data_17714 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17714 _Entry.Title ; human prion protein mutant HuPrP(90-231, M129, V210I) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-16 _Entry.Accession_date 2011-06-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ivana Biljan . . . 17714 2 Gregor Ilc . . . 17714 3 Gabriele Giachin . . . 17714 4 Andrea Raspadori . . . 17714 5 Igor Zhukov . . . 17714 6 Janez Plavec . . . 17714 7 Giuseppe Legname . . . 17714 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17714 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'human prion' . 17714 'pathologic mutant' . 17714 'point mutation' . 17714 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17714 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 459 17714 '15N chemical shifts' 149 17714 '1H chemical shifts' 928 17714 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-02-17 2011-06-16 udpate BMRB 'update entry citation' 17714 1 . . 2011-08-19 2011-06-16 original author 'original release' 17714 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1QM1 . 17714 PDB 2LEJ 'BMRB Entry Tracking System' 17714 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17714 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21839748 _Citation.Full_citation . _Citation.Title 'Toward the molecular basis of inherited prion diseases: NMR structure of the human prion protein with V210I mutation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 412 _Citation.Journal_issue 4 _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 660 _Citation.Page_last 673 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ivana Biljan . . . 17714 1 2 Gregor Ilc . . . 17714 1 3 Gabriele Giachin . . . 17714 1 4 Andrea Raspadori . . . 17714 1 5 Igor Zhukov . . . 17714 1 6 Janez Plavec . . . 17714 1 7 Giuseppe Legname . . . 17714 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17714 _Assembly.ID 1 _Assembly.Name 'human prion protein mutant HuPrP(90-231, M129, V210I)' _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 1 $HuPrP A . yes native no no . . . 17714 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 HuPrP 1 CYS 95 95 SG . 1 HuPrP 1 CYS 130 130 SG 1 HuPrP 179 CYS SG 1 HuPrP 214 CYS SG 17714 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HuPrP _Entity.Sf_category entity _Entity.Sf_framecode HuPrP _Entity.Entry_ID 17714 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HuPrP _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 ; GAMDPGQGGGTHSQWNKPSK PKTNMKHMAGAAAAGAVVGG LGGYMLGSAMSRPIIHFGSD YEDRYYRENMHRYPNQVYYR PMDEYSNQNNFVHDCVNITI KQHTVTTTTKGENFTETDVK MMERVIEQMCITQYERESQA YYQRGSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Gly85 to Ser231' _Entity.Polymer_author_seq_details 'Gly85-Pro89 nonnative' _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 147 _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, M129, V210I)' _Entity.Mutation 'Val210 to Ile' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16654.660 _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 . . . . . 97.96 146 97.92 100.00 4.06e-102 . . . . 17714 1 2 no BMRB 16743 . "HuPrP(90-231 M129 Q212P)" . . . . . 96.60 148 98.59 99.30 4.66e-100 . . . . 17714 1 3 no BMRB 16757 . PrP^(91-231) . . . . . 97.96 145 97.22 100.00 1.75e-101 . . . . 17714 1 4 no BMRB 17756 . hPrP(121-230) . . . . . 74.83 113 99.09 100.00 3.25e-75 . . . . 17714 1 5 no BMRB 17757 . hPrP(121-230) . . . . . 74.83 113 97.27 98.18 2.28e-72 . . . . 17714 1 6 no BMRB 17780 . Hpp_E219K . . . . . 96.60 142 98.59 100.00 6.57e-101 . . . . 17714 1 7 no BMRB 18426 . entity . . . . . 96.60 142 99.30 100.00 1.53e-101 . . . . 17714 1 8 no BMRB 18550 . V210I . . . . . 100.00 147 100.00 100.00 5.88e-106 . . . . 17714 1 9 no BMRB 19268 . MAJOR_PRION_PROTEIN . . . . . 97.96 146 98.61 100.00 7.14e-103 . . . . 17714 1 10 no BMRB 4379 . "human prion protein" . . . . . 76.19 112 98.21 100.00 1.83e-76 . . . . 17714 1 11 no BMRB 4402 . "human prion protein" . . . . . 95.92 210 99.29 100.00 1.79e-99 . . . . 17714 1 12 no BMRB 4434 . "human prion protein" . . . . . 95.92 143 99.29 100.00 7.83e-101 . . . . 17714 1 13 no BMRB 4620 . "prion protein" . . . . . 76.19 112 97.32 100.00 4.73e-76 . . . . 17714 1 14 no BMRB 4641 . "PRION PROTEIN" . . . . . 97.96 146 98.61 100.00 7.97e-103 . . . . 17714 1 15 no BMRB 4736 . "human prion protein" . . . . . 76.19 112 97.32 100.00 7.81e-76 . . . . 17714 1 16 no PDB 1E1G . "Human Prion Protein Variant M166v" . . . . . 70.07 104 98.06 100.00 1.69e-69 . . . . 17714 1 17 no PDB 1E1J . "Human Prion Protein Variant M166v" . . . . . 70.07 104 98.06 100.00 1.69e-69 . . . . 17714 1 18 no PDB 1E1P . "Human Prion Protein Variant S170n" . . . . . 70.07 104 98.06 100.00 1.81e-69 . . . . 17714 1 19 no PDB 1E1S . "Human Prion Protein Variant S170n" . . . . . 70.07 104 98.06 100.00 1.81e-69 . . . . 17714 1 20 no PDB 1E1U . "Human Prion Protein Variant R220k" . . . . . 70.07 104 98.06 100.00 1.19e-69 . . . . 17714 1 21 no PDB 1E1W . "Human Prion Protein Variant R220k" . . . . . 70.07 104 98.06 100.00 1.19e-69 . . . . 17714 1 22 no PDB 1FKC . "Human Prion Protein (Mutant E200k) Fragment 90-231" . . . . . 96.60 142 98.59 100.00 6.57e-101 . . . . 17714 1 23 no PDB 1FO7 . "Human Prion Protein Mutant E200k Fragment 90-231" . . . . . 96.60 142 98.59 100.00 6.57e-101 . . . . 17714 1 24 no PDB 1HJM . "Human Prion Protein At Ph 7.0" . . . . . 70.07 104 99.03 100.00 3.80e-70 . . . . 17714 1 25 no PDB 1HJN . "Human Prion Protein At Ph 7.0" . . . . . 70.07 104 99.03 100.00 3.80e-70 . . . . 17714 1 26 no PDB 1I4M . "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" . . . . . 73.47 108 99.07 100.00 6.09e-74 . . . . 17714 1 27 no PDB 1QLX . "Human Prion Protein" . . . . . 95.92 210 99.29 100.00 1.79e-99 . . . . 17714 1 28 no PDB 1QLZ . "Human Prion Protein" . . . . . 95.92 210 99.29 100.00 1.79e-99 . . . . 17714 1 29 no PDB 1QM0 . "Human Prion Protein Fragment 90-230" . . . . . 95.92 143 99.29 100.00 7.83e-101 . . . . 17714 1 30 no PDB 1QM1 . "Human Prion Protein Fragment 90-230" . . . . . 95.92 143 99.29 100.00 7.83e-101 . . . . 17714 1 31 no PDB 1QM2 . "Human Prion Protein Fragment 121-230" . . . . . 76.19 112 98.21 100.00 1.83e-76 . . . . 17714 1 32 no PDB 1QM3 . "Human Prion Protein Fragment 121-230" . . . . . 76.19 112 98.21 100.00 1.83e-76 . . . . 17714 1 33 no PDB 2K1D . "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" . . . . . 97.96 146 97.92 100.00 4.06e-102 . . . . 17714 1 34 no PDB 2KUN . "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" . . . . . 96.60 148 98.59 99.30 4.66e-100 . . . . 17714 1 35 no PDB 2LEJ . "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" . . . . . 100.00 147 100.00 100.00 5.88e-106 . . . . 17714 1 36 no PDB 2LFT . "Human Prion Protein With E219k Protective Polymorphism" . . . . . 96.60 142 98.59 100.00 6.57e-101 . . . . 17714 1 37 no PDB 2LSB . "Solution-State Nmr Structure Of The Human Prion Protein" . . . . . 96.60 142 99.30 100.00 1.53e-101 . . . . 17714 1 38 no PDB 2LV1 . "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" . . . . . 100.00 147 100.00 100.00 5.88e-106 . . . . 17714 1 39 no PDB 2M8T . "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" . . . . . 97.96 146 98.61 100.00 7.14e-103 . . . . 17714 1 40 no PDB 2W9E . "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" . . . . . 76.87 113 99.12 100.00 1.10e-77 . . . . 17714 1 41 no PDB 3HAF . "Human Prion Protein Variant V129 Domain Swapped Dimer" . . . . . 96.60 142 98.59 100.00 7.73e-101 . . . . 17714 1 42 no PDB 3HAK . "Human Prion Protein Variant V129" . . . . . 70.07 103 98.06 100.00 1.35e-69 . . . . 17714 1 43 no PDB 3HEQ . "Human Prion Protein Variant D178n With M129" . . . . . 96.60 142 98.59 100.00 9.21e-101 . . . . 17714 1 44 no PDB 3HER . "Human Prion Protein Variant F198s With V129" . . . . . 96.60 142 97.89 99.30 1.28e-99 . . . . 17714 1 45 no PDB 3HES . "Human Prion Protein Variant F198s With M129" . . . . . 96.60 142 98.59 99.30 3.24e-100 . . . . 17714 1 46 no PDB 3HJ5 . "Human Prion Protein Variant V129 Domain Swapped Dimer" . . . . . 96.60 142 98.59 100.00 7.73e-101 . . . . 17714 1 47 no PDB 3HJX . "Human Prion Protein Variant D178n With V129" . . . . . 72.11 106 97.17 100.00 6.41e-71 . . . . 17714 1 48 no PDB 4DGI . "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" . . . . . 75.51 111 99.10 100.00 3.06e-76 . . . . 17714 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" . . . . . 96.60 241 99.30 100.00 8.01e-100 . . . . 17714 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" . . . . . 96.60 142 99.30 100.00 1.53e-101 . . . . 17714 1 51 no DBJ BAA00011 . "prion protein [Homo sapiens]" . . . . . 96.60 245 98.59 99.30 6.77e-97 . . . . 17714 1 52 no DBJ BAF62360 . "prion protein, transcript variant 2 [Pan troglodytes verus]" . . . . . 96.60 253 97.89 100.00 3.46e-98 . . . . 17714 1 53 no DBJ BAG32276 . "prion [Homo sapiens]" . . . . . 96.60 253 99.30 100.00 2.17e-99 . . . . 17714 1 54 no DBJ BAG32277 . "prion [Homo sapiens]" . . . . . 96.60 253 98.59 100.00 9.47e-99 . . . . 17714 1 55 no DBJ BAG32278 . "alternatively spliced variant form of prion [Homo sapiens]" . . . . . 87.07 230 99.22 100.00 6.78e-89 . . . . 17714 1 56 no EMBL CAA58442 . "prion protein [Homo sapiens]" . . . . . 96.60 245 99.30 100.00 2.19e-99 . . . . 17714 1 57 no EMBL CAG46836 . "PRNP [Homo sapiens]" . . . . . 96.60 253 97.89 99.30 2.48e-96 . . . . 17714 1 58 no EMBL CAG46869 . "PRNP [Homo sapiens]" . . . . . 96.60 253 98.59 100.00 9.47e-99 . . . . 17714 1 59 no GB AAA19664 . "prion protein [Homo sapiens]" . . . . . 96.60 245 98.59 99.30 6.77e-97 . . . . 17714 1 60 no GB AAA60182 . "prion protein [Homo sapiens]" . . . . . 96.60 253 99.30 100.00 2.17e-99 . . . . 17714 1 61 no GB AAA68632 . "major prion protein precursor [Pan troglodytes]" . . . . . 96.60 253 97.89 100.00 3.46e-98 . . . . 17714 1 62 no GB AAA68633 . "major prion protein precursor [Gorilla gorilla]" . . . . . 96.60 253 98.59 100.00 5.93e-99 . . . . 17714 1 63 no GB AAB59442 . "prion protein, partial [Homo sapiens]" . . . . . 96.60 224 99.30 100.00 1.37e-99 . . . . 17714 1 64 no REF NP_000302 . "major prion protein preproprotein [Homo sapiens]" . . . . . 96.60 253 99.30 100.00 2.17e-99 . . . . 17714 1 65 no REF NP_001009093 . "major prion protein preproprotein [Pan troglodytes]" . . . . . 96.60 253 97.89 100.00 3.46e-98 . . . . 17714 1 66 no REF NP_001073590 . "major prion protein preproprotein [Homo sapiens]" . . . . . 96.60 253 99.30 100.00 2.17e-99 . . . . 17714 1 67 no REF NP_001073591 . "major prion protein preproprotein [Homo sapiens]" . . . . . 96.60 253 99.30 100.00 2.17e-99 . . . . 17714 1 68 no REF NP_001073592 . "major prion protein preproprotein [Homo sapiens]" . . . . . 96.60 253 99.30 100.00 2.17e-99 . . . . 17714 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_" . . . . . 96.60 253 99.30 100.00 2.17e-99 . . . . 17714 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" . . . . . 96.60 253 98.59 100.00 6.26e-99 . . . . 17714 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" . . . . . 96.60 253 97.89 100.00 3.46e-98 . . . . 17714 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" . . . . . 96.60 253 97.89 100.00 3.46e-98 . . . . 17714 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" . . . . . 96.60 253 97.89 100.00 3.46e-98 . . . . 17714 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 85 GLY . 17714 1 2 86 ALA . 17714 1 3 87 MET . 17714 1 4 88 ASP . 17714 1 5 89 PRO . 17714 1 6 90 GLY . 17714 1 7 91 GLN . 17714 1 8 92 GLY . 17714 1 9 93 GLY . 17714 1 10 94 GLY . 17714 1 11 95 THR . 17714 1 12 96 HIS . 17714 1 13 97 SER . 17714 1 14 98 GLN . 17714 1 15 99 TRP . 17714 1 16 100 ASN . 17714 1 17 101 LYS . 17714 1 18 102 PRO . 17714 1 19 103 SER . 17714 1 20 104 LYS . 17714 1 21 105 PRO . 17714 1 22 106 LYS . 17714 1 23 107 THR . 17714 1 24 108 ASN . 17714 1 25 109 MET . 17714 1 26 110 LYS . 17714 1 27 111 HIS . 17714 1 28 112 MET . 17714 1 29 113 ALA . 17714 1 30 114 GLY . 17714 1 31 115 ALA . 17714 1 32 116 ALA . 17714 1 33 117 ALA . 17714 1 34 118 ALA . 17714 1 35 119 GLY . 17714 1 36 120 ALA . 17714 1 37 121 VAL . 17714 1 38 122 VAL . 17714 1 39 123 GLY . 17714 1 40 124 GLY . 17714 1 41 125 LEU . 17714 1 42 126 GLY . 17714 1 43 127 GLY . 17714 1 44 128 TYR . 17714 1 45 129 MET . 17714 1 46 130 LEU . 17714 1 47 131 GLY . 17714 1 48 132 SER . 17714 1 49 133 ALA . 17714 1 50 134 MET . 17714 1 51 135 SER . 17714 1 52 136 ARG . 17714 1 53 137 PRO . 17714 1 54 138 ILE . 17714 1 55 139 ILE . 17714 1 56 140 HIS . 17714 1 57 141 PHE . 17714 1 58 142 GLY . 17714 1 59 143 SER . 17714 1 60 144 ASP . 17714 1 61 145 TYR . 17714 1 62 146 GLU . 17714 1 63 147 ASP . 17714 1 64 148 ARG . 17714 1 65 149 TYR . 17714 1 66 150 TYR . 17714 1 67 151 ARG . 17714 1 68 152 GLU . 17714 1 69 153 ASN . 17714 1 70 154 MET . 17714 1 71 155 HIS . 17714 1 72 156 ARG . 17714 1 73 157 TYR . 17714 1 74 158 PRO . 17714 1 75 159 ASN . 17714 1 76 160 GLN . 17714 1 77 161 VAL . 17714 1 78 162 TYR . 17714 1 79 163 TYR . 17714 1 80 164 ARG . 17714 1 81 165 PRO . 17714 1 82 166 MET . 17714 1 83 167 ASP . 17714 1 84 168 GLU . 17714 1 85 169 TYR . 17714 1 86 170 SER . 17714 1 87 171 ASN . 17714 1 88 172 GLN . 17714 1 89 173 ASN . 17714 1 90 174 ASN . 17714 1 91 175 PHE . 17714 1 92 176 VAL . 17714 1 93 177 HIS . 17714 1 94 178 ASP . 17714 1 95 179 CYS . 17714 1 96 180 VAL . 17714 1 97 181 ASN . 17714 1 98 182 ILE . 17714 1 99 183 THR . 17714 1 100 184 ILE . 17714 1 101 185 LYS . 17714 1 102 186 GLN . 17714 1 103 187 HIS . 17714 1 104 188 THR . 17714 1 105 189 VAL . 17714 1 106 190 THR . 17714 1 107 191 THR . 17714 1 108 192 THR . 17714 1 109 193 THR . 17714 1 110 194 LYS . 17714 1 111 195 GLY . 17714 1 112 196 GLU . 17714 1 113 197 ASN . 17714 1 114 198 PHE . 17714 1 115 199 THR . 17714 1 116 200 GLU . 17714 1 117 201 THR . 17714 1 118 202 ASP . 17714 1 119 203 VAL . 17714 1 120 204 LYS . 17714 1 121 205 MET . 17714 1 122 206 MET . 17714 1 123 207 GLU . 17714 1 124 208 ARG . 17714 1 125 209 VAL . 17714 1 126 210 ILE . 17714 1 127 211 GLU . 17714 1 128 212 GLN . 17714 1 129 213 MET . 17714 1 130 214 CYS . 17714 1 131 215 ILE . 17714 1 132 216 THR . 17714 1 133 217 GLN . 17714 1 134 218 TYR . 17714 1 135 219 GLU . 17714 1 136 220 ARG . 17714 1 137 221 GLU . 17714 1 138 222 SER . 17714 1 139 223 GLN . 17714 1 140 224 ALA . 17714 1 141 225 TYR . 17714 1 142 226 TYR . 17714 1 143 227 GLN . 17714 1 144 228 ARG . 17714 1 145 229 GLY . 17714 1 146 230 SER . 17714 1 147 231 SER . 17714 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 17714 1 . ALA 2 2 17714 1 . MET 3 3 17714 1 . ASP 4 4 17714 1 . PRO 5 5 17714 1 . GLY 6 6 17714 1 . GLN 7 7 17714 1 . GLY 8 8 17714 1 . GLY 9 9 17714 1 . GLY 10 10 17714 1 . THR 11 11 17714 1 . HIS 12 12 17714 1 . SER 13 13 17714 1 . GLN 14 14 17714 1 . TRP 15 15 17714 1 . ASN 16 16 17714 1 . LYS 17 17 17714 1 . PRO 18 18 17714 1 . SER 19 19 17714 1 . LYS 20 20 17714 1 . PRO 21 21 17714 1 . LYS 22 22 17714 1 . THR 23 23 17714 1 . ASN 24 24 17714 1 . MET 25 25 17714 1 . LYS 26 26 17714 1 . HIS 27 27 17714 1 . MET 28 28 17714 1 . ALA 29 29 17714 1 . GLY 30 30 17714 1 . ALA 31 31 17714 1 . ALA 32 32 17714 1 . ALA 33 33 17714 1 . ALA 34 34 17714 1 . GLY 35 35 17714 1 . ALA 36 36 17714 1 . VAL 37 37 17714 1 . VAL 38 38 17714 1 . GLY 39 39 17714 1 . GLY 40 40 17714 1 . LEU 41 41 17714 1 . GLY 42 42 17714 1 . GLY 43 43 17714 1 . TYR 44 44 17714 1 . MET 45 45 17714 1 . LEU 46 46 17714 1 . GLY 47 47 17714 1 . SER 48 48 17714 1 . ALA 49 49 17714 1 . MET 50 50 17714 1 . SER 51 51 17714 1 . ARG 52 52 17714 1 . PRO 53 53 17714 1 . ILE 54 54 17714 1 . ILE 55 55 17714 1 . HIS 56 56 17714 1 . PHE 57 57 17714 1 . GLY 58 58 17714 1 . SER 59 59 17714 1 . ASP 60 60 17714 1 . TYR 61 61 17714 1 . GLU 62 62 17714 1 . ASP 63 63 17714 1 . ARG 64 64 17714 1 . TYR 65 65 17714 1 . TYR 66 66 17714 1 . ARG 67 67 17714 1 . GLU 68 68 17714 1 . ASN 69 69 17714 1 . MET 70 70 17714 1 . HIS 71 71 17714 1 . ARG 72 72 17714 1 . TYR 73 73 17714 1 . PRO 74 74 17714 1 . ASN 75 75 17714 1 . GLN 76 76 17714 1 . VAL 77 77 17714 1 . TYR 78 78 17714 1 . TYR 79 79 17714 1 . ARG 80 80 17714 1 . PRO 81 81 17714 1 . MET 82 82 17714 1 . ASP 83 83 17714 1 . GLU 84 84 17714 1 . TYR 85 85 17714 1 . SER 86 86 17714 1 . ASN 87 87 17714 1 . GLN 88 88 17714 1 . ASN 89 89 17714 1 . ASN 90 90 17714 1 . PHE 91 91 17714 1 . VAL 92 92 17714 1 . HIS 93 93 17714 1 . ASP 94 94 17714 1 . CYS 95 95 17714 1 . VAL 96 96 17714 1 . ASN 97 97 17714 1 . ILE 98 98 17714 1 . THR 99 99 17714 1 . ILE 100 100 17714 1 . LYS 101 101 17714 1 . GLN 102 102 17714 1 . HIS 103 103 17714 1 . THR 104 104 17714 1 . VAL 105 105 17714 1 . THR 106 106 17714 1 . THR 107 107 17714 1 . THR 108 108 17714 1 . THR 109 109 17714 1 . LYS 110 110 17714 1 . GLY 111 111 17714 1 . GLU 112 112 17714 1 . ASN 113 113 17714 1 . PHE 114 114 17714 1 . THR 115 115 17714 1 . GLU 116 116 17714 1 . THR 117 117 17714 1 . ASP 118 118 17714 1 . VAL 119 119 17714 1 . LYS 120 120 17714 1 . MET 121 121 17714 1 . MET 122 122 17714 1 . GLU 123 123 17714 1 . ARG 124 124 17714 1 . VAL 125 125 17714 1 . ILE 126 126 17714 1 . GLU 127 127 17714 1 . GLN 128 128 17714 1 . MET 129 129 17714 1 . CYS 130 130 17714 1 . ILE 131 131 17714 1 . THR 132 132 17714 1 . GLN 133 133 17714 1 . TYR 134 134 17714 1 . GLU 135 135 17714 1 . ARG 136 136 17714 1 . GLU 137 137 17714 1 . SER 138 138 17714 1 . GLN 139 139 17714 1 . ALA 140 140 17714 1 . TYR 141 141 17714 1 . TYR 142 142 17714 1 . GLN 143 143 17714 1 . ARG 144 144 17714 1 . GLY 145 145 17714 1 . SER 146 146 17714 1 . SER 147 147 17714 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 17714 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HuPrP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17714 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 17714 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HuPrP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pProExHTa . . . . . . 17714 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17714 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium acetic buffer, pH 5.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HuPrP '[U-100% 13C; U-100% 15N]' . . 1 $HuPrP . . 0.6 . . mM . . . . 17714 1 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 17714 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17714 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17714 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17714 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium acetic buffer, pD 5.9' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HuPrP '[U-100% 13C; U-100% 15N]' . . 1 $HuPrP . . 0.6 . . mM . . . . 17714 2 2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 17714 2 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17714 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 17714 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17714 1 pH 5.5 . pH 17714 1 pressure 1 . atm 17714 1 temperature 298 . K 17714 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 17714 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 17714 2 pD 5.9 . pH 17714 2 temperature 298 . K 17714 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17714 _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' . . 17714 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17714 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17714 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17714 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17714 2 'peak picking' 17714 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17714 _Software.ID 3 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17714 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17714 3 stop_ save_ save_YASARA _Software.Sf_category software _Software.Sf_framecode YASARA _Software.Entry_ID 17714 _Software.ID 4 _Software.Name YASARA _Software.Version 11.5.22 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID (YASARA) . . 17714 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17714 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 17714 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 17714 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17714 5 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 17714 _Software.ID 6 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 17714 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17714 6 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 17714 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17714 _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 . . . 17714 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 17714 _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 . . . . . . . . . . . . . . . . 17714 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17714 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17714 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17714 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17714 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17714 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17714 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17714 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17714 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17714 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17714 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 17714 _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 external indirect 0.251449530 . . . . . . . . . 17714 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . . . . . 17714 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . . . . . 17714 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 17714 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17714 1 2 '2D 1H-13C HSQC aliphatic' . . . 17714 1 3 '2D 1H-13C HSQC aromatic' . . . 17714 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.614 0.02 . 1 . . . . 86 ALA H . 17714 1 2 . 1 1 2 2 ALA HA H 1 4.295 0.02 . 1 . . . . 86 ALA HA . 17714 1 3 . 1 1 2 2 ALA HB1 H 1 1.380 0.02 . 1 . . . . 86 ALA HB . 17714 1 4 . 1 1 2 2 ALA HB2 H 1 1.380 0.02 . 1 . . . . 86 ALA HB . 17714 1 5 . 1 1 2 2 ALA HB3 H 1 1.380 0.02 . 1 . . . . 86 ALA HB . 17714 1 6 . 1 1 2 2 ALA CA C 13 52.649 0.20 . 1 . . . . 86 ALA CA . 17714 1 7 . 1 1 2 2 ALA CB C 13 19.285 0.20 . 1 . . . . 86 ALA CB . 17714 1 8 . 1 1 2 2 ALA N N 15 123.505 0.20 . 1 . . . . 86 ALA N . 17714 1 9 . 1 1 3 3 MET H H 1 8.448 0.02 . 1 . . . . 87 MET H . 17714 1 10 . 1 1 3 3 MET HA H 1 4.464 0.02 . 1 . . . . 87 MET HA . 17714 1 11 . 1 1 3 3 MET HB2 H 1 2.064 0.02 . 2 . . . . 87 MET HB2 . 17714 1 12 . 1 1 3 3 MET HB3 H 1 1.961 0.02 . 2 . . . . 87 MET HB3 . 17714 1 13 . 1 1 3 3 MET HG2 H 1 2.563 0.02 . 2 . . . . 87 MET HG2 . 17714 1 14 . 1 1 3 3 MET HG3 H 1 2.491 0.02 . 2 . . . . 87 MET HG3 . 17714 1 15 . 1 1 3 3 MET HE1 H 1 2.006 0.02 . 1 . . . . 87 MET HE . 17714 1 16 . 1 1 3 3 MET HE2 H 1 2.006 0.02 . 1 . . . . 87 MET HE . 17714 1 17 . 1 1 3 3 MET HE3 H 1 2.006 0.02 . 1 . . . . 87 MET HE . 17714 1 18 . 1 1 3 3 MET CA C 13 55.143 0.20 . 1 . . . . 87 MET CA . 17714 1 19 . 1 1 3 3 MET CB C 13 32.762 0.20 . 1 . . . . 87 MET CB . 17714 1 20 . 1 1 3 3 MET CG C 13 32.096 0.20 . 1 . . . . 87 MET CG . 17714 1 21 . 1 1 3 3 MET CE C 13 17.736 0.20 . 1 . . . . 87 MET CE . 17714 1 22 . 1 1 3 3 MET N N 15 118.564 0.20 . 1 . . . . 87 MET N . 17714 1 23 . 1 1 4 4 ASP H H 1 8.191 0.02 . 1 . . . . 88 ASP H . 17714 1 24 . 1 1 4 4 ASP HA H 1 4.850 0.02 . 1 . . . . 88 ASP HA . 17714 1 25 . 1 1 4 4 ASP HB2 H 1 2.719 0.02 . 2 . . . . 88 ASP HB2 . 17714 1 26 . 1 1 4 4 ASP HB3 H 1 2.578 0.02 . 2 . . . . 88 ASP HB3 . 17714 1 27 . 1 1 4 4 ASP CA C 13 52.357 0.20 . 1 . . . . 88 ASP CA . 17714 1 28 . 1 1 4 4 ASP CB C 13 41.147 0.20 . 1 . . . . 88 ASP CB . 17714 1 29 . 1 1 4 4 ASP N N 15 123.158 0.20 . 1 . . . . 88 ASP N . 17714 1 30 . 1 1 5 5 PRO HA H 1 4.416 0.02 . 1 . . . . 89 PRO HA . 17714 1 31 . 1 1 5 5 PRO HB2 H 1 2.281 0.02 . 2 . . . . 89 PRO HB2 . 17714 1 32 . 1 1 5 5 PRO HB3 H 1 1.880 0.02 . 2 . . . . 89 PRO HB3 . 17714 1 33 . 1 1 5 5 PRO HG2 H 1 2.015 0.02 . 2 . . . . 89 PRO HG2 . 17714 1 34 . 1 1 5 5 PRO HG3 H 1 2.015 0.02 . 2 . . . . 89 PRO HG3 . 17714 1 35 . 1 1 5 5 PRO HD2 H 1 3.785 0.02 . 2 . . . . 89 PRO HD2 . 17714 1 36 . 1 1 5 5 PRO HD3 H 1 3.785 0.02 . 2 . . . . 89 PRO HD3 . 17714 1 37 . 1 1 5 5 PRO CA C 13 63.841 0.20 . 1 . . . . 89 PRO CA . 17714 1 38 . 1 1 5 5 PRO CB C 13 32.054 0.20 . 1 . . . . 89 PRO CB . 17714 1 39 . 1 1 5 5 PRO CG C 13 27.343 0.20 . 1 . . . . 89 PRO CG . 17714 1 40 . 1 1 5 5 PRO CD C 13 50.833 0.20 . 1 . . . . 89 PRO CD . 17714 1 41 . 1 1 6 6 GLY H H 1 8.513 0.02 . 1 . . . . 90 GLY H . 17714 1 42 . 1 1 6 6 GLY HA2 H 1 3.930 0.02 . 2 . . . . 90 GLY HA2 . 17714 1 43 . 1 1 6 6 GLY HA3 H 1 3.930 0.02 . 2 . . . . 90 GLY HA3 . 17714 1 44 . 1 1 6 6 GLY CA C 13 45.314 0.20 . 1 . . . . 90 GLY CA . 17714 1 45 . 1 1 6 6 GLY N N 15 108.575 0.20 . 1 . . . . 90 GLY N . 17714 1 46 . 1 1 7 7 GLN H H 1 8.121 0.02 . 1 . . . . 91 GLN H . 17714 1 47 . 1 1 7 7 GLN HA H 1 4.336 0.02 . 1 . . . . 91 GLN HA . 17714 1 48 . 1 1 7 7 GLN HB2 H 1 2.169 0.02 . 2 . . . . 91 GLN HB2 . 17714 1 49 . 1 1 7 7 GLN HB3 H 1 1.989 0.02 . 2 . . . . 91 GLN HB3 . 17714 1 50 . 1 1 7 7 GLN HG2 H 1 2.364 0.02 . 2 . . . . 91 GLN HG2 . 17714 1 51 . 1 1 7 7 GLN HG3 H 1 2.353 0.02 . 2 . . . . 91 GLN HG3 . 17714 1 52 . 1 1 7 7 GLN CA C 13 56.009 0.20 . 1 . . . . 91 GLN CA . 17714 1 53 . 1 1 7 7 GLN CB C 13 29.329 0.20 . 1 . . . . 91 GLN CB . 17714 1 54 . 1 1 7 7 GLN CG C 13 33.837 0.20 . 1 . . . . 91 GLN CG . 17714 1 55 . 1 1 7 7 GLN N N 15 119.514 0.20 . 1 . . . . 91 GLN N . 17714 1 56 . 1 1 8 8 GLY H H 1 8.463 0.02 . 1 . . . . 92 GLY H . 17714 1 57 . 1 1 8 8 GLY HA2 H 1 3.977 0.02 . 2 . . . . 92 GLY HA2 . 17714 1 58 . 1 1 8 8 GLY HA3 H 1 3.977 0.02 . 2 . . . . 92 GLY HA3 . 17714 1 59 . 1 1 8 8 GLY CA C 13 45.320 0.20 . 1 . . . . 92 GLY CA . 17714 1 60 . 1 1 8 8 GLY N N 15 109.760 0.20 . 1 . . . . 92 GLY N . 17714 1 61 . 1 1 9 9 GLY H H 1 8.306 0.02 . 1 . . . . 93 GLY H . 17714 1 62 . 1 1 9 9 GLY HA2 H 1 4.013 0.02 . 2 . . . . 93 GLY HA2 . 17714 1 63 . 1 1 9 9 GLY HA3 H 1 3.934 0.02 . 2 . . . . 93 GLY HA3 . 17714 1 64 . 1 1 9 9 GLY CA C 13 45.346 0.20 . 1 . . . . 93 GLY CA . 17714 1 65 . 1 1 9 9 GLY N N 15 108.709 0.20 . 1 . . . . 93 GLY N . 17714 1 66 . 1 1 10 10 GLY H H 1 8.312 0.02 . 1 . . . . 94 GLY H . 17714 1 67 . 1 1 10 10 GLY HA2 H 1 3.978 0.02 . 2 . . . . 94 GLY HA2 . 17714 1 68 . 1 1 10 10 GLY HA3 H 1 3.978 0.02 . 2 . . . . 94 GLY HA3 . 17714 1 69 . 1 1 10 10 GLY CA C 13 45.364 0.20 . 1 . . . . 94 GLY CA . 17714 1 70 . 1 1 10 10 GLY N N 15 108.696 0.20 . 1 . . . . 94 GLY N . 17714 1 71 . 1 1 11 11 THR H H 1 8.096 0.02 . 1 . . . . 95 THR H . 17714 1 72 . 1 1 11 11 THR HA H 1 4.272 0.02 . 1 . . . . 95 THR HA . 17714 1 73 . 1 1 11 11 THR HB H 1 4.164 0.02 . 1 . . . . 95 THR HB . 17714 1 74 . 1 1 11 11 THR HG21 H 1 1.147 0.02 . 1 . . . . 95 THR HG2 . 17714 1 75 . 1 1 11 11 THR HG22 H 1 1.147 0.02 . 1 . . . . 95 THR HG2 . 17714 1 76 . 1 1 11 11 THR HG23 H 1 1.147 0.02 . 1 . . . . 95 THR HG2 . 17714 1 77 . 1 1 11 11 THR CA C 13 62.079 0.20 . 1 . . . . 95 THR CA . 17714 1 78 . 1 1 11 11 THR CB C 13 69.520 0.20 . 1 . . . . 95 THR CB . 17714 1 79 . 1 1 11 11 THR CG2 C 13 21.548 0.20 . 1 . . . . 95 THR CG2 . 17714 1 80 . 1 1 11 11 THR N N 15 113.382 0.20 . 1 . . . . 95 THR N . 17714 1 81 . 1 1 12 12 HIS H H 1 8.497 0.02 . 1 . . . . 96 HIS H . 17714 1 82 . 1 1 12 12 HIS HA H 1 4.710 0.02 . 1 . . . . 96 HIS HA . 17714 1 83 . 1 1 12 12 HIS HB2 H 1 3.131 0.02 . 2 . . . . 96 HIS HB2 . 17714 1 84 . 1 1 12 12 HIS HB3 H 1 3.131 0.02 . 2 . . . . 96 HIS HB3 . 17714 1 85 . 1 1 12 12 HIS HD2 H 1 7.133 0.02 . 1 . . . . 96 HIS HD2 . 17714 1 86 . 1 1 12 12 HIS CA C 13 55.332 0.20 . 1 . . . . 96 HIS CA . 17714 1 87 . 1 1 12 12 HIS CB C 13 29.114 0.20 . 1 . . . . 96 HIS CB . 17714 1 88 . 1 1 12 12 HIS CD2 C 13 119.845 0.20 . 1 . . . . 96 HIS CD2 . 17714 1 89 . 1 1 12 12 HIS N N 15 120.663 0.20 . 1 . . . . 96 HIS N . 17714 1 90 . 1 1 13 13 SER H H 1 8.255 0.02 . 1 . . . . 97 SER H . 17714 1 91 . 1 1 13 13 SER HA H 1 4.375 0.02 . 1 . . . . 97 SER HA . 17714 1 92 . 1 1 13 13 SER HB2 H 1 3.805 0.02 . 2 . . . . 97 SER HB2 . 17714 1 93 . 1 1 13 13 SER HB3 H 1 3.756 0.02 . 2 . . . . 97 SER HB3 . 17714 1 94 . 1 1 13 13 SER CA C 13 58.520 0.20 . 1 . . . . 97 SER CA . 17714 1 95 . 1 1 13 13 SER CB C 13 63.724 0.20 . 1 . . . . 97 SER CB . 17714 1 96 . 1 1 13 13 SER N N 15 116.790 0.20 . 1 . . . . 97 SER N . 17714 1 97 . 1 1 14 14 GLN H H 1 8.452 0.02 . 1 . . . . 98 GLN H . 17714 1 98 . 1 1 14 14 GLN HA H 1 4.275 0.02 . 1 . . . . 98 GLN HA . 17714 1 99 . 1 1 14 14 GLN HB2 H 1 1.952 0.02 . 2 . . . . 98 GLN HB2 . 17714 1 100 . 1 1 14 14 GLN HB3 H 1 1.859 0.02 . 2 . . . . 98 GLN HB3 . 17714 1 101 . 1 1 14 14 GLN HG2 H 1 2.149 0.02 . 2 . . . . 98 GLN HG2 . 17714 1 102 . 1 1 14 14 GLN HG3 H 1 2.149 0.02 . 2 . . . . 98 GLN HG3 . 17714 1 103 . 1 1 14 14 GLN HE21 H 1 7.215 0.02 . 2 . . . . 98 GLN HE21 . 17714 1 104 . 1 1 14 14 GLN HE22 H 1 7.323 0.02 . 2 . . . . 98 GLN HE22 . 17714 1 105 . 1 1 14 14 GLN CA C 13 56.116 0.20 . 1 . . . . 98 GLN CA . 17714 1 106 . 1 1 14 14 GLN CB C 13 29.194 0.20 . 1 . . . . 98 GLN CB . 17714 1 107 . 1 1 14 14 GLN CG C 13 33.539 0.20 . 1 . . . . 98 GLN CG . 17714 1 108 . 1 1 14 14 GLN N N 15 121.973 0.20 . 1 . . . . 98 GLN N . 17714 1 109 . 1 1 14 14 GLN NE2 N 15 110.654 0.20 . 1 . . . . 98 GLN NE2 . 17714 1 110 . 1 1 15 15 TRP H H 1 8.066 0.02 . 1 . . . . 99 TRP H . 17714 1 111 . 1 1 15 15 TRP HA H 1 4.671 0.02 . 1 . . . . 99 TRP HA . 17714 1 112 . 1 1 15 15 TRP HB2 H 1 3.295 0.02 . 2 . . . . 99 TRP HB2 . 17714 1 113 . 1 1 15 15 TRP HB3 H 1 3.191 0.02 . 2 . . . . 99 TRP HB3 . 17714 1 114 . 1 1 15 15 TRP HD1 H 1 7.228 0.02 . 1 . . . . 99 TRP HD1 . 17714 1 115 . 1 1 15 15 TRP HE1 H 1 10.096 0.02 . 1 . . . . 99 TRP HE1 . 17714 1 116 . 1 1 15 15 TRP HE3 H 1 7.597 0.02 . 1 . . . . 99 TRP HE3 . 17714 1 117 . 1 1 15 15 TRP HZ2 H 1 7.449 0.02 . 1 . . . . 99 TRP HZ2 . 17714 1 118 . 1 1 15 15 TRP HZ3 H 1 7.114 0.02 . 1 . . . . 99 TRP HZ3 . 17714 1 119 . 1 1 15 15 TRP HH2 H 1 7.201 0.02 . 1 . . . . 99 TRP HH2 . 17714 1 120 . 1 1 15 15 TRP CA C 13 57.154 0.20 . 1 . . . . 99 TRP CA . 17714 1 121 . 1 1 15 15 TRP CB C 13 29.465 0.20 . 1 . . . . 99 TRP CB . 17714 1 122 . 1 1 15 15 TRP CD1 C 13 126.917 0.20 . 1 . . . . 99 TRP CD1 . 17714 1 123 . 1 1 15 15 TRP CE3 C 13 120.877 0.20 . 1 . . . . 99 TRP CE3 . 17714 1 124 . 1 1 15 15 TRP CZ2 C 13 114.544 0.20 . 1 . . . . 99 TRP CZ2 . 17714 1 125 . 1 1 15 15 TRP CZ3 C 13 122.017 0.20 . 1 . . . . 99 TRP CZ3 . 17714 1 126 . 1 1 15 15 TRP CH2 C 13 124.650 0.20 . 1 . . . . 99 TRP CH2 . 17714 1 127 . 1 1 15 15 TRP N N 15 121.479 0.20 . 1 . . . . 99 TRP N . 17714 1 128 . 1 1 15 15 TRP NE1 N 15 129.287 0.20 . 1 . . . . 99 TRP NE1 . 17714 1 129 . 1 1 16 16 ASN H H 1 8.080 0.02 . 1 . . . . 100 ASN H . 17714 1 130 . 1 1 16 16 ASN HA H 1 4.604 0.02 . 1 . . . . 100 ASN HA . 17714 1 131 . 1 1 16 16 ASN HB2 H 1 2.554 0.02 . 2 . . . . 100 ASN HB2 . 17714 1 132 . 1 1 16 16 ASN HB3 H 1 2.534 0.02 . 2 . . . . 100 ASN HB3 . 17714 1 133 . 1 1 16 16 ASN HD21 H 1 6.812 0.02 . 2 . . . . 100 ASN HD21 . 17714 1 134 . 1 1 16 16 ASN HD22 H 1 7.438 0.02 . 2 . . . . 100 ASN HD22 . 17714 1 135 . 1 1 16 16 ASN CA C 13 52.773 0.20 . 1 . . . . 100 ASN CA . 17714 1 136 . 1 1 16 16 ASN CB C 13 38.807 0.20 . 1 . . . . 100 ASN CB . 17714 1 137 . 1 1 16 16 ASN N N 15 120.389 0.20 . 1 . . . . 100 ASN N . 17714 1 138 . 1 1 16 16 ASN ND2 N 15 112.422 0.20 . 1 . . . . 100 ASN ND2 . 17714 1 139 . 1 1 17 17 LYS H H 1 7.958 0.02 . 1 . . . . 101 LYS H . 17714 1 140 . 1 1 17 17 LYS HA H 1 4.449 0.02 . 1 . . . . 101 LYS HA . 17714 1 141 . 1 1 17 17 LYS HB2 H 1 1.762 0.02 . 2 . . . . 101 LYS HB2 . 17714 1 142 . 1 1 17 17 LYS HB3 H 1 1.633 0.02 . 2 . . . . 101 LYS HB3 . 17714 1 143 . 1 1 17 17 LYS HG2 H 1 1.364 0.02 . 2 . . . . 101 LYS HG2 . 17714 1 144 . 1 1 17 17 LYS HG3 H 1 1.364 0.02 . 2 . . . . 101 LYS HG3 . 17714 1 145 . 1 1 17 17 LYS HD2 H 1 1.692 0.02 . 2 . . . . 101 LYS HD2 . 17714 1 146 . 1 1 17 17 LYS HD3 H 1 1.661 0.02 . 2 . . . . 101 LYS HD3 . 17714 1 147 . 1 1 17 17 LYS HE2 H 1 2.967 0.02 . 2 . . . . 101 LYS HE2 . 17714 1 148 . 1 1 17 17 LYS HE3 H 1 2.967 0.02 . 2 . . . . 101 LYS HE3 . 17714 1 149 . 1 1 17 17 LYS CA C 13 54.217 0.20 . 1 . . . . 101 LYS CA . 17714 1 150 . 1 1 17 17 LYS CB C 13 32.558 0.20 . 1 . . . . 101 LYS CB . 17714 1 151 . 1 1 17 17 LYS CG C 13 24.636 0.20 . 1 . . . . 101 LYS CG . 17714 1 152 . 1 1 17 17 LYS CD C 13 29.105 0.20 . 1 . . . . 101 LYS CD . 17714 1 153 . 1 1 17 17 LYS CE C 13 41.943 0.20 . 1 . . . . 101 LYS CE . 17714 1 154 . 1 1 17 17 LYS N N 15 122.513 0.20 . 1 . . . . 101 LYS N . 17714 1 155 . 1 1 18 18 PRO HA H 1 4.430 0.02 . 1 . . . . 102 PRO HA . 17714 1 156 . 1 1 18 18 PRO HB2 H 1 2.284 0.02 . 2 . . . . 102 PRO HB2 . 17714 1 157 . 1 1 18 18 PRO HB3 H 1 1.897 0.02 . 2 . . . . 102 PRO HB3 . 17714 1 158 . 1 1 18 18 PRO HG2 H 1 2.005 0.02 . 2 . . . . 102 PRO HG2 . 17714 1 159 . 1 1 18 18 PRO HG3 H 1 2.005 0.02 . 2 . . . . 102 PRO HG3 . 17714 1 160 . 1 1 18 18 PRO HD2 H 1 3.783 0.02 . 2 . . . . 102 PRO HD2 . 17714 1 161 . 1 1 18 18 PRO HD3 H 1 3.621 0.02 . 2 . . . . 102 PRO HD3 . 17714 1 162 . 1 1 18 18 PRO CA C 13 63.190 0.20 . 1 . . . . 102 PRO CA . 17714 1 163 . 1 1 18 18 PRO CB C 13 32.222 0.20 . 1 . . . . 102 PRO CB . 17714 1 164 . 1 1 18 18 PRO CG C 13 27.379 0.20 . 1 . . . . 102 PRO CG . 17714 1 165 . 1 1 18 18 PRO CD C 13 50.754 0.20 . 1 . . . . 102 PRO CD . 17714 1 166 . 1 1 19 19 SER H H 1 8.401 0.02 . 1 . . . . 103 SER H . 17714 1 167 . 1 1 19 19 SER HA H 1 4.428 0.02 . 1 . . . . 103 SER HA . 17714 1 168 . 1 1 19 19 SER HB2 H 1 3.831 0.02 . 2 . . . . 103 SER HB2 . 17714 1 169 . 1 1 19 19 SER HB3 H 1 3.831 0.02 . 2 . . . . 103 SER HB3 . 17714 1 170 . 1 1 19 19 SER CA C 13 58.099 0.20 . 1 . . . . 103 SER CA . 17714 1 171 . 1 1 19 19 SER CB C 13 63.967 0.20 . 1 . . . . 103 SER CB . 17714 1 172 . 1 1 19 19 SER N N 15 116.774 0.20 . 1 . . . . 103 SER N . 17714 1 173 . 1 1 20 20 LYS H H 1 8.295 0.02 . 1 . . . . 104 LYS H . 17714 1 174 . 1 1 20 20 LYS HA H 1 4.619 0.02 . 1 . . . . 104 LYS HA . 17714 1 175 . 1 1 20 20 LYS HB2 H 1 1.758 0.02 . 2 . . . . 104 LYS HB2 . 17714 1 176 . 1 1 20 20 LYS HB3 H 1 1.722 0.02 . 2 . . . . 104 LYS HB3 . 17714 1 177 . 1 1 20 20 LYS HG2 H 1 1.460 0.02 . 2 . . . . 104 LYS HG2 . 17714 1 178 . 1 1 20 20 LYS HG3 H 1 1.442 0.02 . 2 . . . . 104 LYS HG3 . 17714 1 179 . 1 1 20 20 LYS HD2 H 1 1.687 0.02 . 2 . . . . 104 LYS HD2 . 17714 1 180 . 1 1 20 20 LYS HD3 H 1 1.687 0.02 . 2 . . . . 104 LYS HD3 . 17714 1 181 . 1 1 20 20 LYS HE2 H 1 3.003 0.02 . 2 . . . . 104 LYS HE2 . 17714 1 182 . 1 1 20 20 LYS HE3 H 1 2.996 0.02 . 2 . . . . 104 LYS HE3 . 17714 1 183 . 1 1 20 20 LYS CA C 13 54.231 0.20 . 1 . . . . 104 LYS CA . 17714 1 184 . 1 1 20 20 LYS CB C 13 32.941 0.20 . 1 . . . . 104 LYS CB . 17714 1 185 . 1 1 20 20 LYS CG C 13 24.944 0.20 . 1 . . . . 104 LYS CG . 17714 1 186 . 1 1 20 20 LYS CD C 13 29.157 0.20 . 1 . . . . 104 LYS CD . 17714 1 187 . 1 1 20 20 LYS CE C 13 41.983 0.20 . 1 . . . . 104 LYS CE . 17714 1 188 . 1 1 20 20 LYS N N 15 124.057 0.20 . 1 . . . . 104 LYS N . 17714 1 189 . 1 1 21 21 PRO HA H 1 4.408 0.02 . 1 . . . . 105 PRO HA . 17714 1 190 . 1 1 21 21 PRO HB2 H 1 2.284 0.02 . 2 . . . . 105 PRO HB2 . 17714 1 191 . 1 1 21 21 PRO HB3 H 1 1.894 0.02 . 2 . . . . 105 PRO HB3 . 17714 1 192 . 1 1 21 21 PRO HG2 H 1 2.016 0.02 . 2 . . . . 105 PRO HG2 . 17714 1 193 . 1 1 21 21 PRO HG3 H 1 2.016 0.02 . 2 . . . . 105 PRO HG3 . 17714 1 194 . 1 1 21 21 PRO HD2 H 1 3.620 0.02 . 2 . . . . 105 PRO HD2 . 17714 1 195 . 1 1 21 21 PRO HD3 H 1 3.865 0.02 . 2 . . . . 105 PRO HD3 . 17714 1 196 . 1 1 21 21 PRO CA C 13 63.111 0.20 . 1 . . . . 105 PRO CA . 17714 1 197 . 1 1 21 21 PRO CB C 13 32.256 0.20 . 1 . . . . 105 PRO CB . 17714 1 198 . 1 1 21 21 PRO CG C 13 27.390 0.20 . 1 . . . . 105 PRO CG . 17714 1 199 . 1 1 21 21 PRO CD C 13 50.856 0.20 . 1 . . . . 105 PRO CD . 17714 1 200 . 1 1 22 22 LYS H H 1 8.500 0.02 . 1 . . . . 106 LYS H . 17714 1 201 . 1 1 22 22 LYS HA H 1 4.339 0.02 . 1 . . . . 106 LYS HA . 17714 1 202 . 1 1 22 22 LYS HB2 H 1 1.744 0.02 . 2 . . . . 106 LYS HB2 . 17714 1 203 . 1 1 22 22 LYS HB3 H 1 1.861 0.02 . 2 . . . . 106 LYS HB3 . 17714 1 204 . 1 1 22 22 LYS HG2 H 1 1.502 0.02 . 2 . . . . 106 LYS HG2 . 17714 1 205 . 1 1 22 22 LYS HG3 H 1 1.450 0.02 . 2 . . . . 106 LYS HG3 . 17714 1 206 . 1 1 22 22 LYS HD2 H 1 1.692 0.02 . 2 . . . . 106 LYS HD2 . 17714 1 207 . 1 1 22 22 LYS HD3 H 1 1.662 0.02 . 2 . . . . 106 LYS HD3 . 17714 1 208 . 1 1 22 22 LYS HE2 H 1 2.967 0.02 . 2 . . . . 106 LYS HE2 . 17714 1 209 . 1 1 22 22 LYS HE3 H 1 2.967 0.02 . 2 . . . . 106 LYS HE3 . 17714 1 210 . 1 1 22 22 LYS CA C 13 56.280 0.20 . 1 . . . . 106 LYS CA . 17714 1 211 . 1 1 22 22 LYS CB C 13 33.024 0.20 . 1 . . . . 106 LYS CB . 17714 1 212 . 1 1 22 22 LYS CG C 13 24.855 0.20 . 1 . . . . 106 LYS CG . 17714 1 213 . 1 1 22 22 LYS CD C 13 29.116 0.20 . 1 . . . . 106 LYS CD . 17714 1 214 . 1 1 22 22 LYS CE C 13 42.027 0.20 . 1 . . . . 106 LYS CE . 17714 1 215 . 1 1 22 22 LYS N N 15 122.002 0.20 . 1 . . . . 106 LYS N . 17714 1 216 . 1 1 23 23 THR H H 1 8.118 0.02 . 1 . . . . 107 THR H . 17714 1 217 . 1 1 23 23 THR HA H 1 4.324 0.02 . 1 . . . . 107 THR HA . 17714 1 218 . 1 1 23 23 THR HB H 1 4.167 0.02 . 1 . . . . 107 THR HB . 17714 1 219 . 1 1 23 23 THR HG21 H 1 1.178 0.02 . 1 . . . . 107 THR HG2 . 17714 1 220 . 1 1 23 23 THR HG22 H 1 1.178 0.02 . 1 . . . . 107 THR HG2 . 17714 1 221 . 1 1 23 23 THR HG23 H 1 1.178 0.02 . 1 . . . . 107 THR HG2 . 17714 1 222 . 1 1 23 23 THR CA C 13 61.636 0.20 . 1 . . . . 107 THR CA . 17714 1 223 . 1 1 23 23 THR CB C 13 69.771 0.20 . 1 . . . . 107 THR CB . 17714 1 224 . 1 1 23 23 THR CG2 C 13 21.583 0.20 . 1 . . . . 107 THR CG2 . 17714 1 225 . 1 1 23 23 THR N N 15 115.105 0.20 . 1 . . . . 107 THR N . 17714 1 226 . 1 1 24 24 ASN H H 1 8.516 0.02 . 1 . . . . 108 ASN H . 17714 1 227 . 1 1 24 24 ASN HA H 1 4.712 0.02 . 1 . . . . 108 ASN HA . 17714 1 228 . 1 1 24 24 ASN HB2 H 1 2.835 0.02 . 2 . . . . 108 ASN HB2 . 17714 1 229 . 1 1 24 24 ASN HB3 H 1 2.760 0.02 . 2 . . . . 108 ASN HB3 . 17714 1 230 . 1 1 24 24 ASN HD21 H 1 7.577 0.02 . 2 . . . . 108 ASN HD21 . 17714 1 231 . 1 1 24 24 ASN HD22 H 1 6.879 0.02 . 2 . . . . 108 ASN HD22 . 17714 1 232 . 1 1 24 24 ASN CA C 13 53.145 0.20 . 1 . . . . 108 ASN CA . 17714 1 233 . 1 1 24 24 ASN CB C 13 38.771 0.20 . 1 . . . . 108 ASN CB . 17714 1 234 . 1 1 24 24 ASN N N 15 121.228 0.20 . 1 . . . . 108 ASN N . 17714 1 235 . 1 1 24 24 ASN ND2 N 15 112.580 0.20 . 1 . . . . 108 ASN ND2 . 17714 1 236 . 1 1 25 25 MET H H 1 8.324 0.02 . 1 . . . . 109 MET H . 17714 1 237 . 1 1 25 25 MET HA H 1 4.435 0.02 . 1 . . . . 109 MET HA . 17714 1 238 . 1 1 25 25 MET HB2 H 1 2.003 0.02 . 2 . . . . 109 MET HB2 . 17714 1 239 . 1 1 25 25 MET HB3 H 1 1.965 0.02 . 2 . . . . 109 MET HB3 . 17714 1 240 . 1 1 25 25 MET HG2 H 1 2.563 0.02 . 2 . . . . 109 MET HG2 . 17714 1 241 . 1 1 25 25 MET HG3 H 1 2.490 0.02 . 2 . . . . 109 MET HG3 . 17714 1 242 . 1 1 25 25 MET HE1 H 1 2.073 0.02 . 1 . . . . 109 MET HE . 17714 1 243 . 1 1 25 25 MET HE2 H 1 2.073 0.02 . 1 . . . . 109 MET HE . 17714 1 244 . 1 1 25 25 MET HE3 H 1 2.073 0.02 . 1 . . . . 109 MET HE . 17714 1 245 . 1 1 25 25 MET CA C 13 55.565 0.20 . 1 . . . . 109 MET CA . 17714 1 246 . 1 1 25 25 MET CB C 13 32.811 0.20 . 1 . . . . 109 MET CB . 17714 1 247 . 1 1 25 25 MET CG C 13 32.037 0.20 . 1 . . . . 109 MET CG . 17714 1 248 . 1 1 25 25 MET CE C 13 16.988 0.20 . 1 . . . . 109 MET CE . 17714 1 249 . 1 1 25 25 MET N N 15 121.188 0.20 . 1 . . . . 109 MET N . 17714 1 250 . 1 1 26 26 LYS H H 1 8.284 0.02 . 1 . . . . 110 LYS H . 17714 1 251 . 1 1 26 26 LYS HA H 1 4.234 0.02 . 1 . . . . 110 LYS HA . 17714 1 252 . 1 1 26 26 LYS HB2 H 1 1.723 0.02 . 2 . . . . 110 LYS HB2 . 17714 1 253 . 1 1 26 26 LYS HB3 H 1 1.753 0.02 . 2 . . . . 110 LYS HB3 . 17714 1 254 . 1 1 26 26 LYS HG2 H 1 1.406 0.02 . 2 . . . . 110 LYS HG2 . 17714 1 255 . 1 1 26 26 LYS HG3 H 1 1.342 0.02 . 2 . . . . 110 LYS HG3 . 17714 1 256 . 1 1 26 26 LYS HD2 H 1 1.692 0.02 . 2 . . . . 110 LYS HD2 . 17714 1 257 . 1 1 26 26 LYS HD3 H 1 1.662 0.02 . 2 . . . . 110 LYS HD3 . 17714 1 258 . 1 1 26 26 LYS HE2 H 1 2.973 0.02 . 2 . . . . 110 LYS HE2 . 17714 1 259 . 1 1 26 26 LYS HE3 H 1 2.960 0.02 . 2 . . . . 110 LYS HE3 . 17714 1 260 . 1 1 26 26 LYS CA C 13 56.468 0.20 . 1 . . . . 110 LYS CA . 17714 1 261 . 1 1 26 26 LYS CB C 13 33.001 0.20 . 1 . . . . 110 LYS CB . 17714 1 262 . 1 1 26 26 LYS CG C 13 24.903 0.20 . 1 . . . . 110 LYS CG . 17714 1 263 . 1 1 26 26 LYS CD C 13 29.048 0.20 . 1 . . . . 110 LYS CD . 17714 1 264 . 1 1 26 26 LYS CE C 13 42.063 0.20 . 1 . . . . 110 LYS CE . 17714 1 265 . 1 1 26 26 LYS N N 15 122.137 0.20 . 1 . . . . 110 LYS N . 17714 1 266 . 1 1 27 27 HIS H H 1 8.427 0.02 . 1 . . . . 111 HIS H . 17714 1 267 . 1 1 27 27 HIS HA H 1 4.658 0.02 . 1 . . . . 111 HIS HA . 17714 1 268 . 1 1 27 27 HIS HB2 H 1 3.208 0.02 . 2 . . . . 111 HIS HB2 . 17714 1 269 . 1 1 27 27 HIS HB3 H 1 3.190 0.02 . 2 . . . . 111 HIS HB3 . 17714 1 270 . 1 1 27 27 HIS HD2 H 1 7.133 0.02 . 1 . . . . 111 HIS HD2 . 17714 1 271 . 1 1 27 27 HIS CA C 13 55.368 0.20 . 1 . . . . 111 HIS CA . 17714 1 272 . 1 1 27 27 HIS CB C 13 29.515 0.20 . 1 . . . . 111 HIS CB . 17714 1 273 . 1 1 27 27 HIS CD2 C 13 119.845 0.20 . 1 . . . . 111 HIS CD2 . 17714 1 274 . 1 1 27 27 HIS N N 15 119.887 0.20 . 1 . . . . 111 HIS N . 17714 1 275 . 1 1 28 28 MET H H 1 8.347 0.02 . 1 . . . . 112 MET H . 17714 1 276 . 1 1 28 28 MET HA H 1 4.464 0.02 . 1 . . . . 112 MET HA . 17714 1 277 . 1 1 28 28 MET HB2 H 1 2.059 0.02 . 2 . . . . 112 MET HB2 . 17714 1 278 . 1 1 28 28 MET HB3 H 1 1.957 0.02 . 2 . . . . 112 MET HB3 . 17714 1 279 . 1 1 28 28 MET HG2 H 1 2.565 0.02 . 2 . . . . 112 MET HG2 . 17714 1 280 . 1 1 28 28 MET HG3 H 1 2.490 0.02 . 2 . . . . 112 MET HG3 . 17714 1 281 . 1 1 28 28 MET HE1 H 1 2.073 0.02 . 1 . . . . 112 MET HE . 17714 1 282 . 1 1 28 28 MET HE2 H 1 2.073 0.02 . 1 . . . . 112 MET HE . 17714 1 283 . 1 1 28 28 MET HE3 H 1 2.073 0.02 . 1 . . . . 112 MET HE . 17714 1 284 . 1 1 28 28 MET CA C 13 55.165 0.20 . 1 . . . . 112 MET CA . 17714 1 285 . 1 1 28 28 MET CB C 13 33.002 0.20 . 1 . . . . 112 MET CB . 17714 1 286 . 1 1 28 28 MET CG C 13 32.060 0.20 . 1 . . . . 112 MET CG . 17714 1 287 . 1 1 28 28 MET CE C 13 17.048 0.20 . 1 . . . . 112 MET CE . 17714 1 288 . 1 1 28 28 MET N N 15 122.440 0.20 . 1 . . . . 112 MET N . 17714 1 289 . 1 1 29 29 ALA H H 1 8.382 0.02 . 1 . . . . 113 ALA H . 17714 1 290 . 1 1 29 29 ALA HA H 1 4.295 0.02 . 1 . . . . 113 ALA HA . 17714 1 291 . 1 1 29 29 ALA HB1 H 1 1.381 0.02 . 1 . . . . 113 ALA HB . 17714 1 292 . 1 1 29 29 ALA HB2 H 1 1.381 0.02 . 1 . . . . 113 ALA HB . 17714 1 293 . 1 1 29 29 ALA HB3 H 1 1.381 0.02 . 1 . . . . 113 ALA HB . 17714 1 294 . 1 1 29 29 ALA CA C 13 52.682 0.20 . 1 . . . . 113 ALA CA . 17714 1 295 . 1 1 29 29 ALA CB C 13 19.292 0.20 . 1 . . . . 113 ALA CB . 17714 1 296 . 1 1 29 29 ALA N N 15 125.614 0.20 . 1 . . . . 113 ALA N . 17714 1 297 . 1 1 30 30 GLY H H 1 8.378 0.02 . 1 . . . . 114 GLY H . 17714 1 298 . 1 1 30 30 GLY HA2 H 1 3.936 0.02 . 2 . . . . 114 GLY HA2 . 17714 1 299 . 1 1 30 30 GLY HA3 H 1 3.924 0.02 . 2 . . . . 114 GLY HA3 . 17714 1 300 . 1 1 30 30 GLY CA C 13 45.256 0.20 . 1 . . . . 114 GLY CA . 17714 1 301 . 1 1 30 30 GLY N N 15 108.485 0.20 . 1 . . . . 114 GLY N . 17714 1 302 . 1 1 31 31 ALA H H 1 8.123 0.02 . 1 . . . . 115 ALA H . 17714 1 303 . 1 1 31 31 ALA HA H 1 4.293 0.02 . 1 . . . . 115 ALA HA . 17714 1 304 . 1 1 31 31 ALA HB1 H 1 1.381 0.02 . 1 . . . . 115 ALA HB . 17714 1 305 . 1 1 31 31 ALA HB2 H 1 1.381 0.02 . 1 . . . . 115 ALA HB . 17714 1 306 . 1 1 31 31 ALA HB3 H 1 1.381 0.02 . 1 . . . . 115 ALA HB . 17714 1 307 . 1 1 31 31 ALA CA C 13 52.600 0.20 . 1 . . . . 115 ALA CA . 17714 1 308 . 1 1 31 31 ALA CB C 13 19.356 0.20 . 1 . . . . 115 ALA CB . 17714 1 309 . 1 1 31 31 ALA N N 15 123.808 0.20 . 1 . . . . 115 ALA N . 17714 1 310 . 1 1 32 32 ALA H H 1 8.174 0.02 . 1 . . . . 116 ALA H . 17714 1 311 . 1 1 32 32 ALA HA H 1 4.295 0.02 . 1 . . . . 116 ALA HA . 17714 1 312 . 1 1 32 32 ALA HB1 H 1 1.384 0.02 . 1 . . . . 116 ALA HB . 17714 1 313 . 1 1 32 32 ALA HB2 H 1 1.384 0.02 . 1 . . . . 116 ALA HB . 17714 1 314 . 1 1 32 32 ALA HB3 H 1 1.384 0.02 . 1 . . . . 116 ALA HB . 17714 1 315 . 1 1 32 32 ALA CA C 13 52.532 0.20 . 1 . . . . 116 ALA CA . 17714 1 316 . 1 1 32 32 ALA CB C 13 19.259 0.20 . 1 . . . . 116 ALA CB . 17714 1 317 . 1 1 32 32 ALA N N 15 123.151 0.20 . 1 . . . . 116 ALA N . 17714 1 318 . 1 1 33 33 ALA H H 1 8.207 0.02 . 1 . . . . 117 ALA H . 17714 1 319 . 1 1 33 33 ALA HA H 1 4.285 0.02 . 1 . . . . 117 ALA HA . 17714 1 320 . 1 1 33 33 ALA HB1 H 1 1.384 0.02 . 1 . . . . 117 ALA HB . 17714 1 321 . 1 1 33 33 ALA HB2 H 1 1.384 0.02 . 1 . . . . 117 ALA HB . 17714 1 322 . 1 1 33 33 ALA HB3 H 1 1.384 0.02 . 1 . . . . 117 ALA HB . 17714 1 323 . 1 1 33 33 ALA CA C 13 52.559 0.20 . 1 . . . . 117 ALA CA . 17714 1 324 . 1 1 33 33 ALA CB C 13 19.284 0.20 . 1 . . . . 117 ALA CB . 17714 1 325 . 1 1 33 33 ALA N N 15 123.151 0.20 . 1 . . . . 117 ALA N . 17714 1 326 . 1 1 34 34 ALA H H 1 8.260 0.02 . 1 . . . . 118 ALA H . 17714 1 327 . 1 1 34 34 ALA HA H 1 4.297 0.02 . 1 . . . . 118 ALA HA . 17714 1 328 . 1 1 34 34 ALA HB1 H 1 1.374 0.02 . 1 . . . . 118 ALA HB . 17714 1 329 . 1 1 34 34 ALA HB2 H 1 1.374 0.02 . 1 . . . . 118 ALA HB . 17714 1 330 . 1 1 34 34 ALA HB3 H 1 1.374 0.02 . 1 . . . . 118 ALA HB . 17714 1 331 . 1 1 34 34 ALA CA C 13 52.626 0.20 . 1 . . . . 118 ALA CA . 17714 1 332 . 1 1 34 34 ALA CB C 13 19.230 0.20 . 1 . . . . 118 ALA CB . 17714 1 333 . 1 1 34 34 ALA N N 15 123.074 0.20 . 1 . . . . 118 ALA N . 17714 1 334 . 1 1 35 35 GLY H H 1 8.248 0.02 . 1 . . . . 119 GLY H . 17714 1 335 . 1 1 35 35 GLY HA2 H 1 3.936 0.02 . 2 . . . . 119 GLY HA2 . 17714 1 336 . 1 1 35 35 GLY HA3 H 1 3.924 0.02 . 2 . . . . 119 GLY HA3 . 17714 1 337 . 1 1 35 35 GLY CA C 13 45.282 0.20 . 1 . . . . 119 GLY CA . 17714 1 338 . 1 1 35 35 GLY N N 15 107.856 0.20 . 1 . . . . 119 GLY N . 17714 1 339 . 1 1 36 36 ALA H H 1 8.049 0.02 . 1 . . . . 120 ALA H . 17714 1 340 . 1 1 36 36 ALA HA H 1 4.373 0.02 . 1 . . . . 120 ALA HA . 17714 1 341 . 1 1 36 36 ALA HB1 H 1 1.378 0.02 . 1 . . . . 120 ALA HB . 17714 1 342 . 1 1 36 36 ALA HB2 H 1 1.378 0.02 . 1 . . . . 120 ALA HB . 17714 1 343 . 1 1 36 36 ALA HB3 H 1 1.378 0.02 . 1 . . . . 120 ALA HB . 17714 1 344 . 1 1 36 36 ALA CA C 13 52.274 0.20 . 1 . . . . 120 ALA CA . 17714 1 345 . 1 1 36 36 ALA CB C 13 19.375 0.20 . 1 . . . . 120 ALA CB . 17714 1 346 . 1 1 36 36 ALA N N 15 123.476 0.20 . 1 . . . . 120 ALA N . 17714 1 347 . 1 1 37 37 VAL H H 1 8.103 0.02 . 1 . . . . 121 VAL H . 17714 1 348 . 1 1 37 37 VAL HA H 1 4.137 0.02 . 1 . . . . 121 VAL HA . 17714 1 349 . 1 1 37 37 VAL HB H 1 2.003 0.02 . 1 . . . . 121 VAL HB . 17714 1 350 . 1 1 37 37 VAL HG11 H 1 0.893 0.02 . 2 . . . . 121 VAL HG1 . 17714 1 351 . 1 1 37 37 VAL HG12 H 1 0.893 0.02 . 2 . . . . 121 VAL HG1 . 17714 1 352 . 1 1 37 37 VAL HG13 H 1 0.893 0.02 . 2 . . . . 121 VAL HG1 . 17714 1 353 . 1 1 37 37 VAL HG21 H 1 0.848 0.02 . 2 . . . . 121 VAL HG2 . 17714 1 354 . 1 1 37 37 VAL HG22 H 1 0.848 0.02 . 2 . . . . 121 VAL HG2 . 17714 1 355 . 1 1 37 37 VAL HG23 H 1 0.848 0.02 . 2 . . . . 121 VAL HG2 . 17714 1 356 . 1 1 37 37 VAL CA C 13 62.209 0.20 . 1 . . . . 121 VAL CA . 17714 1 357 . 1 1 37 37 VAL CB C 13 32.802 0.20 . 1 . . . . 121 VAL CB . 17714 1 358 . 1 1 37 37 VAL CG1 C 13 20.779 0.20 . 2 . . . . 121 VAL CG1 . 17714 1 359 . 1 1 37 37 VAL CG2 C 13 21.278 0.20 . 2 . . . . 121 VAL CG2 . 17714 1 360 . 1 1 37 37 VAL N N 15 119.560 0.20 . 1 . . . . 121 VAL N . 17714 1 361 . 1 1 38 38 VAL H H 1 8.246 0.02 . 1 . . . . 122 VAL H . 17714 1 362 . 1 1 38 38 VAL HA H 1 4.087 0.02 . 1 . . . . 122 VAL HA . 17714 1 363 . 1 1 38 38 VAL HB H 1 1.984 0.02 . 1 . . . . 122 VAL HB . 17714 1 364 . 1 1 38 38 VAL HG11 H 1 0.893 0.02 . 2 . . . . 122 VAL HG1 . 17714 1 365 . 1 1 38 38 VAL HG12 H 1 0.893 0.02 . 2 . . . . 122 VAL HG1 . 17714 1 366 . 1 1 38 38 VAL HG13 H 1 0.893 0.02 . 2 . . . . 122 VAL HG1 . 17714 1 367 . 1 1 38 38 VAL HG21 H 1 0.848 0.02 . 2 . . . . 122 VAL HG2 . 17714 1 368 . 1 1 38 38 VAL HG22 H 1 0.848 0.02 . 2 . . . . 122 VAL HG2 . 17714 1 369 . 1 1 38 38 VAL HG23 H 1 0.848 0.02 . 2 . . . . 122 VAL HG2 . 17714 1 370 . 1 1 38 38 VAL CA C 13 62.455 0.20 . 1 . . . . 122 VAL CA . 17714 1 371 . 1 1 38 38 VAL CB C 13 32.753 0.20 . 1 . . . . 122 VAL CB . 17714 1 372 . 1 1 38 38 VAL CG1 C 13 20.800 0.20 . 2 . . . . 122 VAL CG1 . 17714 1 373 . 1 1 38 38 VAL CG2 C 13 21.301 0.20 . 2 . . . . 122 VAL CG2 . 17714 1 374 . 1 1 38 38 VAL N N 15 124.610 0.20 . 1 . . . . 122 VAL N . 17714 1 375 . 1 1 39 39 GLY H H 1 8.554 0.02 . 1 . . . . 123 GLY H . 17714 1 376 . 1 1 39 39 GLY HA2 H 1 3.931 0.02 . 2 . . . . 123 GLY HA2 . 17714 1 377 . 1 1 39 39 GLY HA3 H 1 3.931 0.02 . 2 . . . . 123 GLY HA3 . 17714 1 378 . 1 1 39 39 GLY CA C 13 45.291 0.20 . 1 . . . . 123 GLY CA . 17714 1 379 . 1 1 39 39 GLY N N 15 113.357 0.20 . 1 . . . . 123 GLY N . 17714 1 380 . 1 1 40 40 GLY H H 1 8.249 0.02 . 1 . . . . 124 GLY H . 17714 1 381 . 1 1 40 40 GLY HA2 H 1 3.936 0.02 . 2 . . . . 124 GLY HA2 . 17714 1 382 . 1 1 40 40 GLY HA3 H 1 3.936 0.02 . 2 . . . . 124 GLY HA3 . 17714 1 383 . 1 1 40 40 GLY CA C 13 45.305 0.20 . 1 . . . . 124 GLY CA . 17714 1 384 . 1 1 40 40 GLY N N 15 108.401 0.20 . 1 . . . . 124 GLY N . 17714 1 385 . 1 1 41 41 LEU H H 1 8.182 0.02 . 1 . . . . 125 LEU H . 17714 1 386 . 1 1 41 41 LEU HA H 1 4.376 0.02 . 1 . . . . 125 LEU HA . 17714 1 387 . 1 1 41 41 LEU HB2 H 1 1.551 0.02 . 2 . . . . 125 LEU HB2 . 17714 1 388 . 1 1 41 41 LEU HB3 H 1 1.617 0.02 . 2 . . . . 125 LEU HB3 . 17714 1 389 . 1 1 41 41 LEU HG H 1 1.510 0.02 . 1 . . . . 125 LEU HG . 17714 1 390 . 1 1 41 41 LEU HD11 H 1 0.706 0.02 . 2 . . . . 125 LEU HD1 . 17714 1 391 . 1 1 41 41 LEU HD12 H 1 0.706 0.02 . 2 . . . . 125 LEU HD1 . 17714 1 392 . 1 1 41 41 LEU HD13 H 1 0.706 0.02 . 2 . . . . 125 LEU HD1 . 17714 1 393 . 1 1 41 41 LEU HD21 H 1 0.605 0.02 . 2 . . . . 125 LEU HD2 . 17714 1 394 . 1 1 41 41 LEU HD22 H 1 0.605 0.02 . 2 . . . . 125 LEU HD2 . 17714 1 395 . 1 1 41 41 LEU HD23 H 1 0.605 0.02 . 2 . . . . 125 LEU HD2 . 17714 1 396 . 1 1 41 41 LEU CA C 13 54.875 0.20 . 1 . . . . 125 LEU CA . 17714 1 397 . 1 1 41 41 LEU CB C 13 42.587 0.20 . 1 . . . . 125 LEU CB . 17714 1 398 . 1 1 41 41 LEU CG C 13 27.009 0.20 . 1 . . . . 125 LEU CG . 17714 1 399 . 1 1 41 41 LEU CD1 C 13 24.794 0.20 . 2 . . . . 125 LEU CD1 . 17714 1 400 . 1 1 41 41 LEU CD2 C 13 23.594 0.20 . 2 . . . . 125 LEU CD2 . 17714 1 401 . 1 1 41 41 LEU N N 15 121.788 0.20 . 1 . . . . 125 LEU N . 17714 1 402 . 1 1 42 42 GLY H H 1 8.488 0.02 . 1 . . . . 126 GLY H . 17714 1 403 . 1 1 42 42 GLY HA2 H 1 3.927 0.02 . 2 . . . . 126 GLY HA2 . 17714 1 404 . 1 1 42 42 GLY HA3 H 1 3.839 0.02 . 2 . . . . 126 GLY HA3 . 17714 1 405 . 1 1 42 42 GLY CA C 13 46.047 0.20 . 1 . . . . 126 GLY CA . 17714 1 406 . 1 1 42 42 GLY N N 15 109.719 0.20 . 1 . . . . 126 GLY N . 17714 1 407 . 1 1 43 43 GLY H H 1 8.298 0.02 . 1 . . . . 127 GLY H . 17714 1 408 . 1 1 43 43 GLY HA2 H 1 3.736 0.02 . 2 . . . . 127 GLY HA2 . 17714 1 409 . 1 1 43 43 GLY HA3 H 1 3.931 0.02 . 2 . . . . 127 GLY HA3 . 17714 1 410 . 1 1 43 43 GLY CA C 13 45.112 0.20 . 1 . . . . 127 GLY CA . 17714 1 411 . 1 1 43 43 GLY N N 15 108.892 0.20 . 1 . . . . 127 GLY N . 17714 1 412 . 1 1 44 44 TYR H H 1 7.691 0.02 . 1 . . . . 128 TYR H . 17714 1 413 . 1 1 44 44 TYR HA H 1 4.492 0.02 . 1 . . . . 128 TYR HA . 17714 1 414 . 1 1 44 44 TYR HB2 H 1 2.844 0.02 . 2 . . . . 128 TYR HB2 . 17714 1 415 . 1 1 44 44 TYR HB3 H 1 2.951 0.02 . 2 . . . . 128 TYR HB3 . 17714 1 416 . 1 1 44 44 TYR HD1 H 1 6.813 0.02 . 3 . . . . 128 TYR HD1 . 17714 1 417 . 1 1 44 44 TYR HD2 H 1 6.813 0.02 . 3 . . . . 128 TYR HD2 . 17714 1 418 . 1 1 44 44 TYR HE1 H 1 6.658 0.02 . 3 . . . . 128 TYR HE1 . 17714 1 419 . 1 1 44 44 TYR HE2 H 1 6.658 0.02 . 3 . . . . 128 TYR HE2 . 17714 1 420 . 1 1 44 44 TYR CA C 13 58.264 0.20 . 1 . . . . 128 TYR CA . 17714 1 421 . 1 1 44 44 TYR CB C 13 40.430 0.20 . 1 . . . . 128 TYR CB . 17714 1 422 . 1 1 44 44 TYR CD1 C 13 132.839 0.20 . 3 . . . . 128 TYR CD1 . 17714 1 423 . 1 1 44 44 TYR CD2 C 13 132.839 0.20 . 3 . . . . 128 TYR CD2 . 17714 1 424 . 1 1 44 44 TYR CE1 C 13 118.066 0.20 . 3 . . . . 128 TYR CE1 . 17714 1 425 . 1 1 44 44 TYR CE2 C 13 118.066 0.20 . 3 . . . . 128 TYR CE2 . 17714 1 426 . 1 1 44 44 TYR N N 15 117.459 0.20 . 1 . . . . 128 TYR N . 17714 1 427 . 1 1 45 45 MET H H 1 8.977 0.02 . 1 . . . . 129 MET H . 17714 1 428 . 1 1 45 45 MET HA H 1 4.549 0.02 . 1 . . . . 129 MET HA . 17714 1 429 . 1 1 45 45 MET HB2 H 1 1.549 0.02 . 2 . . . . 129 MET HB2 . 17714 1 430 . 1 1 45 45 MET HB3 H 1 0.905 0.02 . 2 . . . . 129 MET HB3 . 17714 1 431 . 1 1 45 45 MET HG2 H 1 2.286 0.02 . 2 . . . . 129 MET HG2 . 17714 1 432 . 1 1 45 45 MET HG3 H 1 2.211 0.02 . 2 . . . . 129 MET HG3 . 17714 1 433 . 1 1 45 45 MET HE1 H 1 1.995 0.02 . 1 . . . . 129 MET HE . 17714 1 434 . 1 1 45 45 MET HE2 H 1 1.995 0.02 . 1 . . . . 129 MET HE . 17714 1 435 . 1 1 45 45 MET HE3 H 1 1.995 0.02 . 1 . . . . 129 MET HE . 17714 1 436 . 1 1 45 45 MET CA C 13 53.664 0.20 . 1 . . . . 129 MET CA . 17714 1 437 . 1 1 45 45 MET CB C 13 34.752 0.20 . 1 . . . . 129 MET CB . 17714 1 438 . 1 1 45 45 MET CG C 13 32.305 0.20 . 1 . . . . 129 MET CG . 17714 1 439 . 1 1 45 45 MET CE C 13 17.266 0.20 . 1 . . . . 129 MET CE . 17714 1 440 . 1 1 45 45 MET N N 15 120.735 0.20 . 1 . . . . 129 MET N . 17714 1 441 . 1 1 46 46 LEU H H 1 8.050 0.02 . 1 . . . . 130 LEU H . 17714 1 442 . 1 1 46 46 LEU HA H 1 4.460 0.02 . 1 . . . . 130 LEU HA . 17714 1 443 . 1 1 46 46 LEU HB2 H 1 1.606 0.02 . 2 . . . . 130 LEU HB2 . 17714 1 444 . 1 1 46 46 LEU HB3 H 1 0.952 0.02 . 2 . . . . 130 LEU HB3 . 17714 1 445 . 1 1 46 46 LEU HG H 1 1.371 0.02 . 1 . . . . 130 LEU HG . 17714 1 446 . 1 1 46 46 LEU HD11 H 1 -0.032 0.02 . 2 . . . . 130 LEU HD1 . 17714 1 447 . 1 1 46 46 LEU HD12 H 1 -0.032 0.02 . 2 . . . . 130 LEU HD1 . 17714 1 448 . 1 1 46 46 LEU HD13 H 1 -0.032 0.02 . 2 . . . . 130 LEU HD1 . 17714 1 449 . 1 1 46 46 LEU HD21 H 1 0.617 0.02 . 2 . . . . 130 LEU HD2 . 17714 1 450 . 1 1 46 46 LEU HD22 H 1 0.617 0.02 . 2 . . . . 130 LEU HD2 . 17714 1 451 . 1 1 46 46 LEU HD23 H 1 0.617 0.02 . 2 . . . . 130 LEU HD2 . 17714 1 452 . 1 1 46 46 LEU CA C 13 53.376 0.20 . 1 . . . . 130 LEU CA . 17714 1 453 . 1 1 46 46 LEU CB C 13 43.635 0.20 . 1 . . . . 130 LEU CB . 17714 1 454 . 1 1 46 46 LEU CG C 13 26.033 0.20 . 1 . . . . 130 LEU CG . 17714 1 455 . 1 1 46 46 LEU CD1 C 13 21.697 0.20 . 2 . . . . 130 LEU CD1 . 17714 1 456 . 1 1 46 46 LEU CD2 C 13 25.861 0.20 . 2 . . . . 130 LEU CD2 . 17714 1 457 . 1 1 46 46 LEU N N 15 121.372 0.20 . 1 . . . . 130 LEU N . 17714 1 458 . 1 1 47 47 GLY H H 1 9.339 0.02 . 1 . . . . 131 GLY H . 17714 1 459 . 1 1 47 47 GLY HA2 H 1 4.420 0.02 . 2 . . . . 131 GLY HA2 . 17714 1 460 . 1 1 47 47 GLY HA3 H 1 3.986 0.02 . 2 . . . . 131 GLY HA3 . 17714 1 461 . 1 1 47 47 GLY CA C 13 44.766 0.20 . 1 . . . . 131 GLY CA . 17714 1 462 . 1 1 47 47 GLY N N 15 115.005 0.20 . 1 . . . . 131 GLY N . 17714 1 463 . 1 1 48 48 SER H H 1 8.360 0.02 . 1 . . . . 132 SER H . 17714 1 464 . 1 1 48 48 SER HA H 1 4.412 0.02 . 1 . . . . 132 SER HA . 17714 1 465 . 1 1 48 48 SER HB2 H 1 3.967 0.02 . 2 . . . . 132 SER HB2 . 17714 1 466 . 1 1 48 48 SER HB3 H 1 3.871 0.02 . 2 . . . . 132 SER HB3 . 17714 1 467 . 1 1 48 48 SER CA C 13 58.446 0.20 . 1 . . . . 132 SER CA . 17714 1 468 . 1 1 48 48 SER CB C 13 64.024 0.20 . 1 . . . . 132 SER CB . 17714 1 469 . 1 1 48 48 SER N N 15 113.604 0.20 . 1 . . . . 132 SER N . 17714 1 470 . 1 1 49 49 ALA H H 1 8.754 0.02 . 1 . . . . 133 ALA H . 17714 1 471 . 1 1 49 49 ALA HA H 1 4.427 0.02 . 1 . . . . 133 ALA HA . 17714 1 472 . 1 1 49 49 ALA HB1 H 1 1.275 0.02 . 1 . . . . 133 ALA HB . 17714 1 473 . 1 1 49 49 ALA HB2 H 1 1.275 0.02 . 1 . . . . 133 ALA HB . 17714 1 474 . 1 1 49 49 ALA HB3 H 1 1.275 0.02 . 1 . . . . 133 ALA HB . 17714 1 475 . 1 1 49 49 ALA CA C 13 53.016 0.20 . 1 . . . . 133 ALA CA . 17714 1 476 . 1 1 49 49 ALA CB C 13 18.576 0.20 . 1 . . . . 133 ALA CB . 17714 1 477 . 1 1 49 49 ALA N N 15 125.601 0.20 . 1 . . . . 133 ALA N . 17714 1 478 . 1 1 50 50 MET H H 1 8.705 0.02 . 1 . . . . 134 MET H . 17714 1 479 . 1 1 50 50 MET HA H 1 4.741 0.02 . 1 . . . . 134 MET HA . 17714 1 480 . 1 1 50 50 MET HB2 H 1 1.996 0.02 . 2 . . . . 134 MET HB2 . 17714 1 481 . 1 1 50 50 MET HB3 H 1 2.033 0.02 . 2 . . . . 134 MET HB3 . 17714 1 482 . 1 1 50 50 MET HG2 H 1 2.460 0.02 . 2 . . . . 134 MET HG2 . 17714 1 483 . 1 1 50 50 MET HG3 H 1 2.417 0.02 . 2 . . . . 134 MET HG3 . 17714 1 484 . 1 1 50 50 MET HE1 H 1 2.150 0.02 . 1 . . . . 134 MET HE . 17714 1 485 . 1 1 50 50 MET HE2 H 1 2.150 0.02 . 1 . . . . 134 MET HE . 17714 1 486 . 1 1 50 50 MET HE3 H 1 2.150 0.02 . 1 . . . . 134 MET HE . 17714 1 487 . 1 1 50 50 MET CA C 13 53.939 0.20 . 1 . . . . 134 MET CA . 17714 1 488 . 1 1 50 50 MET CB C 13 37.027 0.20 . 1 . . . . 134 MET CB . 17714 1 489 . 1 1 50 50 MET CG C 13 31.080 0.20 . 1 . . . . 134 MET CG . 17714 1 490 . 1 1 50 50 MET CE C 13 17.768 0.20 . 1 . . . . 134 MET CE . 17714 1 491 . 1 1 50 50 MET N N 15 120.807 0.20 . 1 . . . . 134 MET N . 17714 1 492 . 1 1 51 51 SER H H 1 8.413 0.02 . 1 . . . . 135 SER H . 17714 1 493 . 1 1 51 51 SER HA H 1 4.334 0.02 . 1 . . . . 135 SER HA . 17714 1 494 . 1 1 51 51 SER HB2 H 1 3.816 0.02 . 2 . . . . 135 SER HB2 . 17714 1 495 . 1 1 51 51 SER HB3 H 1 3.733 0.02 . 2 . . . . 135 SER HB3 . 17714 1 496 . 1 1 51 51 SER CA C 13 58.579 0.20 . 1 . . . . 135 SER CA . 17714 1 497 . 1 1 51 51 SER CB C 13 63.064 0.20 . 1 . . . . 135 SER CB . 17714 1 498 . 1 1 51 51 SER N N 15 116.232 0.20 . 1 . . . . 135 SER N . 17714 1 499 . 1 1 52 52 ARG H H 1 8.631 0.02 . 1 . . . . 136 ARG H . 17714 1 500 . 1 1 52 52 ARG HA H 1 4.372 0.02 . 1 . . . . 136 ARG HA . 17714 1 501 . 1 1 52 52 ARG HB2 H 1 1.692 0.02 . 2 . . . . 136 ARG HB2 . 17714 1 502 . 1 1 52 52 ARG HB3 H 1 1.609 0.02 . 2 . . . . 136 ARG HB3 . 17714 1 503 . 1 1 52 52 ARG HG2 H 1 1.929 0.02 . 2 . . . . 136 ARG HG2 . 17714 1 504 . 1 1 52 52 ARG HG3 H 1 1.929 0.02 . 2 . . . . 136 ARG HG3 . 17714 1 505 . 1 1 52 52 ARG HD2 H 1 3.158 0.02 . 2 . . . . 136 ARG HD2 . 17714 1 506 . 1 1 52 52 ARG HD3 H 1 3.119 0.02 . 2 . . . . 136 ARG HD3 . 17714 1 507 . 1 1 52 52 ARG CA C 13 54.834 0.20 . 1 . . . . 136 ARG CA . 17714 1 508 . 1 1 52 52 ARG CB C 13 29.182 0.20 . 1 . . . . 136 ARG CB . 17714 1 509 . 1 1 52 52 ARG CG C 13 28.711 0.20 . 1 . . . . 136 ARG CG . 17714 1 510 . 1 1 52 52 ARG CD C 13 43.501 0.20 . 1 . . . . 136 ARG CD . 17714 1 511 . 1 1 52 52 ARG N N 15 126.477 0.20 . 1 . . . . 136 ARG N . 17714 1 512 . 1 1 53 53 PRO HA H 1 4.423 0.02 . 1 . . . . 137 PRO HA . 17714 1 513 . 1 1 53 53 PRO HB2 H 1 1.731 0.02 . 2 . . . . 137 PRO HB2 . 17714 1 514 . 1 1 53 53 PRO HB3 H 1 2.221 0.02 . 2 . . . . 137 PRO HB3 . 17714 1 515 . 1 1 53 53 PRO HG2 H 1 1.983 0.02 . 2 . . . . 137 PRO HG2 . 17714 1 516 . 1 1 53 53 PRO HG3 H 1 1.983 0.02 . 2 . . . . 137 PRO HG3 . 17714 1 517 . 1 1 53 53 PRO HD2 H 1 3.930 0.02 . 2 . . . . 137 PRO HD2 . 17714 1 518 . 1 1 53 53 PRO HD3 H 1 3.930 0.02 . 2 . . . . 137 PRO HD3 . 17714 1 519 . 1 1 53 53 PRO CA C 13 62.431 0.20 . 1 . . . . 137 PRO CA . 17714 1 520 . 1 1 53 53 PRO CB C 13 32.368 0.20 . 1 . . . . 137 PRO CB . 17714 1 521 . 1 1 53 53 PRO CG C 13 27.444 0.20 . 1 . . . . 137 PRO CG . 17714 1 522 . 1 1 53 53 PRO CD C 13 50.767 0.20 . 1 . . . . 137 PRO CD . 17714 1 523 . 1 1 54 54 ILE H H 1 8.623 0.02 . 1 . . . . 138 ILE H . 17714 1 524 . 1 1 54 54 ILE HA H 1 4.153 0.02 . 1 . . . . 138 ILE HA . 17714 1 525 . 1 1 54 54 ILE HB H 1 1.904 0.02 . 1 . . . . 138 ILE HB . 17714 1 526 . 1 1 54 54 ILE HG12 H 1 1.583 0.02 . 2 . . . . 138 ILE HG12 . 17714 1 527 . 1 1 54 54 ILE HG13 H 1 1.369 0.02 . 2 . . . . 138 ILE HG13 . 17714 1 528 . 1 1 54 54 ILE HG21 H 1 0.731 0.02 . 1 . . . . 138 ILE HG2 . 17714 1 529 . 1 1 54 54 ILE HG22 H 1 0.731 0.02 . 1 . . . . 138 ILE HG2 . 17714 1 530 . 1 1 54 54 ILE HG23 H 1 0.731 0.02 . 1 . . . . 138 ILE HG2 . 17714 1 531 . 1 1 54 54 ILE HD11 H 1 0.889 0.02 . 1 . . . . 138 ILE HD1 . 17714 1 532 . 1 1 54 54 ILE HD12 H 1 0.889 0.02 . 1 . . . . 138 ILE HD1 . 17714 1 533 . 1 1 54 54 ILE HD13 H 1 0.889 0.02 . 1 . . . . 138 ILE HD1 . 17714 1 534 . 1 1 54 54 ILE CA C 13 60.790 0.20 . 1 . . . . 138 ILE CA . 17714 1 535 . 1 1 54 54 ILE CB C 13 36.385 0.20 . 1 . . . . 138 ILE CB . 17714 1 536 . 1 1 54 54 ILE CG1 C 13 27.165 0.20 . 1 . . . . 138 ILE CG1 . 17714 1 537 . 1 1 54 54 ILE CG2 C 13 17.482 0.20 . 1 . . . . 138 ILE CG2 . 17714 1 538 . 1 1 54 54 ILE CD1 C 13 11.404 0.20 . 1 . . . . 138 ILE CD1 . 17714 1 539 . 1 1 54 54 ILE N N 15 122.606 0.20 . 1 . . . . 138 ILE N . 17714 1 540 . 1 1 55 55 ILE H H 1 6.485 0.02 . 1 . . . . 139 ILE H . 17714 1 541 . 1 1 55 55 ILE HA H 1 3.923 0.02 . 1 . . . . 139 ILE HA . 17714 1 542 . 1 1 55 55 ILE HB H 1 0.875 0.02 . 1 . . . . 139 ILE HB . 17714 1 543 . 1 1 55 55 ILE HG12 H 1 0.892 0.02 . 2 . . . . 139 ILE HG12 . 17714 1 544 . 1 1 55 55 ILE HG13 H 1 0.750 0.02 . 2 . . . . 139 ILE HG13 . 17714 1 545 . 1 1 55 55 ILE HG21 H 1 -0.039 0.02 . 1 . . . . 139 ILE HG2 . 17714 1 546 . 1 1 55 55 ILE HG22 H 1 -0.039 0.02 . 1 . . . . 139 ILE HG2 . 17714 1 547 . 1 1 55 55 ILE HG23 H 1 -0.039 0.02 . 1 . . . . 139 ILE HG2 . 17714 1 548 . 1 1 55 55 ILE HD11 H 1 0.463 0.02 . 1 . . . . 139 ILE HD1 . 17714 1 549 . 1 1 55 55 ILE HD12 H 1 0.463 0.02 . 1 . . . . 139 ILE HD1 . 17714 1 550 . 1 1 55 55 ILE HD13 H 1 0.463 0.02 . 1 . . . . 139 ILE HD1 . 17714 1 551 . 1 1 55 55 ILE CA C 13 58.806 0.20 . 1 . . . . 139 ILE CA . 17714 1 552 . 1 1 55 55 ILE CB C 13 39.470 0.20 . 1 . . . . 139 ILE CB . 17714 1 553 . 1 1 55 55 ILE CG1 C 13 26.708 0.20 . 1 . . . . 139 ILE CG1 . 17714 1 554 . 1 1 55 55 ILE CG2 C 13 17.243 0.20 . 1 . . . . 139 ILE CG2 . 17714 1 555 . 1 1 55 55 ILE CD1 C 13 12.703 0.20 . 1 . . . . 139 ILE CD1 . 17714 1 556 . 1 1 55 55 ILE N N 15 126.567 0.20 . 1 . . . . 139 ILE N . 17714 1 557 . 1 1 56 56 HIS H H 1 8.223 0.02 . 1 . . . . 140 HIS H . 17714 1 558 . 1 1 56 56 HIS HA H 1 4.919 0.02 . 1 . . . . 140 HIS HA . 17714 1 559 . 1 1 56 56 HIS HB2 H 1 2.948 0.02 . 2 . . . . 140 HIS HB2 . 17714 1 560 . 1 1 56 56 HIS HB3 H 1 3.296 0.02 . 2 . . . . 140 HIS HB3 . 17714 1 561 . 1 1 56 56 HIS HD2 H 1 7.216 0.02 . 1 . . . . 140 HIS HD2 . 17714 1 562 . 1 1 56 56 HIS HE1 H 1 8.473 0.02 . 1 . . . . 140 HIS HE1 . 17714 1 563 . 1 1 56 56 HIS CA C 13 54.157 0.20 . 1 . . . . 140 HIS CA . 17714 1 564 . 1 1 56 56 HIS CB C 13 29.486 0.20 . 1 . . . . 140 HIS CB . 17714 1 565 . 1 1 56 56 HIS CD2 C 13 119.694 0.20 . 1 . . . . 140 HIS CD2 . 17714 1 566 . 1 1 56 56 HIS CE1 C 13 136.389 0.20 . 1 . . . . 140 HIS CE1 . 17714 1 567 . 1 1 56 56 HIS N N 15 122.010 0.20 . 1 . . . . 140 HIS N . 17714 1 568 . 1 1 57 57 PHE H H 1 10.126 0.02 . 1 . . . . 141 PHE H . 17714 1 569 . 1 1 57 57 PHE HA H 1 4.360 0.02 . 1 . . . . 141 PHE HA . 17714 1 570 . 1 1 57 57 PHE HB2 H 1 2.967 0.02 . 2 . . . . 141 PHE HB2 . 17714 1 571 . 1 1 57 57 PHE HB3 H 1 2.742 0.02 . 2 . . . . 141 PHE HB3 . 17714 1 572 . 1 1 57 57 PHE HD1 H 1 7.314 0.02 . 3 . . . . 141 PHE HD1 . 17714 1 573 . 1 1 57 57 PHE HD2 H 1 7.313 0.02 . 3 . . . . 141 PHE HD2 . 17714 1 574 . 1 1 57 57 PHE HE1 H 1 6.887 0.02 . 3 . . . . 141 PHE HE1 . 17714 1 575 . 1 1 57 57 PHE HE2 H 1 6.887 0.02 . 3 . . . . 141 PHE HE2 . 17714 1 576 . 1 1 57 57 PHE HZ H 1 6.690 0.02 . 1 . . . . 141 PHE HZ . 17714 1 577 . 1 1 57 57 PHE CA C 13 59.307 0.20 . 1 . . . . 141 PHE CA . 17714 1 578 . 1 1 57 57 PHE CB C 13 41.953 0.20 . 1 . . . . 141 PHE CB . 17714 1 579 . 1 1 57 57 PHE CD1 C 13 132.091 0.20 . 3 . . . . 141 PHE CD1 . 17714 1 580 . 1 1 57 57 PHE CD2 C 13 132.086 0.20 . 3 . . . . 141 PHE CD2 . 17714 1 581 . 1 1 57 57 PHE CE1 C 13 131.359 0.20 . 3 . . . . 141 PHE CE1 . 17714 1 582 . 1 1 57 57 PHE CE2 C 13 131.359 0.20 . 3 . . . . 141 PHE CE2 . 17714 1 583 . 1 1 57 57 PHE CZ C 13 129.296 0.20 . 1 . . . . 141 PHE CZ . 17714 1 584 . 1 1 57 57 PHE N N 15 124.340 0.20 . 1 . . . . 141 PHE N . 17714 1 585 . 1 1 58 58 GLY H H 1 8.989 0.02 . 1 . . . . 142 GLY H . 17714 1 586 . 1 1 58 58 GLY HA2 H 1 4.155 0.02 . 2 . . . . 142 GLY HA2 . 17714 1 587 . 1 1 58 58 GLY HA3 H 1 3.834 0.02 . 2 . . . . 142 GLY HA3 . 17714 1 588 . 1 1 58 58 GLY CA C 13 45.689 0.20 . 1 . . . . 142 GLY CA . 17714 1 589 . 1 1 58 58 GLY N N 15 108.332 0.20 . 1 . . . . 142 GLY N . 17714 1 590 . 1 1 59 59 SER H H 1 7.323 0.02 . 1 . . . . 143 SER H . 17714 1 591 . 1 1 59 59 SER HA H 1 4.808 0.02 . 1 . . . . 143 SER HA . 17714 1 592 . 1 1 59 59 SER HB2 H 1 4.116 0.02 . 2 . . . . 143 SER HB2 . 17714 1 593 . 1 1 59 59 SER HB3 H 1 3.924 0.02 . 2 . . . . 143 SER HB3 . 17714 1 594 . 1 1 59 59 SER CA C 13 56.654 0.20 . 1 . . . . 143 SER CA . 17714 1 595 . 1 1 59 59 SER CB C 13 66.028 0.20 . 1 . . . . 143 SER CB . 17714 1 596 . 1 1 59 59 SER N N 15 111.807 0.20 . 1 . . . . 143 SER N . 17714 1 597 . 1 1 60 60 ASP H H 1 9.000 0.02 . 1 . . . . 144 ASP H . 17714 1 598 . 1 1 60 60 ASP HA H 1 4.500 0.02 . 1 . . . . 144 ASP HA . 17714 1 599 . 1 1 60 60 ASP HB2 H 1 2.741 0.02 . 2 . . . . 144 ASP HB2 . 17714 1 600 . 1 1 60 60 ASP HB3 H 1 2.718 0.02 . 2 . . . . 144 ASP HB3 . 17714 1 601 . 1 1 60 60 ASP CA C 13 57.621 0.20 . 1 . . . . 144 ASP CA . 17714 1 602 . 1 1 60 60 ASP CB C 13 40.980 0.20 . 1 . . . . 144 ASP CB . 17714 1 603 . 1 1 60 60 ASP N N 15 124.251 0.20 . 1 . . . . 144 ASP N . 17714 1 604 . 1 1 61 61 TYR H H 1 8.540 0.02 . 1 . . . . 145 TYR H . 17714 1 605 . 1 1 61 61 TYR HA H 1 4.192 0.02 . 1 . . . . 145 TYR HA . 17714 1 606 . 1 1 61 61 TYR HB2 H 1 2.847 0.02 . 2 . . . . 145 TYR HB2 . 17714 1 607 . 1 1 61 61 TYR HB3 H 1 3.250 0.02 . 2 . . . . 145 TYR HB3 . 17714 1 608 . 1 1 61 61 TYR HD1 H 1 7.051 0.02 . 3 . . . . 145 TYR HD1 . 17714 1 609 . 1 1 61 61 TYR HD2 H 1 7.051 0.02 . 3 . . . . 145 TYR HD2 . 17714 1 610 . 1 1 61 61 TYR HE1 H 1 6.756 0.02 . 3 . . . . 145 TYR HE1 . 17714 1 611 . 1 1 61 61 TYR HE2 H 1 6.756 0.02 . 3 . . . . 145 TYR HE2 . 17714 1 612 . 1 1 61 61 TYR CA C 13 61.432 0.20 . 1 . . . . 145 TYR CA . 17714 1 613 . 1 1 61 61 TYR CB C 13 38.177 0.20 . 1 . . . . 145 TYR CB . 17714 1 614 . 1 1 61 61 TYR CD1 C 13 133.336 0.20 . 3 . . . . 145 TYR CD1 . 17714 1 615 . 1 1 61 61 TYR CD2 C 13 133.336 0.20 . 3 . . . . 145 TYR CD2 . 17714 1 616 . 1 1 61 61 TYR CE1 C 13 118.407 0.20 . 3 . . . . 145 TYR CE1 . 17714 1 617 . 1 1 61 61 TYR CE2 C 13 118.421 0.20 . 3 . . . . 145 TYR CE2 . 17714 1 618 . 1 1 61 61 TYR N N 15 118.980 0.20 . 1 . . . . 145 TYR N . 17714 1 619 . 1 1 62 62 GLU H H 1 7.736 0.02 . 1 . . . . 146 GLU H . 17714 1 620 . 1 1 62 62 GLU HA H 1 3.558 0.02 . 1 . . . . 146 GLU HA . 17714 1 621 . 1 1 62 62 GLU HB2 H 1 1.891 0.02 . 2 . . . . 146 GLU HB2 . 17714 1 622 . 1 1 62 62 GLU HB3 H 1 1.550 0.02 . 2 . . . . 146 GLU HB3 . 17714 1 623 . 1 1 62 62 GLU HG2 H 1 1.898 0.02 . 2 . . . . 146 GLU HG2 . 17714 1 624 . 1 1 62 62 GLU HG3 H 1 2.237 0.02 . 2 . . . . 146 GLU HG3 . 17714 1 625 . 1 1 62 62 GLU CA C 13 59.947 0.20 . 1 . . . . 146 GLU CA . 17714 1 626 . 1 1 62 62 GLU CB C 13 30.252 0.20 . 1 . . . . 146 GLU CB . 17714 1 627 . 1 1 62 62 GLU CG C 13 38.109 0.20 . 1 . . . . 146 GLU CG . 17714 1 628 . 1 1 62 62 GLU N N 15 119.203 0.20 . 1 . . . . 146 GLU N . 17714 1 629 . 1 1 64 64 ARG H H 1 8.179 0.02 . 1 . . . . 148 ARG H . 17714 1 630 . 1 1 64 64 ARG HA H 1 3.999 0.02 . 1 . . . . 148 ARG HA . 17714 1 631 . 1 1 64 64 ARG HB2 H 1 1.893 0.02 . 2 . . . . 148 ARG HB2 . 17714 1 632 . 1 1 64 64 ARG HB3 H 1 1.893 0.02 . 2 . . . . 148 ARG HB3 . 17714 1 633 . 1 1 64 64 ARG HG2 H 1 1.738 0.02 . 2 . . . . 148 ARG HG2 . 17714 1 634 . 1 1 64 64 ARG HG3 H 1 1.528 0.02 . 2 . . . . 148 ARG HG3 . 17714 1 635 . 1 1 64 64 ARG HD2 H 1 3.219 0.02 . 2 . . . . 148 ARG HD2 . 17714 1 636 . 1 1 64 64 ARG HD3 H 1 3.157 0.02 . 2 . . . . 148 ARG HD3 . 17714 1 637 . 1 1 64 64 ARG CA C 13 59.648 0.20 . 1 . . . . 148 ARG CA . 17714 1 638 . 1 1 64 64 ARG CB C 13 29.924 0.20 . 1 . . . . 148 ARG CB . 17714 1 639 . 1 1 64 64 ARG CG C 13 27.840 0.20 . 1 . . . . 148 ARG CG . 17714 1 640 . 1 1 64 64 ARG CD C 13 43.430 0.20 . 1 . . . . 148 ARG CD . 17714 1 641 . 1 1 64 64 ARG N N 15 120.241 0.20 . 1 . . . . 148 ARG N . 17714 1 642 . 1 1 65 65 TYR H H 1 8.318 0.02 . 1 . . . . 149 TYR H . 17714 1 643 . 1 1 65 65 TYR HA H 1 3.819 0.02 . 1 . . . . 149 TYR HA . 17714 1 644 . 1 1 65 65 TYR HB2 H 1 2.557 0.02 . 2 . . . . 149 TYR HB2 . 17714 1 645 . 1 1 65 65 TYR HB3 H 1 2.843 0.02 . 2 . . . . 149 TYR HB3 . 17714 1 646 . 1 1 65 65 TYR HD1 H 1 6.898 0.02 . 3 . . . . 149 TYR HD1 . 17714 1 647 . 1 1 65 65 TYR HD2 H 1 6.898 0.02 . 3 . . . . 149 TYR HD2 . 17714 1 648 . 1 1 65 65 TYR HE1 H 1 6.854 0.02 . 3 . . . . 149 TYR HE1 . 17714 1 649 . 1 1 65 65 TYR HE2 H 1 6.854 0.02 . 3 . . . . 149 TYR HE2 . 17714 1 650 . 1 1 65 65 TYR CA C 13 62.254 0.20 . 1 . . . . 149 TYR CA . 17714 1 651 . 1 1 65 65 TYR CB C 13 38.542 0.20 . 1 . . . . 149 TYR CB . 17714 1 652 . 1 1 65 65 TYR CD1 C 13 133.017 0.20 . 3 . . . . 149 TYR CD1 . 17714 1 653 . 1 1 65 65 TYR CD2 C 13 133.025 0.20 . 3 . . . . 149 TYR CD2 . 17714 1 654 . 1 1 65 65 TYR CE1 C 13 118.060 0.20 . 3 . . . . 149 TYR CE1 . 17714 1 655 . 1 1 65 65 TYR CE2 C 13 118.060 0.20 . 3 . . . . 149 TYR CE2 . 17714 1 656 . 1 1 65 65 TYR N N 15 121.174 0.20 . 1 . . . . 149 TYR N . 17714 1 657 . 1 1 66 66 TYR H H 1 8.932 0.02 . 1 . . . . 150 TYR H . 17714 1 658 . 1 1 66 66 TYR HA H 1 4.121 0.02 . 1 . . . . 150 TYR HA . 17714 1 659 . 1 1 66 66 TYR HB2 H 1 3.162 0.02 . 2 . . . . 150 TYR HB2 . 17714 1 660 . 1 1 66 66 TYR HB3 H 1 3.540 0.02 . 2 . . . . 150 TYR HB3 . 17714 1 661 . 1 1 66 66 TYR HD1 H 1 7.526 0.02 . 3 . . . . 150 TYR HD1 . 17714 1 662 . 1 1 66 66 TYR HD2 H 1 7.526 0.02 . 3 . . . . 150 TYR HD2 . 17714 1 663 . 1 1 66 66 TYR HE1 H 1 7.011 0.02 . 3 . . . . 150 TYR HE1 . 17714 1 664 . 1 1 66 66 TYR HE2 H 1 7.011 0.02 . 3 . . . . 150 TYR HE2 . 17714 1 665 . 1 1 66 66 TYR CA C 13 63.031 0.20 . 1 . . . . 150 TYR CA . 17714 1 666 . 1 1 66 66 TYR CB C 13 38.243 0.20 . 1 . . . . 150 TYR CB . 17714 1 667 . 1 1 66 66 TYR CD1 C 13 133.490 0.20 . 3 . . . . 150 TYR CD1 . 17714 1 668 . 1 1 66 66 TYR CD2 C 13 133.490 0.20 . 3 . . . . 150 TYR CD2 . 17714 1 669 . 1 1 66 66 TYR CE1 C 13 118.256 0.20 . 3 . . . . 150 TYR CE1 . 17714 1 670 . 1 1 66 66 TYR CE2 C 13 118.256 0.20 . 3 . . . . 150 TYR CE2 . 17714 1 671 . 1 1 66 66 TYR N N 15 120.403 0.20 . 1 . . . . 150 TYR N . 17714 1 672 . 1 1 67 67 ARG H H 1 7.938 0.02 . 1 . . . . 151 ARG H . 17714 1 673 . 1 1 67 67 ARG HA H 1 3.923 0.02 . 1 . . . . 151 ARG HA . 17714 1 674 . 1 1 67 67 ARG HB2 H 1 2.075 0.02 . 2 . . . . 151 ARG HB2 . 17714 1 675 . 1 1 67 67 ARG HB3 H 1 1.947 0.02 . 2 . . . . 151 ARG HB3 . 17714 1 676 . 1 1 67 67 ARG HG2 H 1 2.020 0.02 . 2 . . . . 151 ARG HG2 . 17714 1 677 . 1 1 67 67 ARG HG3 H 1 1.743 0.02 . 2 . . . . 151 ARG HG3 . 17714 1 678 . 1 1 67 67 ARG HD2 H 1 3.276 0.02 . 2 . . . . 151 ARG HD2 . 17714 1 679 . 1 1 67 67 ARG HD3 H 1 3.368 0.02 . 2 . . . . 151 ARG HD3 . 17714 1 680 . 1 1 67 67 ARG CA C 13 59.927 0.20 . 1 . . . . 151 ARG CA . 17714 1 681 . 1 1 67 67 ARG CB C 13 29.978 0.20 . 1 . . . . 151 ARG CB . 17714 1 682 . 1 1 67 67 ARG CG C 13 28.328 0.20 . 1 . . . . 151 ARG CG . 17714 1 683 . 1 1 67 67 ARG CD C 13 43.382 0.20 . 1 . . . . 151 ARG CD . 17714 1 684 . 1 1 67 67 ARG N N 15 117.923 0.20 . 1 . . . . 151 ARG N . 17714 1 685 . 1 1 68 68 GLU H H 1 8.045 0.02 . 1 . . . . 152 GLU H . 17714 1 686 . 1 1 68 68 GLU HA H 1 4.064 0.02 . 1 . . . . 152 GLU HA . 17714 1 687 . 1 1 68 68 GLU HB2 H 1 1.884 0.02 . 2 . . . . 152 GLU HB2 . 17714 1 688 . 1 1 68 68 GLU HB3 H 1 1.899 0.02 . 2 . . . . 152 GLU HB3 . 17714 1 689 . 1 1 68 68 GLU HG2 H 1 2.199 0.02 . 2 . . . . 152 GLU HG2 . 17714 1 690 . 1 1 68 68 GLU HG3 H 1 2.419 0.02 . 2 . . . . 152 GLU HG3 . 17714 1 691 . 1 1 68 68 GLU CA C 13 58.098 0.20 . 1 . . . . 152 GLU CA . 17714 1 692 . 1 1 68 68 GLU CB C 13 29.979 0.20 . 1 . . . . 152 GLU CB . 17714 1 693 . 1 1 68 68 GLU CG C 13 36.545 0.20 . 1 . . . . 152 GLU CG . 17714 1 694 . 1 1 68 68 GLU N N 15 116.389 0.20 . 1 . . . . 152 GLU N . 17714 1 695 . 1 1 69 69 ASN H H 1 7.539 0.02 . 1 . . . . 153 ASN H . 17714 1 696 . 1 1 69 69 ASN HA H 1 4.371 0.02 . 1 . . . . 153 ASN HA . 17714 1 697 . 1 1 69 69 ASN HB2 H 1 2.157 0.02 . 2 . . . . 153 ASN HB2 . 17714 1 698 . 1 1 69 69 ASN HB3 H 1 2.157 0.02 . 2 . . . . 153 ASN HB3 . 17714 1 699 . 1 1 69 69 ASN HD21 H 1 6.793 0.02 . 2 . . . . 153 ASN HD21 . 17714 1 700 . 1 1 69 69 ASN HD22 H 1 6.537 0.02 . 2 . . . . 153 ASN HD22 . 17714 1 701 . 1 1 69 69 ASN CA C 13 54.896 0.20 . 1 . . . . 153 ASN CA . 17714 1 702 . 1 1 69 69 ASN CB C 13 41.206 0.20 . 1 . . . . 153 ASN CB . 17714 1 703 . 1 1 69 69 ASN N N 15 114.747 0.20 . 1 . . . . 153 ASN N . 17714 1 704 . 1 1 69 69 ASN ND2 N 15 117.123 0.20 . 1 . . . . 153 ASN ND2 . 17714 1 705 . 1 1 70 70 MET H H 1 8.021 0.02 . 1 . . . . 154 MET H . 17714 1 706 . 1 1 70 70 MET HA H 1 3.432 0.02 . 1 . . . . 154 MET HA . 17714 1 707 . 1 1 70 70 MET HB2 H 1 1.318 0.02 . 2 . . . . 154 MET HB2 . 17714 1 708 . 1 1 70 70 MET HB3 H 1 1.665 0.02 . 2 . . . . 154 MET HB3 . 17714 1 709 . 1 1 70 70 MET HG2 H 1 2.536 0.02 . 2 . . . . 154 MET HG2 . 17714 1 710 . 1 1 70 70 MET HG3 H 1 2.144 0.02 . 2 . . . . 154 MET HG3 . 17714 1 711 . 1 1 70 70 MET HE1 H 1 2.006 0.02 . 1 . . . . 154 MET HE . 17714 1 712 . 1 1 70 70 MET HE2 H 1 2.006 0.02 . 1 . . . . 154 MET HE . 17714 1 713 . 1 1 70 70 MET HE3 H 1 2.006 0.02 . 1 . . . . 154 MET HE . 17714 1 714 . 1 1 70 70 MET CA C 13 59.245 0.20 . 1 . . . . 154 MET CA . 17714 1 715 . 1 1 70 70 MET CB C 13 30.366 0.20 . 1 . . . . 154 MET CB . 17714 1 716 . 1 1 70 70 MET CG C 13 30.604 0.20 . 1 . . . . 154 MET CG . 17714 1 717 . 1 1 70 70 MET CE C 13 17.697 0.20 . 1 . . . . 154 MET CE . 17714 1 718 . 1 1 70 70 MET N N 15 119.156 0.20 . 1 . . . . 154 MET N . 17714 1 719 . 1 1 71 71 HIS H H 1 7.972 0.02 . 1 . . . . 155 HIS H . 17714 1 720 . 1 1 71 71 HIS HA H 1 4.197 0.02 . 1 . . . . 155 HIS HA . 17714 1 721 . 1 1 71 71 HIS HB2 H 1 3.247 0.02 . 2 . . . . 155 HIS HB2 . 17714 1 722 . 1 1 71 71 HIS HB3 H 1 2.967 0.02 . 2 . . . . 155 HIS HB3 . 17714 1 723 . 1 1 71 71 HIS HD2 H 1 7.386 0.02 . 1 . . . . 155 HIS HD2 . 17714 1 724 . 1 1 71 71 HIS CA C 13 57.795 0.20 . 1 . . . . 155 HIS CA . 17714 1 725 . 1 1 71 71 HIS CB C 13 29.025 0.20 . 1 . . . . 155 HIS CB . 17714 1 726 . 1 1 71 71 HIS CD2 C 13 120.157 0.20 . 1 . . . . 155 HIS CD2 . 17714 1 727 . 1 1 71 71 HIS N N 15 115.717 0.20 . 1 . . . . 155 HIS N . 17714 1 728 . 1 1 72 72 ARG H H 1 7.494 0.02 . 1 . . . . 156 ARG H . 17714 1 729 . 1 1 72 72 ARG HA H 1 4.092 0.02 . 1 . . . . 156 ARG HA . 17714 1 730 . 1 1 72 72 ARG HB2 H 1 1.395 0.02 . 2 . . . . 156 ARG HB2 . 17714 1 731 . 1 1 72 72 ARG HB3 H 1 2.092 0.02 . 2 . . . . 156 ARG HB3 . 17714 1 732 . 1 1 72 72 ARG HG2 H 1 1.369 0.02 . 2 . . . . 156 ARG HG2 . 17714 1 733 . 1 1 72 72 ARG HG3 H 1 0.313 0.02 . 2 . . . . 156 ARG HG3 . 17714 1 734 . 1 1 72 72 ARG HD2 H 1 3.076 0.02 . 2 . . . . 156 ARG HD2 . 17714 1 735 . 1 1 72 72 ARG HD3 H 1 3.246 0.02 . 2 . . . . 156 ARG HD3 . 17714 1 736 . 1 1 72 72 ARG CA C 13 56.255 0.20 . 1 . . . . 156 ARG CA . 17714 1 737 . 1 1 72 72 ARG CB C 13 30.668 0.20 . 1 . . . . 156 ARG CB . 17714 1 738 . 1 1 72 72 ARG CG C 13 27.304 0.20 . 1 . . . . 156 ARG CG . 17714 1 739 . 1 1 72 72 ARG CD C 13 44.128 0.20 . 1 . . . . 156 ARG CD . 17714 1 740 . 1 1 72 72 ARG N N 15 118.743 0.20 . 1 . . . . 156 ARG N . 17714 1 741 . 1 1 73 73 TYR H H 1 7.417 0.02 . 1 . . . . 157 TYR H . 17714 1 742 . 1 1 73 73 TYR HA H 1 5.021 0.02 . 1 . . . . 157 TYR HA . 17714 1 743 . 1 1 73 73 TYR HB2 H 1 3.117 0.02 . 2 . . . . 157 TYR HB2 . 17714 1 744 . 1 1 73 73 TYR HB3 H 1 3.116 0.02 . 2 . . . . 157 TYR HB3 . 17714 1 745 . 1 1 73 73 TYR HD1 H 1 6.887 0.02 . 3 . . . . 157 TYR HD1 . 17714 1 746 . 1 1 73 73 TYR HD2 H 1 6.887 0.02 . 3 . . . . 157 TYR HD2 . 17714 1 747 . 1 1 73 73 TYR HE1 H 1 6.554 0.02 . 3 . . . . 157 TYR HE1 . 17714 1 748 . 1 1 73 73 TYR HE2 H 1 6.554 0.02 . 3 . . . . 157 TYR HE2 . 17714 1 749 . 1 1 73 73 TYR CA C 13 52.636 0.20 . 1 . . . . 157 TYR CA . 17714 1 750 . 1 1 73 73 TYR CB C 13 35.138 0.20 . 1 . . . . 157 TYR CB . 17714 1 751 . 1 1 73 73 TYR CD1 C 13 131.268 0.20 . 3 . . . . 157 TYR CD1 . 17714 1 752 . 1 1 73 73 TYR CD2 C 13 131.272 0.20 . 3 . . . . 157 TYR CD2 . 17714 1 753 . 1 1 73 73 TYR CE1 C 13 117.029 0.20 . 3 . . . . 157 TYR CE1 . 17714 1 754 . 1 1 73 73 TYR CE2 C 13 117.029 0.20 . 3 . . . . 157 TYR CE2 . 17714 1 755 . 1 1 73 73 TYR N N 15 121.155 0.20 . 1 . . . . 157 TYR N . 17714 1 756 . 1 1 74 74 PRO HA H 1 4.488 0.02 . 1 . . . . 158 PRO HA . 17714 1 757 . 1 1 74 74 PRO HB2 H 1 1.720 0.02 . 2 . . . . 158 PRO HB2 . 17714 1 758 . 1 1 74 74 PRO HB3 H 1 2.069 0.02 . 2 . . . . 158 PRO HB3 . 17714 1 759 . 1 1 74 74 PRO HG2 H 1 1.604 0.02 . 2 . . . . 158 PRO HG2 . 17714 1 760 . 1 1 74 74 PRO HG3 H 1 1.197 0.02 . 2 . . . . 158 PRO HG3 . 17714 1 761 . 1 1 74 74 PRO HD2 H 1 3.179 0.02 . 2 . . . . 158 PRO HD2 . 17714 1 762 . 1 1 74 74 PRO HD3 H 1 3.153 0.02 . 2 . . . . 158 PRO HD3 . 17714 1 763 . 1 1 74 74 PRO CA C 13 63.628 0.20 . 1 . . . . 158 PRO CA . 17714 1 764 . 1 1 74 74 PRO CB C 13 32.549 0.20 . 1 . . . . 158 PRO CB . 17714 1 765 . 1 1 74 74 PRO CG C 13 27.461 0.20 . 1 . . . . 158 PRO CG . 17714 1 766 . 1 1 74 74 PRO CD C 13 49.883 0.20 . 1 . . . . 158 PRO CD . 17714 1 767 . 1 1 75 75 ASN H H 1 8.470 0.02 . 1 . . . . 159 ASN H . 17714 1 768 . 1 1 75 75 ASN HA H 1 4.718 0.02 . 1 . . . . 159 ASN HA . 17714 1 769 . 1 1 75 75 ASN HB2 H 1 2.405 0.02 . 2 . . . . 159 ASN HB2 . 17714 1 770 . 1 1 75 75 ASN HB3 H 1 2.405 0.02 . 2 . . . . 159 ASN HB3 . 17714 1 771 . 1 1 75 75 ASN HD21 H 1 6.749 0.02 . 2 . . . . 159 ASN HD21 . 17714 1 772 . 1 1 75 75 ASN HD22 H 1 7.445 0.02 . 2 . . . . 159 ASN HD22 . 17714 1 773 . 1 1 75 75 ASN CA C 13 51.862 0.20 . 1 . . . . 159 ASN CA . 17714 1 774 . 1 1 75 75 ASN CB C 13 38.212 0.20 . 1 . . . . 159 ASN CB . 17714 1 775 . 1 1 75 75 ASN N N 15 115.787 0.20 . 1 . . . . 159 ASN N . 17714 1 776 . 1 1 75 75 ASN ND2 N 15 109.022 0.20 . 1 . . . . 159 ASN ND2 . 17714 1 777 . 1 1 76 76 GLN H H 1 7.200 0.02 . 1 . . . . 160 GLN H . 17714 1 778 . 1 1 76 76 GLN HA H 1 4.531 0.02 . 1 . . . . 160 GLN HA . 17714 1 779 . 1 1 76 76 GLN HB2 H 1 1.694 0.02 . 2 . . . . 160 GLN HB2 . 17714 1 780 . 1 1 76 76 GLN HB3 H 1 1.979 0.02 . 2 . . . . 160 GLN HB3 . 17714 1 781 . 1 1 76 76 GLN HG2 H 1 2.034 0.02 . 2 . . . . 160 GLN HG2 . 17714 1 782 . 1 1 76 76 GLN HG3 H 1 2.150 0.02 . 2 . . . . 160 GLN HG3 . 17714 1 783 . 1 1 76 76 GLN HE21 H 1 7.906 0.02 . 2 . . . . 160 GLN HE21 . 17714 1 784 . 1 1 76 76 GLN HE22 H 1 6.936 0.02 . 2 . . . . 160 GLN HE22 . 17714 1 785 . 1 1 76 76 GLN CA C 13 54.311 0.20 . 1 . . . . 160 GLN CA . 17714 1 786 . 1 1 76 76 GLN CB C 13 33.891 0.20 . 1 . . . . 160 GLN CB . 17714 1 787 . 1 1 76 76 GLN CG C 13 34.260 0.20 . 1 . . . . 160 GLN CG . 17714 1 788 . 1 1 76 76 GLN N N 15 113.794 0.20 . 1 . . . . 160 GLN N . 17714 1 789 . 1 1 76 76 GLN NE2 N 15 112.558 0.20 . 1 . . . . 160 GLN NE2 . 17714 1 790 . 1 1 77 77 VAL H H 1 8.455 0.02 . 1 . . . . 161 VAL H . 17714 1 791 . 1 1 77 77 VAL HA H 1 4.887 0.02 . 1 . . . . 161 VAL HA . 17714 1 792 . 1 1 77 77 VAL HB H 1 2.608 0.02 . 1 . . . . 161 VAL HB . 17714 1 793 . 1 1 77 77 VAL HG11 H 1 0.953 0.02 . 2 . . . . 161 VAL HG1 . 17714 1 794 . 1 1 77 77 VAL HG12 H 1 0.953 0.02 . 2 . . . . 161 VAL HG1 . 17714 1 795 . 1 1 77 77 VAL HG13 H 1 0.953 0.02 . 2 . . . . 161 VAL HG1 . 17714 1 796 . 1 1 77 77 VAL HG21 H 1 0.746 0.02 . 2 . . . . 161 VAL HG2 . 17714 1 797 . 1 1 77 77 VAL HG22 H 1 0.746 0.02 . 2 . . . . 161 VAL HG2 . 17714 1 798 . 1 1 77 77 VAL HG23 H 1 0.746 0.02 . 2 . . . . 161 VAL HG2 . 17714 1 799 . 1 1 77 77 VAL CA C 13 58.796 0.20 . 1 . . . . 161 VAL CA . 17714 1 800 . 1 1 77 77 VAL CB C 13 34.042 0.20 . 1 . . . . 161 VAL CB . 17714 1 801 . 1 1 77 77 VAL CG1 C 13 23.770 0.20 . 2 . . . . 161 VAL CG1 . 17714 1 802 . 1 1 77 77 VAL CG2 C 13 18.428 0.20 . 2 . . . . 161 VAL CG2 . 17714 1 803 . 1 1 77 77 VAL N N 15 112.453 0.20 . 1 . . . . 161 VAL N . 17714 1 804 . 1 1 78 78 TYR H H 1 8.478 0.02 . 1 . . . . 162 TYR H . 17714 1 805 . 1 1 78 78 TYR HA H 1 5.537 0.02 . 1 . . . . 162 TYR HA . 17714 1 806 . 1 1 78 78 TYR HB2 H 1 2.497 0.02 . 2 . . . . 162 TYR HB2 . 17714 1 807 . 1 1 78 78 TYR HB3 H 1 2.642 0.02 . 2 . . . . 162 TYR HB3 . 17714 1 808 . 1 1 78 78 TYR HD1 H 1 6.925 0.02 . 3 . . . . 162 TYR HD1 . 17714 1 809 . 1 1 78 78 TYR HD2 H 1 6.926 0.02 . 3 . . . . 162 TYR HD2 . 17714 1 810 . 1 1 78 78 TYR HE1 H 1 6.757 0.02 . 3 . . . . 162 TYR HE1 . 17714 1 811 . 1 1 78 78 TYR HE2 H 1 6.757 0.02 . 3 . . . . 162 TYR HE2 . 17714 1 812 . 1 1 78 78 TYR CA C 13 57.056 0.20 . 1 . . . . 162 TYR CA . 17714 1 813 . 1 1 78 78 TYR CB C 13 41.984 0.20 . 1 . . . . 162 TYR CB . 17714 1 814 . 1 1 78 78 TYR CD1 C 13 133.376 0.20 . 3 . . . . 162 TYR CD1 . 17714 1 815 . 1 1 78 78 TYR CD2 C 13 133.383 0.20 . 3 . . . . 162 TYR CD2 . 17714 1 816 . 1 1 78 78 TYR CE1 C 13 117.963 0.20 . 3 . . . . 162 TYR CE1 . 17714 1 817 . 1 1 78 78 TYR CE2 C 13 117.963 0.20 . 3 . . . . 162 TYR CE2 . 17714 1 818 . 1 1 78 78 TYR N N 15 121.224 0.20 . 1 . . . . 162 TYR N . 17714 1 819 . 1 1 79 79 TYR H H 1 8.557 0.02 . 1 . . . . 163 TYR H . 17714 1 820 . 1 1 79 79 TYR HA H 1 4.738 0.02 . 1 . . . . 163 TYR HA . 17714 1 821 . 1 1 79 79 TYR HB2 H 1 2.882 0.02 . 2 . . . . 163 TYR HB2 . 17714 1 822 . 1 1 79 79 TYR HB3 H 1 2.840 0.02 . 2 . . . . 163 TYR HB3 . 17714 1 823 . 1 1 79 79 TYR HD1 H 1 6.949 0.02 . 3 . . . . 163 TYR HD1 . 17714 1 824 . 1 1 79 79 TYR HD2 H 1 6.950 0.02 . 3 . . . . 163 TYR HD2 . 17714 1 825 . 1 1 79 79 TYR HE1 H 1 6.460 0.02 . 3 . . . . 163 TYR HE1 . 17714 1 826 . 1 1 79 79 TYR HE2 H 1 6.460 0.02 . 3 . . . . 163 TYR HE2 . 17714 1 827 . 1 1 79 79 TYR CA C 13 55.915 0.20 . 1 . . . . 163 TYR CA . 17714 1 828 . 1 1 79 79 TYR CB C 13 40.324 0.20 . 1 . . . . 163 TYR CB . 17714 1 829 . 1 1 79 79 TYR CD1 C 13 133.587 0.20 . 3 . . . . 163 TYR CD1 . 17714 1 830 . 1 1 79 79 TYR CD2 C 13 133.593 0.20 . 3 . . . . 163 TYR CD2 . 17714 1 831 . 1 1 79 79 TYR CE1 C 13 117.788 0.20 . 3 . . . . 163 TYR CE1 . 17714 1 832 . 1 1 79 79 TYR CE2 C 13 117.788 0.20 . 3 . . . . 163 TYR CE2 . 17714 1 833 . 1 1 79 79 TYR N N 15 110.937 0.20 . 1 . . . . 163 TYR N . 17714 1 834 . 1 1 82 82 MET H H 1 8.973 0.02 . 1 . . . . 166 MET H . 17714 1 835 . 1 1 82 82 MET HA H 1 4.445 0.02 . 1 . . . . 166 MET HA . 17714 1 836 . 1 1 82 82 MET HB2 H 1 2.287 0.02 . 2 . . . . 166 MET HB2 . 17714 1 837 . 1 1 82 82 MET HB3 H 1 2.211 0.02 . 2 . . . . 166 MET HB3 . 17714 1 838 . 1 1 82 82 MET HG2 H 1 1.817 0.02 . 2 . . . . 166 MET HG2 . 17714 1 839 . 1 1 82 82 MET HG3 H 1 1.740 0.02 . 2 . . . . 166 MET HG3 . 17714 1 840 . 1 1 82 82 MET HE1 H 1 1.594 0.02 . 1 . . . . 166 MET HE . 17714 1 841 . 1 1 82 82 MET HE2 H 1 1.594 0.02 . 1 . . . . 166 MET HE . 17714 1 842 . 1 1 82 82 MET HE3 H 1 1.594 0.02 . 1 . . . . 166 MET HE . 17714 1 843 . 1 1 82 82 MET CA C 13 57.496 0.20 . 1 . . . . 166 MET CA . 17714 1 844 . 1 1 82 82 MET CB C 13 32.380 0.20 . 1 . . . . 166 MET CB . 17714 1 845 . 1 1 82 82 MET CG C 13 32.770 0.20 . 1 . . . . 166 MET CG . 17714 1 846 . 1 1 82 82 MET CE C 13 17.225 0.20 . 1 . . . . 166 MET CE . 17714 1 847 . 1 1 82 82 MET N N 15 120.974 0.20 . 1 . . . . 166 MET N . 17714 1 848 . 1 1 84 84 GLU H H 1 8.422 0.02 . 1 . . . . 168 GLU H . 17714 1 849 . 1 1 84 84 GLU HA H 1 4.336 0.02 . 1 . . . . 168 GLU HA . 17714 1 850 . 1 1 84 84 GLU HB2 H 1 2.004 0.02 . 2 . . . . 168 GLU HB2 . 17714 1 851 . 1 1 84 84 GLU HB3 H 1 1.956 0.02 . 2 . . . . 168 GLU HB3 . 17714 1 852 . 1 1 84 84 GLU HG2 H 1 2.564 0.02 . 2 . . . . 168 GLU HG2 . 17714 1 853 . 1 1 84 84 GLU HG3 H 1 2.564 0.02 . 2 . . . . 168 GLU HG3 . 17714 1 854 . 1 1 84 84 GLU CA C 13 56.085 0.20 . 1 . . . . 168 GLU CA . 17714 1 855 . 1 1 84 84 GLU CB C 13 32.928 0.20 . 1 . . . . 168 GLU CB . 17714 1 856 . 1 1 84 84 GLU CG C 13 32.121 0.20 . 1 . . . . 168 GLU CG . 17714 1 857 . 1 1 84 84 GLU N N 15 126.021 0.20 . 1 . . . . 168 GLU N . 17714 1 858 . 1 1 85 85 TYR H H 1 8.382 0.02 . 1 . . . . 169 TYR H . 17714 1 859 . 1 1 85 85 TYR HA H 1 4.254 0.02 . 1 . . . . 169 TYR HA . 17714 1 860 . 1 1 85 85 TYR CA C 13 56.839 0.20 . 1 . . . . 169 TYR CA . 17714 1 861 . 1 1 85 85 TYR N N 15 121.023 0.20 . 1 . . . . 169 TYR N . 17714 1 862 . 1 1 86 86 SER H H 1 8.174 0.02 . 1 . . . . 170 SER H . 17714 1 863 . 1 1 86 86 SER HA H 1 4.360 0.02 . 1 . . . . 170 SER HA . 17714 1 864 . 1 1 86 86 SER HB2 H 1 4.770 0.02 . 2 . . . . 170 SER HB2 . 17714 1 865 . 1 1 86 86 SER HB3 H 1 4.720 0.02 . 2 . . . . 170 SER HB3 . 17714 1 866 . 1 1 86 86 SER CA C 13 58.400 0.20 . 1 . . . . 170 SER CA . 17714 1 867 . 1 1 86 86 SER CB C 13 63.900 0.20 . 1 . . . . 170 SER CB . 17714 1 868 . 1 1 86 86 SER N N 15 115.552 0.20 . 1 . . . . 170 SER N . 17714 1 869 . 1 1 88 88 GLN H H 1 8.654 0.02 . 1 . . . . 172 GLN H . 17714 1 870 . 1 1 88 88 GLN HB2 H 1 1.609 0.02 . 2 . . . . 172 GLN HB2 . 17714 1 871 . 1 1 88 88 GLN HB3 H 1 1.609 0.02 . 2 . . . . 172 GLN HB3 . 17714 1 872 . 1 1 88 88 GLN HG2 H 1 1.830 0.02 . 2 . . . . 172 GLN HG2 . 17714 1 873 . 1 1 88 88 GLN HG3 H 1 1.762 0.02 . 2 . . . . 172 GLN HG3 . 17714 1 874 . 1 1 88 88 GLN HE21 H 1 7.215 0.02 . 2 . . . . 172 GLN HE21 . 17714 1 875 . 1 1 88 88 GLN HE22 H 1 7.099 0.02 . 2 . . . . 172 GLN HE22 . 17714 1 876 . 1 1 88 88 GLN CB C 13 29.100 0.20 . 1 . . . . 172 GLN CB . 17714 1 877 . 1 1 88 88 GLN CG C 13 32.382 0.20 . 1 . . . . 172 GLN CG . 17714 1 878 . 1 1 88 88 GLN N N 15 120.356 0.20 . 1 . . . . 172 GLN N . 17714 1 879 . 1 1 88 88 GLN NE2 N 15 111.787 0.20 . 1 . . . . 172 GLN NE2 . 17714 1 880 . 1 1 89 89 ASN H H 1 8.340 0.02 . 1 . . . . 173 ASN H . 17714 1 881 . 1 1 89 89 ASN HA H 1 4.234 0.02 . 1 . . . . 173 ASN HA . 17714 1 882 . 1 1 89 89 ASN HB2 H 1 2.742 0.02 . 2 . . . . 173 ASN HB2 . 17714 1 883 . 1 1 89 89 ASN HB3 H 1 2.670 0.02 . 2 . . . . 173 ASN HB3 . 17714 1 884 . 1 1 89 89 ASN HD21 H 1 7.571 0.02 . 2 . . . . 173 ASN HD21 . 17714 1 885 . 1 1 89 89 ASN HD22 H 1 6.932 0.02 . 2 . . . . 173 ASN HD22 . 17714 1 886 . 1 1 89 89 ASN CA C 13 56.513 0.20 . 1 . . . . 173 ASN CA . 17714 1 887 . 1 1 89 89 ASN CB C 13 38.036 0.20 . 1 . . . . 173 ASN CB . 17714 1 888 . 1 1 89 89 ASN N N 15 116.773 0.20 . 1 . . . . 173 ASN N . 17714 1 889 . 1 1 89 89 ASN ND2 N 15 112.743 0.20 . 1 . . . . 173 ASN ND2 . 17714 1 890 . 1 1 90 90 ASN H H 1 8.610 0.02 . 1 . . . . 174 ASN H . 17714 1 891 . 1 1 90 90 ASN HA H 1 4.549 0.02 . 1 . . . . 174 ASN HA . 17714 1 892 . 1 1 90 90 ASN HB2 H 1 3.039 0.02 . 2 . . . . 174 ASN HB2 . 17714 1 893 . 1 1 90 90 ASN HB3 H 1 2.932 0.02 . 2 . . . . 174 ASN HB3 . 17714 1 894 . 1 1 90 90 ASN HD21 H 1 7.093 0.02 . 2 . . . . 174 ASN HD21 . 17714 1 895 . 1 1 90 90 ASN HD22 H 1 7.674 0.02 . 2 . . . . 174 ASN HD22 . 17714 1 896 . 1 1 90 90 ASN CA C 13 55.945 0.20 . 1 . . . . 174 ASN CA . 17714 1 897 . 1 1 90 90 ASN CB C 13 37.972 0.20 . 1 . . . . 174 ASN CB . 17714 1 898 . 1 1 90 90 ASN N N 15 118.447 0.20 . 1 . . . . 174 ASN N . 17714 1 899 . 1 1 90 90 ASN ND2 N 15 112.231 0.20 . 1 . . . . 174 ASN ND2 . 17714 1 900 . 1 1 91 91 PHE HD1 H 1 7.670 0.02 . 3 . . . . 175 PHE HD1 . 17714 1 901 . 1 1 91 91 PHE HD2 H 1 7.670 0.02 . 3 . . . . 175 PHE HD2 . 17714 1 902 . 1 1 91 91 PHE HE1 H 1 6.727 0.02 . 3 . . . . 175 PHE HE1 . 17714 1 903 . 1 1 91 91 PHE HE2 H 1 6.727 0.02 . 3 . . . . 175 PHE HE2 . 17714 1 904 . 1 1 91 91 PHE HZ H 1 7.298 0.02 . 1 . . . . 175 PHE HZ . 17714 1 905 . 1 1 91 91 PHE CD1 C 13 131.715 0.20 . 3 . . . . 175 PHE CD1 . 17714 1 906 . 1 1 91 91 PHE CD2 C 13 131.713 0.20 . 3 . . . . 175 PHE CD2 . 17714 1 907 . 1 1 91 91 PHE CE1 C 13 129.085 0.20 . 3 . . . . 175 PHE CE1 . 17714 1 908 . 1 1 91 91 PHE CE2 C 13 129.076 0.20 . 3 . . . . 175 PHE CE2 . 17714 1 909 . 1 1 91 91 PHE CZ C 13 133.149 0.20 . 1 . . . . 175 PHE CZ . 17714 1 910 . 1 1 92 92 VAL H H 1 8.924 0.02 . 1 . . . . 176 VAL H . 17714 1 911 . 1 1 92 92 VAL HA H 1 3.529 0.02 . 1 . . . . 176 VAL HA . 17714 1 912 . 1 1 92 92 VAL HB H 1 2.212 0.02 . 1 . . . . 176 VAL HB . 17714 1 913 . 1 1 92 92 VAL HG11 H 1 1.077 0.02 . 2 . . . . 176 VAL HG1 . 17714 1 914 . 1 1 92 92 VAL HG12 H 1 1.077 0.02 . 2 . . . . 176 VAL HG1 . 17714 1 915 . 1 1 92 92 VAL HG13 H 1 1.077 0.02 . 2 . . . . 176 VAL HG1 . 17714 1 916 . 1 1 92 92 VAL HG21 H 1 0.957 0.02 . 2 . . . . 176 VAL HG2 . 17714 1 917 . 1 1 92 92 VAL HG22 H 1 0.957 0.02 . 2 . . . . 176 VAL HG2 . 17714 1 918 . 1 1 92 92 VAL HG23 H 1 0.957 0.02 . 2 . . . . 176 VAL HG2 . 17714 1 919 . 1 1 92 92 VAL CA C 13 67.799 0.20 . 1 . . . . 176 VAL CA . 17714 1 920 . 1 1 92 92 VAL CB C 13 32.184 0.20 . 1 . . . . 176 VAL CB . 17714 1 921 . 1 1 92 92 VAL CG1 C 13 24.751 0.20 . 2 . . . . 176 VAL CG1 . 17714 1 922 . 1 1 92 92 VAL CG2 C 13 21.722 0.20 . 2 . . . . 176 VAL CG2 . 17714 1 923 . 1 1 92 92 VAL N N 15 120.257 0.20 . 1 . . . . 176 VAL N . 17714 1 924 . 1 1 93 93 HIS H H 1 8.309 0.02 . 1 . . . . 177 HIS H . 17714 1 925 . 1 1 93 93 HIS HA H 1 4.317 0.02 . 1 . . . . 177 HIS HA . 17714 1 926 . 1 1 93 93 HIS HB2 H 1 3.381 0.02 . 2 . . . . 177 HIS HB2 . 17714 1 927 . 1 1 93 93 HIS HB3 H 1 3.332 0.02 . 2 . . . . 177 HIS HB3 . 17714 1 928 . 1 1 93 93 HIS HD2 H 1 7.309 0.02 . 1 . . . . 177 HIS HD2 . 17714 1 929 . 1 1 93 93 HIS HE1 H 1 8.612 0.02 . 1 . . . . 177 HIS HE1 . 17714 1 930 . 1 1 93 93 HIS CA C 13 59.531 0.20 . 1 . . . . 177 HIS CA . 17714 1 931 . 1 1 93 93 HIS CB C 13 28.349 0.20 . 1 . . . . 177 HIS CB . 17714 1 932 . 1 1 93 93 HIS CD2 C 13 119.973 0.20 . 1 . . . . 177 HIS CD2 . 17714 1 933 . 1 1 93 93 HIS CE1 C 13 136.305 0.20 . 1 . . . . 177 HIS CE1 . 17714 1 934 . 1 1 93 93 HIS N N 15 116.859 0.20 . 1 . . . . 177 HIS N . 17714 1 935 . 1 1 94 94 ASP H H 1 7.769 0.02 . 1 . . . . 178 ASP H . 17714 1 936 . 1 1 94 94 ASP HA H 1 4.523 0.02 . 1 . . . . 178 ASP HA . 17714 1 937 . 1 1 94 94 ASP HB2 H 1 2.960 0.02 . 2 . . . . 178 ASP HB2 . 17714 1 938 . 1 1 94 94 ASP HB3 H 1 2.821 0.02 . 2 . . . . 178 ASP HB3 . 17714 1 939 . 1 1 94 94 ASP CA C 13 57.670 0.20 . 1 . . . . 178 ASP CA . 17714 1 940 . 1 1 94 94 ASP CB C 13 41.373 0.20 . 1 . . . . 178 ASP CB . 17714 1 941 . 1 1 94 94 ASP N N 15 118.696 0.20 . 1 . . . . 178 ASP N . 17714 1 942 . 1 1 95 95 CYS H H 1 8.064 0.02 . 1 . . . . 179 CYS H . 17714 1 943 . 1 1 95 95 CYS HA H 1 4.661 0.02 . 1 . . . . 179 CYS HA . 17714 1 944 . 1 1 95 95 CYS HB2 H 1 3.000 0.02 . 2 . . . . 179 CYS HB2 . 17714 1 945 . 1 1 95 95 CYS HB3 H 1 3.371 0.02 . 2 . . . . 179 CYS HB3 . 17714 1 946 . 1 1 95 95 CYS CA C 13 58.579 0.20 . 1 . . . . 179 CYS CA . 17714 1 947 . 1 1 95 95 CYS CB C 13 40.663 0.20 . 1 . . . . 179 CYS CB . 17714 1 948 . 1 1 95 95 CYS N N 15 119.374 0.20 . 1 . . . . 179 CYS N . 17714 1 949 . 1 1 96 96 VAL H H 1 9.108 0.02 . 1 . . . . 180 VAL H . 17714 1 950 . 1 1 96 96 VAL HA H 1 3.676 0.02 . 1 . . . . 180 VAL HA . 17714 1 951 . 1 1 96 96 VAL HB H 1 2.211 0.02 . 1 . . . . 180 VAL HB . 17714 1 952 . 1 1 96 96 VAL HG11 H 1 0.883 0.02 . 2 . . . . 180 VAL HG1 . 17714 1 953 . 1 1 96 96 VAL HG12 H 1 0.883 0.02 . 2 . . . . 180 VAL HG1 . 17714 1 954 . 1 1 96 96 VAL HG13 H 1 0.883 0.02 . 2 . . . . 180 VAL HG1 . 17714 1 955 . 1 1 96 96 VAL HG21 H 1 1.085 0.02 . 2 . . . . 180 VAL HG2 . 17714 1 956 . 1 1 96 96 VAL HG22 H 1 1.085 0.02 . 2 . . . . 180 VAL HG2 . 17714 1 957 . 1 1 96 96 VAL HG23 H 1 1.085 0.02 . 2 . . . . 180 VAL HG2 . 17714 1 958 . 1 1 96 96 VAL CA C 13 66.375 0.20 . 1 . . . . 180 VAL CA . 17714 1 959 . 1 1 96 96 VAL CB C 13 32.137 0.20 . 1 . . . . 180 VAL CB . 17714 1 960 . 1 1 96 96 VAL CG1 C 13 21.224 0.20 . 2 . . . . 180 VAL CG1 . 17714 1 961 . 1 1 96 96 VAL CG2 C 13 23.408 0.20 . 2 . . . . 180 VAL CG2 . 17714 1 962 . 1 1 96 96 VAL N N 15 124.885 0.20 . 1 . . . . 180 VAL N . 17714 1 963 . 1 1 97 97 ASN H H 1 7.653 0.02 . 1 . . . . 181 ASN H . 17714 1 964 . 1 1 97 97 ASN HA H 1 4.313 0.02 . 1 . . . . 181 ASN HA . 17714 1 965 . 1 1 97 97 ASN HB2 H 1 2.760 0.02 . 2 . . . . 181 ASN HB2 . 17714 1 966 . 1 1 97 97 ASN HB3 H 1 2.835 0.02 . 2 . . . . 181 ASN HB3 . 17714 1 967 . 1 1 97 97 ASN HD21 H 1 6.744 0.02 . 2 . . . . 181 ASN HD21 . 17714 1 968 . 1 1 97 97 ASN HD22 H 1 7.608 0.02 . 2 . . . . 181 ASN HD22 . 17714 1 969 . 1 1 97 97 ASN CA C 13 56.517 0.20 . 1 . . . . 181 ASN CA . 17714 1 970 . 1 1 97 97 ASN CB C 13 38.805 0.20 . 1 . . . . 181 ASN CB . 17714 1 971 . 1 1 97 97 ASN N N 15 116.341 0.20 . 1 . . . . 181 ASN N . 17714 1 972 . 1 1 97 97 ASN ND2 N 15 112.006 0.20 . 1 . . . . 181 ASN ND2 . 17714 1 973 . 1 1 98 98 ILE H H 1 8.725 0.02 . 1 . . . . 182 ILE H . 17714 1 974 . 1 1 98 98 ILE HA H 1 3.770 0.02 . 1 . . . . 182 ILE HA . 17714 1 975 . 1 1 98 98 ILE HB H 1 1.547 0.02 . 1 . . . . 182 ILE HB . 17714 1 976 . 1 1 98 98 ILE HG12 H 1 0.764 0.02 . 2 . . . . 182 ILE HG12 . 17714 1 977 . 1 1 98 98 ILE HG13 H 1 0.883 0.02 . 2 . . . . 182 ILE HG13 . 17714 1 978 . 1 1 98 98 ILE HG21 H 1 0.298 0.02 . 1 . . . . 182 ILE HG2 . 17714 1 979 . 1 1 98 98 ILE HG22 H 1 0.298 0.02 . 1 . . . . 182 ILE HG2 . 17714 1 980 . 1 1 98 98 ILE HG23 H 1 0.298 0.02 . 1 . . . . 182 ILE HG2 . 17714 1 981 . 1 1 98 98 ILE HD11 H 1 0.408 0.02 . 1 . . . . 182 ILE HD1 . 17714 1 982 . 1 1 98 98 ILE HD12 H 1 0.408 0.02 . 1 . . . . 182 ILE HD1 . 17714 1 983 . 1 1 98 98 ILE HD13 H 1 0.408 0.02 . 1 . . . . 182 ILE HD1 . 17714 1 984 . 1 1 98 98 ILE CA C 13 62.294 0.20 . 1 . . . . 182 ILE CA . 17714 1 985 . 1 1 98 98 ILE CB C 13 36.868 0.20 . 1 . . . . 182 ILE CB . 17714 1 986 . 1 1 98 98 ILE CG1 C 13 27.801 0.20 . 1 . . . . 182 ILE CG1 . 17714 1 987 . 1 1 98 98 ILE CG2 C 13 18.699 0.20 . 1 . . . . 182 ILE CG2 . 17714 1 988 . 1 1 98 98 ILE CD1 C 13 11.930 0.20 . 1 . . . . 182 ILE CD1 . 17714 1 989 . 1 1 98 98 ILE N N 15 118.794 0.20 . 1 . . . . 182 ILE N . 17714 1 990 . 1 1 99 99 THR H H 1 8.136 0.02 . 1 . . . . 183 THR H . 17714 1 991 . 1 1 99 99 THR HA H 1 4.060 0.02 . 1 . . . . 183 THR HA . 17714 1 992 . 1 1 99 99 THR HB H 1 4.495 0.02 . 1 . . . . 183 THR HB . 17714 1 993 . 1 1 99 99 THR HG21 H 1 1.516 0.02 . 1 . . . . 183 THR HG2 . 17714 1 994 . 1 1 99 99 THR HG22 H 1 1.516 0.02 . 1 . . . . 183 THR HG2 . 17714 1 995 . 1 1 99 99 THR HG23 H 1 1.516 0.02 . 1 . . . . 183 THR HG2 . 17714 1 996 . 1 1 99 99 THR CA C 13 68.958 0.20 . 1 . . . . 183 THR CA . 17714 1 997 . 1 1 99 99 THR CB C 13 68.113 0.20 . 1 . . . . 183 THR CB . 17714 1 998 . 1 1 99 99 THR CG2 C 13 22.238 0.20 . 1 . . . . 183 THR CG2 . 17714 1 999 . 1 1 99 99 THR N N 15 118.418 0.20 . 1 . . . . 183 THR N . 17714 1 1000 . 1 1 100 100 ILE H H 1 8.648 0.02 . 1 . . . . 184 ILE H . 17714 1 1001 . 1 1 100 100 ILE HA H 1 3.675 0.02 . 1 . . . . 184 ILE HA . 17714 1 1002 . 1 1 100 100 ILE HB H 1 1.942 0.02 . 1 . . . . 184 ILE HB . 17714 1 1003 . 1 1 100 100 ILE HG12 H 1 1.528 0.02 . 2 . . . . 184 ILE HG12 . 17714 1 1004 . 1 1 100 100 ILE HG13 H 1 1.820 0.02 . 2 . . . . 184 ILE HG13 . 17714 1 1005 . 1 1 100 100 ILE HG21 H 1 0.921 0.02 . 1 . . . . 184 ILE HG2 . 17714 1 1006 . 1 1 100 100 ILE HG22 H 1 0.921 0.02 . 1 . . . . 184 ILE HG2 . 17714 1 1007 . 1 1 100 100 ILE HG23 H 1 0.921 0.02 . 1 . . . . 184 ILE HG2 . 17714 1 1008 . 1 1 100 100 ILE HD11 H 1 0.802 0.02 . 1 . . . . 184 ILE HD1 . 17714 1 1009 . 1 1 100 100 ILE HD12 H 1 0.802 0.02 . 1 . . . . 184 ILE HD1 . 17714 1 1010 . 1 1 100 100 ILE HD13 H 1 0.802 0.02 . 1 . . . . 184 ILE HD1 . 17714 1 1011 . 1 1 100 100 ILE CA C 13 66.416 0.20 . 1 . . . . 184 ILE CA . 17714 1 1012 . 1 1 100 100 ILE CB C 13 37.714 0.20 . 1 . . . . 184 ILE CB . 17714 1 1013 . 1 1 100 100 ILE CG1 C 13 30.753 0.20 . 1 . . . . 184 ILE CG1 . 17714 1 1014 . 1 1 100 100 ILE CG2 C 13 16.972 0.20 . 1 . . . . 184 ILE CG2 . 17714 1 1015 . 1 1 100 100 ILE CD1 C 13 14.236 0.20 . 1 . . . . 184 ILE CD1 . 17714 1 1016 . 1 1 100 100 ILE N N 15 121.653 0.20 . 1 . . . . 184 ILE N . 17714 1 1017 . 1 1 101 101 LYS H H 1 7.844 0.02 . 1 . . . . 185 LYS H . 17714 1 1018 . 1 1 101 101 LYS HA H 1 4.038 0.02 . 1 . . . . 185 LYS HA . 17714 1 1019 . 1 1 101 101 LYS HB2 H 1 1.895 0.02 . 2 . . . . 185 LYS HB2 . 17714 1 1020 . 1 1 101 101 LYS HB3 H 1 1.895 0.02 . 2 . . . . 185 LYS HB3 . 17714 1 1021 . 1 1 101 101 LYS HG2 H 1 1.450 0.02 . 2 . . . . 185 LYS HG2 . 17714 1 1022 . 1 1 101 101 LYS HG3 H 1 1.357 0.02 . 2 . . . . 185 LYS HG3 . 17714 1 1023 . 1 1 101 101 LYS HD2 H 1 1.603 0.02 . 2 . . . . 185 LYS HD2 . 17714 1 1024 . 1 1 101 101 LYS HD3 H 1 1.657 0.02 . 2 . . . . 185 LYS HD3 . 17714 1 1025 . 1 1 101 101 LYS HE2 H 1 2.967 0.02 . 2 . . . . 185 LYS HE2 . 17714 1 1026 . 1 1 101 101 LYS HE3 H 1 2.905 0.02 . 2 . . . . 185 LYS HE3 . 17714 1 1027 . 1 1 101 101 LYS CA C 13 59.940 0.20 . 1 . . . . 185 LYS CA . 17714 1 1028 . 1 1 101 101 LYS CB C 13 32.239 0.20 . 1 . . . . 185 LYS CB . 17714 1 1029 . 1 1 101 101 LYS CG C 13 24.723 0.20 . 1 . . . . 185 LYS CG . 17714 1 1030 . 1 1 101 101 LYS CD C 13 29.020 0.20 . 1 . . . . 185 LYS CD . 17714 1 1031 . 1 1 101 101 LYS CE C 13 41.900 0.20 . 1 . . . . 185 LYS CE . 17714 1 1032 . 1 1 101 101 LYS N N 15 122.998 0.20 . 1 . . . . 185 LYS N . 17714 1 1033 . 1 1 103 103 HIS H H 1 8.291 0.02 . 1 . . . . 187 HIS H . 17714 1 1034 . 1 1 103 103 HIS HA H 1 4.606 0.02 . 1 . . . . 187 HIS HA . 17714 1 1035 . 1 1 103 103 HIS HB2 H 1 3.269 0.02 . 2 . . . . 187 HIS HB2 . 17714 1 1036 . 1 1 103 103 HIS HB3 H 1 3.227 0.02 . 2 . . . . 187 HIS HB3 . 17714 1 1037 . 1 1 103 103 HIS HD2 H 1 7.219 0.02 . 1 . . . . 187 HIS HD2 . 17714 1 1038 . 1 1 103 103 HIS CA C 13 58.999 0.20 . 1 . . . . 187 HIS CA . 17714 1 1039 . 1 1 103 103 HIS CB C 13 30.941 0.20 . 1 . . . . 187 HIS CB . 17714 1 1040 . 1 1 103 103 HIS CD2 C 13 120.058 0.20 . 1 . . . . 187 HIS CD2 . 17714 1 1041 . 1 1 103 103 HIS N N 15 118.510 0.20 . 1 . . . . 187 HIS N . 17714 1 1042 . 1 1 104 104 THR H H 1 8.216 0.02 . 1 . . . . 188 THR H . 17714 1 1043 . 1 1 104 104 THR HA H 1 3.991 0.02 . 1 . . . . 188 THR HA . 17714 1 1044 . 1 1 104 104 THR HB H 1 4.159 0.02 . 1 . . . . 188 THR HB . 17714 1 1045 . 1 1 104 104 THR HG21 H 1 1.253 0.02 . 1 . . . . 188 THR HG2 . 17714 1 1046 . 1 1 104 104 THR HG22 H 1 1.253 0.02 . 1 . . . . 188 THR HG2 . 17714 1 1047 . 1 1 104 104 THR HG23 H 1 1.253 0.02 . 1 . . . . 188 THR HG2 . 17714 1 1048 . 1 1 104 104 THR CA C 13 65.422 0.20 . 1 . . . . 188 THR CA . 17714 1 1049 . 1 1 104 104 THR CB C 13 69.112 0.20 . 1 . . . . 188 THR CB . 17714 1 1050 . 1 1 104 104 THR CG2 C 13 21.135 0.20 . 1 . . . . 188 THR CG2 . 17714 1 1051 . 1 1 104 104 THR N N 15 113.634 0.20 . 1 . . . . 188 THR N . 17714 1 1052 . 1 1 105 105 VAL H H 1 7.994 0.02 . 1 . . . . 189 VAL H . 17714 1 1053 . 1 1 105 105 VAL HA H 1 3.993 0.02 . 1 . . . . 189 VAL HA . 17714 1 1054 . 1 1 105 105 VAL HB H 1 2.212 0.02 . 1 . . . . 189 VAL HB . 17714 1 1055 . 1 1 105 105 VAL HG11 H 1 1.029 0.02 . 2 . . . . 189 VAL HG1 . 17714 1 1056 . 1 1 105 105 VAL HG12 H 1 1.029 0.02 . 2 . . . . 189 VAL HG1 . 17714 1 1057 . 1 1 105 105 VAL HG13 H 1 1.029 0.02 . 2 . . . . 189 VAL HG1 . 17714 1 1058 . 1 1 105 105 VAL HG21 H 1 0.957 0.02 . 2 . . . . 189 VAL HG2 . 17714 1 1059 . 1 1 105 105 VAL HG22 H 1 0.957 0.02 . 2 . . . . 189 VAL HG2 . 17714 1 1060 . 1 1 105 105 VAL HG23 H 1 0.957 0.02 . 2 . . . . 189 VAL HG2 . 17714 1 1061 . 1 1 105 105 VAL CA C 13 65.187 0.20 . 1 . . . . 189 VAL CA . 17714 1 1062 . 1 1 105 105 VAL CB C 13 32.220 0.20 . 1 . . . . 189 VAL CB . 17714 1 1063 . 1 1 105 105 VAL CG1 C 13 21.688 0.20 . 2 . . . . 189 VAL CG1 . 17714 1 1064 . 1 1 105 105 VAL CG2 C 13 21.038 0.20 . 2 . . . . 189 VAL CG2 . 17714 1 1065 . 1 1 105 105 VAL N N 15 122.245 0.20 . 1 . . . . 189 VAL N . 17714 1 1066 . 1 1 106 106 THR H H 1 8.094 0.02 . 1 . . . . 190 THR H . 17714 1 1067 . 1 1 106 106 THR HA H 1 4.213 0.02 . 1 . . . . 190 THR HA . 17714 1 1068 . 1 1 106 106 THR HB H 1 4.269 0.02 . 1 . . . . 190 THR HB . 17714 1 1069 . 1 1 106 106 THR HG21 H 1 1.276 0.02 . 1 . . . . 190 THR HG2 . 17714 1 1070 . 1 1 106 106 THR HG22 H 1 1.276 0.02 . 1 . . . . 190 THR HG2 . 17714 1 1071 . 1 1 106 106 THR HG23 H 1 1.276 0.02 . 1 . . . . 190 THR HG2 . 17714 1 1072 . 1 1 106 106 THR CA C 13 64.338 0.20 . 1 . . . . 190 THR CA . 17714 1 1073 . 1 1 106 106 THR CB C 13 69.331 0.20 . 1 . . . . 190 THR CB . 17714 1 1074 . 1 1 106 106 THR CG2 C 13 21.727 0.20 . 1 . . . . 190 THR CG2 . 17714 1 1075 . 1 1 106 106 THR N N 15 115.242 0.20 . 1 . . . . 190 THR N . 17714 1 1076 . 1 1 107 107 THR H H 1 7.998 0.02 . 1 . . . . 191 THR H . 17714 1 1077 . 1 1 107 107 THR HA H 1 4.189 0.02 . 1 . . . . 191 THR HA . 17714 1 1078 . 1 1 107 107 THR HB H 1 4.267 0.02 . 1 . . . . 191 THR HB . 17714 1 1079 . 1 1 107 107 THR HG21 H 1 0.925 0.02 . 1 . . . . 191 THR HG2 . 17714 1 1080 . 1 1 107 107 THR HG22 H 1 0.925 0.02 . 1 . . . . 191 THR HG2 . 17714 1 1081 . 1 1 107 107 THR HG23 H 1 0.925 0.02 . 1 . . . . 191 THR HG2 . 17714 1 1082 . 1 1 107 107 THR CA C 13 64.196 0.20 . 1 . . . . 191 THR CA . 17714 1 1083 . 1 1 107 107 THR CB C 13 69.248 0.20 . 1 . . . . 191 THR CB . 17714 1 1084 . 1 1 107 107 THR CG2 C 13 19.283 0.20 . 1 . . . . 191 THR CG2 . 17714 1 1085 . 1 1 107 107 THR N N 15 114.733 0.20 . 1 . . . . 191 THR N . 17714 1 1086 . 1 1 108 108 THR H H 1 8.166 0.02 . 1 . . . . 192 THR H . 17714 1 1087 . 1 1 108 108 THR HA H 1 4.381 0.02 . 1 . . . . 192 THR HA . 17714 1 1088 . 1 1 108 108 THR HB H 1 4.356 0.02 . 1 . . . . 192 THR HB . 17714 1 1089 . 1 1 108 108 THR HG21 H 1 1.294 0.02 . 1 . . . . 192 THR HG2 . 17714 1 1090 . 1 1 108 108 THR HG22 H 1 1.294 0.02 . 1 . . . . 192 THR HG2 . 17714 1 1091 . 1 1 108 108 THR HG23 H 1 1.294 0.02 . 1 . . . . 192 THR HG2 . 17714 1 1092 . 1 1 108 108 THR CA C 13 64.356 0.20 . 1 . . . . 192 THR CA . 17714 1 1093 . 1 1 108 108 THR CB C 13 69.230 0.20 . 1 . . . . 192 THR CB . 17714 1 1094 . 1 1 108 108 THR CG2 C 13 21.602 0.20 . 1 . . . . 192 THR CG2 . 17714 1 1095 . 1 1 108 108 THR N N 15 117.067 0.20 . 1 . . . . 192 THR N . 17714 1 1096 . 1 1 109 109 THR H H 1 7.882 0.02 . 1 . . . . 193 THR H . 17714 1 1097 . 1 1 109 109 THR HA H 1 4.229 0.02 . 1 . . . . 193 THR HA . 17714 1 1098 . 1 1 109 109 THR HB H 1 4.295 0.02 . 1 . . . . 193 THR HB . 17714 1 1099 . 1 1 109 109 THR HG21 H 1 1.231 0.02 . 1 . . . . 193 THR HG2 . 17714 1 1100 . 1 1 109 109 THR HG22 H 1 1.231 0.02 . 1 . . . . 193 THR HG2 . 17714 1 1101 . 1 1 109 109 THR HG23 H 1 1.231 0.02 . 1 . . . . 193 THR HG2 . 17714 1 1102 . 1 1 109 109 THR CA C 13 63.993 0.20 . 1 . . . . 193 THR CA . 17714 1 1103 . 1 1 109 109 THR CB C 13 69.233 0.20 . 1 . . . . 193 THR CB . 17714 1 1104 . 1 1 109 109 THR CG2 C 13 22.102 0.20 . 1 . . . . 193 THR CG2 . 17714 1 1105 . 1 1 109 109 THR N N 15 116.098 0.20 . 1 . . . . 193 THR N . 17714 1 1106 . 1 1 110 110 LYS H H 1 7.708 0.02 . 1 . . . . 194 LYS H . 17714 1 1107 . 1 1 110 110 LYS HA H 1 4.341 0.02 . 1 . . . . 194 LYS HA . 17714 1 1108 . 1 1 110 110 LYS HB2 H 1 1.817 0.02 . 2 . . . . 194 LYS HB2 . 17714 1 1109 . 1 1 110 110 LYS HB3 H 1 1.978 0.02 . 2 . . . . 194 LYS HB3 . 17714 1 1110 . 1 1 110 110 LYS HG2 H 1 1.454 0.02 . 2 . . . . 194 LYS HG2 . 17714 1 1111 . 1 1 110 110 LYS HG3 H 1 1.502 0.02 . 2 . . . . 194 LYS HG3 . 17714 1 1112 . 1 1 110 110 LYS HD2 H 1 1.659 0.02 . 2 . . . . 194 LYS HD2 . 17714 1 1113 . 1 1 110 110 LYS HD3 H 1 1.659 0.02 . 2 . . . . 194 LYS HD3 . 17714 1 1114 . 1 1 110 110 LYS HE2 H 1 2.967 0.02 . 2 . . . . 194 LYS HE2 . 17714 1 1115 . 1 1 110 110 LYS HE3 H 1 2.905 0.02 . 2 . . . . 194 LYS HE3 . 17714 1 1116 . 1 1 110 110 LYS CA C 13 56.386 0.20 . 1 . . . . 194 LYS CA . 17714 1 1117 . 1 1 110 110 LYS CB C 13 32.701 0.20 . 1 . . . . 194 LYS CB . 17714 1 1118 . 1 1 110 110 LYS CG C 13 25.000 0.20 . 1 . . . . 194 LYS CG . 17714 1 1119 . 1 1 110 110 LYS CD C 13 29.100 0.20 . 1 . . . . 194 LYS CD . 17714 1 1120 . 1 1 110 110 LYS CE C 13 41.910 0.20 . 1 . . . . 194 LYS CE . 17714 1 1121 . 1 1 110 110 LYS N N 15 120.617 0.20 . 1 . . . . 194 LYS N . 17714 1 1122 . 1 1 111 111 GLY H H 1 8.026 0.02 . 1 . . . . 195 GLY H . 17714 1 1123 . 1 1 111 111 GLY HA2 H 1 4.074 0.02 . 2 . . . . 195 GLY HA2 . 17714 1 1124 . 1 1 111 111 GLY HA3 H 1 3.842 0.02 . 2 . . . . 195 GLY HA3 . 17714 1 1125 . 1 1 111 111 GLY CA C 13 45.454 0.20 . 1 . . . . 195 GLY CA . 17714 1 1126 . 1 1 111 111 GLY N N 15 108.539 0.20 . 1 . . . . 195 GLY N . 17714 1 1127 . 1 1 112 112 GLU H H 1 7.599 0.02 . 1 . . . . 196 GLU H . 17714 1 1128 . 1 1 112 112 GLU HA H 1 4.238 0.02 . 1 . . . . 196 GLU HA . 17714 1 1129 . 1 1 112 112 GLU HB2 H 1 1.607 0.02 . 2 . . . . 196 GLU HB2 . 17714 1 1130 . 1 1 112 112 GLU HB3 H 1 1.607 0.02 . 2 . . . . 196 GLU HB3 . 17714 1 1131 . 1 1 112 112 GLU HG2 H 1 2.011 0.02 . 2 . . . . 196 GLU HG2 . 17714 1 1132 . 1 1 112 112 GLU HG3 H 1 2.087 0.02 . 2 . . . . 196 GLU HG3 . 17714 1 1133 . 1 1 112 112 GLU CA C 13 55.820 0.20 . 1 . . . . 196 GLU CA . 17714 1 1134 . 1 1 112 112 GLU CB C 13 31.008 0.20 . 1 . . . . 196 GLU CB . 17714 1 1135 . 1 1 112 112 GLU CG C 13 35.919 0.20 . 1 . . . . 196 GLU CG . 17714 1 1136 . 1 1 112 112 GLU N N 15 120.050 0.20 . 1 . . . . 196 GLU N . 17714 1 1137 . 1 1 113 113 ASN H H 1 8.425 0.02 . 1 . . . . 197 ASN H . 17714 1 1138 . 1 1 113 113 ASN HA H 1 4.655 0.02 . 1 . . . . 197 ASN HA . 17714 1 1139 . 1 1 113 113 ASN HB2 H 1 2.602 0.02 . 2 . . . . 197 ASN HB2 . 17714 1 1140 . 1 1 113 113 ASN HB3 H 1 2.668 0.02 . 2 . . . . 197 ASN HB3 . 17714 1 1141 . 1 1 113 113 ASN HD21 H 1 7.514 0.02 . 2 . . . . 197 ASN HD21 . 17714 1 1142 . 1 1 113 113 ASN HD22 H 1 6.791 0.02 . 2 . . . . 197 ASN HD22 . 17714 1 1143 . 1 1 113 113 ASN CA C 13 52.794 0.20 . 1 . . . . 197 ASN CA . 17714 1 1144 . 1 1 113 113 ASN CB C 13 40.381 0.20 . 1 . . . . 197 ASN CB . 17714 1 1145 . 1 1 113 113 ASN N N 15 119.440 0.20 . 1 . . . . 197 ASN N . 17714 1 1146 . 1 1 113 113 ASN ND2 N 15 113.093 0.20 . 1 . . . . 197 ASN ND2 . 17714 1 1147 . 1 1 114 114 PHE H H 1 8.628 0.02 . 1 . . . . 198 PHE H . 17714 1 1148 . 1 1 114 114 PHE HA H 1 5.284 0.02 . 1 . . . . 198 PHE HA . 17714 1 1149 . 1 1 114 114 PHE HB2 H 1 2.953 0.02 . 2 . . . . 198 PHE HB2 . 17714 1 1150 . 1 1 114 114 PHE HB3 H 1 3.158 0.02 . 2 . . . . 198 PHE HB3 . 17714 1 1151 . 1 1 114 114 PHE HD1 H 1 7.342 0.02 . 3 . . . . 198 PHE HD1 . 17714 1 1152 . 1 1 114 114 PHE HD2 H 1 7.342 0.02 . 3 . . . . 198 PHE HD2 . 17714 1 1153 . 1 1 114 114 PHE HE1 H 1 7.459 0.02 . 3 . . . . 198 PHE HE1 . 17714 1 1154 . 1 1 114 114 PHE HE2 H 1 7.459 0.02 . 3 . . . . 198 PHE HE2 . 17714 1 1155 . 1 1 114 114 PHE HZ H 1 7.329 0.02 . 1 . . . . 198 PHE HZ . 17714 1 1156 . 1 1 114 114 PHE CA C 13 56.758 0.20 . 1 . . . . 198 PHE CA . 17714 1 1157 . 1 1 114 114 PHE CB C 13 40.128 0.20 . 1 . . . . 198 PHE CB . 17714 1 1158 . 1 1 114 114 PHE CD1 C 13 131.514 0.20 . 3 . . . . 198 PHE CD1 . 17714 1 1159 . 1 1 114 114 PHE CD2 C 13 131.514 0.20 . 3 . . . . 198 PHE CD2 . 17714 1 1160 . 1 1 114 114 PHE CE1 C 13 130.054 0.20 . 3 . . . . 198 PHE CE1 . 17714 1 1161 . 1 1 114 114 PHE CE2 C 13 130.054 0.20 . 3 . . . . 198 PHE CE2 . 17714 1 1162 . 1 1 114 114 PHE CZ C 13 132.027 0.20 . 1 . . . . 198 PHE CZ . 17714 1 1163 . 1 1 114 114 PHE N N 15 121.719 0.20 . 1 . . . . 198 PHE N . 17714 1 1164 . 1 1 115 115 THR H H 1 9.520 0.02 . 1 . . . . 199 THR H . 17714 1 1165 . 1 1 115 115 THR HA H 1 4.629 0.02 . 1 . . . . 199 THR HA . 17714 1 1166 . 1 1 115 115 THR HB H 1 4.829 0.02 . 1 . . . . 199 THR HB . 17714 1 1167 . 1 1 115 115 THR HG21 H 1 1.425 0.02 . 1 . . . . 199 THR HG2 . 17714 1 1168 . 1 1 115 115 THR HG22 H 1 1.425 0.02 . 1 . . . . 199 THR HG2 . 17714 1 1169 . 1 1 115 115 THR HG23 H 1 1.425 0.02 . 1 . . . . 199 THR HG2 . 17714 1 1170 . 1 1 115 115 THR CA C 13 60.470 0.20 . 1 . . . . 199 THR CA . 17714 1 1171 . 1 1 115 115 THR CB C 13 72.156 0.20 . 1 . . . . 199 THR CB . 17714 1 1172 . 1 1 115 115 THR CG2 C 13 21.737 0.20 . 1 . . . . 199 THR CG2 . 17714 1 1173 . 1 1 115 115 THR N N 15 115.920 0.20 . 1 . . . . 199 THR N . 17714 1 1174 . 1 1 116 116 GLU H H 1 9.112 0.02 . 1 . . . . 200 GLU H . 17714 1 1175 . 1 1 116 116 GLU HA H 1 4.066 0.02 . 1 . . . . 200 GLU HA . 17714 1 1176 . 1 1 116 116 GLU HB2 H 1 2.136 0.02 . 2 . . . . 200 GLU HB2 . 17714 1 1177 . 1 1 116 116 GLU HB3 H 1 2.058 0.02 . 2 . . . . 200 GLU HB3 . 17714 1 1178 . 1 1 116 116 GLU HG2 H 1 2.331 0.02 . 2 . . . . 200 GLU HG2 . 17714 1 1179 . 1 1 116 116 GLU HG3 H 1 2.404 0.02 . 2 . . . . 200 GLU HG3 . 17714 1 1180 . 1 1 116 116 GLU CA C 13 59.942 0.20 . 1 . . . . 200 GLU CA . 17714 1 1181 . 1 1 116 116 GLU CB C 13 28.896 0.20 . 1 . . . . 200 GLU CB . 17714 1 1182 . 1 1 116 116 GLU CG C 13 36.217 0.20 . 1 . . . . 200 GLU CG . 17714 1 1183 . 1 1 116 116 GLU N N 15 119.964 0.20 . 1 . . . . 200 GLU N . 17714 1 1184 . 1 1 117 117 THR H H 1 7.913 0.02 . 1 . . . . 201 THR H . 17714 1 1185 . 1 1 117 117 THR HA H 1 3.795 0.02 . 1 . . . . 201 THR HA . 17714 1 1186 . 1 1 117 117 THR HB H 1 3.705 0.02 . 1 . . . . 201 THR HB . 17714 1 1187 . 1 1 117 117 THR HG21 H 1 0.690 0.02 . 1 . . . . 201 THR HG2 . 17714 1 1188 . 1 1 117 117 THR HG22 H 1 0.690 0.02 . 1 . . . . 201 THR HG2 . 17714 1 1189 . 1 1 117 117 THR HG23 H 1 0.690 0.02 . 1 . . . . 201 THR HG2 . 17714 1 1190 . 1 1 117 117 THR CA C 13 66.806 0.20 . 1 . . . . 201 THR CA . 17714 1 1191 . 1 1 117 117 THR CB C 13 68.710 0.20 . 1 . . . . 201 THR CB . 17714 1 1192 . 1 1 117 117 THR CG2 C 13 21.070 0.20 . 1 . . . . 201 THR CG2 . 17714 1 1193 . 1 1 117 117 THR N N 15 116.156 0.20 . 1 . . . . 201 THR N . 17714 1 1194 . 1 1 118 118 ASP H H 1 7.475 0.02 . 1 . . . . 202 ASP H . 17714 1 1195 . 1 1 118 118 ASP HA H 1 4.585 0.02 . 1 . . . . 202 ASP HA . 17714 1 1196 . 1 1 118 118 ASP HB2 H 1 3.346 0.02 . 2 . . . . 202 ASP HB2 . 17714 1 1197 . 1 1 118 118 ASP HB3 H 1 2.634 0.02 . 2 . . . . 202 ASP HB3 . 17714 1 1198 . 1 1 118 118 ASP CA C 13 58.007 0.20 . 1 . . . . 202 ASP CA . 17714 1 1199 . 1 1 118 118 ASP CB C 13 41.647 0.20 . 1 . . . . 202 ASP CB . 17714 1 1200 . 1 1 118 118 ASP N N 15 120.044 0.20 . 1 . . . . 202 ASP N . 17714 1 1201 . 1 1 119 119 VAL H H 1 8.187 0.02 . 1 . . . . 203 VAL H . 17714 1 1202 . 1 1 119 119 VAL HA H 1 3.309 0.02 . 1 . . . . 203 VAL HA . 17714 1 1203 . 1 1 119 119 VAL HB H 1 2.101 0.02 . 1 . . . . 203 VAL HB . 17714 1 1204 . 1 1 119 119 VAL HG11 H 1 0.979 0.02 . 2 . . . . 203 VAL HG1 . 17714 1 1205 . 1 1 119 119 VAL HG12 H 1 0.979 0.02 . 2 . . . . 203 VAL HG1 . 17714 1 1206 . 1 1 119 119 VAL HG13 H 1 0.979 0.02 . 2 . . . . 203 VAL HG1 . 17714 1 1207 . 1 1 119 119 VAL HG21 H 1 0.956 0.02 . 2 . . . . 203 VAL HG2 . 17714 1 1208 . 1 1 119 119 VAL HG22 H 1 0.956 0.02 . 2 . . . . 203 VAL HG2 . 17714 1 1209 . 1 1 119 119 VAL HG23 H 1 0.956 0.02 . 2 . . . . 203 VAL HG2 . 17714 1 1210 . 1 1 119 119 VAL CA C 13 67.786 0.20 . 1 . . . . 203 VAL CA . 17714 1 1211 . 1 1 119 119 VAL CB C 13 31.636 0.20 . 1 . . . . 203 VAL CB . 17714 1 1212 . 1 1 119 119 VAL CG1 C 13 22.846 0.20 . 2 . . . . 203 VAL CG1 . 17714 1 1213 . 1 1 119 119 VAL CG2 C 13 21.202 0.20 . 2 . . . . 203 VAL CG2 . 17714 1 1214 . 1 1 119 119 VAL N N 15 119.560 0.20 . 1 . . . . 203 VAL N . 17714 1 1215 . 1 1 120 120 LYS H H 1 7.712 0.02 . 1 . . . . 204 LYS H . 17714 1 1216 . 1 1 120 120 LYS HA H 1 4.079 0.02 . 1 . . . . 204 LYS HA . 17714 1 1217 . 1 1 120 120 LYS HB2 H 1 1.966 0.02 . 2 . . . . 204 LYS HB2 . 17714 1 1218 . 1 1 120 120 LYS HB3 H 1 1.900 0.02 . 2 . . . . 204 LYS HB3 . 17714 1 1219 . 1 1 120 120 LYS HG2 H 1 1.450 0.02 . 2 . . . . 204 LYS HG2 . 17714 1 1220 . 1 1 120 120 LYS HG3 H 1 1.502 0.02 . 2 . . . . 204 LYS HG3 . 17714 1 1221 . 1 1 120 120 LYS HD2 H 1 1.665 0.02 . 2 . . . . 204 LYS HD2 . 17714 1 1222 . 1 1 120 120 LYS HD3 H 1 1.665 0.02 . 2 . . . . 204 LYS HD3 . 17714 1 1223 . 1 1 120 120 LYS HE2 H 1 2.965 0.02 . 2 . . . . 204 LYS HE2 . 17714 1 1224 . 1 1 120 120 LYS HE3 H 1 2.905 0.02 . 2 . . . . 204 LYS HE3 . 17714 1 1225 . 1 1 120 120 LYS CA C 13 59.283 0.20 . 1 . . . . 204 LYS CA . 17714 1 1226 . 1 1 120 120 LYS CB C 13 32.133 0.20 . 1 . . . . 204 LYS CB . 17714 1 1227 . 1 1 120 120 LYS CG C 13 25.021 0.20 . 1 . . . . 204 LYS CG . 17714 1 1228 . 1 1 120 120 LYS CD C 13 29.053 0.20 . 1 . . . . 204 LYS CD . 17714 1 1229 . 1 1 120 120 LYS CE C 13 41.949 0.20 . 1 . . . . 204 LYS CE . 17714 1 1230 . 1 1 120 120 LYS N N 15 119.069 0.20 . 1 . . . . 204 LYS N . 17714 1 1231 . 1 1 121 121 MET H H 1 8.156 0.02 . 1 . . . . 205 MET H . 17714 1 1232 . 1 1 121 121 MET HA H 1 4.165 0.02 . 1 . . . . 205 MET HA . 17714 1 1233 . 1 1 121 121 MET HB2 H 1 1.965 0.02 . 2 . . . . 205 MET HB2 . 17714 1 1234 . 1 1 121 121 MET HB3 H 1 2.153 0.02 . 2 . . . . 205 MET HB3 . 17714 1 1235 . 1 1 121 121 MET HG2 H 1 2.360 0.02 . 2 . . . . 205 MET HG2 . 17714 1 1236 . 1 1 121 121 MET HG3 H 1 2.929 0.02 . 2 . . . . 205 MET HG3 . 17714 1 1237 . 1 1 121 121 MET HE1 H 1 1.491 0.02 . 1 . . . . 205 MET HE . 17714 1 1238 . 1 1 121 121 MET HE2 H 1 1.491 0.02 . 1 . . . . 205 MET HE . 17714 1 1239 . 1 1 121 121 MET HE3 H 1 1.491 0.02 . 1 . . . . 205 MET HE . 17714 1 1240 . 1 1 121 121 MET CA C 13 60.021 0.20 . 1 . . . . 205 MET CA . 17714 1 1241 . 1 1 121 121 MET CB C 13 32.775 0.20 . 1 . . . . 205 MET CB . 17714 1 1242 . 1 1 121 121 MET CG C 13 34.124 0.20 . 1 . . . . 205 MET CG . 17714 1 1243 . 1 1 121 121 MET CE C 13 18.249 0.20 . 1 . . . . 205 MET CE . 17714 1 1244 . 1 1 121 121 MET N N 15 118.536 0.20 . 1 . . . . 205 MET N . 17714 1 1245 . 1 1 122 122 MET H H 1 8.715 0.02 . 1 . . . . 206 MET H . 17714 1 1246 . 1 1 122 122 MET HA H 1 3.558 0.02 . 1 . . . . 206 MET HA . 17714 1 1247 . 1 1 122 122 MET HB2 H 1 2.148 0.02 . 2 . . . . 206 MET HB2 . 17714 1 1248 . 1 1 122 122 MET HB3 H 1 1.509 0.02 . 2 . . . . 206 MET HB3 . 17714 1 1249 . 1 1 122 122 MET HG2 H 1 1.626 0.02 . 2 . . . . 206 MET HG2 . 17714 1 1250 . 1 1 122 122 MET HG3 H 1 1.953 0.02 . 2 . . . . 206 MET HG3 . 17714 1 1251 . 1 1 122 122 MET HE1 H 1 1.307 0.02 . 1 . . . . 206 MET HE . 17714 1 1252 . 1 1 122 122 MET HE2 H 1 1.307 0.02 . 1 . . . . 206 MET HE . 17714 1 1253 . 1 1 122 122 MET HE3 H 1 1.307 0.02 . 1 . . . . 206 MET HE . 17714 1 1254 . 1 1 122 122 MET CA C 13 59.987 0.20 . 1 . . . . 206 MET CA . 17714 1 1255 . 1 1 122 122 MET CB C 13 33.418 0.20 . 1 . . . . 206 MET CB . 17714 1 1256 . 1 1 122 122 MET CG C 13 33.136 0.20 . 1 . . . . 206 MET CG . 17714 1 1257 . 1 1 122 122 MET CE C 13 15.993 0.20 . 1 . . . . 206 MET CE . 17714 1 1258 . 1 1 122 122 MET N N 15 118.192 0.20 . 1 . . . . 206 MET N . 17714 1 1259 . 1 1 123 123 GLU H H 1 8.445 0.02 . 1 . . . . 207 GLU H . 17714 1 1260 . 1 1 123 123 GLU HA H 1 3.662 0.02 . 1 . . . . 207 GLU HA . 17714 1 1261 . 1 1 123 123 GLU HB2 H 1 2.059 0.02 . 2 . . . . 207 GLU HB2 . 17714 1 1262 . 1 1 123 123 GLU HB3 H 1 2.132 0.02 . 2 . . . . 207 GLU HB3 . 17714 1 1263 . 1 1 123 123 GLU HG2 H 1 2.525 0.02 . 2 . . . . 207 GLU HG2 . 17714 1 1264 . 1 1 123 123 GLU HG3 H 1 2.525 0.02 . 2 . . . . 207 GLU HG3 . 17714 1 1265 . 1 1 123 123 GLU CA C 13 60.789 0.20 . 1 . . . . 207 GLU CA . 17714 1 1266 . 1 1 123 123 GLU CB C 13 29.026 0.20 . 1 . . . . 207 GLU CB . 17714 1 1267 . 1 1 123 123 GLU CG C 13 35.996 0.20 . 1 . . . . 207 GLU CG . 17714 1 1268 . 1 1 123 123 GLU N N 15 118.792 0.20 . 1 . . . . 207 GLU N . 17714 1 1269 . 1 1 124 124 ARG H H 1 7.240 0.02 . 1 . . . . 208 ARG H . 17714 1 1270 . 1 1 124 124 ARG HA H 1 4.216 0.02 . 1 . . . . 208 ARG HA . 17714 1 1271 . 1 1 124 124 ARG HB2 H 1 1.953 0.02 . 2 . . . . 208 ARG HB2 . 17714 1 1272 . 1 1 124 124 ARG HB3 H 1 2.076 0.02 . 2 . . . . 208 ARG HB3 . 17714 1 1273 . 1 1 124 124 ARG HG2 H 1 1.841 0.02 . 2 . . . . 208 ARG HG2 . 17714 1 1274 . 1 1 124 124 ARG HG3 H 1 1.761 0.02 . 2 . . . . 208 ARG HG3 . 17714 1 1275 . 1 1 124 124 ARG HD2 H 1 3.158 0.02 . 2 . . . . 208 ARG HD2 . 17714 1 1276 . 1 1 124 124 ARG HD3 H 1 3.254 0.02 . 2 . . . . 208 ARG HD3 . 17714 1 1277 . 1 1 124 124 ARG CA C 13 58.463 0.20 . 1 . . . . 208 ARG CA . 17714 1 1278 . 1 1 124 124 ARG CB C 13 30.010 0.20 . 1 . . . . 208 ARG CB . 17714 1 1279 . 1 1 124 124 ARG CG C 13 26.943 0.20 . 1 . . . . 208 ARG CG . 17714 1 1280 . 1 1 124 124 ARG CD C 13 42.636 0.20 . 1 . . . . 208 ARG CD . 17714 1 1281 . 1 1 124 124 ARG N N 15 116.617 0.20 . 1 . . . . 208 ARG N . 17714 1 1282 . 1 1 125 125 VAL H H 1 8.249 0.02 . 1 . . . . 209 VAL H . 17714 1 1283 . 1 1 125 125 VAL HA H 1 3.775 0.02 . 1 . . . . 209 VAL HA . 17714 1 1284 . 1 1 125 125 VAL HB H 1 1.891 0.02 . 1 . . . . 209 VAL HB . 17714 1 1285 . 1 1 125 125 VAL HG11 H 1 1.313 0.02 . 2 . . . . 209 VAL HG1 . 17714 1 1286 . 1 1 125 125 VAL HG12 H 1 1.313 0.02 . 2 . . . . 209 VAL HG1 . 17714 1 1287 . 1 1 125 125 VAL HG13 H 1 1.313 0.02 . 2 . . . . 209 VAL HG1 . 17714 1 1288 . 1 1 125 125 VAL HG21 H 1 0.957 0.02 . 2 . . . . 209 VAL HG2 . 17714 1 1289 . 1 1 125 125 VAL HG22 H 1 0.957 0.02 . 2 . . . . 209 VAL HG2 . 17714 1 1290 . 1 1 125 125 VAL HG23 H 1 0.957 0.02 . 2 . . . . 209 VAL HG2 . 17714 1 1291 . 1 1 125 125 VAL CA C 13 66.071 0.20 . 1 . . . . 209 VAL CA . 17714 1 1292 . 1 1 125 125 VAL CB C 13 32.287 0.20 . 1 . . . . 209 VAL CB . 17714 1 1293 . 1 1 125 125 VAL CG1 C 13 24.119 0.20 . 2 . . . . 209 VAL CG1 . 17714 1 1294 . 1 1 125 125 VAL CG2 C 13 21.152 0.20 . 2 . . . . 209 VAL CG2 . 17714 1 1295 . 1 1 125 125 VAL N N 15 119.315 0.20 . 1 . . . . 209 VAL N . 17714 1 1296 . 1 1 126 126 ILE H H 1 9.037 0.02 . 1 . . . . 210 ILE H . 17714 1 1297 . 1 1 126 126 ILE HA H 1 3.689 0.02 . 1 . . . . 210 ILE HA . 17714 1 1298 . 1 1 126 126 ILE HB H 1 2.015 0.02 . 1 . . . . 210 ILE HB . 17714 1 1299 . 1 1 126 126 ILE HG12 H 1 1.747 0.02 . 2 . . . . 210 ILE HG12 . 17714 1 1300 . 1 1 126 126 ILE HG13 H 1 0.961 0.02 . 2 . . . . 210 ILE HG13 . 17714 1 1301 . 1 1 126 126 ILE HG21 H 1 1.189 0.02 . 1 . . . . 210 ILE HG2 . 17714 1 1302 . 1 1 126 126 ILE HG22 H 1 1.189 0.02 . 1 . . . . 210 ILE HG2 . 17714 1 1303 . 1 1 126 126 ILE HG23 H 1 1.189 0.02 . 1 . . . . 210 ILE HG2 . 17714 1 1304 . 1 1 126 126 ILE HD11 H 1 0.723 0.02 . 1 . . . . 210 ILE HD1 . 17714 1 1305 . 1 1 126 126 ILE HD12 H 1 0.723 0.02 . 1 . . . . 210 ILE HD1 . 17714 1 1306 . 1 1 126 126 ILE HD13 H 1 0.723 0.02 . 1 . . . . 210 ILE HD1 . 17714 1 1307 . 1 1 126 126 ILE CA C 13 64.847 0.20 . 1 . . . . 210 ILE CA . 17714 1 1308 . 1 1 126 126 ILE CB C 13 37.104 0.20 . 1 . . . . 210 ILE CB . 17714 1 1309 . 1 1 126 126 ILE CG1 C 13 30.122 0.20 . 1 . . . . 210 ILE CG1 . 17714 1 1310 . 1 1 126 126 ILE CG2 C 13 20.624 0.20 . 1 . . . . 210 ILE CG2 . 17714 1 1311 . 1 1 126 126 ILE CD1 C 13 14.471 0.20 . 1 . . . . 210 ILE CD1 . 17714 1 1312 . 1 1 126 126 ILE N N 15 121.172 0.20 . 1 . . . . 210 ILE N . 17714 1 1313 . 1 1 127 127 GLU H H 1 7.975 0.02 . 1 . . . . 211 GLU H . 17714 1 1314 . 1 1 127 127 GLU HA H 1 3.590 0.02 . 1 . . . . 211 GLU HA . 17714 1 1315 . 1 1 127 127 GLU HB2 H 1 2.063 0.02 . 2 . . . . 211 GLU HB2 . 17714 1 1316 . 1 1 127 127 GLU HB3 H 1 2.168 0.02 . 2 . . . . 211 GLU HB3 . 17714 1 1317 . 1 1 127 127 GLU HG2 H 1 2.143 0.02 . 2 . . . . 211 GLU HG2 . 17714 1 1318 . 1 1 127 127 GLU HG3 H 1 2.088 0.02 . 2 . . . . 211 GLU HG3 . 17714 1 1319 . 1 1 127 127 GLU CA C 13 61.193 0.20 . 1 . . . . 211 GLU CA . 17714 1 1320 . 1 1 127 127 GLU CB C 13 29.283 0.20 . 1 . . . . 211 GLU CB . 17714 1 1321 . 1 1 127 127 GLU CG C 13 36.053 0.20 . 1 . . . . 211 GLU CG . 17714 1 1322 . 1 1 127 127 GLU N N 15 120.604 0.20 . 1 . . . . 211 GLU N . 17714 1 1323 . 1 1 128 128 GLN H H 1 7.147 0.02 . 1 . . . . 212 GLN H . 17714 1 1324 . 1 1 128 128 GLN HA H 1 3.690 0.02 . 1 . . . . 212 GLN HA . 17714 1 1325 . 1 1 128 128 GLN HB2 H 1 2.113 0.02 . 2 . . . . 212 GLN HB2 . 17714 1 1326 . 1 1 128 128 GLN HB3 H 1 2.113 0.02 . 2 . . . . 212 GLN HB3 . 17714 1 1327 . 1 1 128 128 GLN HG2 H 1 2.392 0.02 . 2 . . . . 212 GLN HG2 . 17714 1 1328 . 1 1 128 128 GLN HG3 H 1 2.452 0.02 . 2 . . . . 212 GLN HG3 . 17714 1 1329 . 1 1 128 128 GLN HE21 H 1 6.870 0.02 . 2 . . . . 212 GLN HE21 . 17714 1 1330 . 1 1 128 128 GLN HE22 H 1 7.559 0.02 . 2 . . . . 212 GLN HE22 . 17714 1 1331 . 1 1 128 128 GLN CA C 13 58.882 0.20 . 1 . . . . 212 GLN CA . 17714 1 1332 . 1 1 128 128 GLN CB C 13 28.236 0.20 . 1 . . . . 212 GLN CB . 17714 1 1333 . 1 1 128 128 GLN CG C 13 33.806 0.20 . 1 . . . . 212 GLN CG . 17714 1 1334 . 1 1 128 128 GLN N N 15 114.684 0.20 . 1 . . . . 212 GLN N . 17714 1 1335 . 1 1 128 128 GLN NE2 N 15 113.391 0.20 . 1 . . . . 212 GLN NE2 . 17714 1 1336 . 1 1 129 129 MET H H 1 8.199 0.02 . 1 . . . . 213 MET H . 17714 1 1337 . 1 1 129 129 MET HA H 1 4.166 0.02 . 1 . . . . 213 MET HA . 17714 1 1338 . 1 1 129 129 MET HB2 H 1 1.969 0.02 . 2 . . . . 213 MET HB2 . 17714 1 1339 . 1 1 129 129 MET HB3 H 1 2.072 0.02 . 2 . . . . 213 MET HB3 . 17714 1 1340 . 1 1 129 129 MET HG2 H 1 2.212 0.02 . 2 . . . . 213 MET HG2 . 17714 1 1341 . 1 1 129 129 MET HG3 H 1 2.284 0.02 . 2 . . . . 213 MET HG3 . 17714 1 1342 . 1 1 129 129 MET HE1 H 1 1.885 0.02 . 1 . . . . 213 MET HE . 17714 1 1343 . 1 1 129 129 MET HE2 H 1 1.885 0.02 . 1 . . . . 213 MET HE . 17714 1 1344 . 1 1 129 129 MET HE3 H 1 1.885 0.02 . 1 . . . . 213 MET HE . 17714 1 1345 . 1 1 129 129 MET CA C 13 59.969 0.20 . 1 . . . . 213 MET CA . 17714 1 1346 . 1 1 129 129 MET CB C 13 32.501 0.20 . 1 . . . . 213 MET CB . 17714 1 1347 . 1 1 129 129 MET CG C 13 32.212 0.20 . 1 . . . . 213 MET CG . 17714 1 1348 . 1 1 129 129 MET CE C 13 16.578 0.20 . 1 . . . . 213 MET CE . 17714 1 1349 . 1 1 129 129 MET N N 15 119.536 0.20 . 1 . . . . 213 MET N . 17714 1 1350 . 1 1 130 130 CYS H H 1 9.255 0.02 . 1 . . . . 214 CYS H . 17714 1 1351 . 1 1 130 130 CYS HA H 1 4.416 0.02 . 1 . . . . 214 CYS HA . 17714 1 1352 . 1 1 130 130 CYS HB2 H 1 3.542 0.02 . 2 . . . . 214 CYS HB2 . 17714 1 1353 . 1 1 130 130 CYS HB3 H 1 2.905 0.02 . 2 . . . . 214 CYS HB3 . 17714 1 1354 . 1 1 130 130 CYS CA C 13 59.938 0.20 . 1 . . . . 214 CYS CA . 17714 1 1355 . 1 1 130 130 CYS CB C 13 41.908 0.20 . 1 . . . . 214 CYS CB . 17714 1 1356 . 1 1 130 130 CYS N N 15 119.433 0.20 . 1 . . . . 214 CYS N . 17714 1 1357 . 1 1 131 131 ILE H H 1 8.275 0.02 . 1 . . . . 215 ILE H . 17714 1 1358 . 1 1 131 131 ILE HA H 1 3.579 0.02 . 1 . . . . 215 ILE HA . 17714 1 1359 . 1 1 131 131 ILE HB H 1 2.034 0.02 . 1 . . . . 215 ILE HB . 17714 1 1360 . 1 1 131 131 ILE HG12 H 1 1.025 0.02 . 2 . . . . 215 ILE HG12 . 17714 1 1361 . 1 1 131 131 ILE HG13 H 1 1.047 0.02 . 2 . . . . 215 ILE HG13 . 17714 1 1362 . 1 1 131 131 ILE HG21 H 1 0.897 0.02 . 1 . . . . 215 ILE HG2 . 17714 1 1363 . 1 1 131 131 ILE HG22 H 1 0.897 0.02 . 1 . . . . 215 ILE HG2 . 17714 1 1364 . 1 1 131 131 ILE HG23 H 1 0.897 0.02 . 1 . . . . 215 ILE HG2 . 17714 1 1365 . 1 1 131 131 ILE HD11 H 1 0.845 0.02 . 1 . . . . 215 ILE HD1 . 17714 1 1366 . 1 1 131 131 ILE HD12 H 1 0.845 0.02 . 1 . . . . 215 ILE HD1 . 17714 1 1367 . 1 1 131 131 ILE HD13 H 1 0.845 0.02 . 1 . . . . 215 ILE HD1 . 17714 1 1368 . 1 1 131 131 ILE CA C 13 66.796 0.20 . 1 . . . . 215 ILE CA . 17714 1 1369 . 1 1 131 131 ILE CB C 13 38.144 0.20 . 1 . . . . 215 ILE CB . 17714 1 1370 . 1 1 131 131 ILE CG1 C 13 30.750 0.20 . 1 . . . . 215 ILE CG1 . 17714 1 1371 . 1 1 131 131 ILE CG2 C 13 17.243 0.20 . 1 . . . . 215 ILE CG2 . 17714 1 1372 . 1 1 131 131 ILE CD1 C 13 14.086 0.20 . 1 . . . . 215 ILE CD1 . 17714 1 1373 . 1 1 131 131 ILE N N 15 123.918 0.20 . 1 . . . . 215 ILE N . 17714 1 1374 . 1 1 132 132 THR H H 1 8.071 0.02 . 1 . . . . 216 THR H . 17714 1 1375 . 1 1 132 132 THR HA H 1 3.964 0.02 . 1 . . . . 216 THR HA . 17714 1 1376 . 1 1 132 132 THR HB H 1 4.319 0.02 . 1 . . . . 216 THR HB . 17714 1 1377 . 1 1 132 132 THR HG21 H 1 1.238 0.02 . 1 . . . . 216 THR HG2 . 17714 1 1378 . 1 1 132 132 THR HG22 H 1 1.238 0.02 . 1 . . . . 216 THR HG2 . 17714 1 1379 . 1 1 132 132 THR HG23 H 1 1.238 0.02 . 1 . . . . 216 THR HG2 . 17714 1 1380 . 1 1 132 132 THR CA C 13 67.181 0.20 . 1 . . . . 216 THR CA . 17714 1 1381 . 1 1 132 132 THR CB C 13 68.259 0.20 . 1 . . . . 216 THR CB . 17714 1 1382 . 1 1 132 132 THR CG2 C 13 21.453 0.20 . 1 . . . . 216 THR CG2 . 17714 1 1383 . 1 1 132 132 THR N N 15 118.680 0.20 . 1 . . . . 216 THR N . 17714 1 1384 . 1 1 133 133 GLN H H 1 8.735 0.02 . 1 . . . . 217 GLN H . 17714 1 1385 . 1 1 133 133 GLN HA H 1 3.638 0.02 . 1 . . . . 217 GLN HA . 17714 1 1386 . 1 1 133 133 GLN HB2 H 1 2.095 0.02 . 2 . . . . 217 GLN HB2 . 17714 1 1387 . 1 1 133 133 GLN HB3 H 1 2.127 0.02 . 2 . . . . 217 GLN HB3 . 17714 1 1388 . 1 1 133 133 GLN HG2 H 1 2.282 0.02 . 2 . . . . 217 GLN HG2 . 17714 1 1389 . 1 1 133 133 GLN HG3 H 1 2.346 0.02 . 2 . . . . 217 GLN HG3 . 17714 1 1390 . 1 1 133 133 GLN HE21 H 1 7.269 0.02 . 2 . . . . 217 GLN HE21 . 17714 1 1391 . 1 1 133 133 GLN HE22 H 1 6.865 0.02 . 2 . . . . 217 GLN HE22 . 17714 1 1392 . 1 1 133 133 GLN CA C 13 58.731 0.20 . 1 . . . . 217 GLN CA . 17714 1 1393 . 1 1 133 133 GLN CB C 13 28.256 0.20 . 1 . . . . 217 GLN CB . 17714 1 1394 . 1 1 133 133 GLN CG C 13 32.655 0.20 . 1 . . . . 217 GLN CG . 17714 1 1395 . 1 1 133 133 GLN N N 15 122.294 0.20 . 1 . . . . 217 GLN N . 17714 1 1396 . 1 1 133 133 GLN NE2 N 15 115.906 0.20 . 1 . . . . 217 GLN NE2 . 17714 1 1397 . 1 1 134 134 TYR H H 1 8.572 0.02 . 1 . . . . 218 TYR H . 17714 1 1398 . 1 1 134 134 TYR HA H 1 2.965 0.02 . 1 . . . . 218 TYR HA . 17714 1 1399 . 1 1 134 134 TYR HB2 H 1 3.118 0.02 . 2 . . . . 218 TYR HB2 . 17714 1 1400 . 1 1 134 134 TYR HB3 H 1 2.747 0.02 . 2 . . . . 218 TYR HB3 . 17714 1 1401 . 1 1 134 134 TYR HD1 H 1 6.239 0.02 . 3 . . . . 218 TYR HD1 . 17714 1 1402 . 1 1 134 134 TYR HD2 H 1 6.239 0.02 . 3 . . . . 218 TYR HD2 . 17714 1 1403 . 1 1 134 134 TYR HE1 H 1 6.553 0.02 . 3 . . . . 218 TYR HE1 . 17714 1 1404 . 1 1 134 134 TYR HE2 H 1 6.553 0.02 . 3 . . . . 218 TYR HE2 . 17714 1 1405 . 1 1 134 134 TYR CA C 13 62.140 0.20 . 1 . . . . 218 TYR CA . 17714 1 1406 . 1 1 134 134 TYR CB C 13 37.090 0.20 . 1 . . . . 218 TYR CB . 17714 1 1407 . 1 1 134 134 TYR CD1 C 13 132.610 0.20 . 3 . . . . 218 TYR CD1 . 17714 1 1408 . 1 1 134 134 TYR CD2 C 13 132.610 0.20 . 3 . . . . 218 TYR CD2 . 17714 1 1409 . 1 1 134 134 TYR CE1 C 13 117.785 0.20 . 3 . . . . 218 TYR CE1 . 17714 1 1410 . 1 1 134 134 TYR CE2 C 13 117.785 0.20 . 3 . . . . 218 TYR CE2 . 17714 1 1411 . 1 1 134 134 TYR N N 15 121.449 0.20 . 1 . . . . 218 TYR N . 17714 1 1412 . 1 1 135 135 GLU H H 1 8.263 0.02 . 1 . . . . 219 GLU H . 17714 1 1413 . 1 1 135 135 GLU HA H 1 3.708 0.02 . 1 . . . . 219 GLU HA . 17714 1 1414 . 1 1 135 135 GLU HB2 H 1 2.350 0.02 . 2 . . . . 219 GLU HB2 . 17714 1 1415 . 1 1 135 135 GLU HB3 H 1 2.056 0.02 . 2 . . . . 219 GLU HB3 . 17714 1 1416 . 1 1 135 135 GLU HG2 H 1 2.330 0.02 . 2 . . . . 219 GLU HG2 . 17714 1 1417 . 1 1 135 135 GLU HG3 H 1 2.602 0.02 . 2 . . . . 219 GLU HG3 . 17714 1 1418 . 1 1 135 135 GLU CA C 13 59.798 0.20 . 1 . . . . 219 GLU CA . 17714 1 1419 . 1 1 135 135 GLU CB C 13 28.667 0.20 . 1 . . . . 219 GLU CB . 17714 1 1420 . 1 1 135 135 GLU CG C 13 35.781 0.20 . 1 . . . . 219 GLU CG . 17714 1 1421 . 1 1 135 135 GLU N N 15 121.232 0.20 . 1 . . . . 219 GLU N . 17714 1 1422 . 1 1 136 136 ARG H H 1 7.908 0.02 . 1 . . . . 220 ARG H . 17714 1 1423 . 1 1 136 136 ARG HA H 1 3.980 0.02 . 1 . . . . 220 ARG HA . 17714 1 1424 . 1 1 136 136 ARG HB2 H 1 1.832 0.02 . 2 . . . . 220 ARG HB2 . 17714 1 1425 . 1 1 136 136 ARG HB3 H 1 1.803 0.02 . 2 . . . . 220 ARG HB3 . 17714 1 1426 . 1 1 136 136 ARG HG2 H 1 1.618 0.02 . 2 . . . . 220 ARG HG2 . 17714 1 1427 . 1 1 136 136 ARG HG3 H 1 1.618 0.02 . 2 . . . . 220 ARG HG3 . 17714 1 1428 . 1 1 136 136 ARG HD2 H 1 2.914 0.02 . 2 . . . . 220 ARG HD2 . 17714 1 1429 . 1 1 136 136 ARG HD3 H 1 2.882 0.02 . 2 . . . . 220 ARG HD3 . 17714 1 1430 . 1 1 136 136 ARG CA C 13 59.240 0.20 . 1 . . . . 220 ARG CA . 17714 1 1431 . 1 1 136 136 ARG CB C 13 30.659 0.20 . 1 . . . . 220 ARG CB . 17714 1 1432 . 1 1 136 136 ARG CG C 13 27.195 0.20 . 1 . . . . 220 ARG CG . 17714 1 1433 . 1 1 136 136 ARG CD C 13 43.293 0.20 . 1 . . . . 220 ARG CD . 17714 1 1434 . 1 1 136 136 ARG N N 15 119.081 0.20 . 1 . . . . 220 ARG N . 17714 1 1435 . 1 1 137 137 GLU H H 1 8.440 0.02 . 1 . . . . 221 GLU H . 17714 1 1436 . 1 1 137 137 GLU HA H 1 4.023 0.02 . 1 . . . . 221 GLU HA . 17714 1 1437 . 1 1 137 137 GLU HB2 H 1 2.157 0.02 . 2 . . . . 221 GLU HB2 . 17714 1 1438 . 1 1 137 137 GLU HB3 H 1 1.952 0.02 . 2 . . . . 221 GLU HB3 . 17714 1 1439 . 1 1 137 137 GLU HG2 H 1 2.417 0.02 . 2 . . . . 221 GLU HG2 . 17714 1 1440 . 1 1 137 137 GLU HG3 H 1 2.200 0.02 . 2 . . . . 221 GLU HG3 . 17714 1 1441 . 1 1 137 137 GLU CA C 13 57.895 0.20 . 1 . . . . 221 GLU CA . 17714 1 1442 . 1 1 137 137 GLU CB C 13 29.090 0.20 . 1 . . . . 221 GLU CB . 17714 1 1443 . 1 1 137 137 GLU CG C 13 36.600 0.20 . 1 . . . . 221 GLU CG . 17714 1 1444 . 1 1 137 137 GLU N N 15 119.257 0.20 . 1 . . . . 221 GLU N . 17714 1 1445 . 1 1 138 138 SER H H 1 8.458 0.02 . 1 . . . . 222 SER H . 17714 1 1446 . 1 1 138 138 SER HA H 1 3.896 0.02 . 1 . . . . 222 SER HA . 17714 1 1447 . 1 1 138 138 SER HB2 H 1 3.607 0.02 . 2 . . . . 222 SER HB2 . 17714 1 1448 . 1 1 138 138 SER HB3 H 1 3.381 0.02 . 2 . . . . 222 SER HB3 . 17714 1 1449 . 1 1 138 138 SER CA C 13 61.378 0.20 . 1 . . . . 222 SER CA . 17714 1 1450 . 1 1 138 138 SER CB C 13 62.508 0.20 . 1 . . . . 222 SER CB . 17714 1 1451 . 1 1 138 138 SER N N 15 115.812 0.20 . 1 . . . . 222 SER N . 17714 1 1452 . 1 1 139 139 GLN H H 1 7.586 0.02 . 1 . . . . 223 GLN H . 17714 1 1453 . 1 1 139 139 GLN HA H 1 4.116 0.02 . 1 . . . . 223 GLN HA . 17714 1 1454 . 1 1 139 139 GLN HB2 H 1 2.110 0.02 . 2 . . . . 223 GLN HB2 . 17714 1 1455 . 1 1 139 139 GLN HB3 H 1 2.110 0.02 . 2 . . . . 223 GLN HB3 . 17714 1 1456 . 1 1 139 139 GLN HG2 H 1 2.361 0.02 . 2 . . . . 223 GLN HG2 . 17714 1 1457 . 1 1 139 139 GLN HG3 H 1 2.500 0.02 . 2 . . . . 223 GLN HG3 . 17714 1 1458 . 1 1 139 139 GLN HE21 H 1 7.471 0.02 . 2 . . . . 223 GLN HE21 . 17714 1 1459 . 1 1 139 139 GLN HE22 H 1 6.783 0.02 . 2 . . . . 223 GLN HE22 . 17714 1 1460 . 1 1 139 139 GLN CA C 13 58.305 0.20 . 1 . . . . 223 GLN CA . 17714 1 1461 . 1 1 139 139 GLN CB C 13 28.281 0.20 . 1 . . . . 223 GLN CB . 17714 1 1462 . 1 1 139 139 GLN CG C 13 33.937 0.20 . 1 . . . . 223 GLN CG . 17714 1 1463 . 1 1 139 139 GLN N N 15 120.340 0.20 . 1 . . . . 223 GLN N . 17714 1 1464 . 1 1 139 139 GLN NE2 N 15 111.759 0.20 . 1 . . . . 223 GLN NE2 . 17714 1 1465 . 1 1 140 140 ALA H H 1 7.486 0.02 . 1 . . . . 224 ALA H . 17714 1 1466 . 1 1 140 140 ALA HA H 1 4.168 0.02 . 1 . . . . 224 ALA HA . 17714 1 1467 . 1 1 140 140 ALA HB1 H 1 1.416 0.02 . 1 . . . . 224 ALA HB . 17714 1 1468 . 1 1 140 140 ALA HB2 H 1 1.416 0.02 . 1 . . . . 224 ALA HB . 17714 1 1469 . 1 1 140 140 ALA HB3 H 1 1.416 0.02 . 1 . . . . 224 ALA HB . 17714 1 1470 . 1 1 140 140 ALA CA C 13 54.095 0.20 . 1 . . . . 224 ALA CA . 17714 1 1471 . 1 1 140 140 ALA CB C 13 18.501 0.20 . 1 . . . . 224 ALA CB . 17714 1 1472 . 1 1 140 140 ALA N N 15 120.710 0.20 . 1 . . . . 224 ALA N . 17714 1 1473 . 1 1 141 141 TYR HD1 H 1 6.667 0.02 . 3 . . . . 225 TYR HD1 . 17714 1 1474 . 1 1 141 141 TYR HD2 H 1 6.667 0.02 . 3 . . . . 225 TYR HD2 . 17714 1 1475 . 1 1 141 141 TYR CD1 C 13 133.135 0.20 . 3 . . . . 225 TYR CD1 . 17714 1 1476 . 1 1 141 141 TYR CD2 C 13 133.135 0.20 . 3 . . . . 225 TYR CD2 . 17714 1 1477 . 1 1 142 142 TYR H H 1 7.962 0.02 . 1 . . . . 226 TYR H . 17714 1 1478 . 1 1 142 142 TYR HA H 1 4.361 0.02 . 1 . . . . 226 TYR HA . 17714 1 1479 . 1 1 142 142 TYR HB2 H 1 3.163 0.02 . 2 . . . . 226 TYR HB2 . 17714 1 1480 . 1 1 142 142 TYR HB3 H 1 2.933 0.02 . 2 . . . . 226 TYR HB3 . 17714 1 1481 . 1 1 142 142 TYR HD1 H 1 7.205 0.02 . 3 . . . . 226 TYR HD1 . 17714 1 1482 . 1 1 142 142 TYR HD2 H 1 7.205 0.02 . 3 . . . . 226 TYR HD2 . 17714 1 1483 . 1 1 142 142 TYR HE1 H 1 7.095 0.02 . 3 . . . . 226 TYR HE1 . 17714 1 1484 . 1 1 142 142 TYR HE2 H 1 7.095 0.02 . 3 . . . . 226 TYR HE2 . 17714 1 1485 . 1 1 142 142 TYR CA C 13 59.353 0.20 . 1 . . . . 226 TYR CA . 17714 1 1486 . 1 1 142 142 TYR CB C 13 38.091 0.20 . 1 . . . . 226 TYR CB . 17714 1 1487 . 1 1 142 142 TYR CD1 C 13 133.321 0.20 . 3 . . . . 226 TYR CD1 . 17714 1 1488 . 1 1 142 142 TYR CD2 C 13 133.321 0.20 . 3 . . . . 226 TYR CD2 . 17714 1 1489 . 1 1 142 142 TYR CE1 C 13 118.314 0.20 . 3 . . . . 226 TYR CE1 . 17714 1 1490 . 1 1 142 142 TYR CE2 C 13 118.314 0.20 . 3 . . . . 226 TYR CE2 . 17714 1 1491 . 1 1 142 142 TYR N N 15 117.916 0.20 . 1 . . . . 226 TYR N . 17714 1 1492 . 1 1 143 143 GLN H H 1 7.845 0.02 . 1 . . . . 227 GLN H . 17714 1 1493 . 1 1 143 143 GLN HA H 1 4.233 0.02 . 1 . . . . 227 GLN HA . 17714 1 1494 . 1 1 143 143 GLN HB2 H 1 2.057 0.02 . 2 . . . . 227 GLN HB2 . 17714 1 1495 . 1 1 143 143 GLN HB3 H 1 2.140 0.02 . 2 . . . . 227 GLN HB3 . 17714 1 1496 . 1 1 143 143 GLN HG2 H 1 2.403 0.02 . 2 . . . . 227 GLN HG2 . 17714 1 1497 . 1 1 143 143 GLN HG3 H 1 2.331 0.02 . 2 . . . . 227 GLN HG3 . 17714 1 1498 . 1 1 143 143 GLN HE21 H 1 7.449 0.02 . 2 . . . . 227 GLN HE21 . 17714 1 1499 . 1 1 143 143 GLN HE22 H 1 6.806 0.02 . 2 . . . . 227 GLN HE22 . 17714 1 1500 . 1 1 143 143 GLN CA C 13 56.481 0.20 . 1 . . . . 227 GLN CA . 17714 1 1501 . 1 1 143 143 GLN CB C 13 28.830 0.20 . 1 . . . . 227 GLN CB . 17714 1 1502 . 1 1 143 143 GLN CG C 13 33.989 0.20 . 1 . . . . 227 GLN CG . 17714 1 1503 . 1 1 143 143 GLN N N 15 119.353 0.20 . 1 . . . . 227 GLN N . 17714 1 1504 . 1 1 143 143 GLN NE2 N 15 111.904 0.20 . 1 . . . . 227 GLN NE2 . 17714 1 1505 . 1 1 144 144 ARG H H 1 7.916 0.02 . 1 . . . . 228 ARG H . 17714 1 1506 . 1 1 144 144 ARG HA H 1 4.210 0.02 . 1 . . . . 228 ARG HA . 17714 1 1507 . 1 1 144 144 ARG HB2 H 1 1.817 0.02 . 2 . . . . 228 ARG HB2 . 17714 1 1508 . 1 1 144 144 ARG HB3 H 1 1.817 0.02 . 2 . . . . 228 ARG HB3 . 17714 1 1509 . 1 1 144 144 ARG HG2 H 1 1.616 0.02 . 2 . . . . 228 ARG HG2 . 17714 1 1510 . 1 1 144 144 ARG HG3 H 1 1.687 0.02 . 2 . . . . 228 ARG HG3 . 17714 1 1511 . 1 1 144 144 ARG HD2 H 1 3.207 0.02 . 2 . . . . 228 ARG HD2 . 17714 1 1512 . 1 1 144 144 ARG HD3 H 1 3.128 0.02 . 2 . . . . 228 ARG HD3 . 17714 1 1513 . 1 1 144 144 ARG CA C 13 56.870 0.20 . 1 . . . . 228 ARG CA . 17714 1 1514 . 1 1 144 144 ARG CB C 13 30.698 0.20 . 1 . . . . 228 ARG CB . 17714 1 1515 . 1 1 144 144 ARG CG C 13 27.224 0.20 . 1 . . . . 228 ARG CG . 17714 1 1516 . 1 1 144 144 ARG CD C 13 43.569 0.20 . 1 . . . . 228 ARG CD . 17714 1 1517 . 1 1 144 144 ARG N N 15 120.687 0.20 . 1 . . . . 228 ARG N . 17714 1 1518 . 1 1 145 145 GLY H H 1 8.225 0.02 . 1 . . . . 229 GLY H . 17714 1 1519 . 1 1 145 145 GLY HA2 H 1 3.979 0.02 . 2 . . . . 229 GLY HA2 . 17714 1 1520 . 1 1 145 145 GLY HA3 H 1 3.979 0.02 . 2 . . . . 229 GLY HA3 . 17714 1 1521 . 1 1 145 145 GLY CA C 13 45.379 0.20 . 1 . . . . 229 GLY CA . 17714 1 1522 . 1 1 145 145 GLY N N 15 109.167 0.20 . 1 . . . . 229 GLY N . 17714 1 1523 . 1 1 146 146 SER H H 1 8.111 0.02 . 1 . . . . 230 SER H . 17714 1 1524 . 1 1 146 146 SER HA H 1 4.492 0.02 . 1 . . . . 230 SER HA . 17714 1 1525 . 1 1 146 146 SER HB2 H 1 3.870 0.02 . 2 . . . . 230 SER HB2 . 17714 1 1526 . 1 1 146 146 SER HB3 H 1 3.870 0.02 . 2 . . . . 230 SER HB3 . 17714 1 1527 . 1 1 146 146 SER CA C 13 58.266 0.20 . 1 . . . . 230 SER CA . 17714 1 1528 . 1 1 146 146 SER CB C 13 64.051 0.20 . 1 . . . . 230 SER CB . 17714 1 1529 . 1 1 146 146 SER N N 15 115.696 0.20 . 1 . . . . 230 SER N . 17714 1 1530 . 1 1 147 147 SER H H 1 7.983 0.02 . 1 . . . . 231 SER H . 17714 1 1531 . 1 1 147 147 SER HA H 1 4.296 0.02 . 1 . . . . 231 SER HA . 17714 1 1532 . 1 1 147 147 SER HB2 H 1 3.856 0.02 . 2 . . . . 231 SER HB2 . 17714 1 1533 . 1 1 147 147 SER HB3 H 1 3.856 0.02 . 2 . . . . 231 SER HB3 . 17714 1 1534 . 1 1 147 147 SER CA C 13 60.086 0.20 . 1 . . . . 231 SER CA . 17714 1 1535 . 1 1 147 147 SER CB C 13 64.840 0.20 . 1 . . . . 231 SER CB . 17714 1 1536 . 1 1 147 147 SER N N 15 122.862 0.20 . 1 . . . . 231 SER N . 17714 1 stop_ save_