . . 108 ASN N . 16743 1 204 . 1 1 19 19 ASN ND2 N 15 112.371 0.300 . 1 . . . . 108 ASN ND2 . 16743 1 205 . 1 1 20 20 MET H H 1 8.353 0.020 . 1 . . . . 109 MET H . 16743 1 206 . 1 1 20 20 MET HA H 1 4.407 0.020 . 1 . . . . 109 MET HA . 16743 1 207 . 1 1 20 20 MET HB2 H 1 1.912 0.020 . 2 . . . . 109 MET HB2 . 16743 1 208 . 1 1 20 20 MET HB3 H 1 2.015 0.020 . 2 . . . . 109 MET HB3 . 16743 1 209 . 1 1 20 20 MET HE1 H 1 2.037 0.020 . 1 . . . . 109 MET HE . 16743 1 210 . 1 1 20 20 MET HE2 H 1 2.037 0.020 . 1 . . . . 109 MET HE . 16743 1 211 . 1 1 20 20 MET HE3 H 1 2.037 0.020 . 1 . . . . 109 MET HE . 16743 1 212 . 1 1 20 20 MET HG2 H 1 2.496 0.020 . 2 . . . . 109 MET HG2 . 16743 1 213 . 1 1 20 20 MET HG3 H 1 2.496 0.020 . 2 . . . . 109 MET HG3 . 16743 1 214 . 1 1 20 20 MET C C 13 176.176 0.300 . 1 . . . . 109 MET C . 16743 1 215 . 1 1 20 20 MET CA C 13 55.519 0.300 . 1 . . . . 109 MET CA . 16743 1 216 . 1 1 20 20 MET CB C 13 32.764 0.300 . 1 . . . . 109 MET CB . 16743 1 217 . 1 1 20 20 MET CE C 13 16.989 0.300 . 1 . . . . 109 MET CE . 16743 1 218 . 1 1 20 20 MET CG C 13 31.933 0.300 . 1 . . . . 109 MET CG . 16743 1 219 . 1 1 20 20 MET N N 15 121.240 0.300 . 1 . . . . 109 MET N . 16743 1 220 . 1 1 21 21 LYS H H 1 8.309 0.020 . 1 . . . . 110 LYS H . 16743 1 221 . 1 1 21 21 LYS HA H 1 4.191 0.020 . 1 . . . . 110 LYS HA . 16743 1 222 . 1 1 21 21 LYS HB2 H 1 1.683 0.020 . 2 . . . . 110 LYS HB2 . 16743 1 223 . 1 1 21 21 LYS HB3 H 1 1.707 0.020 . 2 . . . . 110 LYS HB3 . 16743 1 224 . 1 1 21 21 LYS HD2 H 1 1.571 0.020 . 2 . . . . 110 LYS HD2 . 16743 1 225 . 1 1 21 21 LYS HD3 H 1 1.583 0.020 . 2 . . . . 110 LYS HD3 . 16743 1 226 . 1 1 21 21 LYS HE2 H 1 2.888 0.020 . 1 . . . . 110 LYS HE2 . 16743 1 227 . 1 1 21 21 LYS HE3 H 1 2.888 0.020 . 1 . . . . 110 LYS HE3 . 16743 1 228 . 1 1 21 21 LYS HG2 H 1 1.332 0.020 . 2 . . . . 110 LYS HG2 . 16743 1 229 . 1 1 21 21 LYS HG3 H 1 1.343 0.020 . 2 . . . . 110 LYS HG3 . 16743 1 230 . 1 1 21 21 LYS C C 13 176.286 0.300 . 1 . . . . 110 LYS C . 16743 1 231 . 1 1 21 21 LYS CA C 13 56.549 0.300 . 1 . . . . 110 LYS CA . 16743 1 232 . 1 1 21 21 LYS CB C 13 32.951 0.300 . 1 . . . . 110 LYS CB . 16743 1 233 . 1 1 21 21 LYS CD C 13 28.971 0.300 . 1 . . . . 110 LYS CD . 16743 1 234 . 1 1 21 21 LYS CE C 13 41.941 0.300 . 1 . . . . 110 LYS CE . 16743 1 235 . 1 1 21 21 LYS CG C 13 24.648 0.300 . 1 . . . . 110 LYS CG . 16743 1 236 . 1 1 21 21 LYS N N 15 122.226 0.300 . 1 . . . . 110 LYS N . 16743 1 237 . 1 1 22 22 HIS H H 1 8.436 0.020 . 1 . . . . 111 HIS H . 16743 1 238 . 1 1 22 22 HIS HA H 1 4.576 0.020 . 1 . . . . 111 HIS HA . 16743 1 239 . 1 1 22 22 HIS HB2 H 1 3.059 0.020 . 2 . . . . 111 HIS HB2 . 16743 1 240 . 1 1 22 22 HIS HB3 H 1 3.169 0.020 . 2 . . . . 111 HIS HB3 . 16743 1 241 . 1 1 22 22 HIS HD2 H 1 7.160 0.020 . 1 . . . . 111 HIS HD2 . 16743 1 242 . 1 1 22 22 HIS C C 13 174.669 0.300 . 1 . . . . 111 HIS C . 16743 1 243 . 1 1 22 22 HIS CA C 13 55.719 0.300 . 1 . . . . 111 HIS CA . 16743 1 244 . 1 1 22 22 HIS CB C 13 29.681 0.300 . 1 . . . . 111 HIS CB . 16743 1 245 . 1 1 22 22 HIS CD2 C 13 119.918 0.300 . 1 . . . . 111 HIS CD2 . 16743 1 246 . 1 1 22 22 HIS N N 15 119.978 0.300 . 1 . . . . 111 HIS N . 16743 1 247 . 1 1 23 23 MET H H 1 8.348 0.020 . 1 . . . . 112 MET H . 16743 1 248 . 1 1 23 23 MET HA H 1 4.414 0.020 . 1 . . . . 112 MET HA . 16743 1 249 . 1 1 23 23 MET HB2 H 1 1.911 0.020 . 2 . . . . 112 MET HB2 . 16743 1 250 . 1 1 23 23 MET HB3 H 1 2.018 0.020 . 2 . . . . 112 MET HB3 . 16743 1 251 . 1 1 23 23 MET HE1 H 1 2.033 0.020 . 1 . . . . 112 MET HE . 16743 1 252 . 1 1 23 23 MET HE2 H 1 2.033 0.020 . 1 . . . . 112 MET HE . 16743 1 253 . 1 1 23 23 MET HE3 H 1 2.033 0.020 . 1 . . . . 112 MET HE . 16743 1 254 . 1 1 23 23 MET HG2 H 1 2.497 0.020 . 2 . . . . 112 MET HG2 . 16743 1 255 . 1 1 23 23 MET HG3 H 1 2.414 0.020 . 2 . . . . 112 MET HG3 . 16743 1 256 . 1 1 23 23 MET C C 13 175.705 0.300 . 1 . . . . 112 MET C . 16743 1 257 . 1 1 23 23 MET CA C 13 55.162 0.300 . 1 . . . . 112 MET CA . 16743 1 258 . 1 1 23 23 MET CB C 13 32.907 0.300 . 1 . . . . 112 MET CB . 16743 1 259 . 1 1 23 23 MET CE C 13 16.942 0.300 . 1 . . . . 112 MET CE . 16743 1 260 . 1 1 23 23 MET CG C 13 31.932 0.300 . 1 . . . . 112 MET CG . 16743 1 261 . 1 1 23 23 MET N N 15 122.444 0.300 . 1 . . . . 112 MET N . 16743 1 262 . 1 1 24 24 ALA H H 1 8.389 0.020 . 1 . . . . 113 ALA H . 16743 1 263 . 1 1 24 24 ALA HA H 1 4.244 0.020 . 1 . . . . 113 ALA HA . 16743 1 264 . 1 1 24 24 ALA HB1 H 1 1.345 0.020 . 1 . . . . 113 ALA HB . 16743 1 265 . 1 1 24 24 ALA HB2 H 1 1.345 0.020 . 1 . . . . 113 ALA HB . 16743 1 266 . 1 1 24 24 ALA HB3 H 1 1.345 0.020 . 1 . . . . 113 ALA HB . 16743 1 267 . 1 1 24 24 ALA C C 13 178.107 0.300 . 1 . . . . 113 ALA C . 16743 1 268 . 1 1 24 24 ALA CA C 13 52.678 0.300 . 1 . . . . 113 ALA CA . 16743 1 269 . 1 1 24 24 ALA CB C 13 19.230 0.300 . 1 . . . . 113 ALA CB . 16743 1 270 . 1 1 24 24 ALA N N 15 125.652 0.300 . 1 . . . . 113 ALA N . 16743 1 271 . 1 1 25 25 GLY H H 1 8.386 0.020 . 1 . . . . 114 GLY H . 16743 1 272 . 1 1 25 25 GLY HA2 H 1 3.904 0.020 . 2 . . . . 114 GLY HA2 . 16743 1 273 . 1 1 25 25 GLY HA3 H 1 3.889 0.020 . 2 . . . . 114 GLY HA3 . 16743 1 274 . 1 1 25 25 GLY C C 13 173.962 0.300 . 1 . . . . 114 GLY C . 16743 1 275 . 1 1 25 25 GLY CA C 13 45.163 0.300 . 1 . . . . 114 GLY CA . 16743 1 276 . 1 1 25 25 GLY N N 15 108.467 0.300 . 1 . . . . 114 GLY N . 16743 1 277 . 1 1 26 26 ALA H H 1 8.143 0.020 . 1 . . . . 115 ALA H . 16743 1 278 . 1 1 26 26 ALA HA H 1 4.250 0.020 . 1 . . . . 115 ALA HA . 16743 1 279 . 1 1 26 26 ALA HB1 H 1 1.344 0.020 . 1 . . . . 115 ALA HB . 16743 1 280 . 1 1 26 26 ALA HB2 H 1 1.344 0.020 . 1 . . . . 115 ALA HB . 16743 1 281 . 1 1 26 26 ALA HB3 H 1 1.344 0.020 . 1 . . . . 115 ALA HB . 16743 1 282 . 1 1 26 26 ALA C C 13 177.620 0.300 . 1 . . . . 115 ALA C . 16743 1 283 . 1 1 26 26 ALA CA C 13 52.581 0.300 . 1 . . . . 115 ALA CA . 16743 1 284 . 1 1 26 26 ALA CB C 13 19.245 0.300 . 1 . . . . 115 ALA CB . 16743 1 285 . 1 1 26 26 ALA N N 15 123.872 0.300 . 1 . . . . 115 ALA N . 16743 1 286 . 1 1 27 27 ALA H H 1 8.176 0.020 . 1 . . . . 116 ALA H . 16743 1 287 . 1 1 27 27 ALA HA H 1 4.250 0.020 . 1 . . . . 116 ALA HA . 16743 1 288 . 1 1 27 27 ALA HB1 H 1 1.345 0.020 . 1 . . . . 116 ALA HB . 16743 1 289 . 1 1 27 27 ALA HB2 H 1 1.345 0.020 . 1 . . . . 116 ALA HB . 16743 1 290 . 1 1 27 27 ALA HB3 H 1 1.345 0.020 . 1 . . . . 116 ALA HB . 16743 1 291 . 1 1 27 27 ALA C C 13 177.699 0.300 . 1 . . . . 116 ALA C . 16743 1 292 . 1 1 27 27 ALA CA C 13 52.453 0.300 . 1 . . . . 116 ALA CA . 16743 1 293 . 1 1 27 27 ALA CB C 13 19.131 0.300 . 1 . . . . 116 ALA CB . 16743 1 294 . 1 1 27 27 ALA N N 15 123.232 0.300 . 1 . . . . 116 ALA N . 16743 1 295 . 1 1 28 28 ALA H H 1 8.277 0.020 . 1 . . . . 117 ALA H . 16743 1 296 . 1 1 28 28 ALA HA H 1 4.235 0.020 . 1 . . . . 117 ALA HA . 16743 1 297 . 1 1 28 28 ALA HB1 H 1 1.357 0.020 . 1 . . . . 117 ALA HB . 16743 1 298 . 1 1 28 28 ALA HB2 H 1 1.357 0.020 . 1 . . . . 117 ALA HB . 16743 1 299 . 1 1 28 28 ALA HB3 H 1 1.357 0.020 . 1 . . . . 117 ALA HB . 16743 1 300 . 1 1 28 28 ALA C C 13 177.558 0.300 . 1 . . . . 117 ALA C . 16743 1 301 . 1 1 28 28 ALA CA C 13 52.502 0.300 . 1 . . . . 117 ALA CA . 16743 1 302 . 1 1 28 28 ALA CB C 13 19.119 0.300 . 1 . . . . 117 ALA CB . 16743 1 303 . 1 1 28 28 ALA N N 15 123.137 0.300 . 1 . . . . 117 ALA N . 16743 1 304 . 1 1 29 29 ALA H H 1 8.212 0.020 . 1 . . . . 118 ALA H . 16743 1 305 . 1 1 29 29 ALA HA H 1 4.257 0.020 . 1 . . . . 118 ALA HA . 16743 1 306 . 1 1 29 29 ALA HB1 H 1 1.334 0.020 . 1 . . . . 118 ALA HB . 16743 1 307 . 1 1 29 29 ALA HB2 H 1 1.334 0.020 . 1 . . . . 118 ALA HB . 16743 1 308 . 1 1 29 29 ALA HB3 H 1 1.334 0.020 . 1 . . . . 118 ALA HB . 16743 1 309 . 1 1 29 29 ALA C C 13 178.217 0.300 . 1 . . . . 118 ALA C . 16743 1 310 . 1 1 29 29 ALA CA C 13 52.676 0.300 . 1 . . . . 118 ALA CA . 16743 1 311 . 1 1 29 29 ALA CB C 13 19.119 0.300 . 1 . . . . 118 ALA CB . 16743 1 312 . 1 1 29 29 ALA N N 15 123.193 0.300 . 1 . . . . 118 ALA N . 16743 1 313 . 1 1 30 30 GLY H H 1 8.278 0.020 . 1 . . . . 119 GLY H . 16743 1 314 . 1 1 30 30 GLY HA2 H 1 3.908 0.020 . 1 . . . . 119 GLY HA2 . 16743 1 315 . 1 1 30 30 GLY HA3 H 1 3.908 0.020 . 1 . . . . 119 GLY HA3 . 16743 1 316 . 1 1 30 30 GLY C C 13 173.711 0.300 . 1 . . . . 119 GLY C . 16743 1 317 . 1 1 30 30 GLY CA C 13 45.223 0.300 . 1 . . . . 119 GLY CA . 16743 1 318 . 1 1 30 30 GLY N N 15 107.903 0.300 . 1 . . . . 119 GLY N . 16743 1 319 . 1 1 31 31 ALA H H 1 8.054 0.020 . 1 . . . . 120 ALA H . 16743 1 320 . 1 1 31 31 ALA HA H 1 4.312 0.020 . 1 . . . . 120 ALA HA . 16743 1 321 . 1 1 31 31 ALA HB1 H 1 1.337 0.020 . 1 . . . . 120 ALA HB . 16743 1 322 . 1 1 31 31 ALA HB2 H 1 1.337 0.020 . 1 . . . . 120 ALA HB . 16743 1 323 . 1 1 31 31 ALA HB3 H 1 1.337 0.020 . 1 . . . . 120 ALA HB . 16743 1 324 . 1 1 31 31 ALA C C 13 177.558 0.300 . 1 . . . . 120 ALA C . 16743 1 325 . 1 1 31 31 ALA CA C 13 52.316 0.300 . 1 . . . . 120 ALA CA . 16743 1 326 . 1 1 31 31 ALA CB C 13 19.230 0.300 . 1 . . . . 120 ALA CB . 16743 1 327 . 1 1 31 31 ALA N N 15 123.537 0.300 . 1 . . . . 120 ALA N . 16743 1 328 . 1 1 32 32 VAL H H 1 8.116 0.020 . 1 . . . . 121 VAL H . 16743 1 329 . 1 1 32 32 VAL HA H 1 4.087 0.020 . 1 . . . . 121 VAL HA . 16743 1 330 . 1 1 32 32 VAL HB H 1 1.973 0.020 . 1 . . . . 121 VAL HB . 16743 1 331 . 1 1 32 32 VAL HG11 H 1 0.856 0.020 . 1 . . . . 121 VAL HG1 . 16743 1 332 . 1 1 32 32 VAL HG12 H 1 0.856 0.020 . 1 . . . . 121 VAL HG1 . 16743 1 333 . 1 1 32 32 VAL HG13 H 1 0.856 0.020 . 1 . . . . 121 VAL HG1 . 16743 1 334 . 1 1 32 32 VAL HG21 H 1 0.813 0.020 . 1 . . . . 121 VAL HG2 . 16743 1 335 . 1 1 32 32 VAL HG22 H 1 0.813 0.020 . 1 . . . . 121 VAL HG2 . 16743 1 336 . 1 1 32 32 VAL HG23 H 1 0.813 0.020 . 1 . . . . 121 VAL HG2 . 16743 1 337 . 1 1 32 32 VAL C C 13 176.317 0.300 . 1 . . . . 121 VAL C . 16743 1 338 . 1 1 32 32 VAL CA C 13 62.141 0.300 . 1 . . . . 121 VAL CA . 16743 1 339 . 1 1 32 32 VAL CB C 13 32.618 0.300 . 1 . . . . 121 VAL CB . 16743 1 340 . 1 1 32 32 VAL CG1 C 13 20.694 0.300 . 1 . . . . 121 VAL CG1 . 16743 1 341 . 1 1 32 32 VAL CG2 C 13 21.253 0.300 . 1 . . . . 121 VAL CG2 . 16743 1 342 . 1 1 32 32 VAL N N 15 119.558 0.300 . 1 . . . . 121 VAL N . 16743 1 343 . 1 1 33 33 VAL H H 1 8.269 0.020 . 1 . . . . 122 VAL H . 16743 1 344 . 1 1 33 33 VAL HA H 1 4.039 0.020 . 1 . . . . 122 VAL HA . 16743 1 345 . 1 1 33 33 VAL HB H 1 1.971 0.020 . 1 . . . . 122 VAL HB . 16743 1 346 . 1 1 33 33 VAL HG11 H 1 0.810 0.020 . 1 . . . . 122 VAL HG1 . 16743 1 347 . 1 1 33 33 VAL HG12 H 1 0.810 0.020 . 1 . . . . 122 VAL HG1 . 16743 1 348 . 1 1 33 33 VAL HG13 H 1 0.810 0.020 . 1 . . . . 122 VAL HG1 . 16743 1 349 . 1 1 33 33 VAL HG21 H 1 0.854 0.020 . 1 . . . . 122 VAL HG2 . 16743 1 350 . 1 1 33 33 VAL HG22 H 1 0.854 0.020 . 1 . . . . 122 VAL HG2 . 16743 1 351 . 1 1 33 33 VAL HG23 H 1 0.854 0.020 . 1 . . . . 122 VAL HG2 . 16743 1 352 . 1 1 33 33 VAL C C 13 176.615 0.300 . 1 . . . . 122 VAL C . 16743 1 353 . 1 1 33 33 VAL CA C 13 62.494 0.300 . 1 . . . . 122 VAL CA . 16743 1 354 . 1 1 33 33 VAL CB C 13 32.640 0.300 . 1 . . . . 122 VAL CB . 16743 1 355 . 1 1 33 33 VAL CG1 C 13 21.199 0.300 . 1 . . . . 122 VAL CG1 . 16743 1 356 . 1 1 33 33 VAL CG2 C 13 20.678 0.300 . 1 . . . . 122 VAL CG2 . 16743 1 357 . 1 1 33 33 VAL N N 15 124.633 0.300 . 1 . . . . 122 VAL N . 16743 1 358 . 1 1 34 34 GLY H H 1 8.545 0.020 . 1 . . . . 123 GLY H . 16743 1 359 . 1 1 34 34 GLY HA2 H 1 3.909 0.020 . 1 . . . . 123 GLY HA2 . 16743 1 360 . 1 1 34 34 GLY HA3 H 1 3.909 0.020 . 1 . . . . 123 GLY HA3 . 16743 1 361 . 1 1 34 34 GLY C C 13 174.637 0.300 . 1 . . . . 123 GLY C . 16743 1 362 . 1 1 34 34 GLY CA C 13 45.420 0.300 . 1 . . . . 123 GLY CA . 16743 1 363 . 1 1 34 34 GLY N N 15 113.198 0.300 . 1 . . . . 123 GLY N . 16743 1 364 . 1 1 35 35 GLY H H 1 8.250 0.020 . 1 . . . . 124 GLY H . 16743 1 365 . 1 1 35 35 GLY HA2 H 1 3.917 0.020 . 1 . . . . 124 GLY HA2 . 16743 1 366 . 1 1 35 35 GLY HA3 H 1 3.917 0.020 . 1 . . . . 124 GLY HA3 . 16743 1 367 . 1 1 35 35 GLY C C 13 174.276 0.300 . 1 . . . . 124 GLY C . 16743 1 368 . 1 1 35 35 GLY CA C 13 45.294 0.300 . 1 . . . . 124 GLY CA . 16743 1 369 . 1 1 35 35 GLY N N 15 108.418 0.300 . 1 . . . . 124 GLY N . 16743 1 370 . 1 1 36 36 LEU H H 1 8.226 0.020 . 1 . . . . 125 LEU H . 16743 1 371 . 1 1 36 36 LEU HA H 1 4.307 0.020 . 1 . . . . 125 LEU HA . 16743 1 372 . 1 1 36 36 LEU HB2 H 1 1.557 0.020 . 2 . . . . 125 LEU HB2 . 16743 1 373 . 1 1 36 36 LEU HB3 H 1 1.470 0.020 . 2 . . . . 125 LEU HB3 . 16743 1 374 . 1 1 36 36 LEU HD11 H 1 0.604 0.020 . 1 . . . . 125 LEU HD1 . 16743 1 375 . 1 1 36 36 LEU HD12 H 1 0.604 0.020 . 1 . . . . 125 LEU HD1 . 16743 1 376 . 1 1 36 36 LEU HD13 H 1 0.604 0.020 . 1 . . . . 125 LEU HD1 . 16743 1 377 . 1 1 36 36 LEU HD21 H 1 0.495 0.020 . 1 . . . . 125 LEU HD2 . 16743 1 378 . 1 1 36 36 LEU HD22 H 1 0.495 0.020 . 1 . . . . 125 LEU HD2 . 16743 1 379 . 1 1 36 36 LEU HD23 H 1 0.495 0.020 . 1 . . . . 125 LEU HD2 . 16743 1 380 . 1 1 36 36 LEU HG H 1 1.440 0.020 . 1 . . . . 125 LEU HG . 16743 1 381 . 1 1 36 36 LEU C C 13 177.872 0.300 . 1 . . . . 125 LEU C . 16743 1 382 . 1 1 36 36 LEU CA C 13 54.860 0.300 . 1 . . . . 125 LEU CA . 16743 1 383 . 1 1 36 36 LEU CB C 13 42.538 0.300 . 1 . . . . 125 LEU CB . 16743 1 384 . 1 1 36 36 LEU CD1 C 13 24.609 0.300 . 1 . . . . 125 LEU CD1 . 16743 1 385 . 1 1 36 36 LEU CD2 C 13 23.538 0.300 . 1 . . . . 125 LEU CD2 . 16743 1 386 . 1 1 36 36 LEU CG C 13 26.889 0.300 . 1 . . . . 125 LEU CG . 16743 1 387 . 1 1 36 36 LEU N N 15 121.778 0.300 . 1 . . . . 125 LEU N . 16743 1 388 . 1 1 37 37 GLY H H 1 8.510 0.020 . 1 . . . . 126 GLY H . 16743 1 389 . 1 1 37 37 GLY HA2 H 1 3.885 0.020 . 2 . . . . 126 GLY HA2 . 16743 1 390 . 1 1 37 37 GLY HA3 H 1 3.794 0.020 . 2 . . . . 126 GLY HA3 . 16743 1 391 . 1 1 37 37 GLY C C 13 174.747 0.300 . 1 . . . . 126 GLY C . 16743 1 392 . 1 1 37 37 GLY CA C 13 46.141 0.300 . 1 . . . . 126 GLY CA . 16743 1 393 . 1 1 37 37 GLY N N 15 109.887 0.300 . 1 . . . . 126 GLY N . 16743 1 394 . 1 1 38 38 GLY H H 1 8.336 0.020 . 1 . . . . 127 GLY H . 16743 1 395 . 1 1 38 38 GLY HA2 H 1 3.705 0.020 . 2 . . . . 127 GLY HA2 . 16743 1 396 . 1 1 38 38 GLY HA3 H 1 3.872 0.020 . 2 . . . . 127 GLY HA3 . 16743 1 397 . 1 1 38 38 GLY C C 13 173.774 0.300 . 1 . . . . 127 GLY C . 16743 1 398 . 1 1 38 38 GLY CA C 13 45.050 0.300 . 1 . . . . 127 GLY CA . 16743 1 399 . 1 1 38 38 GLY N N 15 109.168 0.300 . 1 . . . . 127 GLY N . 16743 1 400 . 1 1 39 39 TYR H H 1 7.737 0.020 . 1 . . . . 128 TYR H . 16743 1 401 . 1 1 39 39 TYR HA H 1 4.512 0.020 . 1 . . . . 128 TYR HA . 16743 1 402 . 1 1 39 39 TYR HB2 H 1 2.824 0.020 . 2 . . . . 128 TYR HB2 . 16743 1 403 . 1 1 39 39 TYR HB3 H 1 2.870 0.020 . 2 . . . . 128 TYR HB3 . 16743 1 404 . 1 1 39 39 TYR HD1 H 1 6.794 0.020 . 1 . . . . 128 TYR HD1 . 16743 1 405 . 1 1 39 39 TYR HD2 H 1 6.794 0.020 . 1 . . . . 128 TYR HD2 . 16743 1 406 . 1 1 39 39 TYR HE1 H 1 6.681 0.020 . 1 . . . . 128 TYR HE1 . 16743 1 407 . 1 1 39 39 TYR HE2 H 1 6.681 0.020 . 1 . . . . 128 TYR HE2 . 16743 1 408 . 1 1 39 39 TYR C C 13 175.611 0.300 . 1 . . . . 128 TYR C . 16743 1 409 . 1 1 39 39 TYR CA C 13 57.999 0.300 . 1 . . . . 128 TYR CA . 16743 1 410 . 1 1 39 39 TYR CB C 13 40.313 0.300 . 1 . . . . 128 TYR CB . 16743 1 411 . 1 1 39 39 TYR CD1 C 13 132.660 0.300 . 1 . . . . 128 TYR CD1 . 16743 1 412 . 1 1 39 39 TYR CD2 C 13 132.660 0.300 . 1 . . . . 128 TYR CD2 . 16743 1 413 . 1 1 39 39 TYR CE1 C 13 118.189 0.300 . 1 . . . . 128 TYR CE1 . 16743 1 414 . 1 1 39 39 TYR CE2 C 13 118.189 0.300 . 1 . . . . 128 TYR CE2 . 16743 1 415 . 1 1 39 39 TYR N N 15 117.717 0.300 . 1 . . . . 128 TYR N . 16743 1 416 . 1 1 40 40 MET H H 1 8.973 0.020 . 1 . . . . 129 MET H . 16743 1 417 . 1 1 40 40 MET HA H 1 4.499 0.020 . 1 . . . . 129 MET HA . 16743 1 418 . 1 1 40 40 MET HB2 H 1 1.550 0.020 . 2 . . . . 129 MET HB2 . 16743 1 419 . 1 1 40 40 MET HB3 H 1 0.843 0.020 . 2 . . . . 129 MET HB3 . 16743 1 420 . 1 1 40 40 MET HE1 H 1 1.986 0.020 . 1 . . . . 129 MET HE . 16743 1 421 . 1 1 40 40 MET HE2 H 1 1.986 0.020 . 1 . . . . 129 MET HE . 16743 1 422 . 1 1 40 40 MET HE3 H 1 1.986 0.020 . 1 . . . . 129 MET HE . 16743 1 423 . 1 1 40 40 MET HG2 H 1 2.207 0.020 . 1 . . . . 129 MET HG2 . 16743 1 424 . 1 1 40 40 MET HG3 H 1 2.207 0.020 . 1 . . . . 129 MET HG3 . 16743 1 425 . 1 1 40 40 MET C C 13 172.973 0.300 . 1 . . . . 129 MET C . 16743 1 426 . 1 1 40 40 MET CA C 13 53.578 0.300 . 1 . . . . 129 MET CA . 16743 1 427 . 1 1 40 40 MET CB C 13 34.840 0.300 . 1 . . . . 129 MET CB . 16743 1 428 . 1 1 40 40 MET CE C 13 17.270 0.300 . 1 . . . . 129 MET CE . 16743 1 429 . 1 1 40 40 MET CG C 13 32.350 0.300 . 1 . . . . 129 MET CG . 16743 1 430 . 1 1 40 40 MET N N 15 120.950 0.300 . 1 . . . . 129 MET N . 16743 1 431 . 1 1 41 41 LEU H H 1 8.009 0.020 . 1 . . . . 130 LEU H . 16743 1 432 . 1 1 41 41 LEU HA H 1 4.556 0.020 . 1 . . . . 130 LEU HA . 16743 1 433 . 1 1 41 41 LEU HB2 H 1 1.560 0.020 . 2 . . . . 130 LEU HB2 . 16743 1 434 . 1 1 41 41 LEU HB3 H 1 0.992 0.020 . 2 . . . . 130 LEU HB3 . 16743 1 435 . 1 1 41 41 LEU HD11 H 1 0.030 0.020 . 1 . . . . 130 LEU HD1 . 16743 1 436 . 1 1 41 41 LEU HD12 H 1 0.030 0.020 . 1 . . . . 130 LEU HD1 . 16743 1 437 . 1 1 41 41 LEU HD13 H 1 0.030 0.020 . 1 . . . . 130 LEU HD1 . 16743 1 438 . 1 1 41 41 LEU HD21 H 1 0.532 0.020 . 1 . . . . 130 LEU HD2 . 16743 1 439 . 1 1 41 41 LEU HD22 H 1 0.532 0.020 . 1 . . . . 130 LEU HD2 . 16743 1 440 . 1 1 41 41 LEU HD23 H 1 0.532 0.020 . 1 . . . . 130 LEU HD2 . 16743 1 441 . 1 1 41 41 LEU HG H 1 1.356 0.020 . 1 . . . . 130 LEU HG . 16743 1 442 . 1 1 41 41 LEU C C 13 178.445 0.300 . 1 . . . . 130 LEU C . 16743 1 443 . 1 1 41 41 LEU CA C 13 53.484 0.300 . 1 . . . . 130 LEU CA . 16743 1 444 . 1 1 41 41 LEU CB C 13 43.984 0.300 . 1 . . . . 130 LEU CB . 16743 1 445 . 1 1 41 41 LEU CD1 C 13 22.162 0.300 . 1 . . . . 130 LEU CD1 . 16743 1 446 . 1 1 41 41 LEU CD2 C 13 25.548 0.300 . 1 . . . . 130 LEU CD2 . 16743 1 447 . 1 1 41 41 LEU CG C 13 26.218 0.300 . 1 . . . . 130 LEU CG . 16743 1 448 . 1 1 41 41 LEU N N 15 121.229 0.300 . 1 . . . . 130 LEU N . 16743 1 449 . 1 1 42 42 GLY H H 1 9.453 0.020 . 1 . . . . 131 GLY H . 16743 1 450 . 1 1 42 42 GLY HA2 H 1 4.374 0.020 . 2 . . . . 131 GLY HA2 . 16743 1 451 . 1 1 42 42 GLY HA3 H 1 3.946 0.020 . 2 . . . . 131 GLY HA3 . 16743 1 452 . 1 1 42 42 GLY C C 13 172.863 0.300 . 1 . . . . 131 GLY C . 16743 1 453 . 1 1 42 42 GLY CA C 13 44.485 0.300 . 1 . . . . 131 GLY CA . 16743 1 454 . 1 1 42 42 GLY N N 15 114.555 0.300 . 1 . . . . 131 GLY N . 16743 1 455 . 1 1 43 43 SER H H 1 8.349 0.020 . 1 . . . . 132 SER H . 16743 1 456 . 1 1 43 43 SER HA H 1 4.377 0.020 . 1 . . . . 132 SER HA . 16743 1 457 . 1 1 43 43 SER HB2 H 1 3.907 0.020 . 2 . . . . 132 SER HB2 . 16743 1 458 . 1 1 43 43 SER HB3 H 1 3.830 0.020 . 2 . . . . 132 SER HB3 . 16743 1 459 . 1 1 43 43 SER C C 13 174.716 0.300 . 1 . . . . 132 SER C . 16743 1 460 . 1 1 43 43 SER CA C 13 58.402 0.300 . 1 . . . . 132 SER CA . 16743 1 461 . 1 1 43 43 SER CB C 13 64.051 0.300 . 1 . . . . 132 SER CB . 16743 1 462 . 1 1 43 43 SER N N 15 113.823 0.300 . 1 . . . . 132 SER N . 16743 1 463 . 1 1 44 44 ALA H H 1 8.669 0.020 . 1 . . . . 133 ALA H . 16743 1 464 . 1 1 44 44 ALA HA H 1 4.407 0.020 . 1 . . . . 133 ALA HA . 16743 1 465 . 1 1 44 44 ALA HB1 H 1 1.240 0.020 . 1 . . . . 133 ALA HB . 16743 1 466 . 1 1 44 44 ALA HB2 H 1 1.240 0.020 . 1 . . . . 133 ALA HB . 16743 1 467 . 1 1 44 44 ALA HB3 H 1 1.240 0.020 . 1 . . . . 133 ALA HB . 16743 1 468 . 1 1 44 44 ALA C C 13 177.620 0.300 . 1 . . . . 133 ALA C . 16743 1 469 . 1 1 44 44 ALA CA C 13 52.980 0.300 . 1 . . . . 133 ALA CA . 16743 1 470 . 1 1 44 44 ALA CB C 13 18.465 0.300 . 1 . . . . 133 ALA CB . 16743 1 471 . 1 1 44 44 ALA N N 15 125.108 0.300 . 1 . . . . 133 ALA N . 16743 1 472 . 1 1 45 45 MET H H 1 8.695 0.020 . 1 . . . . 134 MET H . 16743 1 473 . 1 1 45 45 MET HA H 1 4.702 0.020 . 1 . . . . 134 MET HA . 16743 1 474 . 1 1 45 45 MET HB2 H 1 2.059 0.020 . 2 . . . . 134 MET HB2 . 16743 1 475 . 1 1 45 45 MET HB3 H 1 1.926 0.020 . 2 . . . . 134 MET HB3 . 16743 1 476 . 1 1 45 45 MET HE1 H 1 2.114 0.020 . 1 . . . . 134 MET HE . 16743 1 477 . 1 1 45 45 MET HE2 H 1 2.114 0.020 . 1 . . . . 134 MET HE . 16743 1 478 . 1 1 45 45 MET HE3 H 1 2.114 0.020 . 1 . . . . 134 MET HE . 16743 1 479 . 1 1 45 45 MET HG2 H 1 2.539 0.020 . 2 . . . . 134 MET HG2 . 16743 1 480 . 1 1 45 45 MET HG3 H 1 2.488 0.020 . 2 . . . . 134 MET HG3 . 16743 1 481 . 1 1 45 45 MET C C 13 175.564 0.300 . 1 . . . . 134 MET C . 16743 1 482 . 1 1 45 45 MET CA C 13 54.029 0.300 . 1 . . . . 134 MET CA . 16743 1 483 . 1 1 45 45 MET CB C 13 36.160 0.300 . 1 . . . . 134 MET CB . 16743 1 484 . 1 1 45 45 MET CE C 13 17.683 0.300 . 1 . . . . 134 MET CE . 16743 1 485 . 1 1 45 45 MET CG C 13 32.263 0.300 . 1 . . . . 134 MET CG . 16743 1 486 . 1 1 45 45 MET N N 15 121.365 0.300 . 1 . . . . 134 MET N . 16743 1 487 . 1 1 46 46 SER H H 1 8.416 0.020 . 1 . . . . 135 SER H . 16743 1 488 . 1 1 46 46 SER HA H 1 4.321 0.020 . 1 . . . . 135 SER HA . 16743 1 489 . 1 1 46 46 SER HB2 H 1 3.793 0.020 . 2 . . . . 135 SER HB2 . 16743 1 490 . 1 1 46 46 SER HB3 H 1 3.719 0.020 . 2 . . . . 135 SER HB3 . 16743 1 491 . 1 1 46 46 SER C C 13 174.276 0.300 . 1 . . . . 135 SER C . 16743 1 492 . 1 1 46 46 SER CA C 13 58.504 0.300 . 1 . . . . 135 SER CA . 16743 1 493 . 1 1 46 46 SER CB C 13 63.281 0.300 . 1 . . . . 135 SER CB . 16743 1 494 . 1 1 46 46 SER N N 15 116.189 0.300 . 1 . . . . 135 SER N . 16743 1 495 . 1 1 47 47 ARG H H 1 8.626 0.020 . 1 . . . . 136 ARG H . 16743 1 496 . 1 1 47 47 ARG HA H 1 4.450 0.020 . 1 . . . . 136 ARG HA . 16743 1 497 . 1 1 47 47 ARG HB2 H 1 1.710 0.020 . 2 . . . . 136 ARG HB2 . 16743 1 498 . 1 1 47 47 ARG HB3 H 1 1.705 0.020 . 2 . . . . 136 ARG HB3 . 16743 1 499 . 1 1 47 47 ARG HD2 H 1 3.141 0.020 . 2 . . . . 136 ARG HD2 . 16743 1 500 . 1 1 47 47 ARG HD3 H 1 3.152 0.020 . 2 . . . . 136 ARG HD3 . 16743 1 501 . 1 1 47 47 ARG HG2 H 1 1.850 0.020 . 1 . . . . 136 ARG HG2 . 16743 1 502 . 1 1 47 47 ARG HG3 H 1 1.850 0.020 . 1 . . . . 136 ARG HG3 . 16743 1 503 . 1 1 47 47 ARG CA C 13 54.830 0.300 . 1 . . . . 136 ARG CA . 16743 1 504 . 1 1 47 47 ARG CB C 13 29.279 0.300 . 1 . . . . 136 ARG CB . 16743 1 505 . 1 1 47 47 ARG CD C 13 43.600 0.300 . 1 . . . . 136 ARG CD . 16743 1 506 . 1 1 47 47 ARG CG C 13 28.600 0.300 . 1 . . . . 136 ARG CG . 16743 1 507 . 1 1 47 47 ARG N N 15 125.248 0.300 . 1 . . . . 136 ARG N . 16743 1 508 . 1 1 48 48 PRO HA H 1 4.446 0.020 . 1 . . . . 137 PRO HA . 16743 1 509 . 1 1 48 48 PRO HB2 H 1 1.750 0.020 . 2 . . . . 137 PRO HB2 . 16743 1 510 . 1 1 48 48 PRO HB3 H 1 2.176 0.020 . 2 . . . . 137 PRO HB3 . 16743 1 511 . 1 1 48 48 PRO HD2 H 1 3.903 0.020 . 2 . . . . 137 PRO HD2 . 16743 1 512 . 1 1 48 48 PRO HD3 H 1 3.730 0.020 . 2 . . . . 137 PRO HD3 . 16743 1 513 . 1 1 48 48 PRO HG2 H 1 1.957 0.020 . 2 . . . . 137 PRO HG2 . 16743 1 514 . 1 1 48 48 PRO HG3 H 1 2.048 0.020 . 2 . . . . 137 PRO HG3 . 16743 1 515 . 1 1 48 48 PRO C C 13 175.815 0.300 . 1 . . . . 137 PRO C . 16743 1 516 . 1 1 48 48 PRO CA C 13 62.464 0.300 . 1 . . . . 137 PRO CA . 16743 1 517 . 1 1 48 48 PRO CB C 13 32.384 0.300 . 1 . . . . 137 PRO CB . 16743 1 518 . 1 1 48 48 PRO CD C 13 50.906 0.300 . 1 . . . . 137 PRO CD . 16743 1 519 . 1 1 48 48 PRO CG C 13 27.217 0.300 . 1 . . . . 137 PRO CG . 16743 1 520 . 1 1 49 49 ILE H H 1 8.533 0.020 . 1 . . . . 138 ILE H . 16743 1 521 . 1 1 49 49 ILE HA H 1 4.094 0.020 . 1 . . . . 138 ILE HA . 16743 1 522 . 1 1 49 49 ILE HB H 1 1.830 0.020 . 1 . . . . 138 ILE HB . 16743 1 523 . 1 1 49 49 ILE HD11 H 1 0.847 0.020 . 1 . . . . 138 ILE HD1 . 16743 1 524 . 1 1 49 49 ILE HD12 H 1 0.847 0.020 . 1 . . . . 138 ILE HD1 . 16743 1 525 . 1 1 49 49 ILE HD13 H 1 0.847 0.020 . 1 . . . . 138 ILE HD1 . 16743 1 526 . 1 1 49 49 ILE HG12 H 1 1.309 0.020 . 2 . . . . 138 ILE HG12 . 16743 1 527 . 1 1 49 49 ILE HG13 H 1 1.546 0.020 . 2 . . . . 138 ILE HG13 . 16743 1 528 . 1 1 49 49 ILE HG21 H 1 0.700 0.020 . 1 . . . . 138 ILE HG2 . 16743 1 529 . 1 1 49 49 ILE HG22 H 1 0.700 0.020 . 1 . . . . 138 ILE HG2 . 16743 1 530 . 1 1 49 49 ILE HG23 H 1 0.700 0.020 . 1 . . . . 138 ILE HG2 . 16743 1 531 . 1 1 49 49 ILE C C 13 175.396 0.300 . 1 . . . . 138 ILE C . 16743 1 532 . 1 1 49 49 ILE CA C 13 61.083 0.300 . 1 . . . . 138 ILE CA . 16743 1 533 . 1 1 49 49 ILE CB C 13 36.458 0.300 . 1 . . . . 138 ILE CB . 16743 1 534 . 1 1 49 49 ILE CD1 C 13 11.508 0.300 . 1 . . . . 138 ILE CD1 . 16743 1 535 . 1 1 49 49 ILE CG1 C 13 27.262 0.300 . 1 . . . . 138 ILE CG1 . 16743 1 536 . 1 1 49 49 ILE CG2 C 13 17.403 0.300 . 1 . . . . 138 ILE CG2 . 16743 1 537 . 1 1 49 49 ILE N N 15 122.009 0.300 . 1 . . . . 138 ILE N . 16743 1 538 . 1 1 50 50 ILE H H 1 6.916 0.020 . 1 . . . . 139 ILE H . 16743 1 539 . 1 1 50 50 ILE HA H 1 3.903 0.020 . 1 . . . . 139 ILE HA . 16743 1 540 . 1 1 50 50 ILE HB H 1 0.835 0.020 . 1 . . . . 139 ILE HB . 16743 1 541 . 1 1 50 50 ILE HD11 H 1 0.395 0.020 . 1 . . . . 139 ILE HD1 . 16743 1 542 . 1 1 50 50 ILE HD12 H 1 0.395 0.020 . 1 . . . . 139 ILE HD1 . 16743 1 543 . 1 1 50 50 ILE HD13 H 1 0.395 0.020 . 1 . . . . 139 ILE HD1 . 16743 1 544 . 1 1 50 50 ILE HG12 H 1 0.643 0.020 . 2 . . . . 139 ILE HG12 . 16743 1 545 . 1 1 50 50 ILE HG13 H 1 0.874 0.020 . 2 . . . . 139 ILE HG13 . 16743 1 546 . 1 1 50 50 ILE HG21 H 1 -0.070 0.020 . 1 . . . . 139 ILE HG2 . 16743 1 547 . 1 1 50 50 ILE HG22 H 1 -0.070 0.020 . 1 . . . . 139 ILE HG2 . 16743 1 548 . 1 1 50 50 ILE HG23 H 1 -0.070 0.020 . 1 . . . . 139 ILE HG2 . 16743 1 549 . 1 1 50 50 ILE C C 13 173.601 0.300 . 1 . . . . 139 ILE C . 16743 1 550 . 1 1 50 50 ILE CA C 13 59.267 0.300 . 1 . . . . 139 ILE CA . 16743 1 551 . 1 1 50 50 ILE CB C 13 39.779 0.300 . 1 . . . . 139 ILE CB . 16743 1 552 . 1 1 50 50 ILE CD1 C 13 13.126 0.300 . 1 . . . . 139 ILE CD1 . 16743 1 553 . 1 1 50 50 ILE CG1 C 13 26.551 0.300 . 1 . . . . 139 ILE CG1 . 16743 1 554 . 1 1 50 50 ILE CG2 C 13 17.436 0.300 . 1 . . . . 139 ILE CG2 . 16743 1 555 . 1 1 50 50 ILE N N 15 126.944 0.300 . 1 . . . . 139 ILE N . 16743 1 556 . 1 1 51 51 HIS H H 1 8.242 0.020 . 1 . . . . 140 HIS H . 16743 1 557 . 1 1 51 51 HIS HA H 1 4.869 0.020 . 1 . . . . 140 HIS HA . 16743 1 558 . 1 1 51 51 HIS HB2 H 1 3.205 0.020 . 2 . . . . 140 HIS HB2 . 16743 1 559 . 1 1 51 51 HIS HB3 H 1 2.902 0.020 . 2 . . . . 140 HIS HB3 . 16743 1 560 . 1 1 51 51 HIS HD2 H 1 7.206 0.020 . 1 . . . . 140 HIS HD2 . 16743 1 561 . 1 1 51 51 HIS HE1 H 1 8.531 0.020 . 1 . . . . 140 HIS HE1 . 16743 1 562 . 1 1 51 51 HIS C C 13 174.355 0.300 . 1 . . . . 140 HIS C . 16743 1 563 . 1 1 51 51 HIS CA C 13 54.102 0.300 . 1 . . . . 140 HIS CA . 16743 1 564 . 1 1 51 51 HIS CB C 13 29.720 0.300 . 1 . . . . 140 HIS CB . 16743 1 565 . 1 1 51 51 HIS CD2 C 13 119.788 0.300 . 1 . . . . 140 HIS CD2 . 16743 1 566 . 1 1 51 51 HIS CE1 C 13 136.414 0.300 . 1 . . . . 140 HIS CE1 . 16743 1 567 . 1 1 51 51 HIS N N 15 122.152 0.300 . 1 . . . . 140 HIS N . 16743 1 568 . 1 1 52 52 PHE H H 1 9.962 0.020 . 1 . . . . 141 PHE H . 16743 1 569 . 1 1 52 52 PHE HA H 1 4.366 0.020 . 1 . . . . 141 PHE HA . 16743 1 570 . 1 1 52 52 PHE HB2 H 1 2.883 0.020 . 2 . . . . 141 PHE HB2 . 16743 1 571 . 1 1 52 52 PHE HB3 H 1 3.254 0.020 . 2 . . . . 141 PHE HB3 . 16743 1 572 . 1 1 52 52 PHE HD1 H 1 7.320 0.020 . 3 . . . . 141 PHE HD1 . 16743 1 573 . 1 1 52 52 PHE HD2 H 1 7.300 0.020 . 3 . . . . 141 PHE HD2 . 16743 1 574 . 1 1 52 52 PHE HE1 H 1 6.942 0.020 . 3 . . . . 141 PHE HE1 . 16743 1 575 . 1 1 52 52 PHE HE2 H 1 6.942 0.020 . 3 . . . . 141 PHE HE2 . 16743 1 576 . 1 1 52 52 PHE HZ H 1 6.730 0.020 . 1 . . . . 141 PHE HZ . 16743 1 577 . 1 1 52 52 PHE C C 13 176.709 0.300 . 1 . . . . 141 PHE C . 16743 1 578 . 1 1 52 52 PHE CA C 13 59.020 0.300 . 1 . . . . 141 PHE CA . 16743 1 579 . 1 1 52 52 PHE CB C 13 41.662 0.300 . 1 . . . . 141 PHE CB . 16743 1 580 . 1 1 52 52 PHE CD1 C 13 131.590 0.300 . 1 . . . . 141 PHE CD1 . 16743 1 581 . 1 1 52 52 PHE CD2 C 13 131.590 0.300 . 1 . . . . 141 PHE CD2 . 16743 1 582 . 1 1 52 52 PHE CE1 C 13 131.234 0.300 . 1 . . . . 141 PHE CE1 . 16743 1 583 . 1 1 52 52 PHE CE2 C 13 131.234 0.300 . 1 . . . . 141 PHE CE2 . 16743 1 584 . 1 1 52 52 PHE CZ C 13 129.300 0.300 . 1 . . . . 141 PHE CZ . 16743 1 585 . 1 1 52 52 PHE N N 15 124.140 0.300 . 1 . . . . 141 PHE N . 16743 1 586 . 1 1 53 53 GLY H H 1 9.065 0.020 . 1 . . . . 142 GLY H . 16743 1 587 . 1 1 53 53 GLY HA2 H 1 4.042 0.020 . 2 . . . . 142 GLY HA2 . 16743 1 588 . 1 1 53 53 GLY HA3 H 1 3.900 0.020 . 2 . . . . 142 GLY HA3 . 16743 1 589 . 1 1 53 53 GLY C C 13 173.551 0.300 . 1 . . . . 142 GLY C . 16743 1 590 . 1 1 53 53 GLY CA C 13 45.445 0.300 . 1 . . . . 142 GLY CA . 16743 1 591 . 1 1 53 53 GLY N N 15 108.441 0.300 . 1 . . . . 142 GLY N . 16743 1 592 . 1 1 54 54 SER H H 1 7.355 0.020 . 1 . . . . 143 SER H . 16743 1 593 . 1 1 54 54 SER HA H 1 4.790 0.020 . 1 . . . . 143 SER HA . 16743 1 594 . 1 1 54 54 SER HB2 H 1 4.061 0.020 . 2 . . . . 143 SER HB2 . 16743 1 595 . 1 1 54 54 SER HB3 H 1 3.876 0.020 . 2 . . . . 143 SER HB3 . 16743 1 596 . 1 1 54 54 SER C C 13 173.978 0.300 . 1 . . . . 143 SER C . 16743 1 597 . 1 1 54 54 SER CA C 13 56.668 0.300 . 1 . . . . 143 SER CA . 16743 1 598 . 1 1 54 54 SER CB C 13 65.955 0.300 . 1 . . . . 143 SER CB . 16743 1 599 . 1 1 54 54 SER N N 15 111.879 0.300 . 1 . . . . 143 SER N . 16743 1 600 . 1 1 55 55 ASP H H 1 9.007 0.020 . 1 . . . . 144 ASP H . 16743 1 601 . 1 1 55 55 ASP HA H 1 4.455 0.020 . 1 . . . . 144 ASP HA . 16743 1 602 . 1 1 55 55 ASP HB2 H 1 2.697 0.020 . 2 . . . . 144 ASP HB2 . 16743 1 603 . 1 1 55 55 ASP HB3 H 1 2.703 0.020 . 2 . . . . 144 ASP HB3 . 16743 1 604 . 1 1 55 55 ASP C C 13 178.468 0.300 . 1 . . . . 144 ASP C . 16743 1 605 . 1 1 55 55 ASP CA C 13 57.492 0.300 . 1 . . . . 144 ASP CA . 16743 1 606 . 1 1 55 55 ASP CB C 13 40.776 0.300 . 1 . . . . 144 ASP CB . 16743 1 607 . 1 1 55 55 ASP N N 15 124.545 0.300 . 1 . . . . 144 ASP N . 16743 1 608 . 1 1 56 56 TYR H H 1 8.532 0.020 . 1 . . . . 145 TYR H . 16743 1 609 . 1 1 56 56 TYR HA H 1 4.149 0.020 . 1 . . . . 145 TYR HA . 16743 1 610 . 1 1 56 56 TYR HB2 H 1 3.200 0.020 . 2 . . . . 145 TYR HB2 . 16743 1 611 . 1 1 56 56 TYR HB3 H 1 2.812 0.020 . 2 . . . . 145 TYR HB3 . 16743 1 612 . 1 1 56 56 TYR HD1 H 1 7.054 0.020 . 1 . . . . 145 TYR HD1 . 16743 1 613 . 1 1 56 56 TYR HD2 H 1 7.054 0.020 . 1 . . . . 145 TYR HD2 . 16743 1 614 . 1 1 56 56 TYR HE1 H 1 6.762 0.020 . 1 . . . . 145 TYR HE1 . 16743 1 615 . 1 1 56 56 TYR HE2 H 1 6.762 0.020 . 1 . . . . 145 TYR HE2 . 16743 1 616 . 1 1 56 56 TYR C C 13 177.856 0.300 . 1 . . . . 145 TYR C . 16743 1 617 . 1 1 56 56 TYR CA C 13 61.359 0.300 . 1 . . . . 145 TYR CA . 16743 1 618 . 1 1 56 56 TYR CB C 13 38.041 0.300 . 1 . . . . 145 TYR CB . 16743 1 619 . 1 1 56 56 TYR CD1 C 13 133.241 0.300 . 1 . . . . 145 TYR CD1 . 16743 1 620 . 1 1 56 56 TYR CD2 C 13 133.241 0.300 . 1 . . . . 145 TYR CD2 . 16743 1 621 . 1 1 56 56 TYR CE1 C 13 117.841 0.300 . 1 . . . . 145 TYR CE1 . 16743 1 622 . 1 1 56 56 TYR CE2 C 13 117.841 0.300 . 1 . . . . 145 TYR CE2 . 16743 1 623 . 1 1 56 56 TYR N N 15 118.973 0.300 . 1 . . . . 145 TYR N . 16743 1 624 . 1 1 57 57 GLU H H 1 7.691 0.020 . 1 . . . . 146 GLU H . 16743 1 625 . 1 1 57 57 GLU HA H 1 3.470 0.020 . 1 . . . . 146 GLU HA . 16743 1 626 . 1 1 57 57 GLU HB2 H 1 1.895 0.020 . 2 . . . . 146 GLU HB2 . 16743 1 627 . 1 1 57 57 GLU HB3 H 1 1.474 0.020 . 2 . . . . 146 GLU HB3 . 16743 1 628 . 1 1 57 57 GLU HG2 H 1 2.163 0.020 . 2 . . . . 146 GLU HG2 . 16743 1 629 . 1 1 57 57 GLU HG3 H 1 1.864 0.020 . 2 . . . . 146 GLU HG3 . 16743 1 630 . 1 1 57 57 GLU C C 13 177.416 0.300 . 1 . . . . 146 GLU C . 16743 1 631 . 1 1 57 57 GLU CA C 13 59.915 0.300 . 1 . . . . 146 GLU CA . 16743 1 632 . 1 1 57 57 GLU CB C 13 30.401 0.300 . 1 . . . . 146 GLU CB . 16743 1 633 . 1 1 57 57 GLU CG C 13 38.234 0.300 . 1 . . . . 146 GLU CG . 16743 1 634 . 1 1 57 57 GLU N N 15 119.198 0.300 . 1 . . . . 146 GLU N . 16743 1 635 . 1 1 58 58 ASP H H 1 8.003 0.020 . 1 . . . . 147 ASP H . 16743 1 636 . 1 1 58 58 ASP HA H 1 4.522 0.020 . 1 . . . . 147 ASP HA . 16743 1 637 . 1 1 58 58 ASP HB2 H 1 2.931 0.020 . 2 . . . . 147 ASP HB2 . 16743 1 638 . 1 1 58 58 ASP HB3 H 1 2.817 0.020 . 2 . . . . 147 ASP HB3 . 16743 1 639 . 1 1 58 58 ASP C C 13 178.924 0.300 . 1 . . . . 147 ASP C . 16743 1 640 . 1 1 58 58 ASP CA C 13 58.344 0.300 . 1 . . . . 147 ASP CA . 16743 1 641 . 1 1 58 58 ASP CB C 13 41.142 0.300 . 1 . . . . 147 ASP CB . 16743 1 642 . 1 1 58 58 ASP N N 15 119.036 0.300 . 1 . . . . 147 ASP N . 16743 1 643 . 1 1 59 59 ARG H H 1 8.187 0.020 . 1 . . . . 148 ARG H . 16743 1 644 . 1 1 59 59 ARG HA H 1 3.943 0.020 . 1 . . . . 148 ARG HA . 16743 1 645 . 1 1 59 59 ARG HB2 H 1 1.863 0.020 . 1 . . . . 148 ARG HB2 . 16743 1 646 . 1 1 59 59 ARG HB3 H 1 1.863 0.020 . 1 . . . . 148 ARG HB3 . 16743 1 647 . 1 1 59 59 ARG HD2 H 1 3.163 0.020 . 1 . . . . 148 ARG HD2 . 16743 1 648 . 1 1 59 59 ARG HD3 H 1 3.163 0.020 . 1 . . . . 148 ARG HD3 . 16743 1 649 . 1 1 59 59 ARG HG2 H 1 1.689 0.020 . 2 . . . . 148 ARG HG2 . 16743 1 650 . 1 1 59 59 ARG HG3 H 1 1.481 0.020 . 2 . . . . 148 ARG HG3 . 16743 1 651 . 1 1 59 59 ARG C C 13 177.699 0.300 . 1 . . . . 148 ARG C . 16743 1 652 . 1 1 59 59 ARG CA C 13 59.432 0.300 . 1 . . . . 148 ARG CA . 16743 1 653 . 1 1 59 59 ARG CB C 13 29.814 0.300 . 1 . . . . 148 ARG CB . 16743 1 654 . 1 1 59 59 ARG CD C 13 43.326 0.300 . 1 . . . . 148 ARG CD . 16743 1 655 . 1 1 59 59 ARG CG C 13 27.667 0.300 . 1 . . . . 148 ARG CG . 16743 1 656 . 1 1 59 59 ARG N N 15 119.665 0.300 . 1 . . . . 148 ARG N . 16743 1 657 . 1 1 60 60 TYR H H 1 8.297 0.020 . 1 . . . . 149 TYR H . 16743 1 658 . 1 1 60 60 TYR HA H 1 3.768 0.020 . 1 . . . . 149 TYR HA . 16743 1 659 . 1 1 60 60 TYR HB2 H 1 2.806 0.020 . 2 . . . . 149 TYR HB2 . 16743 1 660 . 1 1 60 60 TYR HB3 H 1 2.560 0.020 . 2 . . . . 149 TYR HB3 . 16743 1 661 . 1 1 60 60 TYR HD1 H 1 6.932 0.020 . 1 . . . . 149 TYR HD1 . 16743 1 662 . 1 1 60 60 TYR HD2 H 1 6.932 0.020 . 1 . . . . 149 TYR HD2 . 16743 1 663 . 1 1 60 60 TYR HE1 H 1 6.744 0.020 . 1 . . . . 149 TYR HE1 . 16743 1 664 . 1 1 60 60 TYR HE2 H 1 6.744 0.020 . 1 . . . . 149 TYR HE2 . 16743 1 665 . 1 1 60 60 TYR C C 13 179.520 0.300 . 1 . . . . 149 TYR C . 16743 1 666 . 1 1 60 60 TYR CA C 13 62.263 0.300 . 1 . . . . 149 TYR CA . 16743 1 667 . 1 1 60 60 TYR CB C 13 38.005 0.300 . 1 . . . . 149 TYR CB . 16743 1 668 . 1 1 60 60 TYR CD1 C 13 133.030 0.300 . 1 . . . . 149 TYR CD1 . 16743 1 669 . 1 1 60 60 TYR CD2 C 13 133.030 0.300 . 1 . . . . 149 TYR CD2 . 16743 1 670 . 1 1 60 60 TYR CE1 C 13 118.168 0.300 . 1 . . . . 149 TYR CE1 . 16743 1 671 . 1 1 60 60 TYR CE2 C 13 118.168 0.300 . 1 . . . . 149 TYR CE2 . 16743 1 672 . 1 1 60 60 TYR N N 15 120.908 0.300 . 1 . . . . 149 TYR N . 16743 1 673 . 1 1 61 61 TYR H H 1 8.904 0.020 . 1 . . . . 150 TYR H . 16743 1 674 . 1 1 61 61 TYR HA H 1 4.057 0.020 . 1 . . . . 150 TYR HA . 16743 1 675 . 1 1 61 61 TYR HB2 H 1 3.135 0.020 . 2 . . . . 150 TYR HB2 . 16743 1 676 . 1 1 61 61 TYR HB3 H 1 3.404 0.020 . 2 . . . . 150 TYR HB3 . 16743 1 677 . 1 1 61 61 TYR HD1 H 1 7.504 0.020 . 1 . . . . 150 TYR HD1 . 16743 1 678 . 1 1 61 61 TYR HD2 H 1 7.504 0.020 . 1 . . . . 150 TYR HD2 . 16743 1 679 . 1 1 61 61 TYR HE1 H 1 7.020 0.020 . 1 . . . . 150 TYR HE1 . 16743 1 680 . 1 1 61 61 TYR HE2 H 1 7.020 0.020 . 1 . . . . 150 TYR HE2 . 16743 1 681 . 1 1 61 61 TYR C C 13 177.134 0.300 . 1 . . . . 150 TYR C . 16743 1 682 . 1 1 61 61 TYR CA C 13 63.206 0.300 . 1 . . . . 150 TYR CA . 16743 1 683 . 1 1 61 61 TYR CB C 13 38.475 0.300 . 1 . . . . 150 TYR CB . 16743 1 684 . 1 1 61 61 TYR CD1 C 13 133.360 0.300 . 1 . . . . 150 TYR CD1 . 16743 1 685 . 1 1 61 61 TYR CD2 C 13 133.360 0.300 . 1 . . . . 150 TYR CD2 . 16743 1 686 . 1 1 61 61 TYR CE1 C 13 118.338 0.300 . 1 . . . . 150 TYR CE1 . 16743 1 687 . 1 1 61 61 TYR CE2 C 13 118.338 0.300 . 1 . . . . 150 TYR CE2 . 16743 1 688 . 1 1 61 61 TYR N N 15 120.428 0.300 . 1 . . . . 150 TYR N . 16743 1 689 . 1 1 62 62 ARG H H 1 8.038 0.020 . 1 . . . . 151 ARG H . 16743 1 690 . 1 1 62 62 ARG HA H 1 3.874 0.020 . 1 . . . . 151 ARG HA . 16743 1 691 . 1 1 62 62 ARG HB2 H 1 2.018 0.020 . 2 . . . . 151 ARG HB2 . 16743 1 692 . 1 1 62 62 ARG HB3 H 1 1.917 0.020 . 2 . . . . 151 ARG HB3 . 16743 1 693 . 1 1 62 62 ARG HD2 H 1 3.322 0.020 . 2 . . . . 151 ARG HD2 . 16743 1 694 . 1 1 62 62 ARG HD3 H 1 3.237 0.020 . 2 . . . . 151 ARG HD3 . 16743 1 695 . 1 1 62 62 ARG HG2 H 1 1.966 0.020 . 2 . . . . 151 ARG HG2 . 16743 1 696 . 1 1 62 62 ARG HG3 H 1 1.737 0.020 . 2 . . . . 151 ARG HG3 . 16743 1 697 . 1 1 62 62 ARG C C 13 179.489 0.300 . 1 . . . . 151 ARG C . 16743 1 698 . 1 1 62 62 ARG CA C 13 59.912 0.300 . 1 . . . . 151 ARG CA . 16743 1 699 . 1 1 62 62 ARG CB C 13 29.760 0.300 . 1 . . . . 151 ARG CB . 16743 1 700 . 1 1 62 62 ARG CD C 13 43.396 0.300 . 1 . . . . 151 ARG CD . 16743 1 701 . 1 1 62 62 ARG CG C 13 28.328 0.300 . 1 . . . . 151 ARG CG . 16743 1 702 . 1 1 62 62 ARG N N 15 118.079 0.300 . 1 . . . . 151 ARG N . 16743 1 703 . 1 1 63 63 GLU H H 1 8.022 0.020 . 1 . . . . 152 GLU H . 16743 1 704 . 1 1 63 63 GLU HA H 1 4.012 0.020 . 1 . . . . 152 GLU HA . 16743 1 705 . 1 1 63 63 GLU HB2 H 1 1.838 0.020 . 2 . . . . 152 GLU HB2 . 16743 1 706 . 1 1 63 63 GLU HB3 H 1 1.855 0.020 . 2 . . . . 152 GLU HB3 . 16743 1 707 . 1 1 63 63 GLU HG2 H 1 2.395 0.020 . 2 . . . . 152 GLU HG2 . 16743 1 708 . 1 1 63 63 GLU HG3 H 1 2.149 0.020 . 2 . . . . 152 GLU HG3 . 16743 1 709 . 1 1 63 63 GLU C C 13 177.306 0.300 . 1 . . . . 152 GLU C . 16743 1 710 . 1 1 63 63 GLU CA C 13 57.999 0.300 . 1 . . . . 152 GLU CA . 16743 1 711 . 1 1 63 63 GLU CB C 13 30.012 0.300 . 1 . . . . 152 GLU CB . 16743 1 712 . 1 1 63 63 GLU CG C 13 36.750 0.300 . 1 . . . . 152 GLU CG . 16743 1 713 . 1 1 63 63 GLU N N 15 116.304 0.300 . 1 . . . . 152 GLU N . 16743 1 714 . 1 1 64 64 ASN H H 1 7.485 0.020 . 1 . . . . 153 ASN H . 16743 1 715 . 1 1 64 64 ASN HA H 1 4.344 0.020 . 1 . . . . 153 ASN HA . 16743 1 716 . 1 1 64 64 ASN HB2 H 1 2.108 0.020 . 2 . . . . 153 ASN HB2 . 16743 1 717 . 1 1 64 64 ASN HB3 H 1 2.133 0.020 . 2 . . . . 153 ASN HB3 . 16743 1 718 . 1 1 64 64 ASN HD21 H 1 6.543 0.020 . 1 . . . . 153 ASN HD21 . 16743 1 719 . 1 1 64 64 ASN HD22 H 1 6.873 0.020 . 1 . . . . 153 ASN HD22 . 16743 1 720 . 1 1 64 64 ASN C C 13 175.658 0.300 . 1 . . . . 153 ASN C . 16743 1 721 . 1 1 64 64 ASN CA C 13 54.847 0.300 . 1 . . . . 153 ASN CA . 16743 1 722 . 1 1 64 64 ASN CB C 13 41.579 0.300 . 1 . . . . 153 ASN CB . 16743 1 723 . 1 1 64 64 ASN N N 15 114.642 0.300 . 1 . . . . 153 ASN N . 16743 1 724 . 1 1 64 64 ASN ND2 N 15 117.374 0.300 . 1 . . . . 153 ASN ND2 . 16743 1 725 . 1 1 65 65 MET H H 1 7.995 0.020 . 1 . . . . 154 MET H . 16743 1 726 . 1 1 65 65 MET HA H 1 3.414 0.020 . 1 . . . . 154 MET HA . 16743 1 727 . 1 1 65 65 MET HB2 H 1 1.620 0.020 . 2 . . . . 154 MET HB2 . 16743 1 728 . 1 1 65 65 MET HB3 H 1 1.299 0.020 . 2 . . . . 154 MET HB3 . 16743 1 729 . 1 1 65 65 MET HE1 H 1 1.991 0.020 . 1 . . . . 154 MET HE . 16743 1 730 . 1 1 65 65 MET HE2 H 1 1.991 0.020 . 1 . . . . 154 MET HE . 16743 1 731 . 1 1 65 65 MET HE3 H 1 1.991 0.020 . 1 . . . . 154 MET HE . 16743 1 732 . 1 1 65 65 MET HG2 H 1 2.152 0.020 . 2 . . . . 154 MET HG2 . 16743 1 733 . 1 1 65 65 MET HG3 H 1 2.480 0.020 . 2 . . . . 154 MET HG3 . 16743 1 734 . 1 1 65 65 MET C C 13 176.301 0.300 . 1 . . . . 154 MET C . 16743 1 735 . 1 1 65 65 MET CA C 13 59.393 0.300 . 1 . . . . 154 MET CA . 16743 1 736 . 1 1 65 65 MET CB C 13 30.405 0.300 . 1 . . . . 154 MET CB . 16743 1 737 . 1 1 65 65 MET CE C 13 17.485 0.300 . 1 . . . . 154 MET CE . 16743 1 738 . 1 1 65 65 MET CG C 13 30.485 0.300 . 1 . . . . 154 MET CG . 16743 1 739 . 1 1 65 65 MET N N 15 119.181 0.300 . 1 . . . . 154 MET N . 16743 1 740 . 1 1 66 66 HIS H H 1 8.071 0.020 . 1 . . . . 155 HIS H . 16743 1 741 . 1 1 66 66 HIS HA H 1 4.201 0.020 . 1 . . . . 155 HIS HA . 16743 1 742 . 1 1 66 66 HIS HB2 H 1 2.910 0.020 . 2 . . . . 155 HIS HB2 . 16743 1 743 . 1 1 66 66 HIS HB3 H 1 3.128 0.020 . 2 . . . . 155 HIS HB3 . 16743 1 744 . 1 1 66 66 HIS HD2 H 1 7.351 0.020 . 1 . . . . 155 HIS HD2 . 16743 1 745 . 1 1 66 66 HIS C C 13 175.689 0.300 . 1 . . . . 155 HIS C . 16743 1 746 . 1 1 66 66 HIS CA C 13 57.766 0.300 . 1 . . . . 155 HIS CA . 16743 1 747 . 1 1 66 66 HIS CB C 13 28.902 0.300 . 1 . . . . 155 HIS CB . 16743 1 748 . 1 1 66 66 HIS CD2 C 13 120.163 0.300 . 1 . . . . 155 HIS CD2 . 16743 1 749 . 1 1 66 66 HIS N N 15 115.964 0.300 . 1 . . . . 155 HIS N . 16743 1 750 . 1 1 67 67 ARG H H 1 7.556 0.020 . 1 . . . . 156 ARG H . 16743 1 751 . 1 1 67 67 ARG HA H 1 4.085 0.020 . 1 . . . . 156 ARG HA . 16743 1 752 . 1 1 67 67 ARG HB2 H 1 2.093 0.020 . 2 . . . . 156 ARG HB2 . 16743 1 753 . 1 1 67 67 ARG HB3 H 1 1.302 0.020 . 2 . . . . 156 ARG HB3 . 16743 1 754 . 1 1 67 67 ARG HD2 H 1 3.029 0.020 . 2 . . . . 156 ARG HD2 . 16743 1 755 . 1 1 67 67 ARG HD3 H 1 3.206 0.020 . 2 . . . . 156 ARG HD3 . 16743 1 756 . 1 1 67 67 ARG HG2 H 1 0.181 0.020 . 2 . . . . 156 ARG HG2 . 16743 1 757 . 1 1 67 67 ARG HG3 H 1 1.284 0.020 . 2 . . . . 156 ARG HG3 . 16743 1 758 . 1 1 67 67 ARG C C 13 176.631 0.300 . 1 . . . . 156 ARG C . 16743 1 759 . 1 1 67 67 ARG CA C 13 56.135 0.300 . 1 . . . . 156 ARG CA . 16743 1 760 . 1 1 67 67 ARG CB C 13 30.662 0.300 . 1 . . . . 156 ARG CB . 16743 1 761 . 1 1 67 67 ARG CD C 13 44.171 0.300 . 1 . . . . 156 ARG CD . 16743 1 762 . 1 1 67 67 ARG CG C 13 26.986 0.300 . 1 . . . . 156 ARG CG . 16743 1 763 . 1 1 67 67 ARG N N 15 118.769 0.300 . 1 . . . . 156 ARG N . 16743 1 764 . 1 1 68 68 TYR H H 1 7.338 0.020 . 1 . . . . 157 TYR H . 16743 1 765 . 1 1 68 68 TYR HA H 1 4.979 0.020 . 1 . . . . 157 TYR HA . 16743 1 766 . 1 1 68 68 TYR HB2 H 1 3.025 0.020 . 2 . . . . 157 TYR HB2 . 16743 1 767 . 1 1 68 68 TYR HB3 H 1 3.114 0.020 . 2 . . . . 157 TYR HB3 . 16743 1 768 . 1 1 68 68 TYR HD1 H 1 6.913 0.020 . 1 . . . . 157 TYR HD1 . 16743 1 769 . 1 1 68 68 TYR HD2 H 1 6.913 0.020 . 1 . . . . 157 TYR HD2 . 16743 1 770 . 1 1 68 68 TYR HE1 H 1 6.597 0.020 . 1 . . . . 157 TYR HE1 . 16743 1 771 . 1 1 68 68 TYR HE2 H 1 6.597 0.020 . 1 . . . . 157 TYR HE2 . 16743 1 772 . 1 1 68 68 TYR CA C 13 52.707 0.300 . 1 . . . . 157 TYR CA . 16743 1 773 . 1 1 68 68 TYR CB C 13 35.182 0.300 . 1 . . . . 157 TYR CB . 16743 1 774 . 1 1 68 68 TYR CD1 C 13 131.065 0.300 . 1 . . . . 157 TYR CD1 . 16743 1 775 . 1 1 68 68 TYR CD2 C 13 131.065 0.300 . 1 . . . . 157 TYR CD2 . 16743 1 776 . 1 1 68 68 TYR CE1 C 13 116.943 0.300 . 1 . . . . 157 TYR CE1 . 16743 1 777 . 1 1 68 68 TYR CE2 C 13 116.942 0.300 . 1 . . . . 157 TYR CE2 . 16743 1 778 . 1 1 68 68 TYR N N 15 120.697 0.300 . 1 . . . . 157 TYR N . 16743 1 779 . 1 1 69 69 PRO HA H 1 4.208 0.020 . 1 . . . . 158 PRO HA . 16743 1 780 . 1 1 69 69 PRO HB2 H 1 2.275 0.020 . 2 . . . . 158 PRO HB2 . 16743 1 781 . 1 1 69 69 PRO HB3 H 1 1.557 0.020 . 2 . . . . 158 PRO HB3 . 16743 1 782 . 1 1 69 69 PRO HD2 H 1 2.966 0.020 . 2 . . . . 158 PRO HD2 . 16743 1 783 . 1 1 69 69 PRO HD3 H 1 3.111 0.020 . 2 . . . . 158 PRO HD3 . 16743 1 784 . 1 1 69 69 PRO HG2 H 1 1.104 0.020 . 2 . . . . 158 PRO HG2 . 16743 1 785 . 1 1 69 69 PRO HG3 H 1 1.483 0.020 . 2 . . . . 158 PRO HG3 . 16743 1 786 . 1 1 69 69 PRO C C 13 175.297 0.300 . 1 . . . . 158 PRO C . 16743 1 787 . 1 1 69 69 PRO CA C 13 63.602 0.300 . 1 . . . . 158 PRO CA . 16743 1 788 . 1 1 69 69 PRO CB C 13 32.054 0.300 . 1 . . . . 158 PRO CB . 16743 1 789 . 1 1 69 69 PRO CD C 13 49.986 0.300 . 1 . . . . 158 PRO CD . 16743 1 790 . 1 1 69 69 PRO CG C 13 27.200 0.300 . 1 . . . . 158 PRO CG . 16743 1 791 . 1 1 70 70 ASN H H 1 8.615 0.020 . 1 . . . . 159 ASN H . 16743 1 792 . 1 1 70 70 ASN HA H 1 4.573 0.020 . 1 . . . . 159 ASN HA . 16743 1 793 . 1 1 70 70 ASN HB2 H 1 3.497 0.020 . 2 . . . . 159 ASN HB2 . 16743 1 794 . 1 1 70 70 ASN HB3 H 1 2.425 0.020 . 2 . . . . 159 ASN HB3 . 16743 1 795 . 1 1 70 70 ASN HD21 H 1 7.458 0.020 . 1 . . . . 159 ASN HD21 . 16743 1 796 . 1 1 70 70 ASN HD22 H 1 6.792 0.020 . 1 . . . . 159 ASN HD22 . 16743 1 797 . 1 1 70 70 ASN C C 13 172.690 0.300 . 1 . . . . 159 ASN C . 16743 1 798 . 1 1 70 70 ASN CA C 13 52.042 0.300 . 1 . . . . 159 ASN CA . 16743 1 799 . 1 1 70 70 ASN CB C 13 38.498 0.300 . 1 . . . . 159 ASN CB . 16743 1 800 . 1 1 70 70 ASN N N 15 116.524 0.300 . 1 . . . . 159 ASN N . 16743 1 801 . 1 1 70 70 ASN ND2 N 15 109.551 0.300 . 1 . . . . 159 ASN ND2 . 16743 1 802 . 1 1 71 71 GLN H H 1 7.294 0.020 . 1 . . . . 160 GLN H . 16743 1 803 . 1 1 71 71 GLN HA H 1 4.526 0.020 . 1 . . . . 160 GLN HA . 16743 1 804 . 1 1 71 71 GLN HB2 H 1 1.948 0.020 . 2 . . . . 160 GLN HB2 . 16743 1 805 . 1 1 71 71 GLN HB3 H 1 1.641 0.020 . 2 . . . . 160 GLN HB3 . 16743 1 806 . 1 1 71 71 GLN HE21 H 1 7.839 0.020 . 1 . . . . 160 GLN HE21 . 16743 1 807 . 1 1 71 71 GLN HE22 H 1 6.954 0.020 . 1 . . . . 160 GLN HE22 . 16743 1 808 . 1 1 71 71 GLN HG2 H 1 2.202 0.020 . 2 . . . . 160 GLN HG2 . 16743 1 809 . 1 1 71 71 GLN HG3 H 1 1.976 0.020 . 2 . . . . 160 GLN HG3 . 16743 1 810 . 1 1 71 71 GLN C C 13 174.888 0.300 . 1 . . . . 160 GLN C . 16743 1 811 . 1 1 71 71 GLN CA C 13 54.289 0.300 . 1 . . . . 160 GLN CA . 16743 1 812 . 1 1 71 71 GLN CB C 13 33.273 0.300 . 1 . . . . 160 GLN CB . 16743 1 813 . 1 1 71 71 GLN CG C 13 33.817 0.300 . 1 . . . . 160 GLN CG . 16743 1 814 . 1 1 71 71 GLN N N 15 114.626 0.300 . 1 . . . . 160 GLN N . 16743 1 815 . 1 1 71 71 GLN NE2 N 15 112.308 0.300 . 1 . . . . 160 GLN NE2 . 16743 1 816 . 1 1 72 72 VAL H H 1 8.431 0.020 . 1 . . . . 161 VAL H . 16743 1 817 . 1 1 72 72 VAL HA H 1 4.868 0.020 . 1 . . . . 161 VAL HA . 16743 1 818 . 1 1 72 72 VAL HB H 1 2.522 0.020 . 1 . . . . 161 VAL HB . 16743 1 819 . 1 1 72 72 VAL HG11 H 1 0.895 0.020 . 1 . . . . 161 VAL HG1 . 16743 1 820 . 1 1 72 72 VAL HG12 H 1 0.895 0.020 . 1 . . . . 161 VAL HG1 . 16743 1 821 . 1 1 72 72 VAL HG13 H 1 0.895 0.020 . 1 . . . . 161 VAL HG1 . 16743 1 822 . 1 1 72 72 VAL HG21 H 1 0.712 0.020 . 1 . . . . 161 VAL HG2 . 16743 1 823 . 1 1 72 72 VAL HG22 H 1 0.712 0.020 . 1 . . . . 161 VAL HG2 . 16743 1 824 . 1 1 72 72 VAL HG23 H 1 0.712 0.020 . 1 . . . . 161 VAL HG2 . 16743 1 825 . 1 1 72 72 VAL C C 13 174.355 0.300 . 1 . . . . 161 VAL C . 16743 1 826 . 1 1 72 72 VAL CA C 13 58.855 0.300 . 1 . . . . 161 VAL CA . 16743 1 827 . 1 1 72 72 VAL CB C 13 33.535 0.300 . 1 . . . . 161 VAL CB . 16743 1 828 . 1 1 72 72 VAL CG1 C 13 24.040 0.300 . 1 . . . . 161 VAL CG1 . 16743 1 829 . 1 1 72 72 VAL CG2 C 13 18.350 0.300 . 1 . . . . 161 VAL CG2 . 16743 1 830 . 1 1 72 72 VAL N N 15 112.806 0.300 . 1 . . . . 161 VAL N . 16743 1 831 . 1 1 73 73 TYR H H 1 8.573 0.020 . 1 . . . . 162 TYR H . 16743 1 832 . 1 1 73 73 TYR HA H 1 5.476 0.020 . 1 . . . . 162 TYR HA . 16743 1 833 . 1 1 73 73 TYR HB2 H 1 2.490 0.020 . 2 . . . . 162 TYR HB2 . 16743 1 834 . 1 1 73 73 TYR HB3 H 1 2.529 0.020 . 2 . . . . 162 TYR HB3 . 16743 1 835 . 1 1 73 73 TYR HD1 H 1 6.934 0.020 . 1 . . . . 162 TYR HD1 . 16743 1 836 . 1 1 73 73 TYR HD2 H 1 6.934 0.020 . 1 . . . . 162 TYR HD2 . 16743 1 837 . 1 1 73 73 TYR HE1 H 1 6.764 0.020 . 1 . . . . 162 TYR HE1 . 16743 1 838 . 1 1 73 73 TYR HE2 H 1 6.764 0.020 . 1 . . . . 162 TYR HE2 . 16743 1 839 . 1 1 73 73 TYR C C 13 174.307 0.300 . 1 . . . . 162 TYR C . 16743 1 840 . 1 1 73 73 TYR CA C 13 57.089 0.300 . 1 . . . . 162 TYR CA . 16743 1 841 . 1 1 73 73 TYR CB C 13 42.236 0.300 . 1 . . . . 162 TYR CB . 16743 1 842 . 1 1 73 73 TYR CD1 C 13 132.990 0.300 . 1 . . . . 162 TYR CD1 . 16743 1 843 . 1 1 73 73 TYR CD2 C 13 132.990 0.300 . 1 . . . . 162 TYR CD2 . 16743 1 844 . 1 1 73 73 TYR CE1 C 13 118.268 0.300 . 1 . . . . 162 TYR CE1 . 16743 1 845 . 1 1 73 73 TYR CE2 C 13 118.268 0.300 . 1 . . . . 162 TYR CE2 . 16743 1 846 . 1 1 73 73 TYR N N 15 121.394 0.300 . 1 . . . . 162 TYR N . 16743 1 847 . 1 1 74 74 TYR H H 1 8.595 0.020 . 1 . . . . 163 TYR H . 16743 1 848 . 1 1 74 74 TYR HA H 1 4.770 0.020 . 1 . . . . 163 TYR HA . 16743 1 849 . 1 1 74 74 TYR HB2 H 1 2.809 0.020 . 2 . . . . 163 TYR HB2 . 16743 1 850 . 1 1 74 74 TYR HB3 H 1 2.652 0.020 . 2 . . . . 163 TYR HB3 . 16743 1 851 . 1 1 74 74 TYR HD1 H 1 6.949 0.020 . 1 . . . . 163 TYR HD1 . 16743 1 852 . 1 1 74 74 TYR HD2 H 1 6.949 0.020 . 1 . . . . 163 TYR HD2 . 16743 1 853 . 1 1 74 74 TYR HE1 H 1 6.443 0.020 . 1 . . . . 163 TYR HE1 . 16743 1 854 . 1 1 74 74 TYR HE2 H 1 6.443 0.020 . 1 . . . . 163 TYR HE2 . 16743 1 855 . 1 1 74 74 TYR CA C 13 55.591 0.300 . 1 . . . . 163 TYR CA . 16743 1 856 . 1 1 74 74 TYR CB C 13 40.311 0.300 . 1 . . . . 163 TYR CB . 16743 1 857 . 1 1 74 74 TYR CD1 C 13 133.469 0.300 . 1 . . . . 163 TYR CD1 . 16743 1 858 . 1 1 74 74 TYR CD2 C 13 133.469 0.300 . 1 . . . . 163 TYR CD2 . 16743 1 859 . 1 1 74 74 TYR CE1 C 13 117.655 0.300 . 1 . . . . 163 TYR CE1 . 16743 1 860 . 1 1 74 74 TYR CE2 C 13 117.655 0.300 . 1 . . . . 163 TYR CE2 . 16743 1 861 . 1 1 74 74 TYR N N 15 111.185 0.300 . 1 . . . . 163 TYR N . 16743 1 862 . 1 1 75 75 ARG HA H 1 4.576 0.020 . 1 . . . . 164 ARG HA . 16743 1 863 . 1 1 75 75 ARG HB2 H 1 1.488 0.020 . 2 . . . . 164 ARG HB2 . 16743 1 864 . 1 1 75 75 ARG HB3 H 1 1.610 0.020 . 2 . . . . 164 ARG HB3 . 16743 1 865 . 1 1 75 75 ARG HD2 H 1 2.884 0.020 . 2 . . . . 164 ARG HD2 . 16743 1 866 . 1 1 75 75 ARG HD3 H 1 2.862 0.020 . 2 . . . . 164 ARG HD3 . 16743 1 867 . 1 1 75 75 ARG HG2 H 1 1.130 0.020 . 2 . . . . 164 ARG HG2 . 16743 1 868 . 1 1 75 75 ARG HG3 H 1 1.175 0.020 . 2 . . . . 164 ARG HG3 . 16743 1 869 . 1 1 75 75 ARG CA C 13 52.691 0.300 . 1 . . . . 164 ARG CA . 16743 1 870 . 1 1 75 75 ARG CB C 13 30.463 0.300 . 1 . . . . 164 ARG CB . 16743 1 871 . 1 1 75 75 ARG CD C 13 43.293 0.300 . 1 . . . . 164 ARG CD . 16743 1 872 . 1 1 75 75 ARG CG C 13 27.156 0.300 . 1 . . . . 164 ARG CG . 16743 1 873 . 1 1 76 76 PRO HA H 1 4.453 0.020 . 1 . . . . 165 PRO HA . 16743 1 874 . 1 1 76 76 PRO HB2 H 1 2.422 0.020 . 2 . . . . 165 PRO HB2 . 16743 1 875 . 1 1 76 76 PRO HB3 H 1 1.760 0.020 . 2 . . . . 165 PRO HB3 . 16743 1 876 . 1 1 76 76 PRO HD2 H 1 3.675 0.020 . 2 . . . . 165 PRO HD2 . 16743 1 877 . 1 1 76 76 PRO HD3 H 1 3.537 0.020 . 2 . . . . 165 PRO HD3 . 16743 1 878 . 1 1 76 76 PRO HG2 H 1 2.029 0.020 . 2 . . . . 165 PRO HG2 . 16743 1 879 . 1 1 76 76 PRO HG3 H 1 1.855 0.020 . 2 . . . . 165 PRO HG3 . 16743 1 880 . 1 1 76 76 PRO C C 13 177.288 0.300 . 1 . . . . 165 PRO C . 16743 1 881 . 1 1 76 76 PRO CA C 13 62.983 0.300 . 1 . . . . 165 PRO CA . 16743 1 882 . 1 1 76 76 PRO CB C 13 32.388 0.300 . 1 . . . . 165 PRO CB . 16743 1 883 . 1 1 76 76 PRO CD C 13 50.354 0.300 . 1 . . . . 165 PRO CD . 16743 1 884 . 1 1 76 76 PRO CG C 13 28.095 0.300 . 1 . . . . 165 PRO CG . 16743 1 885 . 1 1 77 77 MET H H 1 9.086 0.020 . 1 . . . . 166 MET H . 16743 1 886 . 1 1 77 77 MET HA H 1 4.392 0.020 . 1 . . . . 166 MET HA . 16743 1 887 . 1 1 77 77 MET HB2 H 1 2.265 0.020 . 2 . . . . 166 MET HB2 . 16743 1 888 . 1 1 77 77 MET HB3 H 1 2.273 0.020 . 2 . . . . 166 MET HB3 . 16743 1 889 . 1 1 77 77 MET HE1 H 1 1.529 0.020 . 1 . . . . 166 MET HE . 16743 1 890 . 1 1 77 77 MET HE2 H 1 1.529 0.020 . 1 . . . . 166 MET HE . 16743 1 891 . 1 1 77 77 MET HE3 H 1 1.529 0.020 . 1 . . . . 166 MET HE . 16743 1 892 . 1 1 77 77 MET HG2 H 1 1.778 0.020 . 2 . . . . 166 MET HG2 . 16743 1 893 . 1 1 77 77 MET HG3 H 1 1.767 0.020 . 2 . . . . 166 MET HG3 . 16743 1 894 . 1 1 77 77 MET C C 13 175.799 0.300 . 1 . . . . 166 MET C . 16743 1 895 . 1 1 77 77 MET CA C 13 57.120 0.300 . 1 . . . . 166 MET CA . 16743 1 896 . 1 1 77 77 MET CB C 13 32.434 0.300 . 1 . . . . 166 MET CB . 16743 1 897 . 1 1 77 77 MET CE C 13 17.089 0.300 . 1 . . . . 166 MET CE . 16743 1 898 . 1 1 77 77 MET CG C 13 32.689 0.300 . 1 . . . . 166 MET CG . 16743 1 899 . 1 1 77 77 MET N N 15 121.852 0.300 . 1 . . . . 166 MET N . 16743 1 900 . 1 1 78 78 ASP H H 1 8.190 0.020 . 1 . . . . 167 ASP H . 16743 1 901 . 1 1 78 78 ASP HA H 1 4.495 0.020 . 1 . . . . 167 ASP HA . 16743 1 902 . 1 1 78 78 ASP HB2 H 1 2.802 0.020 . 2 . . . . 167 ASP HB2 . 16743 1 903 . 1 1 78 78 ASP HB3 H 1 2.661 0.020 . 2 . . . . 167 ASP HB3 . 16743 1 904 . 1 1 78 78 ASP C C 13 176.882 0.300 . 1 . . . . 167 ASP C . 16743 1 905 . 1 1 78 78 ASP CA C 13 54.817 0.300 . 1 . . . . 167 ASP CA . 16743 1 906 . 1 1 78 78 ASP CB C 13 41.168 0.300 . 1 . . . . 167 ASP CB . 16743 1 907 . 1 1 78 78 ASP N N 15 119.929 0.300 . 1 . . . . 167 ASP N . 16743 1 908 . 1 1 79 79 GLU H H 1 8.333 0.020 . 1 . . . . 168 GLU H . 16743 1 909 . 1 1 79 79 GLU HA H 1 4.547 0.020 . 1 . . . . 168 GLU HA . 16743 1 910 . 1 1 79 79 GLU HB2 H 1 3.067 0.020 . 2 . . . . 168 GLU HB2 . 16743 1 911 . 1 1 79 79 GLU HB3 H 1 2.967 0.020 . 2 . . . . 168 GLU HB3 . 16743 1 912 . 1 1 79 79 GLU CA C 13 55.399 0.300 . 1 . . . . 168 GLU CA . 16743 1 913 . 1 1 79 79 GLU CB C 13 29.830 0.300 . 1 . . . . 168 GLU CB . 16743 1 914 . 1 1 79 79 GLU CG C 13 32.750 0.300 . 1 . . . . 168 GLU CG . 16743 1 915 . 1 1 79 79 GLU N N 15 116.907 0.300 . 1 . . . . 168 GLU N . 16743 1 916 . 1 1 80 80 TYR HA H 1 4.257 0.020 . 1 . . . . 169 TYR HA . 16743 1 917 . 1 1 80 80 TYR HB2 H 1 3.161 0.020 . 2 . . . . 169 TYR HB2 . 16743 1 918 . 1 1 80 80 TYR HB3 H 1 2.952 0.020 . 2 . . . . 169 TYR HB3 . 16743 1 919 . 1 1 80 80 TYR HD1 H 1 7.206 0.020 . 3 . . . . 169 TYR HD1 . 16743 1 920 . 1 1 80 80 TYR HD2 H 1 7.206 0.020 . 3 . . . . 169 TYR HD2 . 16743 1 921 . 1 1 80 80 TYR HE1 H 1 6.836 0.020 . 3 . . . . 169 TYR HE1 . 16743 1 922 . 1 1 80 80 TYR HE2 H 1 6.836 0.020 . 3 . . . . 169 TYR HE2 . 16743 1 923 . 1 1 80 80 TYR C C 13 176.223 0.300 . 1 . . . . 169 TYR C . 16743 1 924 . 1 1 80 80 TYR CA C 13 60.038 0.300 . 1 . . . . 169 TYR CA . 16743 1 925 . 1 1 80 80 TYR CB C 13 37.986 0.300 . 1 . . . . 169 TYR CB . 16743 1 926 . 1 1 80 80 TYR CD1 C 13 133.307 0.300 . 1 . . . . 169 TYR CD1 . 16743 1 927 . 1 1 80 80 TYR CD2 C 13 133.307 0.300 . 1 . . . . 169 TYR CD2 . 16743 1 928 . 1 1 80 80 TYR CE1 C 13 117.922 0.300 . 1 . . . . 169 TYR CE1 . 16743 1 929 . 1 1 80 80 TYR CE2 C 13 117.922 0.300 . 1 . . . . 169 TYR CE2 . 16743 1 930 . 1 1 81 81 SER H H 1 8.583 0.020 . 1 . . . . 170 SER H . 16743 1 931 . 1 1 81 81 SER CA C 13 58.474 0.300 . 1 . . . . 170 SER CA . 16743 1 932 . 1 1 81 81 SER CB C 13 63.810 0.300 . 1 . . . . 170 SER CB . 16743 1 933 . 1 1 81 81 SER N N 15 116.657 0.300 . 1 . . . . 170 SER N . 16743 1 934 . 1 1 82 82 ASN HA H 1 4.666 0.020 . 1 . . . . 171 ASN HA . 16743 1 935 . 1 1 82 82 ASN HB2 H 1 2.994 0.020 . 2 . . . . 171 ASN HB2 . 16743 1 936 . 1 1 82 82 ASN HB3 H 1 3.063 0.020 . 2 . . . . 171 ASN HB3 . 16743 1 937 . 1 1 82 82 ASN HD21 H 1 7.570 0.020 . 1 . . . . 171 ASN HD21 . 16743 1 938 . 1 1 82 82 ASN HD22 H 1 6.751 0.020 . 1 . . . . 171 ASN HD22 . 16743 1 939 . 1 1 82 82 ASN C C 13 174.350 0.300 . 1 . . . . 171 ASN C . 16743 1 940 . 1 1 82 82 ASN CA C 13 52.331 0.300 . 1 . . . . 171 ASN CA . 16743 1 941 . 1 1 82 82 ASN CB C 13 39.397 0.300 . 1 . . . . 171 ASN CB . 16743 1 942 . 1 1 82 82 ASN ND2 N 15 112.961 0.300 . 1 . . . . 171 ASN ND2 . 16743 1 943 . 1 1 83 83 GLN H H 1 8.647 0.020 . 1 . . . . 172 GLN H . 16743 1 944 . 1 1 83 83 GLN HB2 H 1 1.554 0.020 . 1 . . . . 172 GLN HB2 . 16743 1 945 . 1 1 83 83 GLN HB3 H 1 1.554 0.020 . 1 . . . . 172 GLN HB3 . 16743 1 946 . 1 1 83 83 GLN HE21 H 1 7.470 0.020 . 1 . . . . 172 GLN HE21 . 16743 1 947 . 1 1 83 83 GLN HE22 H 1 6.820 0.020 . 1 . . . . 172 GLN HE22 . 16743 1 948 . 1 1 83 83 GLN C C 13 176.882 0.300 . 1 . . . . 172 GLN C . 16743 1 949 . 1 1 83 83 GLN CA C 13 59.711 0.300 . 1 . . . . 172 GLN CA . 16743 1 950 . 1 1 83 83 GLN CB C 13 28.911 0.300 . 1 . . . . 172 GLN CB . 16743 1 951 . 1 1 83 83 GLN CG C 13 34.080 0.300 . 1 . . . . 172 GLN CG . 16743 1 952 . 1 1 83 83 GLN N N 15 120.655 0.300 . 1 . . . . 172 GLN N . 16743 1 953 . 1 1 83 83 GLN NE2 N 15 111.800 0.300 . 1 . . . . 172 GLN NE2 . 16743 1 954 . 1 1 84 84 ASN H H 1 8.370 0.020 . 1 . . . . 173 ASN H . 16743 1 955 . 1 1 84 84 ASN HA H 1 4.193 0.020 . 1 . . . . 173 ASN HA . 16743 1 956 . 1 1 84 84 ASN HB2 H 1 2.621 0.020 . 2 . . . . 173 ASN HB2 . 16743 1 957 . 1 1 84 84 ASN HB3 H 1 2.689 0.020 . 2 . . . . 173 ASN HB3 . 16743 1 958 . 1 1 84 84 ASN HD21 H 1 6.949 0.020 . 1 . . . . 173 ASN HD21 . 16743 1 959 . 1 1 84 84 ASN HD22 H 1 7.584 0.020 . 1 . . . . 173 ASN HD22 . 16743 1 960 . 1 1 84 84 ASN C C 13 177.856 0.300 . 1 . . . . 173 ASN C . 16743 1 961 . 1 1 84 84 ASN CA C 13 56.605 0.300 . 1 . . . . 173 ASN CA . 16743 1 962 . 1 1 84 84 ASN CB C 13 37.958 0.300 . 1 . . . . 173 ASN CB . 16743 1 963 . 1 1 84 84 ASN N N 15 116.658 0.300 . 1 . . . . 173 ASN N . 16743 1 964 . 1 1 84 84 ASN ND2 N 15 112.697 0.300 . 1 . . . . 173 ASN ND2 . 16743 1 965 . 1 1 85 85 ASN H H 1 8.598 0.020 . 1 . . . . 174 ASN H . 16743 1 966 . 1 1 85 85 ASN HA H 1 4.511 0.020 . 1 . . . . 174 ASN HA . 16743 1 967 . 1 1 85 85 ASN HB2 H 1 2.941 0.020 . 2 . . . . 174 ASN HB2 . 16743 1 968 . 1 1 85 85 ASN HB3 H 1 2.825 0.020 . 2 . . . . 174 ASN HB3 . 16743 1 969 . 1 1 85 85 ASN HD21 H 1 6.828 0.020 . 1 . . . . 174 ASN HD21 . 16743 1 970 . 1 1 85 85 ASN HD22 H 1 7.461 0.020 . 1 . . . . 174 ASN HD22 . 16743 1 971 . 1 1 85 85 ASN CA C 13 55.939 0.300 . 1 . . . . 174 ASN CA . 16743 1 972 . 1 1 85 85 ASN CB C 13 37.918 0.300 . 1 . . . . 174 ASN CB . 16743 1 973 . 1 1 85 85 ASN N N 15 118.223 0.300 . 1 . . . . 174 ASN N . 16743 1 974 . 1 1 85 85 ASN ND2 N 15 112.504 0.300 . 1 . . . . 174 ASN ND2 . 16743 1 975 . 1 1 86 86 PHE HB2 H 1 3.059 0.020 . 2 . . . . 175 PHE HB2 . 16743 1 976 . 1 1 86 86 PHE HB3 H 1 2.868 0.020 . 2 . . . . 175 PHE HB3 . 16743 1 977 . 1 1 86 86 PHE HD1 H 1 7.697 0.020 . 1 . . . . 175 PHE HD1 . 16743 1 978 . 1 1 86 86 PHE HD2 H 1 7.697 0.020 . 1 . . . . 175 PHE HD2 . 16743 1 979 . 1 1 86 86 PHE HE1 H 1 6.776 0.020 . 1 . . . . 175 PHE HE1 . 16743 1 980 . 1 1 86 86 PHE HE2 H 1 6.776 0.020 . 1 . . . . 175 PHE HE2 . 16743 1 981 . 1 1 86 86 PHE HZ H 1 7.315 0.020 . 1 . . . . 175 PHE HZ . 16743 1 982 . 1 1 86 86 PHE C C 13 178.233 0.300 . 1 . . . . 175 PHE C . 16743 1 983 . 1 1 86 86 PHE CA C 13 61.069 0.300 . 1 . . . . 175 PHE CA . 16743 1 984 . 1 1 86 86 PHE CB C 13 39.634 0.300 . 1 . . . . 175 PHE CB . 16743 1 985 . 1 1 86 86 PHE CD1 C 13 131.638 0.300 . 1 . . . . 175 PHE CD1 . 16743 1 986 . 1 1 86 86 PHE CD2 C 13 131.638 0.300 . 1 . . . . 175 PHE CD2 . 16743 1 987 . 1 1 86 86 PHE CE1 C 13 129.200 0.300 . 1 . . . . 175 PHE CE1 . 16743 1 988 . 1 1 86 86 PHE CE2 C 13 129.200 0.300 . 1 . . . . 175 PHE CE2 . 16743 1 989 . 1 1 86 86 PHE CZ C 13 133.104 0.300 . 1 . . . . 175 PHE CZ . 16743 1 990 . 1 1 87 87 VAL H H 1 9.034 0.020 . 1 . . . . 176 VAL H . 16743 1 991 . 1 1 87 87 VAL HA H 1 3.503 0.020 . 1 . . . . 176 VAL HA . 16743 1 992 . 1 1 87 87 VAL HB H 1 2.197 0.020 . 1 . . . . 176 VAL HB . 16743 1 993 . 1 1 87 87 VAL HG11 H 1 0.968 0.020 . 1 . . . . 176 VAL HG1 . 16743 1 994 . 1 1 87 87 VAL HG12 H 1 0.968 0.020 . 1 . . . . 176 VAL HG1 . 16743 1 995 . 1 1 87 87 VAL HG13 H 1 0.968 0.020 . 1 . . . . 176 VAL HG1 . 16743 1 996 . 1 1 87 87 VAL HG21 H 1 1.025 0.020 . 1 . . . . 176 VAL HG2 . 16743 1 997 . 1 1 87 87 VAL HG22 H 1 1.025 0.020 . 1 . . . . 176 VAL HG2 . 16743 1 998 . 1 1 87 87 VAL HG23 H 1 1.025 0.020 . 1 . . . . 176 VAL HG2 . 16743 1 999 . 1 1 87 87 VAL C C 13 176.898 0.300 . 1 . . . . 176 VAL C . 16743 1 1000 . 1 1 87 87 VAL CA C 13 67.820 0.300 . 1 . . . . 176 VAL CA . 16743 1 1001 . 1 1 87 87 VAL CB C 13 31.788 0.300 . 1 . . . . 176 VAL CB . 16743 1 1002 . 1 1 87 87 VAL CG1 C 13 21.785 0.300 . 1 . . . . 176 VAL CG1 . 16743 1 1003 . 1 1 87 87 VAL CG2 C 13 25.015 0.300 . 1 . . . . 176 VAL CG2 . 16743 1 1004 . 1 1 87 87 VAL N N 15 120.166 0.300 . 1 . . . . 176 VAL N . 16743 1 1005 . 1 1 88 88 HIS H H 1 8.319 0.020 . 1 . . . . 177 HIS H . 16743 1 1006 . 1 1 88 88 HIS HA H 1 4.282 0.020 . 1 . . . . 177 HIS HA . 16743 1 1007 . 1 1 88 88 HIS HB2 H 1 3.332 0.020 . 2 . . . . 177 HIS HB2 . 16743 1 1008 . 1 1 88 88 HIS HB3 H 1 3.259 0.020 . 2 . . . . 177 HIS HB3 . 16743 1 1009 . 1 1 88 88 HIS HD2 H 1 7.355 0.020 . 1 . . . . 177 HIS HD2 . 16743 1 1010 . 1 1 88 88 HIS HE1 H 1 8.505 0.020 . 1 . . . . 177 HIS HE1 . 16743 1 1011 . 1 1 88 88 HIS C C 13 177.039 0.300 . 1 . . . . 177 HIS C . 16743 1 1012 . 1 1 88 88 HIS CA C 13 59.580 0.300 . 1 . . . . 177 HIS CA . 16743 1 1013 . 1 1 88 88 HIS CB C 13 28.438 0.300 . 1 . . . . 177 HIS CB . 16743 1 1014 . 1 1 88 88 HIS CD2 C 13 120.132 0.300 . 1 . . . . 177 HIS CD2 . 16743 1 1015 . 1 1 88 88 HIS CE1 C 13 136.383 0.300 . 1 . . . . 177 HIS CE1 . 16743 1 1016 . 1 1 88 88 HIS N N 15 117.076 0.300 . 1 . . . . 177 HIS N . 16743 1 1017 . 1 1 89 89 ASP H H 1 7.746 0.020 . 1 . . . . 178 ASP H . 16743 1 1018 . 1 1 89 89 ASP HA H 1 4.530 0.020 . 1 . . . . 178 ASP HA . 16743 1 1019 . 1 1 89 89 ASP HB2 H 1 2.808 0.020 . 2 . . . . 178 ASP HB2 . 16743 1 1020 . 1 1 89 89 ASP HB3 H 1 2.917 0.020 . 2 . . . . 178 ASP HB3 . 16743 1 1021 . 1 1 89 89 ASP C C 13 175.925 0.300 . 1 . . . . 178 ASP C . 16743 1 1022 . 1 1 89 89 ASP CA C 13 57.397 0.300 . 1 . . . . 178 ASP CA . 16743 1 1023 . 1 1 89 89 ASP CB C 13 41.293 0.300 . 1 . . . . 178 ASP CB . 16743 1 1024 . 1 1 89 89 ASP N N 15 118.566 0.300 . 1 . . . . 178 ASP N . 16743 1 1025 . 1 1 90 90 CYS H H 1 8.134 0.020 . 1 . . . . 179 CYS H . 16743 1 1026 . 1 1 90 90 CYS HA H 1 4.668 0.020 . 1 . . . . 179 CYS HA . 16743 1 1027 . 1 1 90 90 CYS HB2 H 1 2.996 0.020 . 2 . . . . 179 CYS HB2 . 16743 1 1028 . 1 1 90 90 CYS HB3 H 1 3.328 0.020 . 2 . . . . 179 CYS HB3 . 16743 1 1029 . 1 1 90 90 CYS C C 13 177.134 0.300 . 1 . . . . 179 CYS C . 16743 1 1030 . 1 1 90 90 CYS CA C 13 58.953 0.300 . 1 . . . . 179 CYS CA . 16743 1 1031 . 1 1 90 90 CYS CB C 13 40.358 0.300 . 1 . . . . 179 CYS CB . 16743 1 1032 . 1 1 90 90 CYS N N 15 119.029 0.300 . 1 . . . . 179 CYS N . 16743 1 1033 . 1 1 91 91 VAL H H 1 9.172 0.020 . 1 . . . . 180 VAL H . 16743 1 1034 . 1 1 91 91 VAL HA H 1 3.569 0.020 . 1 . . . . 180 VAL HA . 16743 1 1035 . 1 1 91 91 VAL HB H 1 2.155 0.020 . 1 . . . . 180 VAL HB . 16743 1 1036 . 1 1 91 91 VAL HG11 H 1 0.913 0.020 . 1 . . . . 180 VAL HG1 . 16743 1 1037 . 1 1 91 91 VAL HG12 H 1 0.913 0.020 . 1 . . . . 180 VAL HG1 . 16743 1 1038 . 1 1 91 91 VAL HG13 H 1 0.913 0.020 . 1 . . . . 180 VAL HG1 . 16743 1 1039 . 1 1 91 91 VAL HG21 H 1 1.057 0.020 . 1 . . . . 180 VAL HG2 . 16743 1 1040 . 1 1 91 91 VAL HG22 H 1 1.057 0.020 . 1 . . . . 180 VAL HG2 . 16743 1 1041 . 1 1 91 91 VAL HG23 H 1 1.057 0.020 . 1 . . . . 180 VAL HG2 . 16743 1 1042 . 1 1 91 91 VAL C C 13 177.102 0.300 . 1 . . . . 180 VAL C . 16743 1 1043 . 1 1 91 91 VAL CA C 13 66.656 0.300 . 1 . . . . 180 VAL CA . 16743 1 1044 . 1 1 91 91 VAL CB C 13 32.035 0.300 . 1 . . . . 180 VAL CB . 16743 1 1045 . 1 1 91 91 VAL CG1 C 13 21.792 0.300 . 1 . . . . 180 VAL CG1 . 16743 1 1046 . 1 1 91 91 VAL CG2 C 13 23.383 0.300 . 1 . . . . 180 VAL CG2 . 16743 1 1047 . 1 1 91 91 VAL N N 15 125.477 0.300 . 1 . . . . 180 VAL N . 16743 1 1048 . 1 1 92 92 ASN H H 1 7.697 0.020 . 1 . . . . 181 ASN H . 16743 1 1049 . 1 1 92 92 ASN HA H 1 4.282 0.020 . 1 . . . . 181 ASN HA . 16743 1 1050 . 1 1 92 92 ASN HB2 H 1 2.799 0.020 . 2 . . . . 181 ASN HB2 . 16743 1 1051 . 1 1 92 92 ASN HB3 H 1 2.711 0.020 . 2 . . . . 181 ASN HB3 . 16743 1 1052 . 1 1 92 92 ASN HD21 H 1 7.623 0.020 . 1 . . . . 181 ASN HD21 . 16743 1 1053 . 1 1 92 92 ASN HD22 H 1 6.785 0.020 . 1 . . . . 181 ASN HD22 . 16743 1 1054 . 1 1 92 92 ASN C C 13 178.468 0.300 . 1 . . . . 181 ASN C . 16743 1 1055 . 1 1 92 92 ASN CA C 13 56.732 0.300 . 1 . . . . 181 ASN CA . 16743 1 1056 . 1 1 92 92 ASN CB C 13 38.864 0.300 . 1 . . . . 181 ASN CB . 16743 1 1057 . 1 1 92 92 ASN N N 15 116.074 0.300 . 1 . . . . 181 ASN N . 16743 1 1058 . 1 1 92 92 ASN ND2 N 15 112.203 0.300 . 1 . . . . 181 ASN ND2 . 16743 1 1059 . 1 1 93 93 ILE H H 1 8.963 0.020 . 1 . . . . 182 ILE H . 16743 1 1060 . 1 1 93 93 ILE HA H 1 3.716 0.020 . 1 . . . . 182 ILE HA . 16743 1 1061 . 1 1 93 93 ILE HB H 1 1.606 0.020 . 1 . . . . 182 ILE HB . 16743 1 1062 . 1 1 93 93 ILE HD11 H 1 0.396 0.020 . 1 . . . . 182 ILE HD1 . 16743 1 1063 . 1 1 93 93 ILE HD12 H 1 0.396 0.020 . 1 . . . . 182 ILE HD1 . 16743 1 1064 . 1 1 93 93 ILE HD13 H 1 0.396 0.020 . 1 . . . . 182 ILE HD1 . 16743 1 1065 . 1 1 93 93 ILE HG12 H 1 0.862 0.020 . 2 . . . . 182 ILE HG12 . 16743 1 1066 . 1 1 93 93 ILE HG13 H 1 0.968 0.020 . 2 . . . . 182 ILE HG13 . 16743 1 1067 . 1 1 93 93 ILE HG21 H 1 0.226 0.020 . 1 . . . . 182 ILE HG2 . 16743 1 1068 . 1 1 93 93 ILE HG22 H 1 0.226 0.020 . 1 . . . . 182 ILE HG2 . 16743 1 1069 . 1 1 93 93 ILE HG23 H 1 0.226 0.020 . 1 . . . . 182 ILE HG2 . 16743 1 1070 . 1 1 93 93 ILE C C 13 177.840 0.300 . 1 . . . . 182 ILE C . 16743 1 1071 . 1 1 93 93 ILE CA C 13 62.499 0.300 . 1 . . . . 182 ILE CA . 16743 1 1072 . 1 1 93 93 ILE CB C 13 36.492 0.300 . 1 . . . . 182 ILE CB . 16743 1 1073 . 1 1 93 93 ILE CD1 C 13 11.624 0.300 . 1 . . . . 182 ILE CD1 . 16743 1 1074 . 1 1 93 93 ILE CG1 C 13 27.832 0.300 . 1 . . . . 182 ILE CG1 . 16743 1 1075 . 1 1 93 93 ILE CG2 C 13 18.422 0.300 . 1 . . . . 182 ILE CG2 . 16743 1 1076 . 1 1 93 93 ILE N N 15 119.656 0.300 . 1 . . . . 182 ILE N . 16743 1 1077 . 1 1 94 94 THR H H 1 8.210 0.020 . 1 . . . . 183 THR H . 16743 1 1078 . 1 1 94 94 THR HA H 1 4.034 0.020 . 1 . . . . 183 THR HA . 16743 1 1079 . 1 1 94 94 THR HB H 1 4.458 0.020 . 1 . . . . 183 THR HB . 16743 1 1080 . 1 1 94 94 THR HG21 H 1 1.410 0.020 . 1 . . . . 183 THR HG2 . 16743 1 1081 . 1 1 94 94 THR HG22 H 1 1.410 0.020 . 1 . . . . 183 THR HG2 . 16743 1 1082 . 1 1 94 94 THR HG23 H 1 1.410 0.020 . 1 . . . . 183 THR HG2 . 16743 1 1083 . 1 1 94 94 THR C C 13 177.244 0.300 . 1 . . . . 183 THR C . 16743 1 1084 . 1 1 94 94 THR CA C 13 68.889 0.300 . 1 . . . . 183 THR CA . 16743 1 1085 . 1 1 94 94 THR CB C 13 68.593 0.300 . 1 . . . . 183 THR CB . 16743 1 1086 . 1 1 94 94 THR CG2 C 13 22.182 0.300 . 1 . . . . 183 THR CG2 . 16743 1 1087 . 1 1 94 94 THR N N 15 118.177 0.300 . 1 . . . . 183 THR N . 16743 1 1088 . 1 1 95 95 ILE H H 1 8.284 0.020 . 1 . . . . 184 ILE H . 16743 1 1089 . 1 1 95 95 ILE HA H 1 3.567 0.020 . 1 . . . . 184 ILE HA . 16743 1 1090 . 1 1 95 95 ILE HB H 1 1.960 0.020 . 1 . . . . 184 ILE HB . 16743 1 1091 . 1 1 95 95 ILE HD11 H 1 0.746 0.020 . 1 . . . . 184 ILE HD1 . 16743 1 1092 . 1 1 95 95 ILE HD12 H 1 0.746 0.020 . 1 . . . . 184 ILE HD1 . 16743 1 1093 . 1 1 95 95 ILE HD13 H 1 0.746 0.020 . 1 . . . . 184 ILE HD1 . 16743 1 1094 . 1 1 95 95 ILE HG12 H 1 1.893 0.020 . 2 . . . . 184 ILE HG12 . 16743 1 1095 . 1 1 95 95 ILE HG13 H 1 1.301 0.020 . 2 . . . . 184 ILE HG13 . 16743 1 1096 . 1 1 95 95 ILE HG21 H 1 0.837 0.020 . 1 . . . . 184 ILE HG2 . 16743 1 1097 . 1 1 95 95 ILE HG22 H 1 0.837 0.020 . 1 . . . . 184 ILE HG2 . 16743 1 1098 . 1 1 95 95 ILE HG23 H 1 0.837 0.020 . 1 . . . . 184 ILE HG2 . 16743 1 1099 . 1 1 95 95 ILE C C 13 178.719 0.300 . 1 . . . . 184 ILE C . 16743 1 1100 . 1 1 95 95 ILE CA C 13 66.728 0.300 . 1 . . . . 184 ILE CA . 16743 1 1101 . 1 1 95 95 ILE CB C 13 37.558 0.300 . 1 . . . . 184 ILE CB . 16743 1 1102 . 1 1 95 95 ILE CD1 C 13 14.206 0.300 . 1 . . . . 184 ILE CD1 . 16743 1 1103 . 1 1 95 95 ILE CG1 C 13 30.669 0.300 . 1 . . . . 184 ILE CG1 . 16743 1 1104 . 1 1 95 95 ILE CG2 C 13 16.947 0.300 . 1 . . . . 184 ILE CG2 . 16743 1 1105 . 1 1 95 95 ILE N N 15 121.031 0.300 . 1 . . . . 184 ILE N . 16743 1 1106 . 1 1 96 96 LYS H H 1 8.307 0.020 . 1 . . . . 185 LYS H . 16743 1 1107 . 1 1 96 96 LYS HA H 1 4.022 0.020 . 1 . . . . 185 LYS HA . 16743 1 1108 . 1 1 96 96 LYS HB2 H 1 1.860 0.020 . 2 . . . . 185 LYS HB2 . 16743 1 1109 . 1 1 96 96 LYS HB3 H 1 1.945 0.020 . 2 . . . . 185 LYS HB3 . 16743 1 1110 . 1 1 96 96 LYS HD2 H 1 1.568 0.020 . 2 . . . . 185 LYS HD2 . 16743 1 1111 . 1 1 96 96 LYS HD3 H 1 1.641 0.020 . 2 . . . . 185 LYS HD3 . 16743 1 1112 . 1 1 96 96 LYS HE2 H 1 2.870 0.020 . 2 . . . . 185 LYS HE2 . 16743 1 1113 . 1 1 96 96 LYS HE3 H 1 2.941 0.020 . 2 . . . . 185 LYS HE3 . 16743 1 1114 . 1 1 96 96 LYS HG2 H 1 1.581 0.020 . 2 . . . . 185 LYS HG2 . 16743 1 1115 . 1 1 96 96 LYS HG3 H 1 1.447 0.020 . 2 . . . . 185 LYS HG3 . 16743 1 1116 . 1 1 96 96 LYS C C 13 179.018 0.300 . 1 . . . . 185 LYS C . 16743 1 1117 . 1 1 96 96 LYS CA C 13 60.073 0.300 . 1 . . . . 185 LYS CA . 16743 1 1118 . 1 1 96 96 LYS CB C 13 32.446 0.300 . 1 . . . . 185 LYS CB . 16743 1 1119 . 1 1 96 96 LYS CD C 13 28.800 0.300 . 1 . . . . 185 LYS CD . 16743 1 1120 . 1 1 96 96 LYS CE C 13 41.857 0.300 . 1 . . . . 185 LYS CE . 16743 1 1121 . 1 1 96 96 LYS CG C 13 25.089 0.300 . 1 . . . . 185 LYS CG . 16743 1 1122 . 1 1 96 96 LYS N N 15 123.259 0.300 . 1 . . . . 185 LYS N . 16743 1 1123 . 1 1 97 97 GLN H H 1 8.707 0.020 . 1 . . . . 186 GLN H . 16743 1 1124 . 1 1 97 97 GLN HA H 1 3.997 0.020 . 1 . . . . 186 GLN HA . 16743 1 1125 . 1 1 97 97 GLN HB2 H 1 1.791 0.020 . 2 . . . . 186 GLN HB2 . 16743 1 1126 . 1 1 97 97 GLN HB3 H 1 1.747 0.020 . 2 . . . . 186 GLN HB3 . 16743 1 1127 . 1 1 97 97 GLN HE21 H 1 6.676 0.020 . 1 . . . . 186 GLN HE21 . 16743 1 1128 . 1 1 97 97 GLN HE22 H 1 6.813 0.020 . 1 . . . . 186 GLN HE22 . 16743 1 1129 . 1 1 97 97 GLN HG2 H 1 2.065 0.020 . 2 . . . . 186 GLN HG2 . 16743 1 1130 . 1 1 97 97 GLN HG3 H 1 1.470 0.020 . 2 . . . . 186 GLN HG3 . 16743 1 1131 . 1 1 97 97 GLN C C 13 178.657 0.300 . 1 . . . . 186 GLN C . 16743 1 1132 . 1 1 97 97 GLN CA C 13 58.094 0.300 . 1 . . . . 186 GLN CA . 16743 1 1133 . 1 1 97 97 GLN CB C 13 27.821 0.300 . 1 . . . . 186 GLN CB . 16743 1 1134 . 1 1 97 97 GLN CG C 13 33.072 0.300 . 1 . . . . 186 GLN CG . 16743 1 1135 . 1 1 97 97 GLN N N 15 117.335 0.300 . 1 . . . . 186 GLN N . 16743 1 1136 . 1 1 97 97 GLN NE2 N 15 109.814 0.300 . 1 . . . . 186 GLN NE2 . 16743 1 1137 . 1 1 98 98 HIS H H 1 8.455 0.020 . 1 . . . . 187 HIS H . 16743 1 1138 . 1 1 98 98 HIS HA H 1 4.526 0.020 . 1 . . . . 187 HIS HA . 16743 1 1139 . 1 1 98 98 HIS HB2 H 1 3.357 0.020 . 2 . . . . 187 HIS HB2 . 16743 1 1140 . 1 1 98 98 HIS HB3 H 1 3.053 0.020 . 2 . . . . 187 HIS HB3 . 16743 1 1141 . 1 1 98 98 HIS HD2 H 1 7.349 0.020 . 1 . . . . 187 HIS HD2 . 16743 1 1142 . 1 1 98 98 HIS C C 13 178.531 0.300 . 1 . . . . 187 HIS C . 16743 1 1143 . 1 1 98 98 HIS CA C 13 59.863 0.300 . 1 . . . . 187 HIS CA . 16743 1 1144 . 1 1 98 98 HIS CB C 13 32.176 0.300 . 1 . . . . 187 HIS CB . 16743 1 1145 . 1 1 98 98 HIS CD2 C 13 119.977 0.300 . 1 . . . . 187 HIS CD2 . 16743 1 1146 . 1 1 98 98 HIS N N 15 119.800 0.300 . 1 . . . . 187 HIS N . 16743 1 1147 . 1 1 99 99 THR H H 1 8.387 0.020 . 1 . . . . 188 THR H . 16743 1 1148 . 1 1 99 99 THR HA H 1 3.990 0.020 . 1 . . . . 188 THR HA . 16743 1 1149 . 1 1 99 99 THR HB H 1 4.218 0.020 . 1 . . . . 188 THR HB . 16743 1 1150 . 1 1 99 99 THR HG21 H 1 1.209 0.020 . 1 . . . . 188 THR HG2 . 16743 1 1151 . 1 1 99 99 THR HG22 H 1 1.209 0.020 . 1 . . . . 188 THR HG2 . 16743 1 1152 . 1 1 99 99 THR HG23 H 1 1.209 0.020 . 1 . . . . 188 THR HG2 . 16743 1 1153 . 1 1 99 99 THR C C 13 176.396 0.300 . 1 . . . . 188 THR C . 16743 1 1154 . 1 1 99 99 THR CA C 13 66.593 0.300 . 1 . . . . 188 THR CA . 16743 1 1155 . 1 1 99 99 THR CB C 13 68.876 0.300 . 1 . . . . 188 THR CB . 16743 1 1156 . 1 1 99 99 THR CG2 C 13 21.095 0.300 . 1 . . . . 188 THR CG2 . 16743 1 1157 . 1 1 99 99 THR N N 15 114.214 0.300 . 1 . . . . 188 THR N . 16743 1 1158 . 1 1 100 100 VAL H H 1 8.081 0.020 . 1 . . . . 189 VAL H . 16743 1 1159 . 1 1 100 100 VAL HA H 1 3.845 0.020 . 1 . . . . 189 VAL HA . 16743 1 1160 . 1 1 100 100 VAL HB H 1 2.201 0.020 . 1 . . . . 189 VAL HB . 16743 1 1161 . 1 1 100 100 VAL HG11 H 1 1.021 0.020 . 1 . . . . 189 VAL HG1 . 16743 1 1162 . 1 1 100 100 VAL HG12 H 1 1.021 0.020 . 1 . . . . 189 VAL HG1 . 16743 1 1163 . 1 1 100 100 VAL HG13 H 1 1.021 0.020 . 1 . . . . 189 VAL HG1 . 16743 1 1164 . 1 1 100 100 VAL HG21 H 1 0.917 0.020 . 1 . . . . 189 VAL HG2 . 16743 1 1165 . 1 1 100 100 VAL HG22 H 1 0.917 0.020 . 1 . . . . 189 VAL HG2 . 16743 1 1166 . 1 1 100 100 VAL HG23 H 1 0.917 0.020 . 1 . . . . 189 VAL HG2 . 16743 1 1167 . 1 1 100 100 VAL C C 13 178.437 0.300 . 1 . . . . 189 VAL C . 16743 1 1168 . 1 1 100 100 VAL CA C 13 66.138 0.300 . 1 . . . . 189 VAL CA . 16743 1 1169 . 1 1 100 100 VAL CB C 13 32.095 0.300 . 1 . . . . 189 VAL CB . 16743 1 1170 . 1 1 100 100 VAL CG1 C 13 22.177 0.300 . 1 . . . . 189 VAL CG1 . 16743 1 1171 . 1 1 100 100 VAL CG2 C 13 21.046 0.300 . 1 . . . . 189 VAL CG2 . 16743 1 1172 . 1 1 100 100 VAL N N 15 122.945 0.300 . 1 . . . . 189 VAL N . 16743 1 1173 . 1 1 101 101 THR H H 1 8.173 0.020 . 1 . . . . 190 THR H . 16743 1 1174 . 1 1 101 101 THR HA H 1 4.061 0.020 . 1 . . . . 190 THR HA . 16743 1 1175 . 1 1 101 101 THR HB H 1 4.313 0.020 . 1 . . . . 190 THR HB . 16743 1 1176 . 1 1 101 101 THR HG21 H 1 1.262 0.020 . 1 . . . . 190 THR HG2 . 16743 1 1177 . 1 1 101 101 THR HG22 H 1 1.262 0.020 . 1 . . . . 190 THR HG2 . 16743 1 1178 . 1 1 101 101 THR HG23 H 1 1.262 0.020 . 1 . . . . 190 THR HG2 . 16743 1 1179 . 1 1 101 101 THR C C 13 176.521 0.300 . 1 . . . . 190 THR C . 16743 1 1180 . 1 1 101 101 THR CA C 13 65.307 0.300 . 1 . . . . 190 THR CA . 16743 1 1181 . 1 1 101 101 THR CB C 13 69.175 0.300 . 1 . . . . 190 THR CB . 16743 1 1182 . 1 1 101 101 THR CG2 C 13 21.715 0.300 . 1 . . . . 190 THR CG2 . 16743 1 1183 . 1 1 101 101 THR N N 15 114.956 0.300 . 1 . . . . 190 THR N . 16743 1 1184 . 1 1 102 102 THR H H 1 7.947 0.020 . 1 . . . . 191 THR H . 16743 1 1185 . 1 1 102 102 THR HA H 1 3.987 0.020 . 1 . . . . 191 THR HA . 16743 1 1186 . 1 1 102 102 THR HB H 1 4.220 0.020 . 1 . . . . 191 THR HB . 16743 1 1187 . 1 1 102 102 THR HG21 H 1 0.844 0.020 . 1 . . . . 191 THR HG2 . 16743 1 1188 . 1 1 102 102 THR HG22 H 1 0.844 0.020 . 1 . . . . 191 THR HG2 . 16743 1 1189 . 1 1 102 102 THR HG23 H 1 0.844 0.020 . 1 . . . . 191 THR HG2 . 16743 1 1190 . 1 1 102 102 THR C C 13 176.694 0.300 . 1 . . . . 191 THR C . 16743 1 1191 . 1 1 102 102 THR CA C 13 65.320 0.300 . 1 . . . . 191 THR CA . 16743 1 1192 . 1 1 102 102 THR CB C 13 69.027 0.300 . 1 . . . . 191 THR CB . 16743 1 1193 . 1 1 102 102 THR CG2 C 13 21.164 0.300 . 1 . . . . 191 THR CG2 . 16743 1 1194 . 1 1 102 102 THR N N 15 115.076 0.300 . 1 . . . . 191 THR N . 16743 1 1195 . 1 1 103 103 THR H H 1 8.230 0.020 . 1 . . . . 192 THR H . 16743 1 1196 . 1 1 103 103 THR HA H 1 4.364 0.020 . 1 . . . . 192 THR HA . 16743 1 1197 . 1 1 103 103 THR HB H 1 4.317 0.020 . 1 . . . . 192 THR HB . 16743 1 1198 . 1 1 103 103 THR HG21 H 1 1.291 0.020 . 1 . . . . 192 THR HG2 . 16743 1 1199 . 1 1 103 103 THR HG22 H 1 1.291 0.020 . 1 . . . . 192 THR HG2 . 16743 1 1200 . 1 1 103 103 THR HG23 H 1 1.291 0.020 . 1 . . . . 192 THR HG2 . 16743 1 1201 . 1 1 103 103 THR C C 13 177.746 0.300 . 1 . . . . 192 THR C . 16743 1 1202 . 1 1 103 103 THR CA C 13 65.241 0.300 . 1 . . . . 192 THR CA . 16743 1 1203 . 1 1 103 103 THR CB C 13 69.038 0.300 . 1 . . . . 192 THR CB . 16743 1 1204 . 1 1 103 103 THR CG2 C 13 21.672 0.300 . 1 . . . . 192 THR CG2 . 16743 1 1205 . 1 1 103 103 THR N N 15 117.708 0.300 . 1 . . . . 192 THR N . 16743 1 1206 . 1 1 104 104 THR H H 1 7.845 0.020 . 1 . . . . 193 THR H . 16743 1 1207 . 1 1 104 104 THR HA H 1 4.147 0.020 . 1 . . . . 193 THR HA . 16743 1 1208 . 1 1 104 104 THR HB H 1 4.278 0.020 . 1 . . . . 193 THR HB . 16743 1 1209 . 1 1 104 104 THR HG21 H 1 1.296 0.020 . 1 . . . . 193 THR HG2 . 16743 1 1210 . 1 1 104 104 THR HG22 H 1 1.296 0.020 . 1 . . . . 193 THR HG2 . 16743 1 1211 . 1 1 104 104 THR HG23 H 1 1.296 0.020 . 1 . . . . 193 THR HG2 . 16743 1 1212 . 1 1 104 104 THR C C 13 175.077 0.300 . 1 . . . . 193 THR C . 16743 1 1213 . 1 1 104 104 THR CA C 13 64.495 0.300 . 1 . . . . 193 THR CA . 16743 1 1214 . 1 1 104 104 THR CB C 13 69.019 0.300 . 1 . . . . 193 THR CB . 16743 1 1215 . 1 1 104 104 THR CG2 C 13 21.489 0.300 . 1 . . . . 193 THR CG2 . 16743 1 1216 . 1 1 104 104 THR N N 15 116.307 0.300 . 1 . . . . 193 THR N . 16743 1 1217 . 1 1 105 105 LYS H H 1 7.557 0.020 . 1 . . . . 194 LYS H . 16743 1 1218 . 1 1 105 105 LYS HA H 1 4.315 0.020 . 1 . . . . 194 LYS HA . 16743 1 1219 . 1 1 105 105 LYS HB2 H 1 1.856 0.020 . 2 . . . . 194 LYS HB2 . 16743 1 1220 . 1 1 105 105 LYS HB3 H 1 2.054 0.020 . 2 . . . . 194 LYS HB3 . 16743 1 1221 . 1 1 105 105 LYS HD2 H 1 1.624 0.020 . 2 . . . . 194 LYS HD2 . 16743 1 1222 . 1 1 105 105 LYS HD3 H 1 1.652 0.020 . 2 . . . . 194 LYS HD3 . 16743 1 1223 . 1 1 105 105 LYS HE2 H 1 2.880 0.020 . 2 . . . . 194 LYS HE2 . 16743 1 1224 . 1 1 105 105 LYS HE3 H 1 2.898 0.020 . 2 . . . . 194 LYS HE3 . 16743 1 1225 . 1 1 105 105 LYS HG2 H 1 1.457 0.020 . 2 . . . . 194 LYS HG2 . 16743 1 1226 . 1 1 105 105 LYS HG3 H 1 1.441 0.020 . 2 . . . . 194 LYS HG3 . 16743 1 1227 . 1 1 105 105 LYS C C 13 176.772 0.300 . 1 . . . . 194 LYS C . 16743 1 1228 . 1 1 105 105 LYS CA C 13 56.351 0.300 . 1 . . . . 194 LYS CA . 16743 1 1229 . 1 1 105 105 LYS CB C 13 32.474 0.300 . 1 . . . . 194 LYS CB . 16743 1 1230 . 1 1 105 105 LYS CD C 13 29.153 0.300 . 1 . . . . 194 LYS CD . 16743 1 1231 . 1 1 105 105 LYS CE C 13 41.800 0.300 . 1 . . . . 194 LYS CE . 16743 1 1232 . 1 1 105 105 LYS CG C 13 24.760 0.300 . 1 . . . . 194 LYS CG . 16743 1 1233 . 1 1 105 105 LYS N N 15 120.035 0.300 . 1 . . . . 194 LYS N . 16743 1 1234 . 1 1 106 106 GLY H H 1 7.968 0.020 . 1 . . . . 195 GLY H . 16743 1 1235 . 1 1 106 106 GLY HA2 H 1 4.134 0.020 . 2 . . . . 195 GLY HA2 . 16743 1 1236 . 1 1 106 106 GLY HA3 H 1 3.749 0.020 . 2 . . . . 195 GLY HA3 . 16743 1 1237 . 1 1 106 106 GLY C C 13 174.198 0.300 . 1 . . . . 195 GLY C . 16743 1 1238 . 1 1 106 106 GLY CA C 13 45.369 0.300 . 1 . . . . 195 GLY CA . 16743 1 1239 . 1 1 106 106 GLY N N 15 107.975 0.300 . 1 . . . . 195 GLY N . 16743 1 1240 . 1 1 107 107 GLU H H 1 7.434 0.020 . 1 . . . . 196 GLU H . 16743 1 1241 . 1 1 107 107 GLU HA H 1 4.252 0.020 . 1 . . . . 196 GLU HA . 16743 1 1242 . 1 1 107 107 GLU HB2 H 1 1.520 0.020 . 2 . . . . 196 GLU HB2 . 16743 1 1243 . 1 1 107 107 GLU HB3 H 1 1.522 0.020 . 2 . . . . 196 GLU HB3 . 16743 1 1244 . 1 1 107 107 GLU HG2 H 1 2.054 0.020 . 2 . . . . 196 GLU HG2 . 16743 1 1245 . 1 1 107 107 GLU HG3 H 1 2.008 0.020 . 2 . . . . 196 GLU HG3 . 16743 1 1246 . 1 1 107 107 GLU C C 13 174.888 0.300 . 1 . . . . 196 GLU C . 16743 1 1247 . 1 1 107 107 GLU CA C 13 55.464 0.300 . 1 . . . . 196 GLU CA . 16743 1 1248 . 1 1 107 107 GLU CB C 13 31.390 0.300 . 1 . . . . 196 GLU CB . 16743 1 1249 . 1 1 107 107 GLU CG C 13 36.041 0.300 . 1 . . . . 196 GLU CG . 16743 1 1250 . 1 1 107 107 GLU N N 15 119.895 0.300 . 1 . . . . 196 GLU N . 16743 1 1251 . 1 1 108 108 ASN H H 1 8.418 0.020 . 1 . . . . 197 ASN H . 16743 1 1252 . 1 1 108 108 ASN HA H 1 4.642 0.020 . 1 . . . . 197 ASN HA . 16743 1 1253 . 1 1 108 108 ASN HB2 H 1 2.546 0.020 . 2 . . . . 197 ASN HB2 . 16743 1 1254 . 1 1 108 108 ASN HB3 H 1 2.578 0.020 . 2 . . . . 197 ASN HB3 . 16743 1 1255 . 1 1 108 108 ASN HD21 H 1 6.801 0.020 . 1 . . . . 197 ASN HD21 . 16743 1 1256 . 1 1 108 108 ASN HD22 H 1 7.559 0.020 . 1 . . . . 197 ASN HD22 . 16743 1 1257 . 1 1 108 108 ASN C C 13 173.711 0.300 . 1 . . . . 197 ASN C . 16743 1 1258 . 1 1 108 108 ASN CA C 13 52.678 0.300 . 1 . . . . 197 ASN CA . 16743 1 1259 . 1 1 108 108 ASN CB C 13 41.311 0.300 . 1 . . . . 197 ASN CB . 16743 1 1260 . 1 1 108 108 ASN N N 15 118.805 0.300 . 1 . . . . 197 ASN N . 16743 1 1261 . 1 1 108 108 ASN ND2 N 15 113.182 0.300 . 1 . . . . 197 ASN ND2 . 16743 1 1262 . 1 1 109 109 PHE H H 1 8.727 0.020 . 1 . . . . 198 PHE H . 16743 1 1263 . 1 1 109 109 PHE HA H 1 5.372 0.020 . 1 . . . . 198 PHE HA . 16743 1 1264 . 1 1 109 109 PHE HB2 H 1 3.093 0.020 . 2 . . . . 198 PHE HB2 . 16743 1 1265 . 1 1 109 109 PHE HB3 H 1 2.877 0.020 . 2 . . . . 198 PHE HB3 . 16743 1 1266 . 1 1 109 109 PHE HD1 H 1 7.307 0.020 . 1 . . . . 198 PHE HD1 . 16743 1 1267 . 1 1 109 109 PHE HD2 H 1 7.307 0.020 . 1 . . . . 198 PHE HD2 . 16743 1 1268 . 1 1 109 109 PHE HE1 H 1 7.506 0.020 . 1 . . . . 198 PHE HE1 . 16743 1 1269 . 1 1 109 109 PHE HE2 H 1 7.506 0.020 . 1 . . . . 198 PHE HE2 . 16743 1 1270 . 1 1 109 109 PHE HZ H 1 7.382 0.020 . 1 . . . . 198 PHE HZ . 16743 1 1271 . 1 1 109 109 PHE C C 13 176.490 0.300 . 1 . . . . 198 PHE C . 16743 1 1272 . 1 1 109 109 PHE CA C 13 56.378 0.300 . 1 . . . . 198 PHE CA . 16743 1 1273 . 1 1 109 109 PHE CB C 13 40.543 0.300 . 1 . . . . 198 PHE CB . 16743 1 1274 . 1 1 109 109 PHE CD1 C 13 131.081 0.300 . 1 . . . . 198 PHE CD1 . 16743 1 1275 . 1 1 109 109 PHE CD2 C 13 131.081 0.300 . 1 . . . . 198 PHE CD2 . 16743 1 1276 . 1 1 109 109 PHE CE1 C 13 130.392 0.300 . 1 . . . . 198 PHE CE1 . 16743 1 1277 . 1 1 109 109 PHE CE2 C 13 130.392 0.300 . 1 . . . . 198 PHE CE2 . 16743 1 1278 . 1 1 109 109 PHE CZ C 13 131.304 0.300 . 1 . . . . 198 PHE CZ . 16743 1 1279 . 1 1 109 109 PHE N N 15 121.345 0.300 . 1 . . . . 198 PHE N . 16743 1 1280 . 1 1 110 110 THR H H 1 9.630 0.020 . 1 . . . . 199 THR H . 16743 1 1281 . 1 1 110 110 THR HA H 1 4.622 0.020 . 1 . . . . 199 THR HA . 16743 1 1282 . 1 1 110 110 THR HB H 1 4.800 0.020 . 1 . . . . 199 THR HB . 16743 1 1283 . 1 1 110 110 THR HG21 H 1 1.369 0.020 . 1 . . . . 199 THR HG2 . 16743 1 1284 . 1 1 110 110 THR HG22 H 1 1.369 0.020 . 1 . . . . 199 THR HG2 . 16743 1 1285 . 1 1 110 110 THR HG23 H 1 1.369 0.020 . 1 . . . . 199 THR HG2 . 16743 1 1286 . 1 1 110 110 THR C C 13 175.595 0.300 . 1 . . . . 199 THR C . 16743 1 1287 . 1 1 110 110 THR CA C 13 60.271 0.300 . 1 . . . . 199 THR CA . 16743 1 1288 . 1 1 110 110 THR CB C 13 72.177 0.300 . 1 . . . . 199 THR CB . 16743 1 1289 . 1 1 110 110 THR CG2 C 13 21.609 0.300 . 1 . . . . 199 THR CG2 . 16743 1 1290 . 1 1 110 110 THR N N 15 115.772 0.300 . 1 . . . . 199 THR N . 16743 1 1291 . 1 1 111 111 GLU H H 1 9.139 0.020 . 1 . . . . 200 GLU H . 16743 1 1292 . 1 1 111 111 GLU HA H 1 4.027 0.020 . 1 . . . . 200 GLU HA . 16743 1 1293 . 1 1 111 111 GLU HB2 H 1 2.080 0.020 . 1 . . . . 200 GLU HB2 . 16743 1 1294 . 1 1 111 111 GLU HB3 H 1 2.080 0.020 . 1 . . . . 200 GLU HB3 . 16743 1 1295 . 1 1 111 111 GLU HG2 H 1 2.348 0.020 . 2 . . . . 200 GLU HG2 . 16743 1 1296 . 1 1 111 111 GLU HG3 H 1 2.274 0.020 . 2 . . . . 200 GLU HG3 . 16743 1 1297 . 1 1 111 111 GLU C C 13 179.175 0.300 . 1 . . . . 200 GLU C . 16743 1 1298 . 1 1 111 111 GLU CA C 13 60.090 0.300 . 1 . . . . 200 GLU CA . 16743 1 1299 . 1 1 111 111 GLU CB C 13 29.204 0.300 . 1 . . . . 200 GLU CB . 16743 1 1300 . 1 1 111 111 GLU CG C 13 36.478 0.300 . 1 . . . . 200 GLU CG . 16743 1 1301 . 1 1 111 111 GLU N N 15 119.952 0.300 . 1 . . . . 200 GLU N . 16743 1 1302 . 1 1 112 112 THR H H 1 7.957 0.020 . 1 . . . . 201 THR H . 16743 1 1303 . 1 1 112 112 THR HA H 1 3.775 0.020 . 1 . . . . 201 THR HA . 16743 1 1304 . 1 1 112 112 THR HB H 1 3.715 0.020 . 1 . . . . 201 THR HB . 16743 1 1305 . 1 1 112 112 THR HG21 H 1 0.670 0.020 . 1 . . . . 201 THR HG2 . 16743 1 1306 . 1 1 112 112 THR HG22 H 1 0.670 0.020 . 1 . . . . 201 THR HG2 . 16743 1 1307 . 1 1 112 112 THR HG23 H 1 0.670 0.020 . 1 . . . . 201 THR HG2 . 16743 1 1308 . 1 1 112 112 THR C C 13 175.736 0.300 . 1 . . . . 201 THR C . 16743 1 1309 . 1 1 112 112 THR CA C 13 66.776 0.300 . 1 . . . . 201 THR CA . 16743 1 1310 . 1 1 112 112 THR CB C 13 68.635 0.300 . 1 . . . . 201 THR CB . 16743 1 1311 . 1 1 112 112 THR CG2 C 13 21.011 0.300 . 1 . . . . 201 THR CG2 . 16743 1 1312 . 1 1 112 112 THR N N 15 116.283 0.300 . 1 . . . . 201 THR N . 16743 1 1313 . 1 1 113 113 ASP H H 1 7.492 0.020 . 1 . . . . 202 ASP H . 16743 1 1314 . 1 1 113 113 ASP HA H 1 4.532 0.020 . 1 . . . . 202 ASP HA . 16743 1 1315 . 1 1 113 113 ASP HB2 H 1 3.376 0.020 . 2 . . . . 202 ASP HB2 . 16743 1 1316 . 1 1 113 113 ASP HB3 H 1 2.689 0.020 . 2 . . . . 202 ASP HB3 . 16743 1 1317 . 1 1 113 113 ASP C C 13 176.333 0.300 . 1 . . . . 202 ASP C . 16743 1 1318 . 1 1 113 113 ASP CA C 13 58.157 0.300 . 1 . . . . 202 ASP CA . 16743 1 1319 . 1 1 113 113 ASP CB C 13 41.817 0.300 . 1 . . . . 202 ASP CB . 16743 1 1320 . 1 1 113 113 ASP N N 15 119.963 0.300 . 1 . . . . 202 ASP N . 16743 1 1321 . 1 1 114 114 VAL H H 1 8.138 0.020 . 1 . . . . 203 VAL H . 16743 1 1322 . 1 1 114 114 VAL HA H 1 3.246 0.020 . 1 . . . . 203 VAL HA . 16743 1 1323 . 1 1 114 114 VAL HB H 1 2.071 0.020 . 1 . . . . 203 VAL HB . 16743 1 1324 . 1 1 114 114 VAL HG11 H 1 0.858 0.020 . 1 . . . . 203 VAL HG1 . 16743 1 1325 . 1 1 114 114 VAL HG12 H 1 0.858 0.020 . 1 . . . . 203 VAL HG1 . 16743 1 1326 . 1 1 114 114 VAL HG13 H 1 0.858 0.020 . 1 . . . . 203 VAL HG1 . 16743 1 1327 . 1 1 114 114 VAL HG21 H 1 0.896 0.020 . 1 . . . . 203 VAL HG2 . 16743 1 1328 . 1 1 114 114 VAL HG22 H 1 0.896 0.020 . 1 . . . . 203 VAL HG2 . 16743 1 1329 . 1 1 114 114 VAL HG23 H 1 0.896 0.020 . 1 . . . . 203 VAL HG2 . 16743 1 1330 . 1 1 114 114 VAL C C 13 177.369 0.300 . 1 . . . . 203 VAL C . 16743 1 1331 . 1 1 114 114 VAL CA C 13 67.971 0.300 . 1 . . . . 203 VAL CA . 16743 1 1332 . 1 1 114 114 VAL CB C 13 31.481 0.300 . 1 . . . . 203 VAL CB . 16743 1 1333 . 1 1 114 114 VAL CG1 C 13 21.333 0.300 . 1 . . . . 203 VAL CG1 . 16743 1 1334 . 1 1 114 114 VAL CG2 C 13 22.671 0.300 . 1 . . . . 203 VAL CG2 . 16743 1 1335 . 1 1 114 114 VAL N N 15 120.148 0.300 . 1 . . . . 203 VAL N . 16743 1 1336 . 1 1 115 115 LYS H H 1 7.722 0.020 . 1 . . . . 204 LYS H . 16743 1 1337 . 1 1 115 115 LYS HA H 1 4.041 0.020 . 1 . . . . 204 LYS HA . 16743 1 1338 . 1 1 115 115 LYS HB2 H 1 1.945 0.020 . 2 . . . . 204 LYS HB2 . 16743 1 1339 . 1 1 115 115 LYS HB3 H 1 1.890 0.020 . 2 . . . . 204 LYS HB3 . 16743 1 1340 . 1 1 115 115 LYS HD2 H 1 1.659 0.020 . 1 . . . . 204 LYS HD2 . 16743 1 1341 . 1 1 115 115 LYS HD3 H 1 1.659 0.020 . 1 . . . . 204 LYS HD3 . 16743 1 1342 . 1 1 115 115 LYS HE2 H 1 2.920 0.020 . 2 . . . . 204 LYS HE2 . 16743 1 1343 . 1 1 115 115 LYS HE3 H 1 2.906 0.020 . 2 . . . . 204 LYS HE3 . 16743 1 1344 . 1 1 115 115 LYS HG2 H 1 1.447 0.020 . 2 . . . . 204 LYS HG2 . 16743 1 1345 . 1 1 115 115 LYS HG3 H 1 1.591 0.020 . 2 . . . . 204 LYS HG3 . 16743 1 1346 . 1 1 115 115 LYS C C 13 180.274 0.300 . 1 . . . . 204 LYS C . 16743 1 1347 . 1 1 115 115 LYS CA C 13 59.133 0.300 . 1 . . . . 204 LYS CA . 16743 1 1348 . 1 1 115 115 LYS CB C 13 31.850 0.300 . 1 . . . . 204 LYS CB . 16743 1 1349 . 1 1 115 115 LYS CD C 13 28.885 0.300 . 1 . . . . 204 LYS CD . 16743 1 1350 . 1 1 115 115 LYS CE C 13 41.685 0.300 . 1 . . . . 204 LYS CE . 16743 1 1351 . 1 1 115 115 LYS CG C 13 24.941 0.300 . 1 . . . . 204 LYS CG . 16743 1 1352 . 1 1 115 115 LYS N N 15 118.865 0.300 . 1 . . . . 204 LYS N . 16743 1 1353 . 1 1 116 116 MET H H 1 8.185 0.020 . 1 . . . . 205 MET H . 16743 1 1354 . 1 1 116 116 MET HA H 1 4.150 0.020 . 1 . . . . 205 MET HA . 16743 1 1355 . 1 1 116 116 MET HB2 H 1 2.290 0.020 . 2 . . . . 205 MET HB2 . 16743 1 1356 . 1 1 116 116 MET HB3 H 1 1.930 0.020 . 2 . . . . 205 MET HB3 . 16743 1 1357 . 1 1 116 116 MET HE1 H 1 1.564 0.020 . 1 . . . . 205 MET HE . 16743 1 1358 . 1 1 116 116 MET HE2 H 1 1.564 0.020 . 1 . . . . 205 MET HE . 16743 1 1359 . 1 1 116 116 MET HE3 H 1 1.564 0.020 . 1 . . . . 205 MET HE . 16743 1 1360 . 1 1 116 116 MET HG2 H 1 2.368 0.020 . 2 . . . . 205 MET HG2 . 16743 1 1361 . 1 1 116 116 MET HG3 H 1 2.998 0.020 . 2 . . . . 205 MET HG3 . 16743 1 1362 . 1 1 116 116 MET C C 13 178.248 0.300 . 1 . . . . 205 MET C . 16743 1 1363 . 1 1 116 116 MET CA C 13 59.487 0.300 . 1 . . . . 205 MET CA . 16743 1 1364 . 1 1 116 116 MET CB C 13 32.604 0.300 . 1 . . . . 205 MET CB . 16743 1 1365 . 1 1 116 116 MET CE C 13 18.147 0.300 . 1 . . . . 205 MET CE . 16743 1 1366 . 1 1 116 116 MET CG C 13 34.111 0.300 . 1 . . . . 205 MET CG . 16743 1 1367 . 1 1 116 116 MET N N 15 118.262 0.300 . 1 . . . . 205 MET N . 16743 1 1368 . 1 1 117 117 MET H H 1 8.604 0.020 . 1 . . . . 206 MET H . 16743 1 1369 . 1 1 117 117 MET HA H 1 3.486 0.020 . 1 . . . . 206 MET HA . 16743 1 1370 . 1 1 117 117 MET HB2 H 1 2.201 0.020 . 2 . . . . 206 MET HB2 . 16743 1 1371 . 1 1 117 117 MET HB3 H 1 1.473 0.020 . 2 . . . . 206 MET HB3 . 16743 1 1372 . 1 1 117 117 MET HE1 H 1 1.265 0.020 . 1 . . . . 206 MET HE . 16743 1 1373 . 1 1 117 117 MET HE2 H 1 1.265 0.020 . 1 . . . . 206 MET HE . 16743 1 1374 . 1 1 117 117 MET HE3 H 1 1.265 0.020 . 1 . . . . 206 MET HE . 16743 1 1375 . 1 1 117 117 MET HG2 H 1 1.885 0.020 . 2 . . . . 206 MET HG2 . 16743 1 1376 . 1 1 117 117 MET HG3 H 1 1.566 0.020 . 2 . . . . 206 MET HG3 . 16743 1 1377 . 1 1 117 117 MET C C 13 178.186 0.300 . 1 . . . . 206 MET C . 16743 1 1378 . 1 1 117 117 MET CA C 13 60.681 0.300 . 1 . . . . 206 MET CA . 16743 1 1379 . 1 1 117 117 MET CB C 13 34.302 0.300 . 1 . . . . 206 MET CB . 16743 1 1380 . 1 1 117 117 MET CE C 13 16.826 0.300 . 1 . . . . 206 MET CE . 16743 1 1381 . 1 1 117 117 MET CG C 13 32.295 0.300 . 1 . . . . 206 MET CG . 16743 1 1382 . 1 1 117 117 MET N N 15 117.517 0.300 . 1 . . . . 206 MET N . 16743 1 1383 . 1 1 118 118 GLU H H 1 8.337 0.020 . 1 . . . . 207 GLU H . 16743 1 1384 . 1 1 118 118 GLU HA H 1 3.654 0.020 . 1 . . . . 207 GLU HA . 16743 1 1385 . 1 1 118 118 GLU HB2 H 1 2.283 0.020 . 2 . . . . 207 GLU HB2 . 16743 1 1386 . 1 1 118 118 GLU HB3 H 1 2.018 0.020 . 2 . . . . 207 GLU HB3 . 16743 1 1387 . 1 1 118 118 GLU HG2 H 1 2.229 0.020 . 2 . . . . 207 GLU HG2 . 16743 1 1388 . 1 1 118 118 GLU HG3 H 1 2.521 0.020 . 2 . . . . 207 GLU HG3 . 16743 1 1389 . 1 1 118 118 GLU C C 13 178.531 0.300 . 1 . . . . 207 GLU C . 16743 1 1390 . 1 1 118 118 GLU CA C 13 60.805 0.300 . 1 . . . . 207 GLU CA . 16743 1 1391 . 1 1 118 118 GLU CB C 13 29.017 0.300 . 1 . . . . 207 GLU CB . 16743 1 1392 . 1 1 118 118 GLU CG C 13 36.312 0.300 . 1 . . . . 207 GLU CG . 16743 1 1393 . 1 1 118 118 GLU N N 15 119.219 0.300 . 1 . . . . 207 GLU N . 16743 1 1394 . 1 1 119 119 ARG H H 1 7.253 0.020 . 1 . . . . 208 ARG H . 16743 1 1395 . 1 1 119 119 ARG HA H 1 4.116 0.020 . 1 . . . . 208 ARG HA . 16743 1 1396 . 1 1 119 119 ARG HB2 H 1 2.116 0.020 . 2 . . . . 208 ARG HB2 . 16743 1 1397 . 1 1 119 119 ARG HB3 H 1 2.084 0.020 . 2 . . . . 208 ARG HB3 . 16743 1 1398 . 1 1 119 119 ARG HD2 H 1 3.183 0.020 . 2 . . . . 208 ARG HD2 . 16743 1 1399 . 1 1 119 119 ARG HD3 H 1 3.136 0.020 . 2 . . . . 208 ARG HD3 . 16743 1 1400 . 1 1 119 119 ARG HG2 H 1 1.762 0.020 . 2 . . . . 208 ARG HG2 . 16743 1 1401 . 1 1 119 119 ARG HG3 H 1 1.828 0.020 . 2 . . . . 208 ARG HG3 . 16743 1 1402 . 1 1 119 119 ARG C C 13 177.510 0.300 . 1 . . . . 208 ARG C . 16743 1 1403 . 1 1 119 119 ARG CA C 13 57.528 0.300 . 1 . . . . 208 ARG CA . 16743 1 1404 . 1 1 119 119 ARG CB C 13 29.608 0.300 . 1 . . . . 208 ARG CB . 16743 1 1405 . 1 1 119 119 ARG CD C 13 42.418 0.300 . 1 . . . . 208 ARG CD . 16743 1 1406 . 1 1 119 119 ARG CG C 13 26.897 0.300 . 1 . . . . 208 ARG CG . 16743 1 1407 . 1 1 119 119 ARG N N 15 116.185 0.300 . 1 . . . . 208 ARG N . 16743 1 1408 . 1 1 120 120 VAL H H 1 7.721 0.020 . 1 . . . . 209 VAL H . 16743 1 1409 . 1 1 120 120 VAL HA H 1 3.876 0.020 . 1 . . . . 209 VAL HA . 16743 1 1410 . 1 1 120 120 VAL HB H 1 1.878 0.020 . 1 . . . . 209 VAL HB . 16743 1 1411 . 1 1 120 120 VAL HG11 H 1 1.327 0.020 . 1 . . . . 209 VAL HG1 . 16743 1 1412 . 1 1 120 120 VAL HG12 H 1 1.327 0.020 . 1 . . . . 209 VAL HG1 . 16743 1 1413 . 1 1 120 120 VAL HG13 H 1 1.327 0.020 . 1 . . . . 209 VAL HG1 . 16743 1 1414 . 1 1 120 120 VAL HG21 H 1 1.118 0.020 . 1 . . . . 209 VAL HG2 . 16743 1 1415 . 1 1 120 120 VAL HG22 H 1 1.118 0.020 . 1 . . . . 209 VAL HG2 . 16743 1 1416 . 1 1 120 120 VAL HG23 H 1 1.118 0.020 . 1 . . . . 209 VAL HG2 . 16743 1 1417 . 1 1 120 120 VAL C C 13 176.725 0.300 . 1 . . . . 209 VAL C . 16743 1 1418 . 1 1 120 120 VAL CA C 13 64.735 0.300 . 1 . . . . 209 VAL CA . 16743 1 1419 . 1 1 120 120 VAL CB C 13 33.133 0.300 . 1 . . . . 209 VAL CB . 16743 1 1420 . 1 1 120 120 VAL CG1 C 13 23.953 0.300 . 1 . . . . 209 VAL CG1 . 16743 1 1421 . 1 1 120 120 VAL CG2 C 13 21.876 0.300 . 1 . . . . 209 VAL CG2 . 16743 1 1422 . 1 1 120 120 VAL N N 15 116.405 0.300 . 1 . . . . 209 VAL N . 16743 1 1423 . 1 1 121 121 VAL H H 1 8.641 0.020 . 1 . . . . 210 VAL H . 16743 1 1424 . 1 1 121 121 VAL HA H 1 3.920 0.020 . 1 . . . . 210 VAL HA . 16743 1 1425 . 1 1 121 121 VAL HB H 1 2.192 0.020 . 1 . . . . 210 VAL HB . 16743 1 1426 . 1 1 121 121 VAL HG11 H 1 1.118 0.020 . 1 . . . . 210 VAL HG1 . 16743 1 1427 . 1 1 121 121 VAL HG12 H 1 1.118 0.020 . 1 . . . . 210 VAL HG1 . 16743 1 1428 . 1 1 121 121 VAL HG13 H 1 1.118 0.020 . 1 . . . . 210 VAL HG1 . 16743 1 1429 . 1 1 121 121 VAL HG21 H 1 0.974 0.020 . 1 . . . . 210 VAL HG2 . 16743 1 1430 . 1 1 121 121 VAL HG22 H 1 0.974 0.020 . 1 . . . . 210 VAL HG2 . 16743 1 1431 . 1 1 121 121 VAL HG23 H 1 0.974 0.020 . 1 . . . . 210 VAL HG2 . 16743 1 1432 . 1 1 121 121 VAL C C 13 177.620 0.300 . 1 . . . . 210 VAL C . 16743 1 1433 . 1 1 121 121 VAL CA C 13 64.708 0.300 . 1 . . . . 210 VAL CA . 16743 1 1434 . 1 1 121 121 VAL CB C 13 32.163 0.300 . 1 . . . . 210 VAL CB . 16743 1 1435 . 1 1 121 121 VAL CG1 C 13 24.303 0.300 . 1 . . . . 210 VAL CG1 . 16743 1 1436 . 1 1 121 121 VAL CG2 C 13 23.525 0.300 . 1 . . . . 210 VAL CG2 . 16743 1 1437 . 1 1 121 121 VAL N N 15 115.487 0.300 . 1 . . . . 210 VAL N . 16743 1 1438 . 1 1 122 122 GLU H H 1 7.884 0.020 . 1 . . . . 211 GLU H . 16743 1 1439 . 1 1 122 122 GLU HA H 1 4.448 0.020 . 1 . . . . 211 GLU HA . 16743 1 1440 . 1 1 122 122 GLU HB2 H 1 2.166 0.020 . 2 . . . . 211 GLU HB2 . 16743 1 1441 . 1 1 122 122 GLU HB3 H 1 2.194 0.020 . 2 . . . . 211 GLU HB3 . 16743 1 1442 . 1 1 122 122 GLU HG2 H 1 1.982 0.020 . 2 . . . . 211 GLU HG2 . 16743 1 1443 . 1 1 122 122 GLU HG3 H 1 2.065 0.020 . 2 . . . . 211 GLU HG3 . 16743 1 1444 . 1 1 122 122 GLU CA C 13 63.089 0.300 . 1 . . . . 211 GLU CA . 16743 1 1445 . 1 1 122 122 GLU CB C 13 27.222 0.300 . 1 . . . . 211 GLU CB . 16743 1 1446 . 1 1 122 122 GLU CG C 13 36.754 0.300 . 1 . . . . 211 GLU CG . 16743 1 1447 . 1 1 122 122 GLU N N 15 120.983 0.300 . 1 . . . . 211 GLU N . 16743 1 1448 . 1 1 123 123 PRO HA H 1 4.271 0.020 . 1 . . . . 212 PRO HA . 16743 1 1449 . 1 1 123 123 PRO HB2 H 1 2.303 0.020 . 2 . . . . 212 PRO HB2 . 16743 1 1450 . 1 1 123 123 PRO HB3 H 1 1.804 0.020 . 2 . . . . 212 PRO HB3 . 16743 1 1451 . 1 1 123 123 PRO HD2 H 1 3.528 0.020 . 2 . . . . 212 PRO HD2 . 16743 1 1452 . 1 1 123 123 PRO HD3 H 1 3.694 0.020 . 2 . . . . 212 PRO HD3 . 16743 1 1453 . 1 1 123 123 PRO HG2 H 1 1.957 0.020 . 2 . . . . 212 PRO HG2 . 16743 1 1454 . 1 1 123 123 PRO HG3 H 1 1.856 0.020 . 2 . . . . 212 PRO HG3 . 16743 1 1455 . 1 1 123 123 PRO C C 13 179.866 0.300 . 1 . . . . 212 PRO C . 16743 1 1456 . 1 1 123 123 PRO CA C 13 66.039 0.300 . 1 . . . . 212 PRO CA . 16743 1 1457 . 1 1 123 123 PRO CB C 13 30.766 0.300 . 1 . . . . 212 PRO CB . 16743 1 1458 . 1 1 123 123 PRO CD C 13 50.759 0.300 . 1 . . . . 212 PRO CD . 16743 1 1459 . 1 1 123 123 PRO CG C 13 28.372 0.300 . 1 . . . . 212 PRO CG . 16743 1 1460 . 1 1 124 124 MET H H 1 6.821 0.020 . 1 . . . . 213 MET H . 16743 1 1461 . 1 1 124 124 MET HA H 1 4.169 0.020 . 1 . . . . 213 MET HA . 16743 1 1462 . 1 1 124 124 MET HB2 H 1 2.037 0.020 . 2 . . . . 213 MET HB2 . 16743 1 1463 . 1 1 124 124 MET HB3 H 1 2.305 0.020 . 2 . . . . 213 MET HB3 . 16743 1 1464 . 1 1 124 124 MET HE1 H 1 1.892 0.020 . 1 . . . . 213 MET HE . 16743 1 1465 . 1 1 124 124 MET HE2 H 1 1.892 0.020 . 1 . . . . 213 MET HE . 16743 1 1466 . 1 1 124 124 MET HE3 H 1 1.892 0.020 . 1 . . . . 213 MET HE . 16743 1 1467 . 1 1 124 124 MET HG2 H 1 2.422 0.020 . 2 . . . . 213 MET HG2 . 16743 1 1468 . 1 1 124 124 MET HG3 H 1 2.903 0.020 . 2 . . . . 213 MET HG3 . 16743 1 1469 . 1 1 124 124 MET C C 13 178.814 0.300 . 1 . . . . 213 MET C . 16743 1 1470 . 1 1 124 124 MET CA C 13 59.773 0.300 . 1 . . . . 213 MET CA . 16743 1 1471 . 1 1 124 124 MET CB C 13 33.741 0.300 . 1 . . . . 213 MET CB . 16743 1 1472 . 1 1 124 124 MET CE C 13 17.395 0.300 . 1 . . . . 213 MET CE . 16743 1 1473 . 1 1 124 124 MET CG C 13 32.691 0.300 . 1 . . . . 213 MET CG . 16743 1 1474 . 1 1 124 124 MET N N 15 116.612 0.300 . 1 . . . . 213 MET N . 16743 1 1475 . 1 1 125 125 CYS H H 1 8.730 0.020 . 1 . . . . 214 CYS H . 16743 1 1476 . 1 1 125 125 CYS HA H 1 4.384 0.020 . 1 . . . . 214 CYS HA . 16743 1 1477 . 1 1 125 125 CYS HB2 H 1 2.875 0.020 . 2 . . . . 214 CYS HB2 . 16743 1 1478 . 1 1 125 125 CYS HB3 H 1 3.547 0.020 . 2 . . . . 214 CYS HB3 . 16743 1 1479 . 1 1 125 125 CYS C C 13 177.008 0.300 . 1 . . . . 214 CYS C . 16743 1 1480 . 1 1 125 125 CYS CA C 13 59.267 0.300 . 1 . . . . 214 CYS CA . 16743 1 1481 . 1 1 125 125 CYS CB C 13 41.465 0.300 . 1 . . . . 214 CYS CB . 16743 1 1482 . 1 1 125 125 CYS N N 15 119.956 0.300 . 1 . . . . 214 CYS N . 16743 1 1483 . 1 1 126 126 ILE H H 1 8.468 0.020 . 1 . . . . 215 ILE H . 16743 1 1484 . 1 1 126 126 ILE HA H 1 3.553 0.020 . 1 . . . . 215 ILE HA . 16743 1 1485 . 1 1 126 126 ILE HB H 1 1.941 0.020 . 1 . . . . 215 ILE HB . 16743 1 1486 . 1 1 126 126 ILE HD11 H 1 0.820 0.020 . 1 . . . . 215 ILE HD1 . 16743 1 1487 . 1 1 126 126 ILE HD12 H 1 0.820 0.020 . 1 . . . . 215 ILE HD1 . 16743 1 1488 . 1 1 126 126 ILE HD13 H 1 0.820 0.020 . 1 . . . . 215 ILE HD1 . 16743 1 1489 . 1 1 126 126 ILE HG12 H 1 0.948 0.020 . 2 . . . . 215 ILE HG12 . 16743 1 1490 . 1 1 126 126 ILE HG13 H 1 0.849 0.020 . 2 . . . . 215 ILE HG13 . 16743 1 1491 . 1 1 126 126 ILE HG21 H 1 0.874 0.020 . 1 . . . . 215 ILE HG2 . 16743 1 1492 . 1 1 126 126 ILE HG22 H 1 0.874 0.020 . 1 . . . . 215 ILE HG2 . 16743 1 1493 . 1 1 126 126 ILE HG23 H 1 0.874 0.020 . 1 . . . . 215 ILE HG2 . 16743 1 1494 . 1 1 126 126 ILE C C 13 177.934 0.300 . 1 . . . . 215 ILE C . 16743 1 1495 . 1 1 126 126 ILE CA C 13 66.554 0.300 . 1 . . . . 215 ILE CA . 16743 1 1496 . 1 1 126 126 ILE CB C 13 37.857 0.300 . 1 . . . . 215 ILE CB . 16743 1 1497 . 1 1 126 126 ILE CD1 C 13 13.798 0.300 . 1 . . . . 215 ILE CD1 . 16743 1 1498 . 1 1 126 126 ILE CG1 C 13 30.734 0.300 . 1 . . . . 215 ILE CG1 . 16743 1 1499 . 1 1 126 126 ILE CG2 C 13 17.220 0.300 . 1 . . . . 215 ILE CG2 . 16743 1 1500 . 1 1 126 126 ILE N N 15 123.632 0.300 . 1 . . . . 215 ILE N . 16743 1 1501 . 1 1 127 127 THR H H 1 8.237 0.020 . 1 . . . . 216 THR H . 16743 1 1502 . 1 1 127 127 THR HA H 1 3.946 0.020 . 1 . . . . 216 THR HA . 16743 1 1503 . 1 1 127 127 THR HB H 1 4.240 0.020 . 1 . . . . 216 THR HB . 16743 1 1504 . 1 1 127 127 THR HG21 H 1 1.178 0.020 . 1 . . . . 216 THR HG2 . 16743 1 1505 . 1 1 127 127 THR HG22 H 1 1.178 0.020 . 1 . . . . 216 THR HG2 . 16743 1 1506 . 1 1 127 127 THR HG23 H 1 1.178 0.020 . 1 . . . . 216 THR HG2 . 16743 1 1507 . 1 1 127 127 THR CA C 13 67.145 0.300 . 1 . . . . 216 THR CA . 16743 1 1508 . 1 1 127 127 THR CB C 13 68.375 0.300 . 1 . . . . 216 THR CB . 16743 1 1509 . 1 1 127 127 THR CG2 C 13 21.896 0.300 . 1 . . . . 216 THR CG2 . 16743 1 1510 . 1 1 127 127 THR N N 15 118.501 0.300 . 1 . . . . 216 THR N . 16743 1 1511 . 1 1 128 128 GLN HA H 1 3.660 0.020 . 1 . . . . 217 GLN HA . 16743 1 1512 . 1 1 128 128 GLN HB2 H 1 2.106 0.020 . 2 . . . . 217 GLN HB2 . 16743 1 1513 . 1 1 128 128 GLN HB3 H 1 2.170 0.020 . 2 . . . . 217 GLN HB3 . 16743 1 1514 . 1 1 128 128 GLN HE21 H 1 6.738 0.020 . 1 . . . . 217 GLN HE21 . 16743 1 1515 . 1 1 128 128 GLN HE22 H 1 7.173 0.020 . 1 . . . . 217 GLN HE22 . 16743 1 1516 . 1 1 128 128 GLN HG2 H 1 1.710 0.020 . 2 . . . . 217 GLN HG2 . 16743 1 1517 . 1 1 128 128 GLN HG3 H 1 1.667 0.020 . 2 . . . . 217 GLN HG3 . 16743 1 1518 . 1 1 128 128 GLN CA C 13 58.425 0.300 . 1 . . . . 217 GLN CA . 16743 1 1519 . 1 1 128 128 GLN CB C 13 27.659 0.300 . 1 . . . . 217 GLN CB . 16743 1 1520 . 1 1 128 128 GLN CG C 13 32.700 0.300 . 1 . . . . 217 GLN CG . 16743 1 1521 . 1 1 128 128 GLN NE2 N 15 114.758 0.300 . 1 . . . . 217 GLN NE2 . 16743 1 1522 . 1 1 129 129 TYR H H 1 8.498 0.020 . 1 . . . . 218 TYR H . 16743 1 1523 . 1 1 129 129 TYR HA H 1 2.872 0.020 . 1 . . . . 218 TYR HA . 16743 1 1524 . 1 1 129 129 TYR HB2 H 1 2.730 0.020 . 2 . . . . 218 TYR HB2 . 16743 1 1525 . 1 1 129 129 TYR HB3 H 1 3.079 0.020 . 2 . . . . 218 TYR HB3 . 16743 1 1526 . 1 1 129 129 TYR HD1 H 1 6.291 0.020 . 1 . . . . 218 TYR HD1 . 16743 1 1527 . 1 1 129 129 TYR HD2 H 1 6.291 0.020 . 1 . . . . 218 TYR HD2 . 16743 1 1528 . 1 1 129 129 TYR HE1 H 1 6.599 0.020 . 1 . . . . 218 TYR HE1 . 16743 1 1529 . 1 1 129 129 TYR HE2 H 1 6.599 0.020 . 1 . . . . 218 TYR HE2 . 16743 1 1530 . 1 1 129 129 TYR C C 13 177.919 0.300 . 1 . . . . 218 TYR C . 16743 1 1531 . 1 1 129 129 TYR CA C 13 62.083 0.300 . 1 . . . . 218 TYR CA . 16743 1 1532 . 1 1 129 129 TYR CB C 13 37.070 0.300 . 1 . . . . 218 TYR CB . 16743 1 1533 . 1 1 129 129 TYR CD1 C 13 132.477 0.300 . 1 . . . . 218 TYR CD1 . 16743 1 1534 . 1 1 129 129 TYR CD2 C 13 132.477 0.300 . 1 . . . . 218 TYR CD2 . 16743 1 1535 . 1 1 129 129 TYR CE1 C 13 117.783 0.300 . 1 . . . . 218 TYR CE1 . 16743 1 1536 . 1 1 129 129 TYR CE2 C 13 117.783 0.300 . 1 . . . . 218 TYR CE2 . 16743 1 1537 . 1 1 129 129 TYR N N 15 120.686 0.300 . 1 . . . . 218 TYR N . 16743 1 1538 . 1 1 130 130 GLU H H 1 8.315 0.020 . 1 . . . . 219 GLU H . 16743 1 1539 . 1 1 130 130 GLU HA H 1 3.652 0.020 . 1 . . . . 219 GLU HA . 16743 1 1540 . 1 1 130 130 GLU HB2 H 1 2.026 0.020 . 2 . . . . 219 GLU HB2 . 16743 1 1541 . 1 1 130 130 GLU HB3 H 1 2.290 0.020 . 2 . . . . 219 GLU HB3 . 16743 1 1542 . 1 1 130 130 GLU HG2 H 1 2.505 0.020 . 2 . . . . 219 GLU HG2 . 16743 1 1543 . 1 1 130 130 GLU HG3 H 1 2.227 0.020 . 2 . . . . 219 GLU HG3 . 16743 1 1544 . 1 1 130 130 GLU CA C 13 59.753 0.300 . 1 . . . . 219 GLU CA . 16743 1 1545 . 1 1 130 130 GLU CB C 13 29.019 0.300 . 1 . . . . 219 GLU CB . 16743 1 1546 . 1 1 130 130 GLU CG C 13 36.764 0.300 . 1 . . . . 219 GLU CG . 16743 1 1547 . 1 1 130 130 GLU N N 15 121.308 0.300 . 1 . . . . 219 GLU N . 16743 1 1548 . 1 1 131 131 ARG H H 1 8.246 0.020 . 1 . . . . 220 ARG H . 16743 1 1549 . 1 1 131 131 ARG HA H 1 3.947 0.020 . 1 . . . . 220 ARG HA . 16743 1 1550 . 1 1 131 131 ARG HB2 H 1 1.793 0.020 . 2 . . . . 220 ARG HB2 . 16743 1 1551 . 1 1 131 131 ARG HB3 H 1 1.828 0.020 . 2 . . . . 220 ARG HB3 . 16743 1 1552 . 1 1 131 131 ARG HD2 H 1 2.937 0.020 . 2 . . . . 220 ARG HD2 . 16743 1 1553 . 1 1 131 131 ARG HD3 H 1 3.069 0.020 . 2 . . . . 220 ARG HD3 . 16743 1 1554 . 1 1 131 131 ARG HG2 H 1 1.568 0.020 . 2 . . . . 220 ARG HG2 . 16743 1 1555 . 1 1 131 131 ARG HG3 H 1 1.782 0.020 . 2 . . . . 220 ARG HG3 . 16743 1 1556 . 1 1 131 131 ARG C C 13 179.803 0.300 . 1 . . . . 220 ARG C . 16743 1 1557 . 1 1 131 131 ARG CA C 13 59.337 0.300 . 1 . . . . 220 ARG CA . 16743 1 1558 . 1 1 131 131 ARG CB C 13 29.808 0.300 . 1 . . . . 220 ARG CB . 16743 1 1559 . 1 1 131 131 ARG CD C 13 43.634 0.300 . 1 . . . . 220 ARG CD . 16743 1 1560 . 1 1 131 131 ARG CG C 13 27.415 0.300 . 1 . . . . 220 ARG CG . 16743 1 1561 . 1 1 131 131 ARG N N 15 119.105 0.300 . 1 . . . . 220 ARG N . 16743 1 1562 . 1 1 132 132 GLU H H 1 8.586 0.020 . 1 . . . . 221 GLU H . 16743 1 1563 . 1 1 132 132 GLU HA H 1 4.005 0.020 . 1 . . . . 221 GLU HA . 16743 1 1564 . 1 1 132 132 GLU HB2 H 1 2.359 0.020 . 2 . . . . 221 GLU HB2 . 16743 1 1565 . 1 1 132 132 GLU HB3 H 1 2.051 0.020 . 2 . . . . 221 GLU HB3 . 16743 1 1566 . 1 1 132 132 GLU HG2 H 1 2.498 0.020 . 2 . . . . 221 GLU HG2 . 16743 1 1567 . 1 1 132 132 GLU HG3 H 1 2.363 0.020 . 2 . . . . 221 GLU HG3 . 16743 1 1568 . 1 1 132 132 GLU C C 13 178.971 0.300 . 1 . . . . 221 GLU C . 16743 1 1569 . 1 1 132 132 GLU CA C 13 58.157 0.300 . 1 . . . . 221 GLU CA . 16743 1 1570 . 1 1 132 132 GLU CB C 13 29.431 0.300 . 1 . . . . 221 GLU CB . 16743 1 1571 . 1 1 132 132 GLU CG C 13 36.948 0.300 . 1 . . . . 221 GLU CG . 16743 1 1572 . 1 1 132 132 GLU N N 15 119.899 0.300 . 1 . . . . 221 GLU N . 16743 1 1573 . 1 1 133 133 SER H H 1 8.573 0.020 . 1 . . . . 222 SER H . 16743 1 1574 . 1 1 133 133 SER HA H 1 3.843 0.020 . 1 . . . . 222 SER HA . 16743 1 1575 . 1 1 133 133 SER HB2 H 1 3.513 0.020 . 2 . . . . 222 SER HB2 . 16743 1 1576 . 1 1 133 133 SER HB3 H 1 3.304 0.020 . 2 . . . . 222 SER HB3 . 16743 1 1577 . 1 1 133 133 SER C C 13 176.019 0.300 . 1 . . . . 222 SER C . 16743 1 1578 . 1 1 133 133 SER CA C 13 61.626 0.300 . 1 . . . . 222 SER CA . 16743 1 1579 . 1 1 133 133 SER CB C 13 62.213 0.300 . 1 . . . . 222 SER CB . 16743 1 1580 . 1 1 133 133 SER N N 15 116.318 0.300 . 1 . . . . 222 SER N . 16743 1 1581 . 1 1 134 134 GLN H H 1 7.563 0.020 . 1 . . . . 223 GLN H . 16743 1 1582 . 1 1 134 134 GLN HA H 1 4.094 0.020 . 1 . . . . 223 GLN HA . 16743 1 1583 . 1 1 134 134 GLN HB2 H 1 2.091 0.020 . 1 . . . . 223 GLN HB2 . 16743 1 1584 . 1 1 134 134 GLN HB3 H 1 2.091 0.020 . 1 . . . . 223 GLN HB3 . 16743 1 1585 . 1 1 134 134 GLN HE21 H 1 7.467 0.020 . 1 . . . . 223 GLN HE21 . 16743 1 1586 . 1 1 134 134 GLN HE22 H 1 6.833 0.020 . 1 . . . . 223 GLN HE22 . 16743 1 1587 . 1 1 134 134 GLN HG2 H 1 2.493 0.020 . 2 . . . . 223 GLN HG2 . 16743 1 1588 . 1 1 134 134 GLN HG3 H 1 2.370 0.020 . 2 . . . . 223 GLN HG3 . 16743 1 1589 . 1 1 134 134 GLN C C 13 178.186 0.300 . 1 . . . . 223 GLN C . 16743 1 1590 . 1 1 134 134 GLN CA C 13 58.728 0.300 . 1 . . . . 223 GLN CA . 16743 1 1591 . 1 1 134 134 GLN CB C 13 28.149 0.300 . 1 . . . . 223 GLN CB . 16743 1 1592 . 1 1 134 134 GLN CG C 13 33.932 0.300 . 1 . . . . 223 GLN CG . 16743 1 1593 . 1 1 134 134 GLN N N 15 120.551 0.300 . 1 . . . . 223 GLN N . 16743 1 1594 . 1 1 134 134 GLN NE2 N 15 111.793 0.300 . 1 . . . . 223 GLN NE2 . 16743 1 1595 . 1 1 135 135 ALA H H 1 7.547 0.020 . 1 . . . . 224 ALA H . 16743 1 1596 . 1 1 135 135 ALA HA H 1 4.117 0.020 . 1 . . . . 224 ALA HA . 16743 1 1597 . 1 1 135 135 ALA HB1 H 1 1.420 0.020 . 1 . . . . 224 ALA HB . 16743 1 1598 . 1 1 135 135 ALA HB2 H 1 1.420 0.020 . 1 . . . . 224 ALA HB . 16743 1 1599 . 1 1 135 135 ALA HB3 H 1 1.420 0.020 . 1 . . . . 224 ALA HB . 16743 1 1600 . 1 1 135 135 ALA C C 13 179.489 0.300 . 1 . . . . 224 ALA C . 16743 1 1601 . 1 1 135 135 ALA CA C 13 54.504 0.300 . 1 . . . . 224 ALA CA . 16743 1 1602 . 1 1 135 135 ALA CB C 13 18.248 0.300 . 1 . . . . 224 ALA CB . 16743 1 1603 . 1 1 135 135 ALA N N 15 121.013 0.300 . 1 . . . . 224 ALA N . 16743 1 1604 . 1 1 136 136 TYR H H 1 8.267 0.020 . 1 . . . . 225 TYR H . 16743 1 1605 . 1 1 136 136 TYR HA H 1 4.027 0.020 . 1 . . . . 225 TYR HA . 16743 1 1606 . 1 1 136 136 TYR HB2 H 1 3.043 0.020 . 2 . . . . 225 TYR HB2 . 16743 1 1607 . 1 1 136 136 TYR HB3 H 1 2.860 0.020 . 2 . . . . 225 TYR HB3 . 16743 1 1608 . 1 1 136 136 TYR HD1 H 1 6.655 0.020 . 1 . . . . 225 TYR HD1 . 16743 1 1609 . 1 1 136 136 TYR HD2 H 1 6.655 0.020 . 1 . . . . 225 TYR HD2 . 16743 1 1610 . 1 1 136 136 TYR HE1 H 1 6.837 0.020 . 1 . . . . 225 TYR HE1 . 16743 1 1611 . 1 1 136 136 TYR HE2 H 1 6.837 0.020 . 1 . . . . 225 TYR HE2 . 16743 1 1612 . 1 1 136 136 TYR C C 13 177.950 0.300 . 1 . . . . 225 TYR C . 16743 1 1613 . 1 1 136 136 TYR CA C 13 61.136 0.300 . 1 . . . . 225 TYR CA . 16743 1 1614 . 1 1 136 136 TYR CB C 13 38.975 0.300 . 1 . . . . 225 TYR CB . 16743 1 1615 . 1 1 136 136 TYR CD1 C 13 133.168 0.300 . 1 . . . . 225 TYR CD1 . 16743 1 1616 . 1 1 136 136 TYR CD2 C 13 133.168 0.300 . 1 . . . . 225 TYR CD2 . 16743 1 1617 . 1 1 136 136 TYR CE1 C 13 118.100 0.300 . 1 . . . . 225 TYR CE1 . 16743 1 1618 . 1 1 136 136 TYR CE2 C 13 118.100 0.300 . 1 . . . . 225 TYR CE2 . 16743 1 1619 . 1 1 136 136 TYR N N 15 120.107 0.300 . 1 . . . . 225 TYR N . 16743 1 1620 . 1 1 137 137 TYR H H 1 8.077 0.020 . 1 . . . . 226 TYR H . 16743 1 1621 . 1 1 137 137 TYR HA H 1 4.257 0.020 . 1 . . . . 226 TYR HA . 16743 1 1622 . 1 1 137 137 TYR HB2 H 1 2.940 0.020 . 2 . . . . 226 TYR HB2 . 16743 1 1623 . 1 1 137 137 TYR HB3 H 1 3.147 0.020 . 2 . . . . 226 TYR HB3 . 16743 1 1624 . 1 1 137 137 TYR HD1 H 1 7.206 0.020 . 1 . . . . 226 TYR HD1 . 16743 1 1625 . 1 1 137 137 TYR HD2 H 1 7.206 0.020 . 1 . . . . 226 TYR HD2 . 16743 1 1626 . 1 1 137 137 TYR HE1 H 1 7.015 0.020 . 1 . . . . 226 TYR HE1 . 16743 1 1627 . 1 1 137 137 TYR HE2 H 1 7.015 0.020 . 1 . . . . 226 TYR HE2 . 16743 1 1628 . 1 1 137 137 TYR C C 13 177.573 0.300 . 1 . . . . 226 TYR C . 16743 1 1629 . 1 1 137 137 TYR CA C 13 59.971 0.300 . 1 . . . . 226 TYR CA . 16743 1 1630 . 1 1 137 137 TYR CB C 13 37.801 0.300 . 1 . . . . 226 TYR CB . 16743 1 1631 . 1 1 137 137 TYR CD1 C 13 133.149 0.300 . 1 . . . . 226 TYR CD1 . 16743 1 1632 . 1 1 137 137 TYR CD2 C 13 133.149 0.300 . 1 . . . . 226 TYR CD2 . 16743 1 1633 . 1 1 137 137 TYR CE1 C 13 118.400 0.300 . 1 . . . . 226 TYR CE1 . 16743 1 1634 . 1 1 137 137 TYR CE2 C 13 118.400 0.300 . 1 . . . . 226 TYR CE2 . 16743 1 1635 . 1 1 137 137 TYR N N 15 118.021 0.300 . 1 . . . . 226 TYR N . 16743 1 1636 . 1 1 138 138 GLN H H 1 7.870 0.020 . 1 . . . . 227 GLN H . 16743 1 1637 . 1 1 138 138 GLN HA H 1 4.142 0.020 . 1 . . . . 227 GLN HA . 16743 1 1638 . 1 1 138 138 GLN HB2 H 1 2.078 0.020 . 2 . . . . 227 GLN HB2 . 16743 1 1639 . 1 1 138 138 GLN HB3 H 1 2.124 0.020 . 2 . . . . 227 GLN HB3 . 16743 1 1640 . 1 1 138 138 GLN HE21 H 1 7.521 0.020 . 1 . . . . 227 GLN HE21 . 16743 1 1641 . 1 1 138 138 GLN HE22 H 1 6.835 0.020 . 1 . . . . 227 GLN HE22 . 16743 1 1642 . 1 1 138 138 GLN HG2 H 1 2.367 0.020 . 2 . . . . 227 GLN HG2 . 16743 1 1643 . 1 1 138 138 GLN HG3 H 1 2.422 0.020 . 2 . . . . 227 GLN HG3 . 16743 1 1644 . 1 1 138 138 GLN C C 13 177.024 0.300 . 1 . . . . 227 GLN C . 16743 1 1645 . 1 1 138 138 GLN CA C 13 57.105 0.300 . 1 . . . . 227 GLN CA . 16743 1 1646 . 1 1 138 138 GLN CB C 13 28.675 0.300 . 1 . . . . 227 GLN CB . 16743 1 1647 . 1 1 138 138 GLN CG C 13 33.914 0.300 . 1 . . . . 227 GLN CG . 16743 1 1648 . 1 1 138 138 GLN N N 15 118.761 0.300 . 1 . . . . 227 GLN N . 16743 1 1649 . 1 1 138 138 GLN NE2 N 15 111.915 0.300 . 1 . . . . 227 GLN NE2 . 16743 1 1650 . 1 1 139 139 ARG H H 1 7.874 0.020 . 1 . . . . 228 ARG H . 16743 1 1651 . 1 1 139 139 ARG HA H 1 4.167 0.020 . 1 . . . . 228 ARG HA . 16743 1 1652 . 1 1 139 139 ARG HB2 H 1 1.786 0.020 . 1 . . . . 228 ARG HB2 . 16743 1 1653 . 1 1 139 139 ARG HB3 H 1 1.786 0.020 . 1 . . . . 228 ARG HB3 . 16743 1 1654 . 1 1 139 139 ARG HD2 H 1 3.054 0.020 . 2 . . . . 228 ARG HD2 . 16743 1 1655 . 1 1 139 139 ARG HD3 H 1 3.134 0.020 . 2 . . . . 228 ARG HD3 . 16743 1 1656 . 1 1 139 139 ARG HG2 H 1 1.547 0.020 . 2 . . . . 228 ARG HG2 . 16743 1 1657 . 1 1 139 139 ARG HG3 H 1 1.694 0.020 . 2 . . . . 228 ARG HG3 . 16743 1 1658 . 1 1 139 139 ARG C C 13 177.463 0.300 . 1 . . . . 228 ARG C . 16743 1 1659 . 1 1 139 139 ARG CA C 13 57.497 0.300 . 1 . . . . 228 ARG CA . 16743 1 1660 . 1 1 139 139 ARG CB C 13 30.540 0.300 . 1 . . . . 228 ARG CB . 16743 1 1661 . 1 1 139 139 ARG CD C 13 43.587 0.300 . 1 . . . . 228 ARG CD . 16743 1 1662 . 1 1 139 139 ARG CG C 13 27.080 0.300 . 1 . . . . 228 ARG CG . 16743 1 1663 . 1 1 139 139 ARG N N 15 119.734 0.300 . 1 . . . . 228 ARG N . 16743 1 1664 . 1 1 140 140 GLY H H 1 8.074 0.020 . 1 . . . . 229 GLY H . 16743 1 1665 . 1 1 140 140 GLY HA2 H 1 3.858 0.020 . 1 . . . . 229 GLY HA2 . 16743 1 1666 . 1 1 140 140 GLY HA3 H 1 3.858 0.020 . 1 . . . . 229 GLY HA3 . 16743 1 1667 . 1 1 140 140 GLY C C 13 174.527 0.300 . 1 . . . . 229 GLY C . 16743 1 1668 . 1 1 140 140 GLY CA C 13 45.703 0.300 . 1 . . . . 229 GLY CA . 16743 1 1669 . 1 1 140 140 GLY N N 15 108.508 0.300 . 1 . . . . 229 GLY N . 16743 1 1670 . 1 1 141 141 SER H H 1 8.046 0.020 . 1 . . . . 230 SER H . 16743 1 1671 . 1 1 141 141 SER HA H 1 4.311 0.020 . 1 . . . . 230 SER HA . 16743 1 1672 . 1 1 141 141 SER HB2 H 1 3.811 0.020 . 1 . . . . 230 SER HB2 . 16743 1 1673 . 1 1 141 141 SER HB3 H 1 3.811 0.020 . 1 . . . . 230 SER HB3 . 16743 1 1674 . 1 1 141 141 SER C C 13 174.983 0.300 . 1 . . . . 230 SER C . 16743 1 1675 . 1 1 141 141 SER CA C 13 58.696 0.300 . 1 . . . . 230 SER CA . 16743 1 1676 . 1 1 141 141 SER CB C 13 63.640 0.300 . 1 . . . . 230 SER CB . 16743 1 1677 . 1 1 141 141 SER N N 15 115.143 0.300 . 1 . . . . 230 SER N . 16743 1 1678 . 1 1 142 142 SER H H 1 8.223 0.020 . 1 . . . . 231 SER H . 16743 1 1679 . 1 1 142 142 SER HA H 1 4.330 0.020 . 1 . . . . 231 SER HA . 16743 1 1680 . 1 1 142 142 SER HB2 H 1 3.767 0.020 . 1 . . . . 231 SER HB2 . 16743 1 1681 . 1 1 142 142 SER HB3 H 1 3.767 0.020 . 1 . . . . 231 SER HB3 . 16743 1 1682 . 1 1 142 142 SER C C 13 174.527 0.300 . 1 . . . . 231 SER C . 16743 1 1683 . 1 1 142 142 SER CA C 13 58.697 0.300 . 1 . . . . 231 SER CA . 16743 1 1684 . 1 1 142 142 SER CB C 13 63.521 0.300 . 1 . . . . 231 SER CB . 16743 1 1685 . 1 1 142 142 SER N N 15 117.104 0.300 . 1 . . . . 231 SER N . 16743 1 1686 . 1 1 143 143 HIS H H 1 8.240 0.020 . 1 . . . . 232 HIS H . 16743 1 1687 . 1 1 143 143 HIS HA H 1 4.579 0.020 . 1 . . . . 232 HIS HA . 16743 1 1688 . 1 1 143 143 HIS HB2 H 1 3.060 0.020 . 2 . . . . 232 HIS HB2 . 16743 1 1689 . 1 1 143 143 HIS HB3 H 1 2.968 0.020 . 2 . . . . 232 HIS HB3 . 16743 1 1690 . 1 1 143 143 HIS HD2 H 1 7.035 0.020 . 1 . . . . 232 HIS HD2 . 16743 1 1691 . 1 1 143 143 HIS C C 13 173.695 0.300 . 1 . . . . 232 HIS C . 16743 1 1692 . 1 1 143 143 HIS CA C 13 55.654 0.300 . 1 . . . . 232 HIS CA . 16743 1 1693 . 1 1 143 143 HIS CB C 13 29.786 0.300 . 1 . . . . 232 HIS CB . 16743 1 1694 . 1 1 143 143 HIS N N 15 119.761 0.300 . 1 . . . . 232 HIS N . 16743 1 1695 . 1 1 144 144 HIS H H 1 8.277 0.020 . 1 . . . . 233 HIS H . 16743 1 1696 . 1 1 144 144 HIS HA H 1 4.126 0.020 . 1 . . . . 233 HIS HA . 16743 1 1697 . 1 1 144 144 HIS CA C 13 57.175 0.300 . 1 . . . . 233 HIS CA . 16743 1 1698 . 1 1 144 144 HIS CB C 13 29.714 0.300 . 1 . . . . 233 HIS CB . 16743 1 1699 . 1 1 144 144 HIS N N 15 125.356 0.300 . 1 . . . . 233 HIS N . 16743 1 stop_ save_