data_15685 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15685 _Entry.Title ; Backbone and side chain 1H, 13C, and 15N Chemical Shift Assignments for the complex of Epidermal Growth Factor-like 2 domain from Microneme Protein 6 (Toxoplasma gondii) with the Galectin-like domain of Microneme protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-17 _Entry.Accession_date 2008-03-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; The construct contains a felxible N-terminal extension which readily degraded and was only assignable in part. The structural integrity of the EGF2 domain in complex with MIC1 was unaffected and therefore complete assignments are recorded. ; _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 Kovilen Sawmynaden . . . 15685 2 Savvas Saouros . . . 15685 3 Jan Marchant . . . 15685 4 Peter Simpson . . . 15685 5 Stephen Matthews . . . 15685 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 15685 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 764 15685 '15N chemical shifts' 180 15685 '1H chemical shifts' 1169 15685 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 4 . . 2009-09-08 2008-03-17 update author 'Swap number of residues and molecular weight of entities' 15685 3 . . 2009-08-13 2008-03-17 update BMRB 'added PubMed ID and related entries' 15685 2 . . 2008-12-03 2008-03-17 update BMRB 'complete entry citation' 15685 1 . . 2008-10-03 2008-03-17 original author 'original release' 15685 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15682 'unbound EGF2' 15685 BMRB 15692 'TgMIC1-CT TgMIC16-EGF2 complex' 15685 BMRB 6376 'C-terminal domain from TgMIC1' 15685 PDB 2bvb . 15685 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15685 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636901 _Citation.Full_citation . _Citation.Title 'Complete NMR assignments for the second EGF domain of MIC6 from Toxoplasma gondii and re-assignment in complex with the galectin-like domain of MIC1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 187 _Citation.Page_last 189 _Citation.Year 2008 _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 Kovilen Sawmynaden . . . 15685 1 2 Savvas Saouros . . . 15685 1 3 Jan Marchant . . . 15685 1 4 Peter Simpson . . . 15685 1 5 Stephen Matthews . . . 15685 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID EGF 15685 1 MIC6 15685 1 Microneme 15685 1 NMR 15685 1 Toxoplasma 15685 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15685 _Assembly.ID 1 _Assembly.Name 'EGF2 - MIC1 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Epidermal Growth Factor-like domain 2' 1 $Epidermal_Growth_Factor-like_domain_2 A . yes native no no . . . 15685 1 2 'Galectin-like domain (MIC1)' 2 $Microneme_Protein_6 B . yes native no no . . . 15685 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 . 2 . 2 CYS 36 36 SG . 2 . 2 CYS 107 107 SG . . . . . . . . . . 15685 1 2 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 27 27 SG . . . . . . . . . . 15685 1 3 disulfide single . 1 . 1 CYS 19 19 SG . 1 . 1 CYS 36 36 SG . . . . . . . . . . 15685 1 4 disulfide single . 1 . 1 CYS 38 38 SG . 1 . 1 CYS 54 54 SG . . . . . . . . . . 15685 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 6376 . . . . . . 15685 1 yes PDB 2bvb . . . . . . 15685 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Epidermal_Growth_Factor-like_domain_2 _Entity.Sf_category entity _Entity.Sf_framecode Epidermal_Growth_Factor-like_domain_2 _Entity.Entry_ID 15685 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Epidermal_Growth_Factor-like_domain_2 _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 ; MANFVQLSETPAACSSNPCG PEAAGTCKETNSGYICRCNQ GYRISLDGTGNVTCIVRQES G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Epidermal Growth Factor-like domain 2' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6362.06 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Disulphide bonds are as follows: C14 - C27; C19 - C36; C38 - C54' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15682 . Epidermal_Growth_Factor-like_domain_2 . . . . . 100.00 61 100.00 100.00 1.96e-35 . . . . 15685 1 2 no PDB 2K2S . "Structure Of The Mic1-GldMIC6-Egf Complex From Toxoplasma Gondii" . . . . . 100.00 61 100.00 100.00 1.96e-35 . . . . 15685 1 3 no PDB 2K2T . "Epidermal Growth Factor-Like Domain 2 From Toxoplasma Gondii Microneme Protein 6" . . . . . 100.00 61 100.00 100.00 1.96e-35 . . . . 15685 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 . MET . 15685 1 2 . ALA . 15685 1 3 . ASN . 15685 1 4 . PHE . 15685 1 5 . VAL . 15685 1 6 . GLN . 15685 1 7 . LEU . 15685 1 8 . SER . 15685 1 9 . GLU . 15685 1 10 . THR . 15685 1 11 . PRO . 15685 1 12 . ALA . 15685 1 13 . ALA . 15685 1 14 . CYS . 15685 1 15 . SER . 15685 1 16 . SER . 15685 1 17 . ASN . 15685 1 18 . PRO . 15685 1 19 . CYS . 15685 1 20 . GLY . 15685 1 21 . PRO . 15685 1 22 . GLU . 15685 1 23 . ALA . 15685 1 24 . ALA . 15685 1 25 . GLY . 15685 1 26 . THR . 15685 1 27 . CYS . 15685 1 28 . LYS . 15685 1 29 . GLU . 15685 1 30 . THR . 15685 1 31 . ASN . 15685 1 32 . SER . 15685 1 33 . GLY . 15685 1 34 . TYR . 15685 1 35 . ILE . 15685 1 36 . CYS . 15685 1 37 . ARG . 15685 1 38 . CYS . 15685 1 39 . ASN . 15685 1 40 . GLN . 15685 1 41 . GLY . 15685 1 42 . TYR . 15685 1 43 . ARG . 15685 1 44 . ILE . 15685 1 45 . SER . 15685 1 46 . LEU . 15685 1 47 . ASP . 15685 1 48 . GLY . 15685 1 49 . THR . 15685 1 50 . GLY . 15685 1 51 . ASN . 15685 1 52 . VAL . 15685 1 53 . THR . 15685 1 54 . CYS . 15685 1 55 . ILE . 15685 1 56 . VAL . 15685 1 57 . ARG . 15685 1 58 . GLN . 15685 1 59 . GLU . 15685 1 60 . SER . 15685 1 61 . GLY . 15685 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 . MET 1 1 15685 1 . ALA 2 2 15685 1 . ASN 3 3 15685 1 . PHE 4 4 15685 1 . VAL 5 5 15685 1 . GLN 6 6 15685 1 . LEU 7 7 15685 1 . SER 8 8 15685 1 . GLU 9 9 15685 1 . THR 10 10 15685 1 . PRO 11 11 15685 1 . ALA 12 12 15685 1 . ALA 13 13 15685 1 . CYS 14 14 15685 1 . SER 15 15 15685 1 . SER 16 16 15685 1 . ASN 17 17 15685 1 . PRO 18 18 15685 1 . CYS 19 19 15685 1 . GLY 20 20 15685 1 . PRO 21 21 15685 1 . GLU 22 22 15685 1 . ALA 23 23 15685 1 . ALA 24 24 15685 1 . GLY 25 25 15685 1 . THR 26 26 15685 1 . CYS 27 27 15685 1 . LYS 28 28 15685 1 . GLU 29 29 15685 1 . THR 30 30 15685 1 . ASN 31 31 15685 1 . SER 32 32 15685 1 . GLY 33 33 15685 1 . TYR 34 34 15685 1 . ILE 35 35 15685 1 . CYS 36 36 15685 1 . ARG 37 37 15685 1 . CYS 38 38 15685 1 . ASN 39 39 15685 1 . GLN 40 40 15685 1 . GLY 41 41 15685 1 . TYR 42 42 15685 1 . ARG 43 43 15685 1 . ILE 44 44 15685 1 . SER 45 45 15685 1 . LEU 46 46 15685 1 . ASP 47 47 15685 1 . GLY 48 48 15685 1 . THR 49 49 15685 1 . GLY 50 50 15685 1 . ASN 51 51 15685 1 . VAL 52 52 15685 1 . THR 53 53 15685 1 . CYS 54 54 15685 1 . ILE 55 55 15685 1 . VAL 56 56 15685 1 . ARG 57 57 15685 1 . GLN 58 58 15685 1 . GLU 59 59 15685 1 . SER 60 60 15685 1 . GLY 61 61 15685 1 stop_ save_ save_Microneme_Protein_6 _Entity.Sf_category entity _Entity.Sf_framecode Microneme_Protein_6 _Entity.Entry_ID 15685 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Microneme_Protein_6 _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 ; MKTEIHGDSTKATLEEGQQL TLTFISTKLDVAVGSCHSLV ANFLDGFLKFQTGSNSAFDV VEVEEPAGPAVLTIGLGHKG RLAVVLDYTRLNAALGSAAY VVEDSGCSSSEEVSFQGVGS GATLVVTTLGESPTAVSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-31 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 15692 . TgMIC1-CT . . . . . 100.00 138 100.00 100.00 1.14e-91 . . . . 15685 2 2 no BMRB 6376 . micronemal_protein . . . . . 99.28 137 100.00 100.00 1.22e-90 . . . . 15685 2 3 no PDB 2BVB . "The C-Terminal Domain From Micronemal Protein 1 (Mic1) From Toxoplasma Gondii" . . . . . 99.28 137 100.00 100.00 1.22e-90 . . . . 15685 2 4 no PDB 2K2S . "Structure Of The Mic1-GldMIC6-Egf Complex From Toxoplasma Gondii" . . . . . 98.55 136 100.00 100.00 5.99e-90 . . . . 15685 2 5 no EMBL CAA96466 . "microneme [Toxoplasma gondii]" . . . . . 99.28 456 100.00 100.00 2.40e-86 . . . . 15685 2 6 no GB EPR59679 . "microneme protein MIC1 [Toxoplasma gondii GT1]" . . . . . 99.28 456 100.00 100.00 2.40e-86 . . . . 15685 2 7 no GB EPT28103 . "microneme protein MIC1 [Toxoplasma gondii ME49]" . . . . . 99.28 456 100.00 100.00 2.48e-86 . . . . 15685 2 8 no GB ESS33997 . "microneme protein MIC1 [Toxoplasma gondii VEG]" . . . . . 99.28 456 100.00 100.00 2.48e-86 . . . . 15685 2 9 no GB KFG30856 . "microneme protein MIC1 [Toxoplasma gondii p89]" . . . . . 99.28 456 99.27 100.00 9.33e-86 . . . . 15685 2 10 no GB KFG41657 . "microneme protein MIC1 [Toxoplasma gondii FOU]" . . . . . 99.28 456 100.00 100.00 2.40e-86 . . . . 15685 2 11 no REF XP_002368531 . "microneme protein MIC1 [Toxoplasma gondii ME49]" . . . . . 99.28 456 100.00 100.00 2.48e-86 . . . . 15685 2 12 no SP O00834 . "RecName: Full=Micronemal protein 1; Flags: Precursor [Toxoplasma gondii]" . . . . . 99.28 456 100.00 100.00 2.40e-86 . . . . 15685 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Required for efficent assembly and correct sorting of associated protein complex' 15685 2 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 0 MET . 15685 2 2 1 LYS . 15685 2 3 2 THR . 15685 2 4 3 GLU . 15685 2 5 4 ILE . 15685 2 6 5 HIS . 15685 2 7 6 GLY . 15685 2 8 7 ASP . 15685 2 9 8 SER . 15685 2 10 9 THR . 15685 2 11 10 LYS . 15685 2 12 11 ALA . 15685 2 13 12 THR . 15685 2 14 13 LEU . 15685 2 15 14 GLU . 15685 2 16 15 GLU . 15685 2 17 16 GLY . 15685 2 18 17 GLN . 15685 2 19 18 GLN . 15685 2 20 19 LEU . 15685 2 21 20 THR . 15685 2 22 21 LEU . 15685 2 23 22 THR . 15685 2 24 23 PHE . 15685 2 25 24 ILE . 15685 2 26 25 SER . 15685 2 27 26 THR . 15685 2 28 27 LYS . 15685 2 29 28 LEU . 15685 2 30 29 ASP . 15685 2 31 30 VAL . 15685 2 32 31 ALA . 15685 2 33 32 VAL . 15685 2 34 33 GLY . 15685 2 35 34 SER . 15685 2 36 35 CYS . 15685 2 37 36 HIS . 15685 2 38 37 SER . 15685 2 39 38 LEU . 15685 2 40 39 VAL . 15685 2 41 40 ALA . 15685 2 42 41 ASN . 15685 2 43 42 PHE . 15685 2 44 43 LEU . 15685 2 45 44 ASP . 15685 2 46 45 GLY . 15685 2 47 46 PHE . 15685 2 48 47 LEU . 15685 2 49 48 LYS . 15685 2 50 49 PHE . 15685 2 51 50 GLN . 15685 2 52 51 THR . 15685 2 53 52 GLY . 15685 2 54 53 SER . 15685 2 55 54 ASN . 15685 2 56 55 SER . 15685 2 57 56 ALA . 15685 2 58 57 PHE . 15685 2 59 58 ASP . 15685 2 60 59 VAL . 15685 2 61 60 VAL . 15685 2 62 61 GLU . 15685 2 63 62 VAL . 15685 2 64 63 GLU . 15685 2 65 64 GLU . 15685 2 66 65 PRO . 15685 2 67 66 ALA . 15685 2 68 67 GLY . 15685 2 69 68 PRO . 15685 2 70 69 ALA . 15685 2 71 70 VAL . 15685 2 72 71 LEU . 15685 2 73 72 THR . 15685 2 74 73 ILE . 15685 2 75 74 GLY . 15685 2 76 75 LEU . 15685 2 77 76 GLY . 15685 2 78 77 HIS . 15685 2 79 78 LYS . 15685 2 80 79 GLY . 15685 2 81 80 ARG . 15685 2 82 81 LEU . 15685 2 83 82 ALA . 15685 2 84 83 VAL . 15685 2 85 84 VAL . 15685 2 86 85 LEU . 15685 2 87 86 ASP . 15685 2 88 87 TYR . 15685 2 89 88 THR . 15685 2 90 89 ARG . 15685 2 91 90 LEU . 15685 2 92 91 ASN . 15685 2 93 92 ALA . 15685 2 94 93 ALA . 15685 2 95 94 LEU . 15685 2 96 95 GLY . 15685 2 97 96 SER . 15685 2 98 97 ALA . 15685 2 99 98 ALA . 15685 2 100 99 TYR . 15685 2 101 100 VAL . 15685 2 102 101 VAL . 15685 2 103 102 GLU . 15685 2 104 103 ASP . 15685 2 105 104 SER . 15685 2 106 105 GLY . 15685 2 107 106 CYS . 15685 2 108 107 SER . 15685 2 109 108 SER . 15685 2 110 109 SER . 15685 2 111 110 GLU . 15685 2 112 111 GLU . 15685 2 113 112 VAL . 15685 2 114 113 SER . 15685 2 115 114 PHE . 15685 2 116 115 GLN . 15685 2 117 116 GLY . 15685 2 118 117 VAL . 15685 2 119 118 GLY . 15685 2 120 119 SER . 15685 2 121 120 GLY . 15685 2 122 121 ALA . 15685 2 123 122 THR . 15685 2 124 123 LEU . 15685 2 125 124 VAL . 15685 2 126 125 VAL . 15685 2 127 126 THR . 15685 2 128 127 THR . 15685 2 129 128 LEU . 15685 2 130 129 GLY . 15685 2 131 130 GLU . 15685 2 132 131 SER . 15685 2 133 132 PRO . 15685 2 134 133 THR . 15685 2 135 134 ALA . 15685 2 136 135 VAL . 15685 2 137 136 SER . 15685 2 138 137 ALA . 15685 2 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 . MET 1 1 15685 2 . LYS 2 2 15685 2 . THR 3 3 15685 2 . GLU 4 4 15685 2 . ILE 5 5 15685 2 . HIS 6 6 15685 2 . GLY 7 7 15685 2 . ASP 8 8 15685 2 . SER 9 9 15685 2 . THR 10 10 15685 2 . LYS 11 11 15685 2 . ALA 12 12 15685 2 . THR 13 13 15685 2 . LEU 14 14 15685 2 . GLU 15 15 15685 2 . GLU 16 16 15685 2 . GLY 17 17 15685 2 . GLN 18 18 15685 2 . GLN 19 19 15685 2 . LEU 20 20 15685 2 . THR 21 21 15685 2 . LEU 22 22 15685 2 . THR 23 23 15685 2 . PHE 24 24 15685 2 . ILE 25 25 15685 2 . SER 26 26 15685 2 . THR 27 27 15685 2 . LYS 28 28 15685 2 . LEU 29 29 15685 2 . ASP 30 30 15685 2 . VAL 31 31 15685 2 . ALA 32 32 15685 2 . VAL 33 33 15685 2 . GLY 34 34 15685 2 . SER 35 35 15685 2 . CYS 36 36 15685 2 . HIS 37 37 15685 2 . SER 38 38 15685 2 . LEU 39 39 15685 2 . VAL 40 40 15685 2 . ALA 41 41 15685 2 . ASN 42 42 15685 2 . PHE 43 43 15685 2 . LEU 44 44 15685 2 . ASP 45 45 15685 2 . GLY 46 46 15685 2 . PHE 47 47 15685 2 . LEU 48 48 15685 2 . LYS 49 49 15685 2 . PHE 50 50 15685 2 . GLN 51 51 15685 2 . THR 52 52 15685 2 . GLY 53 53 15685 2 . SER 54 54 15685 2 . ASN 55 55 15685 2 . SER 56 56 15685 2 . ALA 57 57 15685 2 . PHE 58 58 15685 2 . ASP 59 59 15685 2 . VAL 60 60 15685 2 . VAL 61 61 15685 2 . GLU 62 62 15685 2 . VAL 63 63 15685 2 . GLU 64 64 15685 2 . GLU 65 65 15685 2 . PRO 66 66 15685 2 . ALA 67 67 15685 2 . GLY 68 68 15685 2 . PRO 69 69 15685 2 . ALA 70 70 15685 2 . VAL 71 71 15685 2 . LEU 72 72 15685 2 . THR 73 73 15685 2 . ILE 74 74 15685 2 . GLY 75 75 15685 2 . LEU 76 76 15685 2 . GLY 77 77 15685 2 . HIS 78 78 15685 2 . LYS 79 79 15685 2 . GLY 80 80 15685 2 . ARG 81 81 15685 2 . LEU 82 82 15685 2 . ALA 83 83 15685 2 . VAL 84 84 15685 2 . VAL 85 85 15685 2 . LEU 86 86 15685 2 . ASP 87 87 15685 2 . TYR 88 88 15685 2 . THR 89 89 15685 2 . ARG 90 90 15685 2 . LEU 91 91 15685 2 . ASN 92 92 15685 2 . ALA 93 93 15685 2 . ALA 94 94 15685 2 . LEU 95 95 15685 2 . GLY 96 96 15685 2 . SER 97 97 15685 2 . ALA 98 98 15685 2 . ALA 99 99 15685 2 . TYR 100 100 15685 2 . VAL 101 101 15685 2 . VAL 102 102 15685 2 . GLU 103 103 15685 2 . ASP 104 104 15685 2 . SER 105 105 15685 2 . GLY 106 106 15685 2 . CYS 107 107 15685 2 . SER 108 108 15685 2 . SER 109 109 15685 2 . SER 110 110 15685 2 . GLU 111 111 15685 2 . GLU 112 112 15685 2 . VAL 113 113 15685 2 . SER 114 114 15685 2 . PHE 115 115 15685 2 . GLN 116 116 15685 2 . GLY 117 117 15685 2 . VAL 118 118 15685 2 . GLY 119 119 15685 2 . SER 120 120 15685 2 . GLY 121 121 15685 2 . ALA 122 122 15685 2 . THR 123 123 15685 2 . LEU 124 124 15685 2 . VAL 125 125 15685 2 . VAL 126 126 15685 2 . THR 127 127 15685 2 . THR 128 128 15685 2 . LEU 129 129 15685 2 . GLY 130 130 15685 2 . GLU 131 131 15685 2 . SER 132 132 15685 2 . PRO 133 133 15685 2 . THR 134 134 15685 2 . ALA 135 135 15685 2 . VAL 136 136 15685 2 . SER 137 137 15685 2 . ALA 138 138 15685 2 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 15685 _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 $Epidermal_Growth_Factor-like_domain_2 . 5811 organism . 'Toxoplasma gondii' 'Toxoplasma gondii' . . Eukaryota . Toxoplasma gondii . . . . . . . . . . . . . . . . . . . . . 15685 1 2 2 $Microneme_Protein_6 . 5811 organism . 'Toxoplasma gondii' 'Toxoplasma gondii' . . Eukaryota . Toxoplasma gondii . . . . . . . . . . . . . . . . . . . . . 15685 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 15685 _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 $Epidermal_Growth_Factor-like_domain_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET-32 Xa/LIC' . . . . . . 15685 1 2 2 $Microneme_Protein_6 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET-32 Xa/LIC' . . . . . . 15685 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15685 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Epidermal Growth Factor-like domain 2' 'natural abundance' . . 1 $Epidermal_Growth_Factor-like_domain_2 . . 0.5 . . mM . . . . 15685 1 2 'Galectin-like domain (MIC1)' 'natural abundance' . . 2 $Microneme_Protein_6 . . 0.5 . . mM . . . . 15685 1 3 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15685 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15685 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15685 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Epidermal Growth Factor-like domain 2' '[U-100% 13C; U-100% 15N]' . . 1 $Epidermal_Growth_Factor-like_domain_2 . . 1-1.3 . . mM . . . . 15685 2 2 'Galectin-like domain (MIC1)' 'natural abundance' . . 2 $Microneme_Protein_6 . . 0.5 . . mM . . . . 15685 2 3 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15685 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15685 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15685 _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 6.8 . pH 15685 1 temperature 308 . K 15685 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15685 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 15685 2 pH 6.9 . pH 15685 2 pressure 1 . atm 15685 2 temperature 308 . K 15685 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15685 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15685 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15685 1 'peak picking' 15685 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15685 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15685 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15685 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 15685 1 2 spectrometer_2 Bruker DRX . 500 . . . 15685 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 15685 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15685 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15685 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15685 1 4 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15685 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15685 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15685 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15685 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15685 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15685 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15685 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15685 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15685 1 13 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15685 1 14 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15685 1 15 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15685 1 16 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15685 1 17 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 15685 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15685 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm . internal indirect . . . . . . . . . . 15685 1 H 1 water protons . . . . ppm . internal direct 1.000000000 . . . . . . . . . 15685 1 N 15 water protons . . . . ppm . internal indirect . . . . . . . . . . 15685 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15685 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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 'All HN and N chemical shifts for the EGF2 domain (only) are TROSY (~ 45 Hz) shifted.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15685 1 2 '3D HNCACB' . . . 15685 1 3 '3D CBCA(CO)NH' . . . 15685 1 4 '3D HNCACO' . . . 15685 1 5 '3D HNCO' . . . 15685 1 6 '3D HBHA(CO)NH' . . . 15685 1 7 '3D HCCH-TOCSY' . . . 15685 1 8 '3D H(CCO)NH' . . . 15685 1 9 '3D 1H-15N NOESY' . . . 15685 1 10 '3D 1H-13C NOESY' . . . 15685 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 7 7 LEU HA H 1 4.389 0.05 . 1 . . . . 7 L HA . 15685 1 2 . 1 1 7 7 LEU HB2 H 1 1.663 0.05 . 2 . . . . 7 L HB1 . 15685 1 3 . 1 1 7 7 LEU HB3 H 1 1.610 0.05 . 2 . . . . 7 L HB2 . 15685 1 4 . 1 1 7 7 LEU HD11 H 1 0.924 0.05 . 2 . . . . 7 L HD11 . 15685 1 5 . 1 1 7 7 LEU HD12 H 1 0.924 0.05 . 2 . . . . 7 L HD11 . 15685 1 6 . 1 1 7 7 LEU HD13 H 1 0.924 0.05 . 2 . . . . 7 L HD11 . 15685 1 7 . 1 1 7 7 LEU HD21 H 1 0.870 0.05 . 2 . . . . 7 L HD21 . 15685 1 8 . 1 1 7 7 LEU HD22 H 1 0.870 0.05 . 2 . . . . 7 L HD21 . 15685 1 9 . 1 1 7 7 LEU HD23 H 1 0.870 0.05 . 2 . . . . 7 L HD21 . 15685 1 10 . 1 1 7 7 LEU HG H 1 1.633 0.05 . 1 . . . . 7 L HG . 15685 1 11 . 1 1 7 7 LEU C C 13 177.288 0.5 . 1 . . . . 7 L C . 15685 1 12 . 1 1 7 7 LEU CA C 13 56.005 0.5 . 1 . . . . 7 L CA . 15685 1 13 . 1 1 7 7 LEU CB C 13 43.096 0.5 . 1 . . . . 7 L CB . 15685 1 14 . 1 1 7 7 LEU CD1 C 13 25.423 0.5 . 1 . . . . 7 L CD1 . 15685 1 15 . 1 1 7 7 LEU CD2 C 13 24.077 0.5 . 1 . . . . 7 L CD2 . 15685 1 16 . 1 1 7 7 LEU CG C 13 27.527 0.5 . 1 . . . . 7 L CG . 15685 1 17 . 1 1 8 8 SER H H 1 8.193 0.05 . 1 . . . . 8 S HN . 15685 1 18 . 1 1 8 8 SER HA H 1 4.467 0.05 . 1 . . . . 8 S HA . 15685 1 19 . 1 1 8 8 SER HB2 H 1 3.860 0.05 . 2 . . . . 8 S HB1 . 15685 1 20 . 1 1 8 8 SER HB3 H 1 3.860 0.05 . 2 . . . . 8 S HB2 . 15685 1 21 . 1 1 8 8 SER C C 13 174.260 0.5 . 1 . . . . 8 S C . 15685 1 22 . 1 1 8 8 SER CA C 13 58.803 0.5 . 1 . . . . 8 S CA . 15685 1 23 . 1 1 8 8 SER CB C 13 64.716 0.5 . 1 . . . . 8 S CB . 15685 1 24 . 1 1 8 8 SER N N 15 116.732 0.5 . 1 . . . . 8 S N . 15685 1 25 . 1 1 9 9 GLU H H 1 8.310 0.05 . 1 . . . . 9 E HN . 15685 1 26 . 1 1 9 9 GLU HA H 1 4.372 0.05 . 1 . . . . 9 E HA . 15685 1 27 . 1 1 9 9 GLU HB2 H 1 2.055 0.05 . 2 . . . . 9 E HB1 . 15685 1 28 . 1 1 9 9 GLU HB3 H 1 1.952 0.05 . 2 . . . . 9 E HB2 . 15685 1 29 . 1 1 9 9 GLU HG2 H 1 2.272 0.05 . 2 . . . . 9 E HG1 . 15685 1 30 . 1 1 9 9 GLU HG3 H 1 2.215 0.05 . 2 . . . . 9 E HG2 . 15685 1 31 . 1 1 9 9 GLU C C 13 176.283 0.5 . 1 . . . . 9 E C . 15685 1 32 . 1 1 9 9 GLU CA C 13 57.219 0.5 . 1 . . . . 9 E CA . 15685 1 33 . 1 1 9 9 GLU CB C 13 30.972 0.5 . 1 . . . . 9 E CB . 15685 1 34 . 1 1 9 9 GLU CG C 13 36.868 0.5 . 1 . . . . 9 E CG . 15685 1 35 . 1 1 9 9 GLU N N 15 123.132 0.5 . 1 . . . . 9 E N . 15685 1 36 . 1 1 10 10 THR H H 1 8.140 0.05 . 1 . . . . 10 T HN . 15685 1 37 . 1 1 10 10 THR HA H 1 4.603 0.05 . 1 . . . . 10 T HA . 15685 1 38 . 1 1 10 10 THR HB H 1 4.151 0.05 . 1 . . . . 10 T HB . 15685 1 39 . 1 1 10 10 THR HG21 H 1 1.245 0.05 . 1 . . . . 10 T HG21 . 15685 1 40 . 1 1 10 10 THR HG22 H 1 1.245 0.05 . 1 . . . . 10 T HG21 . 15685 1 41 . 1 1 10 10 THR HG23 H 1 1.245 0.05 . 1 . . . . 10 T HG21 . 15685 1 42 . 1 1 10 10 THR C C 13 172.702 0.5 . 1 . . . . 10 T C . 15685 1 43 . 1 1 10 10 THR CA C 13 60.370 0.5 . 1 . . . . 10 T CA . 15685 1 44 . 1 1 10 10 THR CB C 13 70.294 0.5 . 1 . . . . 10 T CB . 15685 1 45 . 1 1 10 10 THR CG2 C 13 21.925 0.5 . 1 . . . . 10 T CG2 . 15685 1 46 . 1 1 10 10 THR N N 15 118.301 0.5 . 1 . . . . 10 T N . 15685 1 47 . 1 1 11 11 PRO HA H 1 4.415 0.05 . 1 . . . . 11 P HA . 15685 1 48 . 1 1 11 11 PRO HB2 H 1 2.296 0.05 . 2 . . . . 11 P HB1 . 15685 1 49 . 1 1 11 11 PRO HB3 H 1 1.911 0.05 . 2 . . . . 11 P HB2 . 15685 1 50 . 1 1 11 11 PRO HD2 H 1 3.860 0.05 . 2 . . . . 11 P HD1 . 15685 1 51 . 1 1 11 11 PRO HD3 H 1 3.721 0.05 . 2 . . . . 11 P HD2 . 15685 1 52 . 1 1 11 11 PRO HG2 H 1 2.035 0.05 . 2 . . . . 11 P HG1 . 15685 1 53 . 1 1 11 11 PRO HG3 H 1 1.987 0.05 . 2 . . . . 11 P HG2 . 15685 1 54 . 1 1 11 11 PRO C C 13 176.403 0.5 . 1 . . . . 11 P C . 15685 1 55 . 1 1 11 11 PRO CA C 13 63.782 0.5 . 1 . . . . 11 P CA . 15685 1 56 . 1 1 11 11 PRO CB C 13 32.708 0.5 . 1 . . . . 11 P CB . 15685 1 57 . 1 1 11 11 PRO CD C 13 51.641 0.5 . 1 . . . . 11 P CD . 15685 1 58 . 1 1 11 11 PRO CG C 13 27.868 0.5 . 1 . . . . 11 P CG . 15685 1 59 . 1 1 12 12 ALA H H 1 8.470 0.05 . 1 . . . . 12 A HN . 15685 1 60 . 1 1 12 12 ALA HA H 1 4.452 0.05 . 1 . . . . 12 A HA . 15685 1 61 . 1 1 12 12 ALA HB1 H 1 1.455 0.05 . 1 . . . . 12 A HB1 . 15685 1 62 . 1 1 12 12 ALA HB2 H 1 1.455 0.05 . 1 . . . . 12 A HB1 . 15685 1 63 . 1 1 12 12 ALA HB3 H 1 1.455 0.05 . 1 . . . . 12 A HB1 . 15685 1 64 . 1 1 12 12 ALA C C 13 179.238 0.5 . 1 . . . . 12 A C . 15685 1 65 . 1 1 12 12 ALA CA C 13 52.750 0.5 . 1 . . . . 12 A CA . 15685 1 66 . 1 1 12 12 ALA CB C 13 19.325 0.5 . 1 . . . . 12 A CB . 15685 1 67 . 1 1 12 12 ALA N N 15 126.447 0.5 . 1 . . . . 12 A N . 15685 1 68 . 1 1 13 13 ALA H H 1 9.063 0.05 . 1 . . . . 13 A HN . 15685 1 69 . 1 1 13 13 ALA HA H 1 4.116 0.05 . 1 . . . . 13 A HA . 15685 1 70 . 1 1 13 13 ALA HB1 H 1 1.514 0.05 . 1 . . . . 13 A HB1 . 15685 1 71 . 1 1 13 13 ALA HB2 H 1 1.514 0.05 . 1 . . . . 13 A HB1 . 15685 1 72 . 1 1 13 13 ALA HB3 H 1 1.514 0.05 . 1 . . . . 13 A HB1 . 15685 1 73 . 1 1 13 13 ALA C C 13 179.745 0.5 . 1 . . . . 13 A C . 15685 1 74 . 1 1 13 13 ALA CA C 13 55.699 0.5 . 1 . . . . 13 A CA . 15685 1 75 . 1 1 13 13 ALA CB C 13 20.219 0.5 . 1 . . . . 13 A CB . 15685 1 76 . 1 1 13 13 ALA N N 15 126.119 0.5 . 1 . . . . 13 A N . 15685 1 77 . 1 1 14 14 CYS H H 1 9.306 0.05 . 1 . . . . 14 C HN . 15685 1 78 . 1 1 14 14 CYS HA H 1 4.437 0.05 . 1 . . . . 14 C HA . 15685 1 79 . 1 1 14 14 CYS HB2 H 1 3.348 0.05 . 2 . . . . 14 C HB1 . 15685 1 80 . 1 1 14 14 CYS HB3 H 1 3.034 0.05 . 2 . . . . 14 C HB2 . 15685 1 81 . 1 1 14 14 CYS C C 13 177.865 0.5 . 1 . . . . 14 C C . 15685 1 82 . 1 1 14 14 CYS CA C 13 55.886 0.5 . 1 . . . . 14 C CA . 15685 1 83 . 1 1 14 14 CYS CB C 13 38.808 0.5 . 1 . . . . 14 C CB . 15685 1 84 . 1 1 14 14 CYS N N 15 112.793 0.5 . 1 . . . . 14 C N . 15685 1 85 . 1 1 15 15 SER H H 1 8.074 0.05 . 1 . . . . 15 S HN . 15685 1 86 . 1 1 15 15 SER HA H 1 4.225 0.05 . 1 . . . . 15 S HA . 15685 1 87 . 1 1 15 15 SER HB2 H 1 4.021 0.05 . 2 . . . . 15 S HB1 . 15685 1 88 . 1 1 15 15 SER HB3 H 1 4.021 0.05 . 2 . . . . 15 S HB2 . 15685 1 89 . 1 1 15 15 SER C C 13 174.702 0.5 . 1 . . . . 15 S C . 15685 1 90 . 1 1 15 15 SER CA C 13 62.084 0.5 . 1 . . . . 15 S CA . 15685 1 91 . 1 1 15 15 SER CB C 13 63.612 0.5 . 1 . . . . 15 S CB . 15685 1 92 . 1 1 15 15 SER N N 15 119.202 0.5 . 1 . . . . 15 S N . 15685 1 93 . 1 1 16 16 SER H H 1 7.426 0.05 . 1 . . . . 16 S HN . 15685 1 94 . 1 1 16 16 SER HA H 1 4.510 0.05 . 1 . . . . 16 S HA . 15685 1 95 . 1 1 16 16 SER HB2 H 1 3.999 0.05 . 2 . . . . 16 S HB1 . 15685 1 96 . 1 1 16 16 SER HB3 H 1 3.758 0.05 . 2 . . . . 16 S HB2 . 15685 1 97 . 1 1 16 16 SER C C 13 173.448 0.5 . 1 . . . . 16 S C . 15685 1 98 . 1 1 16 16 SER CA C 13 58.380 0.5 . 1 . . . . 16 S CA . 15685 1 99 . 1 1 16 16 SER CB C 13 63.556 0.5 . 1 . . . . 16 S CB . 15685 1 100 . 1 1 16 16 SER N N 15 114.494 0.5 . 1 . . . . 16 S N . 15685 1 101 . 1 1 17 17 ASN H H 1 7.897 0.05 . 1 . . . . 17 N HN . 15685 1 102 . 1 1 17 17 ASN HA H 1 4.623 0.05 . 1 . . . . 17 N HA . 15685 1 103 . 1 1 17 17 ASN HB2 H 1 2.908 0.05 . 2 . . . . 17 N HB1 . 15685 1 104 . 1 1 17 17 ASN HB3 H 1 2.770 0.05 . 2 . . . . 17 N HB2 . 15685 1 105 . 1 1 17 17 ASN C C 13 173.792 0.5 . 1 . . . . 17 N C . 15685 1 106 . 1 1 17 17 ASN CA C 13 54.998 0.5 . 1 . . . . 17 N CA . 15685 1 107 . 1 1 17 17 ASN CB C 13 37.538 0.5 . 1 . . . . 17 N CB . 15685 1 108 . 1 1 17 17 ASN N N 15 115.934 0.5 . 1 . . . . 17 N N . 15685 1 109 . 1 1 18 18 PRO HA H 1 4.211 0.05 . 1 . . . . 18 P HA . 15685 1 110 . 1 1 18 18 PRO HB2 H 1 1.791 0.05 . 2 . . . . 18 P HB1 . 15685 1 111 . 1 1 18 18 PRO HB3 H 1 1.703 0.05 . 2 . . . . 18 P HB2 . 15685 1 112 . 1 1 18 18 PRO C C 13 178.298 0.5 . 1 . . . . 18 P C . 15685 1 113 . 1 1 18 18 PRO CA C 13 65.565 0.5 . 1 . . . . 18 P CA . 15685 1 114 . 1 1 18 18 PRO CB C 13 31.858 0.5 . 1 . . . . 18 P CB . 15685 1 115 . 1 1 18 18 PRO CD C 13 52.150 0.5 . 1 . . . . 18 P CD . 15685 1 116 . 1 1 18 18 PRO CG C 13 28.208 0.5 . 1 . . . . 18 P CG . 15685 1 117 . 1 1 19 19 CYS H H 1 7.777 0.05 . 1 . . . . 19 C HN . 15685 1 118 . 1 1 19 19 CYS HA H 1 4.605 0.05 . 1 . . . . 19 C HA . 15685 1 119 . 1 1 19 19 CYS HB2 H 1 2.924 0.05 . 2 . . . . 19 C HB1 . 15685 1 120 . 1 1 19 19 CYS HB3 H 1 2.676 0.05 . 2 . . . . 19 C HB2 . 15685 1 121 . 1 1 19 19 CYS C C 13 173.081 0.5 . 1 . . . . 19 C C . 15685 1 122 . 1 1 19 19 CYS CA C 13 55.595 0.5 . 1 . . . . 19 C CA . 15685 1 123 . 1 1 19 19 CYS CB C 13 37.165 0.5 . 1 . . . . 19 C CB . 15685 1 124 . 1 1 19 19 CYS N N 15 114.737 0.5 . 1 . . . . 19 C N . 15685 1 125 . 1 1 20 20 GLY H H 1 7.198 0.05 . 1 . . . . 20 G HN . 15685 1 126 . 1 1 20 20 GLY HA2 H 1 3.737 0.05 . 2 . . . . 20 G HA1 . 15685 1 127 . 1 1 20 20 GLY HA3 H 1 3.737 0.05 . 2 . . . . 20 G HA2 . 15685 1 128 . 1 1 20 20 GLY C C 13 171.673 0.5 . 1 . . . . 20 G C . 15685 1 129 . 1 1 20 20 GLY CA C 13 43.731 0.5 . 1 . . . . 20 G CA . 15685 1 130 . 1 1 20 20 GLY N N 15 106.170 0.5 . 1 . . . . 20 G N . 15685 1 131 . 1 1 21 21 PRO HA H 1 4.562 0.05 . 1 . . . . 21 P HA . 15685 1 132 . 1 1 21 21 PRO HB2 H 1 2.398 0.05 . 2 . . . . 21 P HB1 . 15685 1 133 . 1 1 21 21 PRO HB3 H 1 2.069 0.05 . 2 . . . . 21 P HB2 . 15685 1 134 . 1 1 21 21 PRO HD2 H 1 3.610 0.05 . 2 . . . . 21 P HD1 . 15685 1 135 . 1 1 21 21 PRO HD3 H 1 3.513 0.05 . 2 . . . . 21 P HD2 . 15685 1 136 . 1 1 21 21 PRO HG2 H 1 2.105 0.05 . 2 . . . . 21 P HG1 . 15685 1 137 . 1 1 21 21 PRO HG3 H 1 1.914 0.05 . 2 . . . . 21 P HG2 . 15685 1 138 . 1 1 21 21 PRO C C 13 176.492 0.5 . 1 . . . . 21 P C . 15685 1 139 . 1 1 21 21 PRO CA C 13 63.117 0.5 . 1 . . . . 21 P CA . 15685 1 140 . 1 1 21 21 PRO CB C 13 32.820 0.5 . 1 . . . . 21 P CB . 15685 1 141 . 1 1 21 21 PRO CD C 13 49.801 0.5 . 1 . . . . 21 P CD . 15685 1 142 . 1 1 21 21 PRO CG C 13 27.726 0.5 . 1 . . . . 21 P CG . 15685 1 143 . 1 1 22 22 GLU H H 1 8.571 0.05 . 1 . . . . 22 E HN . 15685 1 144 . 1 1 22 22 GLU HA H 1 4.079 0.05 . 1 . . . . 22 E HA . 15685 1 145 . 1 1 22 22 GLU HB2 H 1 2.033 0.05 . 2 . . . . 22 E HB1 . 15685 1 146 . 1 1 22 22 GLU HB3 H 1 1.966 0.05 . 2 . . . . 22 E HB2 . 15685 1 147 . 1 1 22 22 GLU HG2 H 1 2.345 0.05 . 2 . . . . 22 E HG1 . 15685 1 148 . 1 1 22 22 GLU HG3 H 1 2.282 0.05 . 2 . . . . 22 E HG2 . 15685 1 149 . 1 1 22 22 GLU C C 13 177.805 0.5 . 1 . . . . 22 E C . 15685 1 150 . 1 1 22 22 GLU CA C 13 60.257 0.5 . 1 . . . . 22 E CA . 15685 1 151 . 1 1 22 22 GLU CB C 13 29.871 0.5 . 1 . . . . 22 E CB . 15685 1 152 . 1 1 22 22 GLU CG C 13 37.199 0.5 . 1 . . . . 22 E CG . 15685 1 153 . 1 1 22 22 GLU N N 15 121.891 0.5 . 1 . . . . 22 E N . 15685 1 154 . 1 1 23 23 ALA H H 1 8.019 0.05 . 1 . . . . 23 A HN . 15685 1 155 . 1 1 23 23 ALA HA H 1 3.929 0.05 . 1 . . . . 23 A HA . 15685 1 156 . 1 1 23 23 ALA HB1 H 1 1.309 0.05 . 1 . . . . 23 A HB1 . 15685 1 157 . 1 1 23 23 ALA HB2 H 1 1.309 0.05 . 1 . . . . 23 A HB1 . 15685 1 158 . 1 1 23 23 ALA HB3 H 1 1.309 0.05 . 1 . . . . 23 A HB1 . 15685 1 159 . 1 1 23 23 ALA C C 13 178.865 0.5 . 1 . . . . 23 A C . 15685 1 160 . 1 1 23 23 ALA CA C 13 54.625 0.5 . 1 . . . . 23 A CA . 15685 1 161 . 1 1 23 23 ALA CB C 13 19.257 0.5 . 1 . . . . 23 A CB . 15685 1 162 . 1 1 23 23 ALA N N 15 117.085 0.5 . 1 . . . . 23 A N . 15685 1 163 . 1 1 24 24 ALA H H 1 7.434 0.05 . 1 . . . . 24 A HN . 15685 1 164 . 1 1 24 24 ALA HA H 1 2.063 0.05 . 1 . . . . 24 A HA . 15685 1 165 . 1 1 24 24 ALA HB1 H 1 0.962 0.05 . 1 . . . . 24 A HB1 . 15685 1 166 . 1 1 24 24 ALA HB2 H 1 0.962 0.05 . 1 . . . . 24 A HB1 . 15685 1 167 . 1 1 24 24 ALA HB3 H 1 0.962 0.05 . 1 . . . . 24 A HB1 . 15685 1 168 . 1 1 24 24 ALA C C 13 177.855 0.5 . 1 . . . . 24 A C . 15685 1 169 . 1 1 24 24 ALA CA C 13 52.685 0.5 . 1 . . . . 24 A CA . 15685 1 170 . 1 1 24 24 ALA CB C 13 21.944 0.5 . 1 . . . . 24 A CB . 15685 1 171 . 1 1 24 24 ALA N N 15 119.846 0.5 . 1 . . . . 24 A N . 15685 1 172 . 1 1 25 25 GLY H H 1 7.040 0.05 . 1 . . . . 25 G HN . 15685 1 173 . 1 1 25 25 GLY HA2 H 1 4.225 0.05 . 2 . . . . 25 G HA1 . 15685 1 174 . 1 1 25 25 GLY HA3 H 1 4.028 0.05 . 2 . . . . 25 G HA2 . 15685 1 175 . 1 1 25 25 GLY C C 13 171.151 0.5 . 1 . . . . 25 G C . 15685 1 176 . 1 1 25 25 GLY CA C 13 46.967 0.5 . 1 . . . . 25 G CA . 15685 1 177 . 1 1 25 25 GLY N N 15 103.388 0.5 . 1 . . . . 25 G N . 15685 1 178 . 1 1 26 26 THR H H 1 8.377 0.05 . 1 . . . . 26 T HN . 15685 1 179 . 1 1 26 26 THR HA H 1 4.602 0.05 . 1 . . . . 26 T HA . 15685 1 180 . 1 1 26 26 THR HB H 1 4.033 0.05 . 1 . . . . 26 T HB . 15685 1 181 . 1 1 26 26 THR HG21 H 1 1.280 0.05 . 1 . . . . 26 T HG21 . 15685 1 182 . 1 1 26 26 THR HG22 H 1 1.280 0.05 . 1 . . . . 26 T HG21 . 15685 1 183 . 1 1 26 26 THR HG23 H 1 1.280 0.05 . 1 . . . . 26 T HG21 . 15685 1 184 . 1 1 26 26 THR C C 13 172.270 0.5 . 1 . . . . 26 T C . 15685 1 185 . 1 1 26 26 THR CA C 13 61.235 0.5 . 1 . . . . 26 T CA . 15685 1 186 . 1 1 26 26 THR CB C 13 72.357 0.5 . 1 . . . . 26 T CB . 15685 1 187 . 1 1 26 26 THR CG2 C 13 22.349 0.5 . 1 . . . . 26 T CG2 . 15685 1 188 . 1 1 26 26 THR N N 15 112.419 0.5 . 1 . . . . 26 T N . 15685 1 189 . 1 1 27 27 CYS H H 1 8.832 0.05 . 1 . . . . 27 C HN . 15685 1 190 . 1 1 27 27 CYS HA H 1 5.899 0.05 . 1 . . . . 27 C HA . 15685 1 191 . 1 1 27 27 CYS HB2 H 1 3.173 0.05 . 2 . . . . 27 C HB1 . 15685 1 192 . 1 1 27 27 CYS HB3 H 1 3.049 0.05 . 2 . . . . 27 C HB2 . 15685 1 193 . 1 1 27 27 CYS C C 13 173.941 0.5 . 1 . . . . 27 C C . 15685 1 194 . 1 1 27 27 CYS CA C 13 55.968 0.5 . 1 . . . . 27 C CA . 15685 1 195 . 1 1 27 27 CYS CB C 13 41.940 0.5 . 1 . . . . 27 C CB . 15685 1 196 . 1 1 27 27 CYS N N 15 126.853 0.5 . 1 . . . . 27 C N . 15685 1 197 . 1 1 28 28 LYS H H 1 9.271 0.05 . 1 . . . . 28 K HN . 15685 1 198 . 1 1 28 28 LYS HA H 1 4.752 0.05 . 1 . . . . 28 K HA . 15685 1 199 . 1 1 28 28 LYS HB2 H 1 1.882 0.05 . 2 . . . . 28 K HB1 . 15685 1 200 . 1 1 28 28 LYS HB3 H 1 1.841 0.05 . 2 . . . . 28 K HB2 . 15685 1 201 . 1 1 28 28 LYS HD2 H 1 1.855 0.05 . 2 . . . . 28 K HD1 . 15685 1 202 . 1 1 28 28 LYS HD3 H 1 1.779 0.05 . 2 . . . . 28 K HD2 . 15685 1 203 . 1 1 28 28 LYS HE2 H 1 3.104 0.05 . 2 . . . . 28 K HE1 . 15685 1 204 . 1 1 28 28 LYS HE3 H 1 3.104 0.05 . 2 . . . . 28 K HE2 . 15685 1 205 . 1 1 28 28 LYS HG2 H 1 1.613 0.05 . 2 . . . . 28 K HG1 . 15685 1 206 . 1 1 28 28 LYS HG3 H 1 1.564 0.05 . 2 . . . . 28 K HG2 . 15685 1 207 . 1 1 28 28 LYS C C 13 174.732 0.5 . 1 . . . . 28 K C . 15685 1 208 . 1 1 28 28 LYS CA C 13 56.416 0.5 . 1 . . . . 28 K CA . 15685 1 209 . 1 1 28 28 LYS CB C 13 37.090 0.5 . 1 . . . . 28 K CB . 15685 1 210 . 1 1 28 28 LYS CD C 13 30.220 0.5 . 1 . . . . 28 K CD . 15685 1 211 . 1 1 28 28 LYS CE C 13 43.011 0.5 . 1 . . . . 28 K CE . 15685 1 212 . 1 1 28 28 LYS CG C 13 25.406 0.5 . 1 . . . . 28 K CG . 15685 1 213 . 1 1 28 28 LYS N N 15 131.417 0.5 . 1 . . . . 28 K N . 15685 1 214 . 1 1 29 29 GLU H H 1 8.935 0.05 . 1 . . . . 29 E HN . 15685 1 215 . 1 1 29 29 GLU HA H 1 4.576 0.05 . 1 . . . . 29 E HA . 15685 1 216 . 1 1 29 29 GLU HB2 H 1 2.230 0.05 . 2 . . . . 29 E HB1 . 15685 1 217 . 1 1 29 29 GLU HB3 H 1 2.170 0.05 . 2 . . . . 29 E HB2 . 15685 1 218 . 1 1 29 29 GLU HG2 H 1 2.625 0.05 . 2 . . . . 29 E HG1 . 15685 1 219 . 1 1 29 29 GLU HG3 H 1 2.514 0.05 . 2 . . . . 29 E HG2 . 15685 1 220 . 1 1 29 29 GLU C C 13 176.552 0.5 . 1 . . . . 29 E C . 15685 1 221 . 1 1 29 29 GLU CA C 13 58.580 0.5 . 1 . . . . 29 E CA . 15685 1 222 . 1 1 29 29 GLU CB C 13 30.809 0.5 . 1 . . . . 29 E CB . 15685 1 223 . 1 1 29 29 GLU CG C 13 38.396 0.5 . 1 . . . . 29 E CG . 15685 1 224 . 1 1 29 29 GLU N N 15 127.632 0.5 . 1 . . . . 29 E N . 15685 1 225 . 1 1 30 30 THR H H 1 8.025 0.05 . 1 . . . . 30 T HN . 15685 1 226 . 1 1 30 30 THR HA H 1 4.795 0.05 . 1 . . . . 30 T HA . 15685 1 227 . 1 1 30 30 THR HB H 1 4.576 0.05 . 1 . . . . 30 T HB . 15685 1 228 . 1 1 30 30 THR HG21 H 1 1.175 0.05 . 1 . . . . 30 T HG21 . 15685 1 229 . 1 1 30 30 THR HG22 H 1 1.175 0.05 . 1 . . . . 30 T HG21 . 15685 1 230 . 1 1 30 30 THR HG23 H 1 1.175 0.05 . 1 . . . . 30 T HG21 . 15685 1 231 . 1 1 30 30 THR C C 13 174.851 0.5 . 1 . . . . 30 T C . 15685 1 232 . 1 1 30 30 THR CA C 13 59.926 0.5 . 1 . . . . 30 T CA . 15685 1 233 . 1 1 30 30 THR CB C 13 71.254 0.5 . 1 . . . . 30 T CB . 15685 1 234 . 1 1 30 30 THR CG2 C 13 22.310 0.5 . 1 . . . . 30 T CG2 . 15685 1 235 . 1 1 30 30 THR N N 15 114.697 0.5 . 1 . . . . 30 T N . 15685 1 236 . 1 1 31 31 ASN H H 1 9.121 0.05 . 1 . . . . 31 N HN . 15685 1 237 . 1 1 31 31 ASN HA H 1 4.642 0.05 . 1 . . . . 31 N HA . 15685 1 238 . 1 1 31 31 ASN HB2 H 1 2.922 0.05 . 2 . . . . 31 N HB1 . 15685 1 239 . 1 1 31 31 ASN HB3 H 1 2.875 0.05 . 2 . . . . 31 N HB2 . 15685 1 240 . 1 1 31 31 ASN C C 13 175.895 0.5 . 1 . . . . 31 N C . 15685 1 241 . 1 1 31 31 ASN CA C 13 56.192 0.5 . 1 . . . . 31 N CA . 15685 1 242 . 1 1 31 31 ASN CB C 13 39.030 0.5 . 1 . . . . 31 N CB . 15685 1 243 . 1 1 31 31 ASN N N 15 117.773 0.5 . 1 . . . . 31 N N . 15685 1 244 . 1 1 32 32 SER H H 1 8.305 0.05 . 1 . . . . 32 S HN . 15685 1 245 . 1 1 32 32 SER HA H 1 4.781 0.05 . 1 . . . . 32 S HA . 15685 1 246 . 1 1 32 32 SER HB2 H 1 4.284 0.05 . 2 . . . . 32 S HB1 . 15685 1 247 . 1 1 32 32 SER HB3 H 1 3.955 0.05 . 2 . . . . 32 S HB2 . 15685 1 248 . 1 1 32 32 SER C C 13 173.553 0.5 . 1 . . . . 32 S C . 15685 1 249 . 1 1 32 32 SER CA C 13 57.924 0.5 . 1 . . . . 32 S CA . 15685 1 250 . 1 1 32 32 SER CB C 13 65.565 0.5 . 1 . . . . 32 S CB . 15685 1 251 . 1 1 32 32 SER N N 15 111.460 0.5 . 1 . . . . 32 S N . 15685 1 252 . 1 1 33 33 GLY H H 1 7.500 0.05 . 1 . . . . 33 G HN . 15685 1 253 . 1 1 33 33 GLY HA2 H 1 4.898 0.05 . 2 . . . . 33 G HA1 . 15685 1 254 . 1 1 33 33 GLY HA3 H 1 3.977 0.05 . 2 . . . . 33 G HA2 . 15685 1 255 . 1 1 33 33 GLY C C 13 172.016 0.5 . 1 . . . . 33 G C . 15685 1 256 . 1 1 33 33 GLY CA C 13 47.163 0.5 . 1 . . . . 33 G CA . 15685 1 257 . 1 1 33 33 GLY N N 15 114.019 0.5 . 1 . . . . 33 G N . 15685 1 258 . 1 1 34 34 TYR H H 1 7.777 0.05 . 1 . . . . 34 Y HN . 15685 1 259 . 1 1 34 34 TYR HA H 1 5.461 0.05 . 1 . . . . 34 Y HA . 15685 1 260 . 1 1 34 34 TYR HB2 H 1 3.097 0.05 . 2 . . . . 34 Y HB1 . 15685 1 261 . 1 1 34 34 TYR HB3 H 1 2.979 0.05 . 2 . . . . 34 Y HB2 . 15685 1 262 . 1 1 34 34 TYR HD1 H 1 6.807 0.05 . 3 . . . . 34 Y HD1 . 15685 1 263 . 1 1 34 34 TYR HD2 H 1 6.807 0.05 . 3 . . . . 34 Y HD2 . 15685 1 264 . 1 1 34 34 TYR HE1 H 1 6.729 0.05 . 3 . . . . 34 Y HE1 . 15685 1 265 . 1 1 34 34 TYR HE2 H 1 6.729 0.05 . 3 . . . . 34 Y HE2 . 15685 1 266 . 1 1 34 34 TYR C C 13 171.583 0.5 . 1 . . . . 34 Y C . 15685 1 267 . 1 1 34 34 TYR CA C 13 56.813 0.5 . 1 . . . . 34 Y CA . 15685 1 268 . 1 1 34 34 TYR CB C 13 40.403 0.5 . 1 . . . . 34 Y CB . 15685 1 269 . 1 1 34 34 TYR CD1 C 13 133.899 0.5 . 3 . . . . 34 Y CD1 . 15685 1 270 . 1 1 34 34 TYR CD2 C 13 133.899 0.5 . 3 . . . . 34 Y CD2 . 15685 1 271 . 1 1 34 34 TYR CE1 C 13 117.496 0.5 . 3 . . . . 34 Y CE1 . 15685 1 272 . 1 1 34 34 TYR CE2 C 13 117.496 0.5 . 3 . . . . 34 Y CE2 . 15685 1 273 . 1 1 34 34 TYR N N 15 120.852 0.5 . 1 . . . . 34 Y N . 15685 1 274 . 1 1 35 35 ILE H H 1 9.143 0.05 . 1 . . . . 35 I HN . 15685 1 275 . 1 1 35 35 ILE HA H 1 4.978 0.05 . 1 . . . . 35 I HA . 15685 1 276 . 1 1 35 35 ILE HB H 1 1.843 0.05 . 1 . . . . 35 I HB . 15685 1 277 . 1 1 35 35 ILE HD11 H 1 0.933 0.05 . 1 . . . . 35 I HD11 . 15685 1 278 . 1 1 35 35 ILE HD12 H 1 0.933 0.05 . 1 . . . . 35 I HD11 . 15685 1 279 . 1 1 35 35 ILE HD13 H 1 0.933 0.05 . 1 . . . . 35 I HD11 . 15685 1 280 . 1 1 35 35 ILE HG12 H 1 1.748 0.05 . 1 . . . . 35 I HG11 . 15685 1 281 . 1 1 35 35 ILE HG13 H 1 1.113 0.05 . 1 . . . . 35 I HG12 . 15685 1 282 . 1 1 35 35 ILE HG21 H 1 1.105 0.05 . 2 . . . . 35 I HG21 . 15685 1 283 . 1 1 35 35 ILE HG22 H 1 1.105 0.05 . 2 . . . . 35 I HG21 . 15685 1 284 . 1 1 35 35 ILE HG23 H 1 1.105 0.05 . 2 . . . . 35 I HG21 . 15685 1 285 . 1 1 35 35 ILE C C 13 176.821 0.5 . 1 . . . . 35 I C . 15685 1 286 . 1 1 35 35 ILE CA C 13 60.370 0.5 . 1 . . . . 35 I CA . 15685 1 287 . 1 1 35 35 ILE CB C 13 43.955 0.5 . 1 . . . . 35 I CB . 15685 1 288 . 1 1 35 35 ILE CD1 C 13 15.998 0.5 . 1 . . . . 35 I CD1 . 15685 1 289 . 1 1 35 35 ILE CG1 C 13 28.705 0.5 . 2 . . . . 35 I CG1 . 15685 1 290 . 1 1 35 35 ILE CG2 C 13 17.934 0.5 . 1 . . . . 35 I CG2 . 15685 1 291 . 1 1 35 35 ILE N N 15 119.497 0.5 . 1 . . . . 35 I N . 15685 1 292 . 1 1 36 36 CYS H H 1 9.290 0.05 . 1 . . . . 36 C HN . 15685 1 293 . 1 1 36 36 CYS HA H 1 5.903 0.05 . 1 . . . . 36 C HA . 15685 1 294 . 1 1 36 36 CYS HB2 H 1 2.812 0.05 . 2 . . . . 36 C HB1 . 15685 1 295 . 1 1 36 36 CYS HB3 H 1 2.361 0.05 . 2 . . . . 36 C HB2 . 15685 1 296 . 1 1 36 36 CYS C C 13 173.702 0.5 . 1 . . . . 36 C C . 15685 1 297 . 1 1 36 36 CYS CA C 13 52.983 0.5 . 1 . . . . 36 C CA . 15685 1 298 . 1 1 36 36 CYS CB C 13 41.269 0.5 . 1 . . . . 36 C CB . 15685 1 299 . 1 1 36 36 CYS N N 15 121.628 0.5 . 1 . . . . 36 C N . 15685 1 300 . 1 1 37 37 ARG H H 1 8.549 0.05 . 1 . . . . 37 R HN . 15685 1 301 . 1 1 37 37 ARG HA H 1 4.854 0.05 . 1 . . . . 37 R HA . 15685 1 302 . 1 1 37 37 ARG HB2 H 1 2.033 0.05 . 2 . . . . 37 R HB1 . 15685 1 303 . 1 1 37 37 ARG HB3 H 1 1.791 0.05 . 2 . . . . 37 R HB2 . 15685 1 304 . 1 1 37 37 ARG HD2 H 1 3.409 0.05 . 2 . . . . 37 R HD1 . 15685 1 305 . 1 1 37 37 ARG HD3 H 1 3.325 0.05 . 2 . . . . 37 R HD2 . 15685 1 306 . 1 1 37 37 ARG HG2 H 1 1.803 0.05 . 2 . . . . 37 R HG1 . 15685 1 307 . 1 1 37 37 ARG HG3 H 1 1.646 0.05 . 2 . . . . 37 R HG2 . 15685 1 308 . 1 1 37 37 ARG C C 13 176.298 0.5 . 1 . . . . 37 R C . 15685 1 309 . 1 1 37 37 ARG CA C 13 55.803 0.5 . 1 . . . . 37 R CA . 15685 1 310 . 1 1 37 37 ARG CB C 13 32.408 0.5 . 1 . . . . 37 R CB . 15685 1 311 . 1 1 37 37 ARG CD C 13 44.339 0.5 . 1 . . . . 37 R CD . 15685 1 312 . 1 1 37 37 ARG CG C 13 27.953 0.5 . 1 . . . . 37 R CG . 15685 1 313 . 1 1 37 37 ARG N N 15 123.487 0.5 . 1 . . . . 37 R N . 15685 1 314 . 1 1 38 38 CYS H H 1 8.149 0.05 . 1 . . . . 38 C HN . 15685 1 315 . 1 1 38 38 CYS HA H 1 5.406 0.05 . 1 . . . . 38 C HA . 15685 1 316 . 1 1 38 38 CYS HB2 H 1 3.363 0.05 . 2 . . . . 38 C HB1 . 15685 1 317 . 1 1 38 38 CYS HB3 H 1 2.757 0.05 . 2 . . . . 38 C HB2 . 15685 1 318 . 1 1 38 38 CYS C C 13 175.627 0.5 . 1 . . . . 38 C C . 15685 1 319 . 1 1 38 38 CYS CA C 13 53.729 0.5 . 1 . . . . 38 C CA . 15685 1 320 . 1 1 38 38 CYS CB C 13 36.867 0.5 . 1 . . . . 38 C CB . 15685 1 321 . 1 1 38 38 CYS N N 15 122.950 0.5 . 1 . . . . 38 C N . 15685 1 322 . 1 1 39 39 ASN H H 1 8.537 0.05 . 1 . . . . 39 N HN . 15685 1 323 . 1 1 39 39 ASN HA H 1 4.949 0.05 . 1 . . . . 39 N HA . 15685 1 324 . 1 1 39 39 ASN HB2 H 1 3.056 0.05 . 2 . . . . 39 N HB1 . 15685 1 325 . 1 1 39 39 ASN HB3 H 1 2.464 0.05 . 2 . . . . 39 N HB2 . 15685 1 326 . 1 1 39 39 ASN C C 13 174.732 0.5 . 1 . . . . 39 N C . 15685 1 327 . 1 1 39 39 ASN CA C 13 53.207 0.5 . 1 . . . . 39 N CA . 15685 1 328 . 1 1 39 39 ASN CB C 13 39.478 0.5 . 1 . . . . 39 N CB . 15685 1 329 . 1 1 39 39 ASN N N 15 123.482 0.5 . 1 . . . . 39 N N . 15685 1 330 . 1 1 40 40 GLN H H 1 8.585 0.05 . 1 . . . . 40 Q HN . 15685 1 331 . 1 1 40 40 GLN HA H 1 4.320 0.05 . 1 . . . . 40 Q HA . 15685 1 332 . 1 1 40 40 GLN HB2 H 1 2.160 0.05 . 2 . . . . 40 Q HB1 . 15685 1 333 . 1 1 40 40 GLN HB3 H 1 2.063 0.05 . 2 . . . . 40 Q HB2 . 15685 1 334 . 1 1 40 40 GLN HG2 H 1 2.465 0.05 . 2 . . . . 40 Q HG1 . 15685 1 335 . 1 1 40 40 GLN HG3 H 1 2.465 0.05 . 2 . . . . 40 Q HG2 . 15685 1 336 . 1 1 40 40 GLN C C 13 177.223 0.5 . 1 . . . . 40 Q C . 15685 1 337 . 1 1 40 40 GLN CA C 13 58.858 0.5 . 1 . . . . 40 Q CA . 15685 1 338 . 1 1 40 40 GLN CB C 13 29.142 0.5 . 1 . . . . 40 Q CB . 15685 1 339 . 1 1 40 40 GLN CG C 13 34.151 0.5 . 1 . . . . 40 Q CG . 15685 1 340 . 1 1 40 40 GLN N N 15 119.587 0.5 . 1 . . . . 40 Q N . 15685 1 341 . 1 1 41 41 GLY H H 1 9.092 0.05 . 1 . . . . 41 G HN . 15685 1 342 . 1 1 41 41 GLY HA2 H 1 4.338 0.05 . 2 . . . . 41 G HA1 . 15685 1 343 . 1 1 41 41 GLY HA3 H 1 3.631 0.05 . 2 . . . . 41 G HA2 . 15685 1 344 . 1 1 41 41 GLY C C 13 173.434 0.5 . 1 . . . . 41 G C . 15685 1 345 . 1 1 41 41 GLY CA C 13 45.223 0.5 . 1 . . . . 41 G CA . 15685 1 346 . 1 1 41 41 GLY N N 15 113.530 0.5 . 1 . . . . 41 G N . 15685 1 347 . 1 1 42 42 TYR H H 1 8.473 0.05 . 1 . . . . 42 Y HN . 15685 1 348 . 1 1 42 42 TYR HA H 1 5.227 0.05 . 1 . . . . 42 Y HA . 15685 1 349 . 1 1 42 42 TYR HB2 H 1 3.451 0.05 . 2 . . . . 42 Y HB1 . 15685 1 350 . 1 1 42 42 TYR HB3 H 1 2.646 0.05 . 2 . . . . 42 Y HB2 . 15685 1 351 . 1 1 42 42 TYR HD1 H 1 6.652 0.05 . 3 . . . . 42 Y HD1 . 15685 1 352 . 1 1 42 42 TYR HD2 H 1 6.652 0.05 . 3 . . . . 42 Y HD2 . 15685 1 353 . 1 1 42 42 TYR HE1 H 1 6.684 0.05 . 3 . . . . 42 Y HE1 . 15685 1 354 . 1 1 42 42 TYR HE2 H 1 6.684 0.05 . 3 . . . . 42 Y HE2 . 15685 1 355 . 1 1 42 42 TYR C C 13 174.060 0.5 . 1 . . . . 42 Y C . 15685 1 356 . 1 1 42 42 TYR CA C 13 57.414 0.5 . 1 . . . . 42 Y CA . 15685 1 357 . 1 1 42 42 TYR CB C 13 42.302 0.5 . 1 . . . . 42 Y CB . 15685 1 358 . 1 1 42 42 TYR CD1 C 13 132.805 0.5 . 3 . . . . 42 Y CD1 . 15685 1 359 . 1 1 42 42 TYR CD2 C 13 132.805 0.5 . 3 . . . . 42 Y CD2 . 15685 1 360 . 1 1 42 42 TYR CE1 C 13 118.043 0.5 . 3 . . . . 42 Y CE1 . 15685 1 361 . 1 1 42 42 TYR CE2 C 13 118.043 0.5 . 3 . . . . 42 Y CE2 . 15685 1 362 . 1 1 42 42 TYR N N 15 121.004 0.5 . 1 . . . . 42 Y N . 15685 1 363 . 1 1 43 43 ARG H H 1 9.797 0.05 . 1 . . . . 43 R HN . 15685 1 364 . 1 1 43 43 ARG HA H 1 4.737 0.05 . 1 . . . . 43 R HA . 15685 1 365 . 1 1 43 43 ARG HB2 H 1 1.850 0.05 . 2 . . . . 43 R HB1 . 15685 1 366 . 1 1 43 43 ARG HB3 H 1 1.565 0.05 . 2 . . . . 43 R HB2 . 15685 1 367 . 1 1 43 43 ARG HD2 H 1 3.051 0.05 . 2 . . . . 43 R HD1 . 15685 1 368 . 1 1 43 43 ARG HD3 H 1 2.961 0.05 . 2 . . . . 43 R HD2 . 15685 1 369 . 1 1 43 43 ARG HG2 H 1 1.434 0.05 . 2 . . . . 43 R HG1 . 15685 1 370 . 1 1 43 43 ARG HG3 H 1 1.359 0.05 . 2 . . . . 43 R HG2 . 15685 1 371 . 1 1 43 43 ARG C C 13 174.180 0.5 . 1 . . . . 43 R C . 15685 1 372 . 1 1 43 43 ARG CA C 13 54.443 0.5 . 1 . . . . 43 R CA . 15685 1 373 . 1 1 43 43 ARG CB C 13 34.321 0.5 . 1 . . . . 43 R CB . 15685 1 374 . 1 1 43 43 ARG CD C 13 44.254 0.5 . 1 . . . . 43 R CD . 15685 1 375 . 1 1 43 43 ARG CG C 13 25.915 0.5 . 1 . . . . 43 R CG . 15685 1 376 . 1 1 43 43 ARG N N 15 117.673 0.5 . 1 . . . . 43 R N . 15685 1 377 . 1 1 44 44 ILE H H 1 8.694 0.05 . 1 . . . . 44 I HN . 15685 1 378 . 1 1 44 44 ILE HA H 1 4.512 0.05 . 1 . . . . 44 I HA . 15685 1 379 . 1 1 44 44 ILE HB H 1 1.850 0.05 . 1 . . . . 44 I HB . 15685 1 380 . 1 1 44 44 ILE HD11 H 1 0.433 0.05 . 1 . . . . 44 I HD11 . 15685 1 381 . 1 1 44 44 ILE HD12 H 1 0.433 0.05 . 1 . . . . 44 I HD11 . 15685 1 382 . 1 1 44 44 ILE HD13 H 1 0.433 0.05 . 1 . . . . 44 I HD11 . 15685 1 383 . 1 1 44 44 ILE HG12 H 1 1.719 0.05 . 1 . . . . 44 I HG11 . 15685 1 384 . 1 1 44 44 ILE HG13 H 1 1.124 0.05 . 1 . . . . 44 I HG12 . 15685 1 385 . 1 1 44 44 ILE HG21 H 1 0.620 0.05 . 2 . . . . 44 I HG21 . 15685 1 386 . 1 1 44 44 ILE HG22 H 1 0.620 0.05 . 2 . . . . 44 I HG21 . 15685 1 387 . 1 1 44 44 ILE HG23 H 1 0.620 0.05 . 2 . . . . 44 I HG21 . 15685 1 388 . 1 1 44 44 ILE C C 13 177.402 0.5 . 1 . . . . 44 I C . 15685 1 389 . 1 1 44 44 ILE CA C 13 58.688 0.5 . 1 . . . . 44 I CA . 15685 1 390 . 1 1 44 44 ILE CB C 13 35.764 0.5 . 1 . . . . 44 I CB . 15685 1 391 . 1 1 44 44 ILE CD1 C 13 11.906 0.5 . 1 . . . . 44 I CD1 . 15685 1 392 . 1 1 44 44 ILE CG1 C 13 26.170 0.5 . 2 . . . . 44 I CG1 . 15685 1 393 . 1 1 44 44 ILE CG2 C 13 18.953 0.5 . 1 . . . . 44 I CG2 . 15685 1 394 . 1 1 44 44 ILE N N 15 123.793 0.5 . 1 . . . . 44 I N . 15685 1 395 . 1 1 45 45 SER H H 1 9.076 0.05 . 1 . . . . 45 S HN . 15685 1 396 . 1 1 45 45 SER HA H 1 4.635 0.05 . 1 . . . . 45 S HA . 15685 1 397 . 1 1 45 45 SER HB2 H 1 3.534 0.05 . 2 . . . . 45 S HB1 . 15685 1 398 . 1 1 45 45 SER HB3 H 1 3.534 0.05 . 2 . . . . 45 S HB2 . 15685 1 399 . 1 1 45 45 SER C C 13 173.290 0.5 . 1 . . . . 45 S C . 15685 1 400 . 1 1 45 45 SER CA C 13 56.735 0.5 . 1 . . . . 45 S CA . 15685 1 401 . 1 1 45 45 SER CB C 13 65.565 0.5 . 1 . . . . 45 S CB . 15685 1 402 . 1 1 45 45 SER N N 15 122.186 0.5 . 1 . . . . 45 S N . 15685 1 403 . 1 1 46 46 LEU H H 1 8.327 0.05 . 1 . . . . 46 L HN . 15685 1 404 . 1 1 46 46 LEU HA H 1 4.934 0.05 . 1 . . . . 46 L HA . 15685 1 405 . 1 1 46 46 LEU HB2 H 1 1.748 0.05 . 2 . . . . 46 L HB1 . 15685 1 406 . 1 1 46 46 LEU HB3 H 1 1.002 0.05 . 2 . . . . 46 L HB2 . 15685 1 407 . 1 1 46 46 LEU HD11 H 1 0.516 0.05 . 2 . . . . 46 L HD11 . 15685 1 408 . 1 1 46 46 LEU HD12 H 1 0.516 0.05 . 2 . . . . 46 L HD11 . 15685 1 409 . 1 1 46 46 LEU HD13 H 1 0.516 0.05 . 2 . . . . 46 L HD11 . 15685 1 410 . 1 1 46 46 LEU HD21 H 1 0.516 0.05 . 2 . . . . 46 L HD21 . 15685 1 411 . 1 1 46 46 LEU HD22 H 1 0.516 0.05 . 2 . . . . 46 L HD21 . 15685 1 412 . 1 1 46 46 LEU HD23 H 1 0.516 0.05 . 2 . . . . 46 L HD21 . 15685 1 413 . 1 1 46 46 LEU HG H 1 1.363 0.05 . 1 . . . . 46 L HG . 15685 1 414 . 1 1 46 46 LEU C C 13 175.448 0.5 . 1 . . . . 46 L C . 15685 1 415 . 1 1 46 46 LEU CA C 13 54.188 0.5 . 1 . . . . 46 L CA . 15685 1 416 . 1 1 46 46 LEU CB C 13 44.679 0.5 . 1 . . . . 46 L CB . 15685 1 417 . 1 1 46 46 LEU CD1 C 13 26.764 0.5 . 1 . . . . 46 L CD1 . 15685 1 418 . 1 1 46 46 LEU CD2 C 13 25.576 0.5 . 1 . . . . 46 L CD2 . 15685 1 419 . 1 1 46 46 LEU CG C 13 27.528 0.5 . 1 . . . . 46 L CG . 15685 1 420 . 1 1 46 46 LEU N N 15 133.585 0.5 . 1 . . . . 46 L N . 15685 1 421 . 1 1 47 47 ASP H H 1 8.308 0.05 . 1 . . . . 47 D HN . 15685 1 422 . 1 1 47 47 ASP HA H 1 4.956 0.05 . 1 . . . . 47 D HA . 15685 1 423 . 1 1 47 47 ASP HB2 H 1 3.173 0.05 . 2 . . . . 47 D HB1 . 15685 1 424 . 1 1 47 47 ASP HB3 H 1 2.705 0.05 . 2 . . . . 47 D HB2 . 15685 1 425 . 1 1 47 47 ASP C C 13 177.104 0.5 . 1 . . . . 47 D C . 15685 1 426 . 1 1 47 47 ASP CA C 13 52.610 0.5 . 1 . . . . 47 D CA . 15685 1 427 . 1 1 47 47 ASP CB C 13 42.761 0.5 . 1 . . . . 47 D CB . 15685 1 428 . 1 1 47 47 ASP N N 15 125.937 0.5 . 1 . . . . 47 D N . 15685 1 429 . 1 1 48 48 GLY H H 1 8.222 0.05 . 1 . . . . 48 G HN . 15685 1 430 . 1 1 48 48 GLY HA2 H 1 3.749 0.05 . 2 . . . . 48 G HA1 . 15685 1 431 . 1 1 48 48 GLY HA3 H 1 3.749 0.05 . 2 . . . . 48 G HA2 . 15685 1 432 . 1 1 48 48 GLY C C 13 174.856 0.5 . 1 . . . . 48 G C . 15685 1 433 . 1 1 48 48 GLY CA C 13 46.790 0.5 . 1 . . . . 48 G CA . 15685 1 434 . 1 1 48 48 GLY N N 15 102.197 0.5 . 1 . . . . 48 G N . 15685 1 435 . 1 1 49 49 THR H H 1 8.511 0.05 . 1 . . . . 49 T HN . 15685 1 436 . 1 1 49 49 THR HA H 1 4.477 0.05 . 1 . . . . 49 T HA . 15685 1 437 . 1 1 49 49 THR HB H 1 4.324 0.05 . 1 . . . . 49 T HB . 15685 1 438 . 1 1 49 49 THR HG21 H 1 1.155 0.05 . 1 . . . . 49 T HG21 . 15685 1 439 . 1 1 49 49 THR HG22 H 1 1.155 0.05 . 1 . . . . 49 T HG21 . 15685 1 440 . 1 1 49 49 THR HG23 H 1 1.155 0.05 . 1 . . . . 49 T HG21 . 15685 1 441 . 1 1 49 49 THR C C 13 175.836 0.5 . 1 . . . . 49 T C . 15685 1 442 . 1 1 49 49 THR CA C 13 61.829 0.5 . 1 . . . . 49 T CA . 15685 1 443 . 1 1 49 49 THR CB C 13 70.744 0.5 . 1 . . . . 49 T CB . 15685 1 444 . 1 1 49 49 THR CG2 C 13 22.434 0.5 . 1 . . . . 49 T CG2 . 15685 1 445 . 1 1 49 49 THR N N 15 110.687 0.5 . 1 . . . . 49 T N . 15685 1 446 . 1 1 50 50 GLY H H 1 8.020 0.05 . 1 . . . . 50 G HN . 15685 1 447 . 1 1 50 50 GLY HA2 H 1 3.908 0.05 . 2 . . . . 50 G HA1 . 15685 1 448 . 1 1 50 50 GLY HA3 H 1 3.215 0.05 . 2 . . . . 50 G HA2 . 15685 1 449 . 1 1 50 50 GLY C C 13 171.001 0.5 . 1 . . . . 50 G C . 15685 1 450 . 1 1 50 50 GLY CA C 13 45.820 0.5 . 1 . . . . 50 G CA . 15685 1 451 . 1 1 50 50 GLY N N 15 111.311 0.5 . 1 . . . . 50 G N . 15685 1 452 . 1 1 51 51 ASN H H 1 7.518 0.05 . 1 . . . . 51 N HN . 15685 1 453 . 1 1 51 51 ASN HA H 1 4.796 0.05 . 1 . . . . 51 N HA . 15685 1 454 . 1 1 51 51 ASN HB2 H 1 2.803 0.05 . 2 . . . . 51 N HB1 . 15685 1 455 . 1 1 51 51 ASN HB3 H 1 2.664 0.05 . 2 . . . . 51 N HB2 . 15685 1 456 . 1 1 51 51 ASN C C 13 174.170 0.5 . 1 . . . . 51 N C . 15685 1 457 . 1 1 51 51 ASN CA C 13 53.339 0.5 . 1 . . . . 51 N CA . 15685 1 458 . 1 1 51 51 ASN CB C 13 41.198 0.5 . 1 . . . . 51 N CB . 15685 1 459 . 1 1 51 51 ASN N N 15 115.634 0.5 . 1 . . . . 51 N N . 15685 1 460 . 1 1 52 52 VAL H H 1 7.295 0.05 . 1 . . . . 52 V HN . 15685 1 461 . 1 1 52 52 VAL HA H 1 5.402 0.05 . 1 . . . . 52 V HA . 15685 1 462 . 1 1 52 52 VAL HB H 1 1.843 0.05 . 1 . . . . 52 V HB . 15685 1 463 . 1 1 52 52 VAL HG11 H 1 0.463 0.05 . 2 . . . . 52 V HG11 . 15685 1 464 . 1 1 52 52 VAL HG12 H 1 0.463 0.05 . 2 . . . . 52 V HG11 . 15685 1 465 . 1 1 52 52 VAL HG13 H 1 0.463 0.05 . 2 . . . . 52 V HG11 . 15685 1 466 . 1 1 52 52 VAL HG21 H 1 0.686 0.05 . 2 . . . . 52 V HG21 . 15685 1 467 . 1 1 52 52 VAL HG22 H 1 0.686 0.05 . 2 . . . . 52 V HG21 . 15685 1 468 . 1 1 52 52 VAL HG23 H 1 0.686 0.05 . 2 . . . . 52 V HG21 . 15685 1 469 . 1 1 52 52 VAL C C 13 173.881 0.5 . 1 . . . . 52 V C . 15685 1 470 . 1 1 52 52 VAL CA C 13 58.803 0.5 . 1 . . . . 52 V CA . 15685 1 471 . 1 1 52 52 VAL CB C 13 35.523 0.5 . 1 . . . . 52 V CB . 15685 1 472 . 1 1 52 52 VAL CG1 C 13 22.519 0.5 . 1 . . . . 52 V CG1 . 15685 1 473 . 1 1 52 52 VAL CG2 C 13 18.783 0.5 . 1 . . . . 52 V CG2 . 15685 1 474 . 1 1 52 52 VAL N N 15 109.212 0.5 . 1 . . . . 52 V N . 15685 1 475 . 1 1 53 53 THR H H 1 7.801 0.05 . 1 . . . . 53 T HN . 15685 1 476 . 1 1 53 53 THR HA H 1 4.613 0.05 . 1 . . . . 53 T HA . 15685 1 477 . 1 1 53 53 THR HB H 1 4.033 0.05 . 1 . . . . 53 T HB . 15685 1 478 . 1 1 53 53 THR HG21 H 1 1.037 0.05 . 1 . . . . 53 T HG21 . 15685 1 479 . 1 1 53 53 THR HG22 H 1 1.037 0.05 . 1 . . . . 53 T HG21 . 15685 1 480 . 1 1 53 53 THR HG23 H 1 1.037 0.05 . 1 . . . . 53 T HG21 . 15685 1 481 . 1 1 53 53 THR C C 13 172.127 0.5 . 1 . . . . 53 T C . 15685 1 482 . 1 1 53 53 THR CA C 13 61.745 0.5 . 1 . . . . 53 T CA . 15685 1 483 . 1 1 53 53 THR CB C 13 71.424 0.5 . 1 . . . . 53 T CB . 15685 1 484 . 1 1 53 53 THR CG2 C 13 19.196 0.5 . 1 . . . . 53 T CG2 . 15685 1 485 . 1 1 53 53 THR N N 15 113.185 0.5 . 1 . . . . 53 T N . 15685 1 486 . 1 1 54 54 CYS H H 1 7.865 0.05 . 1 . . . . 54 C HN . 15685 1 487 . 1 1 54 54 CYS HA H 1 5.102 0.05 . 1 . . . . 54 C HA . 15685 1 488 . 1 1 54 54 CYS HB2 H 1 3.179 0.05 . 2 . . . . 54 C HB1 . 15685 1 489 . 1 1 54 54 CYS HB3 H 1 2.573 0.05 . 2 . . . . 54 C HB2 . 15685 1 490 . 1 1 54 54 CYS C C 13 173.538 0.5 . 1 . . . . 54 C C . 15685 1 491 . 1 1 54 54 CYS CA C 13 56.266 0.5 . 1 . . . . 54 C CA . 15685 1 492 . 1 1 54 54 CYS CB C 13 42.836 0.5 . 1 . . . . 54 C CB . 15685 1 493 . 1 1 54 54 CYS N N 15 123.084 0.5 . 1 . . . . 54 C N . 15685 1 494 . 1 1 55 55 ILE H H 1 9.390 0.05 . 1 . . . . 55 I HN . 15685 1 495 . 1 1 55 55 ILE HA H 1 4.971 0.05 . 1 . . . . 55 I HA . 15685 1 496 . 1 1 55 55 ILE HB H 1 2.011 0.05 . 1 . . . . 55 I HB . 15685 1 497 . 1 1 55 55 ILE HD11 H 1 0.827 0.05 . 1 . . . . 55 I HD11 . 15685 1 498 . 1 1 55 55 ILE HD12 H 1 0.827 0.05 . 1 . . . . 55 I HD11 . 15685 1 499 . 1 1 55 55 ILE HD13 H 1 0.827 0.05 . 1 . . . . 55 I HD11 . 15685 1 500 . 1 1 55 55 ILE HG12 H 1 1.331 0.05 . 1 . . . . 55 I HG11 . 15685 1 501 . 1 1 55 55 ILE HG13 H 1 0.996 0.05 . 1 . . . . 55 I HG12 . 15685 1 502 . 1 1 55 55 ILE HG21 H 1 0.935 0.05 . 2 . . . . 55 I HG21 . 15685 1 503 . 1 1 55 55 ILE HG22 H 1 0.935 0.05 . 2 . . . . 55 I HG21 . 15685 1 504 . 1 1 55 55 ILE HG23 H 1 0.935 0.05 . 2 . . . . 55 I HG21 . 15685 1 505 . 1 1 55 55 ILE C C 13 175.522 0.5 . 1 . . . . 55 I C . 15685 1 506 . 1 1 55 55 ILE CA C 13 59.792 0.5 . 1 . . . . 55 I CA . 15685 1 507 . 1 1 55 55 ILE CB C 13 42.556 0.5 . 1 . . . . 55 I CB . 15685 1 508 . 1 1 55 55 ILE CD1 C 13 14.453 0.5 . 1 . . . . 55 I CD1 . 15685 1 509 . 1 1 55 55 ILE CG1 C 13 26.255 0.5 . 2 . . . . 55 I CG1 . 15685 1 510 . 1 1 55 55 ILE CG2 C 13 18.614 0.5 . 1 . . . . 55 I CG2 . 15685 1 511 . 1 1 55 55 ILE N N 15 118.967 0.5 . 1 . . . . 55 I N . 15685 1 512 . 1 1 56 56 VAL H H 1 8.383 0.05 . 1 . . . . 56 V HN . 15685 1 513 . 1 1 56 56 VAL HA H 1 3.348 0.05 . 1 . . . . 56 V HA . 15685 1 514 . 1 1 56 56 VAL HB H 1 1.799 0.05 . 1 . . . . 56 V HB . 15685 1 515 . 1 1 56 56 VAL HG11 H 1 0.790 0.05 . 2 . . . . 56 V HG11 . 15685 1 516 . 1 1 56 56 VAL HG12 H 1 0.790 0.05 . 2 . . . . 56 V HG11 . 15685 1 517 . 1 1 56 56 VAL HG13 H 1 0.790 0.05 . 2 . . . . 56 V HG11 . 15685 1 518 . 1 1 56 56 VAL HG21 H 1 0.728 0.05 . 2 . . . . 56 V HG21 . 15685 1 519 . 1 1 56 56 VAL HG22 H 1 0.728 0.05 . 2 . . . . 56 V HG21 . 15685 1 520 . 1 1 56 56 VAL HG23 H 1 0.728 0.05 . 2 . . . . 56 V HG21 . 15685 1 521 . 1 1 56 56 VAL C C 13 176.045 0.5 . 1 . . . . 56 V C . 15685 1 522 . 1 1 56 56 VAL CA C 13 64.207 0.5 . 1 . . . . 56 V CA . 15685 1 523 . 1 1 56 56 VAL CB C 13 32.708 0.5 . 1 . . . . 56 V CB . 15685 1 524 . 1 1 56 56 VAL CG1 C 13 22.689 0.5 . 1 . . . . 56 V CG1 . 15685 1 525 . 1 1 56 56 VAL CG2 C 13 21.246 0.5 . 1 . . . . 56 V CG2 . 15685 1 526 . 1 1 56 56 VAL N N 15 123.210 0.5 . 1 . . . . 56 V N . 15685 1 527 . 1 1 57 57 ARG H H 1 8.103 0.05 . 1 . . . . 57 R HN . 15685 1 528 . 1 1 57 57 ARG HA H 1 4.037 0.05 . 1 . . . . 57 R HA . 15685 1 529 . 1 1 57 57 ARG HB2 H 1 1.594 0.05 . 2 . . . . 57 R HB1 . 15685 1 530 . 1 1 57 57 ARG HB3 H 1 1.280 0.05 . 2 . . . . 57 R HB2 . 15685 1 531 . 1 1 57 57 ARG HD2 H 1 3.167 0.05 . 2 . . . . 57 R HD1 . 15685 1 532 . 1 1 57 57 ARG HD3 H 1 2.965 0.05 . 2 . . . . 57 R HD2 . 15685 1 533 . 1 1 57 57 ARG HG2 H 1 1.334 0.05 . 2 . . . . 57 R HG1 . 15685 1 534 . 1 1 57 57 ARG HG3 H 1 1.334 0.05 . 2 . . . . 57 R HG2 . 15685 1 535 . 1 1 57 57 ARG C C 13 175.537 0.5 . 1 . . . . 57 R C . 15685 1 536 . 1 1 57 57 ARG CA C 13 57.160 0.5 . 1 . . . . 57 R CA . 15685 1 537 . 1 1 57 57 ARG CB C 13 31.094 0.5 . 1 . . . . 57 R CB . 15685 1 538 . 1 1 57 57 ARG CD C 13 43.745 0.5 . 1 . . . . 57 R CD . 15685 1 539 . 1 1 57 57 ARG CG C 13 28.802 0.5 . 1 . . . . 57 R CG . 15685 1 540 . 1 1 57 57 ARG N N 15 126.630 0.5 . 1 . . . . 57 R N . 15685 1 541 . 1 1 58 58 GLN H H 1 8.268 0.05 . 1 . . . . 58 Q HN . 15685 1 542 . 1 1 58 58 GLN HA H 1 4.313 0.05 . 1 . . . . 58 Q HA . 15685 1 543 . 1 1 58 58 GLN HB2 H 1 2.047 0.05 . 2 . . . . 58 Q HB1 . 15685 1 544 . 1 1 58 58 GLN HB3 H 1 1.894 0.05 . 2 . . . . 58 Q HB2 . 15685 1 545 . 1 1 58 58 GLN HG2 H 1 2.293 0.05 . 2 . . . . 58 Q HG1 . 15685 1 546 . 1 1 58 58 GLN HG3 H 1 2.293 0.05 . 2 . . . . 58 Q HG2 . 15685 1 547 . 1 1 58 58 GLN C C 13 175.612 0.5 . 1 . . . . 58 Q C . 15685 1 548 . 1 1 58 58 GLN CA C 13 56.141 0.5 . 1 . . . . 58 Q CA . 15685 1 549 . 1 1 58 58 GLN CB C 13 30.245 0.5 . 1 . . . . 58 Q CB . 15685 1 550 . 1 1 58 58 GLN CG C 13 34.151 0.5 . 1 . . . . 58 Q CG . 15685 1 551 . 1 1 58 58 GLN N N 15 124.859 0.5 . 1 . . . . 58 Q N . 15685 1 552 . 1 1 59 59 GLU H H 1 8.482 0.05 . 1 . . . . 59 E HN . 15685 1 553 . 1 1 59 59 GLU HA H 1 4.284 0.05 . 1 . . . . 59 E HA . 15685 1 554 . 1 1 59 59 GLU HB2 H 1 2.055 0.05 . 2 . . . . 59 E HB1 . 15685 1 555 . 1 1 59 59 GLU HB3 H 1 1.894 0.05 . 2 . . . . 59 E HB2 . 15685 1 556 . 1 1 59 59 GLU C C 13 176.343 0.5 . 1 . . . . 59 E C . 15685 1 557 . 1 1 59 59 GLU CA C 13 57.311 0.5 . 1 . . . . 59 E CA . 15685 1 558 . 1 1 59 59 GLU CB C 13 30.823 0.5 . 1 . . . . 59 E CB . 15685 1 559 . 1 1 59 59 GLU CG C 13 34.151 0.5 . 1 . . . . 59 E CG . 15685 1 560 . 1 1 59 59 GLU N N 15 123.482 0.5 . 1 . . . . 59 E N . 15685 1 561 . 1 1 60 60 SER H H 1 8.188 0.05 . 1 . . . . 60 S HN . 15685 1 562 . 1 1 60 60 SER HA H 1 4.423 0.05 . 1 . . . . 60 S HA . 15685 1 563 . 1 1 60 60 SER HB2 H 1 3.839 0.05 . 2 . . . . 60 S HB1 . 15685 1 564 . 1 1 60 60 SER HB3 H 1 3.839 0.05 . 2 . . . . 60 S HB2 . 15685 1 565 . 1 1 60 60 SER C C 13 173.896 0.5 . 1 . . . . 60 S C . 15685 1 566 . 1 1 60 60 SER CA C 13 58.953 0.5 . 1 . . . . 60 S CA . 15685 1 567 . 1 1 60 60 SER CB C 13 64.623 0.5 . 1 . . . . 60 S CB . 15685 1 568 . 1 1 60 60 SER N N 15 116.923 0.5 . 1 . . . . 60 S N . 15685 1 569 . 1 1 61 61 GLY H H 1 7.882 0.05 . 1 . . . . 61 G HN . 15685 1 570 . 1 1 61 61 GLY C C 13 178.909 0.5 . 1 . . . . 61 G C . 15685 1 571 . 1 1 61 61 GLY CA C 13 46.865 0.5 . 1 . . . . 61 G CA . 15685 1 572 . 1 1 61 61 GLY N N 15 117.474 0.5 . 1 . . . . 61 G N . 15685 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 15685 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15685 2 2 '3D CBCA(CO)NH' . . . 15685 2 3 '3D HNCACB' . . . 15685 2 4 '3D HBHA(CO)NH' . . . 15685 2 5 '3D HNCO' . . . 15685 2 6 '3D HN(CO)CA' . . . 15685 2 7 '3D HCCH-TOCSY' . . . 15685 2 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 . 2 2 2 2 LYS HA H 1 4.880 . . 1 . . . . 1 LYS HA . 15685 2 2 . 2 2 2 2 LYS HB2 H 1 1.848 . . 2 . . . . 1 LYS HB1 . 15685 2 3 . 2 2 2 2 LYS HB3 H 1 1.787 . . 2 . . . . 1 LYS HB2 . 15685 2 4 . 2 2 2 2 LYS HD2 H 1 1.682 . . 2 . . . . 1 LYS HD1 . 15685 2 5 . 2 2 2 2 LYS HD3 H 1 1.682 . . 2 . . . . 1 LYS HD2 . 15685 2 6 . 2 2 2 2 LYS HE2 H 1 2.958 . . 2 . . . . 1 LYS HE1 . 15685 2 7 . 2 2 2 2 LYS HE3 H 1 2.958 . . 2 . . . . 1 LYS HE2 . 15685 2 8 . 2 2 2 2 LYS HG2 H 1 1.390 . . 2 . . . . 1 LYS HG1 . 15685 2 9 . 2 2 2 2 LYS HG3 H 1 1.335 . . 2 . . . . 1 LYS HG2 . 15685 2 10 . 2 2 2 2 LYS C C 13 175.691 . . 1 . . . . 1 LYS C . 15685 2 11 . 2 2 2 2 LYS CA C 13 55.968 . . 1 . . . . 1 LYS CA . 15685 2 12 . 2 2 2 2 LYS CB C 13 33.956 . . 1 . . . . 1 LYS CB . 15685 2 13 . 2 2 2 2 LYS CD C 13 29.436 . . 1 . . . . 1 LYS CD . 15685 2 14 . 2 2 2 2 LYS CE C 13 42.110 . . 1 . . . . 1 LYS CE . 15685 2 15 . 2 2 2 2 LYS CG C 13 24.805 . . 1 . . . . 1 LYS CG . 15685 2 16 . 2 2 3 3 THR H H 1 8.812 . . 1 . . . . 2 THR HN . 15685 2 17 . 2 2 3 3 THR HA H 1 4.561 . . 1 . . . . 2 THR HA . 15685 2 18 . 2 2 3 3 THR HB H 1 4.103 . . 1 . . . . 2 THR HB . 15685 2 19 . 2 2 3 3 THR HG21 H 1 1.203 . . 1 . . . . 2 THR HG21 . 15685 2 20 . 2 2 3 3 THR HG22 H 1 1.203 . . 1 . . . . 2 THR HG21 . 15685 2 21 . 2 2 3 3 THR HG23 H 1 1.203 . . 1 . . . . 2 THR HG21 . 15685 2 22 . 2 2 3 3 THR C C 13 173.512 . . 1 . . . . 2 THR C . 15685 2 23 . 2 2 3 3 THR CA C 13 61.639 . . 1 . . . . 2 THR CA . 15685 2 24 . 2 2 3 3 THR CB C 13 70.519 . . 1 . . . . 2 THR CB . 15685 2 25 . 2 2 3 3 THR CG2 C 13 21.139 . . 1 . . . . 2 THR CG2 . 15685 2 26 . 2 2 3 3 THR N N 15 119.490 . . 1 . . . . 2 THR N . 15685 2 27 . 2 2 4 4 GLU H H 1 8.467 . . 1 . . . . 3 GLU HN . 15685 2 28 . 2 2 4 4 GLU HA H 1 4.470 . . 1 . . . . 3 GLU HA . 15685 2 29 . 2 2 4 4 GLU HB2 H 1 1.910 . . 2 . . . . 3 GLU HB1 . 15685 2 30 . 2 2 4 4 GLU HB3 H 1 1.910 . . 2 . . . . 3 GLU HB2 . 15685 2 31 . 2 2 4 4 GLU HG2 H 1 2.230 . . 2 . . . . 3 GLU HG1 . 15685 2 32 . 2 2 4 4 GLU HG3 H 1 2.100 . . 2 . . . . 3 GLU HG2 . 15685 2 33 . 2 2 4 4 GLU C C 13 175.512 . . 1 . . . . 3 GLU C . 15685 2 34 . 2 2 4 4 GLU CA C 13 56.192 . . 1 . . . . 3 GLU CA . 15685 2 35 . 2 2 4 4 GLU CB C 13 30.375 . . 1 . . . . 3 GLU CB . 15685 2 36 . 2 2 4 4 GLU CG C 13 36.435 . . 1 . . . . 3 GLU CG . 15685 2 37 . 2 2 4 4 GLU N N 15 125.338 . . 1 . . . . 3 GLU N . 15685 2 38 . 2 2 5 5 ILE H H 1 8.145 . . 1 . . . . 4 ILE HN . 15685 2 39 . 2 2 5 5 ILE HA H 1 4.026 . . 1 . . . . 4 ILE HA . 15685 2 40 . 2 2 5 5 ILE HB H 1 1.720 . . 1 . . . . 4 ILE HB . 15685 2 41 . 2 2 5 5 ILE HD11 H 1 0.580 . . 1 . . . . 4 ILE HD11 . 15685 2 42 . 2 2 5 5 ILE HD12 H 1 0.580 . . 1 . . . . 4 ILE HD11 . 15685 2 43 . 2 2 5 5 ILE HD13 H 1 0.580 . . 1 . . . . 4 ILE HD11 . 15685 2 44 . 2 2 5 5 ILE HG12 H 1 1.310 . . 1 . . . . 4 ILE HG11 . 15685 2 45 . 2 2 5 5 ILE HG13 H 1 0.965 . . 1 . . . . 4 ILE HG12 . 15685 2 46 . 2 2 5 5 ILE HG21 H 1 0.758 . . 2 . . . . 4 ILE HG21 . 15685 2 47 . 2 2 5 5 ILE HG22 H 1 0.758 . . 2 . . . . 4 ILE HG21 . 15685 2 48 . 2 2 5 5 ILE HG23 H 1 0.758 . . 2 . . . . 4 ILE HG21 . 15685 2 49 . 2 2 5 5 ILE C C 13 1.000 . . 1 . . . . 4 ILE C . 15685 2 50 . 2 2 5 5 ILE CA C 13 60.908 . . 1 . . . . 4 ILE CA . 15685 2 51 . 2 2 5 5 ILE CB C 13 38.035 . . 1 . . . . 4 ILE CB . 15685 2 52 . 2 2 5 5 ILE CD1 C 13 13.612 . . 1 . . . . 4 ILE CD1 . 15685 2 53 . 2 2 5 5 ILE CG1 C 13 27.272 . . 2 . . . . 4 ILE CG1 . 15685 2 54 . 2 2 5 5 ILE CG2 C 13 17.977 . . 1 . . . . 4 ILE CG2 . 15685 2 55 . 2 2 5 5 ILE N N 15 124.603 . . 1 . . . . 4 ILE N . 15685 2 56 . 2 2 6 6 HIS H H 1 1.000 . . 1 . . . . 5 HIS HN . 15685 2 57 . 2 2 6 6 HIS HA H 1 4.860 . . 1 . . . . 5 HIS HA . 15685 2 58 . 2 2 6 6 HIS HB2 H 1 3.235 . . 2 . . . . 5 HIS HB1 . 15685 2 59 . 2 2 6 6 HIS HB3 H 1 3.105 . . 2 . . . . 5 HIS HB2 . 15685 2 60 . 2 2 6 6 HIS C C 13 1.000 . . 1 . . . . 5 HIS C . 15685 2 61 . 2 2 6 6 HIS CA C 13 55.730 . . 1 . . . . 5 HIS CA . 15685 2 62 . 2 2 6 6 HIS CB C 13 30.550 . . 1 . . . . 5 HIS CB . 15685 2 63 . 2 2 6 6 HIS N N 15 1.000 . . 1 . . . . 5 HIS N . 15685 2 64 . 2 2 7 7 GLY H H 1 8.082 . . 1 . . . . 6 GLY HN . 15685 2 65 . 2 2 7 7 GLY HA2 H 1 4.050 . . 2 . . . . 6 GLY HA1 . 15685 2 66 . 2 2 7 7 GLY HA3 H 1 4.205 . . 2 . . . . 6 GLY HA2 . 15685 2 67 . 2 2 7 7 GLY C C 13 1.000 . . 1 . . . . 6 GLY C . 15685 2 68 . 2 2 7 7 GLY CA C 13 45.100 . . 1 . . . . 6 GLY CA . 15685 2 69 . 2 2 7 7 GLY N N 15 111.385 . . 1 . . . . 6 GLY N . 15685 2 70 . 2 2 8 8 ASP H H 1 8.145 . . 1 . . . . 7 ASP HN . 15685 2 71 . 2 2 8 8 ASP HA H 1 4.870 . . 1 . . . . 7 ASP HA . 15685 2 72 . 2 2 8 8 ASP HB2 H 1 2.771 . . 2 . . . . 7 ASP HB1 . 15685 2 73 . 2 2 8 8 ASP HB3 H 1 2.686 . . 2 . . . . 7 ASP HB2 . 15685 2 74 . 2 2 8 8 ASP C C 13 176.452 . . 1 . . . . 7 ASP C . 15685 2 75 . 2 2 8 8 ASP CA C 13 54.925 . . 1 . . . . 7 ASP CA . 15685 2 76 . 2 2 8 8 ASP CB C 13 42.985 . . 1 . . . . 7 ASP CB . 15685 2 77 . 2 2 8 8 ASP N N 15 115.884 . . 1 . . . . 7 ASP N . 15685 2 78 . 2 2 9 9 SER H H 1 7.855 . . 1 . . . . 8 SER HN . 15685 2 79 . 2 2 9 9 SER HA H 1 5.354 . . 1 . . . . 8 SER HA . 15685 2 80 . 2 2 9 9 SER HB2 H 1 4.076 . . 2 . . . . 8 SER HB1 . 15685 2 81 . 2 2 9 9 SER HB3 H 1 4.045 . . 2 . . . . 8 SER HB2 . 15685 2 82 . 2 2 9 9 SER C C 13 173.005 . . 1 . . . . 8 SER C . 15685 2 83 . 2 2 9 9 SER CA C 13 56.649 . . 1 . . . . 8 SER CA . 15685 2 84 . 2 2 9 9 SER CB C 13 66.344 . . 1 . . . . 8 SER CB . 15685 2 85 . 2 2 9 9 SER N N 15 113.491 . . 1 . . . . 8 SER N . 15685 2 86 . 2 2 10 10 THR H H 1 8.633 . . 1 . . . . 9 THR HN . 15685 2 87 . 2 2 10 10 THR HA H 1 4.710 . . 1 . . . . 9 THR HA . 15685 2 88 . 2 2 10 10 THR HB H 1 4.195 . . 1 . . . . 9 THR HB . 15685 2 89 . 2 2 10 10 THR HG21 H 1 0.904 . . 1 . . . . 9 THR HG21 . 15685 2 90 . 2 2 10 10 THR HG22 H 1 0.904 . . 1 . . . . 9 THR HG21 . 15685 2 91 . 2 2 10 10 THR HG23 H 1 0.904 . . 1 . . . . 9 THR HG21 . 15685 2 92 . 2 2 10 10 THR C C 13 171.498 . . 1 . . . . 9 THR C . 15685 2 93 . 2 2 10 10 THR CA C 13 61.639 . . 1 . . . . 9 THR CA . 15685 2 94 . 2 2 10 10 THR CB C 13 68.877 . . 1 . . . . 9 THR CB . 15685 2 95 . 2 2 10 10 THR CG2 C 13 18.973 . . 1 . . . . 9 THR CG2 . 15685 2 96 . 2 2 10 10 THR N N 15 113.950 . . 1 . . . . 9 THR N . 15685 2 97 . 2 2 11 11 LYS H H 1 8.163 . . 1 . . . . 10 LYS HN . 15685 2 98 . 2 2 11 11 LYS HA H 1 5.860 . . 1 . . . . 10 LYS HA . 15685 2 99 . 2 2 11 11 LYS HB2 H 1 1.785 . . 2 . . . . 10 LYS HB1 . 15685 2 100 . 2 2 11 11 LYS HB3 H 1 1.720 . . 2 . . . . 10 LYS HB2 . 15685 2 101 . 2 2 11 11 LYS HD2 H 1 1.615 . . 2 . . . . 10 LYS HD1 . 15685 2 102 . 2 2 11 11 LYS HD3 H 1 1.593 . . 2 . . . . 10 LYS HD2 . 15685 2 103 . 2 2 11 11 LYS HE2 H 1 2.930 . . 2 . . . . 10 LYS HE1 . 15685 2 104 . 2 2 11 11 LYS HE3 H 1 2.930 . . 2 . . . . 10 LYS HE2 . 15685 2 105 . 2 2 11 11 LYS HG2 H 1 1.445 . . 2 . . . . 10 LYS HG1 . 15685 2 106 . 2 2 11 11 LYS HG3 H 1 1.435 . . 2 . . . . 10 LYS HG2 . 15685 2 107 . 2 2 11 11 LYS C C 13 175.064 . . 1 . . . . 10 LYS C . 15685 2 108 . 2 2 11 11 LYS CA C 13 54.870 . . 1 . . . . 10 LYS CA . 15685 2 109 . 2 2 11 11 LYS CB C 13 36.631 . . 1 . . . . 10 LYS CB . 15685 2 110 . 2 2 11 11 LYS CD C 13 29.521 . . 1 . . . . 10 LYS CD . 15685 2 111 . 2 2 11 11 LYS CE C 13 42.319 . . 1 . . . . 10 LYS CE . 15685 2 112 . 2 2 11 11 LYS CG C 13 24.637 . . 1 . . . . 10 LYS CG . 15685 2 113 . 2 2 11 11 LYS N N 15 122.631 . . 1 . . . . 10 LYS N . 15685 2 114 . 2 2 12 12 ALA H H 1 9.206 . . 1 . . . . 11 ALA HN . 15685 2 115 . 2 2 12 12 ALA HA H 1 4.772 . . 1 . . . . 11 ALA HA . 15685 2 116 . 2 2 12 12 ALA HB1 H 1 1.432 . . 1 . . . . 11 ALA HB1 . 15685 2 117 . 2 2 12 12 ALA HB2 H 1 1.432 . . 1 . . . . 11 ALA HB1 . 15685 2 118 . 2 2 12 12 ALA HB3 H 1 1.432 . . 1 . . . . 11 ALA HB1 . 15685 2 119 . 2 2 12 12 ALA C C 13 175.407 . . 1 . . . . 11 ALA C . 15685 2 120 . 2 2 12 12 ALA CA C 13 51.491 . . 1 . . . . 11 ALA CA . 15685 2 121 . 2 2 12 12 ALA CB C 13 23.883 . . 1 . . . . 11 ALA CB . 15685 2 122 . 2 2 12 12 ALA N N 15 124.040 . . 1 . . . . 11 ALA N . 15685 2 123 . 2 2 13 13 THR H H 1 8.468 . . 1 . . . . 12 THR HN . 15685 2 124 . 2 2 13 13 THR HA H 1 4.715 . . 1 . . . . 12 THR HA . 15685 2 125 . 2 2 13 13 THR HB H 1 3.922 . . 1 . . . . 12 THR HB . 15685 2 126 . 2 2 13 13 THR HG21 H 1 1.075 . . 1 . . . . 12 THR HG21 . 15685 2 127 . 2 2 13 13 THR HG22 H 1 1.075 . . 1 . . . . 12 THR HG21 . 15685 2 128 . 2 2 13 13 THR HG23 H 1 1.075 . . 1 . . . . 12 THR HG21 . 15685 2 129 . 2 2 13 13 THR C C 13 172.677 . . 1 . . . . 12 THR C . 15685 2 130 . 2 2 13 13 THR CA C 13 63.579 . . 1 . . . . 12 THR CA . 15685 2 131 . 2 2 13 13 THR CB C 13 69.847 . . 1 . . . . 12 THR CB . 15685 2 132 . 2 2 13 13 THR CG2 C 13 22.297 . . 1 . . . . 12 THR CG2 . 15685 2 133 . 2 2 13 13 THR N N 15 118.246 . . 1 . . . . 12 THR N . 15685 2 134 . 2 2 14 14 LEU H H 1 9.273 . . 1 . . . . 13 LEU HN . 15685 2 135 . 2 2 14 14 LEU HA H 1 4.608 . . 1 . . . . 13 LEU HA . 15685 2 136 . 2 2 14 14 LEU HB2 H 1 1.750 . . 2 . . . . 13 LEU HB1 . 15685 2 137 . 2 2 14 14 LEU HB3 H 1 1.137 . . 2 . . . . 13 LEU HB2 . 15685 2 138 . 2 2 14 14 LEU HD11 H 1 0.648 . . 2 . . . . 13 LEU HD11 . 15685 2 139 . 2 2 14 14 LEU HD12 H 1 0.648 . . 2 . . . . 13 LEU HD11 . 15685 2 140 . 2 2 14 14 LEU HD13 H 1 0.648 . . 2 . . . . 13 LEU HD11 . 15685 2 141 . 2 2 14 14 LEU HD21 H 1 0.930 . . 2 . . . . 13 LEU HD21 . 15685 2 142 . 2 2 14 14 LEU HD22 H 1 0.930 . . 2 . . . . 13 LEU HD21 . 15685 2 143 . 2 2 14 14 LEU HD23 H 1 0.930 . . 2 . . . . 13 LEU HD21 . 15685 2 144 . 2 2 14 14 LEU HG H 1 1.430 . . 1 . . . . 13 LEU HG . 15685 2 145 . 2 2 14 14 LEU C C 13 173.154 . . 1 . . . . 13 LEU C . 15685 2 146 . 2 2 14 14 LEU CA C 13 53.431 . . 1 . . . . 13 LEU CA . 15685 2 147 . 2 2 14 14 LEU CB C 13 45.970 . . 1 . . . . 13 LEU CB . 15685 2 148 . 2 2 14 14 LEU CD1 C 13 27.000 . . 1 . . . . 13 LEU CD1 . 15685 2 149 . 2 2 14 14 LEU CD2 C 13 23.147 . . 1 . . . . 13 LEU CD2 . 15685 2 150 . 2 2 14 14 LEU CG C 13 26.600 . . 1 . . . . 13 LEU CG . 15685 2 151 . 2 2 14 14 LEU N N 15 130.287 . . 1 . . . . 13 LEU N . 15685 2 152 . 2 2 15 15 GLU H H 1 7.958 . . 1 . . . . 14 GLU HN . 15685 2 153 . 2 2 15 15 GLU HA H 1 5.100 . . 1 . . . . 14 GLU HA . 15685 2 154 . 2 2 15 15 GLU HB2 H 1 2.095 . . 2 . . . . 14 GLU HB1 . 15685 2 155 . 2 2 15 15 GLU HB3 H 1 1.655 . . 2 . . . . 14 GLU HB2 . 15685 2 156 . 2 2 15 15 GLU HG2 H 1 2.180 . . 2 . . . . 14 GLU HG1 . 15685 2 157 . 2 2 15 15 GLU HG3 H 1 2.180 . . 2 . . . . 14 GLU HG2 . 15685 2 158 . 2 2 15 15 GLU C C 13 175.526 . . 1 . . . . 14 GLU C . 15685 2 159 . 2 2 15 15 GLU CA C 13 53.972 . . 1 . . . . 14 GLU CA . 15685 2 160 . 2 2 15 15 GLU CB C 13 32.330 . . 1 . . . . 14 GLU CB . 15685 2 161 . 2 2 15 15 GLU CG C 13 36.838 . . 1 . . . . 14 GLU CG . 15685 2 162 . 2 2 15 15 GLU N N 15 123.512 . . 1 . . . . 14 GLU N . 15685 2 163 . 2 2 16 16 GLU H H 1 8.040 . . 1 . . . . 15 GLU HN . 15685 2 164 . 2 2 16 16 GLU HA H 1 3.827 . . 1 . . . . 15 GLU HA . 15685 2 165 . 2 2 16 16 GLU HB2 H 1 1.940 . . 2 . . . . 15 GLU HB1 . 15685 2 166 . 2 2 16 16 GLU HB3 H 1 1.890 . . 2 . . . . 15 GLU HB2 . 15685 2 167 . 2 2 16 16 GLU HG2 H 1 2.130 . . 2 . . . . 15 GLU HG1 . 15685 2 168 . 2 2 16 16 GLU HG3 H 1 2.130 . . 2 . . . . 15 GLU HG2 . 15685 2 169 . 2 2 16 16 GLU C C 13 1.000 . . 1 . . . . 15 GLU C . 15685 2 170 . 2 2 16 16 GLU CA C 13 57.350 . . 1 . . . . 15 GLU CA . 15685 2 171 . 2 2 16 16 GLU CB C 13 30.220 . . 1 . . . . 15 GLU CB . 15685 2 172 . 2 2 16 16 GLU CG C 13 35.538 . . 1 . . . . 15 GLU CG . 15685 2 173 . 2 2 16 16 GLU N N 15 119.259 . . 1 . . . . 15 GLU N . 15685 2 174 . 2 2 17 17 GLY H H 1 9.604 . . 1 . . . . 16 GLY HN . 15685 2 175 . 2 2 17 17 GLY HA2 H 1 4.435 . . 2 . . . . 16 GLY HA1 . 15685 2 176 . 2 2 17 17 GLY HA3 H 1 3.615 . . 2 . . . . 16 GLY HA2 . 15685 2 177 . 2 2 17 17 GLY C C 13 174.557 . . 1 . . . . 16 GLY C . 15685 2 178 . 2 2 17 17 GLY CA C 13 45.597 . . 1 . . . . 16 GLY CA . 15685 2 179 . 2 2 17 17 GLY N N 15 112.704 . . 1 . . . . 16 GLY N . 15685 2 180 . 2 2 18 18 GLN H H 1 8.407 . . 1 . . . . 17 GLN HN . 15685 2 181 . 2 2 18 18 GLN HA H 1 5.107 . . 1 . . . . 17 GLN HA . 15685 2 182 . 2 2 18 18 GLN HB2 H 1 2.595 . . 2 . . . . 17 GLN HB1 . 15685 2 183 . 2 2 18 18 GLN HB3 H 1 2.070 . . 2 . . . . 17 GLN HB2 . 15685 2 184 . 2 2 18 18 GLN HG2 H 1 2.217 . . 2 . . . . 17 GLN HG1 . 15685 2 185 . 2 2 18 18 GLN HG3 H 1 2.145 . . 2 . . . . 17 GLN HG2 . 15685 2 186 . 2 2 18 18 GLN C C 13 173.109 . . 1 . . . . 17 GLN C . 15685 2 187 . 2 2 18 18 GLN CA C 13 54.700 . . 1 . . . . 17 GLN CA . 15685 2 188 . 2 2 18 18 GLN CB C 13 32.464 . . 1 . . . . 17 GLN CB . 15685 2 189 . 2 2 18 18 GLN CG C 13 34.149 . . 1 . . . . 17 GLN CG . 15685 2 190 . 2 2 18 18 GLN N N 15 122.125 . . 1 . . . . 17 GLN N . 15685 2 191 . 2 2 19 19 GLN H H 1 8.871 . . 1 . . . . 18 GLN HN . 15685 2 192 . 2 2 19 19 GLN HA H 1 5.586 . . 1 . . . . 18 GLN HA . 15685 2 193 . 2 2 19 19 GLN HB2 H 1 2.020 . . 2 . . . . 18 GLN HB1 . 15685 2 194 . 2 2 19 19 GLN HB3 H 1 1.505 . . 2 . . . . 18 GLN HB2 . 15685 2 195 . 2 2 19 19 GLN HG2 H 1 1.975 . . 2 . . . . 18 GLN HG1 . 15685 2 196 . 2 2 19 19 GLN C C 13 173.348 . . 1 . . . . 18 GLN C . 15685 2 197 . 2 2 19 19 GLN CA C 13 53.282 . . 1 . . . . 18 GLN CA . 15685 2 198 . 2 2 19 19 GLN CB C 13 32.400 . . 1 . . . . 18 GLN CB . 15685 2 199 . 2 2 19 19 GLN CG C 13 32.800 . . 1 . . . . 18 GLN CG . 15685 2 200 . 2 2 19 19 GLN N N 15 113.088 . . 1 . . . . 18 GLN N . 15685 2 201 . 2 2 20 20 LEU H H 1 9.169 . . 1 . . . . 19 LEU HN . 15685 2 202 . 2 2 20 20 LEU HA H 1 5.390 . . 1 . . . . 19 LEU HA . 15685 2 203 . 2 2 20 20 LEU HB2 H 1 1.860 . . 2 . . . . 19 LEU HB1 . 15685 2 204 . 2 2 20 20 LEU HB3 H 1 1.590 . . 2 . . . . 19 LEU HB2 . 15685 2 205 . 2 2 20 20 LEU HD11 H 1 1.010 . . 2 . . . . 19 LEU HD11 . 15685 2 206 . 2 2 20 20 LEU HD12 H 1 1.010 . . 2 . . . . 19 LEU HD11 . 15685 2 207 . 2 2 20 20 LEU HD13 H 1 1.010 . . 2 . . . . 19 LEU HD11 . 15685 2 208 . 2 2 20 20 LEU HD21 H 1 0.995 . . 2 . . . . 19 LEU HD21 . 15685 2 209 . 2 2 20 20 LEU HD22 H 1 0.995 . . 2 . . . . 19 LEU HD21 . 15685 2 210 . 2 2 20 20 LEU HD23 H 1 0.995 . . 2 . . . . 19 LEU HD21 . 15685 2 211 . 2 2 20 20 LEU HG H 1 1.970 . . 1 . . . . 19 LEU HG . 15685 2 212 . 2 2 20 20 LEU C C 13 176.183 . . 1 . . . . 19 LEU C . 15685 2 213 . 2 2 20 20 LEU CA C 13 52.984 . . 1 . . . . 19 LEU CA . 15685 2 214 . 2 2 20 20 LEU CB C 13 45.522 . . 1 . . . . 19 LEU CB . 15685 2 215 . 2 2 20 20 LEU CD1 C 13 26.626 . . 1 . . . . 19 LEU CD1 . 15685 2 216 . 2 2 20 20 LEU CD2 C 13 25.506 . . 1 . . . . 19 LEU CD2 . 15685 2 217 . 2 2 20 20 LEU CG C 13 26.916 . . 1 . . . . 19 LEU CG . 15685 2 218 . 2 2 20 20 LEU N N 15 121.283 . . 1 . . . . 19 LEU N . 15685 2 219 . 2 2 21 21 THR H H 1 9.169 . . 1 . . . . 20 THR HN . 15685 2 220 . 2 2 21 21 THR HA H 1 5.235 . . 1 . . . . 20 THR HA . 15685 2 221 . 2 2 21 21 THR HB H 1 3.768 . . 1 . . . . 20 THR HB . 15685 2 222 . 2 2 21 21 THR HG21 H 1 1.041 . . 1 . . . . 20 THR HG21 . 15685 2 223 . 2 2 21 21 THR HG22 H 1 1.041 . . 1 . . . . 20 THR HG21 . 15685 2 224 . 2 2 21 21 THR HG23 H 1 1.041 . . 1 . . . . 20 THR HG21 . 15685 2 225 . 2 2 21 21 THR C C 13 173.542 . . 1 . . . . 20 THR C . 15685 2 226 . 2 2 21 21 THR CA C 13 62.271 . . 1 . . . . 20 THR CA . 15685 2 227 . 2 2 21 21 THR CB C 13 70.872 . . 1 . . . . 20 THR CB . 15685 2 228 . 2 2 21 21 THR CG2 C 13 22.250 . . 1 . . . . 20 THR CG2 . 15685 2 229 . 2 2 21 21 THR N N 15 118.464 . . 1 . . . . 20 THR N . 15685 2 230 . 2 2 22 22 LEU H H 1 9.972 . . 1 . . . . 21 LEU HN . 15685 2 231 . 2 2 22 22 LEU HA H 1 5.448 . . 1 . . . . 21 LEU HA . 15685 2 232 . 2 2 22 22 LEU HB2 H 1 1.958 . . 2 . . . . 21 LEU HB1 . 15685 2 233 . 2 2 22 22 LEU HB3 H 1 0.875 . . 2 . . . . 21 LEU HB2 . 15685 2 234 . 2 2 22 22 LEU HD11 H 1 0.183 . . 2 . . . . 21 LEU HD11 . 15685 2 235 . 2 2 22 22 LEU HD12 H 1 0.183 . . 2 . . . . 21 LEU HD11 . 15685 2 236 . 2 2 22 22 LEU HD13 H 1 0.183 . . 2 . . . . 21 LEU HD11 . 15685 2 237 . 2 2 22 22 LEU HD21 H 1 0.395 . . 2 . . . . 21 LEU HD21 . 15685 2 238 . 2 2 22 22 LEU HD22 H 1 0.395 . . 2 . . . . 21 LEU HD21 . 15685 2 239 . 2 2 22 22 LEU HD23 H 1 0.395 . . 2 . . . . 21 LEU HD21 . 15685 2 240 . 2 2 22 22 LEU HG H 1 1.365 . . 1 . . . . 21 LEU HG . 15685 2 241 . 2 2 22 22 LEU C C 13 175.198 . . 1 . . . . 21 LEU C . 15685 2 242 . 2 2 22 22 LEU CA C 13 53.208 . . 1 . . . . 21 LEU CA . 15685 2 243 . 2 2 22 22 LEU CB C 13 45.373 . . 1 . . . . 21 LEU CB . 15685 2 244 . 2 2 22 22 LEU CD1 C 13 27.575 . . 1 . . . . 21 LEU CD1 . 15685 2 245 . 2 2 22 22 LEU CD2 C 13 23.353 . . 1 . . . . 21 LEU CD2 . 15685 2 246 . 2 2 22 22 LEU CG C 13 27.441 . . 1 . . . . 21 LEU CG . 15685 2 247 . 2 2 22 22 LEU N N 15 134.374 . . 1 . . . . 21 LEU N . 15685 2 248 . 2 2 23 23 THR H H 1 8.932 . . 1 . . . . 22 THR HN . 15685 2 249 . 2 2 23 23 THR HA H 1 5.215 . . 1 . . . . 22 THR HA . 15685 2 250 . 2 2 23 23 THR HB H 1 4.215 . . 1 . . . . 22 THR HB . 15685 2 251 . 2 2 23 23 THR HG21 H 1 1.190 . . 1 . . . . 22 THR HG21 . 15685 2 252 . 2 2 23 23 THR HG22 H 1 1.190 . . 1 . . . . 22 THR HG21 . 15685 2 253 . 2 2 23 23 THR HG23 H 1 1.190 . . 1 . . . . 22 THR HG21 . 15685 2 254 . 2 2 23 23 THR C C 13 174.198 . . 1 . . . . 22 THR C . 15685 2 255 . 2 2 23 23 THR CA C 13 62.460 . . 1 . . . . 22 THR CA . 15685 2 256 . 2 2 23 23 THR CB C 13 68.803 . . 1 . . . . 22 THR CB . 15685 2 257 . 2 2 23 23 THR CG2 C 13 21.150 . . 1 . . . . 22 THR CG2 . 15685 2 258 . 2 2 23 23 THR N N 15 125.719 . . 1 . . . . 22 THR N . 15685 2 259 . 2 2 24 24 PHE H H 1 8.830 . . 1 . . . . 23 PHE HN . 15685 2 260 . 2 2 24 24 PHE HA H 1 5.281 . . 1 . . . . 23 PHE HA . 15685 2 261 . 2 2 24 24 PHE HB2 H 1 3.335 . . 2 . . . . 23 PHE HB1 . 15685 2 262 . 2 2 24 24 PHE HB3 H 1 2.790 . . 2 . . . . 23 PHE HB2 . 15685 2 263 . 2 2 24 24 PHE HD1 H 1 7.025 . . 3 . . . . 23 PHE HD1 . 15685 2 264 . 2 2 24 24 PHE HD2 H 1 7.025 . . 3 . . . . 23 PHE HD2 . 15685 2 265 . 2 2 24 24 PHE HE1 H 1 7.063 . . 3 . . . . 23 PHE HE1 . 15685 2 266 . 2 2 24 24 PHE HE2 H 1 7.063 . . 3 . . . . 23 PHE HE2 . 15685 2 267 . 2 2 24 24 PHE C C 13 172.229 . . 1 . . . . 23 PHE C . 15685 2 268 . 2 2 24 24 PHE CA C 13 56.192 . . 1 . . . . 23 PHE CA . 15685 2 269 . 2 2 24 24 PHE CB C 13 41.791 . . 1 . . . . 23 PHE CB . 15685 2 270 . 2 2 24 24 PHE CD1 C 13 132.240 . . 3 . . . . 23 PHE CD1 . 15685 2 271 . 2 2 24 24 PHE CD2 C 13 132.240 . . 3 . . . . 23 PHE CD2 . 15685 2 272 . 2 2 24 24 PHE CE1 C 13 130.050 . . 3 . . . . 23 PHE CE1 . 15685 2 273 . 2 2 24 24 PHE CE2 C 13 130.050 . . 3 . . . . 23 PHE CE2 . 15685 2 274 . 2 2 24 24 PHE N N 15 122.766 . . 1 . . . . 23 PHE N . 15685 2 275 . 2 2 25 25 ILE H H 1 9.040 . . 1 . . . . 24 ILE HN . 15685 2 276 . 2 2 25 25 ILE HA H 1 4.067 . . 1 . . . . 24 ILE HA . 15685 2 277 . 2 2 25 25 ILE HB H 1 1.670 . . 1 . . . . 24 ILE HB . 15685 2 278 . 2 2 25 25 ILE HD11 H 1 0.810 . . 1 . . . . 24 ILE HD11 . 15685 2 279 . 2 2 25 25 ILE HD12 H 1 0.810 . . 1 . . . . 24 ILE HD11 . 15685 2 280 . 2 2 25 25 ILE HD13 H 1 0.810 . . 1 . . . . 24 ILE HD11 . 15685 2 281 . 2 2 25 25 ILE HG12 H 1 1.450 . . 1 . . . . 24 ILE HG11 . 15685 2 282 . 2 2 25 25 ILE HG13 H 1 0.615 . . 1 . . . . 24 ILE HG12 . 15685 2 283 . 2 2 25 25 ILE HG21 H 1 0.705 . . 2 . . . . 24 ILE HG21 . 15685 2 284 . 2 2 25 25 ILE HG22 H 1 0.705 . . 2 . . . . 24 ILE HG21 . 15685 2 285 . 2 2 25 25 ILE HG23 H 1 0.705 . . 2 . . . . 24 ILE HG21 . 15685 2 286 . 2 2 25 25 ILE C C 13 175.303 . . 1 . . . . 24 ILE C . 15685 2 287 . 2 2 25 25 ILE CA C 13 61.266 . . 1 . . . . 24 ILE CA . 15685 2 288 . 2 2 25 25 ILE CB C 13 40.224 . . 1 . . . . 24 ILE CB . 15685 2 289 . 2 2 25 25 ILE CD1 C 13 14.134 . . 1 . . . . 24 ILE CD1 . 15685 2 290 . 2 2 25 25 ILE CG1 C 13 27.839 . . 2 . . . . 24 ILE CG1 . 15685 2 291 . 2 2 25 25 ILE CG2 C 13 17.333 . . 1 . . . . 24 ILE CG2 . 15685 2 292 . 2 2 25 25 ILE N N 15 119.505 . . 1 . . . . 24 ILE N . 15685 2 293 . 2 2 26 26 SER H H 1 8.008 . . 1 . . . . 25 SER HN . 15685 2 294 . 2 2 26 26 SER HA H 1 4.715 . . 1 . . . . 25 SER HA . 15685 2 295 . 2 2 26 26 SER HB2 H 1 4.145 . . 2 . . . . 25 SER HB1 . 15685 2 296 . 2 2 26 26 SER HB3 H 1 3.562 . . 2 . . . . 25 SER HB2 . 15685 2 297 . 2 2 26 26 SER C C 13 173.631 . . 1 . . . . 25 SER C . 15685 2 298 . 2 2 26 26 SER CA C 13 56.742 . . 1 . . . . 25 SER CA . 15685 2 299 . 2 2 26 26 SER CB C 13 65.047 . . 1 . . . . 25 SER CB . 15685 2 300 . 2 2 26 26 SER N N 15 118.978 . . 1 . . . . 25 SER N . 15685 2 301 . 2 2 27 27 THR H H 1 8.097 . . 1 . . . . 26 THR HN . 15685 2 302 . 2 2 27 27 THR HA H 1 4.385 . . 1 . . . . 26 THR HA . 15685 2 303 . 2 2 27 27 THR HB H 1 4.322 . . 1 . . . . 26 THR HB . 15685 2 304 . 2 2 27 27 THR HG21 H 1 1.270 . . 1 . . . . 26 THR HG21 . 15685 2 305 . 2 2 27 27 THR HG22 H 1 1.270 . . 1 . . . . 26 THR HG21 . 15685 2 306 . 2 2 27 27 THR HG23 H 1 1.270 . . 1 . . . . 26 THR HG21 . 15685 2 307 . 2 2 27 27 THR C C 13 175.109 . . 1 . . . . 26 THR C . 15685 2 308 . 2 2 27 27 THR CA C 13 63.377 . . 1 . . . . 26 THR CA . 15685 2 309 . 2 2 27 27 THR CB C 13 69.420 . . 1 . . . . 26 THR CB . 15685 2 310 . 2 2 27 27 THR CG2 C 13 22.168 . . 1 . . . . 26 THR CG2 . 15685 2 311 . 2 2 27 27 THR N N 15 111.632 . . 1 . . . . 26 THR N . 15685 2 312 . 2 2 28 28 LYS H H 1 8.006 . . 1 . . . . 27 LYS HN . 15685 2 313 . 2 2 28 28 LYS HA H 1 5.000 . . 1 . . . . 27 LYS HA . 15685 2 314 . 2 2 28 28 LYS HB2 H 1 1.843 . . 2 . . . . 27 LYS HB1 . 15685 2 315 . 2 2 28 28 LYS HB3 H 1 1.673 . . 2 . . . . 27 LYS HB2 . 15685 2 316 . 2 2 28 28 LYS HD2 H 1 1.645 . . 2 . . . . 27 LYS HD1 . 15685 2 317 . 2 2 28 28 LYS HD3 H 1 1.570 . . 2 . . . . 27 LYS HD2 . 15685 2 318 . 2 2 28 28 LYS HE2 H 1 2.955 . . 2 . . . . 27 LYS HE1 . 15685 2 319 . 2 2 28 28 LYS HE3 H 1 2.880 . . 2 . . . . 27 LYS HE2 . 15685 2 320 . 2 2 28 28 LYS HG2 H 1 1.203 . . 2 . . . . 27 LYS HG1 . 15685 2 321 . 2 2 28 28 LYS HG3 H 1 1.135 . . 2 . . . . 27 LYS HG2 . 15685 2 322 . 2 2 28 28 LYS C C 13 172.975 . . 1 . . . . 27 LYS C . 15685 2 323 . 2 2 28 28 LYS CA C 13 57.553 . . 1 . . . . 27 LYS CA . 15685 2 324 . 2 2 28 28 LYS CB C 13 34.181 . . 1 . . . . 27 LYS CB . 15685 2 325 . 2 2 28 28 LYS CD C 13 29.400 . . 1 . . . . 27 LYS CD . 15685 2 326 . 2 2 28 28 LYS CE C 13 41.925 . . 1 . . . . 27 LYS CE . 15685 2 327 . 2 2 28 28 LYS CG C 13 25.119 . . 1 . . . . 27 LYS CG . 15685 2 328 . 2 2 28 28 LYS N N 15 122.098 . . 1 . . . . 27 LYS N . 15685 2 329 . 2 2 29 29 LEU H H 1 8.584 . . 1 . . . . 28 LEU HN . 15685 2 330 . 2 2 29 29 LEU HA H 1 5.035 . . 1 . . . . 28 LEU HA . 15685 2 331 . 2 2 29 29 LEU HB2 H 1 1.516 . . 2 . . . . 28 LEU HB1 . 15685 2 332 . 2 2 29 29 LEU HB3 H 1 1.080 . . 2 . . . . 28 LEU HB2 . 15685 2 333 . 2 2 29 29 LEU HD11 H 1 0.065 . . 2 . . . . 28 LEU HD11 . 15685 2 334 . 2 2 29 29 LEU HD12 H 1 0.065 . . 2 . . . . 28 LEU HD11 . 15685 2 335 . 2 2 29 29 LEU HD13 H 1 0.065 . . 2 . . . . 28 LEU HD11 . 15685 2 336 . 2 2 29 29 LEU HD21 H 1 0.380 . . 2 . . . . 28 LEU HD21 . 15685 2 337 . 2 2 29 29 LEU HD22 H 1 0.380 . . 2 . . . . 28 LEU HD21 . 15685 2 338 . 2 2 29 29 LEU HD23 H 1 0.380 . . 2 . . . . 28 LEU HD21 . 15685 2 339 . 2 2 29 29 LEU HG H 1 1.165 . . 1 . . . . 28 LEU HG . 15685 2 340 . 2 2 29 29 LEU C C 13 173.796 . . 1 . . . . 28 LEU C . 15685 2 341 . 2 2 29 29 LEU CA C 13 53.431 . . 1 . . . . 28 LEU CA . 15685 2 342 . 2 2 29 29 LEU CB C 13 46.194 . . 1 . . . . 28 LEU CB . 15685 2 343 . 2 2 29 29 LEU CD1 C 13 27.019 . . 1 . . . . 28 LEU CD1 . 15685 2 344 . 2 2 29 29 LEU CD2 C 13 24.374 . . 1 . . . . 28 LEU CD2 . 15685 2 345 . 2 2 29 29 LEU CG C 13 27.155 . . 1 . . . . 28 LEU CG . 15685 2 346 . 2 2 29 29 LEU N N 15 130.310 . . 1 . . . . 28 LEU N . 15685 2 347 . 2 2 30 30 ASP H H 1 8.877 . . 1 . . . . 29 ASP HN . 15685 2 348 . 2 2 30 30 ASP HA H 1 5.302 . . 1 . . . . 29 ASP HA . 15685 2 349 . 2 2 30 30 ASP HB2 H 1 2.593 . . 2 . . . . 29 ASP HB1 . 15685 2 350 . 2 2 30 30 ASP HB3 H 1 2.503 . . 2 . . . . 29 ASP HB2 . 15685 2 351 . 2 2 30 30 ASP C C 13 175.228 . . 1 . . . . 29 ASP C . 15685 2 352 . 2 2 30 30 ASP CA C 13 53.655 . . 1 . . . . 29 ASP CA . 15685 2 353 . 2 2 30 30 ASP CB C 13 44.030 . . 1 . . . . 29 ASP CB . 15685 2 354 . 2 2 30 30 ASP N N 15 126.822 . . 1 . . . . 29 ASP N . 15685 2 355 . 2 2 31 31 VAL H H 1 8.961 . . 1 . . . . 30 VAL HN . 15685 2 356 . 2 2 31 31 VAL HA H 1 4.890 . . 1 . . . . 30 VAL HA . 15685 2 357 . 2 2 31 31 VAL HB H 1 1.910 . . 1 . . . . 30 VAL HB . 15685 2 358 . 2 2 31 31 VAL HG11 H 1 0.785 . . 2 . . . . 30 VAL HG11 . 15685 2 359 . 2 2 31 31 VAL HG12 H 1 0.785 . . 2 . . . . 30 VAL HG11 . 15685 2 360 . 2 2 31 31 VAL HG13 H 1 0.785 . . 2 . . . . 30 VAL HG11 . 15685 2 361 . 2 2 31 31 VAL HG21 H 1 0.355 . . 2 . . . . 30 VAL HG21 . 15685 2 362 . 2 2 31 31 VAL HG22 H 1 0.355 . . 2 . . . . 30 VAL HG21 . 15685 2 363 . 2 2 31 31 VAL HG23 H 1 0.355 . . 2 . . . . 30 VAL HG21 . 15685 2 364 . 2 2 31 31 VAL C C 13 174.064 . . 1 . . . . 30 VAL C . 15685 2 365 . 2 2 31 31 VAL CA C 13 60.669 . . 1 . . . . 30 VAL CA . 15685 2 366 . 2 2 31 31 VAL CB C 13 35.299 . . 1 . . . . 30 VAL CB . 15685 2 367 . 2 2 31 31 VAL CG1 C 13 21.951 . . 1 . . . . 30 VAL CG1 . 15685 2 368 . 2 2 31 31 VAL CG2 C 13 21.252 . . 1 . . . . 30 VAL CG2 . 15685 2 369 . 2 2 31 31 VAL N N 15 122.954 . . 1 . . . . 30 VAL N . 15685 2 370 . 2 2 32 32 ALA H H 1 8.503 . . 1 . . . . 31 ALA HN . 15685 2 371 . 2 2 32 32 ALA HA H 1 4.952 . . 1 . . . . 31 ALA HA . 15685 2 372 . 2 2 32 32 ALA HB1 H 1 1.450 . . 1 . . . . 31 ALA HB1 . 15685 2 373 . 2 2 32 32 ALA HB2 H 1 1.450 . . 1 . . . . 31 ALA HB1 . 15685 2 374 . 2 2 32 32 ALA HB3 H 1 1.450 . . 1 . . . . 31 ALA HB1 . 15685 2 375 . 2 2 32 32 ALA C C 13 175.616 . . 1 . . . . 31 ALA C . 15685 2 376 . 2 2 32 32 ALA CA C 13 50.969 . . 1 . . . . 31 ALA CA . 15685 2 377 . 2 2 32 32 ALA CB C 13 21.271 . . 1 . . . . 31 ALA CB . 15685 2 378 . 2 2 32 32 ALA N N 15 129.764 . . 1 . . . . 31 ALA N . 15685 2 379 . 2 2 33 33 VAL H H 1 8.930 . . 1 . . . . 32 VAL HN . 15685 2 380 . 2 2 33 33 VAL HA H 1 4.097 . . 1 . . . . 32 VAL HA . 15685 2 381 . 2 2 33 33 VAL HB H 1 2.460 . . 1 . . . . 32 VAL HB . 15685 2 382 . 2 2 33 33 VAL HG11 H 1 0.797 . . 2 . . . . 32 VAL HG11 . 15685 2 383 . 2 2 33 33 VAL HG12 H 1 0.797 . . 2 . . . . 32 VAL HG11 . 15685 2 384 . 2 2 33 33 VAL HG13 H 1 0.797 . . 2 . . . . 32 VAL HG11 . 15685 2 385 . 2 2 33 33 VAL HG21 H 1 0.795 . . 2 . . . . 32 VAL HG21 . 15685 2 386 . 2 2 33 33 VAL HG22 H 1 0.795 . . 2 . . . . 32 VAL HG21 . 15685 2 387 . 2 2 33 33 VAL HG23 H 1 0.795 . . 2 . . . . 32 VAL HG21 . 15685 2 388 . 2 2 33 33 VAL C C 13 173.438 . . 1 . . . . 32 VAL C . 15685 2 389 . 2 2 33 33 VAL CA C 13 61.192 . . 1 . . . . 32 VAL CA . 15685 2 390 . 2 2 33 33 VAL CB C 13 30.449 . . 1 . . . . 32 VAL CB . 15685 2 391 . 2 2 33 33 VAL CG1 C 13 20.905 . . 1 . . . . 32 VAL CG1 . 15685 2 392 . 2 2 33 33 VAL CG2 C 13 19.200 . . 1 . . . . 32 VAL CG2 . 15685 2 393 . 2 2 33 33 VAL N N 15 124.244 . . 1 . . . . 32 VAL N . 15685 2 394 . 2 2 34 34 GLY H H 1 8.675 . . 1 . . . . 33 GLY HN . 15685 2 395 . 2 2 34 34 GLY HA2 H 1 4.325 . . 2 . . . . 33 GLY HA1 . 15685 2 396 . 2 2 34 34 GLY HA3 H 1 3.935 . . 2 . . . . 33 GLY HA2 . 15685 2 397 . 2 2 34 34 GLY C C 13 174.527 . . 1 . . . . 33 GLY C . 15685 2 398 . 2 2 34 34 GLY CA C 13 48.134 . . 1 . . . . 33 GLY CA . 15685 2 399 . 2 2 34 34 GLY N N 15 114.197 . . 1 . . . . 33 GLY N . 15685 2 400 . 2 2 35 35 SER H H 1 9.600 . . 1 . . . . 34 SER HN . 15685 2 401 . 2 2 35 35 SER HA H 1 4.760 . . 1 . . . . 34 SER HA . 15685 2 402 . 2 2 35 35 SER HB2 H 1 3.955 . . 2 . . . . 34 SER HB1 . 15685 2 403 . 2 2 35 35 SER HB3 H 1 3.900 . . 2 . . . . 34 SER HB2 . 15685 2 404 . 2 2 35 35 SER C C 13 174.691 . . 1 . . . . 34 SER C . 15685 2 405 . 2 2 35 35 SER CA C 13 57.400 . . 1 . . . . 34 SER CA . 15685 2 406 . 2 2 35 35 SER CB C 13 63.729 . . 1 . . . . 34 SER CB . 15685 2 407 . 2 2 35 35 SER N N 15 123.229 . . 1 . . . . 34 SER N . 15685 2 408 . 2 2 36 36 CYS H H 1 8.630 . . 1 . . . . 35 CYS HN . 15685 2 409 . 2 2 36 36 CYS HA H 1 4.975 . . 1 . . . . 35 CYS HA . 15685 2 410 . 2 2 36 36 CYS HB2 H 1 3.780 . . 2 . . . . 35 CYS HB1 . 15685 2 411 . 2 2 36 36 CYS HB3 H 1 3.155 . . 2 . . . . 35 CYS HB2 . 15685 2 412 . 2 2 36 36 CYS C C 13 1.000 . . 1 . . . . 35 CYS C . 15685 2 413 . 2 2 36 36 CYS CA C 13 57.100 . . 1 . . . . 35 CYS CA . 15685 2 414 . 2 2 36 36 CYS CB C 13 50.100 . . 1 . . . . 35 CYS CB . 15685 2 415 . 2 2 36 36 CYS N N 15 118.415 . . 1 . . . . 35 CYS N . 15685 2 416 . 2 2 37 37 HIS H H 1 8.040 . . 1 . . . . 36 HIS HN . 15685 2 417 . 2 2 37 37 HIS HA H 1 5.195 . . 1 . . . . 36 HIS HA . 15685 2 418 . 2 2 37 37 HIS HB2 H 1 3.065 . . 2 . . . . 36 HIS HB1 . 15685 2 419 . 2 2 37 37 HIS HB3 H 1 2.702 . . 2 . . . . 36 HIS HB2 . 15685 2 420 . 2 2 37 37 HIS C C 13 173.139 . . 1 . . . . 36 HIS C . 15685 2 421 . 2 2 37 37 HIS CA C 13 57.461 . . 1 . . . . 36 HIS CA . 15685 2 422 . 2 2 37 37 HIS CB C 13 32.464 . . 1 . . . . 36 HIS CB . 15685 2 423 . 2 2 37 37 HIS N N 15 122.915 . . 1 . . . . 36 HIS N . 15685 2 424 . 2 2 38 38 SER H H 1 8.171 . . 1 . . . . 37 SER HN . 15685 2 425 . 2 2 38 38 SER HA H 1 5.155 . . 1 . . . . 37 SER HA . 15685 2 426 . 2 2 38 38 SER HB2 H 1 3.844 . . 2 . . . . 37 SER HB1 . 15685 2 427 . 2 2 38 38 SER HB3 H 1 3.824 . . 2 . . . . 37 SER HB2 . 15685 2 428 . 2 2 38 38 SER C C 13 170.617 . . 1 . . . . 37 SER C . 15685 2 429 . 2 2 38 38 SER CA C 13 57.610 . . 1 . . . . 37 SER CA . 15685 2 430 . 2 2 38 38 SER CB C 13 65.818 . . 1 . . . . 37 SER CB . 15685 2 431 . 2 2 38 38 SER N N 15 123.527 . . 1 . . . . 37 SER N . 15685 2 432 . 2 2 39 39 LEU H H 1 9.039 . . 1 . . . . 38 LEU HN . 15685 2 433 . 2 2 39 39 LEU HA H 1 5.474 . . 1 . . . . 38 LEU HA . 15685 2 434 . 2 2 39 39 LEU HB2 H 1 2.030 . . 2 . . . . 38 LEU HB1 . 15685 2 435 . 2 2 39 39 LEU HB3 H 1 1.870 . . 2 . . . . 38 LEU HB2 . 15685 2 436 . 2 2 39 39 LEU HD11 H 1 1.005 . . 2 . . . . 38 LEU HD11 . 15685 2 437 . 2 2 39 39 LEU HD12 H 1 1.005 . . 2 . . . . 38 LEU HD11 . 15685 2 438 . 2 2 39 39 LEU HD13 H 1 1.005 . . 2 . . . . 38 LEU HD11 . 15685 2 439 . 2 2 39 39 LEU HD21 H 1 0.995 . . 2 . . . . 38 LEU HD21 . 15685 2 440 . 2 2 39 39 LEU HD22 H 1 0.995 . . 2 . . . . 38 LEU HD21 . 15685 2 441 . 2 2 39 39 LEU HD23 H 1 0.995 . . 2 . . . . 38 LEU HD21 . 15685 2 442 . 2 2 39 39 LEU HG H 1 1.705 . . 1 . . . . 38 LEU HG . 15685 2 443 . 2 2 39 39 LEU C C 13 174.915 . . 1 . . . . 38 LEU C . 15685 2 444 . 2 2 39 39 LEU CA C 13 54.924 . . 1 . . . . 38 LEU CA . 15685 2 445 . 2 2 39 39 LEU CB C 13 45.149 . . 1 . . . . 38 LEU CB . 15685 2 446 . 2 2 39 39 LEU CD1 C 13 26.950 . . 1 . . . . 38 LEU CD1 . 15685 2 447 . 2 2 39 39 LEU CD2 C 13 25.837 . . 1 . . . . 38 LEU CD2 . 15685 2 448 . 2 2 39 39 LEU CG C 13 27.150 . . 1 . . . . 38 LEU CG . 15685 2 449 . 2 2 39 39 LEU N N 15 119.886 . . 1 . . . . 38 LEU N . 15685 2 450 . 2 2 40 40 VAL H H 1 9.211 . . 1 . . . . 39 VAL HN . 15685 2 451 . 2 2 40 40 VAL HA H 1 5.035 . . 1 . . . . 39 VAL HA . 15685 2 452 . 2 2 40 40 VAL HB H 1 2.054 . . 1 . . . . 39 VAL HB . 15685 2 453 . 2 2 40 40 VAL HG11 H 1 0.930 . . 2 . . . . 39 VAL HG11 . 15685 2 454 . 2 2 40 40 VAL HG12 H 1 0.930 . . 2 . . . . 39 VAL HG11 . 15685 2 455 . 2 2 40 40 VAL HG13 H 1 0.930 . . 2 . . . . 39 VAL HG11 . 15685 2 456 . 2 2 40 40 VAL HG21 H 1 0.966 . . 2 . . . . 39 VAL HG21 . 15685 2 457 . 2 2 40 40 VAL HG22 H 1 0.966 . . 2 . . . . 39 VAL HG21 . 15685 2 458 . 2 2 40 40 VAL HG23 H 1 0.966 . . 2 . . . . 39 VAL HG21 . 15685 2 459 . 2 2 40 40 VAL C C 13 174.318 . . 1 . . . . 39 VAL C . 15685 2 460 . 2 2 40 40 VAL CA C 13 60.446 . . 1 . . . . 39 VAL CA . 15685 2 461 . 2 2 40 40 VAL CB C 13 35.523 . . 1 . . . . 39 VAL CB . 15685 2 462 . 2 2 40 40 VAL CG1 C 13 21.132 . . 1 . . . . 39 VAL CG1 . 15685 2 463 . 2 2 40 40 VAL CG2 C 13 20.779 . . 1 . . . . 39 VAL CG2 . 15685 2 464 . 2 2 40 40 VAL N N 15 122.353 . . 1 . . . . 39 VAL N . 15685 2 465 . 2 2 41 41 ALA H H 1 9.329 . . 1 . . . . 40 ALA HN . 15685 2 466 . 2 2 41 41 ALA HA H 1 4.795 . . 1 . . . . 40 ALA HA . 15685 2 467 . 2 2 41 41 ALA HB1 H 1 1.089 . . 1 . . . . 40 ALA HB1 . 15685 2 468 . 2 2 41 41 ALA HB2 H 1 1.089 . . 1 . . . . 40 ALA HB1 . 15685 2 469 . 2 2 41 41 ALA HB3 H 1 1.089 . . 1 . . . . 40 ALA HB1 . 15685 2 470 . 2 2 41 41 ALA C C 13 173.825 . . 1 . . . . 40 ALA C . 15685 2 471 . 2 2 41 41 ALA CA C 13 50.223 . . 1 . . . . 40 ALA CA . 15685 2 472 . 2 2 41 41 ALA CB C 13 19.033 . . 1 . . . . 40 ALA CB . 15685 2 473 . 2 2 41 41 ALA N N 15 130.158 . . 1 . . . . 40 ALA N . 15685 2 474 . 2 2 42 42 ASN H H 1 8.635 . . 1 . . . . 41 ASN HN . 15685 2 475 . 2 2 42 42 ASN HA H 1 4.825 . . 1 . . . . 41 ASN HA . 15685 2 476 . 2 2 42 42 ASN HB2 H 1 2.135 . . 2 . . . . 41 ASN HB1 . 15685 2 477 . 2 2 42 42 ASN HB3 H 1 1.900 . . 2 . . . . 41 ASN HB2 . 15685 2 478 . 2 2 42 42 ASN C C 13 175.124 . . 1 . . . . 41 ASN C . 15685 2 479 . 2 2 42 42 ASN CA C 13 51.342 . . 1 . . . . 41 ASN CA . 15685 2 480 . 2 2 42 42 ASN CB C 13 38.657 . . 1 . . . . 41 ASN CB . 15685 2 481 . 2 2 42 42 ASN N N 15 121.573 . . 1 . . . . 41 ASN N . 15685 2 482 . 2 2 43 43 PHE H H 1 8.362 . . 1 . . . . 42 PHE HN . 15685 2 483 . 2 2 43 43 PHE HA H 1 4.270 . . 1 . . . . 42 PHE HA . 15685 2 484 . 2 2 43 43 PHE HB2 H 1 3.260 . . 2 . . . . 42 PHE HB1 . 15685 2 485 . 2 2 43 43 PHE HB3 H 1 3.075 . . 2 . . . . 42 PHE HB2 . 15685 2 486 . 2 2 43 43 PHE HD1 H 1 7.125 . . 3 . . . . 42 PHE HD1 . 15685 2 487 . 2 2 43 43 PHE HD2 H 1 7.125 . . 3 . . . . 42 PHE HD2 . 15685 2 488 . 2 2 43 43 PHE C C 13 176.049 . . 1 . . . . 42 PHE C . 15685 2 489 . 2 2 43 43 PHE CA C 13 57.759 . . 1 . . . . 42 PHE CA . 15685 2 490 . 2 2 43 43 PHE CB C 13 37.915 . . 1 . . . . 42 PHE CB . 15685 2 491 . 2 2 43 43 PHE CD1 C 13 130.240 . . 3 . . . . 42 PHE CD1 . 15685 2 492 . 2 2 43 43 PHE CD2 C 13 130.240 . . 3 . . . . 42 PHE CD2 . 15685 2 493 . 2 2 43 43 PHE N N 15 123.292 . . 1 . . . . 42 PHE N . 15685 2 494 . 2 2 44 44 LEU H H 1 7.986 . . 1 . . . . 43 LEU HN . 15685 2 495 . 2 2 44 44 LEU HA H 1 4.350 . . 1 . . . . 43 LEU HA . 15685 2 496 . 2 2 44 44 LEU HB2 H 1 1.825 . . 2 . . . . 43 LEU HB1 . 15685 2 497 . 2 2 44 44 LEU HB3 H 1 1.660 . . 2 . . . . 43 LEU HB2 . 15685 2 498 . 2 2 44 44 LEU HD11 H 1 0.965 . . 2 . . . . 43 LEU HD11 . 15685 2 499 . 2 2 44 44 LEU HD12 H 1 0.965 . . 2 . . . . 43 LEU HD11 . 15685 2 500 . 2 2 44 44 LEU HD13 H 1 0.965 . . 2 . . . . 43 LEU HD11 . 15685 2 501 . 2 2 44 44 LEU HD21 H 1 0.930 . . 2 . . . . 43 LEU HD21 . 15685 2 502 . 2 2 44 44 LEU HD22 H 1 0.930 . . 2 . . . . 43 LEU HD21 . 15685 2 503 . 2 2 44 44 LEU HD23 H 1 0.930 . . 2 . . . . 43 LEU HD21 . 15685 2 504 . 2 2 44 44 LEU HG H 1 1.661 . . 1 . . . . 43 LEU HG . 15685 2 505 . 2 2 44 44 LEU C C 13 178.003 . . 1 . . . . 43 LEU C . 15685 2 506 . 2 2 44 44 LEU CA C 13 57.869 . . 1 . . . . 43 LEU CA . 15685 2 507 . 2 2 44 44 LEU CB C 13 41.508 . . 1 . . . . 43 LEU CB . 15685 2 508 . 2 2 44 44 LEU CD1 C 13 24.860 . . 1 . . . . 43 LEU CD1 . 15685 2 509 . 2 2 44 44 LEU CD2 C 13 23.617 . . 1 . . . . 43 LEU CD2 . 15685 2 510 . 2 2 44 44 LEU CG C 13 27.035 . . 1 . . . . 43 LEU CG . 15685 2 511 . 2 2 44 44 LEU N N 15 121.105 . . 1 . . . . 43 LEU N . 15685 2 512 . 2 2 45 45 ASP H H 1 7.523 . . 1 . . . . 44 ASP HN . 15685 2 513 . 2 2 45 45 ASP HA H 1 4.684 . . 1 . . . . 44 ASP HA . 15685 2 514 . 2 2 45 45 ASP HB2 H 1 2.842 . . 2 . . . . 44 ASP HB1 . 15685 2 515 . 2 2 45 45 ASP HB3 H 1 2.022 . . 2 . . . . 44 ASP HB2 . 15685 2 516 . 2 2 45 45 ASP C C 13 176.839 . . 1 . . . . 44 ASP C . 15685 2 517 . 2 2 45 45 ASP CA C 13 54.771 . . 1 . . . . 44 ASP CA . 15685 2 518 . 2 2 45 45 ASP CB C 13 42.201 . . 1 . . . . 44 ASP CB . 15685 2 519 . 2 2 45 45 ASP N N 15 116.193 . . 1 . . . . 44 ASP N . 15685 2 520 . 2 2 46 46 GLY H H 1 7.263 . . 1 . . . . 45 GLY HN . 15685 2 521 . 2 2 46 46 GLY HA2 H 1 4.185 . . 2 . . . . 45 GLY HA1 . 15685 2 522 . 2 2 46 46 GLY HA3 H 1 3.528 . . 2 . . . . 45 GLY HA2 . 15685 2 523 . 2 2 46 46 GLY C C 13 174.139 . . 1 . . . . 45 GLY C . 15685 2 524 . 2 2 46 46 GLY CA C 13 47.508 . . 1 . . . . 45 GLY CA . 15685 2 525 . 2 2 46 46 GLY N N 15 107.079 . . 1 . . . . 45 GLY N . 15685 2 526 . 2 2 47 47 PHE H H 1 8.189 . . 1 . . . . 46 PHE HN . 15685 2 527 . 2 2 47 47 PHE HA H 1 5.360 . . 1 . . . . 46 PHE HA . 15685 2 528 . 2 2 47 47 PHE HB2 H 1 3.120 . . 2 . . . . 46 PHE HB1 . 15685 2 529 . 2 2 47 47 PHE HB3 H 1 2.843 . . 2 . . . . 46 PHE HB2 . 15685 2 530 . 2 2 47 47 PHE HD1 H 1 6.928 . . 3 . . . . 46 PHE HD1 . 15685 2 531 . 2 2 47 47 PHE HD2 H 1 6.928 . . 3 . . . . 46 PHE HD2 . 15685 2 532 . 2 2 47 47 PHE HE1 H 1 7.245 . . 3 . . . . 46 PHE HE1 . 15685 2 533 . 2 2 47 47 PHE HE2 H 1 7.245 . . 3 . . . . 46 PHE HE2 . 15685 2 534 . 2 2 47 47 PHE HZ H 1 7.361 . . 1 . . . . 46 PHE HZ . 15685 2 535 . 2 2 47 47 PHE C C 13 172.408 . . 1 . . . . 46 PHE C . 15685 2 536 . 2 2 47 47 PHE CA C 13 56.949 . . 1 . . . . 46 PHE CA . 15685 2 537 . 2 2 47 47 PHE CB C 13 41.504 . . 1 . . . . 46 PHE CB . 15685 2 538 . 2 2 47 47 PHE CD1 C 13 132.090 . . 3 . . . . 46 PHE CD1 . 15685 2 539 . 2 2 47 47 PHE CD2 C 13 132.090 . . 3 . . . . 46 PHE CD2 . 15685 2 540 . 2 2 47 47 PHE CE1 C 13 130.240 . . 3 . . . . 46 PHE CE1 . 15685 2 541 . 2 2 47 47 PHE CE2 C 13 130.240 . . 3 . . . . 46 PHE CE2 . 15685 2 542 . 2 2 47 47 PHE CZ C 13 129.510 . . 1 . . . . 46 PHE CZ . 15685 2 543 . 2 2 47 47 PHE N N 15 115.908 . . 1 . . . . 46 PHE N . 15685 2 544 . 2 2 48 48 LEU H H 1 9.175 . . 1 . . . . 47 LEU HN . 15685 2 545 . 2 2 48 48 LEU HA H 1 5.475 . . 1 . . . . 47 LEU HA . 15685 2 546 . 2 2 48 48 LEU HB2 H 1 1.825 . . 2 . . . . 47 LEU HB1 . 15685 2 547 . 2 2 48 48 LEU HB3 H 1 1.491 . . 2 . . . . 47 LEU HB2 . 15685 2 548 . 2 2 48 48 LEU HD11 H 1 0.965 . . 2 . . . . 47 LEU HD11 . 15685 2 549 . 2 2 48 48 LEU HD12 H 1 0.965 . . 2 . . . . 47 LEU HD11 . 15685 2 550 . 2 2 48 48 LEU HD13 H 1 0.965 . . 2 . . . . 47 LEU HD11 . 15685 2 551 . 2 2 48 48 LEU HD21 H 1 0.965 . . 2 . . . . 47 LEU HD21 . 15685 2 552 . 2 2 48 48 LEU HD22 H 1 0.965 . . 2 . . . . 47 LEU HD21 . 15685 2 553 . 2 2 48 48 LEU HD23 H 1 0.965 . . 2 . . . . 47 LEU HD21 . 15685 2 554 . 2 2 48 48 LEU HG H 1 1.730 . . 1 . . . . 47 LEU HG . 15685 2 555 . 2 2 48 48 LEU C C 13 175.049 . . 1 . . . . 47 LEU C . 15685 2 556 . 2 2 48 48 LEU CA C 13 53.805 . . 1 . . . . 47 LEU CA . 15685 2 557 . 2 2 48 48 LEU CB C 13 44.328 . . 1 . . . . 47 LEU CB . 15685 2 558 . 2 2 48 48 LEU CD1 C 13 25.027 . . 1 . . . . 47 LEU CD1 . 15685 2 559 . 2 2 48 48 LEU CD2 C 13 25.027 . . 1 . . . . 47 LEU CD2 . 15685 2 560 . 2 2 48 48 LEU CG C 13 27.637 . . 1 . . . . 47 LEU CG . 15685 2 561 . 2 2 48 48 LEU N N 15 122.069 . . 1 . . . . 47 LEU N . 15685 2 562 . 2 2 49 49 LYS H H 1 9.316 . . 1 . . . . 48 LYS HN . 15685 2 563 . 2 2 49 49 LYS HA H 1 5.665 . . 1 . . . . 48 LYS HA . 15685 2 564 . 2 2 49 49 LYS HB2 H 1 1.704 . . 2 . . . . 48 LYS HB1 . 15685 2 565 . 2 2 49 49 LYS HB3 H 1 1.603 . . 2 . . . . 48 LYS HB2 . 15685 2 566 . 2 2 49 49 LYS HD2 H 1 1.037 . . 2 . . . . 48 LYS HD1 . 15685 2 567 . 2 2 49 49 LYS HD3 H 1 0.898 . . 2 . . . . 48 LYS HD2 . 15685 2 568 . 2 2 49 49 LYS HE2 H 1 2.065 . . 2 . . . . 48 LYS HE1 . 15685 2 569 . 2 2 49 49 LYS HE3 H 1 1.795 . . 2 . . . . 48 LYS HE2 . 15685 2 570 . 2 2 49 49 LYS HG2 H 1 1.165 . . 2 . . . . 48 LYS HG1 . 15685 2 571 . 2 2 49 49 LYS HG3 H 1 1.130 . . 2 . . . . 48 LYS HG2 . 15685 2 572 . 2 2 49 49 LYS C C 13 174.780 . . 1 . . . . 48 LYS C . 15685 2 573 . 2 2 49 49 LYS CA C 13 54.625 . . 1 . . . . 48 LYS CA . 15685 2 574 . 2 2 49 49 LYS CB C 13 36.344 . . 1 . . . . 48 LYS CB . 15685 2 575 . 2 2 49 49 LYS CD C 13 29.521 . . 1 . . . . 48 LYS CD . 15685 2 576 . 2 2 49 49 LYS CE C 13 41.056 . . 1 . . . . 48 LYS CE . 15685 2 577 . 2 2 49 49 LYS CG C 13 24.974 . . 1 . . . . 48 LYS CG . 15685 2 578 . 2 2 49 49 LYS N N 15 126.002 . . 1 . . . . 48 LYS N . 15685 2 579 . 2 2 50 50 PHE H H 1 8.755 . . 1 . . . . 49 PHE HN . 15685 2 580 . 2 2 50 50 PHE HA H 1 5.700 . . 1 . . . . 49 PHE HA . 15685 2 581 . 2 2 50 50 PHE HB2 H 1 3.155 . . 2 . . . . 49 PHE HB1 . 15685 2 582 . 2 2 50 50 PHE HB3 H 1 2.980 . . 2 . . . . 49 PHE HB2 . 15685 2 583 . 2 2 50 50 PHE HD1 H 1 6.476 . . 3 . . . . 49 PHE HD1 . 15685 2 584 . 2 2 50 50 PHE HD2 H 1 6.476 . . 3 . . . . 49 PHE HD2 . 15685 2 585 . 2 2 50 50 PHE HE1 H 1 6.630 . . 3 . . . . 49 PHE HE1 . 15685 2 586 . 2 2 50 50 PHE HE2 H 1 6.630 . . 3 . . . . 49 PHE HE2 . 15685 2 587 . 2 2 50 50 PHE HZ H 1 6.675 . . 1 . . . . 49 PHE HZ . 15685 2 588 . 2 2 50 50 PHE C C 13 173.825 . . 1 . . . . 49 PHE C . 15685 2 589 . 2 2 50 50 PHE CA C 13 55.670 . . 1 . . . . 49 PHE CA . 15685 2 590 . 2 2 50 50 PHE CB C 13 43.507 . . 1 . . . . 49 PHE CB . 15685 2 591 . 2 2 50 50 PHE CD1 C 13 132.240 . . 3 . . . . 49 PHE CD1 . 15685 2 592 . 2 2 50 50 PHE CD2 C 13 132.240 . . 3 . . . . 49 PHE CD2 . 15685 2 593 . 2 2 50 50 PHE CE1 C 13 129.510 . . 3 . . . . 49 PHE CE1 . 15685 2 594 . 2 2 50 50 PHE CE2 C 13 129.510 . . 3 . . . . 49 PHE CE2 . 15685 2 595 . 2 2 50 50 PHE CZ C 13 127.540 . . 1 . . . . 49 PHE CZ . 15685 2 596 . 2 2 50 50 PHE N N 15 121.790 . . 1 . . . . 49 PHE N . 15685 2 597 . 2 2 51 51 GLN H H 1 8.632 . . 1 . . . . 50 GLN HN . 15685 2 598 . 2 2 51 51 GLN HA H 1 4.562 . . 1 . . . . 50 GLN HA . 15685 2 599 . 2 2 51 51 GLN HB2 H 1 1.683 . . 2 . . . . 50 GLN HB1 . 15685 2 600 . 2 2 51 51 GLN HB3 H 1 1.501 . . 2 . . . . 50 GLN HB2 . 15685 2 601 . 2 2 51 51 GLN HG2 H 1 2.049 . . 2 . . . . 50 GLN HG1 . 15685 2 602 . 2 2 51 51 GLN HG3 H 1 1.935 . . 2 . . . . 50 GLN HG2 . 15685 2 603 . 2 2 51 51 GLN C C 13 173.706 . . 1 . . . . 50 GLN C . 15685 2 604 . 2 2 51 51 GLN CA C 13 54.700 . . 1 . . . . 50 GLN CA . 15685 2 605 . 2 2 51 51 GLN CB C 13 32.762 . . 1 . . . . 50 GLN CB . 15685 2 606 . 2 2 51 51 GLN CG C 13 33.731 . . 1 . . . . 50 GLN CG . 15685 2 607 . 2 2 51 51 GLN N N 15 121.790 . . 1 . . . . 50 GLN N . 15685 2 608 . 2 2 52 52 THR H H 1 8.634 . . 1 . . . . 51 THR HN . 15685 2 609 . 2 2 52 52 THR HA H 1 4.885 . . 1 . . . . 51 THR HA . 15685 2 610 . 2 2 52 52 THR HB H 1 4.260 . . 1 . . . . 51 THR HB . 15685 2 611 . 2 2 52 52 THR HG21 H 1 1.485 . . 1 . . . . 51 THR HG21 . 15685 2 612 . 2 2 52 52 THR HG22 H 1 1.485 . . 1 . . . . 51 THR HG21 . 15685 2 613 . 2 2 52 52 THR HG23 H 1 1.485 . . 1 . . . . 51 THR HG21 . 15685 2 614 . 2 2 52 52 THR C C 13 174.795 . . 1 . . . . 51 THR C . 15685 2 615 . 2 2 52 52 THR CA C 13 61.789 . . 1 . . . . 51 THR CA . 15685 2 616 . 2 2 52 52 THR CB C 13 70.146 . . 1 . . . . 51 THR CB . 15685 2 617 . 2 2 52 52 THR CG2 C 13 22.804 . . 1 . . . . 51 THR CG2 . 15685 2 618 . 2 2 52 52 THR N N 15 119.944 . . 1 . . . . 51 THR N . 15685 2 619 . 2 2 53 53 GLY H H 1 8.120 . . 1 . . . . 52 GLY HN . 15685 2 620 . 2 2 53 53 GLY HA2 H 1 4.170 . . 2 . . . . 52 GLY HA1 . 15685 2 621 . 2 2 53 53 GLY HA3 H 1 3.900 . . 2 . . . . 52 GLY HA2 . 15685 2 622 . 2 2 53 53 GLY C C 13 174.447 . . 1 . . . . 52 GLY C . 15685 2 623 . 2 2 53 53 GLY CA C 13 45.891 . . 1 . . . . 52 GLY CA . 15685 2 624 . 2 2 53 53 GLY N N 15 114.146 . . 1 . . . . 52 GLY N . 15685 2 625 . 2 2 56 56 SER HA H 1 4.315 . . 1 . . . . 55 SER HA . 15685 2 626 . 2 2 56 56 SER HB2 H 1 3.860 . . 2 . . . . 55 SER HB1 . 15685 2 627 . 2 2 56 56 SER HB3 H 1 3.860 . . 2 . . . . 55 SER HB2 . 15685 2 628 . 2 2 56 56 SER C C 13 173.900 . . 1 . . . . 55 SER C . 15685 2 629 . 2 2 56 56 SER CA C 13 58.247 . . 1 . . . . 55 SER CA . 15685 2 630 . 2 2 56 56 SER CB C 13 63.862 . . 1 . . . . 55 SER CB . 15685 2 631 . 2 2 57 57 ALA H H 1 7.925 . . 1 . . . . 56 ALA HN . 15685 2 632 . 2 2 57 57 ALA HA H 1 4.300 . . 1 . . . . 56 ALA HA . 15685 2 633 . 2 2 57 57 ALA HB1 H 1 1.290 . . 1 . . . . 56 ALA HB1 . 15685 2 634 . 2 2 57 57 ALA HB2 H 1 1.290 . . 1 . . . . 56 ALA HB1 . 15685 2 635 . 2 2 57 57 ALA HB3 H 1 1.290 . . 1 . . . . 56 ALA HB1 . 15685 2 636 . 2 2 57 57 ALA C C 13 176.407 . . 1 . . . . 56 ALA C . 15685 2 637 . 2 2 57 57 ALA CA C 13 52.108 . . 1 . . . . 56 ALA CA . 15685 2 638 . 2 2 57 57 ALA CB C 13 19.455 . . 1 . . . . 56 ALA CB . 15685 2 639 . 2 2 57 57 ALA N N 15 124.873 . . 1 . . . . 56 ALA N . 15685 2 640 . 2 2 58 58 PHE H H 1 7.865 . . 1 . . . . 57 PHE HN . 15685 2 641 . 2 2 58 58 PHE HA H 1 4.900 . . 1 . . . . 57 PHE HA . 15685 2 642 . 2 2 58 58 PHE HB2 H 1 2.745 . . 2 . . . . 57 PHE HB1 . 15685 2 643 . 2 2 58 58 PHE HB3 H 1 2.670 . . 2 . . . . 57 PHE HB2 . 15685 2 644 . 2 2 58 58 PHE HD1 H 1 6.955 . . 3 . . . . 57 PHE HD1 . 15685 2 645 . 2 2 58 58 PHE HD2 H 1 6.955 . . 3 . . . . 57 PHE HD2 . 15685 2 646 . 2 2 58 58 PHE HE1 H 1 7.160 . . 3 . . . . 57 PHE HE1 . 15685 2 647 . 2 2 58 58 PHE HE2 H 1 7.160 . . 3 . . . . 57 PHE HE2 . 15685 2 648 . 2 2 58 58 PHE C C 13 175.138 . . 1 . . . . 57 PHE C . 15685 2 649 . 2 2 58 58 PHE CA C 13 56.588 . . 1 . . . . 57 PHE CA . 15685 2 650 . 2 2 58 58 PHE CB C 13 41.227 . . 1 . . . . 57 PHE CB . 15685 2 651 . 2 2 58 58 PHE CD1 C 13 132.240 . . 3 . . . . 57 PHE CD1 . 15685 2 652 . 2 2 58 58 PHE CD2 C 13 132.240 . . 3 . . . . 57 PHE CD2 . 15685 2 653 . 2 2 58 58 PHE CE1 C 13 130.600 . . 3 . . . . 57 PHE CE1 . 15685 2 654 . 2 2 58 58 PHE CE2 C 13 130.600 . . 3 . . . . 57 PHE CE2 . 15685 2 655 . 2 2 58 58 PHE N N 15 117.487 . . 1 . . . . 57 PHE N . 15685 2 656 . 2 2 59 59 ASP H H 1 8.069 . . 1 . . . . 58 ASP HN . 15685 2 657 . 2 2 59 59 ASP HA H 1 4.689 . . 1 . . . . 58 ASP HA . 15685 2 658 . 2 2 59 59 ASP HB2 H 1 1.795 . . 2 . . . . 58 ASP HB1 . 15685 2 659 . 2 2 59 59 ASP HB3 H 1 0.990 . . 2 . . . . 58 ASP HB2 . 15685 2 660 . 2 2 59 59 ASP C C 13 173.812 . . 1 . . . . 58 ASP C . 15685 2 661 . 2 2 59 59 ASP CA C 13 53.407 . . 1 . . . . 58 ASP CA . 15685 2 662 . 2 2 59 59 ASP CB C 13 45.252 . . 1 . . . . 58 ASP CB . 15685 2 663 . 2 2 59 59 ASP N N 15 120.518 . . 1 . . . . 58 ASP N . 15685 2 664 . 2 2 60 60 VAL H H 1 8.205 . . 1 . . . . 59 VAL HN . 15685 2 665 . 2 2 60 60 VAL HA H 1 5.085 . . 1 . . . . 59 VAL HA . 15685 2 666 . 2 2 60 60 VAL HB H 1 1.820 . . 1 . . . . 59 VAL HB . 15685 2 667 . 2 2 60 60 VAL HG11 H 1 0.720 . . 2 . . . . 59 VAL HG11 . 15685 2 668 . 2 2 60 60 VAL HG12 H 1 0.720 . . 2 . . . . 59 VAL HG11 . 15685 2 669 . 2 2 60 60 VAL HG13 H 1 0.720 . . 2 . . . . 59 VAL HG11 . 15685 2 670 . 2 2 60 60 VAL HG21 H 1 0.720 . . 2 . . . . 59 VAL HG21 . 15685 2 671 . 2 2 60 60 VAL HG22 H 1 0.720 . . 2 . . . . 59 VAL HG21 . 15685 2 672 . 2 2 60 60 VAL HG23 H 1 0.720 . . 2 . . . . 59 VAL HG21 . 15685 2 673 . 2 2 60 60 VAL C C 13 174.945 . . 1 . . . . 59 VAL C . 15685 2 674 . 2 2 60 60 VAL CA C 13 60.710 . . 1 . . . . 59 VAL CA . 15685 2 675 . 2 2 60 60 VAL CB C 13 35.771 . . 1 . . . . 59 VAL CB . 15685 2 676 . 2 2 60 60 VAL CG1 C 13 21.235 . . 1 . . . . 59 VAL CG1 . 15685 2 677 . 2 2 60 60 VAL CG2 C 13 21.235 . . 1 . . . . 59 VAL CG2 . 15685 2 678 . 2 2 60 60 VAL N N 15 116.166 . . 1 . . . . 59 VAL N . 15685 2 679 . 2 2 61 61 VAL H H 1 9.272 . . 1 . . . . 60 VAL HN . 15685 2 680 . 2 2 61 61 VAL HA H 1 4.310 . . 1 . . . . 60 VAL HA . 15685 2 681 . 2 2 61 61 VAL HB H 1 2.185 . . 1 . . . . 60 VAL HB . 15685 2 682 . 2 2 61 61 VAL HG11 H 1 1.115 . . 2 . . . . 60 VAL HG11 . 15685 2 683 . 2 2 61 61 VAL HG12 H 1 1.115 . . 2 . . . . 60 VAL HG11 . 15685 2 684 . 2 2 61 61 VAL HG13 H 1 1.115 . . 2 . . . . 60 VAL HG11 . 15685 2 685 . 2 2 61 61 VAL HG21 H 1 1.003 . . 2 . . . . 60 VAL HG21 . 15685 2 686 . 2 2 61 61 VAL HG22 H 1 1.003 . . 2 . . . . 60 VAL HG21 . 15685 2 687 . 2 2 61 61 VAL HG23 H 1 1.003 . . 2 . . . . 60 VAL HG21 . 15685 2 688 . 2 2 61 61 VAL C C 13 174.885 . . 1 . . . . 60 VAL C . 15685 2 689 . 2 2 61 61 VAL CA C 13 61.117 . . 1 . . . . 60 VAL CA . 15685 2 690 . 2 2 61 61 VAL CB C 13 34.900 . . 1 . . . . 60 VAL CB . 15685 2 691 . 2 2 61 61 VAL CG1 C 13 21.873 . . 1 . . . . 60 VAL CG1 . 15685 2 692 . 2 2 61 61 VAL CG2 C 13 20.614 . . 1 . . . . 60 VAL CG2 . 15685 2 693 . 2 2 61 61 VAL N N 15 125.606 . . 1 . . . . 60 VAL N . 15685 2 694 . 2 2 62 62 GLU H H 1 9.113 . . 1 . . . . 61 GLU HN . 15685 2 695 . 2 2 62 62 GLU HA H 1 4.348 . . 1 . . . . 61 GLU HA . 15685 2 696 . 2 2 62 62 GLU HB2 H 1 2.045 . . 2 . . . . 61 GLU HB1 . 15685 2 697 . 2 2 62 62 GLU HB3 H 1 2.045 . . 2 . . . . 61 GLU HB2 . 15685 2 698 . 2 2 62 62 GLU HG2 H 1 2.360 . . 2 . . . . 61 GLU HG1 . 15685 2 699 . 2 2 62 62 GLU HG3 H 1 2.360 . . 2 . . . . 61 GLU HG2 . 15685 2 700 . 2 2 62 62 GLU C C 13 175.437 . . 1 . . . . 61 GLU C . 15685 2 701 . 2 2 62 62 GLU CA C 13 58.431 . . 1 . . . . 61 GLU CA . 15685 2 702 . 2 2 62 62 GLU CB C 13 29.689 . . 1 . . . . 61 GLU CB . 15685 2 703 . 2 2 62 62 GLU CG C 13 36.846 . . 1 . . . . 61 GLU CG . 15685 2 704 . 2 2 62 62 GLU N N 15 127.978 . . 1 . . . . 61 GLU N . 15685 2 705 . 2 2 63 63 VAL H H 1 7.600 . . 1 . . . . 62 VAL HN . 15685 2 706 . 2 2 63 63 VAL HA H 1 3.990 . . 1 . . . . 62 VAL HA . 15685 2 707 . 2 2 63 63 VAL HB H 1 1.265 . . 1 . . . . 62 VAL HB . 15685 2 708 . 2 2 63 63 VAL HG11 H 1 0.003 . . 2 . . . . 62 VAL HG11 . 15685 2 709 . 2 2 63 63 VAL HG12 H 1 0.003 . . 2 . . . . 62 VAL HG11 . 15685 2 710 . 2 2 63 63 VAL HG13 H 1 0.003 . . 2 . . . . 62 VAL HG11 . 15685 2 711 . 2 2 63 63 VAL HG21 H 1 0.378 . . 2 . . . . 62 VAL HG21 . 15685 2 712 . 2 2 63 63 VAL HG22 H 1 0.378 . . 2 . . . . 62 VAL HG21 . 15685 2 713 . 2 2 63 63 VAL HG23 H 1 0.378 . . 2 . . . . 62 VAL HG21 . 15685 2 714 . 2 2 63 63 VAL C C 13 174.064 . . 1 . . . . 62 VAL C . 15685 2 715 . 2 2 63 63 VAL CA C 13 60.998 . . 1 . . . . 62 VAL CA . 15685 2 716 . 2 2 63 63 VAL CB C 13 33.502 . . 1 . . . . 62 VAL CB . 15685 2 717 . 2 2 63 63 VAL CG1 C 13 20.595 . . 1 . . . . 62 VAL CG1 . 15685 2 718 . 2 2 63 63 VAL CG2 C 13 19.430 . . 1 . . . . 62 VAL CG2 . 15685 2 719 . 2 2 63 63 VAL N N 15 121.525 . . 1 . . . . 62 VAL N . 15685 2 720 . 2 2 64 64 GLU H H 1 7.824 . . 1 . . . . 63 GLU HN . 15685 2 721 . 2 2 64 64 GLU HA H 1 4.320 . . 1 . . . . 63 GLU HA . 15685 2 722 . 2 2 64 64 GLU HB2 H 1 2.069 . . 2 . . . . 63 GLU HB1 . 15685 2 723 . 2 2 64 64 GLU HB3 H 1 2.069 . . 2 . . . . 63 GLU HB2 . 15685 2 724 . 2 2 64 64 GLU HG2 H 1 2.000 . . 2 . . . . 63 GLU HG1 . 15685 2 725 . 2 2 64 64 GLU C C 13 174.333 . . 1 . . . . 63 GLU C . 15685 2 726 . 2 2 64 64 GLU CA C 13 56.505 . . 1 . . . . 63 GLU CA . 15685 2 727 . 2 2 64 64 GLU CB C 13 31.127 . . 1 . . . . 63 GLU CB . 15685 2 728 . 2 2 64 64 GLU CG C 13 36.576 . . 1 . . . . 63 GLU CG . 15685 2 729 . 2 2 64 64 GLU N N 15 123.203 . . 1 . . . . 63 GLU N . 15685 2 730 . 2 2 65 65 GLU H H 1 8.640 . . 1 . . . . 64 GLU HN . 15685 2 731 . 2 2 65 65 GLU C C 13 172.289 . . 1 . . . . 64 GLU C . 15685 2 732 . 2 2 65 65 GLU CA C 13 55.894 . . 1 . . . . 64 GLU CA . 15685 2 733 . 2 2 65 65 GLU CB C 13 29.778 . . 1 . . . . 64 GLU CB . 15685 2 734 . 2 2 65 65 GLU N N 15 118.697 . . 1 . . . . 64 GLU N . 15685 2 735 . 2 2 66 66 PRO HA H 1 4.627 . . 1 . . . . 65 PRO HA . 15685 2 736 . 2 2 66 66 PRO HB2 H 1 1.575 . . 2 . . . . 65 PRO HB1 . 15685 2 737 . 2 2 66 66 PRO HB3 H 1 1.405 . . 2 . . . . 65 PRO HB2 . 15685 2 738 . 2 2 66 66 PRO HD2 H 1 3.620 . . 2 . . . . 65 PRO HD1 . 15685 2 739 . 2 2 66 66 PRO HD3 H 1 3.235 . . 2 . . . . 65 PRO HD2 . 15685 2 740 . 2 2 66 66 PRO HG2 H 1 2.084 . . 2 . . . . 65 PRO HG1 . 15685 2 741 . 2 2 66 66 PRO HG3 H 1 1.314 . . 2 . . . . 65 PRO HG2 . 15685 2 742 . 2 2 66 66 PRO C C 13 177.466 . . 1 . . . . 65 PRO C . 15685 2 743 . 2 2 66 66 PRO CA C 13 63.132 . . 1 . . . . 65 PRO CA . 15685 2 744 . 2 2 66 66 PRO CB C 13 31.494 . . 1 . . . . 65 PRO CB . 15685 2 745 . 2 2 66 66 PRO CD C 13 50.115 . . 1 . . . . 65 PRO CD . 15685 2 746 . 2 2 66 66 PRO CG C 13 27.735 . . 1 . . . . 65 PRO CG . 15685 2 747 . 2 2 67 67 ALA H H 1 8.589 . . 1 . . . . 66 ALA HN . 15685 2 748 . 2 2 67 67 ALA HA H 1 4.364 . . 1 . . . . 66 ALA HA . 15685 2 749 . 2 2 67 67 ALA HB1 H 1 1.177 . . 1 . . . . 66 ALA HB1 . 15685 2 750 . 2 2 67 67 ALA HB2 H 1 1.177 . . 1 . . . . 66 ALA HB1 . 15685 2 751 . 2 2 67 67 ALA HB3 H 1 1.177 . . 1 . . . . 66 ALA HB1 . 15685 2 752 . 2 2 67 67 ALA C C 13 176.616 . . 1 . . . . 66 ALA C . 15685 2 753 . 2 2 67 67 ALA CA C 13 52.387 . . 1 . . . . 66 ALA CA . 15685 2 754 . 2 2 67 67 ALA CB C 13 20.824 . . 1 . . . . 66 ALA CB . 15685 2 755 . 2 2 67 67 ALA N N 15 122.927 . . 1 . . . . 66 ALA N . 15685 2 756 . 2 2 68 68 GLY H H 1 8.868 . . 1 . . . . 67 GLY HN . 15685 2 757 . 2 2 68 68 GLY C C 13 170.722 . . 1 . . . . 67 GLY C . 15685 2 758 . 2 2 68 68 GLY CA C 13 45.671 . . 1 . . . . 67 GLY CA . 15685 2 759 . 2 2 68 68 GLY N N 15 108.599 . . 1 . . . . 67 GLY N . 15685 2 760 . 2 2 69 69 PRO HA H 1 4.450 . . 1 . . . . 68 PRO HA . 15685 2 761 . 2 2 69 69 PRO HB2 H 1 2.117 . . 2 . . . . 68 PRO HB1 . 15685 2 762 . 2 2 69 69 PRO HB3 H 1 1.760 . . 2 . . . . 68 PRO HB2 . 15685 2 763 . 2 2 69 69 PRO HD2 H 1 3.450 . . 2 . . . . 68 PRO HD1 . 15685 2 764 . 2 2 69 69 PRO HD3 H 1 3.353 . . 2 . . . . 68 PRO HD2 . 15685 2 765 . 2 2 69 69 PRO HG2 H 1 1.973 . . 2 . . . . 68 PRO HG1 . 15685 2 766 . 2 2 69 69 PRO HG3 H 1 1.744 . . 2 . . . . 68 PRO HG2 . 15685 2 767 . 2 2 69 69 PRO C C 13 176.481 . . 1 . . . . 68 PRO C . 15685 2 768 . 2 2 69 69 PRO CA C 13 63.579 . . 1 . . . . 68 PRO CA . 15685 2 769 . 2 2 69 69 PRO CB C 13 31.718 . . 1 . . . . 68 PRO CB . 15685 2 770 . 2 2 69 69 PRO CD C 13 50.670 . . 1 . . . . 68 PRO CD . 15685 2 771 . 2 2 69 69 PRO CG C 13 27.874 . . 1 . . . . 68 PRO CG . 15685 2 772 . 2 2 70 70 ALA H H 1 8.600 . . 1 . . . . 69 ALA HN . 15685 2 773 . 2 2 70 70 ALA HA H 1 4.915 . . 1 . . . . 69 ALA HA . 15685 2 774 . 2 2 70 70 ALA HB1 H 1 1.080 . . 1 . . . . 69 ALA HB1 . 15685 2 775 . 2 2 70 70 ALA HB2 H 1 1.080 . . 1 . . . . 69 ALA HB1 . 15685 2 776 . 2 2 70 70 ALA HB3 H 1 1.080 . . 1 . . . . 69 ALA HB1 . 15685 2 777 . 2 2 70 70 ALA C C 13 174.005 . . 1 . . . . 69 ALA C . 15685 2 778 . 2 2 70 70 ALA CA C 13 51.566 . . 1 . . . . 69 ALA CA . 15685 2 779 . 2 2 70 70 ALA CB C 13 23.137 . . 1 . . . . 69 ALA CB . 15685 2 780 . 2 2 70 70 ALA N N 15 127.512 . . 1 . . . . 69 ALA N . 15685 2 781 . 2 2 71 71 VAL H H 1 9.034 . . 1 . . . . 70 VAL HN . 15685 2 782 . 2 2 71 71 VAL HA H 1 5.147 . . 1 . . . . 70 VAL HA . 15685 2 783 . 2 2 71 71 VAL HB H 1 2.054 . . 1 . . . . 70 VAL HB . 15685 2 784 . 2 2 71 71 VAL HG11 H 1 0.855 . . 2 . . . . 70 VAL HG11 . 15685 2 785 . 2 2 71 71 VAL HG12 H 1 0.855 . . 2 . . . . 70 VAL HG11 . 15685 2 786 . 2 2 71 71 VAL HG13 H 1 0.855 . . 2 . . . . 70 VAL HG11 . 15685 2 787 . 2 2 71 71 VAL HG21 H 1 0.900 . . 2 . . . . 70 VAL HG21 . 15685 2 788 . 2 2 71 71 VAL HG22 H 1 0.900 . . 2 . . . . 70 VAL HG21 . 15685 2 789 . 2 2 71 71 VAL HG23 H 1 0.900 . . 2 . . . . 70 VAL HG21 . 15685 2 790 . 2 2 71 71 VAL C C 13 175.676 . . 1 . . . . 70 VAL C . 15685 2 791 . 2 2 71 71 VAL CA C 13 61.341 . . 1 . . . . 70 VAL CA . 15685 2 792 . 2 2 71 71 VAL CB C 13 35.150 . . 1 . . . . 70 VAL CB . 15685 2 793 . 2 2 71 71 VAL CG1 C 13 22.495 . . 1 . . . . 70 VAL CG1 . 15685 2 794 . 2 2 71 71 VAL CG2 C 13 21.404 . . 1 . . . . 70 VAL CG2 . 15685 2 795 . 2 2 71 71 VAL N N 15 118.291 . . 1 . . . . 70 VAL N . 15685 2 796 . 2 2 72 72 LEU H H 1 9.757 . . 1 . . . . 71 LEU HN . 15685 2 797 . 2 2 72 72 LEU HA H 1 5.833 . . 1 . . . . 71 LEU HA . 15685 2 798 . 2 2 72 72 LEU HB2 H 1 2.060 . . 2 . . . . 71 LEU HB1 . 15685 2 799 . 2 2 72 72 LEU HB3 H 1 1.491 . . 2 . . . . 71 LEU HB2 . 15685 2 800 . 2 2 72 72 LEU HD11 H 1 0.882 . . 2 . . . . 71 LEU HD11 . 15685 2 801 . 2 2 72 72 LEU HD12 H 1 0.882 . . 2 . . . . 71 LEU HD11 . 15685 2 802 . 2 2 72 72 LEU HD13 H 1 0.882 . . 2 . . . . 71 LEU HD11 . 15685 2 803 . 2 2 72 72 LEU HD21 H 1 0.943 . . 2 . . . . 71 LEU HD21 . 15685 2 804 . 2 2 72 72 LEU HD22 H 1 0.943 . . 2 . . . . 71 LEU HD21 . 15685 2 805 . 2 2 72 72 LEU HD23 H 1 0.943 . . 2 . . . . 71 LEU HD21 . 15685 2 806 . 2 2 72 72 LEU HG H 1 1.564 . . 1 . . . . 71 LEU HG . 15685 2 807 . 2 2 72 72 LEU C C 13 175.228 . . 1 . . . . 71 LEU C . 15685 2 808 . 2 2 72 72 LEU CA C 13 52.909 . . 1 . . . . 71 LEU CA . 15685 2 809 . 2 2 72 72 LEU CB C 13 47.164 . . 1 . . . . 71 LEU CB . 15685 2 810 . 2 2 72 72 LEU CD1 C 13 27.775 . . 1 . . . . 71 LEU CD1 . 15685 2 811 . 2 2 72 72 LEU CD2 C 13 24.713 . . 1 . . . . 71 LEU CD2 . 15685 2 812 . 2 2 72 72 LEU CG C 13 27.995 . . 1 . . . . 71 LEU CG . 15685 2 813 . 2 2 72 72 LEU N N 15 131.853 . . 1 . . . . 71 LEU N . 15685 2 814 . 2 2 73 73 THR H H 1 9.774 . . 1 . . . . 72 THR HN . 15685 2 815 . 2 2 73 73 THR HA H 1 5.783 . . 1 . . . . 72 THR HA . 15685 2 816 . 2 2 73 73 THR HB H 1 3.797 . . 1 . . . . 72 THR HB . 15685 2 817 . 2 2 73 73 THR HG21 H 1 0.891 . . 1 . . . . 72 THR HG21 . 15685 2 818 . 2 2 73 73 THR HG22 H 1 0.891 . . 1 . . . . 72 THR HG21 . 15685 2 819 . 2 2 73 73 THR HG23 H 1 0.891 . . 1 . . . . 72 THR HG21 . 15685 2 820 . 2 2 73 73 THR C C 13 173.288 . . 1 . . . . 72 THR C . 15685 2 821 . 2 2 73 73 THR CA C 13 61.341 . . 1 . . . . 72 THR CA . 15685 2 822 . 2 2 73 73 THR CB C 13 70.444 . . 1 . . . . 72 THR CB . 15685 2 823 . 2 2 73 73 THR CG2 C 13 21.300 . . 1 . . . . 72 THR CG2 . 15685 2 824 . 2 2 73 73 THR N N 15 125.683 . . 1 . . . . 72 THR N . 15685 2 825 . 2 2 74 74 ILE H H 1 9.085 . . 1 . . . . 73 ILE HN . 15685 2 826 . 2 2 74 74 ILE HA H 1 4.927 . . 1 . . . . 73 ILE HA . 15685 2 827 . 2 2 74 74 ILE HB H 1 1.634 . . 1 . . . . 73 ILE HB . 15685 2 828 . 2 2 74 74 ILE HD11 H 1 0.800 . . 1 . . . . 73 ILE HD11 . 15685 2 829 . 2 2 74 74 ILE HD12 H 1 0.800 . . 1 . . . . 73 ILE HD11 . 15685 2 830 . 2 2 74 74 ILE HD13 H 1 0.800 . . 1 . . . . 73 ILE HD11 . 15685 2 831 . 2 2 74 74 ILE HG12 H 1 1.634 . . 1 . . . . 73 ILE HG11 . 15685 2 832 . 2 2 74 74 ILE HG13 H 1 1.010 . . 1 . . . . 73 ILE HG12 . 15685 2 833 . 2 2 74 74 ILE HG21 H 1 0.695 . . 2 . . . . 73 ILE HG21 . 15685 2 834 . 2 2 74 74 ILE HG22 H 1 0.695 . . 2 . . . . 73 ILE HG21 . 15685 2 835 . 2 2 74 74 ILE HG23 H 1 0.695 . . 2 . . . . 73 ILE HG21 . 15685 2 836 . 2 2 74 74 ILE C C 13 174.482 . . 1 . . . . 73 ILE C . 15685 2 837 . 2 2 74 74 ILE CA C 13 59.849 . . 1 . . . . 73 ILE CA . 15685 2 838 . 2 2 74 74 ILE CB C 13 41.343 . . 1 . . . . 73 ILE CB . 15685 2 839 . 2 2 74 74 ILE CD1 C 13 15.148 . . 1 . . . . 73 ILE CD1 . 15685 2 840 . 2 2 74 74 ILE CG1 C 13 27.227 . . 2 . . . . 73 ILE CG1 . 15685 2 841 . 2 2 74 74 ILE CG2 C 13 17.188 . . 1 . . . . 73 ILE CG2 . 15685 2 842 . 2 2 74 74 ILE N N 15 124.883 . . 1 . . . . 73 ILE N . 15685 2 843 . 2 2 75 75 GLY H H 1 9.824 . . 1 . . . . 74 GLY HN . 15685 2 844 . 2 2 75 75 GLY HA2 H 1 5.010 . . 2 . . . . 74 GLY HA1 . 15685 2 845 . 2 2 75 75 GLY HA3 H 1 3.193 . . 2 . . . . 74 GLY HA2 . 15685 2 846 . 2 2 75 75 GLY C C 13 170.065 . . 1 . . . . 74 GLY C . 15685 2 847 . 2 2 75 75 GLY CA C 13 44.776 . . 1 . . . . 74 GLY CA . 15685 2 848 . 2 2 75 75 GLY N N 15 114.001 . . 1 . . . . 74 GLY N . 15685 2 849 . 2 2 76 76 LEU H H 1 7.814 . . 1 . . . . 75 LEU HN . 15685 2 850 . 2 2 76 76 LEU HA H 1 5.102 . . 1 . . . . 75 LEU HA . 15685 2 851 . 2 2 76 76 LEU HB2 H 1 1.925 . . 2 . . . . 75 LEU HB1 . 15685 2 852 . 2 2 76 76 LEU HB3 H 1 0.915 . . 2 . . . . 75 LEU HB2 . 15685 2 853 . 2 2 76 76 LEU HD11 H 1 0.665 . . 2 . . . . 75 LEU HD11 . 15685 2 854 . 2 2 76 76 LEU HD12 H 1 0.665 . . 2 . . . . 75 LEU HD11 . 15685 2 855 . 2 2 76 76 LEU HD13 H 1 0.665 . . 2 . . . . 75 LEU HD11 . 15685 2 856 . 2 2 76 76 LEU HD21 H 1 0.665 . . 2 . . . . 75 LEU HD21 . 15685 2 857 . 2 2 76 76 LEU HD22 H 1 0.665 . . 2 . . . . 75 LEU HD21 . 15685 2 858 . 2 2 76 76 LEU HD23 H 1 0.665 . . 2 . . . . 75 LEU HD21 . 15685 2 859 . 2 2 76 76 LEU HG H 1 1.433 . . 1 . . . . 75 LEU HG . 15685 2 860 . 2 2 76 76 LEU C C 13 174.751 . . 1 . . . . 75 LEU C . 15685 2 861 . 2 2 76 76 LEU CA C 13 53.282 . . 1 . . . . 75 LEU CA . 15685 2 862 . 2 2 76 76 LEU CB C 13 44.477 . . 1 . . . . 75 LEU CB . 15685 2 863 . 2 2 76 76 LEU CD1 C 13 25.327 . . 1 . . . . 75 LEU CD1 . 15685 2 864 . 2 2 76 76 LEU CD2 C 13 23.032 . . 1 . . . . 75 LEU CD2 . 15685 2 865 . 2 2 76 76 LEU CG C 13 27.600 . . 1 . . . . 75 LEU CG . 15685 2 866 . 2 2 76 76 LEU N N 15 125.165 . . 1 . . . . 75 LEU N . 15685 2 867 . 2 2 77 77 GLY H H 1 9.344 . . 1 . . . . 76 GLY HN . 15685 2 868 . 2 2 77 77 GLY HA2 H 1 4.356 . . 2 . . . . 76 GLY HA1 . 15685 2 869 . 2 2 77 77 GLY HA3 H 1 3.285 . . 2 . . . . 76 GLY HA2 . 15685 2 870 . 2 2 77 77 GLY C C 13 172.542 . . 1 . . . . 76 GLY C . 15685 2 871 . 2 2 77 77 GLY CA C 13 42.985 . . 1 . . . . 76 GLY CA . 15685 2 872 . 2 2 77 77 GLY N N 15 113.551 . . 1 . . . . 76 GLY N . 15685 2 873 . 2 2 78 78 HIS H H 1 8.117 . . 1 . . . . 77 HIS HN . 15685 2 874 . 2 2 78 78 HIS HA H 1 4.435 . . 1 . . . . 77 HIS HA . 15685 2 875 . 2 2 78 78 HIS HB2 H 1 3.140 . . 2 . . . . 77 HIS HB1 . 15685 2 876 . 2 2 78 78 HIS HB3 H 1 3.090 . . 2 . . . . 77 HIS HB2 . 15685 2 877 . 2 2 78 78 HIS C C 13 176.168 . . 1 . . . . 77 HIS C . 15685 2 878 . 2 2 78 78 HIS CA C 13 56.876 . . 1 . . . . 77 HIS CA . 15685 2 879 . 2 2 78 78 HIS CB C 13 30.634 . . 1 . . . . 77 HIS CB . 15685 2 880 . 2 2 78 78 HIS N N 15 117.220 . . 1 . . . . 77 HIS N . 15685 2 881 . 2 2 79 79 LYS H H 1 8.909 . . 1 . . . . 78 LYS HN . 15685 2 882 . 2 2 79 79 LYS HA H 1 3.800 . . 1 . . . . 78 LYS HA . 15685 2 883 . 2 2 79 79 LYS HB2 H 1 2.044 . . 2 . . . . 78 LYS HB1 . 15685 2 884 . 2 2 79 79 LYS HB3 H 1 1.680 . . 2 . . . . 78 LYS HB2 . 15685 2 885 . 2 2 79 79 LYS HD2 H 1 1.645 . . 2 . . . . 78 LYS HD1 . 15685 2 886 . 2 2 79 79 LYS HD3 H 1 1.625 . . 2 . . . . 78 LYS HD2 . 15685 2 887 . 2 2 79 79 LYS HE2 H 1 3.000 . . 2 . . . . 78 LYS HE1 . 15685 2 888 . 2 2 79 79 LYS HE3 H 1 2.979 . . 2 . . . . 78 LYS HE2 . 15685 2 889 . 2 2 79 79 LYS HG2 H 1 1.210 . . 2 . . . . 78 LYS HG1 . 15685 2 890 . 2 2 79 79 LYS HG3 H 1 1.155 . . 2 . . . . 78 LYS HG2 . 15685 2 891 . 2 2 79 79 LYS C C 13 176.810 . . 1 . . . . 78 LYS C . 15685 2 892 . 2 2 79 79 LYS CA C 13 56.863 . . 1 . . . . 78 LYS CA . 15685 2 893 . 2 2 79 79 LYS CB C 13 30.449 . . 1 . . . . 78 LYS CB . 15685 2 894 . 2 2 79 79 LYS CD C 13 29.206 . . 1 . . . . 78 LYS CD . 15685 2 895 . 2 2 79 79 LYS CE C 13 42.124 . . 1 . . . . 78 LYS CE . 15685 2 896 . 2 2 79 79 LYS CG C 13 25.257 . . 1 . . . . 78 LYS CG . 15685 2 897 . 2 2 79 79 LYS N N 15 120.566 . . 1 . . . . 78 LYS N . 15685 2 898 . 2 2 80 80 GLY H H 1 8.255 . . 1 . . . . 79 GLY HN . 15685 2 899 . 2 2 80 80 GLY HA2 H 1 4.159 . . 2 . . . . 79 GLY HA1 . 15685 2 900 . 2 2 80 80 GLY HA3 H 1 3.395 . . 2 . . . . 79 GLY HA2 . 15685 2 901 . 2 2 80 80 GLY C C 13 174.900 . . 1 . . . . 79 GLY C . 15685 2 902 . 2 2 80 80 GLY CA C 13 46.126 . . 1 . . . . 79 GLY CA . 15685 2 903 . 2 2 80 80 GLY N N 15 105.141 . . 1 . . . . 79 GLY N . 15685 2 904 . 2 2 81 81 ARG H H 1 7.033 . . 1 . . . . 80 ARG HN . 15685 2 905 . 2 2 81 81 ARG HA H 1 4.569 . . 1 . . . . 80 ARG HA . 15685 2 906 . 2 2 81 81 ARG HB2 H 1 2.005 . . 2 . . . . 80 ARG HB1 . 15685 2 907 . 2 2 81 81 ARG HB3 H 1 1.515 . . 2 . . . . 80 ARG HB2 . 15685 2 908 . 2 2 81 81 ARG HD2 H 1 3.230 . . 2 . . . . 80 ARG HD1 . 15685 2 909 . 2 2 81 81 ARG HD3 H 1 3.134 . . 2 . . . . 80 ARG HD2 . 15685 2 910 . 2 2 81 81 ARG HG2 H 1 1.460 . . 2 . . . . 80 ARG HG1 . 15685 2 911 . 2 2 81 81 ARG HG3 H 1 1.430 . . 2 . . . . 80 ARG HG2 . 15685 2 912 . 2 2 81 81 ARG C C 13 173.557 . . 1 . . . . 80 ARG C . 15685 2 913 . 2 2 81 81 ARG CA C 13 57.291 . . 1 . . . . 80 ARG CA . 15685 2 914 . 2 2 81 81 ARG CB C 13 30.594 . . 1 . . . . 80 ARG CB . 15685 2 915 . 2 2 81 81 ARG CD C 13 43.309 . . 1 . . . . 80 ARG CD . 15685 2 916 . 2 2 81 81 ARG CG C 13 28.461 . . 1 . . . . 80 ARG CG . 15685 2 917 . 2 2 81 81 ARG N N 15 124.810 . . 1 . . . . 80 ARG N . 15685 2 918 . 2 2 82 82 LEU H H 1 8.656 . . 1 . . . . 81 LEU HN . 15685 2 919 . 2 2 82 82 LEU HA H 1 5.117 . . 1 . . . . 81 LEU HA . 15685 2 920 . 2 2 82 82 LEU HB2 H 1 1.448 . . 2 . . . . 81 LEU HB1 . 15685 2 921 . 2 2 82 82 LEU HB3 H 1 1.116 . . 2 . . . . 81 LEU HB2 . 15685 2 922 . 2 2 82 82 LEU HD11 H 1 0.230 . . 2 . . . . 81 LEU HD11 . 15685 2 923 . 2 2 82 82 LEU HD12 H 1 0.230 . . 2 . . . . 81 LEU HD11 . 15685 2 924 . 2 2 82 82 LEU HD13 H 1 0.230 . . 2 . . . . 81 LEU HD11 . 15685 2 925 . 2 2 82 82 LEU HD21 H 1 0.575 . . 2 . . . . 81 LEU HD21 . 15685 2 926 . 2 2 82 82 LEU HD22 H 1 0.575 . . 2 . . . . 81 LEU HD21 . 15685 2 927 . 2 2 82 82 LEU HD23 H 1 0.575 . . 2 . . . . 81 LEU HD21 . 15685 2 928 . 2 2 82 82 LEU HG H 1 1.168 . . 1 . . . . 81 LEU HG . 15685 2 929 . 2 2 82 82 LEU C C 13 173.512 . . 1 . . . . 81 LEU C . 15685 2 930 . 2 2 82 82 LEU CA C 13 53.431 . . 1 . . . . 81 LEU CA . 15685 2 931 . 2 2 82 82 LEU CB C 13 46.567 . . 1 . . . . 81 LEU CB . 15685 2 932 . 2 2 82 82 LEU CD1 C 13 25.282 . . 1 . . . . 81 LEU CD1 . 15685 2 933 . 2 2 82 82 LEU CD2 C 13 24.685 . . 1 . . . . 81 LEU CD2 . 15685 2 934 . 2 2 82 82 LEU CG C 13 26.916 . . 1 . . . . 81 LEU CG . 15685 2 935 . 2 2 82 82 LEU N N 15 130.947 . . 1 . . . . 81 LEU N . 15685 2 936 . 2 2 83 83 ALA H H 1 8.615 . . 1 . . . . 82 ALA HN . 15685 2 937 . 2 2 83 83 ALA HA H 1 5.032 . . 1 . . . . 82 ALA HA . 15685 2 938 . 2 2 83 83 ALA HB1 H 1 0.999 . . 1 . . . . 82 ALA HB1 . 15685 2 939 . 2 2 83 83 ALA HB2 H 1 0.999 . . 1 . . . . 82 ALA HB1 . 15685 2 940 . 2 2 83 83 ALA HB3 H 1 0.999 . . 1 . . . . 82 ALA HB1 . 15685 2 941 . 2 2 83 83 ALA C C 13 175.004 . . 1 . . . . 82 ALA C . 15685 2 942 . 2 2 83 83 ALA CA C 13 50.298 . . 1 . . . . 82 ALA CA . 15685 2 943 . 2 2 83 83 ALA CB C 13 23.062 . . 1 . . . . 82 ALA CB . 15685 2 944 . 2 2 83 83 ALA N N 15 127.873 . . 1 . . . . 82 ALA N . 15685 2 945 . 2 2 84 84 VAL H H 1 8.172 . . 1 . . . . 83 VAL HN . 15685 2 946 . 2 2 84 84 VAL HA H 1 4.685 . . 1 . . . . 83 VAL HA . 15685 2 947 . 2 2 84 84 VAL HB H 1 0.138 . . 1 . . . . 83 VAL HB . 15685 2 948 . 2 2 84 84 VAL HG11 H 1 0.595 . . 2 . . . . 83 VAL HG11 . 15685 2 949 . 2 2 84 84 VAL HG12 H 1 0.595 . . 2 . . . . 83 VAL HG11 . 15685 2 950 . 2 2 84 84 VAL HG13 H 1 0.595 . . 2 . . . . 83 VAL HG11 . 15685 2 951 . 2 2 84 84 VAL HG21 H 1 0.465 . . 2 . . . . 83 VAL HG21 . 15685 2 952 . 2 2 84 84 VAL HG22 H 1 0.465 . . 2 . . . . 83 VAL HG21 . 15685 2 953 . 2 2 84 84 VAL HG23 H 1 0.465 . . 2 . . . . 83 VAL HG21 . 15685 2 954 . 2 2 84 84 VAL C C 13 173.855 . . 1 . . . . 83 VAL C . 15685 2 955 . 2 2 84 84 VAL CA C 13 60.942 . . 1 . . . . 83 VAL CA . 15685 2 956 . 2 2 84 84 VAL CB C 13 33.488 . . 1 . . . . 83 VAL CB . 15685 2 957 . 2 2 84 84 VAL CG1 C 13 20.950 . . 1 . . . . 83 VAL CG1 . 15685 2 958 . 2 2 84 84 VAL CG2 C 13 20.602 . . 1 . . . . 83 VAL CG2 . 15685 2 959 . 2 2 84 84 VAL N N 15 122.353 . . 1 . . . . 83 VAL N . 15685 2 960 . 2 2 85 85 VAL H H 1 9.205 . . 1 . . . . 84 VAL HN . 15685 2 961 . 2 2 85 85 VAL HA H 1 4.444 . . 1 . . . . 84 VAL HA . 15685 2 962 . 2 2 85 85 VAL HB H 1 2.065 . . 1 . . . . 84 VAL HB . 15685 2 963 . 2 2 85 85 VAL HG11 H 1 0.910 . . 2 . . . . 84 VAL HG11 . 15685 2 964 . 2 2 85 85 VAL HG12 H 1 0.910 . . 2 . . . . 84 VAL HG11 . 15685 2 965 . 2 2 85 85 VAL HG13 H 1 0.910 . . 2 . . . . 84 VAL HG11 . 15685 2 966 . 2 2 85 85 VAL HG21 H 1 0.685 . . 2 . . . . 84 VAL HG21 . 15685 2 967 . 2 2 85 85 VAL HG22 H 1 0.685 . . 2 . . . . 84 VAL HG21 . 15685 2 968 . 2 2 85 85 VAL HG23 H 1 0.685 . . 2 . . . . 84 VAL HG21 . 15685 2 969 . 2 2 85 85 VAL C C 13 174.124 . . 1 . . . . 84 VAL C . 15685 2 970 . 2 2 85 85 VAL CA C 13 60.250 . . 1 . . . . 84 VAL CA . 15685 2 971 . 2 2 85 85 VAL CB C 13 35.076 . . 1 . . . . 84 VAL CB . 15685 2 972 . 2 2 85 85 VAL CG1 C 13 22.126 . . 1 . . . . 84 VAL CG1 . 15685 2 973 . 2 2 85 85 VAL CG2 C 13 20.679 . . 1 . . . . 84 VAL CG2 . 15685 2 974 . 2 2 85 85 VAL N N 15 124.455 . . 1 . . . . 84 VAL N . 15685 2 975 . 2 2 86 86 LEU H H 1 9.514 . . 1 . . . . 85 LEU HN . 15685 2 976 . 2 2 86 86 LEU HA H 1 5.500 . . 1 . . . . 85 LEU HA . 15685 2 977 . 2 2 86 86 LEU HB2 H 1 2.056 . . 2 . . . . 85 LEU HB1 . 15685 2 978 . 2 2 86 86 LEU HB3 H 1 1.175 . . 2 . . . . 85 LEU HB2 . 15685 2 979 . 2 2 86 86 LEU HD11 H 1 0.860 . . 2 . . . . 85 LEU HD11 . 15685 2 980 . 2 2 86 86 LEU HD12 H 1 0.860 . . 2 . . . . 85 LEU HD11 . 15685 2 981 . 2 2 86 86 LEU HD13 H 1 0.860 . . 2 . . . . 85 LEU HD11 . 15685 2 982 . 2 2 86 86 LEU HD21 H 1 1.242 . . 2 . . . . 85 LEU HD21 . 15685 2 983 . 2 2 86 86 LEU HD22 H 1 1.242 . . 2 . . . . 85 LEU HD21 . 15685 2 984 . 2 2 86 86 LEU HD23 H 1 1.242 . . 2 . . . . 85 LEU HD21 . 15685 2 985 . 2 2 86 86 LEU HG H 1 1.676 . . 1 . . . . 85 LEU HG . 15685 2 986 . 2 2 86 86 LEU C C 13 173.706 . . 1 . . . . 85 LEU C . 15685 2 987 . 2 2 86 86 LEU CA C 13 53.655 . . 1 . . . . 85 LEU CA . 15685 2 988 . 2 2 86 86 LEU CB C 13 45.895 . . 1 . . . . 85 LEU CB . 15685 2 989 . 2 2 86 86 LEU CD1 C 13 27.442 . . 1 . . . . 85 LEU CD1 . 15685 2 990 . 2 2 86 86 LEU CD2 C 13 23.912 . . 1 . . . . 85 LEU CD2 . 15685 2 991 . 2 2 86 86 LEU CG C 13 27.764 . . 1 . . . . 85 LEU CG . 15685 2 992 . 2 2 86 86 LEU N N 15 127.728 . . 1 . . . . 85 LEU N . 15685 2 993 . 2 2 87 87 ASP H H 1 9.076 . . 1 . . . . 86 ASP HN . 15685 2 994 . 2 2 87 87 ASP HA H 1 5.880 . . 1 . . . . 86 ASP HA . 15685 2 995 . 2 2 87 87 ASP HB2 H 1 2.677 . . 2 . . . . 86 ASP HB1 . 15685 2 996 . 2 2 87 87 ASP HB3 H 1 2.600 . . 2 . . . . 86 ASP HB2 . 15685 2 997 . 2 2 87 87 ASP C C 13 175.541 . . 1 . . . . 86 ASP C . 15685 2 998 . 2 2 87 87 ASP CA C 13 53.581 . . 1 . . . . 86 ASP CA . 15685 2 999 . 2 2 87 87 ASP CB C 13 44.925 . . 1 . . . . 86 ASP CB . 15685 2 1000 . 2 2 87 87 ASP N N 15 128.589 . . 1 . . . . 86 ASP N . 15685 2 1001 . 2 2 88 88 TYR H H 1 8.892 . . 1 . . . . 87 TYR HN . 15685 2 1002 . 2 2 88 88 TYR HA H 1 5.270 . . 1 . . . . 87 TYR HA . 15685 2 1003 . 2 2 88 88 TYR HB2 H 1 3.190 . . 2 . . . . 87 TYR HB1 . 15685 2 1004 . 2 2 88 88 TYR HB3 H 1 2.785 . . 2 . . . . 87 TYR HB2 . 15685 2 1005 . 2 2 88 88 TYR HD1 H 1 6.755 . . 3 . . . . 87 TYR HD1 . 15685 2 1006 . 2 2 88 88 TYR HD2 H 1 6.755 . . 3 . . . . 87 TYR HD2 . 15685 2 1007 . 2 2 88 88 TYR HE1 H 1 6.840 . . 3 . . . . 87 TYR HE1 . 15685 2 1008 . 2 2 88 88 TYR HE2 H 1 6.840 . . 3 . . . . 87 TYR HE2 . 15685 2 1009 . 2 2 88 88 TYR C C 13 172.856 . . 1 . . . . 87 TYR C . 15685 2 1010 . 2 2 88 88 TYR CA C 13 55.669 . . 1 . . . . 87 TYR CA . 15685 2 1011 . 2 2 88 88 TYR CB C 13 39.926 . . 1 . . . . 87 TYR CB . 15685 2 1012 . 2 2 88 88 TYR CD1 C 13 133.540 . . 3 . . . . 87 TYR CD1 . 15685 2 1013 . 2 2 88 88 TYR CD2 C 13 133.540 . . 3 . . . . 87 TYR CD2 . 15685 2 1014 . 2 2 88 88 TYR CE1 C 13 117.040 . . 3 . . . . 87 TYR CE1 . 15685 2 1015 . 2 2 88 88 TYR CE2 C 13 117.040 . . 3 . . . . 87 TYR CE2 . 15685 2 1016 . 2 2 88 88 TYR N N 15 118.385 . . 1 . . . . 87 TYR N . 15685 2 1017 . 2 2 89 89 THR H H 1 8.205 . . 1 . . . . 88 THR HN . 15685 2 1018 . 2 2 89 89 THR HA H 1 4.380 . . 1 . . . . 88 THR HA . 15685 2 1019 . 2 2 89 89 THR HB H 1 3.965 . . 1 . . . . 88 THR HB . 15685 2 1020 . 2 2 89 89 THR HG21 H 1 1.268 . . 1 . . . . 88 THR HG21 . 15685 2 1021 . 2 2 89 89 THR HG22 H 1 1.268 . . 1 . . . . 88 THR HG21 . 15685 2 1022 . 2 2 89 89 THR HG23 H 1 1.268 . . 1 . . . . 88 THR HG21 . 15685 2 1023 . 2 2 89 89 THR C C 13 174.616 . . 1 . . . . 88 THR C . 15685 2 1024 . 2 2 89 89 THR CA C 13 63.237 . . 1 . . . . 88 THR CA . 15685 2 1025 . 2 2 89 89 THR CB C 13 69.400 . . 1 . . . . 88 THR CB . 15685 2 1026 . 2 2 89 89 THR CG2 C 13 21.908 . . 1 . . . . 88 THR CG2 . 15685 2 1027 . 2 2 89 89 THR N N 15 118.134 . . 1 . . . . 88 THR N . 15685 2 1028 . 2 2 90 90 ARG H H 1 8.808 . . 1 . . . . 89 ARG HN . 15685 2 1029 . 2 2 90 90 ARG HA H 1 5.142 . . 1 . . . . 89 ARG HA . 15685 2 1030 . 2 2 90 90 ARG HB2 H 1 2.164 . . 2 . . . . 89 ARG HB1 . 15685 2 1031 . 2 2 90 90 ARG HB3 H 1 1.752 . . 2 . . . . 89 ARG HB2 . 15685 2 1032 . 2 2 90 90 ARG HD2 H 1 3.140 . . 2 . . . . 89 ARG HD1 . 15685 2 1033 . 2 2 90 90 ARG HD3 H 1 2.835 . . 2 . . . . 89 ARG HD2 . 15685 2 1034 . 2 2 90 90 ARG HG2 H 1 1.970 . . 2 . . . . 89 ARG HG1 . 15685 2 1035 . 2 2 90 90 ARG HG3 H 1 1.380 . . 2 . . . . 89 ARG HG2 . 15685 2 1036 . 2 2 90 90 ARG C C 13 178.421 . . 1 . . . . 89 ARG C . 15685 2 1037 . 2 2 90 90 ARG CA C 13 55.521 . . 1 . . . . 89 ARG CA . 15685 2 1038 . 2 2 90 90 ARG CB C 13 33.882 . . 1 . . . . 89 ARG CB . 15685 2 1039 . 2 2 90 90 ARG CD C 13 44.109 . . 1 . . . . 89 ARG CD . 15685 2 1040 . 2 2 90 90 ARG CG C 13 28.111 . . 1 . . . . 89 ARG CG . 15685 2 1041 . 2 2 90 90 ARG N N 15 126.412 . . 1 . . . . 89 ARG N . 15685 2 1042 . 2 2 91 91 LEU H H 1 8.738 . . 1 . . . . 90 LEU HN . 15685 2 1043 . 2 2 91 91 LEU HA H 1 4.032 . . 1 . . . . 90 LEU HA . 15685 2 1044 . 2 2 91 91 LEU HB2 H 1 1.726 . . 2 . . . . 90 LEU HB1 . 15685 2 1045 . 2 2 91 91 LEU HB3 H 1 1.553 . . 2 . . . . 90 LEU HB2 . 15685 2 1046 . 2 2 91 91 LEU HD11 H 1 0.890 . . 2 . . . . 90 LEU HD11 . 15685 2 1047 . 2 2 91 91 LEU HD12 H 1 0.890 . . 2 . . . . 90 LEU HD11 . 15685 2 1048 . 2 2 91 91 LEU HD13 H 1 0.890 . . 2 . . . . 90 LEU HD11 . 15685 2 1049 . 2 2 91 91 LEU HD21 H 1 0.890 . . 2 . . . . 90 LEU HD21 . 15685 2 1050 . 2 2 91 91 LEU HD22 H 1 0.890 . . 2 . . . . 90 LEU HD21 . 15685 2 1051 . 2 2 91 91 LEU HD23 H 1 0.890 . . 2 . . . . 90 LEU HD21 . 15685 2 1052 . 2 2 91 91 LEU HG H 1 1.525 . . 1 . . . . 90 LEU HG . 15685 2 1053 . 2 2 91 91 LEU C C 13 177.198 . . 1 . . . . 90 LEU C . 15685 2 1054 . 2 2 91 91 LEU CA C 13 57.312 . . 1 . . . . 90 LEU CA . 15685 2 1055 . 2 2 91 91 LEU CB C 13 42.090 . . 1 . . . . 90 LEU CB . 15685 2 1056 . 2 2 91 91 LEU CD1 C 13 25.029 . . 1 . . . . 90 LEU CD1 . 15685 2 1057 . 2 2 91 91 LEU CD2 C 13 23.235 . . 1 . . . . 90 LEU CD2 . 15685 2 1058 . 2 2 91 91 LEU CG C 13 26.890 . . 1 . . . . 90 LEU CG . 15685 2 1059 . 2 2 91 91 LEU N N 15 121.568 . . 1 . . . . 90 LEU N . 15685 2 1060 . 2 2 92 92 ASN H H 1 8.119 . . 1 . . . . 91 ASN HN . 15685 2 1061 . 2 2 92 92 ASN HA H 1 4.532 . . 1 . . . . 91 ASN HA . 15685 2 1062 . 2 2 92 92 ASN HB2 H 1 3.083 . . 2 . . . . 91 ASN HB1 . 15685 2 1063 . 2 2 92 92 ASN HB3 H 1 2.859 . . 2 . . . . 91 ASN HB2 . 15685 2 1064 . 2 2 92 92 ASN C C 13 175.198 . . 1 . . . . 91 ASN C . 15685 2 1065 . 2 2 92 92 ASN CA C 13 53.402 . . 1 . . . . 91 ASN CA . 15685 2 1066 . 2 2 92 92 ASN CB C 13 37.332 . . 1 . . . . 91 ASN CB . 15685 2 1067 . 2 2 92 92 ASN N N 15 115.603 . . 1 . . . . 91 ASN N . 15685 2 1068 . 2 2 93 93 ALA H H 1 8.006 . . 1 . . . . 92 ALA HN . 15685 2 1069 . 2 2 93 93 ALA HA H 1 3.952 . . 1 . . . . 92 ALA HA . 15685 2 1070 . 2 2 93 93 ALA HB1 H 1 1.492 . . 1 . . . . 92 ALA HB1 . 15685 2 1071 . 2 2 93 93 ALA HB2 H 1 1.492 . . 1 . . . . 92 ALA HB1 . 15685 2 1072 . 2 2 93 93 ALA HB3 H 1 1.492 . . 1 . . . . 92 ALA HB1 . 15685 2 1073 . 2 2 93 93 ALA C C 13 175.959 . . 1 . . . . 92 ALA C . 15685 2 1074 . 2 2 93 93 ALA CA C 13 53.925 . . 1 . . . . 92 ALA CA . 15685 2 1075 . 2 2 93 93 ALA CB C 13 17.681 . . 1 . . . . 92 ALA CB . 15685 2 1076 . 2 2 93 93 ALA N N 15 116.706 . . 1 . . . . 92 ALA N . 15685 2 1077 . 2 2 94 94 ALA H H 1 7.395 . . 1 . . . . 93 ALA HN . 15685 2 1078 . 2 2 94 94 ALA HA H 1 4.470 . . 1 . . . . 93 ALA HA . 15685 2 1079 . 2 2 94 94 ALA HB1 H 1 1.395 . . 1 . . . . 93 ALA HB1 . 15685 2 1080 . 2 2 94 94 ALA HB2 H 1 1.395 . . 1 . . . . 93 ALA HB1 . 15685 2 1081 . 2 2 94 94 ALA HB3 H 1 1.395 . . 1 . . . . 93 ALA HB1 . 15685 2 1082 . 2 2 94 94 ALA C C 13 175.392 . . 1 . . . . 93 ALA C . 15685 2 1083 . 2 2 94 94 ALA CA C 13 51.553 . . 1 . . . . 93 ALA CA . 15685 2 1084 . 2 2 94 94 ALA CB C 13 20.284 . . 1 . . . . 93 ALA CB . 15685 2 1085 . 2 2 94 94 ALA N N 15 121.144 . . 1 . . . . 93 ALA N . 15685 2 1086 . 2 2 95 95 LEU H H 1 8.079 . . 1 . . . . 94 LEU HN . 15685 2 1087 . 2 2 95 95 LEU HA H 1 4.745 . . 1 . . . . 94 LEU HA . 15685 2 1088 . 2 2 95 95 LEU HB2 H 1 1.430 . . 2 . . . . 94 LEU HB1 . 15685 2 1089 . 2 2 95 95 LEU HB3 H 1 1.375 . . 2 . . . . 94 LEU HB2 . 15685 2 1090 . 2 2 95 95 LEU HD11 H 1 0.750 . . 2 . . . . 94 LEU HD11 . 15685 2 1091 . 2 2 95 95 LEU HD12 H 1 0.750 . . 2 . . . . 94 LEU HD11 . 15685 2 1092 . 2 2 95 95 LEU HD13 H 1 0.750 . . 2 . . . . 94 LEU HD11 . 15685 2 1093 . 2 2 95 95 LEU HD21 H 1 0.750 . . 2 . . . . 94 LEU HD21 . 15685 2 1094 . 2 2 95 95 LEU HD22 H 1 0.750 . . 2 . . . . 94 LEU HD21 . 15685 2 1095 . 2 2 95 95 LEU HD23 H 1 0.750 . . 2 . . . . 94 LEU HD21 . 15685 2 1096 . 2 2 95 95 LEU HG H 1 1.531 . . 1 . . . . 94 LEU HG . 15685 2 1097 . 2 2 95 95 LEU C C 13 177.332 . . 1 . . . . 94 LEU C . 15685 2 1098 . 2 2 95 95 LEU CA C 13 54.411 . . 1 . . . . 94 LEU CA . 15685 2 1099 . 2 2 95 95 LEU CB C 13 44.194 . . 1 . . . . 94 LEU CB . 15685 2 1100 . 2 2 95 95 LEU CD1 C 13 25.232 . . 1 . . . . 94 LEU CD1 . 15685 2 1101 . 2 2 95 95 LEU CD2 C 13 24.582 . . 1 . . . . 94 LEU CD2 . 15685 2 1102 . 2 2 95 95 LEU CG C 13 27.030 . . 1 . . . . 94 LEU CG . 15685 2 1103 . 2 2 95 95 LEU N N 15 119.494 . . 1 . . . . 94 LEU N . 15685 2 1104 . 2 2 96 96 GLY H H 1 8.741 . . 1 . . . . 95 GLY HN . 15685 2 1105 . 2 2 96 96 GLY HA2 H 1 4.410 . . 2 . . . . 95 GLY HA1 . 15685 2 1106 . 2 2 96 96 GLY HA3 H 1 2.500 . . 2 . . . . 95 GLY HA2 . 15685 2 1107 . 2 2 96 96 GLY C C 13 172.662 . . 1 . . . . 95 GLY C . 15685 2 1108 . 2 2 96 96 GLY CA C 13 43.358 . . 1 . . . . 95 GLY CA . 15685 2 1109 . 2 2 96 96 GLY N N 15 110.844 . . 1 . . . . 95 GLY N . 15685 2 1110 . 2 2 97 97 SER H H 1 8.234 . . 1 . . . . 96 SER HN . 15685 2 1111 . 2 2 97 97 SER HA H 1 5.605 . . 1 . . . . 96 SER HA . 15685 2 1112 . 2 2 97 97 SER HB2 H 1 3.730 . . 2 . . . . 96 SER HB1 . 15685 2 1113 . 2 2 97 97 SER HB3 H 1 3.585 . . 2 . . . . 96 SER HB2 . 15685 2 1114 . 2 2 97 97 SER C C 13 173.318 . . 1 . . . . 96 SER C . 15685 2 1115 . 2 2 97 97 SER CA C 13 58.619 . . 1 . . . . 96 SER CA . 15685 2 1116 . 2 2 97 97 SER CB C 13 65.957 . . 1 . . . . 96 SER CB . 15685 2 1117 . 2 2 97 97 SER N N 15 116.900 . . 1 . . . . 96 SER N . 15685 2 1118 . 2 2 98 98 ALA H H 1 9.268 . . 1 . . . . 97 ALA HN . 15685 2 1119 . 2 2 98 98 ALA HA H 1 5.180 . . 1 . . . . 97 ALA HA . 15685 2 1120 . 2 2 98 98 ALA HB1 H 1 1.615 . . 1 . . . . 97 ALA HB1 . 15685 2 1121 . 2 2 98 98 ALA HB2 H 1 1.615 . . 1 . . . . 97 ALA HB1 . 15685 2 1122 . 2 2 98 98 ALA HB3 H 1 1.615 . . 1 . . . . 97 ALA HB1 . 15685 2 1123 . 2 2 98 98 ALA C C 13 174.169 . . 1 . . . . 97 ALA C . 15685 2 1124 . 2 2 98 98 ALA CA C 13 50.894 . . 1 . . . . 97 ALA CA . 15685 2 1125 . 2 2 98 98 ALA CB C 13 23.361 . . 1 . . . . 97 ALA CB . 15685 2 1126 . 2 2 98 98 ALA N N 15 131.400 . . 1 . . . . 97 ALA N . 15685 2 1127 . 2 2 99 99 ALA H H 1 9.134 . . 1 . . . . 98 ALA HN . 15685 2 1128 . 2 2 99 99 ALA HA H 1 5.405 . . 1 . . . . 98 ALA HA . 15685 2 1129 . 2 2 99 99 ALA HB1 H 1 1.432 . . 1 . . . . 98 ALA HB1 . 15685 2 1130 . 2 2 99 99 ALA HB2 H 1 1.432 . . 1 . . . . 98 ALA HB1 . 15685 2 1131 . 2 2 99 99 ALA HB3 H 1 1.432 . . 1 . . . . 98 ALA HB1 . 15685 2 1132 . 2 2 99 99 ALA C C 13 174.751 . . 1 . . . . 98 ALA C . 15685 2 1133 . 2 2 99 99 ALA CA C 13 50.894 . . 1 . . . . 98 ALA CA . 15685 2 1134 . 2 2 99 99 ALA CB C 13 26.868 . . 1 . . . . 98 ALA CB . 15685 2 1135 . 2 2 99 99 ALA N N 15 118.464 . . 1 . . . . 98 ALA N . 15685 2 1136 . 2 2 100 100 TYR H H 1 8.828 . . 1 . . . . 99 TYR HN . 15685 2 1137 . 2 2 100 100 TYR HA H 1 5.290 . . 1 . . . . 99 TYR HA . 15685 2 1138 . 2 2 100 100 TYR HB2 H 1 2.645 . . 2 . . . . 99 TYR HB1 . 15685 2 1139 . 2 2 100 100 TYR HB3 H 1 2.423 . . 2 . . . . 99 TYR HB2 . 15685 2 1140 . 2 2 100 100 TYR HD1 H 1 5.980 . . 3 . . . . 99 TYR HD1 . 15685 2 1141 . 2 2 100 100 TYR HD2 H 1 5.980 . . 3 . . . . 99 TYR HD2 . 15685 2 1142 . 2 2 100 100 TYR HE1 H 1 6.010 . . 3 . . . . 99 TYR HE1 . 15685 2 1143 . 2 2 100 100 TYR HE2 H 1 6.010 . . 3 . . . . 99 TYR HE2 . 15685 2 1144 . 2 2 100 100 TYR C C 13 171.572 . . 1 . . . . 99 TYR C . 15685 2 1145 . 2 2 100 100 TYR CA C 13 55.372 . . 1 . . . . 99 TYR CA . 15685 2 1146 . 2 2 100 100 TYR CB C 13 42.836 . . 1 . . . . 99 TYR CB . 15685 2 1147 . 2 2 100 100 TYR CD1 C 13 131.940 . . 3 . . . . 99 TYR CD1 . 15685 2 1148 . 2 2 100 100 TYR CD2 C 13 131.940 . . 3 . . . . 99 TYR CD2 . 15685 2 1149 . 2 2 100 100 TYR CE1 C 13 116.440 . . 3 . . . . 99 TYR CE1 . 15685 2 1150 . 2 2 100 100 TYR CE2 C 13 116.440 . . 3 . . . . 99 TYR CE2 . 15685 2 1151 . 2 2 100 100 TYR N N 15 115.177 . . 1 . . . . 99 TYR N . 15685 2 1152 . 2 2 101 101 VAL H H 1 8.234 . . 1 . . . . 100 VAL HN . 15685 2 1153 . 2 2 101 101 VAL HA H 1 4.685 . . 1 . . . . 100 VAL HA . 15685 2 1154 . 2 2 101 101 VAL HB H 1 0.920 . . 1 . . . . 100 VAL HB . 15685 2 1155 . 2 2 101 101 VAL HG11 H 1 0.665 . . 2 . . . . 100 VAL HG11 . 15685 2 1156 . 2 2 101 101 VAL HG12 H 1 0.665 . . 2 . . . . 100 VAL HG11 . 15685 2 1157 . 2 2 101 101 VAL HG13 H 1 0.665 . . 2 . . . . 100 VAL HG11 . 15685 2 1158 . 2 2 101 101 VAL HG21 H 1 0.700 . . 2 . . . . 100 VAL HG21 . 15685 2 1159 . 2 2 101 101 VAL HG22 H 1 0.700 . . 2 . . . . 100 VAL HG21 . 15685 2 1160 . 2 2 101 101 VAL HG23 H 1 0.700 . . 2 . . . . 100 VAL HG21 . 15685 2 1161 . 2 2 101 101 VAL C C 13 176.228 . . 1 . . . . 100 VAL C . 15685 2 1162 . 2 2 101 101 VAL CA C 13 60.072 . . 1 . . . . 100 VAL CA . 15685 2 1163 . 2 2 101 101 VAL CB C 13 35.971 . . 1 . . . . 100 VAL CB . 15685 2 1164 . 2 2 101 101 VAL CG1 C 13 22.466 . . 1 . . . . 100 VAL CG1 . 15685 2 1165 . 2 2 101 101 VAL CG2 C 13 20.531 . . 1 . . . . 100 VAL CG2 . 15685 2 1166 . 2 2 101 101 VAL N N 15 117.853 . . 1 . . . . 100 VAL N . 15685 2 1167 . 2 2 102 102 VAL H H 1 9.391 . . 1 . . . . 101 VAL HN . 15685 2 1168 . 2 2 102 102 VAL HA H 1 4.200 . . 1 . . . . 101 VAL HA . 15685 2 1169 . 2 2 102 102 VAL HB H 1 2.070 . . 1 . . . . 101 VAL HB . 15685 2 1170 . 2 2 102 102 VAL HG11 H 1 1.000 . . 2 . . . . 101 VAL HG11 . 15685 2 1171 . 2 2 102 102 VAL HG12 H 1 1.000 . . 2 . . . . 101 VAL HG11 . 15685 2 1172 . 2 2 102 102 VAL HG13 H 1 1.000 . . 2 . . . . 101 VAL HG11 . 15685 2 1173 . 2 2 102 102 VAL HG21 H 1 0.920 . . 2 . . . . 101 VAL HG21 . 15685 2 1174 . 2 2 102 102 VAL HG22 H 1 0.920 . . 2 . . . . 101 VAL HG21 . 15685 2 1175 . 2 2 102 102 VAL HG23 H 1 0.920 . . 2 . . . . 101 VAL HG21 . 15685 2 1176 . 2 2 102 102 VAL C C 13 175.332 . . 1 . . . . 101 VAL C . 15685 2 1177 . 2 2 102 102 VAL CA C 13 61.117 . . 1 . . . . 101 VAL CA . 15685 2 1178 . 2 2 102 102 VAL CB C 13 32.986 . . 1 . . . . 101 VAL CB . 15685 2 1179 . 2 2 102 102 VAL CG1 C 13 21.679 . . 1 . . . . 101 VAL CG1 . 15685 2 1180 . 2 2 102 102 VAL CG2 C 13 20.354 . . 1 . . . . 101 VAL CG2 . 15685 2 1181 . 2 2 102 102 VAL N N 15 128.858 . . 1 . . . . 101 VAL N . 15685 2 1182 . 2 2 103 103 GLU H H 1 8.612 . . 1 . . . . 102 GLU HN . 15685 2 1183 . 2 2 103 103 GLU HA H 1 4.260 . . 1 . . . . 102 GLU HA . 15685 2 1184 . 2 2 103 103 GLU HB2 H 1 2.011 . . 2 . . . . 102 GLU HB1 . 15685 2 1185 . 2 2 103 103 GLU HB3 H 1 1.995 . . 2 . . . . 102 GLU HB2 . 15685 2 1186 . 2 2 103 103 GLU HG2 H 1 2.390 . . 2 . . . . 102 GLU HG1 . 15685 2 1187 . 2 2 103 103 GLU HG3 H 1 2.280 . . 2 . . . . 102 GLU HG2 . 15685 2 1188 . 2 2 103 103 GLU C C 13 176.272 . . 1 . . . . 102 GLU C . 15685 2 1189 . 2 2 103 103 GLU CA C 13 58.505 . . 1 . . . . 102 GLU CA . 15685 2 1190 . 2 2 103 103 GLU CB C 13 30.076 . . 1 . . . . 102 GLU CB . 15685 2 1191 . 2 2 103 103 GLU CG C 13 35.924 . . 1 . . . . 102 GLU CG . 15685 2 1192 . 2 2 103 103 GLU N N 15 125.118 . . 1 . . . . 102 GLU N . 15685 2 1193 . 2 2 104 104 ASP H H 1 8.648 . . 1 . . . . 103 ASP HN . 15685 2 1194 . 2 2 104 104 ASP HA H 1 4.715 . . 1 . . . . 103 ASP HA . 15685 2 1195 . 2 2 104 104 ASP HB2 H 1 2.834 . . 2 . . . . 103 ASP HB1 . 15685 2 1196 . 2 2 104 104 ASP HB3 H 1 2.510 . . 2 . . . . 103 ASP HB2 . 15685 2 1197 . 2 2 104 104 ASP C C 13 176.183 . . 1 . . . . 103 ASP C . 15685 2 1198 . 2 2 104 104 ASP CA C 13 53.208 . . 1 . . . . 103 ASP CA . 15685 2 1199 . 2 2 104 104 ASP CB C 13 40.523 . . 1 . . . . 103 ASP CB . 15685 2 1200 . 2 2 104 104 ASP N N 15 117.895 . . 1 . . . . 103 ASP N . 15685 2 1201 . 2 2 105 105 SER H H 1 7.640 . . 1 . . . . 104 SER HN . 15685 2 1202 . 2 2 105 105 SER HA H 1 4.075 . . 1 . . . . 104 SER HA . 15685 2 1203 . 2 2 105 105 SER HB2 H 1 4.070 . . 2 . . . . 104 SER HB1 . 15685 2 1204 . 2 2 105 105 SER HB3 H 1 3.792 . . 2 . . . . 104 SER HB2 . 15685 2 1205 . 2 2 105 105 SER C C 13 174.989 . . 1 . . . . 104 SER C . 15685 2 1206 . 2 2 105 105 SER CA C 13 60.893 . . 1 . . . . 104 SER CA . 15685 2 1207 . 2 2 105 105 SER CB C 13 64.983 . . 1 . . . . 104 SER CB . 15685 2 1208 . 2 2 105 105 SER N N 15 114.947 . . 1 . . . . 104 SER N . 15685 2 1209 . 2 2 106 106 GLY H H 1 8.599 . . 1 . . . . 105 GLY HN . 15685 2 1210 . 2 2 106 106 GLY HA2 H 1 4.231 . . 2 . . . . 105 GLY HA1 . 15685 2 1211 . 2 2 106 106 GLY HA3 H 1 3.770 . . 2 . . . . 105 GLY HA2 . 15685 2 1212 . 2 2 106 106 GLY C C 13 175.258 . . 1 . . . . 105 GLY C . 15685 2 1213 . 2 2 106 106 GLY CA C 13 45.522 . . 1 . . . . 105 GLY CA . 15685 2 1214 . 2 2 106 106 GLY N N 15 108.870 . . 1 . . . . 105 GLY N . 15685 2 1215 . 2 2 107 107 CYS H H 1 8.513 . . 1 . . . . 106 CYS HN . 15685 2 1216 . 2 2 107 107 CYS HA H 1 4.482 . . 1 . . . . 106 CYS HA . 15685 2 1217 . 2 2 107 107 CYS HB2 H 1 3.100 . . 2 . . . . 106 CYS HB1 . 15685 2 1218 . 2 2 107 107 CYS HB3 H 1 2.600 . . 2 . . . . 106 CYS HB2 . 15685 2 1219 . 2 2 107 107 CYS C C 13 174.124 . . 1 . . . . 106 CYS C . 15685 2 1220 . 2 2 107 107 CYS CA C 13 55.297 . . 1 . . . . 106 CYS CA . 15685 2 1221 . 2 2 107 107 CYS CB C 13 41.791 . . 1 . . . . 106 CYS CB . 15685 2 1222 . 2 2 107 107 CYS N N 15 120.013 . . 1 . . . . 106 CYS N . 15685 2 1223 . 2 2 108 108 SER H H 1 10.109 . . 1 . . . . 107 SER HN . 15685 2 1224 . 2 2 108 108 SER HA H 1 4.575 . . 1 . . . . 107 SER HA . 15685 2 1225 . 2 2 108 108 SER HB2 H 1 4.160 . . 2 . . . . 107 SER HB1 . 15685 2 1226 . 2 2 108 108 SER HB3 H 1 4.055 . . 2 . . . . 107 SER HB2 . 15685 2 1227 . 2 2 108 108 SER C C 13 172.363 . . 1 . . . . 107 SER C . 15685 2 1228 . 2 2 108 108 SER CA C 13 58.058 . . 1 . . . . 107 SER CA . 15685 2 1229 . 2 2 108 108 SER CB C 13 64.400 . . 1 . . . . 107 SER CB . 15685 2 1230 . 2 2 108 108 SER N N 15 122.042 . . 1 . . . . 107 SER N . 15685 2 1231 . 2 2 109 109 SER H H 1 7.924 . . 1 . . . . 108 SER HN . 15685 2 1232 . 2 2 109 109 SER HA H 1 4.270 . . 1 . . . . 108 SER HA . 15685 2 1233 . 2 2 109 109 SER HB2 H 1 4.035 . . 2 . . . . 108 SER HB1 . 15685 2 1234 . 2 2 109 109 SER HB3 H 1 3.970 . . 2 . . . . 108 SER HB2 . 15685 2 1235 . 2 2 109 109 SER C C 13 174.437 . . 1 . . . . 108 SER C . 15685 2 1236 . 2 2 109 109 SER CA C 13 60.136 . . 1 . . . . 108 SER CA . 15685 2 1237 . 2 2 109 109 SER CB C 13 63.468 . . 1 . . . . 108 SER CB . 15685 2 1238 . 2 2 109 109 SER N N 15 110.146 . . 1 . . . . 108 SER N . 15685 2 1239 . 2 2 110 110 SER H H 1 7.612 . . 1 . . . . 109 SER HN . 15685 2 1240 . 2 2 110 110 SER HA H 1 5.021 . . 1 . . . . 109 SER HA . 15685 2 1241 . 2 2 110 110 SER HB2 H 1 3.630 . . 2 . . . . 109 SER HB1 . 15685 2 1242 . 2 2 110 110 SER HB3 H 1 3.610 . . 2 . . . . 109 SER HB2 . 15685 2 1243 . 2 2 110 110 SER C C 13 173.557 . . 1 . . . . 109 SER C . 15685 2 1244 . 2 2 110 110 SER CA C 13 58.054 . . 1 . . . . 109 SER CA . 15685 2 1245 . 2 2 110 110 SER CB C 13 64.135 . . 1 . . . . 109 SER CB . 15685 2 1246 . 2 2 110 110 SER N N 15 115.830 . . 1 . . . . 109 SER N . 15685 2 1247 . 2 2 111 111 GLU H H 1 8.939 . . 1 . . . . 110 GLU HN . 15685 2 1248 . 2 2 111 111 GLU HA H 1 4.815 . . 1 . . . . 110 GLU HA . 15685 2 1249 . 2 2 111 111 GLU HB2 H 1 2.080 . . 2 . . . . 110 GLU HB1 . 15685 2 1250 . 2 2 111 111 GLU HB3 H 1 2.020 . . 2 . . . . 110 GLU HB2 . 15685 2 1251 . 2 2 111 111 GLU HG2 H 1 1.220 . . 2 . . . . 110 GLU HG1 . 15685 2 1252 . 2 2 111 111 GLU HG3 H 1 1.210 . . 2 . . . . 110 GLU HG2 . 15685 2 1253 . 2 2 111 111 GLU C C 13 175.601 . . 1 . . . . 110 GLU C . 15685 2 1254 . 2 2 111 111 GLU CA C 13 53.879 . . 1 . . . . 110 GLU CA . 15685 2 1255 . 2 2 111 111 GLU CB C 13 34.553 . . 1 . . . . 110 GLU CB . 15685 2 1256 . 2 2 111 111 GLU CG C 13 34.553 . . 1 . . . . 110 GLU CG . 15685 2 1257 . 2 2 111 111 GLU N N 15 123.533 . . 1 . . . . 110 GLU N . 15685 2 1258 . 2 2 112 112 GLU H H 1 8.932 . . 1 . . . . 111 GLU HN . 15685 2 1259 . 2 2 112 112 GLU HA H 1 4.600 . . 1 . . . . 111 GLU HA . 15685 2 1260 . 2 2 112 112 GLU HB2 H 1 2.000 . . 2 . . . . 111 GLU HB1 . 15685 2 1261 . 2 2 112 112 GLU HB3 H 1 1.965 . . 2 . . . . 111 GLU HB2 . 15685 2 1262 . 2 2 112 112 GLU HG2 H 1 2.145 . . 2 . . . . 111 GLU HG1 . 15685 2 1263 . 2 2 112 112 GLU HG3 H 1 2.005 . . 2 . . . . 111 GLU HG2 . 15685 2 1264 . 2 2 112 112 GLU C C 13 175.720 . . 1 . . . . 111 GLU C . 15685 2 1265 . 2 2 112 112 GLU CA C 13 56.118 . . 1 . . . . 111 GLU CA . 15685 2 1266 . 2 2 112 112 GLU CB C 13 30.822 . . 1 . . . . 111 GLU CB . 15685 2 1267 . 2 2 112 112 GLU CG C 13 37.291 . . 1 . . . . 111 GLU CG . 15685 2 1268 . 2 2 112 112 GLU N N 15 121.797 . . 1 . . . . 111 GLU N . 15685 2 1269 . 2 2 113 113 VAL H H 1 9.525 . . 1 . . . . 112 VAL HN . 15685 2 1270 . 2 2 113 113 VAL HA H 1 4.905 . . 1 . . . . 112 VAL HA . 15685 2 1271 . 2 2 113 113 VAL HB H 1 1.865 . . 1 . . . . 112 VAL HB . 15685 2 1272 . 2 2 113 113 VAL HG11 H 1 0.877 . . 2 . . . . 112 VAL HG11 . 15685 2 1273 . 2 2 113 113 VAL HG12 H 1 0.877 . . 2 . . . . 112 VAL HG11 . 15685 2 1274 . 2 2 113 113 VAL HG13 H 1 0.877 . . 2 . . . . 112 VAL HG11 . 15685 2 1275 . 2 2 113 113 VAL HG21 H 1 0.142 . . 2 . . . . 112 VAL HG21 . 15685 2 1276 . 2 2 113 113 VAL HG22 H 1 0.142 . . 2 . . . . 112 VAL HG21 . 15685 2 1277 . 2 2 113 113 VAL HG23 H 1 0.142 . . 2 . . . . 112 VAL HG21 . 15685 2 1278 . 2 2 113 113 VAL C C 13 174.736 . . 1 . . . . 112 VAL C . 15685 2 1279 . 2 2 113 113 VAL CA C 13 61.117 . . 1 . . . . 112 VAL CA . 15685 2 1280 . 2 2 113 113 VAL CB C 13 32.539 . . 1 . . . . 112 VAL CB . 15685 2 1281 . 2 2 113 113 VAL CG1 C 13 23.530 . . 1 . . . . 112 VAL CG1 . 15685 2 1282 . 2 2 113 113 VAL CG2 C 13 23.070 . . 1 . . . . 112 VAL CG2 . 15685 2 1283 . 2 2 113 113 VAL N N 15 130.816 . . 1 . . . . 112 VAL N . 15685 2 1284 . 2 2 114 114 SER H H 1 8.980 . . 1 . . . . 113 SER HN . 15685 2 1285 . 2 2 114 114 SER HA H 1 5.095 . . 1 . . . . 113 SER HA . 15685 2 1286 . 2 2 114 114 SER HB2 H 1 3.830 . . 2 . . . . 113 SER HB1 . 15685 2 1287 . 2 2 114 114 SER HB3 H 1 3.830 . . 2 . . . . 113 SER HB2 . 15685 2 1288 . 2 2 114 114 SER C C 13 173.124 . . 1 . . . . 113 SER C . 15685 2 1289 . 2 2 114 114 SER CA C 13 57.088 . . 1 . . . . 113 SER CA . 15685 2 1290 . 2 2 114 114 SER CB C 13 64.997 . . 1 . . . . 113 SER CB . 15685 2 1291 . 2 2 114 114 SER N N 15 120.580 . . 1 . . . . 113 SER N . 15685 2 1292 . 2 2 115 115 PHE H H 1 8.889 . . 1 . . . . 114 PHE HN . 15685 2 1293 . 2 2 115 115 PHE HA H 1 5.109 . . 1 . . . . 114 PHE HA . 15685 2 1294 . 2 2 115 115 PHE HB2 H 1 2.785 . . 2 . . . . 114 PHE HB1 . 15685 2 1295 . 2 2 115 115 PHE HB3 H 1 2.540 . . 2 . . . . 114 PHE HB2 . 15685 2 1296 . 2 2 115 115 PHE HD1 H 1 6.950 . . 3 . . . . 114 PHE HD1 . 15685 2 1297 . 2 2 115 115 PHE HD2 H 1 6.950 . . 3 . . . . 114 PHE HD2 . 15685 2 1298 . 2 2 115 115 PHE HE1 H 1 6.950 . . 3 . . . . 114 PHE HE1 . 15685 2 1299 . 2 2 115 115 PHE HE2 H 1 6.950 . . 3 . . . . 114 PHE HE2 . 15685 2 1300 . 2 2 115 115 PHE C C 13 175.183 . . 1 . . . . 114 PHE C . 15685 2 1301 . 2 2 115 115 PHE CA C 13 56.416 . . 1 . . . . 114 PHE CA . 15685 2 1302 . 2 2 115 115 PHE CB C 13 42.164 . . 1 . . . . 114 PHE CB . 15685 2 1303 . 2 2 115 115 PHE CD1 C 13 132.240 . . 3 . . . . 114 PHE CD1 . 15685 2 1304 . 2 2 115 115 PHE CD2 C 13 132.240 . . 3 . . . . 114 PHE CD2 . 15685 2 1305 . 2 2 115 115 PHE CE1 C 13 129.510 . . 3 . . . . 114 PHE CE1 . 15685 2 1306 . 2 2 115 115 PHE CE2 C 13 129.510 . . 3 . . . . 114 PHE CE2 . 15685 2 1307 . 2 2 115 115 PHE N N 15 122.107 . . 1 . . . . 114 PHE N . 15685 2 1308 . 2 2 116 116 GLN H H 1 9.145 . . 1 . . . . 115 GLN HN . 15685 2 1309 . 2 2 116 116 GLN HA H 1 4.869 . . 1 . . . . 115 GLN HA . 15685 2 1310 . 2 2 116 116 GLN HB2 H 1 2.201 . . 2 . . . . 115 GLN HB1 . 15685 2 1311 . 2 2 116 116 GLN HB3 H 1 2.070 . . 2 . . . . 115 GLN HB2 . 15685 2 1312 . 2 2 116 116 GLN HE21 H 1 2.380 . . 2 . . . . 115 GLN HE21 . 15685 2 1313 . 2 2 116 116 GLN HE22 H 1 2.365 . . 2 . . . . 115 GLN HE22 . 15685 2 1314 . 2 2 116 116 GLN HG2 H 1 2.375 . . 2 . . . . 115 GLN HG1 . 15685 2 1315 . 2 2 116 116 GLN HG3 H 1 2.368 . . 2 . . . . 115 GLN HG2 . 15685 2 1316 . 2 2 116 116 GLN C C 13 174.258 . . 1 . . . . 115 GLN C . 15685 2 1317 . 2 2 116 116 GLN CA C 13 55.520 . . 1 . . . . 115 GLN CA . 15685 2 1318 . 2 2 116 116 GLN CB C 13 32.016 . . 1 . . . . 115 GLN CB . 15685 2 1319 . 2 2 116 116 GLN CG C 13 34.124 . . 1 . . . . 115 GLN CG . 15685 2 1320 . 2 2 116 116 GLN N N 15 122.069 . . 1 . . . . 115 GLN N . 15685 2 1321 . 2 2 117 117 GLY H H 1 8.521 . . 1 . . . . 116 GLY HN . 15685 2 1322 . 2 2 117 117 GLY HA2 H 1 4.760 . . 2 . . . . 116 GLY HA1 . 15685 2 1323 . 2 2 117 117 GLY HA3 H 1 4.200 . . 2 . . . . 116 GLY HA2 . 15685 2 1324 . 2 2 117 117 GLY C C 13 175.019 . . 1 . . . . 116 GLY C . 15685 2 1325 . 2 2 117 117 GLY CA C 13 46.268 . . 1 . . . . 116 GLY CA . 15685 2 1326 . 2 2 117 117 GLY N N 15 114.558 . . 1 . . . . 116 GLY N . 15685 2 1327 . 2 2 118 118 VAL H H 1 7.623 . . 1 . . . . 117 VAL HN . 15685 2 1328 . 2 2 118 118 VAL HA H 1 3.781 . . 1 . . . . 117 VAL HA . 15685 2 1329 . 2 2 118 118 VAL HB H 1 2.051 . . 1 . . . . 117 VAL HB . 15685 2 1330 . 2 2 118 118 VAL HG11 H 1 0.607 . . 2 . . . . 117 VAL HG11 . 15685 2 1331 . 2 2 118 118 VAL HG12 H 1 0.607 . . 2 . . . . 117 VAL HG11 . 15685 2 1332 . 2 2 118 118 VAL HG13 H 1 0.607 . . 2 . . . . 117 VAL HG11 . 15685 2 1333 . 2 2 118 118 VAL HG21 H 1 0.782 . . 2 . . . . 117 VAL HG21 . 15685 2 1334 . 2 2 118 118 VAL HG22 H 1 0.782 . . 2 . . . . 117 VAL HG21 . 15685 2 1335 . 2 2 118 118 VAL HG23 H 1 0.782 . . 2 . . . . 117 VAL HG21 . 15685 2 1336 . 2 2 118 118 VAL C C 13 175.124 . . 1 . . . . 117 VAL C . 15685 2 1337 . 2 2 118 118 VAL CA C 13 62.301 . . 1 . . . . 117 VAL CA . 15685 2 1338 . 2 2 118 118 VAL CB C 13 31.337 . . 1 . . . . 117 VAL CB . 15685 2 1339 . 2 2 118 118 VAL CG1 C 13 23.323 . . 1 . . . . 117 VAL CG1 . 15685 2 1340 . 2 2 118 118 VAL CG2 C 13 19.882 . . 1 . . . . 117 VAL CG2 . 15685 2 1341 . 2 2 118 118 VAL N N 15 111.501 . . 1 . . . . 117 VAL N . 15685 2 1342 . 2 2 119 119 GLY H H 1 8.254 . . 1 . . . . 118 GLY HN . 15685 2 1343 . 2 2 119 119 GLY HA2 H 1 4.429 . . 2 . . . . 118 GLY HA1 . 15685 2 1344 . 2 2 119 119 GLY HA3 H 1 3.833 . . 2 . . . . 118 GLY HA2 . 15685 2 1345 . 2 2 119 119 GLY C C 13 173.855 . . 1 . . . . 118 GLY C . 15685 2 1346 . 2 2 119 119 GLY CA C 13 45.050 . . 1 . . . . 118 GLY CA . 15685 2 1347 . 2 2 119 119 GLY N N 15 106.983 . . 1 . . . . 118 GLY N . 15685 2 1348 . 2 2 120 120 SER H H 1 8.537 . . 1 . . . . 119 SER HN . 15685 2 1349 . 2 2 120 120 SER HA H 1 4.675 . . 1 . . . . 119 SER HA . 15685 2 1350 . 2 2 120 120 SER HB2 H 1 3.838 . . 2 . . . . 119 SER HB1 . 15685 2 1351 . 2 2 120 120 SER HB3 H 1 3.825 . . 2 . . . . 119 SER HB2 . 15685 2 1352 . 2 2 120 120 SER C C 13 176.302 . . 1 . . . . 119 SER C . 15685 2 1353 . 2 2 120 120 SER CA C 13 58.356 . . 1 . . . . 119 SER CA . 15685 2 1354 . 2 2 120 120 SER CB C 13 64.176 . . 1 . . . . 119 SER CB . 15685 2 1355 . 2 2 120 120 SER N N 15 115.548 . . 1 . . . . 119 SER N . 15685 2 1356 . 2 2 121 121 GLY H H 1 8.913 . . 1 . . . . 120 GLY HN . 15685 2 1357 . 2 2 121 121 GLY HA2 H 1 4.025 . . 2 . . . . 120 GLY HA1 . 15685 2 1358 . 2 2 121 121 GLY HA3 H 1 3.860 . . 2 . . . . 120 GLY HA2 . 15685 2 1359 . 2 2 121 121 GLY C C 13 174.392 . . 1 . . . . 120 GLY C . 15685 2 1360 . 2 2 121 121 GLY CA C 13 46.343 . . 1 . . . . 120 GLY CA . 15685 2 1361 . 2 2 121 121 GLY N N 15 115.266 . . 1 . . . . 120 GLY N . 15685 2 1362 . 2 2 122 122 ALA H H 1 8.233 . . 1 . . . . 121 ALA HN . 15685 2 1363 . 2 2 122 122 ALA HA H 1 4.815 . . 1 . . . . 121 ALA HA . 15685 2 1364 . 2 2 122 122 ALA HB1 H 1 1.470 . . 1 . . . . 121 ALA HB1 . 15685 2 1365 . 2 2 122 122 ALA HB2 H 1 1.470 . . 1 . . . . 121 ALA HB1 . 15685 2 1366 . 2 2 122 122 ALA HB3 H 1 1.470 . . 1 . . . . 121 ALA HB1 . 15685 2 1367 . 2 2 122 122 ALA C C 13 177.794 . . 1 . . . . 121 ALA C . 15685 2 1368 . 2 2 122 122 ALA CA C 13 52.909 . . 1 . . . . 121 ALA CA . 15685 2 1369 . 2 2 122 122 ALA CB C 13 20.451 . . 1 . . . . 121 ALA CB . 15685 2 1370 . 2 2 122 122 ALA N N 15 124.193 . . 1 . . . . 121 ALA N . 15685 2 1371 . 2 2 123 123 THR H H 1 8.317 . . 1 . . . . 122 THR HN . 15685 2 1372 . 2 2 123 123 THR HA H 1 5.045 . . 1 . . . . 122 THR HA . 15685 2 1373 . 2 2 123 123 THR HB H 1 4.002 . . 1 . . . . 122 THR HB . 15685 2 1374 . 2 2 123 123 THR HG21 H 1 1.150 . . 1 . . . . 122 THR HG21 . 15685 2 1375 . 2 2 123 123 THR HG22 H 1 1.150 . . 1 . . . . 122 THR HG21 . 15685 2 1376 . 2 2 123 123 THR HG23 H 1 1.150 . . 1 . . . . 122 THR HG21 . 15685 2 1377 . 2 2 123 123 THR C C 13 172.423 . . 1 . . . . 122 THR C . 15685 2 1378 . 2 2 123 123 THR CA C 13 59.998 . . 1 . . . . 122 THR CA . 15685 2 1379 . 2 2 123 123 THR CB C 13 72.534 . . 1 . . . . 122 THR CB . 15685 2 1380 . 2 2 123 123 THR CG2 C 13 21.362 . . 1 . . . . 122 THR CG2 . 15685 2 1381 . 2 2 123 123 THR N N 15 109.999 . . 1 . . . . 122 THR N . 15685 2 1382 . 2 2 124 124 LEU H H 1 8.718 . . 1 . . . . 123 LEU HN . 15685 2 1383 . 2 2 124 124 LEU HA H 1 5.384 . . 1 . . . . 123 LEU HA . 15685 2 1384 . 2 2 124 124 LEU HB2 H 1 1.673 . . 2 . . . . 123 LEU HB1 . 15685 2 1385 . 2 2 124 124 LEU HB3 H 1 1.120 . . 2 . . . . 123 LEU HB2 . 15685 2 1386 . 2 2 124 124 LEU HD11 H 1 0.698 . . 2 . . . . 123 LEU HD11 . 15685 2 1387 . 2 2 124 124 LEU HD12 H 1 0.698 . . 2 . . . . 123 LEU HD11 . 15685 2 1388 . 2 2 124 124 LEU HD13 H 1 0.698 . . 2 . . . . 123 LEU HD11 . 15685 2 1389 . 2 2 124 124 LEU HD21 H 1 0.652 . . 2 . . . . 123 LEU HD21 . 15685 2 1390 . 2 2 124 124 LEU HD22 H 1 0.652 . . 2 . . . . 123 LEU HD21 . 15685 2 1391 . 2 2 124 124 LEU HD23 H 1 0.652 . . 2 . . . . 123 LEU HD21 . 15685 2 1392 . 2 2 124 124 LEU HG H 1 1.365 . . 1 . . . . 123 LEU HG . 15685 2 1393 . 2 2 124 124 LEU C C 13 175.034 . . 1 . . . . 123 LEU C . 15685 2 1394 . 2 2 124 124 LEU CA C 13 53.805 . . 1 . . . . 123 LEU CA . 15685 2 1395 . 2 2 124 124 LEU CB C 13 46.716 . . 1 . . . . 123 LEU CB . 15685 2 1396 . 2 2 124 124 LEU CD1 C 13 26.347 . . 1 . . . . 123 LEU CD1 . 15685 2 1397 . 2 2 124 124 LEU CD2 C 13 25.191 . . 1 . . . . 123 LEU CD2 . 15685 2 1398 . 2 2 124 124 LEU CG C 13 27.367 . . 1 . . . . 123 LEU CG . 15685 2 1399 . 2 2 124 124 LEU N N 15 124.526 . . 1 . . . . 123 LEU N . 15685 2 1400 . 2 2 125 125 VAL H H 1 8.697 . . 1 . . . . 124 VAL HN . 15685 2 1401 . 2 2 125 125 VAL HA H 1 4.885 . . 1 . . . . 124 VAL HA . 15685 2 1402 . 2 2 125 125 VAL HB H 1 1.965 . . 1 . . . . 124 VAL HB . 15685 2 1403 . 2 2 125 125 VAL HG11 H 1 0.980 . . 2 . . . . 124 VAL HG11 . 15685 2 1404 . 2 2 125 125 VAL HG12 H 1 0.980 . . 2 . . . . 124 VAL HG11 . 15685 2 1405 . 2 2 125 125 VAL HG13 H 1 0.980 . . 2 . . . . 124 VAL HG11 . 15685 2 1406 . 2 2 125 125 VAL HG21 H 1 0.980 . . 2 . . . . 124 VAL HG21 . 15685 2 1407 . 2 2 125 125 VAL HG22 H 1 0.980 . . 2 . . . . 124 VAL HG21 . 15685 2 1408 . 2 2 125 125 VAL HG23 H 1 0.980 . . 2 . . . . 124 VAL HG21 . 15685 2 1409 . 2 2 125 125 VAL C C 13 174.318 . . 1 . . . . 124 VAL C . 15685 2 1410 . 2 2 125 125 VAL CA C 13 60.669 . . 1 . . . . 124 VAL CA . 15685 2 1411 . 2 2 125 125 VAL CB C 13 35.971 . . 1 . . . . 124 VAL CB . 15685 2 1412 . 2 2 125 125 VAL CG1 C 13 21.432 . . 1 . . . . 124 VAL CG1 . 15685 2 1413 . 2 2 125 125 VAL CG2 C 13 21.432 . . 1 . . . . 124 VAL CG2 . 15685 2 1414 . 2 2 125 125 VAL N N 15 124.526 . . 1 . . . . 124 VAL N . 15685 2 1415 . 2 2 126 126 VAL H H 1 8.490 . . 1 . . . . 125 VAL HN . 15685 2 1416 . 2 2 126 126 VAL HA H 1 5.177 . . 1 . . . . 125 VAL HA . 15685 2 1417 . 2 2 126 126 VAL HB H 1 2.005 . . 1 . . . . 125 VAL HB . 15685 2 1418 . 2 2 126 126 VAL HG11 H 1 1.017 . . 2 . . . . 125 VAL HG11 . 15685 2 1419 . 2 2 126 126 VAL HG12 H 1 1.017 . . 2 . . . . 125 VAL HG11 . 15685 2 1420 . 2 2 126 126 VAL HG13 H 1 1.017 . . 2 . . . . 125 VAL HG11 . 15685 2 1421 . 2 2 126 126 VAL HG21 H 1 1.017 . . 2 . . . . 125 VAL HG21 . 15685 2 1422 . 2 2 126 126 VAL HG22 H 1 1.017 . . 2 . . . . 125 VAL HG21 . 15685 2 1423 . 2 2 126 126 VAL HG23 H 1 1.017 . . 2 . . . . 125 VAL HG21 . 15685 2 1424 . 2 2 126 126 VAL C C 13 175.914 . . 1 . . . . 125 VAL C . 15685 2 1425 . 2 2 126 126 VAL CA C 13 61.266 . . 1 . . . . 125 VAL CA . 15685 2 1426 . 2 2 126 126 VAL CB C 13 33.807 . . 1 . . . . 125 VAL CB . 15685 2 1427 . 2 2 126 126 VAL CG1 C 13 20.700 . . 1 . . . . 125 VAL CG1 . 15685 2 1428 . 2 2 126 126 VAL CG2 C 13 20.700 . . 1 . . . . 125 VAL CG2 . 15685 2 1429 . 2 2 126 126 VAL N N 15 127.843 . . 1 . . . . 125 VAL N . 15685 2 1430 . 2 2 127 127 THR H H 1 8.787 . . 1 . . . . 126 THR HN . 15685 2 1431 . 2 2 127 127 THR HA H 1 4.811 . . 1 . . . . 126 THR HA . 15685 2 1432 . 2 2 127 127 THR HB H 1 4.384 . . 1 . . . . 126 THR HB . 15685 2 1433 . 2 2 127 127 THR HG21 H 1 1.145 . . 1 . . . . 126 THR HG21 . 15685 2 1434 . 2 2 127 127 THR HG22 H 1 1.145 . . 1 . . . . 126 THR HG21 . 15685 2 1435 . 2 2 127 127 THR HG23 H 1 1.145 . . 1 . . . . 126 THR HG21 . 15685 2 1436 . 2 2 127 127 THR C C 13 173.348 . . 1 . . . . 126 THR C . 15685 2 1437 . 2 2 127 127 THR CA C 13 59.401 . . 1 . . . . 126 THR CA . 15685 2 1438 . 2 2 127 127 THR CB C 13 71.713 . . 1 . . . . 126 THR CB . 15685 2 1439 . 2 2 127 127 THR CG2 C 13 21.016 . . 1 . . . . 126 THR CG2 . 15685 2 1440 . 2 2 127 127 THR N N 15 118.715 . . 1 . . . . 126 THR N . 15685 2 1441 . 2 2 128 128 THR H H 1 8.267 . . 1 . . . . 127 THR HN . 15685 2 1442 . 2 2 128 128 THR HA H 1 4.225 . . 1 . . . . 127 THR HA . 15685 2 1443 . 2 2 128 128 THR HB H 1 3.965 . . 1 . . . . 127 THR HB . 15685 2 1444 . 2 2 128 128 THR HG21 H 1 1.365 . . 1 . . . . 127 THR HG21 . 15685 2 1445 . 2 2 128 128 THR HG22 H 1 1.365 . . 1 . . . . 127 THR HG21 . 15685 2 1446 . 2 2 128 128 THR HG23 H 1 1.365 . . 1 . . . . 127 THR HG21 . 15685 2 1447 . 2 2 128 128 THR C C 13 173.497 . . 1 . . . . 127 THR C . 15685 2 1448 . 2 2 128 128 THR CA C 13 63.878 . . 1 . . . . 127 THR CA . 15685 2 1449 . 2 2 128 128 THR CB C 13 69.549 . . 1 . . . . 127 THR CB . 15685 2 1450 . 2 2 128 128 THR CG2 C 13 22.188 . . 1 . . . . 127 THR CG2 . 15685 2 1451 . 2 2 128 128 THR N N 15 116.708 . . 1 . . . . 127 THR N . 15685 2 1452 . 2 2 129 129 LEU H H 1 8.178 . . 1 . . . . 128 LEU HN . 15685 2 1453 . 2 2 129 129 LEU HA H 1 4.010 . . 1 . . . . 128 LEU HA . 15685 2 1454 . 2 2 129 129 LEU HB2 H 1 1.612 . . 2 . . . . 128 LEU HB1 . 15685 2 1455 . 2 2 129 129 LEU HB3 H 1 0.890 . . 2 . . . . 128 LEU HB2 . 15685 2 1456 . 2 2 129 129 LEU HD11 H 1 0.577 . . 2 . . . . 128 LEU HD11 . 15685 2 1457 . 2 2 129 129 LEU HD12 H 1 0.577 . . 2 . . . . 128 LEU HD11 . 15685 2 1458 . 2 2 129 129 LEU HD13 H 1 0.577 . . 2 . . . . 128 LEU HD11 . 15685 2 1459 . 2 2 129 129 LEU HD21 H 1 0.760 . . 2 . . . . 128 LEU HD21 . 15685 2 1460 . 2 2 129 129 LEU HD22 H 1 0.760 . . 2 . . . . 128 LEU HD21 . 15685 2 1461 . 2 2 129 129 LEU HD23 H 1 0.760 . . 2 . . . . 128 LEU HD21 . 15685 2 1462 . 2 2 129 129 LEU HG H 1 1.490 . . 1 . . . . 128 LEU HG . 15685 2 1463 . 2 2 129 129 LEU C C 13 177.078 . . 1 . . . . 128 LEU C . 15685 2 1464 . 2 2 129 129 LEU CA C 13 56.416 . . 1 . . . . 128 LEU CA . 15685 2 1465 . 2 2 129 129 LEU CB C 13 41.506 . . 1 . . . . 128 LEU CB . 15685 2 1466 . 2 2 129 129 LEU CD1 C 13 25.947 . . 1 . . . . 128 LEU CD1 . 15685 2 1467 . 2 2 129 129 LEU CD2 C 13 24.440 . . 1 . . . . 128 LEU CD2 . 15685 2 1468 . 2 2 129 129 LEU CG C 13 26.217 . . 1 . . . . 128 LEU CG . 15685 2 1469 . 2 2 129 129 LEU N N 15 126.901 . . 1 . . . . 128 LEU N . 15685 2 1470 . 2 2 130 130 GLY H H 1 8.754 . . 1 . . . . 129 GLY HN . 15685 2 1471 . 2 2 130 130 GLY HA2 H 1 3.910 . . 2 . . . . 129 GLY HA1 . 15685 2 1472 . 2 2 130 130 GLY HA3 H 1 3.565 . . 2 . . . . 129 GLY HA2 . 15685 2 1473 . 2 2 130 130 GLY C C 13 174.154 . . 1 . . . . 129 GLY C . 15685 2 1474 . 2 2 130 130 GLY CA C 13 44.627 . . 1 . . . . 129 GLY CA . 15685 2 1475 . 2 2 130 130 GLY N N 15 115.651 . . 1 . . . . 129 GLY N . 15685 2 1476 . 2 2 131 131 GLU H H 1 7.778 . . 1 . . . . 130 GLU HN . 15685 2 1477 . 2 2 131 131 GLU HA H 1 4.350 . . 1 . . . . 130 GLU HA . 15685 2 1478 . 2 2 131 131 GLU HB2 H 1 2.039 . . 2 . . . . 130 GLU HB1 . 15685 2 1479 . 2 2 131 131 GLU HB3 H 1 1.898 . . 2 . . . . 130 GLU HB2 . 15685 2 1480 . 2 2 131 131 GLU C C 13 175.720 . . 1 . . . . 130 GLU C . 15685 2 1481 . 2 2 131 131 GLU CA C 13 55.817 . . 1 . . . . 130 GLU CA . 15685 2 1482 . 2 2 131 131 GLU CB C 13 30.084 . . 1 . . . . 130 GLU CB . 15685 2 1483 . 2 2 131 131 GLU CG C 13 36.464 . . 1 . . . . 130 GLU CG . 15685 2 1484 . 2 2 131 131 GLU N N 15 121.538 . . 1 . . . . 130 GLU N . 15685 2 1485 . 2 2 132 132 SER H H 1 8.409 . . 1 . . . . 131 SER HN . 15685 2 1486 . 2 2 132 132 SER CA C 13 56.715 . . 1 . . . . 131 SER CA . 15685 2 1487 . 2 2 132 132 SER CB C 13 63.430 . . 1 . . . . 131 SER CB . 15685 2 1488 . 2 2 132 132 SER N N 15 119.605 . . 1 . . . . 131 SER N . 15685 2 1489 . 2 2 133 133 PRO HA H 1 4.493 . . 1 . . . . 132 PRO HA . 15685 2 1490 . 2 2 133 133 PRO HB2 H 1 2.263 . . 2 . . . . 132 PRO HB1 . 15685 2 1491 . 2 2 133 133 PRO HB3 H 1 1.960 . . 2 . . . . 132 PRO HB2 . 15685 2 1492 . 2 2 133 133 PRO HD2 H 1 3.850 . . 2 . . . . 132 PRO HD1 . 15685 2 1493 . 2 2 133 133 PRO HD3 H 1 3.763 . . 2 . . . . 132 PRO HD2 . 15685 2 1494 . 2 2 133 133 PRO HG2 H 1 2.007 . . 2 . . . . 132 PRO HG1 . 15685 2 1495 . 2 2 133 133 PRO HG3 H 1 1.970 . . 2 . . . . 132 PRO HG2 . 15685 2 1496 . 2 2 133 133 PRO C C 13 177.093 . . 1 . . . . 132 PRO C . 15685 2 1497 . 2 2 133 133 PRO CA C 13 63.568 . . 1 . . . . 132 PRO CA . 15685 2 1498 . 2 2 133 133 PRO CB C 13 32.204 . . 1 . . . . 132 PRO CB . 15685 2 1499 . 2 2 133 133 PRO CD C 13 50.949 . . 1 . . . . 132 PRO CD . 15685 2 1500 . 2 2 133 133 PRO CG C 13 27.446 . . 1 . . . . 132 PRO CG . 15685 2 1501 . 2 2 134 134 THR H H 1 8.009 . . 1 . . . . 133 THR HN . 15685 2 1502 . 2 2 134 134 THR HA H 1 4.225 . . 1 . . . . 133 THR HA . 15685 2 1503 . 2 2 134 134 THR HB H 1 4.203 . . 1 . . . . 133 THR HB . 15685 2 1504 . 2 2 134 134 THR HG21 H 1 1.185 . . 1 . . . . 133 THR HG21 . 15685 2 1505 . 2 2 134 134 THR HG22 H 1 1.185 . . 1 . . . . 133 THR HG21 . 15685 2 1506 . 2 2 134 134 THR HG23 H 1 1.185 . . 1 . . . . 133 THR HG21 . 15685 2 1507 . 2 2 134 134 THR C C 13 174.557 . . 1 . . . . 133 THR C . 15685 2 1508 . 2 2 134 134 THR CA C 13 62.171 . . 1 . . . . 133 THR CA . 15685 2 1509 . 2 2 134 134 THR CB C 13 69.397 . . 1 . . . . 133 THR CB . 15685 2 1510 . 2 2 134 134 THR CG2 C 13 21.461 . . 1 . . . . 133 THR CG2 . 15685 2 1511 . 2 2 134 134 THR N N 15 113.433 . . 1 . . . . 133 THR N . 15685 2 1512 . 2 2 135 135 ALA H H 1 8.049 . . 1 . . . . 134 ALA HN . 15685 2 1513 . 2 2 135 135 ALA HA H 1 4.268 . . 1 . . . . 134 ALA HA . 15685 2 1514 . 2 2 135 135 ALA HB1 H 1 1.376 . . 1 . . . . 134 ALA HB1 . 15685 2 1515 . 2 2 135 135 ALA HB2 H 1 1.376 . . 1 . . . . 134 ALA HB1 . 15685 2 1516 . 2 2 135 135 ALA HB3 H 1 1.376 . . 1 . . . . 134 ALA HB1 . 15685 2 1517 . 2 2 135 135 ALA C C 13 178.078 . . 1 . . . . 134 ALA C . 15685 2 1518 . 2 2 135 135 ALA CA C 13 52.896 . . 1 . . . . 134 ALA CA . 15685 2 1519 . 2 2 135 135 ALA CB C 13 19.452 . . 1 . . . . 134 ALA CB . 15685 2 1520 . 2 2 135 135 ALA N N 15 125.613 . . 1 . . . . 134 ALA N . 15685 2 1521 . 2 2 136 136 VAL H H 1 8.000 . . 1 . . . . 135 VAL HN . 15685 2 1522 . 2 2 136 136 VAL HA H 1 3.985 . . 1 . . . . 135 VAL HA . 15685 2 1523 . 2 2 136 136 VAL HB H 1 2.050 . . 1 . . . . 135 VAL HB . 15685 2 1524 . 2 2 136 136 VAL HG11 H 1 0.915 . . 2 . . . . 135 VAL HG11 . 15685 2 1525 . 2 2 136 136 VAL HG12 H 1 0.915 . . 2 . . . . 135 VAL HG11 . 15685 2 1526 . 2 2 136 136 VAL HG13 H 1 0.915 . . 2 . . . . 135 VAL HG11 . 15685 2 1527 . 2 2 136 136 VAL HG21 H 1 0.895 . . 2 . . . . 135 VAL HG21 . 15685 2 1528 . 2 2 136 136 VAL HG22 H 1 0.895 . . 2 . . . . 135 VAL HG21 . 15685 2 1529 . 2 2 136 136 VAL HG23 H 1 0.895 . . 2 . . . . 135 VAL HG21 . 15685 2 1530 . 2 2 136 136 VAL C C 13 176.466 . . 1 . . . . 135 VAL C . 15685 2 1531 . 2 2 136 136 VAL CA C 13 63.132 . . 1 . . . . 135 VAL CA . 15685 2 1532 . 2 2 136 136 VAL CB C 13 32.539 . . 1 . . . . 135 VAL CB . 15685 2 1533 . 2 2 136 136 VAL CG1 C 13 21.180 . . 1 . . . . 135 VAL CG1 . 15685 2 1534 . 2 2 136 136 VAL N N 15 118.415 . . 1 . . . . 135 VAL N . 15685 2 1535 . 2 2 137 137 SER H H 1 8.093 . . 1 . . . . 136 SER HN . 15685 2 1536 . 2 2 137 137 SER HA H 1 4.354 . . 1 . . . . 136 SER HA . 15685 2 1537 . 2 2 137 137 SER HB2 H 1 3.840 . . 2 . . . . 136 SER HB1 . 15685 2 1538 . 2 2 137 137 SER HB3 H 1 3.820 . . 2 . . . . 136 SER HB2 . 15685 2 1539 . 2 2 137 137 SER CA C 13 58.855 . . 1 . . . . 136 SER CA . 15685 2 1540 . 2 2 137 137 SER CB C 13 63.790 . . 1 . . . . 136 SER CB . 15685 2 1541 . 2 2 137 137 SER N N 15 118.172 . . 1 . . . . 136 SER N . 15685 2 stop_ save_