data_4434 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4434 _Entry.Title ; NMR Solution Structure of the Human Prion Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-10-06 _Entry.Accession_date 1999-10-06 _Entry.Last_release_date 2000-02-01 _Entry.Original_release_date 2000-02-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Ralph Zahn . . . 4434 2 Liu Aizhuo . . . 4434 3 Thorsten Luhrs . . . 4434 4 Luigi Calzolai . . . 4434 5 Christine 'von Schroetter' . . . 4434 6 Francisco 'Lopez Garcia' . . . 4434 7 Roland Riek . . . 4434 8 Gerhard Wider . . . 4434 9 Martin Billeter . . . 4434 10 Kurt Wuthrich . . . 4434 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4434 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 954 4434 '13C chemical shifts' 441 4434 '15N chemical shifts' 160 4434 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-02-01 1999-10-06 original author . 4434 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4402 'human prion protein hPrP(23-230)' 4434 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4434 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR Solution Structure of the Human Prion Protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 97 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 145 _Citation.Page_last 150 _Citation.Year 2000 _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 Ralph Zahn . . . 4434 1 2 Aizhuo Liu . . . 4434 1 3 Thorsten Luhrs . . . 4434 1 4 Roland Riek . . . 4434 1 5 Christine 'von Schroetter' . . . 4434 1 6 Francisco 'Lopez Garcia' . . . 4434 1 7 Martin Billeter . . . 4434 1 8 Luigi Calzolai . . . 4434 1 9 Gerhard Wider . . . 4434 1 10 Kurt Wuthrich . . . 4434 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_hPrP(90-230) _Assembly.Sf_category assembly _Assembly.Sf_framecode hPrP(90-230) _Assembly.Entry_ID 4434 _Assembly.ID 1 _Assembly.Name 'Human prion protein fragment 90-230' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4434 1 stop_ 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 hPrP(90-230) 1 $hPrP . . . native . . . . . 4434 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 92 92 SG . 1 . 1 CYS 127 127 SG . . . . . . . . . . 4434 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Human prion protein fragment 90-230' system 4434 1 hPrP(90-230) abbreviation 4434 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hPrP _Entity.Sf_category entity _Entity.Sf_framecode hPrP _Entity.Entry_ID 4434 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human prion protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGQGGGTHSQWNKPSKPKT NMKHMAGAAAAGAVVGGLGG YMLGSAMSRPIIHFGSDYED RYYRENMHRYPNQVYYRPMD EYSNQNNFVHDCVNITIKQH TVTTTTKGENFTETDVKMME RVVEQMCITQYERESQAYYQ RGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16061 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The N-terminal two residues (GS) are a cloning artefact.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 . . . . . 98.60 146 98.58 100.00 1.42e-99 . . . . 4434 1 2 no BMRB 16743 . "HuPrP(90-231 M129 Q212P)" . . . . . 98.60 148 99.29 99.29 7.31e-100 . . . . 4434 1 3 no BMRB 16757 . PrP^(91-231) . . . . . 98.60 145 97.87 100.00 4.57e-99 . . . . 4434 1 4 no BMRB 17714 . HuPrP . . . . . 98.60 147 99.29 100.00 7.61e-101 . . . . 4434 1 5 no BMRB 17756 . hPrP(121-230) . . . . . 76.92 113 100.00 100.00 2.19e-75 . . . . 4434 1 6 no BMRB 17757 . hPrP(121-230) . . . . . 76.92 113 98.18 98.18 1.36e-72 . . . . 4434 1 7 no BMRB 17780 . Hpp_E219K . . . . . 98.60 142 99.29 100.00 1.34e-100 . . . . 4434 1 8 no BMRB 18426 . entity . . . . . 98.60 142 100.00 100.00 3.73e-101 . . . . 4434 1 9 no BMRB 18550 . V210I . . . . . 98.60 147 99.29 100.00 7.61e-101 . . . . 4434 1 10 no BMRB 19268 . MAJOR_PRION_PROTEIN . . . . . 98.60 146 99.29 100.00 2.03e-100 . . . . 4434 1 11 no BMRB 4379 . "human prion protein" . . . . . 78.32 112 99.11 100.00 1.10e-76 . . . . 4434 1 12 no BMRB 4402 . "human prion protein" . . . . . 100.00 210 99.30 99.30 3.82e-100 . . . . 4434 1 13 no BMRB 4620 . "prion protein" . . . . . 78.32 112 98.21 100.00 2.79e-76 . . . . 4434 1 14 no BMRB 4641 . "PRION PROTEIN" . . . . . 98.60 146 99.29 100.00 1.65e-100 . . . . 4434 1 15 no BMRB 4736 . "human prion protein" . . . . . 78.32 112 98.21 100.00 4.08e-76 . . . . 4434 1 16 no PDB 1E1G . "Human Prion Protein Variant M166v" . . . . . 72.03 104 99.03 100.00 9.78e-70 . . . . 4434 1 17 no PDB 1E1J . "Human Prion Protein Variant M166v" . . . . . 72.03 104 99.03 100.00 9.78e-70 . . . . 4434 1 18 no PDB 1E1P . "Human Prion Protein Variant S170n" . . . . . 72.03 104 99.03 100.00 8.31e-70 . . . . 4434 1 19 no PDB 1E1S . "Human Prion Protein Variant S170n" . . . . . 72.03 104 99.03 100.00 8.31e-70 . . . . 4434 1 20 no PDB 1E1U . "Human Prion Protein Variant R220k" . . . . . 72.03 104 99.03 100.00 5.80e-70 . . . . 4434 1 21 no PDB 1E1W . "Human Prion Protein Variant R220k" . . . . . 72.03 104 99.03 100.00 5.80e-70 . . . . 4434 1 22 no PDB 1FKC . "Human Prion Protein (Mutant E200k) Fragment 90-231" . . . . . 98.60 142 99.29 100.00 1.34e-100 . . . . 4434 1 23 no PDB 1FO7 . "Human Prion Protein Mutant E200k Fragment 90-231" . . . . . 98.60 142 99.29 100.00 1.34e-100 . . . . 4434 1 24 no PDB 1H0L . "Human Prion Protein 121-230 M166c/e221c" . . . . . 77.62 112 97.30 98.20 1.17e-73 . . . . 4434 1 25 no PDB 1HJM . "Human Prion Protein At Ph 7.0" . . . . . 72.03 104 100.00 100.00 2.13e-70 . . . . 4434 1 26 no PDB 1HJN . "Human Prion Protein At Ph 7.0" . . . . . 72.03 104 100.00 100.00 2.13e-70 . . . . 4434 1 27 no PDB 1I4M . "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" . . . . . 75.52 108 100.00 100.00 3.83e-74 . . . . 4434 1 28 no PDB 1QLX . "Human Prion Protein" . . . . . 100.00 210 99.30 99.30 3.82e-100 . . . . 4434 1 29 no PDB 1QLZ . "Human Prion Protein" . . . . . 100.00 210 99.30 99.30 3.82e-100 . . . . 4434 1 30 no PDB 1QM0 . "Human Prion Protein Fragment 90-230" . . . . . 100.00 143 100.00 100.00 1.55e-102 . . . . 4434 1 31 no PDB 1QM1 . "Human Prion Protein Fragment 90-230" . . . . . 100.00 143 100.00 100.00 1.55e-102 . . . . 4434 1 32 no PDB 1QM2 . "Human Prion Protein Fragment 121-230" . . . . . 78.32 112 99.11 100.00 1.10e-76 . . . . 4434 1 33 no PDB 1QM3 . "Human Prion Protein Fragment 121-230" . . . . . 78.32 112 99.11 100.00 1.10e-76 . . . . 4434 1 34 no PDB 2K1D . "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" . . . . . 98.60 146 98.58 100.00 1.42e-99 . . . . 4434 1 35 no PDB 2KUN . "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" . . . . . 98.60 148 99.29 99.29 7.31e-100 . . . . 4434 1 36 no PDB 2LEJ . "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" . . . . . 98.60 147 99.29 100.00 7.61e-101 . . . . 4434 1 37 no PDB 2LFT . "Human Prion Protein With E219k Protective Polymorphism" . . . . . 98.60 142 99.29 100.00 1.34e-100 . . . . 4434 1 38 no PDB 2LSB . "Solution-State Nmr Structure Of The Human Prion Protein" . . . . . 98.60 142 100.00 100.00 3.73e-101 . . . . 4434 1 39 no PDB 2LV1 . "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" . . . . . 98.60 147 99.29 100.00 7.61e-101 . . . . 4434 1 40 no PDB 2M8T . "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" . . . . . 98.60 146 99.29 100.00 2.03e-100 . . . . 4434 1 41 no PDB 2W9E . "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" . . . . . 78.32 113 100.00 100.00 2.85e-77 . . . . 4434 1 42 no PDB 3HAF . "Human Prion Protein Variant V129 Domain Swapped Dimer" . . . . . 98.60 142 99.29 100.00 1.86e-100 . . . . 4434 1 43 no PDB 3HAK . "Human Prion Protein Variant V129" . . . . . 72.03 103 99.03 100.00 7.71e-70 . . . . 4434 1 44 no PDB 3HEQ . "Human Prion Protein Variant D178n With M129" . . . . . 98.60 142 99.29 100.00 2.03e-100 . . . . 4434 1 45 no PDB 3HER . "Human Prion Protein Variant F198s With V129" . . . . . 98.60 142 98.58 99.29 2.59e-99 . . . . 4434 1 46 no PDB 3HES . "Human Prion Protein Variant F198s With M129" . . . . . 98.60 142 99.29 99.29 8.12e-100 . . . . 4434 1 47 no PDB 3HJ5 . "Human Prion Protein Variant V129 Domain Swapped Dimer" . . . . . 98.60 142 99.29 100.00 1.86e-100 . . . . 4434 1 48 no PDB 3HJX . "Human Prion Protein Variant D178n With V129" . . . . . 73.43 106 98.10 100.00 1.37e-70 . . . . 4434 1 49 no PDB 4DGI . "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" . . . . . 77.62 111 100.00 100.00 1.93e-76 . . . . 4434 1 50 no PDB 4KML . "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Full-length Human Prion Protein Bound To A Nanobod" . . . . . 100.00 241 99.30 99.30 7.28e-100 . . . . 4434 1 51 no PDB 4N9O . "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" . . . . . 98.60 142 100.00 100.00 3.73e-101 . . . . 4434 1 52 no DBJ BAA00011 . "prion protein [Homo sapiens]" . . . . . 100.00 245 98.60 98.60 4.58e-97 . . . . 4434 1 53 no DBJ BAF62360 . "prion protein, transcript variant 2 [Pan troglodytes verus]" . . . . . 100.00 253 97.90 99.30 2.73e-98 . . . . 4434 1 54 no DBJ BAG32276 . "prion [Homo sapiens]" . . . . . 100.00 253 99.30 99.30 1.69e-99 . . . . 4434 1 55 no DBJ BAG32277 . "prion [Homo sapiens]" . . . . . 100.00 253 98.60 99.30 8.14e-99 . . . . 4434 1 56 no DBJ BAG32278 . "alternatively spliced variant form of prion [Homo sapiens]" . . . . . 90.91 230 99.23 99.23 1.30e-89 . . . . 4434 1 57 no EMBL CAA58442 . "prion protein [Homo sapiens]" . . . . . 100.00 245 99.30 99.30 1.15e-99 . . . . 4434 1 58 no EMBL CAG46836 . "PRNP [Homo sapiens]" . . . . . 100.00 253 97.90 98.60 2.23e-96 . . . . 4434 1 59 no EMBL CAG46869 . "PRNP [Homo sapiens]" . . . . . 100.00 253 98.60 99.30 8.14e-99 . . . . 4434 1 60 no EMBL CAH92912 . "hypothetical protein [Pongo abelii]" . . . . . 95.10 253 97.06 100.00 1.36e-79 . . . . 4434 1 61 no GB AAA19664 . "prion protein [Homo sapiens]" . . . . . 100.00 245 98.60 98.60 4.58e-97 . . . . 4434 1 62 no GB AAA60182 . "prion protein [Homo sapiens]" . . . . . 100.00 253 99.30 99.30 1.69e-99 . . . . 4434 1 63 no GB AAA68632 . "major prion protein precursor [Pan troglodytes]" . . . . . 100.00 253 97.90 99.30 2.73e-98 . . . . 4434 1 64 no GB AAA68633 . "major prion protein precursor [Gorilla gorilla]" . . . . . 100.00 253 98.60 99.30 3.48e-99 . . . . 4434 1 65 no GB AAB59442 . "prion protein, partial [Homo sapiens]" . . . . . 100.00 224 99.30 99.30 7.93e-100 . . . . 4434 1 66 no REF NP_000302 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 99.30 99.30 1.69e-99 . . . . 4434 1 67 no REF NP_001009093 . "major prion protein preproprotein [Pan troglodytes]" . . . . . 100.00 253 97.90 99.30 2.73e-98 . . . . 4434 1 68 no REF NP_001073590 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 99.30 99.30 1.69e-99 . . . . 4434 1 69 no REF NP_001073591 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 99.30 99.30 1.69e-99 . . . . 4434 1 70 no REF NP_001073592 . "major prion protein preproprotein [Homo sapiens]" . . . . . 100.00 253 99.30 99.30 1.69e-99 . . . . 4434 1 71 no SP P04156 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=ASCR; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_" . . . . . 100.00 253 99.30 99.30 1.69e-99 . . . . 4434 1 72 no SP P40252 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 100.00 253 98.60 99.30 5.15e-99 . . . . 4434 1 73 no SP P40256 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 95.10 253 97.06 100.00 1.36e-79 . . . . 4434 1 74 no SP P61766 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 100.00 253 97.90 99.30 2.73e-98 . . . . 4434 1 75 no SP P61767 . "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" . . . . . 100.00 253 97.90 99.30 2.73e-98 . . . . 4434 1 76 no TPE CAJ43808 . "TPA: prion protein PrP [Pongo abelii]" . . . . . 95.10 253 97.06 100.00 1.36e-79 . . . . 4434 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'human prion protein' common 4434 1 hPrP abbreviation 4434 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 88 GLY . 4434 1 2 89 SER . 4434 1 3 90 GLY . 4434 1 4 91 GLN . 4434 1 5 92 GLY . 4434 1 6 93 GLY . 4434 1 7 94 GLY . 4434 1 8 95 THR . 4434 1 9 96 HIS . 4434 1 10 97 SER . 4434 1 11 98 GLN . 4434 1 12 99 TRP . 4434 1 13 100 ASN . 4434 1 14 101 LYS . 4434 1 15 102 PRO . 4434 1 16 103 SER . 4434 1 17 104 LYS . 4434 1 18 105 PRO . 4434 1 19 106 LYS . 4434 1 20 107 THR . 4434 1 21 108 ASN . 4434 1 22 109 MET . 4434 1 23 110 LYS . 4434 1 24 111 HIS . 4434 1 25 112 MET . 4434 1 26 113 ALA . 4434 1 27 114 GLY . 4434 1 28 115 ALA . 4434 1 29 116 ALA . 4434 1 30 117 ALA . 4434 1 31 118 ALA . 4434 1 32 119 GLY . 4434 1 33 120 ALA . 4434 1 34 121 VAL . 4434 1 35 122 VAL . 4434 1 36 123 GLY . 4434 1 37 124 GLY . 4434 1 38 125 LEU . 4434 1 39 126 GLY . 4434 1 40 127 GLY . 4434 1 41 128 TYR . 4434 1 42 129 MET . 4434 1 43 130 LEU . 4434 1 44 131 GLY . 4434 1 45 132 SER . 4434 1 46 133 ALA . 4434 1 47 134 MET . 4434 1 48 135 SER . 4434 1 49 136 ARG . 4434 1 50 137 PRO . 4434 1 51 138 ILE . 4434 1 52 139 ILE . 4434 1 53 140 HIS . 4434 1 54 141 PHE . 4434 1 55 142 GLY . 4434 1 56 143 SER . 4434 1 57 144 ASP . 4434 1 58 145 TYR . 4434 1 59 146 GLU . 4434 1 60 147 ASP . 4434 1 61 148 ARG . 4434 1 62 149 TYR . 4434 1 63 150 TYR . 4434 1 64 151 ARG . 4434 1 65 152 GLU . 4434 1 66 153 ASN . 4434 1 67 154 MET . 4434 1 68 155 HIS . 4434 1 69 156 ARG . 4434 1 70 157 TYR . 4434 1 71 158 PRO . 4434 1 72 159 ASN . 4434 1 73 160 GLN . 4434 1 74 161 VAL . 4434 1 75 162 TYR . 4434 1 76 163 TYR . 4434 1 77 164 ARG . 4434 1 78 165 PRO . 4434 1 79 166 MET . 4434 1 80 167 ASP . 4434 1 81 168 GLU . 4434 1 82 169 TYR . 4434 1 83 170 SER . 4434 1 84 171 ASN . 4434 1 85 172 GLN . 4434 1 86 173 ASN . 4434 1 87 174 ASN . 4434 1 88 175 PHE . 4434 1 89 176 VAL . 4434 1 90 177 HIS . 4434 1 91 178 ASP . 4434 1 92 179 CYS . 4434 1 93 180 VAL . 4434 1 94 181 ASN . 4434 1 95 182 ILE . 4434 1 96 183 THR . 4434 1 97 184 ILE . 4434 1 98 185 LYS . 4434 1 99 186 GLN . 4434 1 100 187 HIS . 4434 1 101 188 THR . 4434 1 102 189 VAL . 4434 1 103 190 THR . 4434 1 104 191 THR . 4434 1 105 192 THR . 4434 1 106 193 THR . 4434 1 107 194 LYS . 4434 1 108 195 GLY . 4434 1 109 196 GLU . 4434 1 110 197 ASN . 4434 1 111 198 PHE . 4434 1 112 199 THR . 4434 1 113 200 GLU . 4434 1 114 201 THR . 4434 1 115 202 ASP . 4434 1 116 203 VAL . 4434 1 117 204 LYS . 4434 1 118 205 MET . 4434 1 119 206 MET . 4434 1 120 207 GLU . 4434 1 121 208 ARG . 4434 1 122 209 VAL . 4434 1 123 210 VAL . 4434 1 124 211 GLU . 4434 1 125 212 GLN . 4434 1 126 213 MET . 4434 1 127 214 CYS . 4434 1 128 215 ILE . 4434 1 129 216 THR . 4434 1 130 217 GLN . 4434 1 131 218 TYR . 4434 1 132 219 GLU . 4434 1 133 220 ARG . 4434 1 134 221 GLU . 4434 1 135 222 SER . 4434 1 136 223 GLN . 4434 1 137 224 ALA . 4434 1 138 225 TYR . 4434 1 139 226 TYR . 4434 1 140 227 GLN . 4434 1 141 228 ARG . 4434 1 142 229 GLY . 4434 1 143 230 SER . 4434 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 4434 1 . SER 2 2 4434 1 . GLY 3 3 4434 1 . GLN 4 4 4434 1 . GLY 5 5 4434 1 . GLY 6 6 4434 1 . GLY 7 7 4434 1 . THR 8 8 4434 1 . HIS 9 9 4434 1 . SER 10 10 4434 1 . GLN 11 11 4434 1 . TRP 12 12 4434 1 . ASN 13 13 4434 1 . LYS 14 14 4434 1 . PRO 15 15 4434 1 . SER 16 16 4434 1 . LYS 17 17 4434 1 . PRO 18 18 4434 1 . LYS 19 19 4434 1 . THR 20 20 4434 1 . ASN 21 21 4434 1 . MET 22 22 4434 1 . LYS 23 23 4434 1 . HIS 24 24 4434 1 . MET 25 25 4434 1 . ALA 26 26 4434 1 . GLY 27 27 4434 1 . ALA 28 28 4434 1 . ALA 29 29 4434 1 . ALA 30 30 4434 1 . ALA 31 31 4434 1 . GLY 32 32 4434 1 . ALA 33 33 4434 1 . VAL 34 34 4434 1 . VAL 35 35 4434 1 . GLY 36 36 4434 1 . GLY 37 37 4434 1 . LEU 38 38 4434 1 . GLY 39 39 4434 1 . GLY 40 40 4434 1 . TYR 41 41 4434 1 . MET 42 42 4434 1 . LEU 43 43 4434 1 . GLY 44 44 4434 1 . SER 45 45 4434 1 . ALA 46 46 4434 1 . MET 47 47 4434 1 . SER 48 48 4434 1 . ARG 49 49 4434 1 . PRO 50 50 4434 1 . ILE 51 51 4434 1 . ILE 52 52 4434 1 . HIS 53 53 4434 1 . PHE 54 54 4434 1 . GLY 55 55 4434 1 . SER 56 56 4434 1 . ASP 57 57 4434 1 . TYR 58 58 4434 1 . GLU 59 59 4434 1 . ASP 60 60 4434 1 . ARG 61 61 4434 1 . TYR 62 62 4434 1 . TYR 63 63 4434 1 . ARG 64 64 4434 1 . GLU 65 65 4434 1 . ASN 66 66 4434 1 . MET 67 67 4434 1 . HIS 68 68 4434 1 . ARG 69 69 4434 1 . TYR 70 70 4434 1 . PRO 71 71 4434 1 . ASN 72 72 4434 1 . GLN 73 73 4434 1 . VAL 74 74 4434 1 . TYR 75 75 4434 1 . TYR 76 76 4434 1 . ARG 77 77 4434 1 . PRO 78 78 4434 1 . MET 79 79 4434 1 . ASP 80 80 4434 1 . GLU 81 81 4434 1 . TYR 82 82 4434 1 . SER 83 83 4434 1 . ASN 84 84 4434 1 . GLN 85 85 4434 1 . ASN 86 86 4434 1 . ASN 87 87 4434 1 . PHE 88 88 4434 1 . VAL 89 89 4434 1 . HIS 90 90 4434 1 . ASP 91 91 4434 1 . CYS 92 92 4434 1 . VAL 93 93 4434 1 . ASN 94 94 4434 1 . ILE 95 95 4434 1 . THR 96 96 4434 1 . ILE 97 97 4434 1 . LYS 98 98 4434 1 . GLN 99 99 4434 1 . HIS 100 100 4434 1 . THR 101 101 4434 1 . VAL 102 102 4434 1 . THR 103 103 4434 1 . THR 104 104 4434 1 . THR 105 105 4434 1 . THR 106 106 4434 1 . LYS 107 107 4434 1 . GLY 108 108 4434 1 . GLU 109 109 4434 1 . ASN 110 110 4434 1 . PHE 111 111 4434 1 . THR 112 112 4434 1 . GLU 113 113 4434 1 . THR 114 114 4434 1 . ASP 115 115 4434 1 . VAL 116 116 4434 1 . LYS 117 117 4434 1 . MET 118 118 4434 1 . MET 119 119 4434 1 . GLU 120 120 4434 1 . ARG 121 121 4434 1 . VAL 122 122 4434 1 . VAL 123 123 4434 1 . GLU 124 124 4434 1 . GLN 125 125 4434 1 . MET 126 126 4434 1 . CYS 127 127 4434 1 . ILE 128 128 4434 1 . THR 129 129 4434 1 . GLN 130 130 4434 1 . TYR 131 131 4434 1 . GLU 132 132 4434 1 . ARG 133 133 4434 1 . GLU 134 134 4434 1 . SER 135 135 4434 1 . GLN 136 136 4434 1 . ALA 137 137 4434 1 . TYR 138 138 4434 1 . TYR 139 139 4434 1 . GLN 140 140 4434 1 . ARG 141 141 4434 1 . GLY 142 142 4434 1 . SER 143 143 4434 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 4434 _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 $hPrP . 9606 . . 'homo sapiens' human . . Eukaryota metazoa homo sapiens . . . . . . . . . . . . . . . . . . . . . 4434 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 4434 _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 $hPrP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4434 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4434 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'human prion protein' . . . 1 $hPrP . . 2.0 . . mM . . . . 4434 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4434 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'human prion protein' [U-15N] . . 1 $hPrP . . 2.0 . . mM . . . . 4434 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4434 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'human prion protein' '[U-15N; U-13C]' . . 1 $hPrP . . 2.0 . . mM . . . . 4434 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4434 _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 pH 4.5 0.1 N/A 4434 1 temperature 293 1 K 4434 1 'ionic strength' 0.01 0.001 M 4434 1 stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 4434 _Software.ID 1 _Software.Name PROSA _Software.Version . _Software.Details . save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 4434 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 4434 _Software.ID 3 _Software.Name DYANA _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4434 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4434 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4434 _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 NMR_spectrometer1 Bruker DRX . 600 . . . 4434 1 2 NMR_spectrometer2 Bruker DRX . 750 . . . 4434 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 4434 _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 '1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4434 1 2 '1H-1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4434 1 3 'HCCH COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4434 1 4 'HCCH TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4434 1 5 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4434 1 6 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4434 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4434 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4434 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4434 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 'HCCH COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4434 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'HCCH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4434 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4434 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4434 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4434 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4434 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4434 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_CSS _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CSS _Assigned_chem_shift_list.Entry_ID 4434 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 '1H-1H-15N NOESY' . . . 4434 1 2 '1H-1H-13C NOESY' . . . 4434 1 3 'HCCH COSY' . . . 4434 1 4 'HCCH TOCSY' . . . 4434 1 5 HNCA . . . 4434 1 6 HNCACB . . . 4434 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 43.0 . . 1 . . . . . . . . 4434 1 2 . 1 1 1 1 GLY HA2 H 1 3.89 . . 1 . . . . . . . . 4434 1 3 . 1 1 1 1 GLY HA3 H 1 3.89 . . 1 . . . . . . . . 4434 1 4 . 1 1 2 2 SER N N 15 115.7 . . 1 . . . . . . . . 4434 1 5 . 1 1 2 2 SER H H 1 8.73 . . 1 . . . . . . . . 4434 1 6 . 1 1 2 2 SER CA C 13 58.0 . . 1 . . . . . . . . 4434 1 7 . 1 1 2 2 SER HA H 1 4.39 . . 1 . . . . . . . . 4434 1 8 . 1 1 2 2 SER CB C 13 63.4 . . 1 . . . . . . . . 4434 1 9 . 1 1 2 2 SER HB2 H 1 3.89 . . 1 . . . . . . . . 4434 1 10 . 1 1 2 2 SER HB3 H 1 3.89 . . 1 . . . . . . . . 4434 1 11 . 1 1 3 3 GLY N N 15 111.1 . . 1 . . . . . . . . 4434 1 12 . 1 1 3 3 GLY H H 1 8.61 . . 1 . . . . . . . . 4434 1 13 . 1 1 3 3 GLY CA C 13 45.0 . . 1 . . . . . . . . 4434 1 14 . 1 1 3 3 GLY HA2 H 1 3.96 . . 1 . . . . . . . . 4434 1 15 . 1 1 3 3 GLY HA3 H 1 3.96 . . 1 . . . . . . . . 4434 1 16 . 1 1 4 4 GLN N N 15 119.8 . . 1 . . . . . . . . 4434 1 17 . 1 1 4 4 GLN H H 1 8.32 . . 1 . . . . . . . . 4434 1 18 . 1 1 4 4 GLN CA C 13 55.5 . . 1 . . . . . . . . 4434 1 19 . 1 1 4 4 GLN HA H 1 4.35 . . 1 . . . . . . . . 4434 1 20 . 1 1 4 4 GLN CB C 13 29.2 . . 1 . . . . . . . . 4434 1 21 . 1 1 4 4 GLN HB2 H 1 2.11 . . 2 . . . . . . . . 4434 1 22 . 1 1 4 4 GLN HB3 H 1 1.96 . . 2 . . . . . . . . 4434 1 23 . 1 1 4 4 GLN CG C 13 33.6 . . 1 . . . . . . . . 4434 1 24 . 1 1 4 4 GLN HG2 H 1 2.33 . . 1 . . . . . . . . 4434 1 25 . 1 1 4 4 GLN HG3 H 1 2.33 . . 1 . . . . . . . . 4434 1 26 . 1 1 4 4 GLN NE2 N 15 112.0 . . 1 . . . . . . . . 4434 1 27 . 1 1 4 4 GLN HE21 H 1 7.52 . . 2 . . . . . . . . 4434 1 28 . 1 1 4 4 GLN HE22 H 1 6.85 . . 2 . . . . . . . . 4434 1 29 . 1 1 5 5 GLY N N 15 110.4 . . 1 . . . . . . . . 4434 1 30 . 1 1 5 5 GLY H H 1 8.55 . . 1 . . . . . . . . 4434 1 31 . 1 1 5 5 GLY CA C 13 45.0 . . 1 . . . . . . . . 4434 1 32 . 1 1 5 5 GLY HA2 H 1 3.93 . . 1 . . . . . . . . 4434 1 33 . 1 1 5 5 GLY HA3 H 1 3.93 . . 1 . . . . . . . . 4434 1 34 . 1 1 6 6 GLY N N 15 108.9 . . 1 . . . . . . . . 4434 1 35 . 1 1 6 6 GLY H H 1 8.35 . . 1 . . . . . . . . 4434 1 36 . 1 1 6 6 GLY CA C 13 44.7 . . 1 . . . . . . . . 4434 1 37 . 1 1 6 6 GLY HA2 H 1 3.98 . . 1 . . . . . . . . 4434 1 38 . 1 1 6 6 GLY HA3 H 1 3.98 . . 1 . . . . . . . . 4434 1 39 . 1 1 7 7 GLY N N 15 108.8 . . 1 . . . . . . . . 4434 1 40 . 1 1 7 7 GLY H H 1 8.35 . . 1 . . . . . . . . 4434 1 41 . 1 1 7 7 GLY CA C 13 44.9 . . 1 . . . . . . . . 4434 1 42 . 1 1 7 7 GLY HA2 H 1 3.95 . . 1 . . . . . . . . 4434 1 43 . 1 1 7 7 GLY HA3 H 1 3.95 . . 1 . . . . . . . . 4434 1 44 . 1 1 8 8 THR N N 15 113.3 . . 1 . . . . . . . . 4434 1 45 . 1 1 8 8 THR H H 1 8.13 . . 1 . . . . . . . . 4434 1 46 . 1 1 8 8 THR CA C 13 61.6 . . 1 . . . . . . . . 4434 1 47 . 1 1 8 8 THR HA H 1 4.26 . . 1 . . . . . . . . 4434 1 48 . 1 1 8 8 THR CB C 13 69.9 . . 1 . . . . . . . . 4434 1 49 . 1 1 8 8 THR HB H 1 4.15 . . 1 . . . . . . . . 4434 1 50 . 1 1 8 8 THR HG21 H 1 1.13 . . 1 . . . . . . . . 4434 1 51 . 1 1 8 8 THR HG22 H 1 1.13 . . 1 . . . . . . . . 4434 1 52 . 1 1 8 8 THR HG23 H 1 1.13 . . 1 . . . . . . . . 4434 1 53 . 1 1 8 8 THR CG2 C 13 21.6 . . 1 . . . . . . . . 4434 1 54 . 1 1 9 9 HIS N N 15 120.5 . . 1 . . . . . . . . 4434 1 55 . 1 1 9 9 HIS H H 1 8.58 . . 1 . . . . . . . . 4434 1 56 . 1 1 9 9 HIS CA C 13 55.0 . . 1 . . . . . . . . 4434 1 57 . 1 1 9 9 HIS HA H 1 4.72 . . 1 . . . . . . . . 4434 1 58 . 1 1 9 9 HIS CB C 13 28.4 . . 1 . . . . . . . . 4434 1 59 . 1 1 9 9 HIS HB2 H 1 3.24 . . 2 . . . . . . . . 4434 1 60 . 1 1 9 9 HIS HB3 H 1 3.13 . . 2 . . . . . . . . 4434 1 61 . 1 1 9 9 HIS CD2 C 13 120.6 . . 1 . . . . . . . . 4434 1 62 . 1 1 9 9 HIS HD2 H 1 7.24 . . 1 . . . . . . . . 4434 1 63 . 1 1 10 10 SER N N 15 116.9 . . 1 . . . . . . . . 4434 1 64 . 1 1 10 10 SER H H 1 8.32 . . 1 . . . . . . . . 4434 1 65 . 1 1 10 10 SER CA C 13 58.1 . . 1 . . . . . . . . 4434 1 66 . 1 1 10 10 SER HA H 1 4.40 . . 1 . . . . . . . . 4434 1 67 . 1 1 10 10 SER CB C 13 63.3 . . 1 . . . . . . . . 4434 1 68 . 1 1 10 10 SER HB2 H 1 3.81 . . 1 . . . . . . . . 4434 1 69 . 1 1 10 10 SER HB3 H 1 3.81 . . 1 . . . . . . . . 4434 1 70 . 1 1 11 11 GLN N N 15 122.1 . . 1 . . . . . . . . 4434 1 71 . 1 1 11 11 GLN H H 1 8.48 . . 1 . . . . . . . . 4434 1 72 . 1 1 11 11 GLN CA C 13 55.8 . . 1 . . . . . . . . 4434 1 73 . 1 1 11 11 GLN HA H 1 4.27 . . 1 . . . . . . . . 4434 1 74 . 1 1 11 11 GLN CB C 13 28.9 . . 1 . . . . . . . . 4434 1 75 . 1 1 11 11 GLN HB2 H 1 1.85 . . 2 . . . . . . . . 4434 1 76 . 1 1 11 11 GLN HB3 H 1 1.94 . . 2 . . . . . . . . 4434 1 77 . 1 1 11 11 GLN CG C 13 33.2 . . 1 . . . . . . . . 4434 1 78 . 1 1 11 11 GLN HG2 H 1 2.15 . . 1 . . . . . . . . 4434 1 79 . 1 1 11 11 GLN HG3 H 1 2.15 . . 1 . . . . . . . . 4434 1 80 . 1 1 11 11 GLN NE2 N 15 112.4 . . 1 . . . . . . . . 4434 1 81 . 1 1 11 11 GLN HE21 H 1 7.41 . . 2 . . . . . . . . 4434 1 82 . 1 1 11 11 GLN HE22 H 1 6.83 . . 2 . . . . . . . . 4434 1 83 . 1 1 12 12 TRP N N 15 121.8 . . 1 . . . . . . . . 4434 1 84 . 1 1 12 12 TRP H H 1 8.13 . . 1 . . . . . . . . 4434 1 85 . 1 1 12 12 TRP CA C 13 56.8 . . 1 . . . . . . . . 4434 1 86 . 1 1 12 12 TRP HA H 1 4.66 . . 1 . . . . . . . . 4434 1 87 . 1 1 12 12 TRP CB C 13 29.4 . . 1 . . . . . . . . 4434 1 88 . 1 1 12 12 TRP HB2 H 1 3.29 . . 2 . . . . . . . . 4434 1 89 . 1 1 12 12 TRP HB3 H 1 3.18 . . 2 . . . . . . . . 4434 1 90 . 1 1 12 12 TRP CD1 C 13 127.4 . . 1 . . . . . . . . 4434 1 91 . 1 1 12 12 TRP CE3 C 13 121.2 . . 1 . . . . . . . . 4434 1 92 . 1 1 12 12 TRP NE1 N 15 129.2 . . 1 . . . . . . . . 4434 1 93 . 1 1 12 12 TRP HD1 H 1 7.23 . . 1 . . . . . . . . 4434 1 94 . 1 1 12 12 TRP HE3 H 1 7.61 . . 1 . . . . . . . . 4434 1 95 . 1 1 12 12 TRP CZ3 C 13 122.4 . . 1 . . . . . . . . 4434 1 96 . 1 1 12 12 TRP CZ2 C 13 114.9 . . 1 . . . . . . . . 4434 1 97 . 1 1 12 12 TRP HE1 H 1 10.10 . . 1 . . . . . . . . 4434 1 98 . 1 1 12 12 TRP HZ3 H 1 7.13 . . 1 . . . . . . . . 4434 1 99 . 1 1 12 12 TRP CH2 C 13 125.0 . . 1 . . . . . . . . 4434 1 100 . 1 1 12 12 TRP HZ2 H 1 7.45 . . 1 . . . . . . . . 4434 1 101 . 1 1 12 12 TRP HH2 H 1 7.21 . . 1 . . . . . . . . 4434 1 102 . 1 1 13 13 ASN N N 15 120.6 . . 1 . . . . . . . . 4434 1 103 . 1 1 13 13 ASN H H 1 8.12 . . 1 . . . . . . . . 4434 1 104 . 1 1 13 13 ASN CA C 13 52.4 . . 1 . . . . . . . . 4434 1 105 . 1 1 13 13 ASN HA H 1 4.58 . . 1 . . . . . . . . 4434 1 106 . 1 1 13 13 ASN CB C 13 38.6 . . 1 . . . . . . . . 4434 1 107 . 1 1 13 13 ASN HB2 H 1 2.53 . . 1 . . . . . . . . 4434 1 108 . 1 1 13 13 ASN HB3 H 1 2.53 . . 1 . . . . . . . . 4434 1 109 . 1 1 13 13 ASN ND2 N 15 111.7 . . 1 . . . . . . . . 4434 1 110 . 1 1 13 13 ASN HD21 H 1 7.47 . . 2 . . . . . . . . 4434 1 111 . 1 1 13 13 ASN HD22 H 1 6.84 . . 2 . . . . . . . . 4434 1 112 . 1 1 14 14 LYS N N 15 122.6 . . 1 . . . . . . . . 4434 1 113 . 1 1 14 14 LYS H H 1 8.00 . . 1 . . . . . . . . 4434 1 114 . 1 1 14 14 LYS CA C 13 53.9 . . 1 . . . . . . . . 4434 1 115 . 1 1 14 14 LYS HA H 1 4.42 . . 1 . . . . . . . . 4434 1 116 . 1 1 14 14 LYS CB C 13 32.3 . . 1 . . . . . . . . 4434 1 117 . 1 1 14 14 LYS HB2 H 1 1.74 . . 2 . . . . . . . . 4434 1 118 . 1 1 14 14 LYS HB3 H 1 1.62 . . 2 . . . . . . . . 4434 1 119 . 1 1 14 14 LYS CG C 13 24.4 . . 1 . . . . . . . . 4434 1 120 . 1 1 14 14 LYS HG2 H 1 1.35 . . 1 . . . . . . . . 4434 1 121 . 1 1 14 14 LYS HG3 H 1 1.35 . . 1 . . . . . . . . 4434 1 122 . 1 1 14 14 LYS CD C 13 29.1 . . 1 . . . . . . . . 4434 1 123 . 1 1 14 14 LYS HD2 H 1 1.65 . . 1 . . . . . . . . 4434 1 124 . 1 1 14 14 LYS HD3 H 1 1.65 . . 1 . . . . . . . . 4434 1 125 . 1 1 14 14 LYS CE C 13 41.7 . . 1 . . . . . . . . 4434 1 126 . 1 1 14 14 LYS HE2 H 1 2.91 . . 1 . . . . . . . . 4434 1 127 . 1 1 14 14 LYS HE3 H 1 2.91 . . 1 . . . . . . . . 4434 1 128 . 1 1 15 15 PRO CD C 13 50.5 . . 1 . . . . . . . . 4434 1 129 . 1 1 15 15 PRO CA C 13 63.1 . . 1 . . . . . . . . 4434 1 130 . 1 1 15 15 PRO HA H 1 4.41 . . 1 . . . . . . . . 4434 1 131 . 1 1 15 15 PRO CB C 13 32.1 . . 1 . . . . . . . . 4434 1 132 . 1 1 15 15 PRO HB2 H 1 2.29 . . 2 . . . . . . . . 4434 1 133 . 1 1 15 15 PRO HB3 H 1 1.90 . . 2 . . . . . . . . 4434 1 134 . 1 1 15 15 PRO CG C 13 27.2 . . 1 . . . . . . . . 4434 1 135 . 1 1 15 15 PRO HG2 H 1 1.98 . . 1 . . . . . . . . 4434 1 136 . 1 1 15 15 PRO HG3 H 1 1.98 . . 1 . . . . . . . . 4434 1 137 . 1 1 15 15 PRO HD2 H 1 3.76 . . 2 . . . . . . . . 4434 1 138 . 1 1 15 15 PRO HD3 H 1 3.62 . . 2 . . . . . . . . 4434 1 139 . 1 1 16 16 SER N N 15 116.8 . . 1 . . . . . . . . 4434 1 140 . 1 1 16 16 SER H H 1 8.43 . . 1 . . . . . . . . 4434 1 141 . 1 1 16 16 SER CA C 13 57.7 . . 1 . . . . . . . . 4434 1 142 . 1 1 16 16 SER HA H 1 4.40 . . 1 . . . . . . . . 4434 1 143 . 1 1 16 16 SER CB C 13 63.7 . . 1 . . . . . . . . 4434 1 144 . 1 1 16 16 SER HB2 H 1 3.82 . . 1 . . . . . . . . 4434 1 145 . 1 1 16 16 SER HB3 H 1 3.82 . . 1 . . . . . . . . 4434 1 146 . 1 1 17 17 LYS N N 15 124.1 . . 1 . . . . . . . . 4434 1 147 . 1 1 17 17 LYS H H 1 8.34 . . 1 . . . . . . . . 4434 1 148 . 1 1 17 17 LYS CA C 13 54.1 . . 1 . . . . . . . . 4434 1 149 . 1 1 17 17 LYS HA H 1 4.62 . . 1 . . . . . . . . 4434 1 150 . 1 1 17 17 LYS CB C 13 32.3 . . 1 . . . . . . . . 4434 1 151 . 1 1 17 17 LYS HB2 H 1 1.72 . . 2 . . . . . . . . 4434 1 152 . 1 1 17 17 LYS HB3 H 1 1.81 . . 2 . . . . . . . . 4434 1 153 . 1 1 17 17 LYS CG C 13 24.7 . . 1 . . . . . . . . 4434 1 154 . 1 1 17 17 LYS HG2 H 1 1.45 . . 1 . . . . . . . . 4434 1 155 . 1 1 17 17 LYS HG3 H 1 1.45 . . 1 . . . . . . . . 4434 1 156 . 1 1 17 17 LYS CD C 13 29.1 . . 1 . . . . . . . . 4434 1 157 . 1 1 17 17 LYS HD2 H 1 1.60 . . 1 . . . . . . . . 4434 1 158 . 1 1 17 17 LYS HD3 H 1 1.60 . . 1 . . . . . . . . 4434 1 159 . 1 1 17 17 LYS CE C 13 41.9 . . 1 . . . . . . . . 4434 1 160 . 1 1 17 17 LYS HE2 H 1 2.89 . . 1 . . . . . . . . 4434 1 161 . 1 1 17 17 LYS HE3 H 1 2.89 . . 1 . . . . . . . . 4434 1 162 . 1 1 18 18 PRO CD C 13 50.7 . . 1 . . . . . . . . 4434 1 163 . 1 1 18 18 PRO CA C 13 63.4 . . 1 . . . . . . . . 4434 1 164 . 1 1 18 18 PRO HA H 1 4.37 . . 1 . . . . . . . . 4434 1 165 . 1 1 18 18 PRO CB C 13 32.1 . . 1 . . . . . . . . 4434 1 166 . 1 1 18 18 PRO HB2 H 1 2.28 . . 2 . . . . . . . . 4434 1 167 . 1 1 18 18 PRO HB3 H 1 1.94 . . 2 . . . . . . . . 4434 1 168 . 1 1 18 18 PRO CG C 13 27.2 . . 1 . . . . . . . . 4434 1 169 . 1 1 18 18 PRO HG2 H 1 2.01 . . 1 . . . . . . . . 4434 1 170 . 1 1 18 18 PRO HG3 H 1 2.01 . . 1 . . . . . . . . 4434 1 171 . 1 1 18 18 PRO HD2 H 1 3.80 . . 2 . . . . . . . . 4434 1 172 . 1 1 18 18 PRO HD3 H 1 3.62 . . 2 . . . . . . . . 4434 1 173 . 1 1 19 19 LYS N N 15 122.0 . . 1 . . . . . . . . 4434 1 174 . 1 1 19 19 LYS H H 1 8.53 . . 1 . . . . . . . . 4434 1 175 . 1 1 19 19 LYS CA C 13 54.1 . . 1 . . . . . . . . 4434 1 176 . 1 1 19 19 LYS HA H 1 4.62 . . 1 . . . . . . . . 4434 1 177 . 1 1 19 19 LYS CB C 13 32.7 . . 1 . . . . . . . . 4434 1 178 . 1 1 19 19 LYS HB2 H 1 1.82 . . 2 . . . . . . . . 4434 1 179 . 1 1 19 19 LYS HB3 H 1 1.72 . . 2 . . . . . . . . 4434 1 180 . 1 1 19 19 LYS CG C 13 25.0 . . 1 . . . . . . . . 4434 1 181 . 1 1 19 19 LYS HG2 H 1 1.44 . . 1 . . . . . . . . 4434 1 182 . 1 1 19 19 LYS HG3 H 1 1.44 . . 1 . . . . . . . . 4434 1 183 . 1 1 19 19 LYS CD C 13 29.1 . . 1 . . . . . . . . 4434 1 184 . 1 1 19 19 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 4434 1 185 . 1 1 19 19 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 4434 1 186 . 1 1 19 19 LYS CE C 13 41.7 . . 1 . . . . . . . . 4434 1 187 . 1 1 19 19 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 4434 1 188 . 1 1 19 19 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 4434 1 189 . 1 1 20 20 THR N N 15 115.2 . . 1 . . . . . . . . 4434 1 190 . 1 1 20 20 THR H H 1 8.14 . . 1 . . . . . . . . 4434 1 191 . 1 1 20 20 THR CA C 13 61.2 . . 1 . . . . . . . . 4434 1 192 . 1 1 20 20 THR HA H 1 4.31 . . 1 . . . . . . . . 4434 1 193 . 1 1 20 20 THR CB C 13 69.5 . . 1 . . . . . . . . 4434 1 194 . 1 1 20 20 THR HB H 1 4.15 . . 1 . . . . . . . . 4434 1 195 . 1 1 20 20 THR HG21 H 1 1.16 . . 1 . . . . . . . . 4434 1 196 . 1 1 20 20 THR HG22 H 1 1.16 . . 1 . . . . . . . . 4434 1 197 . 1 1 20 20 THR HG23 H 1 1.16 . . 1 . . . . . . . . 4434 1 198 . 1 1 20 20 THR CG2 C 13 21.5 . . 1 . . . . . . . . 4434 1 199 . 1 1 21 21 ASN N N 15 121.3 . . 1 . . . . . . . . 4434 1 200 . 1 1 21 21 ASN H H 1 8.55 . . 1 . . . . . . . . 4434 1 201 . 1 1 21 21 ASN CA C 13 52.7 . . 1 . . . . . . . . 4434 1 202 . 1 1 21 21 ASN HA H 1 4.78 . . 1 . . . . . . . . 4434 1 203 . 1 1 21 21 ASN CB C 13 38.5 . . 1 . . . . . . . . 4434 1 204 . 1 1 21 21 ASN HB2 H 1 2.85 . . 2 . . . . . . . . 4434 1 205 . 1 1 21 21 ASN HB3 H 1 2.75 . . 2 . . . . . . . . 4434 1 206 . 1 1 21 21 ASN ND2 N 15 111.9 . . 1 . . . . . . . . 4434 1 207 . 1 1 21 21 ASN HD21 H 1 7.59 . . 2 . . . . . . . . 4434 1 208 . 1 1 21 21 ASN HD22 H 1 6.90 . . 2 . . . . . . . . 4434 1 209 . 1 1 22 22 MET N N 15 121.3 . . 1 . . . . . . . . 4434 1 210 . 1 1 22 22 MET H H 1 8.35 . . 1 . . . . . . . . 4434 1 211 . 1 1 22 22 MET CA C 13 55.4 . . 1 . . . . . . . . 4434 1 212 . 1 1 22 22 MET HA H 1 4.43 . . 1 . . . . . . . . 4434 1 213 . 1 1 22 22 MET CB C 13 32.6 . . 1 . . . . . . . . 4434 1 214 . 1 1 22 22 MET HB2 H 1 2.05 . . 2 . . . . . . . . 4434 1 215 . 1 1 22 22 MET HB3 H 1 1.95 . . 2 . . . . . . . . 4434 1 216 . 1 1 22 22 MET CG C 13 31.9 . . 1 . . . . . . . . 4434 1 217 . 1 1 22 22 MET HG2 H 1 2.56 . . 2 . . . . . . . . 4434 1 218 . 1 1 22 22 MET HG3 H 1 2.50 . . 2 . . . . . . . . 4434 1 219 . 1 1 22 22 MET HE1 H 1 2.15 . . 1 . . . . . . . . 4434 1 220 . 1 1 22 22 MET HE2 H 1 2.15 . . 1 . . . . . . . . 4434 1 221 . 1 1 22 22 MET HE3 H 1 2.15 . . 1 . . . . . . . . 4434 1 222 . 1 1 22 22 MET CE C 13 15.5 . . 1 . . . . . . . . 4434 1 223 . 1 1 23 23 LYS N N 15 122.2 . . 1 . . . . . . . . 4434 1 224 . 1 1 23 23 LYS H H 1 8.30 . . 1 . . . . . . . . 4434 1 225 . 1 1 23 23 LYS CA C 13 55.9 . . 1 . . . . . . . . 4434 1 226 . 1 1 23 23 LYS HA H 1 4.22 . . 1 . . . . . . . . 4434 1 227 . 1 1 23 23 LYS CB C 13 32.8 . . 1 . . . . . . . . 4434 1 228 . 1 1 23 23 LYS HB2 H 1 1.72 . . 1 . . . . . . . . 4434 1 229 . 1 1 23 23 LYS HB3 H 1 1.72 . . 1 . . . . . . . . 4434 1 230 . 1 1 23 23 LYS CG C 13 24.7 . . 1 . . . . . . . . 4434 1 231 . 1 1 23 23 LYS HG2 H 1 1.35 . . 1 . . . . . . . . 4434 1 232 . 1 1 23 23 LYS HG3 H 1 1.35 . . 1 . . . . . . . . 4434 1 233 . 1 1 23 23 LYS CD C 13 29.1 . . 1 . . . . . . . . 4434 1 234 . 1 1 23 23 LYS HD2 H 1 1.61 . . 1 . . . . . . . . 4434 1 235 . 1 1 23 23 LYS HD3 H 1 1.61 . . 1 . . . . . . . . 4434 1 236 . 1 1 23 23 LYS CE C 13 41.9 . . 1 . . . . . . . . 4434 1 237 . 1 1 23 23 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 4434 1 238 . 1 1 23 23 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 4434 1 239 . 1 1 24 24 HIS N N 15 119.7 . . 1 . . . . . . . . 4434 1 240 . 1 1 24 24 HIS H H 1 8.52 . . 1 . . . . . . . . 4434 1 241 . 1 1 24 24 HIS CA C 13 55.0 . . 1 . . . . . . . . 4434 1 242 . 1 1 24 24 HIS HA H 1 4.66 . . 1 . . . . . . . . 4434 1 243 . 1 1 24 24 HIS CB C 13 28.8 . . 1 . . . . . . . . 4434 1 244 . 1 1 24 24 HIS HB2 H 1 3.23 . . 2 . . . . . . . . 4434 1 245 . 1 1 24 24 HIS HB3 H 1 3.13 . . 2 . . . . . . . . 4434 1 246 . 1 1 24 24 HIS CD2 C 13 120.2 . . 1 . . . . . . . . 4434 1 247 . 1 1 24 24 HIS HD2 H 1 7.22 . . 1 . . . . . . . . 4434 1 248 . 1 1 25 25 MET N N 15 122.7 . . 1 . . . . . . . . 4434 1 249 . 1 1 25 25 MET H H 1 8.44 . . 1 . . . . . . . . 4434 1 250 . 1 1 25 25 MET CA C 13 55.0 . . 1 . . . . . . . . 4434 1 251 . 1 1 25 25 MET HA H 1 4.45 . . 1 . . . . . . . . 4434 1 252 . 1 1 25 25 MET CB C 13 32.4 . . 1 . . . . . . . . 4434 1 253 . 1 1 25 25 MET HB2 H 1 2.04 . . 2 . . . . . . . . 4434 1 254 . 1 1 25 25 MET HB3 H 1 1.94 . . 2 . . . . . . . . 4434 1 255 . 1 1 25 25 MET CG C 13 31.9 . . 1 . . . . . . . . 4434 1 256 . 1 1 25 25 MET HG2 H 1 2.55 . . 2 . . . . . . . . 4434 1 257 . 1 1 25 25 MET HG3 H 1 2.48 . . 2 . . . . . . . . 4434 1 258 . 1 1 25 25 MET HE1 H 1 2.14 . . 1 . . . . . . . . 4434 1 259 . 1 1 25 25 MET HE2 H 1 2.14 . . 1 . . . . . . . . 4434 1 260 . 1 1 25 25 MET HE3 H 1 2.14 . . 1 . . . . . . . . 4434 1 261 . 1 1 25 25 MET CE C 13 15.5 . . 1 . . . . . . . . 4434 1 262 . 1 1 26 26 ALA N N 15 125.8 . . 1 . . . . . . . . 4434 1 263 . 1 1 26 26 ALA H H 1 8.45 . . 1 . . . . . . . . 4434 1 264 . 1 1 26 26 ALA CA C 13 52.4 . . 1 . . . . . . . . 4434 1 265 . 1 1 26 26 ALA HA H 1 4.29 . . 1 . . . . . . . . 4434 1 266 . 1 1 26 26 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 4434 1 267 . 1 1 26 26 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 4434 1 268 . 1 1 26 26 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 4434 1 269 . 1 1 26 26 ALA CB C 13 19.2 . . 1 . . . . . . . . 4434 1 270 . 1 1 27 27 GLY N N 15 108.4 . . 1 . . . . . . . . 4434 1 271 . 1 1 27 27 GLY H H 1 8.40 . . 1 . . . . . . . . 4434 1 272 . 1 1 27 27 GLY CA C 13 45.0 . . 1 . . . . . . . . 4434 1 273 . 1 1 27 27 GLY HA2 H 1 3.87 . . 1 . . . . . . . . 4434 1 274 . 1 1 27 27 GLY HA3 H 1 3.87 . . 1 . . . . . . . . 4434 1 275 . 1 1 28 28 ALA N N 15 123.8 . . 1 . . . . . . . . 4434 1 276 . 1 1 28 28 ALA H H 1 8.16 . . 1 . . . . . . . . 4434 1 277 . 1 1 28 28 ALA CA C 13 52.0 . . 1 . . . . . . . . 4434 1 278 . 1 1 28 28 ALA HA H 1 4.26 . . 1 . . . . . . . . 4434 1 279 . 1 1 28 28 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 4434 1 280 . 1 1 28 28 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 4434 1 281 . 1 1 28 28 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 4434 1 282 . 1 1 28 28 ALA CB C 13 19.1 . . 1 . . . . . . . . 4434 1 283 . 1 1 29 29 ALA N N 15 123.3 . . 1 . . . . . . . . 4434 1 284 . 1 1 29 29 ALA H H 1 8.21 . . 1 . . . . . . . . 4434 1 285 . 1 1 29 29 ALA CA C 13 52.0 . . 1 . . . . . . . . 4434 1 286 . 1 1 29 29 ALA HA H 1 4.28 . . 1 . . . . . . . . 4434 1 287 . 1 1 29 29 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 4434 1 288 . 1 1 29 29 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 4434 1 289 . 1 1 29 29 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 4434 1 290 . 1 1 29 29 ALA CB C 13 18.8 . . 1 . . . . . . . . 4434 1 291 . 1 1 30 30 ALA N N 15 123.2 . . 1 . . . . . . . . 4434 1 292 . 1 1 30 30 ALA H H 1 8.29 . . 1 . . . . . . . . 4434 1 293 . 1 1 30 30 ALA CA C 13 52.0 . . 1 . . . . . . . . 4434 1 294 . 1 1 30 30 ALA HA H 1 4.27 . . 1 . . . . . . . . 4434 1 295 . 1 1 30 30 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 4434 1 296 . 1 1 30 30 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 4434 1 297 . 1 1 30 30 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 4434 1 298 . 1 1 30 30 ALA CB C 13 19.1 . . 1 . . . . . . . . 4434 1 299 . 1 1 31 31 ALA N N 15 123.3 . . 1 . . . . . . . . 4434 1 300 . 1 1 31 31 ALA H H 1 8.24 . . 1 . . . . . . . . 4434 1 301 . 1 1 31 31 ALA CA C 13 52.4 . . 1 . . . . . . . . 4434 1 302 . 1 1 31 31 ALA HA H 1 4.27 . . 1 . . . . . . . . 4434 1 303 . 1 1 31 31 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 4434 1 304 . 1 1 31 31 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 4434 1 305 . 1 1 31 31 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 4434 1 306 . 1 1 31 31 ALA CB C 13 18.7 . . 1 . . . . . . . . 4434 1 307 . 1 1 32 32 GLY N N 15 107.8 . . 1 . . . . . . . . 4434 1 308 . 1 1 32 32 GLY H H 1 8.28 . . 1 . . . . . . . . 4434 1 309 . 1 1 32 32 GLY CA C 13 45.0 . . 1 . . . . . . . . 4434 1 310 . 1 1 32 32 GLY HA2 H 1 3.87 . . 1 . . . . . . . . 4434 1 311 . 1 1 32 32 GLY HA3 H 1 3.87 . . 1 . . . . . . . . 4434 1 312 . 1 1 33 33 ALA N N 15 123.5 . . 1 . . . . . . . . 4434 1 313 . 1 1 33 33 ALA H H 1 8.07 . . 1 . . . . . . . . 4434 1 314 . 1 1 33 33 ALA CA C 13 52.1 . . 1 . . . . . . . . 4434 1 315 . 1 1 33 33 ALA HA H 1 4.35 . . 1 . . . . . . . . 4434 1 316 . 1 1 33 33 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 4434 1 317 . 1 1 33 33 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 4434 1 318 . 1 1 33 33 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 4434 1 319 . 1 1 33 33 ALA CB C 13 19.2 . . 1 . . . . . . . . 4434 1 320 . 1 1 34 34 VAL N N 15 119.7 . . 1 . . . . . . . . 4434 1 321 . 1 1 34 34 VAL H H 1 8.14 . . 1 . . . . . . . . 4434 1 322 . 1 1 34 34 VAL CA C 13 61.9 . . 1 . . . . . . . . 4434 1 323 . 1 1 34 34 VAL HA H 1 4.12 . . 1 . . . . . . . . 4434 1 324 . 1 1 34 34 VAL CB C 13 32.5 . . 1 . . . . . . . . 4434 1 325 . 1 1 34 34 VAL HB H 1 1.98 . . 1 . . . . . . . . 4434 1 326 . 1 1 34 34 VAL HG11 H 1 0.88 . . 2 . . . . . . . . 4434 1 327 . 1 1 34 34 VAL HG12 H 1 0.88 . . 2 . . . . . . . . 4434 1 328 . 1 1 34 34 VAL HG13 H 1 0.88 . . 2 . . . . . . . . 4434 1 329 . 1 1 34 34 VAL HG21 H 1 0.84 . . 2 . . . . . . . . 4434 1 330 . 1 1 34 34 VAL HG22 H 1 0.84 . . 2 . . . . . . . . 4434 1 331 . 1 1 34 34 VAL HG23 H 1 0.84 . . 2 . . . . . . . . 4434 1 332 . 1 1 34 34 VAL CG1 C 13 21.0 . . 1 . . . . . . . . 4434 1 333 . 1 1 34 34 VAL CG2 C 13 20.6 . . 1 . . . . . . . . 4434 1 334 . 1 1 35 35 VAL N N 15 125.0 . . 1 . . . . . . . . 4434 1 335 . 1 1 35 35 VAL H H 1 8.28 . . 1 . . . . . . . . 4434 1 336 . 1 1 35 35 VAL CA C 13 62.2 . . 1 . . . . . . . . 4434 1 337 . 1 1 35 35 VAL HA H 1 4.07 . . 1 . . . . . . . . 4434 1 338 . 1 1 35 35 VAL CB C 13 32.4 . . 1 . . . . . . . . 4434 1 339 . 1 1 35 35 VAL HB H 1 2.00 . . 1 . . . . . . . . 4434 1 340 . 1 1 35 35 VAL HG11 H 1 0.88 . . 1 . . . . . . . . 4434 1 341 . 1 1 35 35 VAL HG12 H 1 0.88 . . 1 . . . . . . . . 4434 1 342 . 1 1 35 35 VAL HG13 H 1 0.88 . . 1 . . . . . . . . 4434 1 343 . 1 1 35 35 VAL HG21 H 1 0.88 . . 1 . . . . . . . . 4434 1 344 . 1 1 35 35 VAL HG22 H 1 0.88 . . 1 . . . . . . . . 4434 1 345 . 1 1 35 35 VAL HG23 H 1 0.88 . . 1 . . . . . . . . 4434 1 346 . 1 1 35 35 VAL CG1 C 13 20.5 . . 1 . . . . . . . . 4434 1 347 . 1 1 35 35 VAL CG2 C 13 20.9 . . 1 . . . . . . . . 4434 1 348 . 1 1 36 36 GLY N N 15 113.5 . . 1 . . . . . . . . 4434 1 349 . 1 1 36 36 GLY H H 1 8.58 . . 1 . . . . . . . . 4434 1 350 . 1 1 36 36 GLY CA C 13 45.2 . . 1 . . . . . . . . 4434 1 351 . 1 1 36 36 GLY HA2 H 1 3.94 . . 1 . . . . . . . . 4434 1 352 . 1 1 36 36 GLY HA3 H 1 3.94 . . 1 . . . . . . . . 4434 1 353 . 1 1 37 37 GLY N N 15 108.5 . . 1 . . . . . . . . 4434 1 354 . 1 1 37 37 GLY H H 1 8.27 . . 1 . . . . . . . . 4434 1 355 . 1 1 37 37 GLY CA C 13 45.0 . . 1 . . . . . . . . 4434 1 356 . 1 1 37 37 GLY HA2 H 1 3.92 . . 1 . . . . . . . . 4434 1 357 . 1 1 37 37 GLY HA3 H 1 3.92 . . 1 . . . . . . . . 4434 1 358 . 1 1 38 38 LEU N N 15 121.8 . . 1 . . . . . . . . 4434 1 359 . 1 1 38 38 LEU H H 1 8.22 . . 1 . . . . . . . . 4434 1 360 . 1 1 38 38 LEU CA C 13 54.7 . . 1 . . . . . . . . 4434 1 361 . 1 1 38 38 LEU HA H 1 4.36 . . 1 . . . . . . . . 4434 1 362 . 1 1 38 38 LEU CB C 13 42.4 . . 1 . . . . . . . . 4434 1 363 . 1 1 38 38 LEU HB2 H 1 1.53 . . 2 . . . . . . . . 4434 1 364 . 1 1 38 38 LEU HB3 H 1 1.60 . . 2 . . . . . . . . 4434 1 365 . 1 1 38 38 LEU CG C 13 26.8 . . 1 . . . . . . . . 4434 1 366 . 1 1 38 38 LEU HG H 1 1.48 . . 1 . . . . . . . . 4434 1 367 . 1 1 38 38 LEU HD11 H 1 0.67 . . 2 . . . . . . . . 4434 1 368 . 1 1 38 38 LEU HD12 H 1 0.67 . . 2 . . . . . . . . 4434 1 369 . 1 1 38 38 LEU HD13 H 1 0.67 . . 2 . . . . . . . . 4434 1 370 . 1 1 38 38 LEU HD21 H 1 0.56 . . 2 . . . . . . . . 4434 1 371 . 1 1 38 38 LEU HD22 H 1 0.56 . . 2 . . . . . . . . 4434 1 372 . 1 1 38 38 LEU HD23 H 1 0.56 . . 2 . . . . . . . . 4434 1 373 . 1 1 38 38 LEU CD1 C 13 24.5 . . 1 . . . . . . . . 4434 1 374 . 1 1 38 38 LEU CD2 C 13 23.3 . . 1 . . . . . . . . 4434 1 375 . 1 1 39 39 GLY N N 15 109.9 . . 1 . . . . . . . . 4434 1 376 . 1 1 39 39 GLY H H 1 8.52 . . 1 . . . . . . . . 4434 1 377 . 1 1 39 39 GLY CA C 13 45.9 . . 1 . . . . . . . . 4434 1 378 . 1 1 39 39 GLY HA2 H 1 3.83 . . 2 . . . . . . . . 4434 1 379 . 1 1 39 39 GLY HA3 H 1 3.92 . . 2 . . . . . . . . 4434 1 380 . 1 1 40 40 GLY N N 15 108.9 . . 1 . . . . . . . . 4434 1 381 . 1 1 40 40 GLY H H 1 8.33 . . 1 . . . . . . . . 4434 1 382 . 1 1 40 40 GLY CA C 13 44.9 . . 1 . . . . . . . . 4434 1 383 . 1 1 40 40 GLY HA2 H 1 3.72 . . 2 . . . . . . . . 4434 1 384 . 1 1 40 40 GLY HA3 H 1 3.88 . . 2 . . . . . . . . 4434 1 385 . 1 1 41 41 TYR N N 15 117.5 . . 1 . . . . . . . . 4434 1 386 . 1 1 41 41 TYR H H 1 7.72 . . 1 . . . . . . . . 4434 1 387 . 1 1 41 41 TYR CA C 13 57.8 . . 1 . . . . . . . . 4434 1 388 . 1 1 41 41 TYR HA H 1 4.49 . . 1 . . . . . . . . 4434 1 389 . 1 1 41 41 TYR CB C 13 40.1 . . 1 . . . . . . . . 4434 1 390 . 1 1 41 41 TYR HB2 H 1 2.87 . . 2 . . . . . . . . 4434 1 391 . 1 1 41 41 TYR HB3 H 1 2.80 . . 2 . . . . . . . . 4434 1 392 . 1 1 41 41 TYR HD1 H 1 6.80 . . 1 . . . . . . . . 4434 1 393 . 1 1 41 41 TYR HD2 H 1 6.80 . . 1 . . . . . . . . 4434 1 394 . 1 1 41 41 TYR HE1 H 1 6.63 . . 1 . . . . . . . . 4434 1 395 . 1 1 41 41 TYR HE2 H 1 6.63 . . 1 . . . . . . . . 4434 1 396 . 1 1 41 41 TYR CD1 C 13 133.2 . . 1 . . . . . . . . 4434 1 397 . 1 1 41 41 TYR CE1 C 13 118.6 . . 1 . . . . . . . . 4434 1 398 . 1 1 42 42 MET N N 15 120.8 . . 1 . . . . . . . . 4434 1 399 . 1 1 42 42 MET H H 1 9.00 . . 1 . . . . . . . . 4434 1 400 . 1 1 42 42 MET CA C 13 53.5 . . 1 . . . . . . . . 4434 1 401 . 1 1 42 42 MET HA H 1 4.52 . . 1 . . . . . . . . 4434 1 402 . 1 1 42 42 MET CB C 13 34.6 . . 1 . . . . . . . . 4434 1 403 . 1 1 42 42 MET HB2 H 1 0.90 . . 2 . . . . . . . . 4434 1 404 . 1 1 42 42 MET HB3 H 1 1.55 . . 2 . . . . . . . . 4434 1 405 . 1 1 42 42 MET CG C 13 31.9 . . 1 . . . . . . . . 4434 1 406 . 1 1 42 42 MET HG2 H 1 2.20 . . 1 . . . . . . . . 4434 1 407 . 1 1 42 42 MET HG3 H 1 2.20 . . 1 . . . . . . . . 4434 1 408 . 1 1 42 42 MET HE1 H 1 1.98 . . 1 . . . . . . . . 4434 1 409 . 1 1 42 42 MET HE2 H 1 1.98 . . 1 . . . . . . . . 4434 1 410 . 1 1 42 42 MET HE3 H 1 1.98 . . 1 . . . . . . . . 4434 1 411 . 1 1 42 42 MET CE C 13 17.0 . . 1 . . . . . . . . 4434 1 412 . 1 1 43 43 LEU N N 15 121.5 . . 1 . . . . . . . . 4434 1 413 . 1 1 43 43 LEU H H 1 8.10 . . 1 . . . . . . . . 4434 1 414 . 1 1 43 43 LEU CA C 13 53.1 . . 1 . . . . . . . . 4434 1 415 . 1 1 43 43 LEU HA H 1 4.45 . . 1 . . . . . . . . 4434 1 416 . 1 1 43 43 LEU CB C 13 43.3 . . 1 . . . . . . . . 4434 1 417 . 1 1 43 43 LEU HB2 H 1 0.95 . . 2 . . . . . . . . 4434 1 418 . 1 1 43 43 LEU HB3 H 1 1.59 . . 2 . . . . . . . . 4434 1 419 . 1 1 43 43 LEU CG C 13 25.7 . . 1 . . . . . . . . 4434 1 420 . 1 1 43 43 LEU HG H 1 1.35 . . 1 . . . . . . . . 4434 1 421 . 1 1 43 43 LEU HD11 H 1 -0.04 . . 2 . . . . . . . . 4434 1 422 . 1 1 43 43 LEU HD12 H 1 -0.04 . . 2 . . . . . . . . 4434 1 423 . 1 1 43 43 LEU HD13 H 1 -0.04 . . 2 . . . . . . . . 4434 1 424 . 1 1 43 43 LEU HD21 H 1 0.59 . . 2 . . . . . . . . 4434 1 425 . 1 1 43 43 LEU HD22 H 1 0.59 . . 2 . . . . . . . . 4434 1 426 . 1 1 43 43 LEU HD23 H 1 0.59 . . 2 . . . . . . . . 4434 1 427 . 1 1 43 43 LEU CD1 C 13 21.4 . . 1 . . . . . . . . 4434 1 428 . 1 1 43 43 LEU CD2 C 13 25.7 . . 1 . . . . . . . . 4434 1 429 . 1 1 44 44 GLY N N 15 115.0 . . 1 . . . . . . . . 4434 1 430 . 1 1 44 44 GLY H H 1 9.34 . . 1 . . . . . . . . 4434 1 431 . 1 1 44 44 GLY CA C 13 44.6 . . 1 . . . . . . . . 4434 1 432 . 1 1 44 44 GLY HA2 H 1 4.00 . . 2 . . . . . . . . 4434 1 433 . 1 1 44 44 GLY HA3 H 1 4.40 . . 2 . . . . . . . . 4434 1 434 . 1 1 45 45 SER N N 15 113.8 . . 1 . . . . . . . . 4434 1 435 . 1 1 45 45 SER H H 1 8.39 . . 1 . . . . . . . . 4434 1 436 . 1 1 45 45 SER CA C 13 58.3 . . 1 . . . . . . . . 4434 1 437 . 1 1 45 45 SER HA H 1 4.39 . . 1 . . . . . . . . 4434 1 438 . 1 1 45 45 SER CB C 13 63.8 . . 1 . . . . . . . . 4434 1 439 . 1 1 45 45 SER HB2 H 1 3.96 . . 2 . . . . . . . . 4434 1 440 . 1 1 45 45 SER HB3 H 1 3.89 . . 2 . . . . . . . . 4434 1 441 . 1 1 46 46 ALA N N 15 125.6 . . 1 . . . . . . . . 4434 1 442 . 1 1 46 46 ALA H H 1 8.79 . . 1 . . . . . . . . 4434 1 443 . 1 1 46 46 ALA CA C 13 52.8 . . 1 . . . . . . . . 4434 1 444 . 1 1 46 46 ALA HA H 1 4.43 . . 1 . . . . . . . . 4434 1 445 . 1 1 46 46 ALA HB1 H 1 1.26 . . 1 . . . . . . . . 4434 1 446 . 1 1 46 46 ALA HB2 H 1 1.26 . . 1 . . . . . . . . 4434 1 447 . 1 1 46 46 ALA HB3 H 1 1.26 . . 1 . . . . . . . . 4434 1 448 . 1 1 46 46 ALA CB C 13 18.3 . . 1 . . . . . . . . 4434 1 449 . 1 1 47 47 MET N N 15 120.8 . . 1 . . . . . . . . 4434 1 450 . 1 1 47 47 MET H H 1 8.71 . . 1 . . . . . . . . 4434 1 451 . 1 1 47 47 MET CA C 13 53.6 . . 1 . . . . . . . . 4434 1 452 . 1 1 47 47 MET HA H 1 4.73 . . 1 . . . . . . . . 4434 1 453 . 1 1 47 47 MET CB C 13 36.8 . . 1 . . . . . . . . 4434 1 454 . 1 1 47 47 MET HB2 H 1 2.00 . . 1 . . . . . . . . 4434 1 455 . 1 1 47 47 MET HB3 H 1 2.00 . . 1 . . . . . . . . 4434 1 456 . 1 1 47 47 MET CG C 13 30.9 . . 1 . . . . . . . . 4434 1 457 . 1 1 47 47 MET HG2 H 1 2.44 . . 2 . . . . . . . . 4434 1 458 . 1 1 47 47 MET HG3 H 1 2.39 . . 2 . . . . . . . . 4434 1 459 . 1 1 47 47 MET HE1 H 1 2.14 . . 1 . . . . . . . . 4434 1 460 . 1 1 47 47 MET HE2 H 1 2.14 . . 1 . . . . . . . . 4434 1 461 . 1 1 47 47 MET HE3 H 1 2.14 . . 1 . . . . . . . . 4434 1 462 . 1 1 47 47 MET CE C 13 17.5 . . 1 . . . . . . . . 4434 1 463 . 1 1 48 48 SER N N 15 116.3 . . 1 . . . . . . . . 4434 1 464 . 1 1 48 48 SER H H 1 8.45 . . 1 . . . . . . . . 4434 1 465 . 1 1 48 48 SER CA C 13 58.4 . . 1 . . . . . . . . 4434 1 466 . 1 1 48 48 SER HA H 1 4.32 . . 1 . . . . . . . . 4434 1 467 . 1 1 48 48 SER CB C 13 62.8 . . 1 . . . . . . . . 4434 1 468 . 1 1 48 48 SER HB2 H 1 3.80 . . 2 . . . . . . . . 4434 1 469 . 1 1 48 48 SER HB3 H 1 3.72 . . 2 . . . . . . . . 4434 1 470 . 1 1 49 49 ARG N N 15 126.5 . . 1 . . . . . . . . 4434 1 471 . 1 1 49 49 ARG H H 1 8.65 . . 1 . . . . . . . . 4434 1 472 . 1 1 49 49 ARG CA C 13 54.7 . . 1 . . . . . . . . 4434 1 473 . 1 1 49 49 ARG HA H 1 4.38 . . 1 . . . . . . . . 4434 1 474 . 1 1 49 49 ARG CB C 13 29.2 . . 1 . . . . . . . . 4434 1 475 . 1 1 49 49 ARG HB2 H 1 1.70 . . 1 . . . . . . . . 4434 1 476 . 1 1 49 49 ARG HB3 H 1 1.70 . . 1 . . . . . . . . 4434 1 477 . 1 1 49 49 ARG CG C 13 28.6 . . 1 . . . . . . . . 4434 1 478 . 1 1 49 49 ARG HG2 H 1 1.85 . . 2 . . . . . . . . 4434 1 479 . 1 1 49 49 ARG HG3 H 1 1.80 . . 2 . . . . . . . . 4434 1 480 . 1 1 49 49 ARG CD C 13 43.6 . . 1 . . . . . . . . 4434 1 481 . 1 1 49 49 ARG HD2 H 1 3.12 . . 2 . . . . . . . . 4434 1 482 . 1 1 49 49 ARG HD3 H 1 3.03 . . 2 . . . . . . . . 4434 1 483 . 1 1 49 49 ARG NE N 15 85.9 . . 1 . . . . . . . . 4434 1 484 . 1 1 49 49 ARG HE H 1 6.71 . . 1 . . . . . . . . 4434 1 485 . 1 1 50 50 PRO CD C 13 50.5 . . 1 . . . . . . . . 4434 1 486 . 1 1 50 50 PRO CA C 13 62.2 . . 1 . . . . . . . . 4434 1 487 . 1 1 50 50 PRO HA H 1 4.41 . . 1 . . . . . . . . 4434 1 488 . 1 1 50 50 PRO CB C 13 32.2 . . 1 . . . . . . . . 4434 1 489 . 1 1 50 50 PRO HB2 H 1 1.74 . . 2 . . . . . . . . 4434 1 490 . 1 1 50 50 PRO HB3 H 1 2.24 . . 2 . . . . . . . . 4434 1 491 . 1 1 50 50 PRO CG C 13 27.2 . . 1 . . . . . . . . 4434 1 492 . 1 1 50 50 PRO HG2 H 1 2.02 . . 2 . . . . . . . . 4434 1 493 . 1 1 50 50 PRO HG3 H 1 1.96 . . 2 . . . . . . . . 4434 1 494 . 1 1 50 50 PRO HD2 H 1 3.61 . . 2 . . . . . . . . 4434 1 495 . 1 1 50 50 PRO HD3 H 1 3.91 . . 2 . . . . . . . . 4434 1 496 . 1 1 51 51 ILE N N 15 122.5 . . 1 . . . . . . . . 4434 1 497 . 1 1 51 51 ILE H H 1 8.65 . . 1 . . . . . . . . 4434 1 498 . 1 1 51 51 ILE CA C 13 60.8 . . 1 . . . . . . . . 4434 1 499 . 1 1 51 51 ILE HA H 1 4.12 . . 1 . . . . . . . . 4434 1 500 . 1 1 51 51 ILE CB C 13 36.1 . . 1 . . . . . . . . 4434 1 501 . 1 1 51 51 ILE HB H 1 1.89 . . 1 . . . . . . . . 4434 1 502 . 1 1 51 51 ILE HG21 H 1 0.70 . . 1 . . . . . . . . 4434 1 503 . 1 1 51 51 ILE HG22 H 1 0.70 . . 1 . . . . . . . . 4434 1 504 . 1 1 51 51 ILE HG23 H 1 0.70 . . 1 . . . . . . . . 4434 1 505 . 1 1 51 51 ILE CG2 C 13 17.2 . . 1 . . . . . . . . 4434 1 506 . 1 1 51 51 ILE CG1 C 13 27.0 . . 1 . . . . . . . . 4434 1 507 . 1 1 51 51 ILE HG12 H 1 1.56 . . 2 . . . . . . . . 4434 1 508 . 1 1 51 51 ILE HG13 H 1 1.37 . . 2 . . . . . . . . 4434 1 509 . 1 1 51 51 ILE HD11 H 1 0.87 . . 1 . . . . . . . . 4434 1 510 . 1 1 51 51 ILE HD12 H 1 0.87 . . 1 . . . . . . . . 4434 1 511 . 1 1 51 51 ILE HD13 H 1 0.87 . . 1 . . . . . . . . 4434 1 512 . 1 1 51 51 ILE CD1 C 13 11.0 . . 1 . . . . . . . . 4434 1 513 . 1 1 52 52 ILE N N 15 126.9 . . 1 . . . . . . . . 4434 1 514 . 1 1 52 52 ILE H H 1 6.45 . . 1 . . . . . . . . 4434 1 515 . 1 1 52 52 ILE CA C 13 58.6 . . 1 . . . . . . . . 4434 1 516 . 1 1 52 52 ILE HA H 1 3.90 . . 1 . . . . . . . . 4434 1 517 . 1 1 52 52 ILE CB C 13 39.2 . . 1 . . . . . . . . 4434 1 518 . 1 1 52 52 ILE HB H 1 0.82 . . 1 . . . . . . . . 4434 1 519 . 1 1 52 52 ILE HG21 H 1 -0.07 . . 1 . . . . . . . . 4434 1 520 . 1 1 52 52 ILE HG22 H 1 -0.07 . . 1 . . . . . . . . 4434 1 521 . 1 1 52 52 ILE HG23 H 1 -0.07 . . 1 . . . . . . . . 4434 1 522 . 1 1 52 52 ILE CG2 C 13 17.0 . . 1 . . . . . . . . 4434 1 523 . 1 1 52 52 ILE CG1 C 13 26.5 . . 1 . . . . . . . . 4434 1 524 . 1 1 52 52 ILE HG12 H 1 0.89 . . 2 . . . . . . . . 4434 1 525 . 1 1 52 52 ILE HG13 H 1 0.76 . . 2 . . . . . . . . 4434 1 526 . 1 1 52 52 ILE HD11 H 1 0.45 . . 1 . . . . . . . . 4434 1 527 . 1 1 52 52 ILE HD12 H 1 0.45 . . 1 . . . . . . . . 4434 1 528 . 1 1 52 52 ILE HD13 H 1 0.45 . . 1 . . . . . . . . 4434 1 529 . 1 1 52 52 ILE CD1 C 13 12.4 . . 1 . . . . . . . . 4434 1 530 . 1 1 53 53 HIS N N 15 122.0 . . 1 . . . . . . . . 4434 1 531 . 1 1 53 53 HIS H H 1 8.25 . . 1 . . . . . . . . 4434 1 532 . 1 1 53 53 HIS CA C 13 53.8 . . 1 . . . . . . . . 4434 1 533 . 1 1 53 53 HIS HA H 1 4.90 . . 1 . . . . . . . . 4434 1 534 . 1 1 53 53 HIS CB C 13 29.2 . . 1 . . . . . . . . 4434 1 535 . 1 1 53 53 HIS HB2 H 1 2.92 . . 2 . . . . . . . . 4434 1 536 . 1 1 53 53 HIS HB3 H 1 3.29 . . 2 . . . . . . . . 4434 1 537 . 1 1 53 53 HIS CD2 C 13 120.4 . . 1 . . . . . . . . 4434 1 538 . 1 1 53 53 HIS CE1 C 13 136.8 . . 1 . . . . . . . . 4434 1 539 . 1 1 53 53 HIS HD2 H 1 7.23 . . 1 . . . . . . . . 4434 1 540 . 1 1 53 53 HIS HE1 H 1 8.58 . . 1 . . . . . . . . 4434 1 541 . 1 1 54 54 PHE N N 15 124.0 . . 1 . . . . . . . . 4434 1 542 . 1 1 54 54 PHE H H 1 10.21 . . 1 . . . . . . . . 4434 1 543 . 1 1 54 54 PHE CA C 13 59.2 . . 1 . . . . . . . . 4434 1 544 . 1 1 54 54 PHE HA H 1 4.34 . . 1 . . . . . . . . 4434 1 545 . 1 1 54 54 PHE CB C 13 41.4 . . 1 . . . . . . . . 4434 1 546 . 1 1 54 54 PHE HB2 H 1 3.32 . . 2 . . . . . . . . 4434 1 547 . 1 1 54 54 PHE HB3 H 1 2.78 . . 2 . . . . . . . . 4434 1 548 . 1 1 54 54 PHE HD1 H 1 7.30 . . 1 . . . . . . . . 4434 1 549 . 1 1 54 54 PHE HD2 H 1 7.30 . . 1 . . . . . . . . 4434 1 550 . 1 1 54 54 PHE HE1 H 1 6.88 . . 1 . . . . . . . . 4434 1 551 . 1 1 54 54 PHE HE2 H 1 6.88 . . 1 . . . . . . . . 4434 1 552 . 1 1 54 54 PHE CD1 C 13 132.4 . . 1 . . . . . . . . 4434 1 553 . 1 1 54 54 PHE CE1 C 13 131.7 . . 1 . . . . . . . . 4434 1 554 . 1 1 54 54 PHE CZ C 13 129.3 . . 1 . . . . . . . . 4434 1 555 . 1 1 54 54 PHE HZ H 1 6.72 . . 1 . . . . . . . . 4434 1 556 . 1 1 55 55 GLY N N 15 108.5 . . 1 . . . . . . . . 4434 1 557 . 1 1 55 55 GLY H H 1 9.01 . . 1 . . . . . . . . 4434 1 558 . 1 1 55 55 GLY CA C 13 45.4 . . 1 . . . . . . . . 4434 1 559 . 1 1 55 55 GLY HA2 H 1 3.80 . . 2 . . . . . . . . 4434 1 560 . 1 1 55 55 GLY HA3 H 1 4.16 . . 2 . . . . . . . . 4434 1 561 . 1 1 56 56 SER N N 15 111.7 . . 1 . . . . . . . . 4434 1 562 . 1 1 56 56 SER H H 1 7.29 . . 1 . . . . . . . . 4434 1 563 . 1 1 56 56 SER CA C 13 56.3 . . 1 . . . . . . . . 4434 1 564 . 1 1 56 56 SER HA H 1 4.79 . . 1 . . . . . . . . 4434 1 565 . 1 1 56 56 SER CB C 13 65.7 . . 1 . . . . . . . . 4434 1 566 . 1 1 56 56 SER HB2 H 1 3.89 . . 2 . . . . . . . . 4434 1 567 . 1 1 56 56 SER HB3 H 1 4.12 . . 2 . . . . . . . . 4434 1 568 . 1 1 57 57 ASP N N 15 124.7 . . 1 . . . . . . . . 4434 1 569 . 1 1 57 57 ASP H H 1 9.06 . . 1 . . . . . . . . 4434 1 570 . 1 1 57 57 ASP CA C 13 57.4 . . 1 . . . . . . . . 4434 1 571 . 1 1 57 57 ASP HA H 1 4.48 . . 1 . . . . . . . . 4434 1 572 . 1 1 57 57 ASP CB C 13 40.3 . . 1 . . . . . . . . 4434 1 573 . 1 1 57 57 ASP HB2 H 1 2.74 . . 1 . . . . . . . . 4434 1 574 . 1 1 57 57 ASP HB3 H 1 2.74 . . 1 . . . . . . . . 4434 1 575 . 1 1 58 58 TYR N N 15 118.9 . . 1 . . . . . . . . 4434 1 576 . 1 1 58 58 TYR H H 1 8.59 . . 1 . . . . . . . . 4434 1 577 . 1 1 58 58 TYR CA C 13 61.3 . . 1 . . . . . . . . 4434 1 578 . 1 1 58 58 TYR HA H 1 4.17 . . 1 . . . . . . . . 4434 1 579 . 1 1 58 58 TYR CB C 13 38.0 . . 1 . . . . . . . . 4434 1 580 . 1 1 58 58 TYR HB2 H 1 3.24 . . 2 . . . . . . . . 4434 1 581 . 1 1 58 58 TYR HB3 H 1 2.82 . . 2 . . . . . . . . 4434 1 582 . 1 1 58 58 TYR HD1 H 1 7.03 . . 1 . . . . . . . . 4434 1 583 . 1 1 58 58 TYR HD2 H 1 7.03 . . 1 . . . . . . . . 4434 1 584 . 1 1 58 58 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 4434 1 585 . 1 1 58 58 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 4434 1 586 . 1 1 58 58 TYR CD1 C 13 133.7 . . 1 . . . . . . . . 4434 1 587 . 1 1 58 58 TYR CE1 C 13 118.3 . . 1 . . . . . . . . 4434 1 588 . 1 1 59 59 GLU N N 15 119.0 . . 1 . . . . . . . . 4434 1 589 . 1 1 59 59 GLU H H 1 7.71 . . 1 . . . . . . . . 4434 1 590 . 1 1 59 59 GLU CA C 13 59.5 . . 1 . . . . . . . . 4434 1 591 . 1 1 59 59 GLU HA H 1 3.58 . . 1 . . . . . . . . 4434 1 592 . 1 1 59 59 GLU CB C 13 29.8 . . 1 . . . . . . . . 4434 1 593 . 1 1 59 59 GLU HB2 H 1 1.94 . . 2 . . . . . . . . 4434 1 594 . 1 1 59 59 GLU HB3 H 1 1.55 . . 2 . . . . . . . . 4434 1 595 . 1 1 59 59 GLU CG C 13 37.4 . . 1 . . . . . . . . 4434 1 596 . 1 1 59 59 GLU HG2 H 1 2.26 . . 2 . . . . . . . . 4434 1 597 . 1 1 59 59 GLU HG3 H 1 1.91 . . 2 . . . . . . . . 4434 1 598 . 1 1 60 60 ASP N N 15 119.9 . . 1 . . . . . . . . 4434 1 599 . 1 1 60 60 ASP H H 1 8.21 . . 1 . . . . . . . . 4434 1 600 . 1 1 60 60 ASP CA C 13 58.2 . . 1 . . . . . . . . 4434 1 601 . 1 1 60 60 ASP HA H 1 4.65 . . 1 . . . . . . . . 4434 1 602 . 1 1 60 60 ASP CB C 13 40.1 . . 1 . . . . . . . . 4434 1 603 . 1 1 60 60 ASP HB2 H 1 2.86 . . 2 . . . . . . . . 4434 1 604 . 1 1 60 60 ASP HB3 H 1 3.02 . . 2 . . . . . . . . 4434 1 605 . 1 1 61 61 ARG N N 15 120.3 . . 1 . . . . . . . . 4434 1 606 . 1 1 61 61 ARG H H 1 8.21 . . 1 . . . . . . . . 4434 1 607 . 1 1 61 61 ARG CA C 13 59.4 . . 1 . . . . . . . . 4434 1 608 . 1 1 61 61 ARG HA H 1 3.99 . . 1 . . . . . . . . 4434 1 609 . 1 1 61 61 ARG CB C 13 29.7 . . 1 . . . . . . . . 4434 1 610 . 1 1 61 61 ARG HB2 H 1 1.89 . . 1 . . . . . . . . 4434 1 611 . 1 1 61 61 ARG HB3 H 1 1.89 . . 1 . . . . . . . . 4434 1 612 . 1 1 61 61 ARG CG C 13 27.7 . . 1 . . . . . . . . 4434 1 613 . 1 1 61 61 ARG HG2 H 1 1.73 . . 2 . . . . . . . . 4434 1 614 . 1 1 61 61 ARG HG3 H 1 1.52 . . 2 . . . . . . . . 4434 1 615 . 1 1 61 61 ARG CD C 13 43.4 . . 1 . . . . . . . . 4434 1 616 . 1 1 61 61 ARG HD2 H 1 3.17 . . 2 . . . . . . . . 4434 1 617 . 1 1 61 61 ARG HD3 H 1 3.21 . . 2 . . . . . . . . 4434 1 618 . 1 1 61 61 ARG NE N 15 85.0 . . 1 . . . . . . . . 4434 1 619 . 1 1 61 61 ARG HE H 1 7.46 . . 1 . . . . . . . . 4434 1 620 . 1 1 62 62 TYR N N 15 121.3 . . 1 . . . . . . . . 4434 1 621 . 1 1 62 62 TYR H H 1 8.30 . . 1 . . . . . . . . 4434 1 622 . 1 1 62 62 TYR CA C 13 62.0 . . 1 . . . . . . . . 4434 1 623 . 1 1 62 62 TYR HA H 1 3.81 . . 1 . . . . . . . . 4434 1 624 . 1 1 62 62 TYR CB C 13 38.0 . . 1 . . . . . . . . 4434 1 625 . 1 1 62 62 TYR HB2 H 1 2.59 . . 2 . . . . . . . . 4434 1 626 . 1 1 62 62 TYR HB3 H 1 2.85 . . 2 . . . . . . . . 4434 1 627 . 1 1 62 62 TYR HD1 H 1 6.91 . . 1 . . . . . . . . 4434 1 628 . 1 1 62 62 TYR HD2 H 1 6.91 . . 1 . . . . . . . . 4434 1 629 . 1 1 62 62 TYR HE1 H 1 6.77 . . 1 . . . . . . . . 4434 1 630 . 1 1 62 62 TYR HE2 H 1 6.77 . . 1 . . . . . . . . 4434 1 631 . 1 1 62 62 TYR CD1 C 13 133.3 . . 1 . . . . . . . . 4434 1 632 . 1 1 62 62 TYR CE1 C 13 118.6 . . 1 . . . . . . . . 4434 1 633 . 1 1 63 63 TYR N N 15 120.7 . . 1 . . . . . . . . 4434 1 634 . 1 1 63 63 TYR H H 1 8.96 . . 1 . . . . . . . . 4434 1 635 . 1 1 63 63 TYR CA C 13 62.8 . . 1 . . . . . . . . 4434 1 636 . 1 1 63 63 TYR HA H 1 4.10 . . 1 . . . . . . . . 4434 1 637 . 1 1 63 63 TYR CB C 13 38.1 . . 1 . . . . . . . . 4434 1 638 . 1 1 63 63 TYR HB2 H 1 3.52 . . 2 . . . . . . . . 4434 1 639 . 1 1 63 63 TYR HB3 H 1 3.24 . . 2 . . . . . . . . 4434 1 640 . 1 1 63 63 TYR HD1 H 1 7.52 . . 1 . . . . . . . . 4434 1 641 . 1 1 63 63 TYR HD2 H 1 7.52 . . 1 . . . . . . . . 4434 1 642 . 1 1 63 63 TYR HE1 H 1 6.99 . . 1 . . . . . . . . 4434 1 643 . 1 1 63 63 TYR HE2 H 1 6.99 . . 1 . . . . . . . . 4434 1 644 . 1 1 63 63 TYR CD1 C 13 133.9 . . 1 . . . . . . . . 4434 1 645 . 1 1 63 63 TYR CE1 C 13 118.5 . . 1 . . . . . . . . 4434 1 646 . 1 1 64 64 ARG N N 15 118.0 . . 1 . . . . . . . . 4434 1 647 . 1 1 64 64 ARG H H 1 7.99 . . 1 . . . . . . . . 4434 1 648 . 1 1 64 64 ARG CA C 13 59.8 . . 1 . . . . . . . . 4434 1 649 . 1 1 64 64 ARG HA H 1 3.90 . . 1 . . . . . . . . 4434 1 650 . 1 1 64 64 ARG CB C 13 29.7 . . 1 . . . . . . . . 4434 1 651 . 1 1 64 64 ARG HB2 H 1 2.06 . . 2 . . . . . . . . 4434 1 652 . 1 1 64 64 ARG HB3 H 1 1.93 . . 2 . . . . . . . . 4434 1 653 . 1 1 64 64 ARG CG C 13 28.1 . . 1 . . . . . . . . 4434 1 654 . 1 1 64 64 ARG HG2 H 1 2.01 . . 2 . . . . . . . . 4434 1 655 . 1 1 64 64 ARG HG3 H 1 1.72 . . 2 . . . . . . . . 4434 1 656 . 1 1 64 64 ARG CD C 13 43.0 . . 1 . . . . . . . . 4434 1 657 . 1 1 64 64 ARG HD2 H 1 3.26 . . 2 . . . . . . . . 4434 1 658 . 1 1 64 64 ARG HD3 H 1 3.36 . . 2 . . . . . . . . 4434 1 659 . 1 1 64 64 ARG NE N 15 84.2 . . 1 . . . . . . . . 4434 1 660 . 1 1 64 64 ARG HE H 1 7.48 . . 1 . . . . . . . . 4434 1 661 . 1 1 65 65 GLU N N 15 116.6 . . 1 . . . . . . . . 4434 1 662 . 1 1 65 65 GLU H H 1 8.06 . . 1 . . . . . . . . 4434 1 663 . 1 1 65 65 GLU CA C 13 57.8 . . 1 . . . . . . . . 4434 1 664 . 1 1 65 65 GLU HA H 1 4.05 . . 1 . . . . . . . . 4434 1 665 . 1 1 65 65 GLU CB C 13 29.5 . . 1 . . . . . . . . 4434 1 666 . 1 1 65 65 GLU HB2 H 1 1.87 . . 1 . . . . . . . . 4434 1 667 . 1 1 65 65 GLU HB3 H 1 1.87 . . 1 . . . . . . . . 4434 1 668 . 1 1 65 65 GLU CG C 13 35.8 . . 1 . . . . . . . . 4434 1 669 . 1 1 65 65 GLU HG2 H 1 2.22 . . 2 . . . . . . . . 4434 1 670 . 1 1 65 65 GLU HG3 H 1 2.41 . . 2 . . . . . . . . 4434 1 671 . 1 1 66 66 ASN N N 15 114.7 . . 1 . . . . . . . . 4434 1 672 . 1 1 66 66 ASN H H 1 7.61 . . 1 . . . . . . . . 4434 1 673 . 1 1 66 66 ASN CA C 13 54.8 . . 1 . . . . . . . . 4434 1 674 . 1 1 66 66 ASN HA H 1 4.26 . . 1 . . . . . . . . 4434 1 675 . 1 1 66 66 ASN CB C 13 40.8 . . 1 . . . . . . . . 4434 1 676 . 1 1 66 66 ASN HB2 H 1 2.14 . . 1 . . . . . . . . 4434 1 677 . 1 1 66 66 ASN HB3 H 1 2.14 . . 1 . . . . . . . . 4434 1 678 . 1 1 66 66 ASN ND2 N 15 117.1 . . 1 . . . . . . . . 4434 1 679 . 1 1 66 66 ASN HD21 H 1 6.70 . . 2 . . . . . . . . 4434 1 680 . 1 1 66 66 ASN HD22 H 1 6.58 . . 2 . . . . . . . . 4434 1 681 . 1 1 67 67 MET N N 15 119.7 . . 1 . . . . . . . . 4434 1 682 . 1 1 67 67 MET H H 1 8.12 . . 1 . . . . . . . . 4434 1 683 . 1 1 67 67 MET CA C 13 59.1 . . 1 . . . . . . . . 4434 1 684 . 1 1 67 67 MET HA H 1 3.42 . . 1 . . . . . . . . 4434 1 685 . 1 1 67 67 MET CB C 13 30.1 . . 1 . . . . . . . . 4434 1 686 . 1 1 67 67 MET HB2 H 1 1.63 . . 2 . . . . . . . . 4434 1 687 . 1 1 67 67 MET HB3 H 1 1.30 . . 2 . . . . . . . . 4434 1 688 . 1 1 67 67 MET CG C 13 30.5 . . 1 . . . . . . . . 4434 1 689 . 1 1 67 67 MET HG2 H 1 2.51 . . 2 . . . . . . . . 4434 1 690 . 1 1 67 67 MET HG3 H 1 2.13 . . 2 . . . . . . . . 4434 1 691 . 1 1 67 67 MET HE1 H 1 2.00 . . 1 . . . . . . . . 4434 1 692 . 1 1 67 67 MET HE2 H 1 2.00 . . 1 . . . . . . . . 4434 1 693 . 1 1 67 67 MET HE3 H 1 2.00 . . 1 . . . . . . . . 4434 1 694 . 1 1 67 67 MET CE C 13 17.5 . . 1 . . . . . . . . 4434 1 695 . 1 1 68 68 HIS N N 15 115.1 . . 1 . . . . . . . . 4434 1 696 . 1 1 68 68 HIS H H 1 8.08 . . 1 . . . . . . . . 4434 1 697 . 1 1 68 68 HIS CA C 13 57.4 . . 1 . . . . . . . . 4434 1 698 . 1 1 68 68 HIS HA H 1 4.20 . . 1 . . . . . . . . 4434 1 699 . 1 1 68 68 HIS CB C 13 27.2 . . 1 . . . . . . . . 4434 1 700 . 1 1 68 68 HIS HB2 H 1 3.05 . . 2 . . . . . . . . 4434 1 701 . 1 1 68 68 HIS HB3 H 1 3.30 . . 2 . . . . . . . . 4434 1 702 . 1 1 68 68 HIS CD2 C 13 120.6 . . 1 . . . . . . . . 4434 1 703 . 1 1 68 68 HIS HD2 H 1 7.39 . . 1 . . . . . . . . 4434 1 704 . 1 1 69 69 ARG N N 15 118.0 . . 1 . . . . . . . . 4434 1 705 . 1 1 69 69 ARG H H 1 7.62 . . 1 . . . . . . . . 4434 1 706 . 1 1 69 69 ARG CA C 13 56.0 . . 1 . . . . . . . . 4434 1 707 . 1 1 69 69 ARG HA H 1 4.12 . . 1 . . . . . . . . 4434 1 708 . 1 1 69 69 ARG CB C 13 30.4 . . 1 . . . . . . . . 4434 1 709 . 1 1 69 69 ARG HB2 H 1 1.39 . . 2 . . . . . . . . 4434 1 710 . 1 1 69 69 ARG HB3 H 1 2.08 . . 2 . . . . . . . . 4434 1 711 . 1 1 69 69 ARG CG C 13 27.2 . . 1 . . . . . . . . 4434 1 712 . 1 1 69 69 ARG HG2 H 1 1.36 . . 2 . . . . . . . . 4434 1 713 . 1 1 69 69 ARG HG3 H 1 0.31 . . 2 . . . . . . . . 4434 1 714 . 1 1 69 69 ARG CD C 13 44.0 . . 1 . . . . . . . . 4434 1 715 . 1 1 69 69 ARG HD2 H 1 3.23 . . 2 . . . . . . . . 4434 1 716 . 1 1 69 69 ARG HD3 H 1 3.06 . . 2 . . . . . . . . 4434 1 717 . 1 1 69 69 ARG NE N 15 84.0 . . 1 . . . . . . . . 4434 1 718 . 1 1 69 69 ARG HE H 1 7.36 . . 1 . . . . . . . . 4434 1 719 . 1 1 70 70 TYR N N 15 120.7 . . 1 . . . . . . . . 4434 1 720 . 1 1 70 70 TYR H H 1 7.48 . . 1 . . . . . . . . 4434 1 721 . 1 1 70 70 TYR CA C 13 52.5 . . 1 . . . . . . . . 4434 1 722 . 1 1 70 70 TYR HA H 1 5.01 . . 1 . . . . . . . . 4434 1 723 . 1 1 70 70 TYR CB C 13 34.8 . . 1 . . . . . . . . 4434 1 724 . 1 1 70 70 TYR HB2 H 1 3.11 . . 1 . . . . . . . . 4434 1 725 . 1 1 70 70 TYR HB3 H 1 3.11 . . 1 . . . . . . . . 4434 1 726 . 1 1 70 70 TYR HD1 H 1 6.85 . . 1 . . . . . . . . 4434 1 727 . 1 1 70 70 TYR HD2 H 1 6.85 . . 1 . . . . . . . . 4434 1 728 . 1 1 70 70 TYR HE1 H 1 6.55 . . 1 . . . . . . . . 4434 1 729 . 1 1 70 70 TYR HE2 H 1 6.55 . . 1 . . . . . . . . 4434 1 730 . 1 1 70 70 TYR CD1 C 13 131.5 . . 1 . . . . . . . . 4434 1 731 . 1 1 70 70 TYR CE1 C 13 117.5 . . 1 . . . . . . . . 4434 1 732 . 1 1 71 71 PRO CD C 13 49.9 . . 1 . . . . . . . . 4434 1 733 . 1 1 71 71 PRO CA C 13 63.5 . . 1 . . . . . . . . 4434 1 734 . 1 1 71 71 PRO HA H 1 4.40 . . 1 . . . . . . . . 4434 1 735 . 1 1 71 71 PRO CB C 13 32.2 . . 1 . . . . . . . . 4434 1 736 . 1 1 71 71 PRO HB2 H 1 1.67 . . 2 . . . . . . . . 4434 1 737 . 1 1 71 71 PRO HB3 H 1 2.44 . . 2 . . . . . . . . 4434 1 738 . 1 1 71 71 PRO CG C 13 27.2 . . 1 . . . . . . . . 4434 1 739 . 1 1 71 71 PRO HG2 H 1 1.53 . . 2 . . . . . . . . 4434 1 740 . 1 1 71 71 PRO HG3 H 1 1.29 . . 2 . . . . . . . . 4434 1 741 . 1 1 71 71 PRO HD2 H 1 3.10 . . 2 . . . . . . . . 4434 1 742 . 1 1 71 71 PRO HD3 H 1 3.29 . . 2 . . . . . . . . 4434 1 743 . 1 1 72 72 ASN N N 15 116.1 . . 1 . . . . . . . . 4434 1 744 . 1 1 72 72 ASN H H 1 8.55 . . 1 . . . . . . . . 4434 1 745 . 1 1 72 72 ASN CA C 13 51.8 . . 1 . . . . . . . . 4434 1 746 . 1 1 72 72 ASN HA H 1 4.70 . . 1 . . . . . . . . 4434 1 747 . 1 1 72 72 ASN CB C 13 38.0 . . 1 . . . . . . . . 4434 1 748 . 1 1 72 72 ASN HB2 H 1 2.42 . . 2 . . . . . . . . 4434 1 749 . 1 1 72 72 ASN HB3 H 1 3.65 . . 2 . . . . . . . . 4434 1 750 . 1 1 72 72 ASN ND2 N 15 109.1 . . 1 . . . . . . . . 4434 1 751 . 1 1 72 72 ASN HD21 H 1 7.48 . . 2 . . . . . . . . 4434 1 752 . 1 1 72 72 ASN HD22 H 1 6.77 . . 2 . . . . . . . . 4434 1 753 . 1 1 73 73 GLN N N 15 113.6 . . 1 . . . . . . . . 4434 1 754 . 1 1 73 73 GLN H H 1 7.26 . . 1 . . . . . . . . 4434 1 755 . 1 1 73 73 GLN CA C 13 53.8 . . 1 . . . . . . . . 4434 1 756 . 1 1 73 73 GLN HA H 1 4.52 . . 1 . . . . . . . . 4434 1 757 . 1 1 73 73 GLN CB C 13 33.5 . . 1 . . . . . . . . 4434 1 758 . 1 1 73 73 GLN HB2 H 1 1.68 . . 2 . . . . . . . . 4434 1 759 . 1 1 73 73 GLN HB3 H 1 1.96 . . 2 . . . . . . . . 4434 1 760 . 1 1 73 73 GLN CG C 13 33.9 . . 1 . . . . . . . . 4434 1 761 . 1 1 73 73 GLN HG2 H 1 2.14 . . 2 . . . . . . . . 4434 1 762 . 1 1 73 73 GLN HG3 H 1 2.01 . . 2 . . . . . . . . 4434 1 763 . 1 1 73 73 GLN NE2 N 15 112.7 . . 1 . . . . . . . . 4434 1 764 . 1 1 73 73 GLN HE21 H 1 7.92 . . 2 . . . . . . . . 4434 1 765 . 1 1 73 73 GLN HE22 H 1 6.98 . . 2 . . . . . . . . 4434 1 766 . 1 1 74 74 VAL N N 15 112.9 . . 1 . . . . . . . . 4434 1 767 . 1 1 74 74 VAL H H 1 8.52 . . 1 . . . . . . . . 4434 1 768 . 1 1 74 74 VAL CA C 13 58.6 . . 1 . . . . . . . . 4434 1 769 . 1 1 74 74 VAL HA H 1 4.90 . . 1 . . . . . . . . 4434 1 770 . 1 1 74 74 VAL CB C 13 33.8 . . 1 . . . . . . . . 4434 1 771 . 1 1 74 74 VAL HB H 1 2.60 . . 1 . . . . . . . . 4434 1 772 . 1 1 74 74 VAL HG11 H 1 0.93 . . 2 . . . . . . . . 4434 1 773 . 1 1 74 74 VAL HG12 H 1 0.93 . . 2 . . . . . . . . 4434 1 774 . 1 1 74 74 VAL HG13 H 1 0.93 . . 2 . . . . . . . . 4434 1 775 . 1 1 74 74 VAL HG21 H 1 0.74 . . 2 . . . . . . . . 4434 1 776 . 1 1 74 74 VAL HG22 H 1 0.74 . . 2 . . . . . . . . 4434 1 777 . 1 1 74 74 VAL HG23 H 1 0.74 . . 2 . . . . . . . . 4434 1 778 . 1 1 74 74 VAL CG1 C 13 23.4 . . 1 . . . . . . . . 4434 1 779 . 1 1 74 74 VAL CG2 C 13 18.4 . . 1 . . . . . . . . 4434 1 780 . 1 1 75 75 TYR N N 15 121.3 . . 1 . . . . . . . . 4434 1 781 . 1 1 75 75 TYR H H 1 8.45 . . 1 . . . . . . . . 4434 1 782 . 1 1 75 75 TYR CA C 13 56.8 . . 1 . . . . . . . . 4434 1 783 . 1 1 75 75 TYR HA H 1 5.51 . . 1 . . . . . . . . 4434 1 784 . 1 1 75 75 TYR CB C 13 41.9 . . 1 . . . . . . . . 4434 1 785 . 1 1 75 75 TYR HB2 H 1 2.54 . . 2 . . . . . . . . 4434 1 786 . 1 1 75 75 TYR HB3 H 1 2.58 . . 2 . . . . . . . . 4434 1 787 . 1 1 75 75 TYR HD1 H 1 6.88 . . 1 . . . . . . . . 4434 1 788 . 1 1 75 75 TYR HD2 H 1 6.88 . . 1 . . . . . . . . 4434 1 789 . 1 1 75 75 TYR HE1 H 1 6.74 . . 1 . . . . . . . . 4434 1 790 . 1 1 75 75 TYR HE2 H 1 6.74 . . 1 . . . . . . . . 4434 1 791 . 1 1 75 75 TYR CD1 C 13 133.8 . . 1 . . . . . . . . 4434 1 792 . 1 1 75 75 TYR CE1 C 13 118.7 . . 1 . . . . . . . . 4434 1 793 . 1 1 76 76 TYR N N 15 111.1 . . 1 . . . . . . . . 4434 1 794 . 1 1 76 76 TYR H H 1 8.60 . . 1 . . . . . . . . 4434 1 795 . 1 1 76 76 TYR CA C 13 55.7 . . 1 . . . . . . . . 4434 1 796 . 1 1 76 76 TYR HA H 1 4.77 . . 1 . . . . . . . . 4434 1 797 . 1 1 76 76 TYR CB C 13 40.0 . . 1 . . . . . . . . 4434 1 798 . 1 1 76 76 TYR HB2 H 1 2.60 . . 2 . . . . . . . . 4434 1 799 . 1 1 76 76 TYR HB3 H 1 2.67 . . 2 . . . . . . . . 4434 1 800 . 1 1 76 76 TYR HD1 H 1 7.00 . . 1 . . . . . . . . 4434 1 801 . 1 1 76 76 TYR HD2 H 1 7.00 . . 1 . . . . . . . . 4434 1 802 . 1 1 76 76 TYR HE1 H 1 6.44 . . 1 . . . . . . . . 4434 1 803 . 1 1 76 76 TYR HE2 H 1 6.44 . . 1 . . . . . . . . 4434 1 804 . 1 1 76 76 TYR CD1 C 13 134.3 . . 1 . . . . . . . . 4434 1 805 . 1 1 76 76 TYR CE1 C 13 118.0 . . 1 . . . . . . . . 4434 1 806 . 1 1 77 77 ARG N N 15 121.1 . . 1 . . . . . . . . 4434 1 807 . 1 1 77 77 ARG H H 1 8.02 . . 1 . . . . . . . . 4434 1 808 . 1 1 77 77 ARG CA C 13 52.9 . . 1 . . . . . . . . 4434 1 809 . 1 1 77 77 ARG HA H 1 4.60 . . 1 . . . . . . . . 4434 1 810 . 1 1 77 77 ARG CB C 13 30.0 . . 1 . . . . . . . . 4434 1 811 . 1 1 77 77 ARG HB2 H 1 1.61 . . 1 . . . . . . . . 4434 1 812 . 1 1 77 77 ARG HB3 H 1 1.61 . . 1 . . . . . . . . 4434 1 813 . 1 1 77 77 ARG CG C 13 27.3 . . 1 . . . . . . . . 4434 1 814 . 1 1 77 77 ARG HG2 H 1 1.13 . . 1 . . . . . . . . 4434 1 815 . 1 1 77 77 ARG HG3 H 1 1.13 . . 1 . . . . . . . . 4434 1 816 . 1 1 77 77 ARG CD C 13 43.2 . . 1 . . . . . . . . 4434 1 817 . 1 1 77 77 ARG HD2 H 1 2.85 . . 1 . . . . . . . . 4434 1 818 . 1 1 77 77 ARG HD3 H 1 2.85 . . 1 . . . . . . . . 4434 1 819 . 1 1 77 77 ARG NE N 15 85.0 . . 1 . . . . . . . . 4434 1 820 . 1 1 77 77 ARG HE H 1 6.93 . . 1 . . . . . . . . 4434 1 821 . 1 1 78 78 PRO CD C 13 50.4 . . 1 . . . . . . . . 4434 1 822 . 1 1 78 78 PRO CA C 13 63.2 . . 1 . . . . . . . . 4434 1 823 . 1 1 78 78 PRO HA H 1 4.49 . . 1 . . . . . . . . 4434 1 824 . 1 1 78 78 PRO CB C 13 32.2 . . 1 . . . . . . . . 4434 1 825 . 1 1 78 78 PRO HB2 H 1 2.45 . . 2 . . . . . . . . 4434 1 826 . 1 1 78 78 PRO HB3 H 1 1.91 . . 2 . . . . . . . . 4434 1 827 . 1 1 78 78 PRO CG C 13 27.9 . . 1 . . . . . . . . 4434 1 828 . 1 1 78 78 PRO HG2 H 1 2.08 . . 2 . . . . . . . . 4434 1 829 . 1 1 78 78 PRO HG3 H 1 1.91 . . 2 . . . . . . . . 4434 1 830 . 1 1 78 78 PRO HD2 H 1 3.50 . . 2 . . . . . . . . 4434 1 831 . 1 1 78 78 PRO HD3 H 1 3.62 . . 2 . . . . . . . . 4434 1 832 . 1 1 79 79 MET N N 15 120.6 . . 1 . . . . . . . . 4434 1 833 . 1 1 79 79 MET H H 1 8.86 . . 1 . . . . . . . . 4434 1 834 . 1 1 79 79 MET CA C 13 57.5 . . 1 . . . . . . . . 4434 1 835 . 1 1 79 79 MET HA H 1 4.46 . . 1 . . . . . . . . 4434 1 836 . 1 1 79 79 MET CB C 13 32.1 . . 1 . . . . . . . . 4434 1 837 . 1 1 79 79 MET HB2 H 1 2.34 . . 1 . . . . . . . . 4434 1 838 . 1 1 79 79 MET HB3 H 1 2.34 . . 1 . . . . . . . . 4434 1 839 . 1 1 79 79 MET CG C 13 32.8 . . 1 . . . . . . . . 4434 1 840 . 1 1 79 79 MET HG2 H 1 1.83 . . 2 . . . . . . . . 4434 1 841 . 1 1 79 79 MET HG3 H 1 1.77 . . 2 . . . . . . . . 4434 1 842 . 1 1 79 79 MET HE1 H 1 1.61 . . 1 . . . . . . . . 4434 1 843 . 1 1 79 79 MET HE2 H 1 1.61 . . 1 . . . . . . . . 4434 1 844 . 1 1 79 79 MET HE3 H 1 1.61 . . 1 . . . . . . . . 4434 1 845 . 1 1 79 79 MET CE C 13 17.0 . . 1 . . . . . . . . 4434 1 846 . 1 1 80 80 ASP N N 15 118.5 . . 1 . . . . . . . . 4434 1 847 . 1 1 80 80 ASP H H 1 8.45 . . 1 . . . . . . . . 4434 1 848 . 1 1 80 80 ASP CA C 13 54.0 . . 1 . . . . . . . . 4434 1 849 . 1 1 80 80 ASP HA H 1 4.52 . . 1 . . . . . . . . 4434 1 850 . 1 1 80 80 ASP CB C 13 39.6 . . 1 . . . . . . . . 4434 1 851 . 1 1 80 80 ASP HB2 H 1 2.96 . . 2 . . . . . . . . 4434 1 852 . 1 1 80 80 ASP HB3 H 1 2.72 . . 2 . . . . . . . . 4434 1 853 . 1 1 81 81 GLU N N 15 117.1 . . 1 . . . . . . . . 4434 1 854 . 1 1 81 81 GLU H H 1 8.40 . . 1 . . . . . . . . 4434 1 855 . 1 1 81 81 GLU CA C 13 54.9 . . 1 . . . . . . . . 4434 1 856 . 1 1 81 81 GLU HA H 1 4.65 . . 1 . . . . . . . . 4434 1 857 . 1 1 81 81 GLU CB C 13 28.5 . . 1 . . . . . . . . 4434 1 858 . 1 1 81 81 GLU HB2 H 1 3.21 . . 2 . . . . . . . . 4434 1 859 . 1 1 81 81 GLU HB3 H 1 3.13 . . 2 . . . . . . . . 4434 1 860 . 1 1 82 82 TYR HD1 H 1 7.18 . . 1 . . . . . . . . 4434 1 861 . 1 1 82 82 TYR HD2 H 1 7.18 . . 1 . . . . . . . . 4434 1 862 . 1 1 82 82 TYR HE1 H 1 6.87 . . 1 . . . . . . . . 4434 1 863 . 1 1 82 82 TYR HE2 H 1 6.87 . . 1 . . . . . . . . 4434 1 864 . 1 1 82 82 TYR CD1 C 13 133.8 . . 1 . . . . . . . . 4434 1 865 . 1 1 82 82 TYR CE1 C 13 119.0 . . 1 . . . . . . . . 4434 1 866 . 1 1 83 83 SER CA C 13 58.6 . . 1 . . . . . . . . 4434 1 867 . 1 1 83 83 SER HA H 1 4.58 . . 1 . . . . . . . . 4434 1 868 . 1 1 83 83 SER CB C 13 63.9 . . 1 . . . . . . . . 4434 1 869 . 1 1 83 83 SER HB2 H 1 3.97 . . 2 . . . . . . . . 4434 1 870 . 1 1 83 83 SER HB3 H 1 3.94 . . 2 . . . . . . . . 4434 1 871 . 1 1 84 84 ASN CA C 13 52.1 . . 1 . . . . . . . . 4434 1 872 . 1 1 84 84 ASN HA H 1 4.75 . . 1 . . . . . . . . 4434 1 873 . 1 1 84 84 ASN CB C 13 39.7 . . 1 . . . . . . . . 4434 1 874 . 1 1 84 84 ASN HB2 H 1 3.11 . . 2 . . . . . . . . 4434 1 875 . 1 1 84 84 ASN HB3 H 1 3.02 . . 2 . . . . . . . . 4434 1 876 . 1 1 84 84 ASN ND2 N 15 113.3 . . 1 . . . . . . . . 4434 1 877 . 1 1 84 84 ASN HD21 H 1 7.55 . . 2 . . . . . . . . 4434 1 878 . 1 1 84 84 ASN HD22 H 1 6.71 . . 2 . . . . . . . . 4434 1 879 . 1 1 85 85 GLN N N 15 120.3 . . 1 . . . . . . . . 4434 1 880 . 1 1 85 85 GLN H H 1 8.67 . . 1 . . . . . . . . 4434 1 881 . 1 1 85 85 GLN CA C 13 59.2 . . 1 . . . . . . . . 4434 1 882 . 1 1 85 85 GLN HA H 1 2.89 . . 1 . . . . . . . . 4434 1 883 . 1 1 85 85 GLN CB C 13 28.9 . . 1 . . . . . . . . 4434 1 884 . 1 1 85 85 GLN HB2 H 1 1.61 . . 2 . . . . . . . . 4434 1 885 . 1 1 85 85 GLN HB3 H 1 1.59 . . 2 . . . . . . . . 4434 1 886 . 1 1 85 85 GLN CG C 13 33.2 . . 1 . . . . . . . . 4434 1 887 . 1 1 85 85 GLN HG2 H 1 1.45 . . 2 . . . . . . . . 4434 1 888 . 1 1 85 85 GLN HG3 H 1 1.12 . . 2 . . . . . . . . 4434 1 889 . 1 1 85 85 GLN NE2 N 15 111.8 . . 1 . . . . . . . . 4434 1 890 . 1 1 85 85 GLN HE21 H 1 7.47 . . 2 . . . . . . . . 4434 1 891 . 1 1 85 85 GLN HE22 H 1 6.79 . . 2 . . . . . . . . 4434 1 892 . 1 1 86 86 ASN N N 15 117.1 . . 1 . . . . . . . . 4434 1 893 . 1 1 86 86 ASN H H 1 8.38 . . 1 . . . . . . . . 4434 1 894 . 1 1 86 86 ASN CA C 13 56.4 . . 1 . . . . . . . . 4434 1 895 . 1 1 86 86 ASN HA H 1 4.22 . . 1 . . . . . . . . 4434 1 896 . 1 1 86 86 ASN CB C 13 37.7 . . 1 . . . . . . . . 4434 1 897 . 1 1 86 86 ASN HB2 H 1 2.64 . . 2 . . . . . . . . 4434 1 898 . 1 1 86 86 ASN HB3 H 1 2.73 . . 2 . . . . . . . . 4434 1 899 . 1 1 86 86 ASN ND2 N 15 112.9 . . 1 . . . . . . . . 4434 1 900 . 1 1 86 86 ASN HD21 H 1 7.58 . . 2 . . . . . . . . 4434 1 901 . 1 1 86 86 ASN HD22 H 1 6.94 . . 2 . . . . . . . . 4434 1 902 . 1 1 87 87 ASN N N 15 118.6 . . 1 . . . . . . . . 4434 1 903 . 1 1 87 87 ASN H H 1 8.64 . . 1 . . . . . . . . 4434 1 904 . 1 1 87 87 ASN CA C 13 55.8 . . 1 . . . . . . . . 4434 1 905 . 1 1 87 87 ASN HA H 1 4.54 . . 1 . . . . . . . . 4434 1 906 . 1 1 87 87 ASN CB C 13 37.8 . . 1 . . . . . . . . 4434 1 907 . 1 1 87 87 ASN HB2 H 1 2.91 . . 2 . . . . . . . . 4434 1 908 . 1 1 87 87 ASN HB3 H 1 3.05 . . 2 . . . . . . . . 4434 1 909 . 1 1 87 87 ASN ND2 N 15 112.2 . . 1 . . . . . . . . 4434 1 910 . 1 1 87 87 ASN HD21 H 1 7.46 . . 2 . . . . . . . . 4434 1 911 . 1 1 87 87 ASN HD22 H 1 6.83 . . 2 . . . . . . . . 4434 1 912 . 1 1 88 88 PHE HD1 H 1 7.67 . . 1 . . . . . . . . 4434 1 913 . 1 1 88 88 PHE HD2 H 1 7.67 . . 1 . . . . . . . . 4434 1 914 . 1 1 88 88 PHE HE1 H 1 6.69 . . 1 . . . . . . . . 4434 1 915 . 1 1 88 88 PHE HE2 H 1 6.69 . . 1 . . . . . . . . 4434 1 916 . 1 1 88 88 PHE CD1 C 13 132.1 . . 1 . . . . . . . . 4434 1 917 . 1 1 88 88 PHE CE1 C 13 129.6 . . 1 . . . . . . . . 4434 1 918 . 1 1 89 89 VAL N N 15 120.2 . . 1 . . . . . . . . 4434 1 919 . 1 1 89 89 VAL H H 1 8.95 . . 1 . . . . . . . . 4434 1 920 . 1 1 89 89 VAL CA C 13 67.6 . . 1 . . . . . . . . 4434 1 921 . 1 1 89 89 VAL HA H 1 3.50 . . 1 . . . . . . . . 4434 1 922 . 1 1 89 89 VAL CB C 13 31.9 . . 1 . . . . . . . . 4434 1 923 . 1 1 89 89 VAL HB H 1 2.21 . . 1 . . . . . . . . 4434 1 924 . 1 1 89 89 VAL HG11 H 1 1.05 . . 2 . . . . . . . . 4434 1 925 . 1 1 89 89 VAL HG12 H 1 1.05 . . 2 . . . . . . . . 4434 1 926 . 1 1 89 89 VAL HG13 H 1 1.05 . . 2 . . . . . . . . 4434 1 927 . 1 1 89 89 VAL HG21 H 1 1.01 . . 2 . . . . . . . . 4434 1 928 . 1 1 89 89 VAL HG22 H 1 1.01 . . 2 . . . . . . . . 4434 1 929 . 1 1 89 89 VAL HG23 H 1 1.01 . . 2 . . . . . . . . 4434 1 930 . 1 1 89 89 VAL CG1 C 13 21.6 . . 1 . . . . . . . . 4434 1 931 . 1 1 89 89 VAL CG2 C 13 24.5 . . 1 . . . . . . . . 4434 1 932 . 1 1 90 90 HIS N N 15 116.7 . . 1 . . . . . . . . 4434 1 933 . 1 1 90 90 HIS H H 1 8.36 . . 1 . . . . . . . . 4434 1 934 . 1 1 90 90 HIS CA C 13 59.2 . . 1 . . . . . . . . 4434 1 935 . 1 1 90 90 HIS HA H 1 4.29 . . 1 . . . . . . . . 4434 1 936 . 1 1 90 90 HIS CB C 13 28.2 . . 1 . . . . . . . . 4434 1 937 . 1 1 90 90 HIS HB2 H 1 3.37 . . 2 . . . . . . . . 4434 1 938 . 1 1 90 90 HIS HB3 H 1 3.32 . . 2 . . . . . . . . 4434 1 939 . 1 1 90 90 HIS CD2 C 13 120.3 . . 1 . . . . . . . . 4434 1 940 . 1 1 90 90 HIS CE1 C 13 136.7 . . 1 . . . . . . . . 4434 1 941 . 1 1 90 90 HIS HD2 H 1 7.45 . . 1 . . . . . . . . 4434 1 942 . 1 1 90 90 HIS HE1 H 1 8.64 . . 1 . . . . . . . . 4434 1 943 . 1 1 91 91 ASP N N 15 118.6 . . 1 . . . . . . . . 4434 1 944 . 1 1 91 91 ASP H H 1 7.74 . . 1 . . . . . . . . 4434 1 945 . 1 1 91 91 ASP CA C 13 56.9 . . 1 . . . . . . . . 4434 1 946 . 1 1 91 91 ASP HA H 1 4.53 . . 1 . . . . . . . . 4434 1 947 . 1 1 91 91 ASP CB C 13 40.8 . . 1 . . . . . . . . 4434 1 948 . 1 1 91 91 ASP HB2 H 1 2.96 . . 2 . . . . . . . . 4434 1 949 . 1 1 91 91 ASP HB3 H 1 2.85 . . 2 . . . . . . . . 4434 1 950 . 1 1 92 92 CYS N N 15 119.2 . . 1 . . . . . . . . 4434 1 951 . 1 1 92 92 CYS H H 1 8.07 . . 1 . . . . . . . . 4434 1 952 . 1 1 92 92 CYS CA C 13 58.5 . . 1 . . . . . . . . 4434 1 953 . 1 1 92 92 CYS HA H 1 4.71 . . 1 . . . . . . . . 4434 1 954 . 1 1 92 92 CYS CB C 13 40.3 . . 1 . . . . . . . . 4434 1 955 . 1 1 92 92 CYS HB2 H 1 2.97 . . 2 . . . . . . . . 4434 1 956 . 1 1 92 92 CYS HB3 H 1 3.22 . . 2 . . . . . . . . 4434 1 957 . 1 1 93 93 VAL N N 15 124.9 . . 1 . . . . . . . . 4434 1 958 . 1 1 93 93 VAL H H 1 9.13 . . 1 . . . . . . . . 4434 1 959 . 1 1 93 93 VAL CA C 13 66.2 . . 1 . . . . . . . . 4434 1 960 . 1 1 93 93 VAL HA H 1 3.62 . . 1 . . . . . . . . 4434 1 961 . 1 1 93 93 VAL CB C 13 31.8 . . 1 . . . . . . . . 4434 1 962 . 1 1 93 93 VAL HB H 1 2.16 . . 1 . . . . . . . . 4434 1 963 . 1 1 93 93 VAL HG11 H 1 0.95 . . 2 . . . . . . . . 4434 1 964 . 1 1 93 93 VAL HG12 H 1 0.95 . . 2 . . . . . . . . 4434 1 965 . 1 1 93 93 VAL HG13 H 1 0.95 . . 2 . . . . . . . . 4434 1 966 . 1 1 93 93 VAL HG21 H 1 1.07 . . 2 . . . . . . . . 4434 1 967 . 1 1 93 93 VAL HG22 H 1 1.07 . . 2 . . . . . . . . 4434 1 968 . 1 1 93 93 VAL HG23 H 1 1.07 . . 2 . . . . . . . . 4434 1 969 . 1 1 93 93 VAL CG1 C 13 21.6 . . 1 . . . . . . . . 4434 1 970 . 1 1 93 93 VAL CG2 C 13 23.4 . . 1 . . . . . . . . 4434 1 971 . 1 1 94 94 ASN N N 15 116.3 . . 1 . . . . . . . . 4434 1 972 . 1 1 94 94 ASN H H 1 7.66 . . 1 . . . . . . . . 4434 1 973 . 1 1 94 94 ASN CA C 13 56.4 . . 1 . . . . . . . . 4434 1 974 . 1 1 94 94 ASN HA H 1 4.30 . . 1 . . . . . . . . 4434 1 975 . 1 1 94 94 ASN CB C 13 38.6 . . 1 . . . . . . . . 4434 1 976 . 1 1 94 94 ASN HB2 H 1 2.85 . . 2 . . . . . . . . 4434 1 977 . 1 1 94 94 ASN HB3 H 1 2.77 . . 2 . . . . . . . . 4434 1 978 . 1 1 94 94 ASN ND2 N 15 112.0 . . 1 . . . . . . . . 4434 1 979 . 1 1 94 94 ASN HD21 H 1 7.64 . . 2 . . . . . . . . 4434 1 980 . 1 1 94 94 ASN HD22 H 1 6.77 . . 2 . . . . . . . . 4434 1 981 . 1 1 95 95 ILE N N 15 118.8 . . 1 . . . . . . . . 4434 1 982 . 1 1 95 95 ILE H H 1 8.70 . . 1 . . . . . . . . 4434 1 983 . 1 1 95 95 ILE CA C 13 62.1 . . 1 . . . . . . . . 4434 1 984 . 1 1 95 95 ILE HA H 1 3.74 . . 1 . . . . . . . . 4434 1 985 . 1 1 95 95 ILE CB C 13 36.5 . . 1 . . . . . . . . 4434 1 986 . 1 1 95 95 ILE HB H 1 1.54 . . 1 . . . . . . . . 4434 1 987 . 1 1 95 95 ILE HG21 H 1 0.25 . . 1 . . . . . . . . 4434 1 988 . 1 1 95 95 ILE HG22 H 1 0.25 . . 1 . . . . . . . . 4434 1 989 . 1 1 95 95 ILE HG23 H 1 0.25 . . 1 . . . . . . . . 4434 1 990 . 1 1 95 95 ILE CG2 C 13 18.3 . . 1 . . . . . . . . 4434 1 991 . 1 1 95 95 ILE CG1 C 13 27.5 . . 1 . . . . . . . . 4434 1 992 . 1 1 95 95 ILE HG12 H 1 0.85 . . 2 . . . . . . . . 4434 1 993 . 1 1 95 95 ILE HG13 H 1 0.82 . . 2 . . . . . . . . 4434 1 994 . 1 1 95 95 ILE HD11 H 1 0.39 . . 1 . . . . . . . . 4434 1 995 . 1 1 95 95 ILE HD12 H 1 0.39 . . 1 . . . . . . . . 4434 1 996 . 1 1 95 95 ILE HD13 H 1 0.39 . . 1 . . . . . . . . 4434 1 997 . 1 1 95 95 ILE CD1 C 13 11.3 . . 1 . . . . . . . . 4434 1 998 . 1 1 96 96 THR N N 15 118.3 . . 1 . . . . . . . . 4434 1 999 . 1 1 96 96 THR H H 1 8.16 . . 1 . . . . . . . . 4434 1 1000 . 1 1 96 96 THR CA C 13 68.7 . . 1 . . . . . . . . 4434 1 1001 . 1 1 96 96 THR HA H 1 4.04 . . 1 . . . . . . . . 4434 1 1002 . 1 1 96 96 THR CB C 13 68.1 . . 1 . . . . . . . . 4434 1 1003 . 1 1 96 96 THR HB H 1 4.46 . . 1 . . . . . . . . 4434 1 1004 . 1 1 96 96 THR HG21 H 1 1.47 . . 1 . . . . . . . . 4434 1 1005 . 1 1 96 96 THR HG22 H 1 1.47 . . 1 . . . . . . . . 4434 1 1006 . 1 1 96 96 THR HG23 H 1 1.47 . . 1 . . . . . . . . 4434 1 1007 . 1 1 96 96 THR HG1 H 1 6.31 . . 1 . . . . . . . . 4434 1 1008 . 1 1 96 96 THR CG2 C 13 22.0 . . 1 . . . . . . . . 4434 1 1009 . 1 1 97 97 ILE N N 15 120.8 . . 1 . . . . . . . . 4434 1 1010 . 1 1 97 97 ILE H H 1 8.52 . . 1 . . . . . . . . 4434 1 1011 . 1 1 97 97 ILE CA C 13 65.6 . . 1 . . . . . . . . 4434 1 1012 . 1 1 97 97 ILE HA H 1 3.67 . . 1 . . . . . . . . 4434 1 1013 . 1 1 97 97 ILE CB C 13 36.6 . . 1 . . . . . . . . 4434 1 1014 . 1 1 97 97 ILE HB H 1 2.08 . . 1 . . . . . . . . 4434 1 1015 . 1 1 97 97 ILE HG21 H 1 0.86 . . 1 . . . . . . . . 4434 1 1016 . 1 1 97 97 ILE HG22 H 1 0.86 . . 1 . . . . . . . . 4434 1 1017 . 1 1 97 97 ILE HG23 H 1 0.86 . . 1 . . . . . . . . 4434 1 1018 . 1 1 97 97 ILE CG2 C 13 16.7 . . 1 . . . . . . . . 4434 1 1019 . 1 1 97 97 ILE CG1 C 13 29.7 . . 1 . . . . . . . . 4434 1 1020 . 1 1 97 97 ILE HG12 H 1 1.80 . . 2 . . . . . . . . 4434 1 1021 . 1 1 97 97 ILE HG13 H 1 1.19 . . 2 . . . . . . . . 4434 1 1022 . 1 1 97 97 ILE HD11 H 1 0.75 . . 1 . . . . . . . . 4434 1 1023 . 1 1 97 97 ILE HD12 H 1 0.75 . . 1 . . . . . . . . 4434 1 1024 . 1 1 97 97 ILE HD13 H 1 0.75 . . 1 . . . . . . . . 4434 1 1025 . 1 1 97 97 ILE CD1 C 13 12.8 . . 1 . . . . . . . . 4434 1 1026 . 1 1 98 98 LYS N N 15 122.8 . . 1 . . . . . . . . 4434 1 1027 . 1 1 98 98 LYS H H 1 8.03 . . 1 . . . . . . . . 4434 1 1028 . 1 1 98 98 LYS CA C 13 59.8 . . 1 . . . . . . . . 4434 1 1029 . 1 1 98 98 LYS HA H 1 4.04 . . 1 . . . . . . . . 4434 1 1030 . 1 1 98 98 LYS CB C 13 31.9 . . 1 . . . . . . . . 4434 1 1031 . 1 1 98 98 LYS HB2 H 1 1.92 . . 2 . . . . . . . . 4434 1 1032 . 1 1 98 98 LYS HB3 H 1 1.86 . . 2 . . . . . . . . 4434 1 1033 . 1 1 98 98 LYS CG C 13 24.8 . . 1 . . . . . . . . 4434 1 1034 . 1 1 98 98 LYS HG2 H 1 1.47 . . 2 . . . . . . . . 4434 1 1035 . 1 1 98 98 LYS HG3 H 1 1.37 . . 2 . . . . . . . . 4434 1 1036 . 1 1 98 98 LYS CD C 13 28.8 . . 1 . . . . . . . . 4434 1 1037 . 1 1 98 98 LYS HD2 H 1 1.59 . . 1 . . . . . . . . 4434 1 1038 . 1 1 98 98 LYS HD3 H 1 1.59 . . 1 . . . . . . . . 4434 1 1039 . 1 1 98 98 LYS CE C 13 41.7 . . 1 . . . . . . . . 4434 1 1040 . 1 1 98 98 LYS HE2 H 1 2.89 . . 1 . . . . . . . . 4434 1 1041 . 1 1 98 98 LYS HE3 H 1 2.89 . . 1 . . . . . . . . 4434 1 1042 . 1 1 99 99 GLN N N 15 116.3 . . 1 . . . . . . . . 4434 1 1043 . 1 1 99 99 GLN H H 1 8.35 . . 1 . . . . . . . . 4434 1 1044 . 1 1 99 99 GLN CA C 13 57.4 . . 1 . . . . . . . . 4434 1 1045 . 1 1 99 99 GLN HA H 1 4.01 . . 1 . . . . . . . . 4434 1 1046 . 1 1 99 99 GLN CB C 13 27.9 . . 1 . . . . . . . . 4434 1 1047 . 1 1 99 99 GLN HB2 H 1 1.86 . . 2 . . . . . . . . 4434 1 1048 . 1 1 99 99 GLN HB3 H 1 1.96 . . 2 . . . . . . . . 4434 1 1049 . 1 1 99 99 GLN CG C 13 33.2 . . 1 . . . . . . . . 4434 1 1050 . 1 1 99 99 GLN HG2 H 1 2.07 . . 2 . . . . . . . . 4434 1 1051 . 1 1 99 99 GLN HG3 H 1 1.57 . . 2 . . . . . . . . 4434 1 1052 . 1 1 99 99 GLN NE2 N 15 110.1 . . 1 . . . . . . . . 4434 1 1053 . 1 1 99 99 GLN HE21 H 1 6.75 . . 2 . . . . . . . . 4434 1 1054 . 1 1 99 99 GLN HE22 H 1 6.70 . . 2 . . . . . . . . 4434 1 1055 . 1 1 100 100 HIS N N 15 118.0 . . 1 . . . . . . . . 4434 1 1056 . 1 1 100 100 HIS H H 1 8.12 . . 1 . . . . . . . . 4434 1 1057 . 1 1 100 100 HIS CA C 13 57.8 . . 1 . . . . . . . . 4434 1 1058 . 1 1 100 100 HIS HA H 1 4.57 . . 1 . . . . . . . . 4434 1 1059 . 1 1 100 100 HIS CB C 13 30.4 . . 1 . . . . . . . . 4434 1 1060 . 1 1 100 100 HIS HB2 H 1 3.31 . . 2 . . . . . . . . 4434 1 1061 . 1 1 100 100 HIS HB3 H 1 3.28 . . 2 . . . . . . . . 4434 1 1062 . 1 1 100 100 HIS CD2 C 13 120.8 . . 1 . . . . . . . . 4434 1 1063 . 1 1 100 100 HIS HD2 H 1 7.34 . . 1 . . . . . . . . 4434 1 1064 . 1 1 101 101 THR N N 15 113.8 . . 1 . . . . . . . . 4434 1 1065 . 1 1 101 101 THR H H 1 8.21 . . 1 . . . . . . . . 4434 1 1066 . 1 1 101 101 THR CA C 13 65.1 . . 1 . . . . . . . . 4434 1 1067 . 1 1 101 101 THR HA H 1 4.17 . . 1 . . . . . . . . 4434 1 1068 . 1 1 101 101 THR CB C 13 69.0 . . 1 . . . . . . . . 4434 1 1069 . 1 1 101 101 THR HB H 1 4.41 . . 1 . . . . . . . . 4434 1 1070 . 1 1 101 101 THR HG21 H 1 1.22 . . 1 . . . . . . . . 4434 1 1071 . 1 1 101 101 THR HG22 H 1 1.22 . . 1 . . . . . . . . 4434 1 1072 . 1 1 101 101 THR HG23 H 1 1.22 . . 1 . . . . . . . . 4434 1 1073 . 1 1 101 101 THR CG2 C 13 21.2 . . 1 . . . . . . . . 4434 1 1074 . 1 1 102 102 VAL N N 15 122.2 . . 1 . . . . . . . . 4434 1 1075 . 1 1 102 102 VAL H H 1 7.99 . . 1 . . . . . . . . 4434 1 1076 . 1 1 102 102 VAL CA C 13 64.9 . . 1 . . . . . . . . 4434 1 1077 . 1 1 102 102 VAL HA H 1 3.98 . . 1 . . . . . . . . 4434 1 1078 . 1 1 102 102 VAL CB C 13 31.9 . . 1 . . . . . . . . 4434 1 1079 . 1 1 102 102 VAL HB H 1 2.19 . . 1 . . . . . . . . 4434 1 1080 . 1 1 102 102 VAL HG11 H 1 1.01 . . 2 . . . . . . . . 4434 1 1081 . 1 1 102 102 VAL HG12 H 1 1.01 . . 2 . . . . . . . . 4434 1 1082 . 1 1 102 102 VAL HG13 H 1 1.01 . . 2 . . . . . . . . 4434 1 1083 . 1 1 102 102 VAL HG21 H 1 0.94 . . 2 . . . . . . . . 4434 1 1084 . 1 1 102 102 VAL HG22 H 1 0.94 . . 2 . . . . . . . . 4434 1 1085 . 1 1 102 102 VAL HG23 H 1 0.94 . . 2 . . . . . . . . 4434 1 1086 . 1 1 102 102 VAL CG1 C 13 21.2 . . 1 . . . . . . . . 4434 1 1087 . 1 1 102 102 VAL CG2 C 13 20.9 . . 1 . . . . . . . . 4434 1 1088 . 1 1 103 103 THR N N 15 115.0 . . 1 . . . . . . . . 4434 1 1089 . 1 1 103 103 THR H H 1 8.07 . . 1 . . . . . . . . 4434 1 1090 . 1 1 103 103 THR CA C 13 63.4 . . 1 . . . . . . . . 4434 1 1091 . 1 1 103 103 THR HA H 1 4.23 . . 1 . . . . . . . . 4434 1 1092 . 1 1 103 103 THR CB C 13 69.1 . . 1 . . . . . . . . 4434 1 1093 . 1 1 103 103 THR HB H 1 4.25 . . 1 . . . . . . . . 4434 1 1094 . 1 1 103 103 THR HG21 H 1 1.25 . . 1 . . . . . . . . 4434 1 1095 . 1 1 103 103 THR HG22 H 1 1.25 . . 1 . . . . . . . . 4434 1 1096 . 1 1 103 103 THR HG23 H 1 1.25 . . 1 . . . . . . . . 4434 1 1097 . 1 1 103 103 THR CG2 C 13 21.4 . . 1 . . . . . . . . 4434 1 1098 . 1 1 104 104 THR N N 15 114.9 . . 1 . . . . . . . . 4434 1 1099 . 1 1 104 104 THR H H 1 8.00 . . 1 . . . . . . . . 4434 1 1100 . 1 1 104 104 THR CA C 13 63.7 . . 1 . . . . . . . . 4434 1 1101 . 1 1 104 104 THR HA H 1 4.20 . . 1 . . . . . . . . 4434 1 1102 . 1 1 104 104 THR CB C 13 68.9 . . 1 . . . . . . . . 4434 1 1103 . 1 1 104 104 THR HB H 1 4.15 . . 1 . . . . . . . . 4434 1 1104 . 1 1 104 104 THR HG21 H 1 1.00 . . 1 . . . . . . . . 4434 1 1105 . 1 1 104 104 THR HG22 H 1 1.00 . . 1 . . . . . . . . 4434 1 1106 . 1 1 104 104 THR HG23 H 1 1.00 . . 1 . . . . . . . . 4434 1 1107 . 1 1 104 104 THR CG2 C 13 21.2 . . 1 . . . . . . . . 4434 1 1108 . 1 1 105 105 THR N N 15 116.5 . . 1 . . . . . . . . 4434 1 1109 . 1 1 105 105 THR H H 1 8.18 . . 1 . . . . . . . . 4434 1 1110 . 1 1 105 105 THR CA C 13 63.5 . . 1 . . . . . . . . 4434 1 1111 . 1 1 105 105 THR HA H 1 4.38 . . 1 . . . . . . . . 4434 1 1112 . 1 1 105 105 THR CB C 13 69.1 . . 1 . . . . . . . . 4434 1 1113 . 1 1 105 105 THR HB H 1 4.34 . . 1 . . . . . . . . 4434 1 1114 . 1 1 105 105 THR HG21 H 1 1.23 . . 1 . . . . . . . . 4434 1 1115 . 1 1 105 105 THR HG22 H 1 1.23 . . 1 . . . . . . . . 4434 1 1116 . 1 1 105 105 THR HG23 H 1 1.23 . . 1 . . . . . . . . 4434 1 1117 . 1 1 105 105 THR CG2 C 13 21.2 . . 1 . . . . . . . . 4434 1 1118 . 1 1 106 106 THR N N 15 116.1 . . 1 . . . . . . . . 4434 1 1119 . 1 1 106 106 THR H H 1 7.94 . . 1 . . . . . . . . 4434 1 1120 . 1 1 106 106 THR CA C 13 63.4 . . 1 . . . . . . . . 4434 1 1121 . 1 1 106 106 THR HA H 1 4.22 . . 1 . . . . . . . . 4434 1 1122 . 1 1 106 106 THR CB C 13 69.3 . . 1 . . . . . . . . 4434 1 1123 . 1 1 106 106 THR HB H 1 4.25 . . 1 . . . . . . . . 4434 1 1124 . 1 1 106 106 THR HG21 H 1 1.24 . . 1 . . . . . . . . 4434 1 1125 . 1 1 106 106 THR HG22 H 1 1.24 . . 1 . . . . . . . . 4434 1 1126 . 1 1 106 106 THR HG23 H 1 1.24 . . 1 . . . . . . . . 4434 1 1127 . 1 1 106 106 THR CG2 C 13 21.4 . . 1 . . . . . . . . 4434 1 1128 . 1 1 107 107 LYS N N 15 121.1 . . 1 . . . . . . . . 4434 1 1129 . 1 1 107 107 LYS H H 1 7.86 . . 1 . . . . . . . . 4434 1 1130 . 1 1 107 107 LYS CA C 13 56.4 . . 1 . . . . . . . . 4434 1 1131 . 1 1 107 107 LYS HA H 1 4.30 . . 1 . . . . . . . . 4434 1 1132 . 1 1 107 107 LYS CB C 13 32.3 . . 1 . . . . . . . . 4434 1 1133 . 1 1 107 107 LYS HB2 H 1 1.80 . . 2 . . . . . . . . 4434 1 1134 . 1 1 107 107 LYS HB3 H 1 1.93 . . 2 . . . . . . . . 4434 1 1135 . 1 1 107 107 LYS CG C 13 24.6 . . 1 . . . . . . . . 4434 1 1136 . 1 1 107 107 LYS HG2 H 1 1.47 . . 2 . . . . . . . . 4434 1 1137 . 1 1 107 107 LYS HG3 H 1 1.43 . . 2 . . . . . . . . 4434 1 1138 . 1 1 107 107 LYS CD C 13 28.7 . . 1 . . . . . . . . 4434 1 1139 . 1 1 107 107 LYS HD2 H 1 1.65 . . 1 . . . . . . . . 4434 1 1140 . 1 1 107 107 LYS HD3 H 1 1.65 . . 1 . . . . . . . . 4434 1 1141 . 1 1 107 107 LYS CE C 13 41.8 . . 1 . . . . . . . . 4434 1 1142 . 1 1 107 107 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 4434 1 1143 . 1 1 107 107 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 4434 1 1144 . 1 1 108 108 GLY N N 15 108.9 . . 1 . . . . . . . . 4434 1 1145 . 1 1 108 108 GLY H H 1 8.13 . . 1 . . . . . . . . 4434 1 1146 . 1 1 108 108 GLY CA C 13 45.3 . . 1 . . . . . . . . 4434 1 1147 . 1 1 108 108 GLY HA2 H 1 4.05 . . 2 . . . . . . . . 4434 1 1148 . 1 1 108 108 GLY HA3 H 1 3.84 . . 2 . . . . . . . . 4434 1 1149 . 1 1 109 109 GLU N N 15 120.0 . . 1 . . . . . . . . 4434 1 1150 . 1 1 109 109 GLU H H 1 7.73 . . 1 . . . . . . . . 4434 1 1151 . 1 1 109 109 GLU CA C 13 55.5 . . 1 . . . . . . . . 4434 1 1152 . 1 1 109 109 GLU HA H 1 4.24 . . 1 . . . . . . . . 4434 1 1153 . 1 1 109 109 GLU CB C 13 30.5 . . 1 . . . . . . . . 4434 1 1154 . 1 1 109 109 GLU HB2 H 1 1.64 . . 1 . . . . . . . . 4434 1 1155 . 1 1 109 109 GLU HB3 H 1 1.64 . . 1 . . . . . . . . 4434 1 1156 . 1 1 109 109 GLU CG C 13 35.4 . . 1 . . . . . . . . 4434 1 1157 . 1 1 109 109 GLU HG2 H 1 2.09 . . 1 . . . . . . . . 4434 1 1158 . 1 1 109 109 GLU HG3 H 1 2.09 . . 1 . . . . . . . . 4434 1 1159 . 1 1 110 110 ASN N N 15 119.7 . . 1 . . . . . . . . 4434 1 1160 . 1 1 110 110 ASN H H 1 8.45 . . 1 . . . . . . . . 4434 1 1161 . 1 1 110 110 ASN CA C 13 52.7 . . 1 . . . . . . . . 4434 1 1162 . 1 1 110 110 ASN HA H 1 4.64 . . 1 . . . . . . . . 4434 1 1163 . 1 1 110 110 ASN CB C 13 40.0 . . 1 . . . . . . . . 4434 1 1164 . 1 1 110 110 ASN HB2 H 1 2.68 . . 2 . . . . . . . . 4434 1 1165 . 1 1 110 110 ASN HB3 H 1 2.60 . . 2 . . . . . . . . 4434 1 1166 . 1 1 110 110 ASN ND2 N 15 112.8 . . 1 . . . . . . . . 4434 1 1167 . 1 1 110 110 ASN HD21 H 1 7.53 . . 2 . . . . . . . . 4434 1 1168 . 1 1 110 110 ASN HD22 H 1 6.82 . . 2 . . . . . . . . 4434 1 1169 . 1 1 111 111 PHE N N 15 121.9 . . 1 . . . . . . . . 4434 1 1170 . 1 1 111 111 PHE H H 1 8.66 . . 1 . . . . . . . . 4434 1 1171 . 1 1 111 111 PHE CA C 13 56.6 . . 1 . . . . . . . . 4434 1 1172 . 1 1 111 111 PHE HA H 1 5.26 . . 1 . . . . . . . . 4434 1 1173 . 1 1 111 111 PHE CB C 13 39.8 . . 1 . . . . . . . . 4434 1 1174 . 1 1 111 111 PHE HB2 H 1 2.94 . . 2 . . . . . . . . 4434 1 1175 . 1 1 111 111 PHE HB3 H 1 3.15 . . 2 . . . . . . . . 4434 1 1176 . 1 1 111 111 PHE HD1 H 1 7.32 . . 1 . . . . . . . . 4434 1 1177 . 1 1 111 111 PHE HD2 H 1 7.32 . . 1 . . . . . . . . 4434 1 1178 . 1 1 111 111 PHE HE1 H 1 7.45 . . 1 . . . . . . . . 4434 1 1179 . 1 1 111 111 PHE HE2 H 1 7.45 . . 1 . . . . . . . . 4434 1 1180 . 1 1 111 111 PHE CD1 C 13 132.2 . . 1 . . . . . . . . 4434 1 1181 . 1 1 111 111 PHE CE1 C 13 130.3 . . 1 . . . . . . . . 4434 1 1182 . 1 1 112 112 THR N N 15 116.2 . . 1 . . . . . . . . 4434 1 1183 . 1 1 112 112 THR H H 1 9.49 . . 1 . . . . . . . . 4434 1 1184 . 1 1 112 112 THR CA C 13 60.4 . . 1 . . . . . . . . 4434 1 1185 . 1 1 112 112 THR HA H 1 4.60 . . 1 . . . . . . . . 4434 1 1186 . 1 1 112 112 THR CB C 13 71.9 . . 1 . . . . . . . . 4434 1 1187 . 1 1 112 112 THR HB H 1 4.80 . . 1 . . . . . . . . 4434 1 1188 . 1 1 112 112 THR HG21 H 1 1.41 . . 1 . . . . . . . . 4434 1 1189 . 1 1 112 112 THR HG22 H 1 1.41 . . 1 . . . . . . . . 4434 1 1190 . 1 1 112 112 THR HG23 H 1 1.41 . . 1 . . . . . . . . 4434 1 1191 . 1 1 112 112 THR CG2 C 13 21.5 . . 1 . . . . . . . . 4434 1 1192 . 1 1 113 113 GLU N N 15 119.9 . . 1 . . . . . . . . 4434 1 1193 . 1 1 113 113 GLU H H 1 9.11 . . 1 . . . . . . . . 4434 1 1194 . 1 1 113 113 GLU CA C 13 59.4 . . 1 . . . . . . . . 4434 1 1195 . 1 1 113 113 GLU HA H 1 4.07 . . 1 . . . . . . . . 4434 1 1196 . 1 1 113 113 GLU CB C 13 28.3 . . 1 . . . . . . . . 4434 1 1197 . 1 1 113 113 GLU HB2 H 1 2.13 . . 2 . . . . . . . . 4434 1 1198 . 1 1 113 113 GLU HB3 H 1 2.05 . . 2 . . . . . . . . 4434 1 1199 . 1 1 113 113 GLU CG C 13 35.3 . . 1 . . . . . . . . 4434 1 1200 . 1 1 113 113 GLU HG2 H 1 2.36 . . 2 . . . . . . . . 4434 1 1201 . 1 1 113 113 GLU HG3 H 1 2.43 . . 2 . . . . . . . . 4434 1 1202 . 1 1 114 114 THR N N 15 116.2 . . 1 . . . . . . . . 4434 1 1203 . 1 1 114 114 THR H H 1 7.96 . . 1 . . . . . . . . 4434 1 1204 . 1 1 114 114 THR CA C 13 66.7 . . 1 . . . . . . . . 4434 1 1205 . 1 1 114 114 THR HA H 1 3.77 . . 1 . . . . . . . . 4434 1 1206 . 1 1 114 114 THR CB C 13 68.4 . . 1 . . . . . . . . 4434 1 1207 . 1 1 114 114 THR HB H 1 3.70 . . 1 . . . . . . . . 4434 1 1208 . 1 1 114 114 THR HG21 H 1 0.69 . . 1 . . . . . . . . 4434 1 1209 . 1 1 114 114 THR HG22 H 1 0.69 . . 1 . . . . . . . . 4434 1 1210 . 1 1 114 114 THR HG23 H 1 0.69 . . 1 . . . . . . . . 4434 1 1211 . 1 1 114 114 THR CG2 C 13 20.8 . . 1 . . . . . . . . 4434 1 1212 . 1 1 115 115 ASP N N 15 120.2 . . 1 . . . . . . . . 4434 1 1213 . 1 1 115 115 ASP H H 1 7.48 . . 1 . . . . . . . . 4434 1 1214 . 1 1 115 115 ASP CA C 13 57.8 . . 1 . . . . . . . . 4434 1 1215 . 1 1 115 115 ASP HA H 1 4.55 . . 1 . . . . . . . . 4434 1 1216 . 1 1 115 115 ASP CB C 13 41.4 . . 1 . . . . . . . . 4434 1 1217 . 1 1 115 115 ASP HB2 H 1 3.27 . . 2 . . . . . . . . 4434 1 1218 . 1 1 115 115 ASP HB3 H 1 2.56 . . 2 . . . . . . . . 4434 1 1219 . 1 1 116 116 VAL N N 15 119.7 . . 1 . . . . . . . . 4434 1 1220 . 1 1 116 116 VAL H H 1 8.22 . . 1 . . . . . . . . 4434 1 1221 . 1 1 116 116 VAL CA C 13 67.5 . . 1 . . . . . . . . 4434 1 1222 . 1 1 116 116 VAL HA H 1 3.29 . . 1 . . . . . . . . 4434 1 1223 . 1 1 116 116 VAL CB C 13 31.4 . . 1 . . . . . . . . 4434 1 1224 . 1 1 116 116 VAL HB H 1 2.10 . . 1 . . . . . . . . 4434 1 1225 . 1 1 116 116 VAL HG11 H 1 0.88 . . 2 . . . . . . . . 4434 1 1226 . 1 1 116 116 VAL HG12 H 1 0.88 . . 2 . . . . . . . . 4434 1 1227 . 1 1 116 116 VAL HG13 H 1 0.88 . . 2 . . . . . . . . 4434 1 1228 . 1 1 116 116 VAL HG21 H 1 0.97 . . 2 . . . . . . . . 4434 1 1229 . 1 1 116 116 VAL HG22 H 1 0.97 . . 2 . . . . . . . . 4434 1 1230 . 1 1 116 116 VAL HG23 H 1 0.97 . . 2 . . . . . . . . 4434 1 1231 . 1 1 116 116 VAL CG1 C 13 20.9 . . 1 . . . . . . . . 4434 1 1232 . 1 1 116 116 VAL CG2 C 13 22.7 . . 1 . . . . . . . . 4434 1 1233 . 1 1 117 117 LYS N N 15 119.2 . . 1 . . . . . . . . 4434 1 1234 . 1 1 117 117 LYS H H 1 7.74 . . 1 . . . . . . . . 4434 1 1235 . 1 1 117 117 LYS CA C 13 59.2 . . 1 . . . . . . . . 4434 1 1236 . 1 1 117 117 LYS HA H 1 4.04 . . 1 . . . . . . . . 4434 1 1237 . 1 1 117 117 LYS CB C 13 31.9 . . 1 . . . . . . . . 4434 1 1238 . 1 1 117 117 LYS HB2 H 1 1.95 . . 2 . . . . . . . . 4434 1 1239 . 1 1 117 117 LYS HB3 H 1 1.90 . . 2 . . . . . . . . 4434 1 1240 . 1 1 117 117 LYS CG C 13 25.0 . . 1 . . . . . . . . 4434 1 1241 . 1 1 117 117 LYS HG2 H 1 1.44 . . 2 . . . . . . . . 4434 1 1242 . 1 1 117 117 LYS HG3 H 1 1.62 . . 2 . . . . . . . . 4434 1 1243 . 1 1 117 117 LYS CD C 13 28.8 . . 1 . . . . . . . . 4434 1 1244 . 1 1 117 117 LYS HD2 H 1 1.68 . . 1 . . . . . . . . 4434 1 1245 . 1 1 117 117 LYS HD3 H 1 1.68 . . 1 . . . . . . . . 4434 1 1246 . 1 1 117 117 LYS CE C 13 41.6 . . 1 . . . . . . . . 4434 1 1247 . 1 1 117 117 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 4434 1 1248 . 1 1 117 117 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 4434 1 1249 . 1 1 118 118 MET N N 15 118.7 . . 1 . . . . . . . . 4434 1 1250 . 1 1 118 118 MET H H 1 8.22 . . 1 . . . . . . . . 4434 1 1251 . 1 1 118 118 MET CA C 13 60.0 . . 1 . . . . . . . . 4434 1 1252 . 1 1 118 118 MET HA H 1 4.13 . . 1 . . . . . . . . 4434 1 1253 . 1 1 118 118 MET CB C 13 32.5 . . 1 . . . . . . . . 4434 1 1254 . 1 1 118 118 MET HB2 H 1 2.29 . . 2 . . . . . . . . 4434 1 1255 . 1 1 118 118 MET HB3 H 1 1.93 . . 2 . . . . . . . . 4434 1 1256 . 1 1 118 118 MET CG C 13 34.0 . . 1 . . . . . . . . 4434 1 1257 . 1 1 118 118 MET HG2 H 1 2.15 . . 2 . . . . . . . . 4434 1 1258 . 1 1 118 118 MET HG3 H 1 2.92 . . 2 . . . . . . . . 4434 1 1259 . 1 1 118 118 MET HE1 H 1 1.46 . . 1 . . . . . . . . 4434 1 1260 . 1 1 118 118 MET HE2 H 1 1.46 . . 1 . . . . . . . . 4434 1 1261 . 1 1 118 118 MET HE3 H 1 1.46 . . 1 . . . . . . . . 4434 1 1262 . 1 1 118 118 MET CE C 13 18.0 . . 1 . . . . . . . . 4434 1 1263 . 1 1 119 119 MET N N 15 118.4 . . 1 . . . . . . . . 4434 1 1264 . 1 1 119 119 MET H H 1 8.75 . . 1 . . . . . . . . 4434 1 1265 . 1 1 119 119 MET CA C 13 59.4 . . 1 . . . . . . . . 4434 1 1266 . 1 1 119 119 MET HA H 1 3.55 . . 1 . . . . . . . . 4434 1 1267 . 1 1 119 119 MET CB C 13 33.3 . . 1 . . . . . . . . 4434 1 1268 . 1 1 119 119 MET HB2 H 1 1.92 . . 2 . . . . . . . . 4434 1 1269 . 1 1 119 119 MET HB3 H 1 1.66 . . 2 . . . . . . . . 4434 1 1270 . 1 1 119 119 MET CG C 13 32.4 . . 1 . . . . . . . . 4434 1 1271 . 1 1 119 119 MET HG2 H 1 1.72 . . 2 . . . . . . . . 4434 1 1272 . 1 1 119 119 MET HG3 H 1 1.92 . . 2 . . . . . . . . 4434 1 1273 . 1 1 119 119 MET HE1 H 1 1.37 . . 1 . . . . . . . . 4434 1 1274 . 1 1 119 119 MET HE2 H 1 1.37 . . 1 . . . . . . . . 4434 1 1275 . 1 1 119 119 MET HE3 H 1 1.37 . . 1 . . . . . . . . 4434 1 1276 . 1 1 119 119 MET CE C 13 16.0 . . 1 . . . . . . . . 4434 1 1277 . 1 1 120 120 GLU N N 15 118.5 . . 1 . . . . . . . . 4434 1 1278 . 1 1 120 120 GLU H H 1 8.40 . . 1 . . . . . . . . 4434 1 1279 . 1 1 120 120 GLU CA C 13 60.3 . . 1 . . . . . . . . 4434 1 1280 . 1 1 120 120 GLU HA H 1 3.66 . . 1 . . . . . . . . 4434 1 1281 . 1 1 120 120 GLU CB C 13 27.7 . . 1 . . . . . . . . 4434 1 1282 . 1 1 120 120 GLU HB2 H 1 2.07 . . 2 . . . . . . . . 4434 1 1283 . 1 1 120 120 GLU HB3 H 1 2.21 . . 2 . . . . . . . . 4434 1 1284 . 1 1 120 120 GLU CG C 13 35.0 . . 1 . . . . . . . . 4434 1 1285 . 1 1 120 120 GLU HG2 H 1 2.22 . . 2 . . . . . . . . 4434 1 1286 . 1 1 120 120 GLU HG3 H 1 2.56 . . 2 . . . . . . . . 4434 1 1287 . 1 1 121 121 ARG N N 15 116.9 . . 1 . . . . . . . . 4434 1 1288 . 1 1 121 121 ARG H H 1 7.31 . . 1 . . . . . . . . 4434 1 1289 . 1 1 121 121 ARG CA C 13 58.3 . . 1 . . . . . . . . 4434 1 1290 . 1 1 121 121 ARG HA H 1 4.19 . . 1 . . . . . . . . 4434 1 1291 . 1 1 121 121 ARG CB C 13 29.7 . . 1 . . . . . . . . 4434 1 1292 . 1 1 121 121 ARG HB2 H 1 2.09 . . 2 . . . . . . . . 4434 1 1293 . 1 1 121 121 ARG HB3 H 1 1.94 . . 2 . . . . . . . . 4434 1 1294 . 1 1 121 121 ARG CG C 13 26.7 . . 1 . . . . . . . . 4434 1 1295 . 1 1 121 121 ARG HG2 H 1 1.74 . . 2 . . . . . . . . 4434 1 1296 . 1 1 121 121 ARG HG3 H 1 1.83 . . 2 . . . . . . . . 4434 1 1297 . 1 1 121 121 ARG CD C 13 42.3 . . 1 . . . . . . . . 4434 1 1298 . 1 1 121 121 ARG HD2 H 1 3.24 . . 2 . . . . . . . . 4434 1 1299 . 1 1 121 121 ARG HD3 H 1 3.14 . . 2 . . . . . . . . 4434 1 1300 . 1 1 121 121 ARG NE N 15 83.1 . . 1 . . . . . . . . 4434 1 1301 . 1 1 121 121 ARG HE H 1 7.27 . . 1 . . . . . . . . 4434 1 1302 . 1 1 122 122 VAL N N 15 119.1 . . 1 . . . . . . . . 4434 1 1303 . 1 1 122 122 VAL H H 1 8.28 . . 1 . . . . . . . . 4434 1 1304 . 1 1 122 122 VAL CA C 13 65.7 . . 1 . . . . . . . . 4434 1 1305 . 1 1 122 122 VAL HA H 1 3.79 . . 1 . . . . . . . . 4434 1 1306 . 1 1 122 122 VAL CB C 13 32.0 . . 1 . . . . . . . . 4434 1 1307 . 1 1 122 122 VAL HB H 1 2.32 . . 1 . . . . . . . . 4434 1 1308 . 1 1 122 122 VAL HG11 H 1 1.26 . . 2 . . . . . . . . 4434 1 1309 . 1 1 122 122 VAL HG12 H 1 1.26 . . 2 . . . . . . . . 4434 1 1310 . 1 1 122 122 VAL HG13 H 1 1.26 . . 2 . . . . . . . . 4434 1 1311 . 1 1 122 122 VAL HG21 H 1 1.31 . . 2 . . . . . . . . 4434 1 1312 . 1 1 122 122 VAL HG22 H 1 1.31 . . 2 . . . . . . . . 4434 1 1313 . 1 1 122 122 VAL HG23 H 1 1.31 . . 2 . . . . . . . . 4434 1 1314 . 1 1 122 122 VAL CG1 C 13 20.8 . . 1 . . . . . . . . 4434 1 1315 . 1 1 122 122 VAL CG2 C 13 24.0 . . 1 . . . . . . . . 4434 1 1316 . 1 1 123 123 VAL N N 15 121.3 . . 1 . . . . . . . . 4434 1 1317 . 1 1 123 123 VAL H H 1 9.03 . . 1 . . . . . . . . 4434 1 1318 . 1 1 123 123 VAL CA C 13 66.5 . . 1 . . . . . . . . 4434 1 1319 . 1 1 123 123 VAL HA H 1 3.64 . . 1 . . . . . . . . 4434 1 1320 . 1 1 123 123 VAL CB C 13 31.1 . . 1 . . . . . . . . 4434 1 1321 . 1 1 123 123 VAL HB H 1 2.26 . . 1 . . . . . . . . 4434 1 1322 . 1 1 123 123 VAL HG11 H 1 1.21 . . 2 . . . . . . . . 4434 1 1323 . 1 1 123 123 VAL HG12 H 1 1.21 . . 2 . . . . . . . . 4434 1 1324 . 1 1 123 123 VAL HG13 H 1 1.21 . . 2 . . . . . . . . 4434 1 1325 . 1 1 123 123 VAL HG21 H 1 0.94 . . 2 . . . . . . . . 4434 1 1326 . 1 1 123 123 VAL HG22 H 1 0.94 . . 2 . . . . . . . . 4434 1 1327 . 1 1 123 123 VAL HG23 H 1 0.94 . . 2 . . . . . . . . 4434 1 1328 . 1 1 123 123 VAL CG1 C 13 24.6 . . 1 . . . . . . . . 4434 1 1329 . 1 1 123 123 VAL CG2 C 13 24.1 . . 1 . . . . . . . . 4434 1 1330 . 1 1 124 124 GLU N N 15 120.3 . . 1 . . . . . . . . 4434 1 1331 . 1 1 124 124 GLU H H 1 8.06 . . 1 . . . . . . . . 4434 1 1332 . 1 1 124 124 GLU CA C 13 60.9 . . 1 . . . . . . . . 4434 1 1333 . 1 1 124 124 GLU HA H 1 3.59 . . 1 . . . . . . . . 4434 1 1334 . 1 1 124 124 GLU CB C 13 28.8 . . 1 . . . . . . . . 4434 1 1335 . 1 1 124 124 GLU HB2 H 1 2.15 . . 2 . . . . . . . . 4434 1 1336 . 1 1 124 124 GLU HB3 H 1 2.22 . . 2 . . . . . . . . 4434 1 1337 . 1 1 124 124 GLU CG C 13 35.1 . . 1 . . . . . . . . 4434 1 1338 . 1 1 124 124 GLU HG2 H 1 2.20 . . 1 . . . . . . . . 4434 1 1339 . 1 1 124 124 GLU HG3 H 1 2.20 . . 1 . . . . . . . . 4434 1 1340 . 1 1 125 125 GLN N N 15 114.9 . . 1 . . . . . . . . 4434 1 1341 . 1 1 125 125 GLN H H 1 7.18 . . 1 . . . . . . . . 4434 1 1342 . 1 1 125 125 GLN CA C 13 58.8 . . 1 . . . . . . . . 4434 1 1343 . 1 1 125 125 GLN HA H 1 3.97 . . 1 . . . . . . . . 4434 1 1344 . 1 1 125 125 GLN CB C 13 27.7 . . 1 . . . . . . . . 4434 1 1345 . 1 1 125 125 GLN HB2 H 1 2.12 . . 2 . . . . . . . . 4434 1 1346 . 1 1 125 125 GLN HB3 H 1 2.20 . . 2 . . . . . . . . 4434 1 1347 . 1 1 125 125 GLN CG C 13 33.5 . . 1 . . . . . . . . 4434 1 1348 . 1 1 125 125 GLN HG2 H 1 2.41 . . 2 . . . . . . . . 4434 1 1349 . 1 1 125 125 GLN HG3 H 1 2.43 . . 2 . . . . . . . . 4434 1 1350 . 1 1 125 125 GLN NE2 N 15 113.2 . . 1 . . . . . . . . 4434 1 1351 . 1 1 125 125 GLN HE21 H 1 7.54 . . 2 . . . . . . . . 4434 1 1352 . 1 1 125 125 GLN HE22 H 1 6.89 . . 2 . . . . . . . . 4434 1 1353 . 1 1 126 126 MET N N 15 119.2 . . 1 . . . . . . . . 4434 1 1354 . 1 1 126 126 MET H H 1 8.27 . . 1 . . . . . . . . 4434 1 1355 . 1 1 126 126 MET CA C 13 59.7 . . 1 . . . . . . . . 4434 1 1356 . 1 1 126 126 MET HA H 1 4.15 . . 1 . . . . . . . . 4434 1 1357 . 1 1 126 126 MET CB C 13 34.4 . . 1 . . . . . . . . 4434 1 1358 . 1 1 126 126 MET HB2 H 1 2.10 . . 1 . . . . . . . . 4434 1 1359 . 1 1 126 126 MET HB3 H 1 2.10 . . 1 . . . . . . . . 4434 1 1360 . 1 1 126 126 MET CG C 13 32.2 . . 1 . . . . . . . . 4434 1 1361 . 1 1 126 126 MET HG2 H 1 2.46 . . 2 . . . . . . . . 4434 1 1362 . 1 1 126 126 MET HG3 H 1 2.81 . . 2 . . . . . . . . 4434 1 1363 . 1 1 126 126 MET HE1 H 1 1.88 . . 1 . . . . . . . . 4434 1 1364 . 1 1 126 126 MET HE2 H 1 1.88 . . 1 . . . . . . . . 4434 1 1365 . 1 1 126 126 MET HE3 H 1 1.88 . . 1 . . . . . . . . 4434 1 1366 . 1 1 126 126 MET CE C 13 16.3 . . 1 . . . . . . . . 4434 1 1367 . 1 1 127 127 CYS N N 15 119.3 . . 1 . . . . . . . . 4434 1 1368 . 1 1 127 127 CYS H H 1 9.20 . . 1 . . . . . . . . 4434 1 1369 . 1 1 127 127 CYS CA C 13 59.8 . . 1 . . . . . . . . 4434 1 1370 . 1 1 127 127 CYS HA H 1 4.41 . . 1 . . . . . . . . 4434 1 1371 . 1 1 127 127 CYS CB C 13 41.6 . . 1 . . . . . . . . 4434 1 1372 . 1 1 127 127 CYS HB2 H 1 2.86 . . 2 . . . . . . . . 4434 1 1373 . 1 1 127 127 CYS HB3 H 1 3.51 . . 2 . . . . . . . . 4434 1 1374 . 1 1 128 128 ILE N N 15 123.8 . . 1 . . . . . . . . 4434 1 1375 . 1 1 128 128 ILE H H 1 8.23 . . 1 . . . . . . . . 4434 1 1376 . 1 1 128 128 ILE CA C 13 66.6 . . 1 . . . . . . . . 4434 1 1377 . 1 1 128 128 ILE HA H 1 3.55 . . 1 . . . . . . . . 4434 1 1378 . 1 1 128 128 ILE CB C 13 37.9 . . 1 . . . . . . . . 4434 1 1379 . 1 1 128 128 ILE HB H 1 2.01 . . 1 . . . . . . . . 4434 1 1380 . 1 1 128 128 ILE HG21 H 1 0.87 . . 1 . . . . . . . . 4434 1 1381 . 1 1 128 128 ILE HG22 H 1 0.87 . . 1 . . . . . . . . 4434 1 1382 . 1 1 128 128 ILE HG23 H 1 0.87 . . 1 . . . . . . . . 4434 1 1383 . 1 1 128 128 ILE CG2 C 13 16.9 . . 1 . . . . . . . . 4434 1 1384 . 1 1 128 128 ILE CG1 C 13 30.6 . . 1 . . . . . . . . 4434 1 1385 . 1 1 128 128 ILE HG12 H 1 1.96 . . 2 . . . . . . . . 4434 1 1386 . 1 1 128 128 ILE HG13 H 1 0.83 . . 2 . . . . . . . . 4434 1 1387 . 1 1 128 128 ILE HD11 H 1 0.83 . . 1 . . . . . . . . 4434 1 1388 . 1 1 128 128 ILE HD12 H 1 0.83 . . 1 . . . . . . . . 4434 1 1389 . 1 1 128 128 ILE HD13 H 1 0.83 . . 1 . . . . . . . . 4434 1 1390 . 1 1 128 128 ILE CD1 C 13 13.9 . . 1 . . . . . . . . 4434 1 1391 . 1 1 129 129 THR N N 15 118.6 . . 1 . . . . . . . . 4434 1 1392 . 1 1 129 129 THR H H 1 8.11 . . 1 . . . . . . . . 4434 1 1393 . 1 1 129 129 THR CA C 13 66.9 . . 1 . . . . . . . . 4434 1 1394 . 1 1 129 129 THR HA H 1 3.90 . . 1 . . . . . . . . 4434 1 1395 . 1 1 129 129 THR CB C 13 68.1 . . 1 . . . . . . . . 4434 1 1396 . 1 1 129 129 THR HB H 1 4.32 . . 1 . . . . . . . . 4434 1 1397 . 1 1 129 129 THR HG21 H 1 1.20 . . 1 . . . . . . . . 4434 1 1398 . 1 1 129 129 THR HG22 H 1 1.20 . . 1 . . . . . . . . 4434 1 1399 . 1 1 129 129 THR HG23 H 1 1.20 . . 1 . . . . . . . . 4434 1 1400 . 1 1 129 129 THR CG2 C 13 21.8 . . 1 . . . . . . . . 4434 1 1401 . 1 1 130 130 GLN N N 15 122.3 . . 1 . . . . . . . . 4434 1 1402 . 1 1 130 130 GLN H H 1 8.76 . . 1 . . . . . . . . 4434 1 1403 . 1 1 130 130 GLN CA C 13 58.3 . . 1 . . . . . . . . 4434 1 1404 . 1 1 130 130 GLN HA H 1 3.61 . . 1 . . . . . . . . 4434 1 1405 . 1 1 130 130 GLN CB C 13 27.9 . . 1 . . . . . . . . 4434 1 1406 . 1 1 130 130 GLN HB2 H 1 2.29 . . 2 . . . . . . . . 4434 1 1407 . 1 1 130 130 GLN HB3 H 1 2.13 . . 2 . . . . . . . . 4434 1 1408 . 1 1 130 130 GLN CG C 13 32.7 . . 1 . . . . . . . . 4434 1 1409 . 1 1 130 130 GLN HG2 H 1 1.75 . . 2 . . . . . . . . 4434 1 1410 . 1 1 130 130 GLN HG3 H 1 1.65 . . 2 . . . . . . . . 4434 1 1411 . 1 1 130 130 GLN NE2 N 15 115.7 . . 1 . . . . . . . . 4434 1 1412 . 1 1 130 130 GLN HE21 H 1 7.34 . . 2 . . . . . . . . 4434 1 1413 . 1 1 130 130 GLN HE22 H 1 6.73 . . 2 . . . . . . . . 4434 1 1414 . 1 1 131 131 TYR N N 15 121.4 . . 1 . . . . . . . . 4434 1 1415 . 1 1 131 131 TYR H H 1 8.55 . . 1 . . . . . . . . 4434 1 1416 . 1 1 131 131 TYR CA C 13 61.9 . . 1 . . . . . . . . 4434 1 1417 . 1 1 131 131 TYR HA H 1 2.93 . . 1 . . . . . . . . 4434 1 1418 . 1 1 131 131 TYR CB C 13 36.9 . . 1 . . . . . . . . 4434 1 1419 . 1 1 131 131 TYR HB2 H 1 3.09 . . 2 . . . . . . . . 4434 1 1420 . 1 1 131 131 TYR HB3 H 1 2.71 . . 2 . . . . . . . . 4434 1 1421 . 1 1 131 131 TYR HD1 H 1 6.20 . . 1 . . . . . . . . 4434 1 1422 . 1 1 131 131 TYR HD2 H 1 6.20 . . 1 . . . . . . . . 4434 1 1423 . 1 1 131 131 TYR HE1 H 1 6.55 . . 1 . . . . . . . . 4434 1 1424 . 1 1 131 131 TYR HE2 H 1 6.55 . . 1 . . . . . . . . 4434 1 1425 . 1 1 131 131 TYR CD1 C 13 133.0 . . 1 . . . . . . . . 4434 1 1426 . 1 1 131 131 TYR CE1 C 13 118.1 . . 1 . . . . . . . . 4434 1 1427 . 1 1 132 132 GLU N N 15 120.5 . . 1 . . . . . . . . 4434 1 1428 . 1 1 132 132 GLU H H 1 8.26 . . 1 . . . . . . . . 4434 1 1429 . 1 1 132 132 GLU CA C 13 58.9 . . 1 . . . . . . . . 4434 1 1430 . 1 1 132 132 GLU HA H 1 3.73 . . 1 . . . . . . . . 4434 1 1431 . 1 1 132 132 GLU CB C 13 27.9 . . 1 . . . . . . . . 4434 1 1432 . 1 1 132 132 GLU HB2 H 1 2.35 . . 2 . . . . . . . . 4434 1 1433 . 1 1 132 132 GLU HB3 H 1 2.05 . . 2 . . . . . . . . 4434 1 1434 . 1 1 132 132 GLU CG C 13 34.6 . . 1 . . . . . . . . 4434 1 1435 . 1 1 132 132 GLU HG2 H 1 2.42 . . 2 . . . . . . . . 4434 1 1436 . 1 1 132 132 GLU HG3 H 1 2.64 . . 2 . . . . . . . . 4434 1 1437 . 1 1 133 133 ARG N N 15 119.3 . . 1 . . . . . . . . 4434 1 1438 . 1 1 133 133 ARG H H 1 7.97 . . 1 . . . . . . . . 4434 1 1439 . 1 1 133 133 ARG CA C 13 58.9 . . 1 . . . . . . . . 4434 1 1440 . 1 1 133 133 ARG HA H 1 3.96 . . 1 . . . . . . . . 4434 1 1441 . 1 1 133 133 ARG CB C 13 30.1 . . 1 . . . . . . . . 4434 1 1442 . 1 1 133 133 ARG HB2 H 1 1.81 . . 2 . . . . . . . . 4434 1 1443 . 1 1 133 133 ARG HB3 H 1 1.94 . . 2 . . . . . . . . 4434 1 1444 . 1 1 133 133 ARG CG C 13 26.6 . . 1 . . . . . . . . 4434 1 1445 . 1 1 133 133 ARG HG2 H 1 1.58 . . 2 . . . . . . . . 4434 1 1446 . 1 1 133 133 ARG HG3 H 1 1.81 . . 2 . . . . . . . . 4434 1 1447 . 1 1 133 133 ARG CD C 13 44.0 . . 1 . . . . . . . . 4434 1 1448 . 1 1 133 133 ARG HD2 H 1 2.90 . . 2 . . . . . . . . 4434 1 1449 . 1 1 133 133 ARG HD3 H 1 3.05 . . 2 . . . . . . . . 4434 1 1450 . 1 1 133 133 ARG NE N 15 84.0 . . 1 . . . . . . . . 4434 1 1451 . 1 1 133 133 ARG HE H 1 7.23 . . 1 . . . . . . . . 4434 1 1452 . 1 1 134 134 GLU N N 15 118.6 . . 1 . . . . . . . . 4434 1 1453 . 1 1 134 134 GLU H H 1 8.35 . . 1 . . . . . . . . 4434 1 1454 . 1 1 134 134 GLU CA C 13 57.5 . . 1 . . . . . . . . 4434 1 1455 . 1 1 134 134 GLU HA H 1 4.00 . . 1 . . . . . . . . 4434 1 1456 . 1 1 134 134 GLU CB C 13 28.8 . . 1 . . . . . . . . 4434 1 1457 . 1 1 134 134 GLU HB2 H 1 1.67 . . 1 . . . . . . . . 4434 1 1458 . 1 1 134 134 GLU HB3 H 1 1.67 . . 1 . . . . . . . . 4434 1 1459 . 1 1 134 134 GLU CG C 13 35.7 . . 1 . . . . . . . . 4434 1 1460 . 1 1 134 134 GLU HG2 H 1 2.18 . . 2 . . . . . . . . 4434 1 1461 . 1 1 134 134 GLU HG3 H 1 2.41 . . 2 . . . . . . . . 4434 1 1462 . 1 1 135 135 SER N N 15 115.7 . . 1 . . . . . . . . 4434 1 1463 . 1 1 135 135 SER H H 1 8.39 . . 1 . . . . . . . . 4434 1 1464 . 1 1 135 135 SER CA C 13 60.8 . . 1 . . . . . . . . 4434 1 1465 . 1 1 135 135 SER HA H 1 3.91 . . 1 . . . . . . . . 4434 1 1466 . 1 1 135 135 SER CB C 13 62.3 . . 1 . . . . . . . . 4434 1 1467 . 1 1 135 135 SER HB2 H 1 3.39 . . 2 . . . . . . . . 4434 1 1468 . 1 1 135 135 SER HB3 H 1 3.60 . . 2 . . . . . . . . 4434 1 1469 . 1 1 136 136 GLN N N 15 120.3 . . 1 . . . . . . . . 4434 1 1470 . 1 1 136 136 GLN H H 1 7.61 . . 1 . . . . . . . . 4434 1 1471 . 1 1 136 136 GLN CA C 13 57.7 . . 1 . . . . . . . . 4434 1 1472 . 1 1 136 136 GLN HA H 1 4.11 . . 1 . . . . . . . . 4434 1 1473 . 1 1 136 136 GLN CB C 13 28.2 . . 1 . . . . . . . . 4434 1 1474 . 1 1 136 136 GLN HB2 H 1 2.09 . . 1 . . . . . . . . 4434 1 1475 . 1 1 136 136 GLN HB3 H 1 2.09 . . 1 . . . . . . . . 4434 1 1476 . 1 1 136 136 GLN CG C 13 33.7 . . 1 . . . . . . . . 4434 1 1477 . 1 1 136 136 GLN HG2 H 1 2.47 . . 2 . . . . . . . . 4434 1 1478 . 1 1 136 136 GLN HG3 H 1 2.37 . . 2 . . . . . . . . 4434 1 1479 . 1 1 136 136 GLN NE2 N 15 111.8 . . 1 . . . . . . . . 4434 1 1480 . 1 1 136 136 GLN HE21 H 1 7.46 . . 2 . . . . . . . . 4434 1 1481 . 1 1 136 136 GLN HE22 H 1 6.79 . . 2 . . . . . . . . 4434 1 1482 . 1 1 137 137 ALA N N 15 120.7 . . 1 . . . . . . . . 4434 1 1483 . 1 1 137 137 ALA H H 1 7.51 . . 1 . . . . . . . . 4434 1 1484 . 1 1 137 137 ALA CA C 13 53.6 . . 1 . . . . . . . . 4434 1 1485 . 1 1 137 137 ALA HA H 1 4.16 . . 1 . . . . . . . . 4434 1 1486 . 1 1 137 137 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 4434 1 1487 . 1 1 137 137 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 4434 1 1488 . 1 1 137 137 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 4434 1 1489 . 1 1 137 137 ALA CB C 13 18.3 . . 1 . . . . . . . . 4434 1 1490 . 1 1 138 138 TYR N N 15 119.1 . . 1 . . . . . . . . 4434 1 1491 . 1 1 138 138 TYR H H 1 8.01 . . 1 . . . . . . . . 4434 1 1492 . 1 1 138 138 TYR CA C 13 60.0 . . 1 . . . . . . . . 4434 1 1493 . 1 1 138 138 TYR HA H 1 4.18 . . 1 . . . . . . . . 4434 1 1494 . 1 1 138 138 TYR CB C 13 38.8 . . 1 . . . . . . . . 4434 1 1495 . 1 1 138 138 TYR HB2 H 1 2.99 . . 2 . . . . . . . . 4434 1 1496 . 1 1 138 138 TYR HB3 H 1 2.80 . . 2 . . . . . . . . 4434 1 1497 . 1 1 138 138 TYR HD1 H 1 6.67 . . 1 . . . . . . . . 4434 1 1498 . 1 1 138 138 TYR HD2 H 1 6.67 . . 1 . . . . . . . . 4434 1 1499 . 1 1 138 138 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 4434 1 1500 . 1 1 138 138 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 4434 1 1501 . 1 1 138 138 TYR CD1 C 13 133.5 . . 1 . . . . . . . . 4434 1 1502 . 1 1 138 138 TYR CE1 C 13 118.1 . . 1 . . . . . . . . 4434 1 1503 . 1 1 139 139 TYR N N 15 118.2 . . 1 . . . . . . . . 4434 1 1504 . 1 1 139 139 TYR H H 1 7.92 . . 1 . . . . . . . . 4434 1 1505 . 1 1 139 139 TYR CA C 13 58.7 . . 1 . . . . . . . . 4434 1 1506 . 1 1 139 139 TYR HA H 1 4.37 . . 1 . . . . . . . . 4434 1 1507 . 1 1 139 139 TYR CB C 13 38.1 . . 1 . . . . . . . . 4434 1 1508 . 1 1 139 139 TYR HB2 H 1 2.91 . . 2 . . . . . . . . 4434 1 1509 . 1 1 139 139 TYR HB3 H 1 3.13 . . 2 . . . . . . . . 4434 1 1510 . 1 1 139 139 TYR HD1 H 1 7.29 . . 1 . . . . . . . . 4434 1 1511 . 1 1 139 139 TYR HD2 H 1 7.29 . . 1 . . . . . . . . 4434 1 1512 . 1 1 139 139 TYR HE1 H 1 7.09 . . 1 . . . . . . . . 4434 1 1513 . 1 1 139 139 TYR HE2 H 1 7.09 . . 1 . . . . . . . . 4434 1 1514 . 1 1 139 139 TYR CD1 C 13 133.5 . . 1 . . . . . . . . 4434 1 1515 . 1 1 139 139 TYR CE1 C 13 118.4 . . 1 . . . . . . . . 4434 1 1516 . 1 1 140 140 GLN N N 15 119.7 . . 1 . . . . . . . . 4434 1 1517 . 1 1 140 140 GLN H H 1 7.85 . . 1 . . . . . . . . 4434 1 1518 . 1 1 140 140 GLN CA C 13 55.9 . . 1 . . . . . . . . 4434 1 1519 . 1 1 140 140 GLN HA H 1 4.22 . . 1 . . . . . . . . 4434 1 1520 . 1 1 140 140 GLN CB C 13 28.6 . . 1 . . . . . . . . 4434 1 1521 . 1 1 140 140 GLN HB2 H 1 2.02 . . 2 . . . . . . . . 4434 1 1522 . 1 1 140 140 GLN HB3 H 1 2.10 . . 2 . . . . . . . . 4434 1 1523 . 1 1 140 140 GLN CG C 13 33.7 . . 1 . . . . . . . . 4434 1 1524 . 1 1 140 140 GLN HG2 H 1 2.35 . . 1 . . . . . . . . 4434 1 1525 . 1 1 140 140 GLN HG3 H 1 2.35 . . 1 . . . . . . . . 4434 1 1526 . 1 1 140 140 GLN NE2 N 15 111.8 . . 1 . . . . . . . . 4434 1 1527 . 1 1 140 140 GLN HE21 H 1 7.47 . . 2 . . . . . . . . 4434 1 1528 . 1 1 140 140 GLN HE22 H 1 6.82 . . 2 . . . . . . . . 4434 1 1529 . 1 1 141 141 ARG N N 15 121.1 . . 1 . . . . . . . . 4434 1 1530 . 1 1 141 141 ARG H H 1 7.98 . . 1 . . . . . . . . 4434 1 1531 . 1 1 141 141 ARG CA C 13 56.5 . . 1 . . . . . . . . 4434 1 1532 . 1 1 141 141 ARG HA H 1 4.26 . . 1 . . . . . . . . 4434 1 1533 . 1 1 141 141 ARG CB C 13 30.5 . . 1 . . . . . . . . 4434 1 1534 . 1 1 141 141 ARG HB2 H 1 1.79 . . 2 . . . . . . . . 4434 1 1535 . 1 1 141 141 ARG HB3 H 1 1.84 . . 2 . . . . . . . . 4434 1 1536 . 1 1 141 141 ARG CG C 13 26.8 . . 1 . . . . . . . . 4434 1 1537 . 1 1 141 141 ARG HG2 H 1 1.62 . . 2 . . . . . . . . 4434 1 1538 . 1 1 141 141 ARG HG3 H 1 1.66 . . 2 . . . . . . . . 4434 1 1539 . 1 1 141 141 ARG CD C 13 43.1 . . 1 . . . . . . . . 4434 1 1540 . 1 1 141 141 ARG HD2 H 1 3.14 . . 1 . . . . . . . . 4434 1 1541 . 1 1 141 141 ARG HD3 H 1 3.14 . . 1 . . . . . . . . 4434 1 1542 . 1 1 141 141 ARG NE N 15 84.5 . . 1 . . . . . . . . 4434 1 1543 . 1 1 141 141 ARG HE H 1 7.15 . . 1 . . . . . . . . 4434 1 1544 . 1 1 142 142 GLY N N 15 110.0 . . 1 . . . . . . . . 4434 1 1545 . 1 1 142 142 GLY H H 1 8.31 . . 1 . . . . . . . . 4434 1 1546 . 1 1 142 142 GLY CA C 13 45.0 . . 1 . . . . . . . . 4434 1 1547 . 1 1 142 142 GLY HA2 H 1 3.95 . . 1 . . . . . . . . 4434 1 1548 . 1 1 142 142 GLY HA3 H 1 3.95 . . 1 . . . . . . . . 4434 1 1549 . 1 1 143 143 SER N N 15 120.8 . . 1 . . . . . . . . 4434 1 1550 . 1 1 143 143 SER H H 1 7.85 . . 1 . . . . . . . . 4434 1 1551 . 1 1 143 143 SER CA C 13 58.3 . . 1 . . . . . . . . 4434 1 1552 . 1 1 143 143 SER HA H 1 4.51 . . 1 . . . . . . . . 4434 1 1553 . 1 1 143 143 SER CB C 13 63.5 . . 1 . . . . . . . . 4434 1 1554 . 1 1 143 143 SER HB2 H 1 3.89 . . 1 . . . . . . . . 4434 1 1555 . 1 1 143 143 SER HB3 H 1 3.89 . . 1 . . . . . . . . 4434 1 stop_ save_