data_16507 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16507 _Entry.Title ; NMR structure of mouse Par3-PDZ3 in complex with VE-Cadherin C-terminus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-22 _Entry.Accession_date 2009-09-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 B. Volkman B. F. . 16507 2 R. Tyler R. C. . 16507 3 F. Peterson F. C. . 16507 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16507 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Par3 . 16507 'PDZ domain' . 16507 'VE Cadherin' . 16507 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16507 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 499 16507 '15N chemical shifts' 137 16507 '1H chemical shifts' 841 16507 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-02-23 2009-09-22 update BMRB 'completed entry citation' 16507 1 . . 2010-01-28 2009-09-22 original author 'original release' 16507 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KOH 'BMRB Entry Tracking System' 16507 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16507 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20047332 _Citation.Full_citation . _Citation.Title 'Distal interactions within the par3-VE-cadherin complex.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 49 _Citation.Journal_issue 5 _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 951 _Citation.Page_last 957 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Robert Tyler . C. . 16507 1 2 Francis Peterson . C. . 16507 1 3 Brian Volkman . F. . 16507 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16507 _Assembly.ID 1 _Assembly.Name 'MmPar3 PDZ3, MmVE-Cadherin' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MmPar3 PDZ3' 1 $MmPar3_PDZ3 A . yes native no no . . . 16507 1 2 MmVE-Cadherin 2 $MmVE-Cadherin B . yes native no no . . . 16507 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MmPar3_PDZ3 _Entity.Sf_category entity _Entity.Sf_framecode MmPar3_PDZ3 _Entity.Entry_ID 16507 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MmPar3_PDZ3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSDGTREFLTFEVPLNDSGS AGLGVSVKGNRSKENHADLG IFVKSIINGGAASKDGRLRV NDQLIAVNGESLLGKANQEA METLRRSMSTEGNKRGMIQL IVARRISRCNE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The N-terminal GS dipeptide is a cloning artifact.' _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'PDZ3 (residue 581-689)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11905.506 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K1Z . "Solution Structure Of Par-3 Pdz3" . . . . . 93.69 104 100.00 100.00 1.95e-65 . . . . 16507 1 2 no PDB 2K20 . "Solution Structure Of Par-3 Pdz3 In Complex With Pten Peptide" . . . . . 93.69 104 100.00 100.00 1.95e-65 . . . . 16507 1 3 no PDB 2KOH . "Nmr Structure Of Mouse Par3-Pdz3 In Complex With Ve-Cadherin C-Terminus" . . . . . 100.00 111 100.00 100.00 2.36e-71 . . . . 16507 1 4 no REF XP_009513481 . "PREDICTED: partitioning defective 3 homolog, partial [Phalacrocorax carbo]" . . . . . 98.20 625 97.25 99.08 1.36e-64 . . . . 16507 1 5 no REF XP_009571943 . "PREDICTED: partitioning defective 3 homolog [Fulmarus glacialis]" . . . . . 98.20 550 97.25 99.08 8.31e-65 . . . . 16507 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 . GLY . 16507 1 2 . SER . 16507 1 3 . ASP . 16507 1 4 . GLY . 16507 1 5 . THR . 16507 1 6 . ARG . 16507 1 7 . GLU . 16507 1 8 . PHE . 16507 1 9 . LEU . 16507 1 10 . THR . 16507 1 11 . PHE . 16507 1 12 . GLU . 16507 1 13 . VAL . 16507 1 14 . PRO . 16507 1 15 . LEU . 16507 1 16 . ASN . 16507 1 17 . ASP . 16507 1 18 . SER . 16507 1 19 . GLY . 16507 1 20 . SER . 16507 1 21 . ALA . 16507 1 22 . GLY . 16507 1 23 . LEU . 16507 1 24 . GLY . 16507 1 25 . VAL . 16507 1 26 . SER . 16507 1 27 . VAL . 16507 1 28 . LYS . 16507 1 29 . GLY . 16507 1 30 . ASN . 16507 1 31 . ARG . 16507 1 32 . SER . 16507 1 33 . LYS . 16507 1 34 . GLU . 16507 1 35 . ASN . 16507 1 36 . HIS . 16507 1 37 . ALA . 16507 1 38 . ASP . 16507 1 39 . LEU . 16507 1 40 . GLY . 16507 1 41 . ILE . 16507 1 42 . PHE . 16507 1 43 . VAL . 16507 1 44 . LYS . 16507 1 45 . SER . 16507 1 46 . ILE . 16507 1 47 . ILE . 16507 1 48 . ASN . 16507 1 49 . GLY . 16507 1 50 . GLY . 16507 1 51 . ALA . 16507 1 52 . ALA . 16507 1 53 . SER . 16507 1 54 . LYS . 16507 1 55 . ASP . 16507 1 56 . GLY . 16507 1 57 . ARG . 16507 1 58 . LEU . 16507 1 59 . ARG . 16507 1 60 . VAL . 16507 1 61 . ASN . 16507 1 62 . ASP . 16507 1 63 . GLN . 16507 1 64 . LEU . 16507 1 65 . ILE . 16507 1 66 . ALA . 16507 1 67 . VAL . 16507 1 68 . ASN . 16507 1 69 . GLY . 16507 1 70 . GLU . 16507 1 71 . SER . 16507 1 72 . LEU . 16507 1 73 . LEU . 16507 1 74 . GLY . 16507 1 75 . LYS . 16507 1 76 . ALA . 16507 1 77 . ASN . 16507 1 78 . GLN . 16507 1 79 . GLU . 16507 1 80 . ALA . 16507 1 81 . MET . 16507 1 82 . GLU . 16507 1 83 . THR . 16507 1 84 . LEU . 16507 1 85 . ARG . 16507 1 86 . ARG . 16507 1 87 . SER . 16507 1 88 . MET . 16507 1 89 . SER . 16507 1 90 . THR . 16507 1 91 . GLU . 16507 1 92 . GLY . 16507 1 93 . ASN . 16507 1 94 . LYS . 16507 1 95 . ARG . 16507 1 96 . GLY . 16507 1 97 . MET . 16507 1 98 . ILE . 16507 1 99 . GLN . 16507 1 100 . LEU . 16507 1 101 . ILE . 16507 1 102 . VAL . 16507 1 103 . ALA . 16507 1 104 . ARG . 16507 1 105 . ARG . 16507 1 106 . ILE . 16507 1 107 . SER . 16507 1 108 . ARG . 16507 1 109 . CYS . 16507 1 110 . ASN . 16507 1 111 . GLU . 16507 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16507 1 . SER 2 2 16507 1 . ASP 3 3 16507 1 . GLY 4 4 16507 1 . THR 5 5 16507 1 . ARG 6 6 16507 1 . GLU 7 7 16507 1 . PHE 8 8 16507 1 . LEU 9 9 16507 1 . THR 10 10 16507 1 . PHE 11 11 16507 1 . GLU 12 12 16507 1 . VAL 13 13 16507 1 . PRO 14 14 16507 1 . LEU 15 15 16507 1 . ASN 16 16 16507 1 . ASP 17 17 16507 1 . SER 18 18 16507 1 . GLY 19 19 16507 1 . SER 20 20 16507 1 . ALA 21 21 16507 1 . GLY 22 22 16507 1 . LEU 23 23 16507 1 . GLY 24 24 16507 1 . VAL 25 25 16507 1 . SER 26 26 16507 1 . VAL 27 27 16507 1 . LYS 28 28 16507 1 . GLY 29 29 16507 1 . ASN 30 30 16507 1 . ARG 31 31 16507 1 . SER 32 32 16507 1 . LYS 33 33 16507 1 . GLU 34 34 16507 1 . ASN 35 35 16507 1 . HIS 36 36 16507 1 . ALA 37 37 16507 1 . ASP 38 38 16507 1 . LEU 39 39 16507 1 . GLY 40 40 16507 1 . ILE 41 41 16507 1 . PHE 42 42 16507 1 . VAL 43 43 16507 1 . LYS 44 44 16507 1 . SER 45 45 16507 1 . ILE 46 46 16507 1 . ILE 47 47 16507 1 . ASN 48 48 16507 1 . GLY 49 49 16507 1 . GLY 50 50 16507 1 . ALA 51 51 16507 1 . ALA 52 52 16507 1 . SER 53 53 16507 1 . LYS 54 54 16507 1 . ASP 55 55 16507 1 . GLY 56 56 16507 1 . ARG 57 57 16507 1 . LEU 58 58 16507 1 . ARG 59 59 16507 1 . VAL 60 60 16507 1 . ASN 61 61 16507 1 . ASP 62 62 16507 1 . GLN 63 63 16507 1 . LEU 64 64 16507 1 . ILE 65 65 16507 1 . ALA 66 66 16507 1 . VAL 67 67 16507 1 . ASN 68 68 16507 1 . GLY 69 69 16507 1 . GLU 70 70 16507 1 . SER 71 71 16507 1 . LEU 72 72 16507 1 . LEU 73 73 16507 1 . GLY 74 74 16507 1 . LYS 75 75 16507 1 . ALA 76 76 16507 1 . ASN 77 77 16507 1 . GLN 78 78 16507 1 . GLU 79 79 16507 1 . ALA 80 80 16507 1 . MET 81 81 16507 1 . GLU 82 82 16507 1 . THR 83 83 16507 1 . LEU 84 84 16507 1 . ARG 85 85 16507 1 . ARG 86 86 16507 1 . SER 87 87 16507 1 . MET 88 88 16507 1 . SER 89 89 16507 1 . THR 90 90 16507 1 . GLU 91 91 16507 1 . GLY 92 92 16507 1 . ASN 93 93 16507 1 . LYS 94 94 16507 1 . ARG 95 95 16507 1 . GLY 96 96 16507 1 . MET 97 97 16507 1 . ILE 98 98 16507 1 . GLN 99 99 16507 1 . LEU 100 100 16507 1 . ILE 101 101 16507 1 . VAL 102 102 16507 1 . ALA 103 103 16507 1 . ARG 104 104 16507 1 . ARG 105 105 16507 1 . ILE 106 106 16507 1 . SER 107 107 16507 1 . ARG 108 108 16507 1 . CYS 109 109 16507 1 . ASN 110 110 16507 1 . GLU 111 111 16507 1 stop_ save_ save_MmVE-Cadherin _Entity.Sf_category entity _Entity.Sf_framecode MmVE-Cadherin _Entity.Entry_ID 16507 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MmVE-Cadherin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code MLAELYGSDPQEELII _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 16 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'VE-cadherin (residues 769-784)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1821.067 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 PDB 2KOH . "Nmr Structure Of Mouse Par3-Pdz3 In Complex With Ve-Cadherin C-Terminus" . . . . . 100.00 16 100.00 100.00 6.06e-01 . . . . 16507 2 2 no DBJ BAA22617 . "cadherin-5 [Mus musculus]" . . . . . 100.00 784 100.00 100.00 9.85e-01 . . . . 16507 2 3 no DBJ BAE39672 . "unnamed protein product [Mus musculus]" . . . . . 100.00 784 100.00 100.00 9.58e-01 . . . . 16507 2 4 no EMBL CAA58782 . "vascular endothelial-cadherin [Mus musculus]" . . . . . 100.00 784 100.00 100.00 9.85e-01 . . . . 16507 2 5 no GB AAH54790 . "Cadherin 5 [Mus musculus]" . . . . . 100.00 784 100.00 100.00 9.85e-01 . . . . 16507 2 6 no GB EDL11198 . "cadherin 5 [Mus musculus]" . . . . . 100.00 784 100.00 100.00 9.85e-01 . . . . 16507 2 7 no GB EDL87251 . "cadherin 5 (predicted) [Rattus norvegicus]" . . . . . 100.00 776 100.00 100.00 1.05e+00 . . . . 16507 2 8 no PRF 2208309A . cadherin:ISOTYPE=VE . . . . . 100.00 783 100.00 100.00 1.02e+00 . . . . 16507 2 9 no REF NP_001100877 . "cadherin-5 [Rattus norvegicus]" . . . . . 100.00 776 100.00 100.00 1.05e+00 . . . . 16507 2 10 no REF NP_033998 . "cadherin-5 precursor [Mus musculus]" . . . . . 100.00 784 100.00 100.00 9.85e-01 . . . . 16507 2 11 no REF XP_006530693 . "PREDICTED: cadherin-5 isoform X1 [Mus musculus]" . . . . . 100.00 784 100.00 100.00 9.85e-01 . . . . 16507 2 12 no SP P55284 . "RecName: Full=Cadherin-5; AltName: Full=Vascular endothelial cadherin; Short=VE-cadherin; AltName: CD_antigen=CD144; Flags: Pre" . . . . . 100.00 784 100.00 100.00 9.85e-01 . . . . 16507 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 1 144 MET . 16507 2 2 145 LEU . 16507 2 3 146 ALA . 16507 2 4 147 GLU . 16507 2 5 148 LEU . 16507 2 6 149 TYR . 16507 2 7 150 GLY . 16507 2 8 151 SER . 16507 2 9 152 ASP . 16507 2 10 153 PRO . 16507 2 11 154 GLN . 16507 2 12 155 GLU . 16507 2 13 156 GLU . 16507 2 14 157 LEU . 16507 2 15 158 ILE . 16507 2 16 159 ILE . 16507 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 16507 2 . LEU 2 2 16507 2 . ALA 3 3 16507 2 . GLU 4 4 16507 2 . LEU 5 5 16507 2 . TYR 6 6 16507 2 . GLY 7 7 16507 2 . SER 8 8 16507 2 . ASP 9 9 16507 2 . PRO 10 10 16507 2 . GLN 11 11 16507 2 . GLU 12 12 16507 2 . GLU 13 13 16507 2 . LEU 14 14 16507 2 . ILE 15 15 16507 2 . ILE 16 16 16507 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 16507 _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 2 $MmVE-Cadherin . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . VE-Cadherin . . . . 16507 1 2 1 $MmPar3_PDZ3 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . Par3 . . . . 16507 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 16507 _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 2 $MmVE-Cadherin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli SG130099[pREP4] . . . . . . . . . . . . . . . pQE30-SMT . . . . . . 16507 1 2 1 $MmPar3_PDZ3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli SG130099[pREP4] . . . . . . . . . . . . . . . pQE30-8HT . . . . . . 16507 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16507 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM mPar3 PDZ3 (581-689) U-15N/13C, 2.0 mM VE-Cadherin (769-784), 20 mM sodium phosphate, 50 mM sodium chloride' _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 'MmPar3 PDZ3' '[U-100% 13C; U-100% 15N]' . . 1 $MmPar3_PDZ3 . . 1 . . mM . . . . 16507 1 2 MmVE-Cadherin 'natural abundance' . . 2 $MmVE-Cadherin . . 2 . . mM . . . . 16507 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16507 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16507 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16507 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16507 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16507 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16507 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM VE-Cadherin (769-784) U-15N/13C, 1.0 mM mPar3 PDZ3 (581-689), 20 mM sodium phosphate, 50 mM sodium chloride' _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 MmVE-Cadherin '[U-100% 13C; U-100% 15N]' . . 2 $MmVE-Cadherin . . 1 . . mM . . . . 16507 2 2 'MmPar3 PDZ3' 'natural abundance' . . 1 $MmPar3_PDZ3 . . 1 . . mM . . . . 16507 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16507 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16507 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16507 2 6 'sodium chloride' 'natural abundance' . . . . . . 0.02 . . % . . . . 16507 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16507 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 16507 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 53 . mM 16507 1 pH 6.0 . pH 16507 1 pressure 1 . atm 16507 1 temperature 298 . K 16507 1 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 16507 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 16507 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16507 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 16507 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 16507 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16507 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 16507 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 16507 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16507 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16507 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 16507 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16507 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 16507 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 16507 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16507 5 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 16507 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 16507 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 16507 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16507 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16507 _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 II' . 600 . . . 16507 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 16507 _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 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16507 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16507 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16507 1 4 3D_15N-separated_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16507 1 5 3D_13C-separated_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16507 1 6 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16507 1 7 3D_13C-F1-filtered_13C-F3-separated_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16507 1 8 3D_13C-F1-filtered_13C-F3-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16507 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 16507 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16507 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16507 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16507 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 16507 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 3D_15N-separated_NOESY . . . 16507 1 2 3D_13C-separated_NOESY . . . 16507 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 16507 1 4 3D_15N-separated_NOESY . . . 16507 1 5 3D_13C-separated_NOESY . . . 16507 1 6 '3D_13C-separated_NOESY (AROMATIC)' . . . 16507 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 8.485 0.02 . 1 . . . . 2 SER H . 16507 1 2 . 1 1 2 2 SER N N 15 126.349 0.1 . 1 . . . . 2 SER N . 16507 1 3 . 1 1 3 3 ASP HA H 1 4.682 0.02 . 1 . . . . 3 ASP HA . 16507 1 4 . 1 1 3 3 ASP HB2 H 1 2.755 0.02 . 2 . . . . 3 ASP HB2 . 16507 1 5 . 1 1 3 3 ASP HB3 H 1 2.755 0.02 . 2 . . . . 3 ASP HB3 . 16507 1 6 . 1 1 3 3 ASP C C 13 176.871 0.1 . 1 . . . . 3 ASP C . 16507 1 7 . 1 1 3 3 ASP CA C 13 54.502 0.1 . 1 . . . . 3 ASP CA . 16507 1 8 . 1 1 3 3 ASP CB C 13 41.621 0.1 . 1 . . . . 3 ASP CB . 16507 1 9 . 1 1 4 4 GLY H H 1 8.391 0.02 . 1 . . . . 4 GLY H . 16507 1 10 . 1 1 4 4 GLY HA2 H 1 4.029 0.02 . 2 . . . . 4 GLY HA2 . 16507 1 11 . 1 1 4 4 GLY HA3 H 1 4.029 0.02 . 2 . . . . 4 GLY HA3 . 16507 1 12 . 1 1 4 4 GLY C C 13 174.521 0.1 . 1 . . . . 4 GLY C . 16507 1 13 . 1 1 4 4 GLY CA C 13 45.725 0.1 . 1 . . . . 4 GLY CA . 16507 1 14 . 1 1 4 4 GLY N N 15 109.285 0.1 . 1 . . . . 4 GLY N . 16507 1 15 . 1 1 5 5 THR H H 1 8.274 0.02 . 1 . . . . 5 THR H . 16507 1 16 . 1 1 5 5 THR HA H 1 4.393 0.02 . 1 . . . . 5 THR HA . 16507 1 17 . 1 1 5 5 THR HB H 1 4.222 0.02 . 1 . . . . 5 THR HB . 16507 1 18 . 1 1 5 5 THR HG21 H 1 1.199 0.02 . 1 . . . . 5 THR QG2 . 16507 1 19 . 1 1 5 5 THR HG22 H 1 1.199 0.02 . 1 . . . . 5 THR QG2 . 16507 1 20 . 1 1 5 5 THR HG23 H 1 1.199 0.02 . 1 . . . . 5 THR QG2 . 16507 1 21 . 1 1 5 5 THR C C 13 174.504 0.1 . 1 . . . . 5 THR C . 16507 1 22 . 1 1 5 5 THR CA C 13 62.845 0.1 . 1 . . . . 5 THR CA . 16507 1 23 . 1 1 5 5 THR CB C 13 70.409 0.1 . 1 . . . . 5 THR CB . 16507 1 24 . 1 1 5 5 THR CG2 C 13 21.879 0.1 . 1 . . . . 5 THR CG2 . 16507 1 25 . 1 1 5 5 THR N N 15 113.630 0.1 . 1 . . . . 5 THR N . 16507 1 26 . 1 1 6 6 ARG H H 1 8.299 0.02 . 1 . . . . 6 ARG H . 16507 1 27 . 1 1 6 6 ARG HA H 1 4.918 0.02 . 1 . . . . 6 ARG HA . 16507 1 28 . 1 1 6 6 ARG HB2 H 1 1.364 0.02 . 2 . . . . 6 ARG HB2 . 16507 1 29 . 1 1 6 6 ARG HB3 H 1 1.520 0.02 . 2 . . . . 6 ARG HB3 . 16507 1 30 . 1 1 6 6 ARG HD2 H 1 3.086 0.02 . 2 . . . . 6 ARG HD2 . 16507 1 31 . 1 1 6 6 ARG HD3 H 1 2.941 0.02 . 2 . . . . 6 ARG HD3 . 16507 1 32 . 1 1 6 6 ARG HE H 1 7.378 0.02 . 1 . . . . 6 ARG HE . 16507 1 33 . 1 1 6 6 ARG HG2 H 1 1.350 0.02 . 2 . . . . 6 ARG HG2 . 16507 1 34 . 1 1 6 6 ARG HG3 H 1 1.350 0.02 . 2 . . . . 6 ARG HG3 . 16507 1 35 . 1 1 6 6 ARG C C 13 174.439 0.1 . 1 . . . . 6 ARG C . 16507 1 36 . 1 1 6 6 ARG CA C 13 55.341 0.1 . 1 . . . . 6 ARG CA . 16507 1 37 . 1 1 6 6 ARG CB C 13 33.722 0.1 . 1 . . . . 6 ARG CB . 16507 1 38 . 1 1 6 6 ARG CD C 13 44.497 0.1 . 1 . . . . 6 ARG CD . 16507 1 39 . 1 1 6 6 ARG CG C 13 27.472 0.1 . 1 . . . . 6 ARG CG . 16507 1 40 . 1 1 6 6 ARG N N 15 122.646 0.1 . 1 . . . . 6 ARG N . 16507 1 41 . 1 1 6 6 ARG NE N 15 117.670 0.1 . 1 . . . . 6 ARG NE . 16507 1 42 . 1 1 7 7 GLU H H 1 8.753 0.02 . 1 . . . . 7 GLU H . 16507 1 43 . 1 1 7 7 GLU HA H 1 4.568 0.02 . 1 . . . . 7 GLU HA . 16507 1 44 . 1 1 7 7 GLU HB2 H 1 1.836 0.02 . 2 . . . . 7 GLU HB2 . 16507 1 45 . 1 1 7 7 GLU HB3 H 1 1.836 0.02 . 2 . . . . 7 GLU HB3 . 16507 1 46 . 1 1 7 7 GLU HG2 H 1 2.086 0.02 . 2 . . . . 7 GLU HG2 . 16507 1 47 . 1 1 7 7 GLU HG3 H 1 2.086 0.02 . 2 . . . . 7 GLU HG3 . 16507 1 48 . 1 1 7 7 GLU C C 13 174.618 0.1 . 1 . . . . 7 GLU C . 16507 1 49 . 1 1 7 7 GLU CA C 13 54.400 0.1 . 1 . . . . 7 GLU CA . 16507 1 50 . 1 1 7 7 GLU CB C 13 32.787 0.1 . 1 . . . . 7 GLU CB . 16507 1 51 . 1 1 7 7 GLU CG C 13 35.840 0.1 . 1 . . . . 7 GLU CG . 16507 1 52 . 1 1 7 7 GLU N N 15 121.115 0.1 . 1 . . . . 7 GLU N . 16507 1 53 . 1 1 8 8 PHE H H 1 8.533 0.02 . 1 . . . . 8 PHE H . 16507 1 54 . 1 1 8 8 PHE HA H 1 5.610 0.02 . 1 . . . . 8 PHE HA . 16507 1 55 . 1 1 8 8 PHE HB2 H 1 2.872 0.02 . 2 . . . . 8 PHE HB2 . 16507 1 56 . 1 1 8 8 PHE HB3 H 1 2.686 0.02 . 2 . . . . 8 PHE HB3 . 16507 1 57 . 1 1 8 8 PHE HD1 H 1 7.070 0.02 . 1 . . . . 8 PHE HD1 . 16507 1 58 . 1 1 8 8 PHE HD2 H 1 7.070 0.02 . 1 . . . . 8 PHE HD2 . 16507 1 59 . 1 1 8 8 PHE HE1 H 1 7.129 0.02 . 1 . . . . 8 PHE HE1 . 16507 1 60 . 1 1 8 8 PHE HE2 H 1 7.129 0.02 . 1 . . . . 8 PHE HE2 . 16507 1 61 . 1 1 8 8 PHE HZ H 1 7.122 0.02 . 1 . . . . 8 PHE HZ . 16507 1 62 . 1 1 8 8 PHE C C 13 176.000 0.1 . 1 . . . . 8 PHE C . 16507 1 63 . 1 1 8 8 PHE CA C 13 56.130 0.1 . 1 . . . . 8 PHE CA . 16507 1 64 . 1 1 8 8 PHE CB C 13 40.062 0.1 . 1 . . . . 8 PHE CB . 16507 1 65 . 1 1 8 8 PHE CD1 C 13 131.271 0.1 . 1 . . . . 8 PHE CD1 . 16507 1 66 . 1 1 8 8 PHE CE1 C 13 131.271 0.1 . 1 . . . . 8 PHE CE1 . 16507 1 67 . 1 1 8 8 PHE CZ C 13 129.200 0.1 . 1 . . . . 8 PHE CZ . 16507 1 68 . 1 1 8 8 PHE N N 15 121.855 0.1 . 1 . . . . 8 PHE N . 16507 1 69 . 1 1 9 9 LEU H H 1 8.960 0.02 . 1 . . . . 9 LEU H . 16507 1 70 . 1 1 9 9 LEU HA H 1 4.596 0.02 . 1 . . . . 9 LEU HA . 16507 1 71 . 1 1 9 9 LEU HB2 H 1 1.020 0.02 . 2 . . . . 9 LEU HB2 . 16507 1 72 . 1 1 9 9 LEU HB3 H 1 1.020 0.02 . 2 . . . . 9 LEU HB3 . 16507 1 73 . 1 1 9 9 LEU HD11 H 1 0.848 0.02 . 2 . . . . 9 LEU QD1 . 16507 1 74 . 1 1 9 9 LEU HD12 H 1 0.848 0.02 . 2 . . . . 9 LEU QD1 . 16507 1 75 . 1 1 9 9 LEU HD13 H 1 0.848 0.02 . 2 . . . . 9 LEU QD1 . 16507 1 76 . 1 1 9 9 LEU HD21 H 1 0.781 0.02 . 2 . . . . 9 LEU QD2 . 16507 1 77 . 1 1 9 9 LEU HD22 H 1 0.781 0.02 . 2 . . . . 9 LEU QD2 . 16507 1 78 . 1 1 9 9 LEU HD23 H 1 0.781 0.02 . 2 . . . . 9 LEU QD2 . 16507 1 79 . 1 1 9 9 LEU HG H 1 1.360 0.02 . 1 . . . . 9 LEU HG . 16507 1 80 . 1 1 9 9 LEU C C 13 174.570 0.1 . 1 . . . . 9 LEU C . 16507 1 81 . 1 1 9 9 LEU CA C 13 54.149 0.1 . 1 . . . . 9 LEU CA . 16507 1 82 . 1 1 9 9 LEU CB C 13 45.778 0.1 . 1 . . . . 9 LEU CB . 16507 1 83 . 1 1 9 9 LEU CD1 C 13 24.051 0.1 . 1 . . . . 9 LEU CD1 . 16507 1 84 . 1 1 9 9 LEU CD2 C 13 26.119 0.1 . 1 . . . . 9 LEU CD2 . 16507 1 85 . 1 1 9 9 LEU CG C 13 27.774 0.1 . 1 . . . . 9 LEU CG . 16507 1 86 . 1 1 9 9 LEU N N 15 125.295 0.1 . 1 . . . . 9 LEU N . 16507 1 87 . 1 1 10 10 THR H H 1 8.079 0.02 . 1 . . . . 10 THR H . 16507 1 88 . 1 1 10 10 THR HA H 1 4.875 0.02 . 1 . . . . 10 THR HA . 16507 1 89 . 1 1 10 10 THR HB H 1 3.847 0.02 . 1 . . . . 10 THR HB . 16507 1 90 . 1 1 10 10 THR HG21 H 1 0.980 0.02 . 1 . . . . 10 THR QG2 . 16507 1 91 . 1 1 10 10 THR HG22 H 1 0.980 0.02 . 1 . . . . 10 THR QG2 . 16507 1 92 . 1 1 10 10 THR HG23 H 1 0.980 0.02 . 1 . . . . 10 THR QG2 . 16507 1 93 . 1 1 10 10 THR C C 13 174.031 0.1 . 1 . . . . 10 THR C . 16507 1 94 . 1 1 10 10 THR CA C 13 61.370 0.1 . 1 . . . . 10 THR CA . 16507 1 95 . 1 1 10 10 THR CB C 13 70.409 0.1 . 1 . . . . 10 THR CB . 16507 1 96 . 1 1 10 10 THR CG2 C 13 20.742 0.1 . 1 . . . . 10 THR CG2 . 16507 1 97 . 1 1 10 10 THR N N 15 116.552 0.1 . 1 . . . . 10 THR N . 16507 1 98 . 1 1 11 11 PHE H H 1 9.119 0.02 . 1 . . . . 11 PHE H . 16507 1 99 . 1 1 11 11 PHE HA H 1 5.084 0.02 . 1 . . . . 11 PHE HA . 16507 1 100 . 1 1 11 11 PHE HB2 H 1 2.725 0.02 . 2 . . . . 11 PHE HB2 . 16507 1 101 . 1 1 11 11 PHE HB3 H 1 3.140 0.02 . 2 . . . . 11 PHE HB3 . 16507 1 102 . 1 1 11 11 PHE HD1 H 1 6.916 0.02 . 1 . . . . 11 PHE HD1 . 16507 1 103 . 1 1 11 11 PHE HD2 H 1 6.916 0.02 . 1 . . . . 11 PHE HD2 . 16507 1 104 . 1 1 11 11 PHE HE1 H 1 7.105 0.02 . 1 . . . . 11 PHE HE1 . 16507 1 105 . 1 1 11 11 PHE HE2 H 1 7.105 0.02 . 1 . . . . 11 PHE HE2 . 16507 1 106 . 1 1 11 11 PHE C C 13 174.129 0.1 . 1 . . . . 11 PHE C . 16507 1 107 . 1 1 11 11 PHE CA C 13 54.222 0.1 . 1 . . . . 11 PHE CA . 16507 1 108 . 1 1 11 11 PHE CB C 13 42.348 0.1 . 1 . . . . 11 PHE CB . 16507 1 109 . 1 1 11 11 PHE CD1 C 13 131.012 0.1 . 1 . . . . 11 PHE CD1 . 16507 1 110 . 1 1 11 11 PHE CE1 C 13 131.012 0.1 . 1 . . . . 11 PHE CE1 . 16507 1 111 . 1 1 11 11 PHE N N 15 125.475 0.1 . 1 . . . . 11 PHE N . 16507 1 112 . 1 1 12 12 GLU H H 1 8.406 0.02 . 1 . . . . 12 GLU H . 16507 1 113 . 1 1 12 12 GLU HA H 1 4.993 0.02 . 1 . . . . 12 GLU HA . 16507 1 114 . 1 1 12 12 GLU HB2 H 1 2.043 0.02 . 2 . . . . 12 GLU HB2 . 16507 1 115 . 1 1 12 12 GLU HB3 H 1 1.929 0.02 . 2 . . . . 12 GLU HB3 . 16507 1 116 . 1 1 12 12 GLU HG2 H 1 2.230 0.02 . 2 . . . . 12 GLU HG2 . 16507 1 117 . 1 1 12 12 GLU HG3 H 1 2.047 0.02 . 2 . . . . 12 GLU HG3 . 16507 1 118 . 1 1 12 12 GLU C C 13 175.239 0.1 . 1 . . . . 12 GLU C . 16507 1 119 . 1 1 12 12 GLU CA C 13 55.722 0.1 . 1 . . . . 12 GLU CA . 16507 1 120 . 1 1 12 12 GLU CB C 13 29.461 0.1 . 1 . . . . 12 GLU CB . 16507 1 121 . 1 1 12 12 GLU CG C 13 36.991 0.1 . 1 . . . . 12 GLU CG . 16507 1 122 . 1 1 12 12 GLU N N 15 123.476 0.1 . 1 . . . . 12 GLU N . 16507 1 123 . 1 1 13 13 VAL H H 1 8.947 0.02 . 1 . . . . 13 VAL H . 16507 1 124 . 1 1 13 13 VAL HA H 1 4.386 0.02 . 1 . . . . 13 VAL HA . 16507 1 125 . 1 1 13 13 VAL HB H 1 1.952 0.02 . 1 . . . . 13 VAL HB . 16507 1 126 . 1 1 13 13 VAL HG11 H 1 0.722 0.02 . 2 . . . . 13 VAL QG1 . 16507 1 127 . 1 1 13 13 VAL HG12 H 1 0.722 0.02 . 2 . . . . 13 VAL QG1 . 16507 1 128 . 1 1 13 13 VAL HG13 H 1 0.722 0.02 . 2 . . . . 13 VAL QG1 . 16507 1 129 . 1 1 13 13 VAL HG21 H 1 0.828 0.02 . 2 . . . . 13 VAL QG2 . 16507 1 130 . 1 1 13 13 VAL HG22 H 1 0.828 0.02 . 2 . . . . 13 VAL QG2 . 16507 1 131 . 1 1 13 13 VAL HG23 H 1 0.828 0.02 . 2 . . . . 13 VAL QG2 . 16507 1 132 . 1 1 13 13 VAL CA C 13 59.987 0.1 . 1 . . . . 13 VAL CA . 16507 1 133 . 1 1 13 13 VAL CB C 13 34.426 0.1 . 1 . . . . 13 VAL CB . 16507 1 134 . 1 1 13 13 VAL CG1 C 13 21.14 0.1 . 1 . . . . 13 VAL CG1 . 16507 1 135 . 1 1 13 13 VAL CG2 C 13 21.14 0.1 . 1 . . . . 13 VAL CG2 . 16507 1 136 . 1 1 13 13 VAL N N 15 127.415 0.1 . 1 . . . . 13 VAL N . 16507 1 137 . 1 1 14 14 PRO HA H 1 4.757 0.02 . 1 . . . . 14 PRO HA . 16507 1 138 . 1 1 14 14 PRO HB2 H 1 1.898 0.02 . 2 . . . . 14 PRO HB2 . 16507 1 139 . 1 1 14 14 PRO HB3 H 1 2.329 0.02 . 2 . . . . 14 PRO HB3 . 16507 1 140 . 1 1 14 14 PRO HD2 H 1 3.822 0.02 . 2 . . . . 14 PRO HD2 . 16507 1 141 . 1 1 14 14 PRO HD3 H 1 4.178 0.02 . 2 . . . . 14 PRO HD3 . 16507 1 142 . 1 1 14 14 PRO HG2 H 1 1.950 0.02 . 2 . . . . 14 PRO HG2 . 16507 1 143 . 1 1 14 14 PRO HG3 H 1 2.186 0.02 . 2 . . . . 14 PRO HG3 . 16507 1 144 . 1 1 14 14 PRO C C 13 176.871 0.1 . 1 . . . . 14 PRO C . 16507 1 145 . 1 1 14 14 PRO CA C 13 63.009 0.1 . 1 . . . . 14 PRO CA . 16507 1 146 . 1 1 14 14 PRO CB C 13 32.683 0.1 . 1 . . . . 14 PRO CB . 16507 1 147 . 1 1 14 14 PRO CD C 13 52.221 0.1 . 1 . . . . 14 PRO CD . 16507 1 148 . 1 1 14 14 PRO CG C 13 27.954 0.1 . 1 . . . . 14 PRO CG . 16507 1 149 . 1 1 15 15 LEU H H 1 8.014 0.02 . 1 . . . . 15 LEU H . 16507 1 150 . 1 1 15 15 LEU HA H 1 4.394 0.02 . 1 . . . . 15 LEU HA . 16507 1 151 . 1 1 15 15 LEU HB2 H 1 1.453 0.02 . 2 . . . . 15 LEU HB2 . 16507 1 152 . 1 1 15 15 LEU HB3 H 1 1.523 0.02 . 2 . . . . 15 LEU HB3 . 16507 1 153 . 1 1 15 15 LEU HD11 H 1 0.634 0.02 . 2 . . . . 15 LEU QD1 . 16507 1 154 . 1 1 15 15 LEU HD12 H 1 0.634 0.02 . 2 . . . . 15 LEU QD1 . 16507 1 155 . 1 1 15 15 LEU HD13 H 1 0.634 0.02 . 2 . . . . 15 LEU QD1 . 16507 1 156 . 1 1 15 15 LEU HD21 H 1 0.733 0.02 . 2 . . . . 15 LEU QD2 . 16507 1 157 . 1 1 15 15 LEU HD22 H 1 0.733 0.02 . 2 . . . . 15 LEU QD2 . 16507 1 158 . 1 1 15 15 LEU HD23 H 1 0.733 0.02 . 2 . . . . 15 LEU QD2 . 16507 1 159 . 1 1 15 15 LEU C C 13 177.246 0.1 . 1 . . . . 15 LEU C . 16507 1 160 . 1 1 15 15 LEU CA C 13 53.922 0.1 . 1 . . . . 15 LEU CA . 16507 1 161 . 1 1 15 15 LEU CB C 13 42.972 0.1 . 1 . . . . 15 LEU CB . 16507 1 162 . 1 1 15 15 LEU CD1 C 13 23.327 0.1 . 1 . . . . 15 LEU CD1 . 16507 1 163 . 1 1 15 15 LEU CD2 C 13 25.809 0.1 . 1 . . . . 15 LEU CD2 . 16507 1 164 . 1 1 15 15 LEU N N 15 122.121 0.1 . 1 . . . . 15 LEU N . 16507 1 165 . 1 1 16 16 ASN H H 1 8.504 0.02 . 1 . . . . 16 ASN H . 16507 1 166 . 1 1 16 16 ASN HA H 1 4.692 0.02 . 1 . . . . 16 ASN HA . 16507 1 167 . 1 1 16 16 ASN HB2 H 1 2.892 0.02 . 2 . . . . 16 ASN HB2 . 16507 1 168 . 1 1 16 16 ASN HB3 H 1 2.892 0.02 . 2 . . . . 16 ASN HB3 . 16507 1 169 . 1 1 16 16 ASN HD21 H 1 7.638 0.02 . 2 . . . . 16 ASN HD21 . 16507 1 170 . 1 1 16 16 ASN HD22 H 1 6.832 0.02 . 2 . . . . 16 ASN HD22 . 16507 1 171 . 1 1 16 16 ASN C C 13 175.679 0.1 . 1 . . . . 16 ASN C . 16507 1 172 . 1 1 16 16 ASN CA C 13 53.764 0.1 . 1 . . . . 16 ASN CA . 16507 1 173 . 1 1 16 16 ASN CB C 13 39.230 0.1 . 1 . . . . 16 ASN CB . 16507 1 174 . 1 1 16 16 ASN N N 15 118.347 0.1 . 1 . . . . 16 ASN N . 16507 1 175 . 1 1 16 16 ASN ND2 N 15 113.045 0.1 . 1 . . . . 16 ASN ND2 . 16507 1 176 . 1 1 17 17 ASP H H 1 8.505 0.02 . 1 . . . . 17 ASP H . 16507 1 177 . 1 1 17 17 ASP HA H 1 4.571 0.02 . 1 . . . . 17 ASP HA . 16507 1 178 . 1 1 17 17 ASP HB2 H 1 2.699 0.02 . 2 . . . . 17 ASP HB2 . 16507 1 179 . 1 1 17 17 ASP HB3 H 1 2.699 0.02 . 2 . . . . 17 ASP HB3 . 16507 1 180 . 1 1 17 17 ASP C C 13 176.446 0.1 . 1 . . . . 17 ASP C . 16507 1 181 . 1 1 17 17 ASP CA C 13 55.163 0.1 . 1 . . . . 17 ASP CA . 16507 1 182 . 1 1 17 17 ASP CB C 13 41.309 0.1 . 1 . . . . 17 ASP CB . 16507 1 183 . 1 1 17 17 ASP N N 15 120.968 0.1 . 1 . . . . 17 ASP N . 16507 1 184 . 1 1 18 18 SER H H 1 8.132 0.02 . 1 . . . . 18 SER H . 16507 1 185 . 1 1 18 18 SER HA H 1 4.416 0.02 . 1 . . . . 18 SER HA . 16507 1 186 . 1 1 18 18 SER HB2 H 1 3.923 0.02 . 2 . . . . 18 SER HB2 . 16507 1 187 . 1 1 18 18 SER HB3 H 1 3.923 0.02 . 2 . . . . 18 SER HB3 . 16507 1 188 . 1 1 18 18 SER C C 13 175.190 0.1 . 1 . . . . 18 SER C . 16507 1 189 . 1 1 18 18 SER CA C 13 58.693 0.1 . 1 . . . . 18 SER CA . 16507 1 190 . 1 1 18 18 SER CB C 13 64.381 0.1 . 1 . . . . 18 SER CB . 16507 1 191 . 1 1 18 18 SER N N 15 114.599 0.1 . 1 . . . . 18 SER N . 16507 1 192 . 1 1 19 19 GLY H H 1 8.401 0.02 . 1 . . . . 19 GLY H . 16507 1 193 . 1 1 19 19 GLY HA2 H 1 3.915 0.02 . 2 . . . . 19 GLY HA2 . 16507 1 194 . 1 1 19 19 GLY HA3 H 1 4.093 0.02 . 2 . . . . 19 GLY HA3 . 16507 1 195 . 1 1 19 19 GLY C C 13 174.684 0.1 . 1 . . . . 19 GLY C . 16507 1 196 . 1 1 19 19 GLY CA C 13 46.074 0.1 . 1 . . . . 19 GLY CA . 16507 1 197 . 1 1 19 19 GLY N N 15 110.436 0.1 . 1 . . . . 19 GLY N . 16507 1 198 . 1 1 20 20 SER H H 1 8.160 0.02 . 1 . . . . 20 SER H . 16507 1 199 . 1 1 20 20 SER HA H 1 4.433 0.02 . 1 . . . . 20 SER HA . 16507 1 200 . 1 1 20 20 SER HB2 H 1 3.864 0.02 . 2 . . . . 20 SER HB2 . 16507 1 201 . 1 1 20 20 SER HB3 H 1 3.864 0.02 . 2 . . . . 20 SER HB3 . 16507 1 202 . 1 1 20 20 SER C C 13 174.276 0.1 . 1 . . . . 20 SER C . 16507 1 203 . 1 1 20 20 SER CA C 13 58.369 0.1 . 1 . . . . 20 SER CA . 16507 1 204 . 1 1 20 20 SER CB C 13 64.173 0.1 . 1 . . . . 20 SER CB . 16507 1 205 . 1 1 20 20 SER N N 15 116.477 0.1 . 1 . . . . 20 SER N . 16507 1 206 . 1 1 21 21 ALA H H 1 8.307 0.02 . 1 . . . . 21 ALA H . 16507 1 207 . 1 1 21 21 ALA HA H 1 4.408 0.02 . 1 . . . . 21 ALA HA . 16507 1 208 . 1 1 21 21 ALA HB1 H 1 1.394 0.02 . 1 . . . . 21 ALA QB . 16507 1 209 . 1 1 21 21 ALA HB2 H 1 1.394 0.02 . 1 . . . . 21 ALA QB . 16507 1 210 . 1 1 21 21 ALA HB3 H 1 1.394 0.02 . 1 . . . . 21 ALA QB . 16507 1 211 . 1 1 21 21 ALA C C 13 177.850 0.1 . 1 . . . . 21 ALA C . 16507 1 212 . 1 1 21 21 ALA CA C 13 52.645 0.1 . 1 . . . . 21 ALA CA . 16507 1 213 . 1 1 21 21 ALA CB C 13 20.003 0.1 . 1 . . . . 21 ALA CB . 16507 1 214 . 1 1 21 21 ALA N N 15 125.420 0.1 . 1 . . . . 21 ALA N . 16507 1 215 . 1 1 22 22 GLY H H 1 8.169 0.02 . 1 . . . . 22 GLY H . 16507 1 216 . 1 1 22 22 GLY HA2 H 1 3.774 0.02 . 2 . . . . 22 GLY HA2 . 16507 1 217 . 1 1 22 22 GLY HA3 H 1 4.077 0.02 . 2 . . . . 22 GLY HA3 . 16507 1 218 . 1 1 22 22 GLY C C 13 174.896 0.1 . 1 . . . . 22 GLY C . 16507 1 219 . 1 1 22 22 GLY CA C 13 45.242 0.1 . 1 . . . . 22 GLY CA . 16507 1 220 . 1 1 22 22 GLY N N 15 106.928 0.1 . 1 . . . . 22 GLY N . 16507 1 221 . 1 1 23 23 LEU H H 1 11.192 0.02 . 1 . . . . 23 LEU H . 16507 1 222 . 1 1 23 23 LEU HA H 1 4.200 0.02 . 1 . . . . 23 LEU HA . 16507 1 223 . 1 1 23 23 LEU HB2 H 1 1.631 0.02 . 2 . . . . 23 LEU HB2 . 16507 1 224 . 1 1 23 23 LEU HB3 H 1 1.481 0.02 . 2 . . . . 23 LEU HB3 . 16507 1 225 . 1 1 23 23 LEU HD11 H 1 0.810 0.02 . 2 . . . . 23 LEU QD1 . 16507 1 226 . 1 1 23 23 LEU HD12 H 1 0.810 0.02 . 2 . . . . 23 LEU QD1 . 16507 1 227 . 1 1 23 23 LEU HD13 H 1 0.810 0.02 . 2 . . . . 23 LEU QD1 . 16507 1 228 . 1 1 23 23 LEU HD21 H 1 0.729 0.02 . 2 . . . . 23 LEU QD2 . 16507 1 229 . 1 1 23 23 LEU HD22 H 1 0.729 0.02 . 2 . . . . 23 LEU QD2 . 16507 1 230 . 1 1 23 23 LEU HD23 H 1 0.729 0.02 . 2 . . . . 23 LEU QD2 . 16507 1 231 . 1 1 23 23 LEU C C 13 177.621 0.1 . 1 . . . . 23 LEU C . 16507 1 232 . 1 1 23 23 LEU CA C 13 56.664 0.1 . 1 . . . . 23 LEU CA . 16507 1 233 . 1 1 23 23 LEU CB C 13 44.115 0.1 . 1 . . . . 23 LEU CB . 16507 1 234 . 1 1 23 23 LEU CD1 C 13 25.042 0.1 . 1 . . . . 23 LEU CD1 . 16507 1 235 . 1 1 23 23 LEU CD2 C 13 25.085 0.1 . 1 . . . . 23 LEU CD2 . 16507 1 236 . 1 1 23 23 LEU N N 15 126.878 0.1 . 1 . . . . 23 LEU N . 16507 1 237 . 1 1 24 24 GLY H H 1 10.084 0.02 . 1 . . . . 24 GLY H . 16507 1 238 . 1 1 24 24 GLY HA2 H 1 4.055 0.02 . 2 . . . . 24 GLY HA2 . 16507 1 239 . 1 1 24 24 GLY HA3 H 1 3.864 0.02 . 2 . . . . 24 GLY HA3 . 16507 1 240 . 1 1 24 24 GLY C C 13 175.092 0.1 . 1 . . . . 24 GLY C . 16507 1 241 . 1 1 24 24 GLY CA C 13 47.692 0.1 . 1 . . . . 24 GLY CA . 16507 1 242 . 1 1 24 24 GLY N N 15 111.990 0.1 . 1 . . . . 24 GLY N . 16507 1 243 . 1 1 25 25 VAL H H 1 8.158 0.02 . 1 . . . . 25 VAL H . 16507 1 244 . 1 1 25 25 VAL HA H 1 4.798 0.02 . 1 . . . . 25 VAL HA . 16507 1 245 . 1 1 25 25 VAL HB H 1 2.002 0.02 . 1 . . . . 25 VAL HB . 16507 1 246 . 1 1 25 25 VAL HG11 H 1 0.651 0.02 . 2 . . . . 25 VAL QG1 . 16507 1 247 . 1 1 25 25 VAL HG12 H 1 0.651 0.02 . 2 . . . . 25 VAL QG1 . 16507 1 248 . 1 1 25 25 VAL HG13 H 1 0.651 0.02 . 2 . . . . 25 VAL QG1 . 16507 1 249 . 1 1 25 25 VAL HG21 H 1 0.834 0.02 . 2 . . . . 25 VAL QG2 . 16507 1 250 . 1 1 25 25 VAL HG22 H 1 0.834 0.02 . 2 . . . . 25 VAL QG2 . 16507 1 251 . 1 1 25 25 VAL HG23 H 1 0.834 0.02 . 2 . . . . 25 VAL QG2 . 16507 1 252 . 1 1 25 25 VAL C C 13 173.574 0.1 . 1 . . . . 25 VAL C . 16507 1 253 . 1 1 25 25 VAL CA C 13 59.946 0.1 . 1 . . . . 25 VAL CA . 16507 1 254 . 1 1 25 25 VAL CB C 13 36.424 0.1 . 1 . . . . 25 VAL CB . 16507 1 255 . 1 1 25 25 VAL CG1 C 13 22.500 0.1 . 1 . . . . 25 VAL CG1 . 16507 1 256 . 1 1 25 25 VAL CG2 C 13 23.327 0.1 . 1 . . . . 25 VAL CG2 . 16507 1 257 . 1 1 25 25 VAL N N 15 117.562 0.1 . 1 . . . . 25 VAL N . 16507 1 258 . 1 1 26 26 SER H H 1 8.716 0.02 . 1 . . . . 26 SER H . 16507 1 259 . 1 1 26 26 SER HA H 1 5.625 0.02 . 1 . . . . 26 SER HA . 16507 1 260 . 1 1 26 26 SER HB2 H 1 3.718 0.02 . 2 . . . . 26 SER HB2 . 16507 1 261 . 1 1 26 26 SER HB3 H 1 3.718 0.02 . 2 . . . . 26 SER HB3 . 16507 1 262 . 1 1 26 26 SER C C 13 175.353 0.1 . 1 . . . . 26 SER C . 16507 1 263 . 1 1 26 26 SER CA C 13 56.333 0.1 . 1 . . . . 26 SER CA . 16507 1 264 . 1 1 26 26 SER CB C 13 65.628 0.1 . 1 . . . . 26 SER CB . 16507 1 265 . 1 1 26 26 SER N N 15 118.413 0.1 . 1 . . . . 26 SER N . 16507 1 266 . 1 1 27 27 VAL H H 1 9.366 0.02 . 1 . . . . 27 VAL H . 16507 1 267 . 1 1 27 27 VAL HA H 1 5.319 0.02 . 1 . . . . 27 VAL HA . 16507 1 268 . 1 1 27 27 VAL HB H 1 1.942 0.02 . 1 . . . . 27 VAL HB . 16507 1 269 . 1 1 27 27 VAL HG11 H 1 0.786 0.02 . 2 . . . . 27 VAL QG1 . 16507 1 270 . 1 1 27 27 VAL HG12 H 1 0.786 0.02 . 2 . . . . 27 VAL QG1 . 16507 1 271 . 1 1 27 27 VAL HG13 H 1 0.786 0.02 . 2 . . . . 27 VAL QG1 . 16507 1 272 . 1 1 27 27 VAL HG21 H 1 0.754 0.02 . 2 . . . . 27 VAL QG2 . 16507 1 273 . 1 1 27 27 VAL HG22 H 1 0.754 0.02 . 2 . . . . 27 VAL QG2 . 16507 1 274 . 1 1 27 27 VAL HG23 H 1 0.754 0.02 . 2 . . . . 27 VAL QG2 . 16507 1 275 . 1 1 27 27 VAL C C 13 173.851 0.1 . 1 . . . . 27 VAL C . 16507 1 276 . 1 1 27 27 VAL CA C 13 59.056 0.1 . 1 . . . . 27 VAL CA . 16507 1 277 . 1 1 27 27 VAL CB C 13 35.281 0.1 . 1 . . . . 27 VAL CB . 16507 1 278 . 1 1 27 27 VAL CG1 C 13 19.501 0.1 . 1 . . . . 27 VAL CG1 . 16507 1 279 . 1 1 27 27 VAL CG2 C 13 22.500 0.1 . 1 . . . . 27 VAL CG2 . 16507 1 280 . 1 1 27 27 VAL N N 15 120.266 0.1 . 1 . . . . 27 VAL N . 16507 1 281 . 1 1 28 28 LYS H H 1 8.907 0.02 . 1 . . . . 28 LYS H . 16507 1 282 . 1 1 28 28 LYS HA H 1 4.939 0.02 . 1 . . . . 28 LYS HA . 16507 1 283 . 1 1 28 28 LYS HB2 H 1 1.726 0.02 . 2 . . . . 28 LYS HB2 . 16507 1 284 . 1 1 28 28 LYS HB3 H 1 1.726 0.02 . 2 . . . . 28 LYS HB3 . 16507 1 285 . 1 1 28 28 LYS HD2 H 1 1.613 0.02 . 2 . . . . 28 LYS HD2 . 16507 1 286 . 1 1 28 28 LYS HD3 H 1 1.613 0.02 . 2 . . . . 28 LYS HD3 . 16507 1 287 . 1 1 28 28 LYS HE2 H 1 2.977 0.02 . 2 . . . . 28 LYS HE2 . 16507 1 288 . 1 1 28 28 LYS HE3 H 1 2.977 0.02 . 2 . . . . 28 LYS HE3 . 16507 1 289 . 1 1 28 28 LYS HG2 H 1 1.551 0.02 . 2 . . . . 28 LYS HG2 . 16507 1 290 . 1 1 28 28 LYS HG3 H 1 1.370 0.02 . 2 . . . . 28 LYS HG3 . 16507 1 291 . 1 1 28 28 LYS C C 13 175.516 0.1 . 1 . . . . 28 LYS C . 16507 1 292 . 1 1 28 28 LYS CA C 13 55.087 0.1 . 1 . . . . 28 LYS CA . 16507 1 293 . 1 1 28 28 LYS CB C 13 37.775 0.1 . 1 . . . . 28 LYS CB . 16507 1 294 . 1 1 28 28 LYS CD C 13 29.945 0.1 . 1 . . . . 28 LYS CD . 16507 1 295 . 1 1 28 28 LYS CE C 13 42.191 0.1 . 1 . . . . 28 LYS CE . 16507 1 296 . 1 1 28 28 LYS CG C 13 24.377 0.1 . 1 . . . . 28 LYS CG . 16507 1 297 . 1 1 28 28 LYS N N 15 119.239 0.1 . 1 . . . . 28 LYS N . 16507 1 298 . 1 1 29 29 GLY H H 1 9.018 0.02 . 1 . . . . 29 GLY H . 16507 1 299 . 1 1 29 29 GLY HA2 H 1 5.076 0.02 . 2 . . . . 29 GLY HA2 . 16507 1 300 . 1 1 29 29 GLY HA3 H 1 3.521 0.02 . 2 . . . . 29 GLY HA3 . 16507 1 301 . 1 1 29 29 GLY C C 13 173.264 0.1 . 1 . . . . 29 GLY C . 16507 1 302 . 1 1 29 29 GLY CA C 13 45.427 0.1 . 1 . . . . 29 GLY CA . 16507 1 303 . 1 1 29 29 GLY N N 15 112.177 0.1 . 1 . . . . 29 GLY N . 16507 1 304 . 1 1 30 30 ASN H H 1 8.715 0.02 . 1 . . . . 30 ASN H . 16507 1 305 . 1 1 30 30 ASN HA H 1 5.282 0.02 . 1 . . . . 30 ASN HA . 16507 1 306 . 1 1 30 30 ASN HB2 H 1 2.423 0.02 . 2 . . . . 30 ASN HB2 . 16507 1 307 . 1 1 30 30 ASN HB3 H 1 2.500 0.02 . 2 . . . . 30 ASN HB3 . 16507 1 308 . 1 1 30 30 ASN HD21 H 1 6.413 0.02 . 2 . . . . 30 ASN HD21 . 16507 1 309 . 1 1 30 30 ASN HD22 H 1 5.934 0.02 . 2 . . . . 30 ASN HD22 . 16507 1 310 . 1 1 30 30 ASN C C 13 175.565 0.1 . 1 . . . . 30 ASN C . 16507 1 311 . 1 1 30 30 ASN CA C 13 51.627 0.1 . 1 . . . . 30 ASN CA . 16507 1 312 . 1 1 30 30 ASN CB C 13 41.844 0.1 . 1 . . . . 30 ASN CB . 16507 1 313 . 1 1 30 30 ASN N N 15 121.014 0.1 . 1 . . . . 30 ASN N . 16507 1 314 . 1 1 30 30 ASN ND2 N 15 108.935 0.1 . 1 . . . . 30 ASN ND2 . 16507 1 315 . 1 1 31 31 ARG H H 1 8.965 0.02 . 1 . . . . 31 ARG H . 16507 1 316 . 1 1 31 31 ARG HA H 1 5.121 0.02 . 1 . . . . 31 ARG HA . 16507 1 317 . 1 1 31 31 ARG HB2 H 1 1.614 0.02 . 2 . . . . 31 ARG HB2 . 16507 1 318 . 1 1 31 31 ARG HB3 H 1 1.614 0.02 . 2 . . . . 31 ARG HB3 . 16507 1 319 . 1 1 31 31 ARG HD2 H 1 3.068 0.02 . 2 . . . . 31 ARG HD2 . 16507 1 320 . 1 1 31 31 ARG HD3 H 1 3.068 0.02 . 2 . . . . 31 ARG HD3 . 16507 1 321 . 1 1 31 31 ARG HG2 H 1 1.473 0.02 . 2 . . . . 31 ARG HG2 . 16507 1 322 . 1 1 31 31 ARG HG3 H 1 1.549 0.02 . 2 . . . . 31 ARG HG3 . 16507 1 323 . 1 1 31 31 ARG C C 13 175.304 0.1 . 1 . . . . 31 ARG C . 16507 1 324 . 1 1 31 31 ARG CA C 13 55.163 0.1 . 1 . . . . 31 ARG CA . 16507 1 325 . 1 1 31 31 ARG CB C 13 34.553 0.1 . 1 . . . . 31 ARG CB . 16507 1 326 . 1 1 31 31 ARG CD C 13 43.809 0.1 . 1 . . . . 31 ARG CD . 16507 1 327 . 1 1 31 31 ARG CG C 13 27.265 0.1 . 1 . . . . 31 ARG CG . 16507 1 328 . 1 1 31 31 ARG N N 15 124.637 0.1 . 1 . . . . 31 ARG N . 16507 1 329 . 1 1 32 32 SER H H 1 8.975 0.02 . 1 . . . . 32 SER H . 16507 1 330 . 1 1 32 32 SER HA H 1 4.511 0.02 . 1 . . . . 32 SER HA . 16507 1 331 . 1 1 32 32 SER HB2 H 1 4.112 0.02 . 2 . . . . 32 SER HB2 . 16507 1 332 . 1 1 32 32 SER HB3 H 1 4.015 0.02 . 2 . . . . 32 SER HB3 . 16507 1 333 . 1 1 32 32 SER C C 13 176.642 0.1 . 1 . . . . 32 SER C . 16507 1 334 . 1 1 32 32 SER CA C 13 57.528 0.1 . 1 . . . . 32 SER CA . 16507 1 335 . 1 1 32 32 SER CB C 13 64.485 0.1 . 1 . . . . 32 SER CB . 16507 1 336 . 1 1 32 32 SER N N 15 117.808 0.1 . 1 . . . . 32 SER N . 16507 1 337 . 1 1 33 33 LYS H H 1 9.020 0.02 . 1 . . . . 33 LYS H . 16507 1 338 . 1 1 33 33 LYS HA H 1 4.066 0.02 . 1 . . . . 33 LYS HA . 16507 1 339 . 1 1 33 33 LYS HB2 H 1 1.810 0.02 . 2 . . . . 33 LYS HB2 . 16507 1 340 . 1 1 33 33 LYS HB3 H 1 1.768 0.02 . 2 . . . . 33 LYS HB3 . 16507 1 341 . 1 1 33 33 LYS HD2 H 1 1.659 0.02 . 2 . . . . 33 LYS HD2 . 16507 1 342 . 1 1 33 33 LYS HD3 H 1 1.659 0.02 . 2 . . . . 33 LYS HD3 . 16507 1 343 . 1 1 33 33 LYS HE2 H 1 2.975 0.02 . 2 . . . . 33 LYS HE2 . 16507 1 344 . 1 1 33 33 LYS HE3 H 1 2.975 0.02 . 2 . . . . 33 LYS HE3 . 16507 1 345 . 1 1 33 33 LYS HG2 H 1 1.431 0.02 . 2 . . . . 33 LYS HG2 . 16507 1 346 . 1 1 33 33 LYS HG3 H 1 1.472 0.02 . 2 . . . . 33 LYS HG3 . 16507 1 347 . 1 1 33 33 LYS C C 13 177.670 0.1 . 1 . . . . 33 LYS C . 16507 1 348 . 1 1 33 33 LYS CA C 13 58.623 0.1 . 1 . . . . 33 LYS CA . 16507 1 349 . 1 1 33 33 LYS CB C 13 32.532 0.1 . 1 . . . . 33 LYS CB . 16507 1 350 . 1 1 33 33 LYS CD C 13 29.118 0.1 . 1 . . . . 33 LYS CD . 16507 1 351 . 1 1 33 33 LYS CE C 13 42.458 0.1 . 1 . . . . 33 LYS CE . 16507 1 352 . 1 1 33 33 LYS CG C 13 25.063 0.1 . 1 . . . . 33 LYS CG . 16507 1 353 . 1 1 33 33 LYS N N 15 128.334 0.1 . 1 . . . . 33 LYS N . 16507 1 354 . 1 1 34 34 GLU H H 1 8.437 0.02 . 1 . . . . 34 GLU H . 16507 1 355 . 1 1 34 34 GLU HB2 H 1 1.888 0.02 . 2 . . . . 34 GLU HB2 . 16507 1 356 . 1 1 34 34 GLU HB3 H 1 1.888 0.02 . 2 . . . . 34 GLU HB3 . 16507 1 357 . 1 1 34 34 GLU CB C 13 29.896 0.1 . 1 . . . . 34 GLU CB . 16507 1 358 . 1 1 34 34 GLU N N 15 117.515 0.1 . 1 . . . . 34 GLU N . 16507 1 359 . 1 1 35 35 ASN HA H 1 4.693 0.02 . 1 . . . . 35 ASN HA . 16507 1 360 . 1 1 35 35 ASN HB2 H 1 2.733 0.02 . 2 . . . . 35 ASN HB2 . 16507 1 361 . 1 1 35 35 ASN HB3 H 1 2.915 0.02 . 2 . . . . 35 ASN HB3 . 16507 1 362 . 1 1 35 35 ASN HD21 H 1 7.475 0.02 . 2 . . . . 35 ASN HD21 . 16507 1 363 . 1 1 35 35 ASN HD22 H 1 6.779 0.02 . 2 . . . . 35 ASN HD22 . 16507 1 364 . 1 1 35 35 ASN C C 13 175.304 0.1 . 1 . . . . 35 ASN C . 16507 1 365 . 1 1 35 35 ASN CA C 13 52.869 0.1 . 1 . . . . 35 ASN CA . 16507 1 366 . 1 1 35 35 ASN CB C 13 39.022 0.1 . 1 . . . . 35 ASN CB . 16507 1 367 . 1 1 35 35 ASN ND2 N 15 111.247 0.1 . 1 . . . . 35 ASN ND2 . 16507 1 368 . 1 1 36 36 HIS H H 1 7.570 0.02 . 1 . . . . 36 HIS H . 16507 1 369 . 1 1 36 36 HIS HA H 1 4.404 0.02 . 1 . . . . 36 HIS HA . 16507 1 370 . 1 1 36 36 HIS HB2 H 1 3.333 0.02 . 2 . . . . 36 HIS HB2 . 16507 1 371 . 1 1 36 36 HIS HB3 H 1 3.333 0.02 . 2 . . . . 36 HIS HB3 . 16507 1 372 . 1 1 36 36 HIS HD2 H 1 7.111 0.02 . 1 . . . . 36 HIS HD2 . 16507 1 373 . 1 1 36 36 HIS HE1 H 1 8.360 0.02 . 1 . . . . 36 HIS HE1 . 16507 1 374 . 1 1 36 36 HIS C C 13 173.411 0.1 . 1 . . . . 36 HIS C . 16507 1 375 . 1 1 36 36 HIS CA C 13 56.893 0.1 . 1 . . . . 36 HIS CA . 16507 1 376 . 1 1 36 36 HIS CB C 13 27.382 0.1 . 1 . . . . 36 HIS CB . 16507 1 377 . 1 1 36 36 HIS CD2 C 13 119.623 0.1 . 1 . . . . 36 HIS CD2 . 16507 1 378 . 1 1 36 36 HIS CE1 C 13 136.965 0.1 . 1 . . . . 36 HIS CE1 . 16507 1 379 . 1 1 36 36 HIS N N 15 114.748 0.1 . 1 . . . . 36 HIS N . 16507 1 380 . 1 1 37 37 ALA H H 1 7.723 0.02 . 1 . . . . 37 ALA H . 16507 1 381 . 1 1 37 37 ALA HA H 1 4.489 0.02 . 1 . . . . 37 ALA HA . 16507 1 382 . 1 1 37 37 ALA HB1 H 1 1.320 0.02 . 1 . . . . 37 ALA QB . 16507 1 383 . 1 1 37 37 ALA HB2 H 1 1.320 0.02 . 1 . . . . 37 ALA QB . 16507 1 384 . 1 1 37 37 ALA HB3 H 1 1.320 0.02 . 1 . . . . 37 ALA QB . 16507 1 385 . 1 1 37 37 ALA C C 13 177.474 0.1 . 1 . . . . 37 ALA C . 16507 1 386 . 1 1 37 37 ALA CA C 13 52.156 0.1 . 1 . . . . 37 ALA CA . 16507 1 387 . 1 1 37 37 ALA CB C 13 20.939 0.1 . 1 . . . . 37 ALA CB . 16507 1 388 . 1 1 37 37 ALA N N 15 120.948 0.1 . 1 . . . . 37 ALA N . 16507 1 389 . 1 1 38 38 ASP H H 1 8.724 0.02 . 1 . . . . 38 ASP H . 16507 1 390 . 1 1 38 38 ASP HA H 1 4.629 0.02 . 1 . . . . 38 ASP HA . 16507 1 391 . 1 1 38 38 ASP HB2 H 1 2.783 0.02 . 2 . . . . 38 ASP HB2 . 16507 1 392 . 1 1 38 38 ASP HB3 H 1 2.682 0.02 . 2 . . . . 38 ASP HB3 . 16507 1 393 . 1 1 38 38 ASP C C 13 177.523 0.1 . 1 . . . . 38 ASP C . 16507 1 394 . 1 1 38 38 ASP CA C 13 56.002 0.1 . 1 . . . . 38 ASP CA . 16507 1 395 . 1 1 38 38 ASP CB C 13 40.265 0.1 . 1 . . . . 38 ASP CB . 16507 1 396 . 1 1 38 38 ASP N N 15 123.179 0.1 . 1 . . . . 38 ASP N . 16507 1 397 . 1 1 39 39 LEU H H 1 8.688 0.02 . 1 . . . . 39 LEU H . 16507 1 398 . 1 1 39 39 LEU HA H 1 4.651 0.02 . 1 . . . . 39 LEU HA . 16507 1 399 . 1 1 39 39 LEU HB2 H 1 1.406 0.02 . 2 . . . . 39 LEU HB2 . 16507 1 400 . 1 1 39 39 LEU HB3 H 1 1.756 0.02 . 2 . . . . 39 LEU HB3 . 16507 1 401 . 1 1 39 39 LEU HD11 H 1 0.851 0.02 . 2 . . . . 39 LEU QD1 . 16507 1 402 . 1 1 39 39 LEU HD12 H 1 0.851 0.02 . 2 . . . . 39 LEU QD1 . 16507 1 403 . 1 1 39 39 LEU HD13 H 1 0.851 0.02 . 2 . . . . 39 LEU QD1 . 16507 1 404 . 1 1 39 39 LEU HD21 H 1 0.726 0.02 . 2 . . . . 39 LEU QD2 . 16507 1 405 . 1 1 39 39 LEU HD22 H 1 0.726 0.02 . 2 . . . . 39 LEU QD2 . 16507 1 406 . 1 1 39 39 LEU HD23 H 1 0.726 0.02 . 2 . . . . 39 LEU QD2 . 16507 1 407 . 1 1 39 39 LEU HG H 1 1.632 0.02 . 1 . . . . 39 LEU HG . 16507 1 408 . 1 1 39 39 LEU C C 13 176.560 0.1 . 1 . . . . 39 LEU C . 16507 1 409 . 1 1 39 39 LEU CA C 13 54.781 0.1 . 1 . . . . 39 LEU CA . 16507 1 410 . 1 1 39 39 LEU CB C 13 44.456 0.1 . 1 . . . . 39 LEU CB . 16507 1 411 . 1 1 39 39 LEU CD1 C 13 22.810 0.1 . 1 . . . . 39 LEU CD1 . 16507 1 412 . 1 1 39 39 LEU CD2 C 13 26.013 0.1 . 1 . . . . 39 LEU CD2 . 16507 1 413 . 1 1 39 39 LEU CG C 13 26.984 0.1 . 1 . . . . 39 LEU CG . 16507 1 414 . 1 1 39 39 LEU N N 15 120.914 0.1 . 1 . . . . 39 LEU N . 16507 1 415 . 1 1 40 40 GLY H H 1 7.784 0.02 . 1 . . . . 40 GLY H . 16507 1 416 . 1 1 40 40 GLY HA2 H 1 3.692 0.02 . 2 . . . . 40 GLY HA2 . 16507 1 417 . 1 1 40 40 GLY HA3 H 1 4.639 0.02 . 2 . . . . 40 GLY HA3 . 16507 1 418 . 1 1 40 40 GLY C C 13 171.469 0.1 . 1 . . . . 40 GLY C . 16507 1 419 . 1 1 40 40 GLY CA C 13 43.487 0.1 . 1 . . . . 40 GLY CA . 16507 1 420 . 1 1 40 40 GLY N N 15 106.310 0.1 . 1 . . . . 40 GLY N . 16507 1 421 . 1 1 41 41 ILE H H 1 8.785 0.02 . 1 . . . . 41 ILE H . 16507 1 422 . 1 1 41 41 ILE HA H 1 4.676 0.02 . 1 . . . . 41 ILE HA . 16507 1 423 . 1 1 41 41 ILE HB H 1 1.821 0.02 . 1 . . . . 41 ILE HB . 16507 1 424 . 1 1 41 41 ILE HD11 H 1 0.743 0.02 . 1 . . . . 41 ILE QD1 . 16507 1 425 . 1 1 41 41 ILE HD12 H 1 0.743 0.02 . 1 . . . . 41 ILE QD1 . 16507 1 426 . 1 1 41 41 ILE HD13 H 1 0.743 0.02 . 1 . . . . 41 ILE QD1 . 16507 1 427 . 1 1 41 41 ILE HG12 H 1 1.209 0.02 . 2 . . . . 41 ILE HG12 . 16507 1 428 . 1 1 41 41 ILE HG13 H 1 1.468 0.02 . 2 . . . . 41 ILE HG13 . 16507 1 429 . 1 1 41 41 ILE HG21 H 1 0.707 0.02 . 1 . . . . 41 ILE QG2 . 16507 1 430 . 1 1 41 41 ILE HG22 H 1 0.707 0.02 . 1 . . . . 41 ILE QG2 . 16507 1 431 . 1 1 41 41 ILE HG23 H 1 0.707 0.02 . 1 . . . . 41 ILE QG2 . 16507 1 432 . 1 1 41 41 ILE C C 13 174.716 0.1 . 1 . . . . 41 ILE C . 16507 1 433 . 1 1 41 41 ILE CA C 13 58.801 0.1 . 1 . . . . 41 ILE CA . 16507 1 434 . 1 1 41 41 ILE CB C 13 37.775 0.1 . 1 . . . . 41 ILE CB . 16507 1 435 . 1 1 41 41 ILE CD1 C 13 10.78 0.1 . 1 . . . . 41 ILE CD1 . 16507 1 436 . 1 1 41 41 ILE CG1 C 13 27.307 0.1 . 1 . . . . 41 ILE CG1 . 16507 1 437 . 1 1 41 41 ILE CG2 C 13 18.571 0.1 . 1 . . . . 41 ILE CG2 . 16507 1 438 . 1 1 41 41 ILE N N 15 116.827 0.1 . 1 . . . . 41 ILE N . 16507 1 439 . 1 1 42 42 PHE H H 1 8.831 0.02 . 1 . . . . 42 PHE H . 16507 1 440 . 1 1 42 42 PHE HA H 1 5.335 0.02 . 1 . . . . 42 PHE HA . 16507 1 441 . 1 1 42 42 PHE HB2 H 1 2.706 0.02 . 2 . . . . 42 PHE HB2 . 16507 1 442 . 1 1 42 42 PHE HB3 H 1 2.706 0.02 . 2 . . . . 42 PHE HB3 . 16507 1 443 . 1 1 42 42 PHE HD1 H 1 7.112 0.02 . 1 . . . . 42 PHE HD1 . 16507 1 444 . 1 1 42 42 PHE HD2 H 1 7.112 0.02 . 1 . . . . 42 PHE HD2 . 16507 1 445 . 1 1 42 42 PHE HE1 H 1 7.042 0.02 . 1 . . . . 42 PHE HE1 . 16507 1 446 . 1 1 42 42 PHE HE2 H 1 7.042 0.02 . 1 . . . . 42 PHE HE2 . 16507 1 447 . 1 1 42 42 PHE C C 13 176.104 0.1 . 1 . . . . 42 PHE C . 16507 1 448 . 1 1 42 42 PHE CA C 13 55.977 0.1 . 1 . . . . 42 PHE CA . 16507 1 449 . 1 1 42 42 PHE CB C 13 43.907 0.1 . 1 . . . . 42 PHE CB . 16507 1 450 . 1 1 42 42 PHE CD1 C 13 132.824 0.1 . 1 . . . . 42 PHE CD1 . 16507 1 451 . 1 1 42 42 PHE CE1 C 13 130.753 0.1 . 1 . . . . 42 PHE CE1 . 16507 1 452 . 1 1 42 42 PHE N N 15 124.113 0.1 . 1 . . . . 42 PHE N . 16507 1 453 . 1 1 43 43 VAL H H 1 8.900 0.02 . 1 . . . . 43 VAL H . 16507 1 454 . 1 1 43 43 VAL HA H 1 3.899 0.02 . 1 . . . . 43 VAL HA . 16507 1 455 . 1 1 43 43 VAL HB H 1 2.372 0.02 . 1 . . . . 43 VAL HB . 16507 1 456 . 1 1 43 43 VAL HG11 H 1 0.752 0.02 . 2 . . . . 43 VAL QG1 . 16507 1 457 . 1 1 43 43 VAL HG12 H 1 0.752 0.02 . 2 . . . . 43 VAL QG1 . 16507 1 458 . 1 1 43 43 VAL HG13 H 1 0.752 0.02 . 2 . . . . 43 VAL QG1 . 16507 1 459 . 1 1 43 43 VAL HG21 H 1 0.941 0.02 . 2 . . . . 43 VAL QG2 . 16507 1 460 . 1 1 43 43 VAL HG22 H 1 0.941 0.02 . 2 . . . . 43 VAL QG2 . 16507 1 461 . 1 1 43 43 VAL HG23 H 1 0.941 0.02 . 2 . . . . 43 VAL QG2 . 16507 1 462 . 1 1 43 43 VAL C C 13 175.948 0.1 . 1 . . . . 43 VAL C . 16507 1 463 . 1 1 43 43 VAL CA C 13 64.550 0.1 . 1 . . . . 43 VAL CA . 16507 1 464 . 1 1 43 43 VAL CB C 13 32.059 0.1 . 1 . . . . 43 VAL CB . 16507 1 465 . 1 1 43 43 VAL CG1 C 13 22.130 0.1 . 1 . . . . 43 VAL CG1 . 16507 1 466 . 1 1 43 43 VAL CG2 C 13 22.11 0.1 . 1 . . . . 43 VAL CG2 . 16507 1 467 . 1 1 43 43 VAL N N 15 120.157 0.1 . 1 . . . . 43 VAL N . 16507 1 468 . 1 1 44 44 LYS H H 1 9.733 0.02 . 1 . . . . 44 LYS H . 16507 1 469 . 1 1 44 44 LYS HA H 1 4.519 0.02 . 1 . . . . 44 LYS HA . 16507 1 470 . 1 1 44 44 LYS HB2 H 1 1.537 0.02 . 2 . . . . 44 LYS HB2 . 16507 1 471 . 1 1 44 44 LYS HB3 H 1 1.801 0.02 . 2 . . . . 44 LYS HB3 . 16507 1 472 . 1 1 44 44 LYS HD2 H 1 1.563 0.02 . 2 . . . . 44 LYS HD2 . 16507 1 473 . 1 1 44 44 LYS HD3 H 1 1.563 0.02 . 2 . . . . 44 LYS HD3 . 16507 1 474 . 1 1 44 44 LYS HE2 H 1 2.903 0.02 . 2 . . . . 44 LYS HE2 . 16507 1 475 . 1 1 44 44 LYS HE3 H 1 2.903 0.02 . 2 . . . . 44 LYS HE3 . 16507 1 476 . 1 1 44 44 LYS HG2 H 1 1.345 0.02 . 2 . . . . 44 LYS HG2 . 16507 1 477 . 1 1 44 44 LYS HG3 H 1 1.345 0.02 . 2 . . . . 44 LYS HG3 . 16507 1 478 . 1 1 44 44 LYS C C 13 175.761 0.1 . 1 . . . . 44 LYS C . 16507 1 479 . 1 1 44 44 LYS CA C 13 57.020 0.1 . 1 . . . . 44 LYS CA . 16507 1 480 . 1 1 44 44 LYS CB C 13 34.102 0.1 . 1 . . . . 44 LYS CB . 16507 1 481 . 1 1 44 44 LYS CD C 13 28.911 0.1 . 1 . . . . 44 LYS CD . 16507 1 482 . 1 1 44 44 LYS CE C 13 42.515 0.1 . 1 . . . . 44 LYS CE . 16507 1 483 . 1 1 44 44 LYS CG C 13 25.366 0.1 . 1 . . . . 44 LYS CG . 16507 1 484 . 1 1 44 44 LYS N N 15 133.503 0.1 . 1 . . . . 44 LYS N . 16507 1 485 . 1 1 45 45 SER H H 1 7.861 0.02 . 1 . . . . 45 SER H . 16507 1 486 . 1 1 45 45 SER HA H 1 4.532 0.02 . 1 . . . . 45 SER HA . 16507 1 487 . 1 1 45 45 SER HB2 H 1 3.757 0.02 . 2 . . . . 45 SER HB2 . 16507 1 488 . 1 1 45 45 SER HB3 H 1 3.671 0.02 . 2 . . . . 45 SER HB3 . 16507 1 489 . 1 1 45 45 SER C C 13 171.697 0.1 . 1 . . . . 45 SER C . 16507 1 490 . 1 1 45 45 SER CA C 13 57.722 0.1 . 1 . . . . 45 SER CA . 16507 1 491 . 1 1 45 45 SER CB C 13 65.732 0.1 . 1 . . . . 45 SER CB . 16507 1 492 . 1 1 45 45 SER N N 15 111.341 0.1 . 1 . . . . 45 SER N . 16507 1 493 . 1 1 46 46 ILE H H 1 8.629 0.02 . 1 . . . . 46 ILE H . 16507 1 494 . 1 1 46 46 ILE HA H 1 4.286 0.02 . 1 . . . . 46 ILE HA . 16507 1 495 . 1 1 46 46 ILE HB H 1 1.684 0.02 . 1 . . . . 46 ILE HB . 16507 1 496 . 1 1 46 46 ILE HD11 H 1 0.567 0.02 . 1 . . . . 46 ILE QD1 . 16507 1 497 . 1 1 46 46 ILE HD12 H 1 0.567 0.02 . 1 . . . . 46 ILE QD1 . 16507 1 498 . 1 1 46 46 ILE HD13 H 1 0.567 0.02 . 1 . . . . 46 ILE QD1 . 16507 1 499 . 1 1 46 46 ILE HG12 H 1 1.292 0.02 . 2 . . . . 46 ILE HG12 . 16507 1 500 . 1 1 46 46 ILE HG13 H 1 0.860 0.02 . 2 . . . . 46 ILE HG13 . 16507 1 501 . 1 1 46 46 ILE HG21 H 1 0.733 0.02 . 1 . . . . 46 ILE QG2 . 16507 1 502 . 1 1 46 46 ILE HG22 H 1 0.733 0.02 . 1 . . . . 46 ILE QG2 . 16507 1 503 . 1 1 46 46 ILE HG23 H 1 0.733 0.02 . 1 . . . . 46 ILE QG2 . 16507 1 504 . 1 1 46 46 ILE C C 13 175.777 0.1 . 1 . . . . 46 ILE C . 16507 1 505 . 1 1 46 46 ILE CA C 13 60.861 0.1 . 1 . . . . 46 ILE CA . 16507 1 506 . 1 1 46 46 ILE CB C 13 39.438 0.1 . 1 . . . . 46 ILE CB . 16507 1 507 . 1 1 46 46 ILE CD1 C 13 13.607 0.1 . 1 . . . . 46 ILE CD1 . 16507 1 508 . 1 1 46 46 ILE CG1 C 13 27.907 0.1 . 1 . . . . 46 ILE CG1 . 16507 1 509 . 1 1 46 46 ILE CG2 C 13 17.743 0.1 . 1 . . . . 46 ILE CG2 . 16507 1 510 . 1 1 46 46 ILE N N 15 123.404 0.1 . 1 . . . . 46 ILE N . 16507 1 511 . 1 1 47 47 ILE H H 1 8.355 0.02 . 1 . . . . 47 ILE H . 16507 1 512 . 1 1 47 47 ILE HA H 1 3.855 0.02 . 1 . . . . 47 ILE HA . 16507 1 513 . 1 1 47 47 ILE HB H 1 1.673 0.02 . 1 . . . . 47 ILE HB . 16507 1 514 . 1 1 47 47 ILE HD11 H 1 0.688 0.02 . 1 . . . . 47 ILE QD1 . 16507 1 515 . 1 1 47 47 ILE HD12 H 1 0.688 0.02 . 1 . . . . 47 ILE QD1 . 16507 1 516 . 1 1 47 47 ILE HD13 H 1 0.688 0.02 . 1 . . . . 47 ILE QD1 . 16507 1 517 . 1 1 47 47 ILE HG12 H 1 1.313 0.02 . 2 . . . . 47 ILE HG12 . 16507 1 518 . 1 1 47 47 ILE HG13 H 1 1.023 0.02 . 2 . . . . 47 ILE HG13 . 16507 1 519 . 1 1 47 47 ILE HG21 H 1 0.835 0.02 . 1 . . . . 47 ILE QG2 . 16507 1 520 . 1 1 47 47 ILE HG22 H 1 0.835 0.02 . 1 . . . . 47 ILE QG2 . 16507 1 521 . 1 1 47 47 ILE HG23 H 1 0.835 0.02 . 1 . . . . 47 ILE QG2 . 16507 1 522 . 1 1 47 47 ILE C C 13 177.393 0.1 . 1 . . . . 47 ILE C . 16507 1 523 . 1 1 47 47 ILE CA C 13 61.928 0.1 . 1 . . . . 47 ILE CA . 16507 1 524 . 1 1 47 47 ILE CB C 13 37.671 0.1 . 1 . . . . 47 ILE CB . 16507 1 525 . 1 1 47 47 ILE CD1 C 13 12.779 0.1 . 1 . . . . 47 ILE CD1 . 16507 1 526 . 1 1 47 47 ILE CG1 C 13 28.555 0.1 . 1 . . . . 47 ILE CG1 . 16507 1 527 . 1 1 47 47 ILE CG2 C 13 17.122 0.1 . 1 . . . . 47 ILE CG2 . 16507 1 528 . 1 1 47 47 ILE N N 15 128.931 0.1 . 1 . . . . 47 ILE N . 16507 1 529 . 1 1 48 48 ASN H H 1 9.096 0.02 . 1 . . . . 48 ASN H . 16507 1 530 . 1 1 48 48 ASN HA H 1 4.363 0.02 . 1 . . . . 48 ASN HA . 16507 1 531 . 1 1 48 48 ASN HB2 H 1 2.748 0.02 . 2 . . . . 48 ASN HB2 . 16507 1 532 . 1 1 48 48 ASN HB3 H 1 2.813 0.02 . 2 . . . . 48 ASN HB3 . 16507 1 533 . 1 1 48 48 ASN HD21 H 1 7.558 0.02 . 2 . . . . 48 ASN HD21 . 16507 1 534 . 1 1 48 48 ASN HD22 H 1 6.841 0.02 . 2 . . . . 48 ASN HD22 . 16507 1 535 . 1 1 48 48 ASN C C 13 176.544 0.1 . 1 . . . . 48 ASN C . 16507 1 536 . 1 1 48 48 ASN CA C 13 55.698 0.1 . 1 . . . . 48 ASN CA . 16507 1 537 . 1 1 48 48 ASN CB C 13 38.632 0.1 . 1 . . . . 48 ASN CB . 16507 1 538 . 1 1 48 48 ASN N N 15 129.801 0.1 . 1 . . . . 48 ASN N . 16507 1 539 . 1 1 48 48 ASN ND2 N 15 112.275 0.1 . 1 . . . . 48 ASN ND2 . 16507 1 540 . 1 1 49 49 GLY H H 1 8.260 0.02 . 1 . . . . 49 GLY H . 16507 1 541 . 1 1 49 49 GLY HA2 H 1 3.672 0.02 . 2 . . . . 49 GLY HA2 . 16507 1 542 . 1 1 49 49 GLY HA3 H 1 4.264 0.02 . 2 . . . . 49 GLY HA3 . 16507 1 543 . 1 1 49 49 GLY C C 13 174.618 0.1 . 1 . . . . 49 GLY C . 16507 1 544 . 1 1 49 49 GLY CA C 13 45.624 0.1 . 1 . . . . 49 GLY CA . 16507 1 545 . 1 1 49 49 GLY N N 15 112.544 0.1 . 1 . . . . 49 GLY N . 16507 1 546 . 1 1 50 50 GLY H H 1 7.554 0.02 . 1 . . . . 50 GLY H . 16507 1 547 . 1 1 50 50 GLY HA2 H 1 4.286 0.02 . 2 . . . . 50 GLY HA2 . 16507 1 548 . 1 1 50 50 GLY HA3 H 1 3.957 0.02 . 2 . . . . 50 GLY HA3 . 16507 1 549 . 1 1 50 50 GLY C C 13 177.311 0.1 . 1 . . . . 50 GLY C . 16507 1 550 . 1 1 50 50 GLY CA C 13 45.068 0.1 . 1 . . . . 50 GLY CA . 16507 1 551 . 1 1 50 50 GLY N N 15 106.202 0.1 . 1 . . . . 50 GLY N . 16507 1 552 . 1 1 51 51 ALA H H 1 8.828 0.02 . 1 . . . . 51 ALA H . 16507 1 553 . 1 1 51 51 ALA HA H 1 4.010 0.02 . 1 . . . . 51 ALA HA . 16507 1 554 . 1 1 51 51 ALA HB1 H 1 1.619 0.02 . 1 . . . . 51 ALA QB . 16507 1 555 . 1 1 51 51 ALA HB2 H 1 1.619 0.02 . 1 . . . . 51 ALA QB . 16507 1 556 . 1 1 51 51 ALA HB3 H 1 1.619 0.02 . 1 . . . . 51 ALA QB . 16507 1 557 . 1 1 51 51 ALA C C 13 181.717 0.1 . 1 . . . . 51 ALA C . 16507 1 558 . 1 1 51 51 ALA CA C 13 55.781 0.1 . 1 . . . . 51 ALA CA . 16507 1 559 . 1 1 51 51 ALA CB C 13 18.860 0.1 . 1 . . . . 51 ALA CB . 16507 1 560 . 1 1 51 51 ALA N N 15 122.150 0.1 . 1 . . . . 51 ALA N . 16507 1 561 . 1 1 52 52 ALA H H 1 9.190 0.02 . 1 . . . . 52 ALA H . 16507 1 562 . 1 1 52 52 ALA HA H 1 4.030 0.02 . 1 . . . . 52 ALA HA . 16507 1 563 . 1 1 52 52 ALA HB1 H 1 1.263 0.02 . 1 . . . . 52 ALA QB . 16507 1 564 . 1 1 52 52 ALA HB2 H 1 1.263 0.02 . 1 . . . . 52 ALA QB . 16507 1 565 . 1 1 52 52 ALA HB3 H 1 1.263 0.02 . 1 . . . . 52 ALA QB . 16507 1 566 . 1 1 52 52 ALA C C 13 181.260 0.1 . 1 . . . . 52 ALA C . 16507 1 567 . 1 1 52 52 ALA CA C 13 55.468 0.1 . 1 . . . . 52 ALA CA . 16507 1 568 . 1 1 52 52 ALA CB C 13 18.964 0.1 . 1 . . . . 52 ALA CB . 16507 1 569 . 1 1 52 52 ALA N N 15 120.224 0.1 . 1 . . . . 52 ALA N . 16507 1 570 . 1 1 53 53 SER H H 1 8.950 0.02 . 1 . . . . 53 SER H . 16507 1 571 . 1 1 53 53 SER HA H 1 3.986 0.02 . 1 . . . . 53 SER HA . 16507 1 572 . 1 1 53 53 SER HB2 H 1 4.044 0.02 . 2 . . . . 53 SER HB2 . 16507 1 573 . 1 1 53 53 SER HB3 H 1 3.987 0.02 . 2 . . . . 53 SER HB3 . 16507 1 574 . 1 1 53 53 SER C C 13 176.463 0.1 . 1 . . . . 53 SER C . 16507 1 575 . 1 1 53 53 SER CA C 13 60.963 0.1 . 1 . . . . 53 SER CA . 16507 1 576 . 1 1 53 53 SER CB C 13 63.223 0.1 . 1 . . . . 53 SER CB . 16507 1 577 . 1 1 53 53 SER N N 15 118.629 0.1 . 1 . . . . 53 SER N . 16507 1 578 . 1 1 54 54 LYS H H 1 8.165 0.02 . 1 . . . . 54 LYS H . 16507 1 579 . 1 1 54 54 LYS HA H 1 3.954 0.02 . 1 . . . . 54 LYS HA . 16507 1 580 . 1 1 54 54 LYS HB2 H 1 1.797 0.02 . 2 . . . . 54 LYS HB2 . 16507 1 581 . 1 1 54 54 LYS HB3 H 1 1.797 0.02 . 2 . . . . 54 LYS HB3 . 16507 1 582 . 1 1 54 54 LYS HD2 H 1 1.608 0.02 . 2 . . . . 54 LYS HD2 . 16507 1 583 . 1 1 54 54 LYS HD3 H 1 1.608 0.02 . 2 . . . . 54 LYS HD3 . 16507 1 584 . 1 1 54 54 LYS HE2 H 1 2.943 0.02 . 2 . . . . 54 LYS HE2 . 16507 1 585 . 1 1 54 54 LYS HE3 H 1 2.943 0.02 . 2 . . . . 54 LYS HE3 . 16507 1 586 . 1 1 54 54 LYS HG2 H 1 1.469 0.02 . 2 . . . . 54 LYS HG2 . 16507 1 587 . 1 1 54 54 LYS HG3 H 1 1.369 0.02 . 2 . . . . 54 LYS HG3 . 16507 1 588 . 1 1 54 54 LYS C C 13 178.502 0.1 . 1 . . . . 54 LYS C . 16507 1 589 . 1 1 54 54 LYS CA C 13 59.335 0.1 . 1 . . . . 54 LYS CA . 16507 1 590 . 1 1 54 54 LYS CB C 13 32.683 0.1 . 1 . . . . 54 LYS CB . 16507 1 591 . 1 1 54 54 LYS CD C 13 29.428 0.1 . 1 . . . . 54 LYS CD . 16507 1 592 . 1 1 54 54 LYS CE C 13 42.251 0.1 . 1 . . . . 54 LYS CE . 16507 1 593 . 1 1 54 54 LYS CG C 13 25.602 0.1 . 1 . . . . 54 LYS CG . 16507 1 594 . 1 1 54 54 LYS N N 15 120.370 0.1 . 1 . . . . 54 LYS N . 16507 1 595 . 1 1 55 55 ASP H H 1 7.588 0.02 . 1 . . . . 55 ASP H . 16507 1 596 . 1 1 55 55 ASP HA H 1 4.365 0.02 . 1 . . . . 55 ASP HA . 16507 1 597 . 1 1 55 55 ASP HB2 H 1 2.551 0.02 . 2 . . . . 55 ASP HB2 . 16507 1 598 . 1 1 55 55 ASP HB3 H 1 2.819 0.02 . 2 . . . . 55 ASP HB3 . 16507 1 599 . 1 1 55 55 ASP C C 13 178.143 0.1 . 1 . . . . 55 ASP C . 16507 1 600 . 1 1 55 55 ASP CA C 13 57.274 0.1 . 1 . . . . 55 ASP CA . 16507 1 601 . 1 1 55 55 ASP CB C 13 44.634 0.1 . 1 . . . . 55 ASP CB . 16507 1 602 . 1 1 55 55 ASP N N 15 118.718 0.1 . 1 . . . . 55 ASP N . 16507 1 603 . 1 1 56 56 GLY H H 1 7.665 0.02 . 1 . . . . 56 GLY H . 16507 1 604 . 1 1 56 56 GLY HA2 H 1 3.817 0.02 . 2 . . . . 56 GLY HA2 . 16507 1 605 . 1 1 56 56 GLY HA3 H 1 3.986 0.02 . 2 . . . . 56 GLY HA3 . 16507 1 606 . 1 1 56 56 GLY C C 13 175.108 0.1 . 1 . . . . 56 GLY C . 16507 1 607 . 1 1 56 56 GLY CA C 13 46.590 0.1 . 1 . . . . 56 GLY CA . 16507 1 608 . 1 1 56 56 GLY N N 15 102.784 0.1 . 1 . . . . 56 GLY N . 16507 1 609 . 1 1 57 57 ARG H H 1 7.608 0.02 . 1 . . . . 57 ARG H . 16507 1 610 . 1 1 57 57 ARG HA H 1 4.004 0.02 . 1 . . . . 57 ARG HA . 16507 1 611 . 1 1 57 57 ARG HB2 H 1 0.608 0.02 . 2 . . . . 57 ARG HB2 . 16507 1 612 . 1 1 57 57 ARG HB3 H 1 0.879 0.02 . 2 . . . . 57 ARG HB3 . 16507 1 613 . 1 1 57 57 ARG HD2 H 1 3.168 0.02 . 2 . . . . 57 ARG HD2 . 16507 1 614 . 1 1 57 57 ARG HD3 H 1 3.168 0.02 . 2 . . . . 57 ARG HD3 . 16507 1 615 . 1 1 57 57 ARG HE H 1 8.320 0.02 . 1 . . . . 57 ARG HE . 16507 1 616 . 1 1 57 57 ARG HG2 H 1 1.384 0.02 . 2 . . . . 57 ARG HG2 . 16507 1 617 . 1 1 57 57 ARG HG3 H 1 1.384 0.02 . 2 . . . . 57 ARG HG3 . 16507 1 618 . 1 1 57 57 ARG C C 13 173.917 0.1 . 1 . . . . 57 ARG C . 16507 1 619 . 1 1 57 57 ARG CA C 13 58.826 0.1 . 1 . . . . 57 ARG CA . 16507 1 620 . 1 1 57 57 ARG CB C 13 30.708 0.1 . 1 . . . . 57 ARG CB . 16507 1 621 . 1 1 57 57 ARG CD C 13 43.182 0.1 . 1 . . . . 57 ARG CD . 16507 1 622 . 1 1 57 57 ARG CG C 13 27.360 0.1 . 1 . . . . 57 ARG CG . 16507 1 623 . 1 1 57 57 ARG N N 15 119.814 0.1 . 1 . . . . 57 ARG N . 16507 1 624 . 1 1 57 57 ARG NE N 15 118.955 0.1 . 1 . . . . 57 ARG NE . 16507 1 625 . 1 1 58 58 LEU H H 1 8.841 0.02 . 1 . . . . 58 LEU H . 16507 1 626 . 1 1 58 58 LEU HA H 1 3.900 0.02 . 1 . . . . 58 LEU HA . 16507 1 627 . 1 1 58 58 LEU HB2 H 1 1.471 0.02 . 2 . . . . 58 LEU HB2 . 16507 1 628 . 1 1 58 58 LEU HB3 H 1 1.257 0.02 . 2 . . . . 58 LEU HB3 . 16507 1 629 . 1 1 58 58 LEU HD11 H 1 0.993 0.02 . 2 . . . . 58 LEU QD1 . 16507 1 630 . 1 1 58 58 LEU HD12 H 1 0.993 0.02 . 2 . . . . 58 LEU QD1 . 16507 1 631 . 1 1 58 58 LEU HD13 H 1 0.993 0.02 . 2 . . . . 58 LEU QD1 . 16507 1 632 . 1 1 58 58 LEU HD21 H 1 0.870 0.02 . 2 . . . . 58 LEU QD2 . 16507 1 633 . 1 1 58 58 LEU HD22 H 1 0.870 0.02 . 2 . . . . 58 LEU QD2 . 16507 1 634 . 1 1 58 58 LEU HD23 H 1 0.870 0.02 . 2 . . . . 58 LEU QD2 . 16507 1 635 . 1 1 58 58 LEU HG H 1 1.654 0.02 . 1 . . . . 58 LEU HG . 16507 1 636 . 1 1 58 58 LEU C C 13 175.500 0.1 . 1 . . . . 58 LEU C . 16507 1 637 . 1 1 58 58 LEU CA C 13 56.104 0.1 . 1 . . . . 58 LEU CA . 16507 1 638 . 1 1 58 58 LEU CB C 13 44.011 0.1 . 1 . . . . 58 LEU CB . 16507 1 639 . 1 1 58 58 LEU CD1 C 13 25.395 0.1 . 1 . . . . 58 LEU CD1 . 16507 1 640 . 1 1 58 58 LEU CD2 C 13 26.660 0.1 . 1 . . . . 58 LEU CD2 . 16507 1 641 . 1 1 58 58 LEU CG C 13 26.946 0.1 . 1 . . . . 58 LEU CG . 16507 1 642 . 1 1 58 58 LEU N N 15 122.053 0.1 . 1 . . . . 58 LEU N . 16507 1 643 . 1 1 59 59 ARG H H 1 8.582 0.02 . 1 . . . . 59 ARG H . 16507 1 644 . 1 1 59 59 ARG HA H 1 4.627 0.02 . 1 . . . . 59 ARG HA . 16507 1 645 . 1 1 59 59 ARG HB2 H 1 1.742 0.02 . 2 . . . . 59 ARG HB2 . 16507 1 646 . 1 1 59 59 ARG HB3 H 1 1.742 0.02 . 2 . . . . 59 ARG HB3 . 16507 1 647 . 1 1 59 59 ARG HD2 H 1 2.962 0.02 . 2 . . . . 59 ARG HD2 . 16507 1 648 . 1 1 59 59 ARG HD3 H 1 3.164 0.02 . 2 . . . . 59 ARG HD3 . 16507 1 649 . 1 1 59 59 ARG HE H 1 9.321 0.02 . 1 . . . . 59 ARG HE . 16507 1 650 . 1 1 59 59 ARG HG2 H 1 1.589 0.02 . 2 . . . . 59 ARG HG2 . 16507 1 651 . 1 1 59 59 ARG HG3 H 1 1.589 0.02 . 2 . . . . 59 ARG HG3 . 16507 1 652 . 1 1 59 59 ARG C C 13 176.000 0.1 . 1 . . . . 59 ARG C . 16507 1 653 . 1 1 59 59 ARG CA C 13 54.149 0.1 . 1 . . . . 59 ARG CA . 16507 1 654 . 1 1 59 59 ARG CB C 13 34.865 0.1 . 1 . . . . 59 ARG CB . 16507 1 655 . 1 1 59 59 ARG CD C 13 44.319 0.1 . 1 . . . . 59 ARG CD . 16507 1 656 . 1 1 59 59 ARG CG C 13 27.153 0.1 . 1 . . . . 59 ARG CG . 16507 1 657 . 1 1 59 59 ARG N N 15 121.885 0.1 . 1 . . . . 59 ARG N . 16507 1 658 . 1 1 59 59 ARG NE N 15 117.413 0.1 . 1 . . . . 59 ARG NE . 16507 1 659 . 1 1 60 60 VAL H H 1 8.393 0.02 . 1 . . . . 60 VAL H . 16507 1 660 . 1 1 60 60 VAL HA H 1 3.298 0.02 . 1 . . . . 60 VAL HA . 16507 1 661 . 1 1 60 60 VAL HB H 1 1.848 0.02 . 1 . . . . 60 VAL HB . 16507 1 662 . 1 1 60 60 VAL HG11 H 1 0.947 0.02 . 2 . . . . 60 VAL QG1 . 16507 1 663 . 1 1 60 60 VAL HG12 H 1 0.947 0.02 . 2 . . . . 60 VAL QG1 . 16507 1 664 . 1 1 60 60 VAL HG13 H 1 0.947 0.02 . 2 . . . . 60 VAL QG1 . 16507 1 665 . 1 1 60 60 VAL HG21 H 1 0.932 0.02 . 2 . . . . 60 VAL QG2 . 16507 1 666 . 1 1 60 60 VAL HG22 H 1 0.932 0.02 . 2 . . . . 60 VAL QG2 . 16507 1 667 . 1 1 60 60 VAL HG23 H 1 0.932 0.02 . 2 . . . . 60 VAL QG2 . 16507 1 668 . 1 1 60 60 VAL C C 13 178.062 0.1 . 1 . . . . 60 VAL C . 16507 1 669 . 1 1 60 60 VAL CA C 13 65.644 0.1 . 1 . . . . 60 VAL CA . 16507 1 670 . 1 1 60 60 VAL CB C 13 31.747 0.1 . 1 . . . . 60 VAL CB . 16507 1 671 . 1 1 60 60 VAL CG1 C 13 21.776 0.1 . 1 . . . . 60 VAL CG1 . 16507 1 672 . 1 1 60 60 VAL CG2 C 13 22.913 0.1 . 1 . . . . 60 VAL CG2 . 16507 1 673 . 1 1 60 60 VAL N N 15 120.674 0.1 . 1 . . . . 60 VAL N . 16507 1 674 . 1 1 61 61 ASN H H 1 9.415 0.02 . 1 . . . . 61 ASN H . 16507 1 675 . 1 1 61 61 ASN HA H 1 4.436 0.02 . 1 . . . . 61 ASN HA . 16507 1 676 . 1 1 61 61 ASN HB2 H 1 3.181 0.02 . 2 . . . . 61 ASN HB2 . 16507 1 677 . 1 1 61 61 ASN HB3 H 1 3.333 0.02 . 2 . . . . 61 ASN HB3 . 16507 1 678 . 1 1 61 61 ASN HD21 H 1 7.649 0.02 . 2 . . . . 61 ASN HD21 . 16507 1 679 . 1 1 61 61 ASN HD22 H 1 6.934 0.02 . 2 . . . . 61 ASN HD22 . 16507 1 680 . 1 1 61 61 ASN C C 13 175.010 0.1 . 1 . . . . 61 ASN C . 16507 1 681 . 1 1 61 61 ASN CA C 13 56.352 0.1 . 1 . . . . 61 ASN CA . 16507 1 682 . 1 1 61 61 ASN CB C 13 37.775 0.1 . 1 . . . . 61 ASN CB . 16507 1 683 . 1 1 61 61 ASN N N 15 120.753 0.1 . 1 . . . . 61 ASN N . 16507 1 684 . 1 1 61 61 ASN ND2 N 15 113.302 0.1 . 1 . . . . 61 ASN ND2 . 16507 1 685 . 1 1 62 62 ASP H H 1 8.053 0.02 . 1 . . . . 62 ASP H . 16507 1 686 . 1 1 62 62 ASP HA H 1 4.725 0.02 . 1 . . . . 62 ASP HA . 16507 1 687 . 1 1 62 62 ASP HB2 H 1 2.284 0.02 . 2 . . . . 62 ASP HB2 . 16507 1 688 . 1 1 62 62 ASP HB3 H 1 2.787 0.02 . 2 . . . . 62 ASP HB3 . 16507 1 689 . 1 1 62 62 ASP C C 13 175.696 0.1 . 1 . . . . 62 ASP C . 16507 1 690 . 1 1 62 62 ASP CA C 13 56.599 0.1 . 1 . . . . 62 ASP CA . 16507 1 691 . 1 1 62 62 ASP CB C 13 40.997 0.1 . 1 . . . . 62 ASP CB . 16507 1 692 . 1 1 62 62 ASP N N 15 122.313 0.1 . 1 . . . . 62 ASP N . 16507 1 693 . 1 1 63 63 GLN H H 1 8.767 0.02 . 1 . . . . 63 GLN H . 16507 1 694 . 1 1 63 63 GLN HA H 1 4.221 0.02 . 1 . . . . 63 GLN HA . 16507 1 695 . 1 1 63 63 GLN HB2 H 1 1.528 0.02 . 2 . . . . 63 GLN HB2 . 16507 1 696 . 1 1 63 63 GLN HB3 H 1 1.708 0.02 . 2 . . . . 63 GLN HB3 . 16507 1 697 . 1 1 63 63 GLN HE21 H 1 7.889 0.02 . 2 . . . . 63 GLN HE21 . 16507 1 698 . 1 1 63 63 GLN HE22 H 1 6.655 0.02 . 2 . . . . 63 GLN HE22 . 16507 1 699 . 1 1 63 63 GLN HG2 H 1 1.117 0.02 . 2 . . . . 63 GLN HG2 . 16507 1 700 . 1 1 63 63 GLN HG3 H 1 1.117 0.02 . 2 . . . . 63 GLN HG3 . 16507 1 701 . 1 1 63 63 GLN C C 13 176.838 0.1 . 1 . . . . 63 GLN C . 16507 1 702 . 1 1 63 63 GLN CA C 13 53.839 0.1 . 1 . . . . 63 GLN CA . 16507 1 703 . 1 1 63 63 GLN CB C 13 29.980 0.1 . 1 . . . . 63 GLN CB . 16507 1 704 . 1 1 63 63 GLN CG C 13 32.841 0.1 . 1 . . . . 63 GLN CG . 16507 1 705 . 1 1 63 63 GLN N N 15 122.993 0.1 . 1 . . . . 63 GLN N . 16507 1 706 . 1 1 63 63 GLN NE2 N 15 109.963 0.1 . 1 . . . . 63 GLN NE2 . 16507 1 707 . 1 1 64 64 LEU H H 1 8.581 0.02 . 1 . . . . 64 LEU H . 16507 1 708 . 1 1 64 64 LEU HA H 1 4.297 0.02 . 1 . . . . 64 LEU HA . 16507 1 709 . 1 1 64 64 LEU HB2 H 1 1.502 0.02 . 2 . . . . 64 LEU HB2 . 16507 1 710 . 1 1 64 64 LEU HB3 H 1 1.023 0.02 . 2 . . . . 64 LEU HB3 . 16507 1 711 . 1 1 64 64 LEU HD11 H 1 0.639 0.02 . 2 . . . . 64 LEU QD1 . 16507 1 712 . 1 1 64 64 LEU HD12 H 1 0.639 0.02 . 2 . . . . 64 LEU QD1 . 16507 1 713 . 1 1 64 64 LEU HD13 H 1 0.639 0.02 . 2 . . . . 64 LEU QD1 . 16507 1 714 . 1 1 64 64 LEU HD21 H 1 0.674 0.02 . 2 . . . . 64 LEU QD2 . 16507 1 715 . 1 1 64 64 LEU HD22 H 1 0.674 0.02 . 2 . . . . 64 LEU QD2 . 16507 1 716 . 1 1 64 64 LEU HD23 H 1 0.674 0.02 . 2 . . . . 64 LEU QD2 . 16507 1 717 . 1 1 64 64 LEU HG H 1 1.435 0.02 . 1 . . . . 64 LEU HG . 16507 1 718 . 1 1 64 64 LEU C C 13 174.292 0.1 . 1 . . . . 64 LEU C . 16507 1 719 . 1 1 64 64 LEU CA C 13 55.773 0.1 . 1 . . . . 64 LEU CA . 16507 1 720 . 1 1 64 64 LEU CB C 13 41.724 0.1 . 1 . . . . 64 LEU CB . 16507 1 721 . 1 1 64 64 LEU CD1 C 13 24.671 0.1 . 1 . . . . 64 LEU CD1 . 16507 1 722 . 1 1 64 64 LEU CD2 C 13 26.660 0.1 . 1 . . . . 64 LEU CD2 . 16507 1 723 . 1 1 64 64 LEU CG C 13 27.954 0.1 . 1 . . . . 64 LEU CG . 16507 1 724 . 1 1 64 64 LEU N N 15 126.960 0.1 . 1 . . . . 64 LEU N . 16507 1 725 . 1 1 65 65 ILE H H 1 8.850 0.02 . 1 . . . . 65 ILE H . 16507 1 726 . 1 1 65 65 ILE HA H 1 4.210 0.02 . 1 . . . . 65 ILE HA . 16507 1 727 . 1 1 65 65 ILE HB H 1 1.741 0.02 . 1 . . . . 65 ILE HB . 16507 1 728 . 1 1 65 65 ILE HD11 H 1 0.509 0.02 . 1 . . . . 65 ILE QD1 . 16507 1 729 . 1 1 65 65 ILE HD12 H 1 0.509 0.02 . 1 . . . . 65 ILE QD1 . 16507 1 730 . 1 1 65 65 ILE HD13 H 1 0.509 0.02 . 1 . . . . 65 ILE QD1 . 16507 1 731 . 1 1 65 65 ILE HG12 H 1 1.267 0.02 . 2 . . . . 65 ILE HG12 . 16507 1 732 . 1 1 65 65 ILE HG13 H 1 0.951 0.02 . 2 . . . . 65 ILE HG13 . 16507 1 733 . 1 1 65 65 ILE HG21 H 1 0.703 0.02 . 1 . . . . 65 ILE QG2 . 16507 1 734 . 1 1 65 65 ILE HG22 H 1 0.703 0.02 . 1 . . . . 65 ILE QG2 . 16507 1 735 . 1 1 65 65 ILE HG23 H 1 0.703 0.02 . 1 . . . . 65 ILE QG2 . 16507 1 736 . 1 1 65 65 ILE C C 13 175.826 0.1 . 1 . . . . 65 ILE C . 16507 1 737 . 1 1 65 65 ILE CA C 13 60.353 0.1 . 1 . . . . 65 ILE CA . 16507 1 738 . 1 1 65 65 ILE CB C 13 37.463 0.1 . 1 . . . . 65 ILE CB . 16507 1 739 . 1 1 65 65 ILE CD1 C 13 10.46 0.1 . 1 . . . . 65 ILE CD1 . 16507 1 740 . 1 1 65 65 ILE CG1 C 13 26.660 0.1 . 1 . . . . 65 ILE CG1 . 16507 1 741 . 1 1 65 65 ILE CG2 C 13 17.226 0.1 . 1 . . . . 65 ILE CG2 . 16507 1 742 . 1 1 65 65 ILE N N 15 122.861 0.1 . 1 . . . . 65 ILE N . 16507 1 743 . 1 1 66 66 ALA H H 1 7.883 0.02 . 1 . . . . 66 ALA H . 16507 1 744 . 1 1 66 66 ALA HA H 1 4.982 0.02 . 1 . . . . 66 ALA HA . 16507 1 745 . 1 1 66 66 ALA HB1 H 1 1.109 0.02 . 1 . . . . 66 ALA QB . 16507 1 746 . 1 1 66 66 ALA HB2 H 1 1.109 0.02 . 1 . . . . 66 ALA QB . 16507 1 747 . 1 1 66 66 ALA HB3 H 1 1.109 0.02 . 1 . . . . 66 ALA QB . 16507 1 748 . 1 1 66 66 ALA C C 13 175.288 0.1 . 1 . . . . 66 ALA C . 16507 1 749 . 1 1 66 66 ALA CA C 13 52.518 0.1 . 1 . . . . 66 ALA CA . 16507 1 750 . 1 1 66 66 ALA CB C 13 22.602 0.1 . 1 . . . . 66 ALA CB . 16507 1 751 . 1 1 66 66 ALA N N 15 121.265 0.1 . 1 . . . . 66 ALA N . 16507 1 752 . 1 1 67 67 VAL H H 1 8.328 0.02 . 1 . . . . 67 VAL H . 16507 1 753 . 1 1 67 67 VAL HA H 1 4.955 0.02 . 1 . . . . 67 VAL HA . 16507 1 754 . 1 1 67 67 VAL HB H 1 1.771 0.02 . 1 . . . . 67 VAL HB . 16507 1 755 . 1 1 67 67 VAL HG11 H 1 0.882 0.02 . 2 . . . . 67 VAL QG1 . 16507 1 756 . 1 1 67 67 VAL HG12 H 1 0.882 0.02 . 2 . . . . 67 VAL QG1 . 16507 1 757 . 1 1 67 67 VAL HG13 H 1 0.882 0.02 . 2 . . . . 67 VAL QG1 . 16507 1 758 . 1 1 67 67 VAL HG21 H 1 0.837 0.02 . 2 . . . . 67 VAL QG2 . 16507 1 759 . 1 1 67 67 VAL HG22 H 1 0.837 0.02 . 2 . . . . 67 VAL QG2 . 16507 1 760 . 1 1 67 67 VAL HG23 H 1 0.837 0.02 . 2 . . . . 67 VAL QG2 . 16507 1 761 . 1 1 67 67 VAL C C 13 174.929 0.1 . 1 . . . . 67 VAL C . 16507 1 762 . 1 1 67 67 VAL CA C 13 59.590 0.1 . 1 . . . . 67 VAL CA . 16507 1 763 . 1 1 67 67 VAL CB C 13 34.865 0.1 . 1 . . . . 67 VAL CB . 16507 1 764 . 1 1 67 67 VAL CG1 C 13 19.811 0.1 . 1 . . . . 67 VAL CG1 . 16507 1 765 . 1 1 67 67 VAL CG2 C 13 21.362 0.1 . 1 . . . . 67 VAL CG2 . 16507 1 766 . 1 1 67 67 VAL N N 15 117.552 0.1 . 1 . . . . 67 VAL N . 16507 1 767 . 1 1 68 68 ASN H H 1 9.903 0.02 . 1 . . . . 68 ASN H . 16507 1 768 . 1 1 68 68 ASN HA H 1 4.479 0.02 . 1 . . . . 68 ASN HA . 16507 1 769 . 1 1 68 68 ASN HB2 H 1 2.865 0.02 . 2 . . . . 68 ASN HB2 . 16507 1 770 . 1 1 68 68 ASN HB3 H 1 3.140 0.02 . 2 . . . . 68 ASN HB3 . 16507 1 771 . 1 1 68 68 ASN HD21 H 1 7.710 0.02 . 2 . . . . 68 ASN HD21 . 16507 1 772 . 1 1 68 68 ASN HD22 H 1 6.614 0.02 . 2 . . . . 68 ASN HD22 . 16507 1 773 . 1 1 68 68 ASN C C 13 175.222 0.1 . 1 . . . . 68 ASN C . 16507 1 774 . 1 1 68 68 ASN CA C 13 54.124 0.1 . 1 . . . . 68 ASN CA . 16507 1 775 . 1 1 68 68 ASN CB C 13 37.567 0.1 . 1 . . . . 68 ASN CB . 16507 1 776 . 1 1 68 68 ASN N N 15 126.925 0.1 . 1 . . . . 68 ASN N . 16507 1 777 . 1 1 68 68 ASN ND2 N 15 111.761 0.1 . 1 . . . . 68 ASN ND2 . 16507 1 778 . 1 1 69 69 GLY H H 1 8.978 0.02 . 1 . . . . 69 GLY H . 16507 1 779 . 1 1 69 69 GLY HA2 H 1 3.542 0.02 . 2 . . . . 69 GLY HA2 . 16507 1 780 . 1 1 69 69 GLY HA3 H 1 4.139 0.02 . 2 . . . . 69 GLY HA3 . 16507 1 781 . 1 1 69 69 GLY C C 13 173.900 0.1 . 1 . . . . 69 GLY C . 16507 1 782 . 1 1 69 69 GLY CA C 13 45.547 0.1 . 1 . . . . 69 GLY CA . 16507 1 783 . 1 1 69 69 GLY N N 15 104.105 0.1 . 1 . . . . 69 GLY N . 16507 1 784 . 1 1 70 70 GLU H H 1 8.112 0.02 . 1 . . . . 70 GLU H . 16507 1 785 . 1 1 70 70 GLU HA H 1 4.473 0.02 . 1 . . . . 70 GLU HA . 16507 1 786 . 1 1 70 70 GLU HB2 H 1 1.950 0.02 . 2 . . . . 70 GLU HB2 . 16507 1 787 . 1 1 70 70 GLU HB3 H 1 1.950 0.02 . 2 . . . . 70 GLU HB3 . 16507 1 788 . 1 1 70 70 GLU HG2 H 1 2.097 0.02 . 2 . . . . 70 GLU HG2 . 16507 1 789 . 1 1 70 70 GLU HG3 H 1 2.159 0.02 . 2 . . . . 70 GLU HG3 . 16507 1 790 . 1 1 70 70 GLU C C 13 175.565 0.1 . 1 . . . . 70 GLU C . 16507 1 791 . 1 1 70 70 GLU CA C 13 55.188 0.1 . 1 . . . . 70 GLU CA . 16507 1 792 . 1 1 70 70 GLU CB C 13 30.292 0.1 . 1 . . . . 70 GLU CB . 16507 1 793 . 1 1 70 70 GLU CG C 13 36.045 0.1 . 1 . . . . 70 GLU CG . 16507 1 794 . 1 1 70 70 GLU N N 15 122.798 0.1 . 1 . . . . 70 GLU N . 16507 1 795 . 1 1 71 71 SER H H 1 8.593 0.02 . 1 . . . . 71 SER H . 16507 1 796 . 1 1 71 71 SER HA H 1 4.586 0.02 . 1 . . . . 71 SER HA . 16507 1 797 . 1 1 71 71 SER HB2 H 1 3.879 0.02 . 2 . . . . 71 SER HB2 . 16507 1 798 . 1 1 71 71 SER HB3 H 1 3.879 0.02 . 2 . . . . 71 SER HB3 . 16507 1 799 . 1 1 71 71 SER C C 13 174.488 0.1 . 1 . . . . 71 SER C . 16507 1 800 . 1 1 71 71 SER CA C 13 58.521 0.1 . 1 . . . . 71 SER CA . 16507 1 801 . 1 1 71 71 SER CB C 13 64.485 0.1 . 1 . . . . 71 SER CB . 16507 1 802 . 1 1 71 71 SER N N 15 118.333 0.1 . 1 . . . . 71 SER N . 16507 1 803 . 1 1 72 72 LEU H H 1 8.539 0.02 . 1 . . . . 72 LEU H . 16507 1 804 . 1 1 72 72 LEU HA H 1 4.330 0.02 . 1 . . . . 72 LEU HA . 16507 1 805 . 1 1 72 72 LEU HB2 H 1 1.494 0.02 . 2 . . . . 72 LEU HB2 . 16507 1 806 . 1 1 72 72 LEU HB3 H 1 1.494 0.02 . 2 . . . . 72 LEU HB3 . 16507 1 807 . 1 1 72 72 LEU HD11 H 1 0.635 0.02 . 2 . . . . 72 LEU QD1 . 16507 1 808 . 1 1 72 72 LEU HD12 H 1 0.635 0.02 . 2 . . . . 72 LEU QD1 . 16507 1 809 . 1 1 72 72 LEU HD13 H 1 0.635 0.02 . 2 . . . . 72 LEU QD1 . 16507 1 810 . 1 1 72 72 LEU HD21 H 1 0.746 0.02 . 2 . . . . 72 LEU QD2 . 16507 1 811 . 1 1 72 72 LEU HD22 H 1 0.746 0.02 . 2 . . . . 72 LEU QD2 . 16507 1 812 . 1 1 72 72 LEU HD23 H 1 0.746 0.02 . 2 . . . . 72 LEU QD2 . 16507 1 813 . 1 1 72 72 LEU C C 13 177.899 0.1 . 1 . . . . 72 LEU C . 16507 1 814 . 1 1 72 72 LEU CA C 13 54.810 0.1 . 1 . . . . 72 LEU CA . 16507 1 815 . 1 1 72 72 LEU CB C 13 41.724 0.1 . 1 . . . . 72 LEU CB . 16507 1 816 . 1 1 72 72 LEU CD1 C 13 23.224 0.1 . 1 . . . . 72 LEU CD1 . 16507 1 817 . 1 1 72 72 LEU CD2 C 13 25.499 0.1 . 1 . . . . 72 LEU CD2 . 16507 1 818 . 1 1 72 72 LEU N N 15 122.657 0.1 . 1 . . . . 72 LEU N . 16507 1 819 . 1 1 73 73 LEU H H 1 7.871 0.02 . 1 . . . . 73 LEU H . 16507 1 820 . 1 1 73 73 LEU HA H 1 4.254 0.02 . 1 . . . . 73 LEU HA . 16507 1 821 . 1 1 73 73 LEU HB2 H 1 1.469 0.02 . 2 . . . . 73 LEU HB2 . 16507 1 822 . 1 1 73 73 LEU HB3 H 1 1.619 0.02 . 2 . . . . 73 LEU HB3 . 16507 1 823 . 1 1 73 73 LEU HD11 H 1 0.848 0.02 . 2 . . . . 73 LEU QD1 . 16507 1 824 . 1 1 73 73 LEU HD12 H 1 0.848 0.02 . 2 . . . . 73 LEU QD1 . 16507 1 825 . 1 1 73 73 LEU HD13 H 1 0.848 0.02 . 2 . . . . 73 LEU QD1 . 16507 1 826 . 1 1 73 73 LEU HD21 H 1 0.828 0.02 . 2 . . . . 73 LEU QD2 . 16507 1 827 . 1 1 73 73 LEU HD22 H 1 0.828 0.02 . 2 . . . . 73 LEU QD2 . 16507 1 828 . 1 1 73 73 LEU HD23 H 1 0.828 0.02 . 2 . . . . 73 LEU QD2 . 16507 1 829 . 1 1 73 73 LEU HG H 1 1.699 0.02 . 1 . . . . 73 LEU HG . 16507 1 830 . 1 1 73 73 LEU C C 13 177.915 0.1 . 1 . . . . 73 LEU C . 16507 1 831 . 1 1 73 73 LEU CA C 13 55.646 0.1 . 1 . . . . 73 LEU CA . 16507 1 832 . 1 1 73 73 LEU CB C 13 42.452 0.1 . 1 . . . . 73 LEU CB . 16507 1 833 . 1 1 73 73 LEU CD1 C 13 23.120 0.1 . 1 . . . . 73 LEU CD1 . 16507 1 834 . 1 1 73 73 LEU CD2 C 13 25.366 0.1 . 1 . . . . 73 LEU CD2 . 16507 1 835 . 1 1 73 73 LEU CG C 13 26.984 0.1 . 1 . . . . 73 LEU CG . 16507 1 836 . 1 1 73 73 LEU N N 15 120.541 0.1 . 1 . . . . 73 LEU N . 16507 1 837 . 1 1 74 74 GLY H H 1 8.975 0.02 . 1 . . . . 74 GLY H . 16507 1 838 . 1 1 74 74 GLY HA2 H 1 4.015 0.02 . 2 . . . . 74 GLY HA2 . 16507 1 839 . 1 1 74 74 GLY HA3 H 1 3.684 0.02 . 2 . . . . 74 GLY HA3 . 16507 1 840 . 1 1 74 74 GLY C C 13 173.998 0.1 . 1 . . . . 74 GLY C . 16507 1 841 . 1 1 74 74 GLY CA C 13 45.903 0.1 . 1 . . . . 74 GLY CA . 16507 1 842 . 1 1 74 74 GLY N N 15 110.065 0.1 . 1 . . . . 74 GLY N . 16507 1 843 . 1 1 75 75 LYS H H 1 6.968 0.02 . 1 . . . . 75 LYS H . 16507 1 844 . 1 1 75 75 LYS HA H 1 4.530 0.02 . 1 . . . . 75 LYS HA . 16507 1 845 . 1 1 75 75 LYS HB2 H 1 1.810 0.02 . 2 . . . . 75 LYS HB2 . 16507 1 846 . 1 1 75 75 LYS HB3 H 1 1.585 0.02 . 2 . . . . 75 LYS HB3 . 16507 1 847 . 1 1 75 75 LYS HD2 H 1 1.386 0.02 . 2 . . . . 75 LYS HD2 . 16507 1 848 . 1 1 75 75 LYS HD3 H 1 1.386 0.02 . 2 . . . . 75 LYS HD3 . 16507 1 849 . 1 1 75 75 LYS HE2 H 1 3.057 0.02 . 2 . . . . 75 LYS HE2 . 16507 1 850 . 1 1 75 75 LYS HE3 H 1 3.057 0.02 . 2 . . . . 75 LYS HE3 . 16507 1 851 . 1 1 75 75 LYS HG2 H 1 1.257 0.02 . 2 . . . . 75 LYS HG2 . 16507 1 852 . 1 1 75 75 LYS HG3 H 1 1.257 0.02 . 2 . . . . 75 LYS HG3 . 16507 1 853 . 1 1 75 75 LYS C C 13 176.430 0.1 . 1 . . . . 75 LYS C . 16507 1 854 . 1 1 75 75 LYS CA C 13 54.806 0.1 . 1 . . . . 75 LYS CA . 16507 1 855 . 1 1 75 75 LYS CB C 13 36.216 0.1 . 1 . . . . 75 LYS CB . 16507 1 856 . 1 1 75 75 LYS CD C 13 29.945 0.1 . 1 . . . . 75 LYS CD . 16507 1 857 . 1 1 75 75 LYS CE C 13 42.838 0.1 . 1 . . . . 75 LYS CE . 16507 1 858 . 1 1 75 75 LYS CG C 13 25.188 0.1 . 1 . . . . 75 LYS CG . 16507 1 859 . 1 1 75 75 LYS N N 15 117.366 0.1 . 1 . . . . 75 LYS N . 16507 1 860 . 1 1 76 76 ALA H H 1 8.905 0.02 . 1 . . . . 76 ALA H . 16507 1 861 . 1 1 76 76 ALA HA H 1 4.397 0.02 . 1 . . . . 76 ALA HA . 16507 1 862 . 1 1 76 76 ALA HB1 H 1 1.578 0.02 . 1 . . . . 76 ALA QB . 16507 1 863 . 1 1 76 76 ALA HB2 H 1 1.578 0.02 . 1 . . . . 76 ALA QB . 16507 1 864 . 1 1 76 76 ALA HB3 H 1 1.578 0.02 . 1 . . . . 76 ALA QB . 16507 1 865 . 1 1 76 76 ALA C C 13 178.225 0.1 . 1 . . . . 76 ALA C . 16507 1 866 . 1 1 76 76 ALA CA C 13 52.213 0.1 . 1 . . . . 76 ALA CA . 16507 1 867 . 1 1 76 76 ALA CB C 13 18.964 0.1 . 1 . . . . 76 ALA CB . 16507 1 868 . 1 1 76 76 ALA N N 15 125.700 0.1 . 1 . . . . 76 ALA N . 16507 1 869 . 1 1 77 77 ASN H H 1 10.239 0.02 . 1 . . . . 77 ASN H . 16507 1 870 . 1 1 77 77 ASN HA H 1 4.330 0.02 . 1 . . . . 77 ASN HA . 16507 1 871 . 1 1 77 77 ASN HB2 H 1 2.626 0.02 . 2 . . . . 77 ASN HB2 . 16507 1 872 . 1 1 77 77 ASN HB3 H 1 2.950 0.02 . 2 . . . . 77 ASN HB3 . 16507 1 873 . 1 1 77 77 ASN HD21 H 1 7.986 0.02 . 2 . . . . 77 ASN HD21 . 16507 1 874 . 1 1 77 77 ASN HD22 H 1 6.977 0.02 . 2 . . . . 77 ASN HD22 . 16507 1 875 . 1 1 77 77 ASN C C 13 178.062 0.1 . 1 . . . . 77 ASN C . 16507 1 876 . 1 1 77 77 ASN CA C 13 56.588 0.1 . 1 . . . . 77 ASN CA . 16507 1 877 . 1 1 77 77 ASN CB C 13 36.944 0.1 . 1 . . . . 77 ASN CB . 16507 1 878 . 1 1 77 77 ASN N N 15 122.910 0.1 . 1 . . . . 77 ASN N . 16507 1 879 . 1 1 77 77 ASN ND2 N 15 109.706 0.1 . 1 . . . . 77 ASN ND2 . 16507 1 880 . 1 1 78 78 GLN H H 1 9.119 0.02 . 1 . . . . 78 GLN H . 16507 1 881 . 1 1 78 78 GLN HA H 1 4.034 0.02 . 1 . . . . 78 GLN HA . 16507 1 882 . 1 1 78 78 GLN HB2 H 1 2.113 0.02 . 2 . . . . 78 GLN HB2 . 16507 1 883 . 1 1 78 78 GLN HB3 H 1 2.024 0.02 . 2 . . . . 78 GLN HB3 . 16507 1 884 . 1 1 78 78 GLN HE21 H 1 7.674 0.02 . 2 . . . . 78 GLN HE21 . 16507 1 885 . 1 1 78 78 GLN HE22 H 1 6.863 0.02 . 2 . . . . 78 GLN HE22 . 16507 1 886 . 1 1 78 78 GLN HG2 H 1 2.436 0.02 . 2 . . . . 78 GLN HG2 . 16507 1 887 . 1 1 78 78 GLN HG3 H 1 2.436 0.02 . 2 . . . . 78 GLN HG3 . 16507 1 888 . 1 1 78 78 GLN C C 13 178.535 0.1 . 1 . . . . 78 GLN C . 16507 1 889 . 1 1 78 78 GLN CA C 13 59.869 0.1 . 1 . . . . 78 GLN CA . 16507 1 890 . 1 1 78 78 GLN CB C 13 28.241 0.1 . 1 . . . . 78 GLN CB . 16507 1 891 . 1 1 78 78 GLN CG C 13 33.875 0.1 . 1 . . . . 78 GLN CG . 16507 1 892 . 1 1 78 78 GLN N N 15 117.790 0.1 . 1 . . . . 78 GLN N . 16507 1 893 . 1 1 78 78 GLN NE2 N 15 112.532 0.1 . 1 . . . . 78 GLN NE2 . 16507 1 894 . 1 1 79 79 GLU H H 1 6.909 0.02 . 1 . . . . 79 GLU H . 16507 1 895 . 1 1 79 79 GLU HA H 1 4.179 0.02 . 1 . . . . 79 GLU HA . 16507 1 896 . 1 1 79 79 GLU HB2 H 1 2.055 0.02 . 2 . . . . 79 GLU HB2 . 16507 1 897 . 1 1 79 79 GLU HB3 H 1 2.241 0.02 . 2 . . . . 79 GLU HB3 . 16507 1 898 . 1 1 79 79 GLU HG2 H 1 2.354 0.02 . 2 . . . . 79 GLU HG2 . 16507 1 899 . 1 1 79 79 GLU HG3 H 1 2.260 0.02 . 2 . . . . 79 GLU HG3 . 16507 1 900 . 1 1 79 79 GLU C C 13 179.596 0.1 . 1 . . . . 79 GLU C . 16507 1 901 . 1 1 79 79 GLU CA C 13 58.826 0.1 . 1 . . . . 79 GLU CA . 16507 1 902 . 1 1 79 79 GLU CB C 13 30.188 0.1 . 1 . . . . 79 GLU CB . 16507 1 903 . 1 1 79 79 GLU CG C 13 36.733 0.1 . 1 . . . . 79 GLU CG . 16507 1 904 . 1 1 79 79 GLU N N 15 119.343 0.1 . 1 . . . . 79 GLU N . 16507 1 905 . 1 1 80 80 ALA H H 1 8.926 0.02 . 1 . . . . 80 ALA H . 16507 1 906 . 1 1 80 80 ALA HA H 1 3.922 0.02 . 1 . . . . 80 ALA HA . 16507 1 907 . 1 1 80 80 ALA HB1 H 1 1.523 0.02 . 1 . . . . 80 ALA QB . 16507 1 908 . 1 1 80 80 ALA HB2 H 1 1.523 0.02 . 1 . . . . 80 ALA QB . 16507 1 909 . 1 1 80 80 ALA HB3 H 1 1.523 0.02 . 1 . . . . 80 ALA QB . 16507 1 910 . 1 1 80 80 ALA C C 13 179.335 0.1 . 1 . . . . 80 ALA C . 16507 1 911 . 1 1 80 80 ALA CA C 13 55.773 0.1 . 1 . . . . 80 ALA CA . 16507 1 912 . 1 1 80 80 ALA CB C 13 18.860 0.1 . 1 . . . . 80 ALA CB . 16507 1 913 . 1 1 80 80 ALA N N 15 124.968 0.1 . 1 . . . . 80 ALA N . 16507 1 914 . 1 1 81 81 MET H H 1 8.533 0.02 . 1 . . . . 81 MET H . 16507 1 915 . 1 1 81 81 MET HA H 1 3.971 0.02 . 1 . . . . 81 MET HA . 16507 1 916 . 1 1 81 81 MET HB2 H 1 2.241 0.02 . 2 . . . . 81 MET HB2 . 16507 1 917 . 1 1 81 81 MET HB3 H 1 2.016 0.02 . 2 . . . . 81 MET HB3 . 16507 1 918 . 1 1 81 81 MET HE1 H 1 1.938 0.02 . 1 . . . . 81 MET QE . 16507 1 919 . 1 1 81 81 MET HE2 H 1 1.938 0.02 . 1 . . . . 81 MET QE . 16507 1 920 . 1 1 81 81 MET HE3 H 1 1.938 0.02 . 1 . . . . 81 MET QE . 16507 1 921 . 1 1 81 81 MET HG2 H 1 2.503 0.02 . 2 . . . . 81 MET HG2 . 16507 1 922 . 1 1 81 81 MET HG3 H 1 2.584 0.02 . 2 . . . . 81 MET HG3 . 16507 1 923 . 1 1 81 81 MET C C 13 178.241 0.1 . 1 . . . . 81 MET C . 16507 1 924 . 1 1 81 81 MET CA C 13 59.090 0.1 . 1 . . . . 81 MET CA . 16507 1 925 . 1 1 81 81 MET CB C 13 32.579 0.1 . 1 . . . . 81 MET CB . 16507 1 926 . 1 1 81 81 MET CE C 13 18.23 0.1 . 1 . . . . 81 MET CE . 16507 1 927 . 1 1 81 81 MET CG C 13 33.875 0.1 . 1 . . . . 81 MET CG . 16507 1 928 . 1 1 81 81 MET N N 15 117.021 0.1 . 1 . . . . 81 MET N . 16507 1 929 . 1 1 82 82 GLU H H 1 7.680 0.02 . 1 . . . . 82 GLU H . 16507 1 930 . 1 1 82 82 GLU HA H 1 4.131 0.02 . 1 . . . . 82 GLU HA . 16507 1 931 . 1 1 82 82 GLU HB2 H 1 2.096 0.02 . 2 . . . . 82 GLU HB2 . 16507 1 932 . 1 1 82 82 GLU HB3 H 1 2.160 0.02 . 2 . . . . 82 GLU HB3 . 16507 1 933 . 1 1 82 82 GLU HG2 H 1 2.372 0.02 . 2 . . . . 82 GLU HG2 . 16507 1 934 . 1 1 82 82 GLU HG3 H 1 2.372 0.02 . 2 . . . . 82 GLU HG3 . 16507 1 935 . 1 1 82 82 GLU C C 13 179.139 0.1 . 1 . . . . 82 GLU C . 16507 1 936 . 1 1 82 82 GLU CA C 13 59.737 0.1 . 1 . . . . 82 GLU CA . 16507 1 937 . 1 1 82 82 GLU CB C 13 29.251 0.1 . 1 . . . . 82 GLU CB . 16507 1 938 . 1 1 82 82 GLU CG C 13 35.943 0.1 . 1 . . . . 82 GLU CG . 16507 1 939 . 1 1 82 82 GLU N N 15 119.442 0.1 . 1 . . . . 82 GLU N . 16507 1 940 . 1 1 83 83 THR H H 1 8.162 0.02 . 1 . . . . 83 THR H . 16507 1 941 . 1 1 83 83 THR HA H 1 3.815 0.02 . 1 . . . . 83 THR HA . 16507 1 942 . 1 1 83 83 THR HB H 1 4.238 0.02 . 1 . . . . 83 THR HB . 16507 1 943 . 1 1 83 83 THR HG21 H 1 1.049 0.02 . 1 . . . . 83 THR QG2 . 16507 1 944 . 1 1 83 83 THR HG22 H 1 1.049 0.02 . 1 . . . . 83 THR QG2 . 16507 1 945 . 1 1 83 83 THR HG23 H 1 1.049 0.02 . 1 . . . . 83 THR QG2 . 16507 1 946 . 1 1 83 83 THR C C 13 176.740 0.1 . 1 . . . . 83 THR C . 16507 1 947 . 1 1 83 83 THR CA C 13 67.628 0.1 . 1 . . . . 83 THR CA . 16507 1 948 . 1 1 83 83 THR CB C 13 69.162 0.1 . 1 . . . . 83 THR CB . 16507 1 949 . 1 1 83 83 THR CG2 C 13 21.483 0.1 . 1 . . . . 83 THR CG2 . 16507 1 950 . 1 1 83 83 THR N N 15 117.987 0.1 . 1 . . . . 83 THR N . 16507 1 951 . 1 1 84 84 LEU H H 1 8.169 0.02 . 1 . . . . 84 LEU H . 16507 1 952 . 1 1 84 84 LEU HA H 1 3.882 0.02 . 1 . . . . 84 LEU HA . 16507 1 953 . 1 1 84 84 LEU HB2 H 1 1.716 0.02 . 2 . . . . 84 LEU HB2 . 16507 1 954 . 1 1 84 84 LEU HB3 H 1 1.716 0.02 . 2 . . . . 84 LEU HB3 . 16507 1 955 . 1 1 84 84 LEU HD11 H 1 0.778 0.02 . 2 . . . . 84 LEU QD1 . 16507 1 956 . 1 1 84 84 LEU HD12 H 1 0.778 0.02 . 2 . . . . 84 LEU QD1 . 16507 1 957 . 1 1 84 84 LEU HD13 H 1 0.778 0.02 . 2 . . . . 84 LEU QD1 . 16507 1 958 . 1 1 84 84 LEU HG H 1 1.547 0.02 . 1 . . . . 84 LEU HG . 16507 1 959 . 1 1 84 84 LEU C C 13 177.948 0.1 . 1 . . . . 84 LEU C . 16507 1 960 . 1 1 84 84 LEU CA C 13 58.699 0.1 . 1 . . . . 84 LEU CA . 16507 1 961 . 1 1 84 84 LEU CB C 13 42.348 0.1 . 1 . . . . 84 LEU CB . 16507 1 962 . 1 1 84 84 LEU CD1 C 13 25.292 0.1 . 1 . . . . 84 LEU CD1 . 16507 1 963 . 1 1 84 84 LEU CG C 13 27.307 0.1 . 1 . . . . 84 LEU CG . 16507 1 964 . 1 1 84 84 LEU N N 15 123.304 0.1 . 1 . . . . 84 LEU N . 16507 1 965 . 1 1 85 85 ARG H H 1 8.360 0.02 . 1 . . . . 85 ARG H . 16507 1 966 . 1 1 85 85 ARG HA H 1 3.823 0.02 . 1 . . . . 85 ARG HA . 16507 1 967 . 1 1 85 85 ARG HB2 H 1 1.895 0.02 . 2 . . . . 85 ARG HB2 . 16507 1 968 . 1 1 85 85 ARG HB3 H 1 1.895 0.02 . 2 . . . . 85 ARG HB3 . 16507 1 969 . 1 1 85 85 ARG HD2 H 1 3.209 0.02 . 2 . . . . 85 ARG HD2 . 16507 1 970 . 1 1 85 85 ARG HD3 H 1 3.209 0.02 . 2 . . . . 85 ARG HD3 . 16507 1 971 . 1 1 85 85 ARG HE H 1 7.541 0.02 . 1 . . . . 85 ARG HE . 16507 1 972 . 1 1 85 85 ARG HG2 H 1 1.563 0.02 . 2 . . . . 85 ARG HG2 . 16507 1 973 . 1 1 85 85 ARG HG3 H 1 1.781 0.02 . 2 . . . . 85 ARG HG3 . 16507 1 974 . 1 1 85 85 ARG C C 13 179.808 0.1 . 1 . . . . 85 ARG C . 16507 1 975 . 1 1 85 85 ARG CA C 13 60.353 0.1 . 1 . . . . 85 ARG CA . 16507 1 976 . 1 1 85 85 ARG CB C 13 30.708 0.1 . 1 . . . . 85 ARG CB . 16507 1 977 . 1 1 85 85 ARG CD C 13 43.595 0.1 . 1 . . . . 85 ARG CD . 16507 1 978 . 1 1 85 85 ARG CG C 13 27.774 0.1 . 1 . . . . 85 ARG CG . 16507 1 979 . 1 1 85 85 ARG N N 15 118.654 0.1 . 1 . . . . 85 ARG N . 16507 1 980 . 1 1 85 85 ARG NE N 15 116.899 0.1 . 1 . . . . 85 ARG NE . 16507 1 981 . 1 1 86 86 ARG H H 1 8.224 0.02 . 1 . . . . 86 ARG H . 16507 1 982 . 1 1 86 86 ARG HA H 1 4.104 0.02 . 1 . . . . 86 ARG HA . 16507 1 983 . 1 1 86 86 ARG HB2 H 1 1.931 0.02 . 2 . . . . 86 ARG HB2 . 16507 1 984 . 1 1 86 86 ARG HB3 H 1 1.931 0.02 . 2 . . . . 86 ARG HB3 . 16507 1 985 . 1 1 86 86 ARG HD2 H 1 3.230 0.02 . 2 . . . . 86 ARG HD2 . 16507 1 986 . 1 1 86 86 ARG HD3 H 1 3.230 0.02 . 2 . . . . 86 ARG HD3 . 16507 1 987 . 1 1 86 86 ARG HE H 1 7.510 0.02 . 1 . . . . 86 ARG HE . 16507 1 988 . 1 1 86 86 ARG HG2 H 1 1.638 0.02 . 2 . . . . 86 ARG HG2 . 16507 1 989 . 1 1 86 86 ARG HG3 H 1 1.778 0.02 . 2 . . . . 86 ARG HG3 . 16507 1 990 . 1 1 86 86 ARG C C 13 179.482 0.1 . 1 . . . . 86 ARG C . 16507 1 991 . 1 1 86 86 ARG CA C 13 59.411 0.1 . 1 . . . . 86 ARG CA . 16507 1 992 . 1 1 86 86 ARG CB C 13 30.396 0.1 . 1 . . . . 86 ARG CB . 16507 1 993 . 1 1 86 86 ARG CD C 13 43.699 0.1 . 1 . . . . 86 ARG CD . 16507 1 994 . 1 1 86 86 ARG CG C 13 27.670 0.1 . 1 . . . . 86 ARG CG . 16507 1 995 . 1 1 86 86 ARG N N 15 118.703 0.1 . 1 . . . . 86 ARG N . 16507 1 996 . 1 1 86 86 ARG NE N 15 117.413 0.1 . 1 . . . . 86 ARG NE . 16507 1 997 . 1 1 87 87 SER H H 1 8.295 0.02 . 1 . . . . 87 SER H . 16507 1 998 . 1 1 87 87 SER HA H 1 4.275 0.02 . 1 . . . . 87 SER HA . 16507 1 999 . 1 1 87 87 SER HB2 H 1 3.959 0.02 . 2 . . . . 87 SER HB2 . 16507 1 1000 . 1 1 87 87 SER HB3 H 1 3.851 0.02 . 2 . . . . 87 SER HB3 . 16507 1 1001 . 1 1 87 87 SER C C 13 176.267 0.1 . 1 . . . . 87 SER C . 16507 1 1002 . 1 1 87 87 SER CA C 13 62.057 0.1 . 1 . . . . 87 SER CA . 16507 1 1003 . 1 1 87 87 SER CB C 13 63.965 0.1 . 1 . . . . 87 SER CB . 16507 1 1004 . 1 1 87 87 SER N N 15 115.931 0.1 . 1 . . . . 87 SER N . 16507 1 1005 . 1 1 88 88 MET H H 1 7.686 0.02 . 1 . . . . 88 MET H . 16507 1 1006 . 1 1 88 88 MET HA H 1 4.542 0.02 . 1 . . . . 88 MET HA . 16507 1 1007 . 1 1 88 88 MET HB2 H 1 2.101 0.02 . 2 . . . . 88 MET HB2 . 16507 1 1008 . 1 1 88 88 MET HB3 H 1 2.282 0.02 . 2 . . . . 88 MET HB3 . 16507 1 1009 . 1 1 88 88 MET HE1 H 1 2.052 0.02 . 1 . . . . 88 MET QE . 16507 1 1010 . 1 1 88 88 MET HE2 H 1 2.052 0.02 . 1 . . . . 88 MET QE . 16507 1 1011 . 1 1 88 88 MET HE3 H 1 2.052 0.02 . 1 . . . . 88 MET QE . 16507 1 1012 . 1 1 88 88 MET HG2 H 1 2.611 0.02 . 2 . . . . 88 MET HG2 . 16507 1 1013 . 1 1 88 88 MET HG3 H 1 2.708 0.02 . 2 . . . . 88 MET HG3 . 16507 1 1014 . 1 1 88 88 MET C C 13 177.360 0.1 . 1 . . . . 88 MET C . 16507 1 1015 . 1 1 88 88 MET CA C 13 55.494 0.1 . 1 . . . . 88 MET CA . 16507 1 1016 . 1 1 88 88 MET CB C 13 31.514 0.1 . 1 . . . . 88 MET CB . 16507 1 1017 . 1 1 88 88 MET CE C 13 16.61 0.1 . 1 . . . . 88 MET CE . 16507 1 1018 . 1 1 88 88 MET CG C 13 32.427 0.1 . 1 . . . . 88 MET CG . 16507 1 1019 . 1 1 88 88 MET N N 15 117.110 0.1 . 1 . . . . 88 MET N . 16507 1 1020 . 1 1 89 89 SER H H 1 7.641 0.02 . 1 . . . . 89 SER H . 16507 1 1021 . 1 1 89 89 SER HA H 1 4.535 0.02 . 1 . . . . 89 SER HA . 16507 1 1022 . 1 1 89 89 SER HB2 H 1 4.059 0.02 . 2 . . . . 89 SER HB2 . 16507 1 1023 . 1 1 89 89 SER HB3 H 1 3.998 0.02 . 2 . . . . 89 SER HB3 . 16507 1 1024 . 1 1 89 89 SER C C 13 175.288 0.1 . 1 . . . . 89 SER C . 16507 1 1025 . 1 1 89 89 SER CA C 13 59.284 0.1 . 1 . . . . 89 SER CA . 16507 1 1026 . 1 1 89 89 SER CB C 13 64.589 0.1 . 1 . . . . 89 SER CB . 16507 1 1027 . 1 1 89 89 SER N N 15 114.119 0.1 . 1 . . . . 89 SER N . 16507 1 1028 . 1 1 90 90 THR H H 1 8.058 0.02 . 1 . . . . 90 THR H . 16507 1 1029 . 1 1 90 90 THR HA H 1 4.372 0.02 . 1 . . . . 90 THR HA . 16507 1 1030 . 1 1 90 90 THR HB H 1 4.327 0.02 . 1 . . . . 90 THR HB . 16507 1 1031 . 1 1 90 90 THR HG21 H 1 1.267 0.02 . 1 . . . . 90 THR QG2 . 16507 1 1032 . 1 1 90 90 THR HG22 H 1 1.267 0.02 . 1 . . . . 90 THR QG2 . 16507 1 1033 . 1 1 90 90 THR HG23 H 1 1.267 0.02 . 1 . . . . 90 THR QG2 . 16507 1 1034 . 1 1 90 90 THR C C 13 175.353 0.1 . 1 . . . . 90 THR C . 16507 1 1035 . 1 1 90 90 THR CA C 13 62.998 0.1 . 1 . . . . 90 THR CA . 16507 1 1036 . 1 1 90 90 THR CB C 13 70.201 0.1 . 1 . . . . 90 THR CB . 16507 1 1037 . 1 1 90 90 THR CG2 C 13 21.673 0.1 . 1 . . . . 90 THR CG2 . 16507 1 1038 . 1 1 90 90 THR N N 15 115.656 0.1 . 1 . . . . 90 THR N . 16507 1 1039 . 1 1 91 91 GLU H H 1 8.444 0.02 . 1 . . . . 91 GLU H . 16507 1 1040 . 1 1 91 91 GLU HA H 1 4.233 0.02 . 1 . . . . 91 GLU HA . 16507 1 1041 . 1 1 91 91 GLU HB2 H 1 2.060 0.02 . 2 . . . . 91 GLU HB2 . 16507 1 1042 . 1 1 91 91 GLU HB3 H 1 1.992 0.02 . 2 . . . . 91 GLU HB3 . 16507 1 1043 . 1 1 91 91 GLU HG2 H 1 2.296 0.02 . 2 . . . . 91 GLU HG2 . 16507 1 1044 . 1 1 91 91 GLU HG3 H 1 2.296 0.02 . 2 . . . . 91 GLU HG3 . 16507 1 1045 . 1 1 91 91 GLU C C 13 177.866 0.1 . 1 . . . . 91 GLU C . 16507 1 1046 . 1 1 91 91 GLU CA C 13 57.987 0.1 . 1 . . . . 91 GLU CA . 16507 1 1047 . 1 1 91 91 GLU CB C 13 30.145 0.1 . 1 . . . . 91 GLU CB . 16507 1 1048 . 1 1 91 91 GLU CG C 13 36.564 0.1 . 1 . . . . 91 GLU CG . 16507 1 1049 . 1 1 91 91 GLU N N 15 122.499 0.1 . 1 . . . . 91 GLU N . 16507 1 1050 . 1 1 92 92 GLY H H 1 8.360 0.02 . 1 . . . . 92 GLY H . 16507 1 1051 . 1 1 92 92 GLY HA2 H 1 3.933 0.02 . 2 . . . . 92 GLY HA2 . 16507 1 1052 . 1 1 92 92 GLY HA3 H 1 3.933 0.02 . 2 . . . . 92 GLY HA3 . 16507 1 1053 . 1 1 92 92 GLY C C 13 174.537 0.1 . 1 . . . . 92 GLY C . 16507 1 1054 . 1 1 92 92 GLY CA C 13 46.259 0.1 . 1 . . . . 92 GLY CA . 16507 1 1055 . 1 1 92 92 GLY N N 15 108.939 0.1 . 1 . . . . 92 GLY N . 16507 1 1056 . 1 1 93 93 ASN H H 1 8.019 0.02 . 1 . . . . 93 ASN H . 16507 1 1057 . 1 1 93 93 ASN HA H 1 4.661 0.02 . 1 . . . . 93 ASN HA . 16507 1 1058 . 1 1 93 93 ASN HB2 H 1 2.819 0.02 . 2 . . . . 93 ASN HB2 . 16507 1 1059 . 1 1 93 93 ASN HB3 H 1 2.819 0.02 . 2 . . . . 93 ASN HB3 . 16507 1 1060 . 1 1 93 93 ASN HD21 H 1 7.635 0.02 . 2 . . . . 93 ASN HD21 . 16507 1 1061 . 1 1 93 93 ASN HD22 H 1 6.934 0.02 . 2 . . . . 93 ASN HD22 . 16507 1 1062 . 1 1 93 93 ASN C C 13 175.761 0.1 . 1 . . . . 93 ASN C . 16507 1 1063 . 1 1 93 93 ASN CA C 13 53.996 0.1 . 1 . . . . 93 ASN CA . 16507 1 1064 . 1 1 93 93 ASN CB C 13 39.022 0.1 . 1 . . . . 93 ASN CB . 16507 1 1065 . 1 1 93 93 ASN N N 15 118.408 0.1 . 1 . . . . 93 ASN N . 16507 1 1066 . 1 1 93 93 ASN ND2 N 15 113.188 0.1 . 1 . . . . 93 ASN ND2 . 16507 1 1067 . 1 1 94 94 LYS H H 1 8.052 0.02 . 1 . . . . 94 LYS H . 16507 1 1068 . 1 1 94 94 LYS HA H 1 4.282 0.02 . 1 . . . . 94 LYS HA . 16507 1 1069 . 1 1 94 94 LYS HB2 H 1 1.777 0.02 . 2 . . . . 94 LYS HB2 . 16507 1 1070 . 1 1 94 94 LYS HB3 H 1 1.857 0.02 . 2 . . . . 94 LYS HB3 . 16507 1 1071 . 1 1 94 94 LYS HD2 H 1 1.658 0.02 . 2 . . . . 94 LYS HD2 . 16507 1 1072 . 1 1 94 94 LYS HD3 H 1 1.658 0.02 . 2 . . . . 94 LYS HD3 . 16507 1 1073 . 1 1 94 94 LYS HE2 H 1 2.982 0.02 . 2 . . . . 94 LYS HE2 . 16507 1 1074 . 1 1 94 94 LYS HE3 H 1 2.982 0.02 . 2 . . . . 94 LYS HE3 . 16507 1 1075 . 1 1 94 94 LYS HG2 H 1 1.385 0.02 . 2 . . . . 94 LYS HG2 . 16507 1 1076 . 1 1 94 94 LYS HG3 H 1 1.463 0.02 . 2 . . . . 94 LYS HG3 . 16507 1 1077 . 1 1 94 94 LYS C C 13 176.903 0.1 . 1 . . . . 94 LYS C . 16507 1 1078 . 1 1 94 94 LYS CA C 13 57.122 0.1 . 1 . . . . 94 LYS CA . 16507 1 1079 . 1 1 94 94 LYS CB C 13 33.115 0.1 . 1 . . . . 94 LYS CB . 16507 1 1080 . 1 1 94 94 LYS CD C 13 29.325 0.1 . 1 . . . . 94 LYS CD . 16507 1 1081 . 1 1 94 94 LYS CE C 13 42.768 0.1 . 1 . . . . 94 LYS CE . 16507 1 1082 . 1 1 94 94 LYS CG C 13 25.063 0.1 . 1 . . . . 94 LYS CG . 16507 1 1083 . 1 1 94 94 LYS N N 15 120.576 0.1 . 1 . . . . 94 LYS N . 16507 1 1084 . 1 1 95 95 ARG H H 1 8.197 0.02 . 1 . . . . 95 ARG H . 16507 1 1085 . 1 1 95 95 ARG HA H 1 4.329 0.02 . 1 . . . . 95 ARG HA . 16507 1 1086 . 1 1 95 95 ARG HB2 H 1 1.904 0.02 . 2 . . . . 95 ARG HB2 . 16507 1 1087 . 1 1 95 95 ARG HB3 H 1 1.841 0.02 . 2 . . . . 95 ARG HB3 . 16507 1 1088 . 1 1 95 95 ARG HD2 H 1 3.220 0.02 . 2 . . . . 95 ARG HD2 . 16507 1 1089 . 1 1 95 95 ARG HD3 H 1 3.220 0.02 . 2 . . . . 95 ARG HD3 . 16507 1 1090 . 1 1 95 95 ARG HE H 1 7.246 0.02 . 1 . . . . 95 ARG HE . 16507 1 1091 . 1 1 95 95 ARG HG2 H 1 1.678 0.02 . 2 . . . . 95 ARG HG2 . 16507 1 1092 . 1 1 95 95 ARG HG3 H 1 1.634 0.02 . 2 . . . . 95 ARG HG3 . 16507 1 1093 . 1 1 95 95 ARG C C 13 177.034 0.1 . 1 . . . . 95 ARG C . 16507 1 1094 . 1 1 95 95 ARG CA C 13 56.715 0.1 . 1 . . . . 95 ARG CA . 16507 1 1095 . 1 1 95 95 ARG CB C 13 31.482 0.1 . 1 . . . . 95 ARG CB . 16507 1 1096 . 1 1 95 95 ARG CD C 13 43.906 0.1 . 1 . . . . 95 ARG CD . 16507 1 1097 . 1 1 95 95 ARG CG C 13 27.954 0.1 . 1 . . . . 95 ARG CG . 16507 1 1098 . 1 1 95 95 ARG N N 15 119.740 0.1 . 1 . . . . 95 ARG N . 16507 1 1099 . 1 1 95 95 ARG NE N 15 117.927 0.1 . 1 . . . . 95 ARG NE . 16507 1 1100 . 1 1 96 96 GLY H H 1 8.464 0.02 . 1 . . . . 96 GLY H . 16507 1 1101 . 1 1 96 96 GLY HA2 H 1 3.965 0.02 . 2 . . . . 96 GLY HA2 . 16507 1 1102 . 1 1 96 96 GLY HA3 H 1 3.965 0.02 . 2 . . . . 96 GLY HA3 . 16507 1 1103 . 1 1 96 96 GLY C C 13 173.623 0.1 . 1 . . . . 96 GLY C . 16507 1 1104 . 1 1 96 96 GLY CA C 13 46.031 0.1 . 1 . . . . 96 GLY CA . 16507 1 1105 . 1 1 96 96 GLY N N 15 108.562 0.1 . 1 . . . . 96 GLY N . 16507 1 1106 . 1 1 97 97 MET H H 1 7.654 0.02 . 1 . . . . 97 MET H . 16507 1 1107 . 1 1 97 97 MET HA H 1 5.052 0.02 . 1 . . . . 97 MET HA . 16507 1 1108 . 1 1 97 97 MET HB2 H 1 1.764 0.02 . 2 . . . . 97 MET HB2 . 16507 1 1109 . 1 1 97 97 MET HB3 H 1 1.847 0.02 . 2 . . . . 97 MET HB3 . 16507 1 1110 . 1 1 97 97 MET HE1 H 1 2.100 0.02 . 1 . . . . 97 MET QE . 16507 1 1111 . 1 1 97 97 MET HE2 H 1 2.100 0.02 . 1 . . . . 97 MET QE . 16507 1 1112 . 1 1 97 97 MET HE3 H 1 2.100 0.02 . 1 . . . . 97 MET QE . 16507 1 1113 . 1 1 97 97 MET HG2 H 1 2.312 0.02 . 2 . . . . 97 MET HG2 . 16507 1 1114 . 1 1 97 97 MET HG3 H 1 2.312 0.02 . 2 . . . . 97 MET HG3 . 16507 1 1115 . 1 1 97 97 MET C C 13 174.357 0.1 . 1 . . . . 97 MET C . 16507 1 1116 . 1 1 97 97 MET CA C 13 54.328 0.1 . 1 . . . . 97 MET CA . 16507 1 1117 . 1 1 97 97 MET CB C 13 35.979 0.1 . 1 . . . . 97 MET CB . 16507 1 1118 . 1 1 97 97 MET CE C 13 16.61 0.1 . 1 . . . . 97 MET CE . 16507 1 1119 . 1 1 97 97 MET CG C 13 31.703 0.1 . 1 . . . . 97 MET CG . 16507 1 1120 . 1 1 97 97 MET N N 15 118.287 0.1 . 1 . . . . 97 MET N . 16507 1 1121 . 1 1 98 98 ILE H H 1 8.627 0.02 . 1 . . . . 98 ILE H . 16507 1 1122 . 1 1 98 98 ILE HA H 1 4.704 0.02 . 1 . . . . 98 ILE HA . 16507 1 1123 . 1 1 98 98 ILE HB H 1 1.785 0.02 . 1 . . . . 98 ILE HB . 16507 1 1124 . 1 1 98 98 ILE HD11 H 1 0.847 0.02 . 1 . . . . 98 ILE QD1 . 16507 1 1125 . 1 1 98 98 ILE HD12 H 1 0.847 0.02 . 1 . . . . 98 ILE QD1 . 16507 1 1126 . 1 1 98 98 ILE HD13 H 1 0.847 0.02 . 1 . . . . 98 ILE QD1 . 16507 1 1127 . 1 1 98 98 ILE HG12 H 1 1.442 0.02 . 2 . . . . 98 ILE HG12 . 16507 1 1128 . 1 1 98 98 ILE HG13 H 1 1.156 0.02 . 2 . . . . 98 ILE HG13 . 16507 1 1129 . 1 1 98 98 ILE HG21 H 1 0.885 0.02 . 1 . . . . 98 ILE QG2 . 16507 1 1130 . 1 1 98 98 ILE HG22 H 1 0.885 0.02 . 1 . . . . 98 ILE QG2 . 16507 1 1131 . 1 1 98 98 ILE HG23 H 1 0.885 0.02 . 1 . . . . 98 ILE QG2 . 16507 1 1132 . 1 1 98 98 ILE C C 13 173.737 0.1 . 1 . . . . 98 ILE C . 16507 1 1133 . 1 1 98 98 ILE CA C 13 58.878 0.1 . 1 . . . . 98 ILE CA . 16507 1 1134 . 1 1 98 98 ILE CB C 13 40.897 0.1 . 1 . . . . 98 ILE CB . 16507 1 1135 . 1 1 98 98 ILE CD1 C 13 13.717 0.1 . 1 . . . . 98 ILE CD1 . 16507 1 1136 . 1 1 98 98 ILE CG1 C 13 28.394 0.1 . 1 . . . . 98 ILE CG1 . 16507 1 1137 . 1 1 98 98 ILE CG2 C 13 17.600 0.1 . 1 . . . . 98 ILE CG2 . 16507 1 1138 . 1 1 98 98 ILE N N 15 121.884 0.1 . 1 . . . . 98 ILE N . 16507 1 1139 . 1 1 99 99 GLN H H 1 8.497 0.02 . 1 . . . . 99 GLN H . 16507 1 1140 . 1 1 99 99 GLN HA H 1 5.036 0.02 . 1 . . . . 99 GLN HA . 16507 1 1141 . 1 1 99 99 GLN HB2 H 1 1.990 0.02 . 2 . . . . 99 GLN HB2 . 16507 1 1142 . 1 1 99 99 GLN HB3 H 1 2.092 0.02 . 2 . . . . 99 GLN HB3 . 16507 1 1143 . 1 1 99 99 GLN HE21 H 1 7.878 0.02 . 2 . . . . 99 GLN HE21 . 16507 1 1144 . 1 1 99 99 GLN HE22 H 1 6.776 0.02 . 2 . . . . 99 GLN HE22 . 16507 1 1145 . 1 1 99 99 GLN HG2 H 1 2.211 0.02 . 2 . . . . 99 GLN HG2 . 16507 1 1146 . 1 1 99 99 GLN HG3 H 1 1.778 0.02 . 2 . . . . 99 GLN HG3 . 16507 1 1147 . 1 1 99 99 GLN C C 13 174.912 0.1 . 1 . . . . 99 GLN C . 16507 1 1148 . 1 1 99 99 GLN CA C 13 55.061 0.1 . 1 . . . . 99 GLN CA . 16507 1 1149 . 1 1 99 99 GLN CB C 13 31.514 0.1 . 1 . . . . 99 GLN CB . 16507 1 1150 . 1 1 99 99 GLN CG C 13 35.529 0.1 . 1 . . . . 99 GLN CG . 16507 1 1151 . 1 1 99 99 GLN N N 15 126.763 0.1 . 1 . . . . 99 GLN N . 16507 1 1152 . 1 1 99 99 GLN NE2 N 15 113.045 0.1 . 1 . . . . 99 GLN NE2 . 16507 1 1153 . 1 1 100 100 LEU H H 1 9.260 0.02 . 1 . . . . 100 LEU H . 16507 1 1154 . 1 1 100 100 LEU HA H 1 5.170 0.02 . 1 . . . . 100 LEU HA . 16507 1 1155 . 1 1 100 100 LEU HB2 H 1 1.286 0.02 . 2 . . . . 100 LEU HB2 . 16507 1 1156 . 1 1 100 100 LEU HB3 H 1 1.651 0.02 . 2 . . . . 100 LEU HB3 . 16507 1 1157 . 1 1 100 100 LEU HD11 H 1 0.840 0.02 . 2 . . . . 100 LEU QD1 . 16507 1 1158 . 1 1 100 100 LEU HD12 H 1 0.840 0.02 . 2 . . . . 100 LEU QD1 . 16507 1 1159 . 1 1 100 100 LEU HD13 H 1 0.840 0.02 . 2 . . . . 100 LEU QD1 . 16507 1 1160 . 1 1 100 100 LEU HD21 H 1 0.835 0.02 . 2 . . . . 100 LEU QD2 . 16507 1 1161 . 1 1 100 100 LEU HD22 H 1 0.835 0.02 . 2 . . . . 100 LEU QD2 . 16507 1 1162 . 1 1 100 100 LEU HD23 H 1 0.835 0.02 . 2 . . . . 100 LEU QD2 . 16507 1 1163 . 1 1 100 100 LEU HG H 1 1.697 0.02 . 1 . . . . 100 LEU HG . 16507 1 1164 . 1 1 100 100 LEU C C 13 175.304 0.1 . 1 . . . . 100 LEU C . 16507 1 1165 . 1 1 100 100 LEU CA C 13 53.516 0.1 . 1 . . . . 100 LEU CA . 16507 1 1166 . 1 1 100 100 LEU CB C 13 46.401 0.1 . 1 . . . . 100 LEU CB . 16507 1 1167 . 1 1 100 100 LEU CD1 C 13 26.660 0.1 . 1 . . . . 100 LEU CD1 . 16507 1 1168 . 1 1 100 100 LEU CD2 C 13 24.719 0.1 . 1 . . . . 100 LEU CD2 . 16507 1 1169 . 1 1 100 100 LEU CG C 13 28.187 0.1 . 1 . . . . 100 LEU CG . 16507 1 1170 . 1 1 100 100 LEU N N 15 128.601 0.1 . 1 . . . . 100 LEU N . 16507 1 1171 . 1 1 101 101 ILE H H 1 8.230 0.02 . 1 . . . . 101 ILE H . 16507 1 1172 . 1 1 101 101 ILE HA H 1 4.972 0.02 . 1 . . . . 101 ILE HA . 16507 1 1173 . 1 1 101 101 ILE HB H 1 1.441 0.02 . 1 . . . . 101 ILE HB . 16507 1 1174 . 1 1 101 101 ILE HD11 H 1 0.597 0.02 . 1 . . . . 101 ILE QD1 . 16507 1 1175 . 1 1 101 101 ILE HD12 H 1 0.597 0.02 . 1 . . . . 101 ILE QD1 . 16507 1 1176 . 1 1 101 101 ILE HD13 H 1 0.597 0.02 . 1 . . . . 101 ILE QD1 . 16507 1 1177 . 1 1 101 101 ILE HG12 H 1 1.433 0.02 . 2 . . . . 101 ILE HG12 . 16507 1 1178 . 1 1 101 101 ILE HG13 H 1 1.156 0.02 . 2 . . . . 101 ILE HG13 . 16507 1 1179 . 1 1 101 101 ILE HG21 H 1 0.655 0.02 . 1 . . . . 101 ILE QG2 . 16507 1 1180 . 1 1 101 101 ILE HG22 H 1 0.655 0.02 . 1 . . . . 101 ILE QG2 . 16507 1 1181 . 1 1 101 101 ILE HG23 H 1 0.655 0.02 . 1 . . . . 101 ILE QG2 . 16507 1 1182 . 1 1 101 101 ILE C C 13 176.479 0.1 . 1 . . . . 101 ILE C . 16507 1 1183 . 1 1 101 101 ILE CA C 13 61.217 0.1 . 1 . . . . 101 ILE CA . 16507 1 1184 . 1 1 101 101 ILE CB C 13 38.955 0.1 . 1 . . . . 101 ILE CB . 16507 1 1185 . 1 1 101 101 ILE CD1 C 13 12.986 0.1 . 1 . . . . 101 ILE CD1 . 16507 1 1186 . 1 1 101 101 ILE CG1 C 13 26.967 0.1 . 1 . . . . 101 ILE CG1 . 16507 1 1187 . 1 1 101 101 ILE CG2 C 13 16.605 0.1 . 1 . . . . 101 ILE CG2 . 16507 1 1188 . 1 1 101 101 ILE N N 15 121.283 0.1 . 1 . . . . 101 ILE N . 16507 1 1189 . 1 1 102 102 VAL H H 1 9.121 0.02 . 1 . . . . 102 VAL H . 16507 1 1190 . 1 1 102 102 VAL HA H 1 5.522 0.02 . 1 . . . . 102 VAL HA . 16507 1 1191 . 1 1 102 102 VAL HB H 1 1.927 0.02 . 1 . . . . 102 VAL HB . 16507 1 1192 . 1 1 102 102 VAL HG11 H 1 0.684 0.02 . 2 . . . . 102 VAL QG1 . 16507 1 1193 . 1 1 102 102 VAL HG12 H 1 0.684 0.02 . 2 . . . . 102 VAL QG1 . 16507 1 1194 . 1 1 102 102 VAL HG13 H 1 0.684 0.02 . 2 . . . . 102 VAL QG1 . 16507 1 1195 . 1 1 102 102 VAL HG21 H 1 0.772 0.02 . 2 . . . . 102 VAL QG2 . 16507 1 1196 . 1 1 102 102 VAL HG22 H 1 0.772 0.02 . 2 . . . . 102 VAL QG2 . 16507 1 1197 . 1 1 102 102 VAL HG23 H 1 0.772 0.02 . 2 . . . . 102 VAL QG2 . 16507 1 1198 . 1 1 102 102 VAL C C 13 173.949 0.1 . 1 . . . . 102 VAL C . 16507 1 1199 . 1 1 102 102 VAL CA C 13 58.063 0.1 . 1 . . . . 102 VAL CA . 16507 1 1200 . 1 1 102 102 VAL CB C 13 35.904 0.1 . 1 . . . . 102 VAL CB . 16507 1 1201 . 1 1 102 102 VAL CG1 C 13 19.294 0.1 . 1 . . . . 102 VAL CG1 . 16507 1 1202 . 1 1 102 102 VAL CG2 C 13 21.259 0.1 . 1 . . . . 102 VAL CG2 . 16507 1 1203 . 1 1 102 102 VAL N N 15 120.961 0.1 . 1 . . . . 102 VAL N . 16507 1 1204 . 1 1 103 103 ALA H H 1 8.915 0.02 . 1 . . . . 103 ALA H . 16507 1 1205 . 1 1 103 103 ALA HA H 1 5.378 0.02 . 1 . . . . 103 ALA HA . 16507 1 1206 . 1 1 103 103 ALA HB1 H 1 0.998 0.02 . 1 . . . . 103 ALA QB . 16507 1 1207 . 1 1 103 103 ALA HB2 H 1 0.998 0.02 . 1 . . . . 103 ALA QB . 16507 1 1208 . 1 1 103 103 ALA HB3 H 1 0.998 0.02 . 1 . . . . 103 ALA QB . 16507 1 1209 . 1 1 103 103 ALA C C 13 176.528 0.1 . 1 . . . . 103 ALA C . 16507 1 1210 . 1 1 103 103 ALA CA C 13 49.897 0.1 . 1 . . . . 103 ALA CA . 16507 1 1211 . 1 1 103 103 ALA CB C 13 22.186 0.1 . 1 . . . . 103 ALA CB . 16507 1 1212 . 1 1 103 103 ALA N N 15 121.533 0.1 . 1 . . . . 103 ALA N . 16507 1 1213 . 1 1 104 104 ARG H H 1 9.063 0.02 . 1 . . . . 104 ARG H . 16507 1 1214 . 1 1 104 104 ARG HA H 1 4.778 0.02 . 1 . . . . 104 ARG HA . 16507 1 1215 . 1 1 104 104 ARG HB2 H 1 1.706 0.02 . 2 . . . . 104 ARG HB2 . 16507 1 1216 . 1 1 104 104 ARG HB3 H 1 1.706 0.02 . 2 . . . . 104 ARG HB3 . 16507 1 1217 . 1 1 104 104 ARG HD2 H 1 3.213 0.02 . 2 . . . . 104 ARG HD2 . 16507 1 1218 . 1 1 104 104 ARG HD3 H 1 3.213 0.02 . 2 . . . . 104 ARG HD3 . 16507 1 1219 . 1 1 104 104 ARG HG2 H 1 1.675 0.02 . 2 . . . . 104 ARG HG2 . 16507 1 1220 . 1 1 104 104 ARG HG3 H 1 1.578 0.02 . 2 . . . . 104 ARG HG3 . 16507 1 1221 . 1 1 104 104 ARG C C 13 174.994 0.1 . 1 . . . . 104 ARG C . 16507 1 1222 . 1 1 104 104 ARG CA C 13 54.909 0.1 . 1 . . . . 104 ARG CA . 16507 1 1223 . 1 1 104 104 ARG CB C 13 35.073 0.1 . 1 . . . . 104 ARG CB . 16507 1 1224 . 1 1 104 104 ARG CD C 13 43.802 0.1 . 1 . . . . 104 ARG CD . 16507 1 1225 . 1 1 104 104 ARG CG C 13 26.013 0.1 . 1 . . . . 104 ARG CG . 16507 1 1226 . 1 1 104 104 ARG N N 15 125.598 0.1 . 1 . . . . 104 ARG N . 16507 1 1227 . 1 1 105 105 ARG H H 1 8.838 0.02 . 1 . . . . 105 ARG H . 16507 1 1228 . 1 1 105 105 ARG HA H 1 4.511 0.02 . 1 . . . . 105 ARG HA . 16507 1 1229 . 1 1 105 105 ARG HB2 H 1 1.853 0.02 . 2 . . . . 105 ARG HB2 . 16507 1 1230 . 1 1 105 105 ARG HB3 H 1 1.853 0.02 . 2 . . . . 105 ARG HB3 . 16507 1 1231 . 1 1 105 105 ARG HD2 H 1 3.209 0.02 . 2 . . . . 105 ARG HD2 . 16507 1 1232 . 1 1 105 105 ARG HD3 H 1 3.209 0.02 . 2 . . . . 105 ARG HD3 . 16507 1 1233 . 1 1 105 105 ARG HG2 H 1 1.632 0.02 . 2 . . . . 105 ARG HG2 . 16507 1 1234 . 1 1 105 105 ARG HG3 H 1 1.632 0.02 . 2 . . . . 105 ARG HG3 . 16507 1 1235 . 1 1 105 105 ARG C C 13 176.446 0.1 . 1 . . . . 105 ARG C . 16507 1 1236 . 1 1 105 105 ARG CA C 13 56.994 0.1 . 1 . . . . 105 ARG CA . 16507 1 1237 . 1 1 105 105 ARG CB C 13 30.812 0.1 . 1 . . . . 105 ARG CB . 16507 1 1238 . 1 1 105 105 ARG CD C 13 43.595 0.1 . 1 . . . . 105 ARG CD . 16507 1 1239 . 1 1 105 105 ARG CG C 13 27.774 0.1 . 1 . . . . 105 ARG CG . 16507 1 1240 . 1 1 105 105 ARG N N 15 126.659 0.1 . 1 . . . . 105 ARG N . 16507 1 1241 . 1 1 106 106 ILE H H 1 8.287 0.02 . 1 . . . . 106 ILE H . 16507 1 1242 . 1 1 106 106 ILE HA H 1 4.155 0.02 . 1 . . . . 106 ILE HA . 16507 1 1243 . 1 1 106 106 ILE HB H 1 1.747 0.02 . 1 . . . . 106 ILE HB . 16507 1 1244 . 1 1 106 106 ILE HD11 H 1 0.724 0.02 . 1 . . . . 106 ILE QD1 . 16507 1 1245 . 1 1 106 106 ILE HD12 H 1 0.724 0.02 . 1 . . . . 106 ILE QD1 . 16507 1 1246 . 1 1 106 106 ILE HD13 H 1 0.724 0.02 . 1 . . . . 106 ILE QD1 . 16507 1 1247 . 1 1 106 106 ILE HG12 H 1 1.366 0.02 . 2 . . . . 106 ILE HG12 . 16507 1 1248 . 1 1 106 106 ILE HG13 H 1 1.026 0.02 . 2 . . . . 106 ILE HG13 . 16507 1 1249 . 1 1 106 106 ILE HG21 H 1 0.850 0.02 . 1 . . . . 106 ILE QG2 . 16507 1 1250 . 1 1 106 106 ILE HG22 H 1 0.850 0.02 . 1 . . . . 106 ILE QG2 . 16507 1 1251 . 1 1 106 106 ILE HG23 H 1 0.850 0.02 . 1 . . . . 106 ILE QG2 . 16507 1 1252 . 1 1 106 106 ILE C C 13 176.136 0.1 . 1 . . . . 106 ILE C . 16507 1 1253 . 1 1 106 106 ILE CA C 13 61.472 0.1 . 1 . . . . 106 ILE CA . 16507 1 1254 . 1 1 106 106 ILE CB C 13 39.230 0.1 . 1 . . . . 106 ILE CB . 16507 1 1255 . 1 1 106 106 ILE CD1 C 13 13.089 0.1 . 1 . . . . 106 ILE CD1 . 16507 1 1256 . 1 1 106 106 ILE CG1 C 13 27.631 0.1 . 1 . . . . 106 ILE CG1 . 16507 1 1257 . 1 1 106 106 ILE CG2 C 13 17.640 0.1 . 1 . . . . 106 ILE CG2 . 16507 1 1258 . 1 1 106 106 ILE N N 15 124.571 0.1 . 1 . . . . 106 ILE N . 16507 1 1259 . 1 1 107 107 SER H H 1 8.468 0.02 . 1 . . . . 107 SER H . 16507 1 1260 . 1 1 107 107 SER HA H 1 4.521 0.02 . 1 . . . . 107 SER HA . 16507 1 1261 . 1 1 107 107 SER HB2 H 1 3.827 0.02 . 2 . . . . 107 SER HB2 . 16507 1 1262 . 1 1 107 107 SER HB3 H 1 3.827 0.02 . 2 . . . . 107 SER HB3 . 16507 1 1263 . 1 1 107 107 SER C C 13 174.374 0.1 . 1 . . . . 107 SER C . 16507 1 1264 . 1 1 107 107 SER CA C 13 58.242 0.1 . 1 . . . . 107 SER CA . 16507 1 1265 . 1 1 107 107 SER CB C 13 64.193 0.1 . 1 . . . . 107 SER CB . 16507 1 1266 . 1 1 107 107 SER N N 15 120.836 0.1 . 1 . . . . 107 SER N . 16507 1 1267 . 1 1 108 108 ARG H H 1 8.465 0.02 . 1 . . . . 108 ARG H . 16507 1 1268 . 1 1 108 108 ARG HA H 1 4.409 0.02 . 1 . . . . 108 ARG HA . 16507 1 1269 . 1 1 108 108 ARG HB2 H 1 1.739 0.02 . 2 . . . . 108 ARG HB2 . 16507 1 1270 . 1 1 108 108 ARG HB3 H 1 1.869 0.02 . 2 . . . . 108 ARG HB3 . 16507 1 1271 . 1 1 108 108 ARG HD2 H 1 3.189 0.02 . 2 . . . . 108 ARG HD2 . 16507 1 1272 . 1 1 108 108 ARG HD3 H 1 3.189 0.02 . 2 . . . . 108 ARG HD3 . 16507 1 1273 . 1 1 108 108 ARG HG2 H 1 1.612 0.02 . 2 . . . . 108 ARG HG2 . 16507 1 1274 . 1 1 108 108 ARG HG3 H 1 1.828 0.02 . 2 . . . . 108 ARG HG3 . 16507 1 1275 . 1 1 108 108 ARG C C 13 176.201 0.1 . 1 . . . . 108 ARG C . 16507 1 1276 . 1 1 108 108 ARG CA C 13 56.257 0.1 . 1 . . . . 108 ARG CA . 16507 1 1277 . 1 1 108 108 ARG CB C 13 31.228 0.1 . 1 . . . . 108 ARG CB . 16507 1 1278 . 1 1 108 108 ARG CD C 13 43.699 0.1 . 1 . . . . 108 ARG CD . 16507 1 1279 . 1 1 108 108 ARG CG C 13 27.463 0.1 . 1 . . . . 108 ARG CG . 16507 1 1280 . 1 1 108 108 ARG N N 15 123.656 0.1 . 1 . . . . 108 ARG N . 16507 1 1281 . 1 1 109 109 CYS H H 1 8.421 0.02 . 1 . . . . 109 CYS H . 16507 1 1282 . 1 1 109 109 CYS HA H 1 4.489 0.02 . 1 . . . . 109 CYS HA . 16507 1 1283 . 1 1 109 109 CYS HB2 H 1 2.917 0.02 . 2 . . . . 109 CYS HB2 . 16507 1 1284 . 1 1 109 109 CYS HB3 H 1 2.917 0.02 . 2 . . . . 109 CYS HB3 . 16507 1 1285 . 1 1 109 109 CYS C C 13 174.325 0.1 . 1 . . . . 109 CYS C . 16507 1 1286 . 1 1 109 109 CYS CA C 13 58.878 0.1 . 1 . . . . 109 CYS CA . 16507 1 1287 . 1 1 109 109 CYS CB C 13 28.318 0.1 . 1 . . . . 109 CYS CB . 16507 1 1288 . 1 1 109 109 CYS N N 15 120.118 0.1 . 1 . . . . 109 CYS N . 16507 1 1289 . 1 1 110 110 ASN H H 1 8.531 0.02 . 1 . . . . 110 ASN H . 16507 1 1290 . 1 1 110 110 ASN HA H 1 4.717 0.02 . 1 . . . . 110 ASN HA . 16507 1 1291 . 1 1 110 110 ASN HB2 H 1 2.744 0.02 . 2 . . . . 110 ASN HB2 . 16507 1 1292 . 1 1 110 110 ASN HB3 H 1 2.859 0.02 . 2 . . . . 110 ASN HB3 . 16507 1 1293 . 1 1 110 110 ASN C C 13 174.080 0.1 . 1 . . . . 110 ASN C . 16507 1 1294 . 1 1 110 110 ASN CA C 13 53.790 0.1 . 1 . . . . 110 ASN CA . 16507 1 1295 . 1 1 110 110 ASN CB C 13 39.334 0.1 . 1 . . . . 110 ASN CB . 16507 1 1296 . 1 1 110 110 ASN N N 15 121.247 0.1 . 1 . . . . 110 ASN N . 16507 1 1297 . 1 1 111 111 GLU H H 1 7.854 0.02 . 1 . . . . 111 GLU H . 16507 1 1298 . 1 1 111 111 GLU N N 15 125.898 0.1 . 1 . . . . 111 GLU N . 16507 1 1299 . 2 2 2 2 LEU HA H 1 4.414 0.02 . 1 . . . . 145 LEU HA . 16507 1 1300 . 2 2 2 2 LEU HB2 H 1 1.684 0.02 . 2 . . . . 145 LEU HB2 . 16507 1 1301 . 2 2 2 2 LEU HB3 H 1 1.684 0.02 . 2 . . . . 145 LEU HB3 . 16507 1 1302 . 2 2 2 2 LEU HD11 H 1 0.979 0.02 . 2 . . . . 145 LEU QD1 . 16507 1 1303 . 2 2 2 2 LEU HD12 H 1 0.979 0.02 . 2 . . . . 145 LEU QD1 . 16507 1 1304 . 2 2 2 2 LEU HD13 H 1 0.979 0.02 . 2 . . . . 145 LEU QD1 . 16507 1 1305 . 2 2 2 2 LEU C C 13 176.723 0.1 . 1 . . . . 145 LEU C . 16507 1 1306 . 2 2 2 2 LEU CA C 13 55.786 0.1 . 1 . . . . 145 LEU CA . 16507 1 1307 . 2 2 2 2 LEU CB C 13 42.838 0.1 . 1 . . . . 145 LEU CB . 16507 1 1308 . 2 2 2 2 LEU CD1 C 13 25.035 0.1 . 1 . . . . 145 LEU CD1 . 16507 1 1309 . 2 2 3 3 ALA H H 1 8.431 0.02 . 1 . . . . 146 ALA H . 16507 1 1310 . 2 2 3 3 ALA HA H 1 4.312 0.02 . 1 . . . . 146 ALA HA . 16507 1 1311 . 2 2 3 3 ALA HB1 H 1 1.413 0.02 . 1 . . . . 146 ALA QB . 16507 1 1312 . 2 2 3 3 ALA HB2 H 1 1.413 0.02 . 1 . . . . 146 ALA QB . 16507 1 1313 . 2 2 3 3 ALA HB3 H 1 1.413 0.02 . 1 . . . . 146 ALA QB . 16507 1 1314 . 2 2 3 3 ALA C C 13 177.753 0.1 . 1 . . . . 146 ALA C . 16507 1 1315 . 2 2 3 3 ALA CA C 13 52.873 0.1 . 1 . . . . 146 ALA CA . 16507 1 1316 . 2 2 3 3 ALA CB C 13 19.53 0.1 . 1 . . . . 146 ALA CB . 16507 1 1317 . 2 2 3 3 ALA N N 15 125.673 0.1 . 1 . . . . 146 ALA N . 16507 1 1318 . 2 2 4 4 GLU H H 1 8.390 0.02 . 1 . . . . 147 GLU H . 16507 1 1319 . 2 2 4 4 GLU HA H 1 4.260 0.02 . 1 . . . . 147 GLU HA . 16507 1 1320 . 2 2 4 4 GLU HB2 H 1 1.990 0.02 . 2 . . . . 147 GLU HB2 . 16507 1 1321 . 2 2 4 4 GLU HB3 H 1 1.930 0.02 . 2 . . . . 147 GLU HB3 . 16507 1 1322 . 2 2 4 4 GLU HG2 H 1 2.251 0.02 . 2 . . . . 147 GLU HG2 . 16507 1 1323 . 2 2 4 4 GLU HG3 H 1 2.251 0.02 . 2 . . . . 147 GLU HG3 . 16507 1 1324 . 2 2 4 4 GLU C C 13 176.450 0.1 . 1 . . . . 147 GLU C . 16507 1 1325 . 2 2 4 4 GLU CA C 13 57.081 0.1 . 1 . . . . 147 GLU CA . 16507 1 1326 . 2 2 4 4 GLU CB C 13 30.537 0.1 . 1 . . . . 147 GLU CB . 16507 1 1327 . 2 2 4 4 GLU CG C 13 36.688 0.1 . 1 . . . . 147 GLU CG . 16507 1 1328 . 2 2 4 4 GLU N N 15 119.796 0.1 . 1 . . . . 147 GLU N . 16507 1 1329 . 2 2 5 5 LEU H H 1 8.128 0.02 . 1 . . . . 148 LEU H . 16507 1 1330 . 2 2 5 5 LEU HA H 1 4.304 0.02 . 1 . . . . 148 LEU HA . 16507 1 1331 . 2 2 5 5 LEU HB2 H 1 1.536 0.02 . 2 . . . . 148 LEU HB2 . 16507 1 1332 . 2 2 5 5 LEU HB3 H 1 1.431 0.02 . 2 . . . . 148 LEU HB3 . 16507 1 1333 . 2 2 5 5 LEU HD11 H 1 0.837 0.02 . 2 . . . . 148 LEU QD1 . 16507 1 1334 . 2 2 5 5 LEU HD12 H 1 0.837 0.02 . 2 . . . . 148 LEU QD1 . 16507 1 1335 . 2 2 5 5 LEU HD13 H 1 0.837 0.02 . 2 . . . . 148 LEU QD1 . 16507 1 1336 . 2 2 5 5 LEU HD21 H 1 0.909 0.02 . 2 . . . . 148 LEU QD2 . 16507 1 1337 . 2 2 5 5 LEU HD22 H 1 0.909 0.02 . 2 . . . . 148 LEU QD2 . 16507 1 1338 . 2 2 5 5 LEU HD23 H 1 0.909 0.02 . 2 . . . . 148 LEU QD2 . 16507 1 1339 . 2 2 5 5 LEU C C 13 177.207 0.1 . 1 . . . . 148 LEU C . 16507 1 1340 . 2 2 5 5 LEU CA C 13 55.463 0.1 . 1 . . . . 148 LEU CA . 16507 1 1341 . 2 2 5 5 LEU CB C 13 42.838 0.1 . 1 . . . . 148 LEU CB . 16507 1 1342 . 2 2 5 5 LEU CD1 C 13 23.740 0.1 . 1 . . . . 148 LEU CD1 . 16507 1 1343 . 2 2 5 5 LEU CD2 C 13 25.035 0.1 . 1 . . . . 148 LEU CD2 . 16507 1 1344 . 2 2 5 5 LEU N N 15 122.667 0.1 . 1 . . . . 148 LEU N . 16507 1 1345 . 2 2 6 6 TYR H H 1 8.137 0.02 . 1 . . . . 149 TYR H . 16507 1 1346 . 2 2 6 6 TYR HA H 1 4.637 0.02 . 1 . . . . 149 TYR HA . 16507 1 1347 . 2 2 6 6 TYR HB2 H 1 3.145 0.02 . 2 . . . . 149 TYR HB2 . 16507 1 1348 . 2 2 6 6 TYR HB3 H 1 2.979 0.02 . 2 . . . . 149 TYR HB3 . 16507 1 1349 . 2 2 6 6 TYR HD1 H 1 7.131 0.02 . 1 . . . . 149 TYR HD1 . 16507 1 1350 . 2 2 6 6 TYR HD2 H 1 7.131 0.02 . 1 . . . . 149 TYR HD2 . 16507 1 1351 . 2 2 6 6 TYR HE1 H 1 6.817 0.02 . 1 . . . . 149 TYR HE1 . 16507 1 1352 . 2 2 6 6 TYR HE2 H 1 6.817 0.02 . 1 . . . . 149 TYR HE2 . 16507 1 1353 . 2 2 6 6 TYR C C 13 176.513 0.1 . 1 . . . . 149 TYR C . 16507 1 1354 . 2 2 6 6 TYR CA C 13 58.052 0.1 . 1 . . . . 149 TYR CA . 16507 1 1355 . 2 2 6 6 TYR CB C 13 38.954 0.1 . 1 . . . . 149 TYR CB . 16507 1 1356 . 2 2 6 6 TYR CD1 C 13 133.603 0.1 . 1 . . . . 149 TYR CD1 . 16507 1 1357 . 2 2 6 6 TYR CE1 C 13 118.584 0.1 . 1 . . . . 149 TYR CE1 . 16507 1 1358 . 2 2 6 6 TYR N N 15 120.346 0.1 . 1 . . . . 149 TYR N . 16507 1 1359 . 2 2 7 7 GLY H H 1 8.316 0.02 . 1 . . . . 150 GLY H . 16507 1 1360 . 2 2 7 7 GLY HA2 H 1 3.984 0.02 . 2 . . . . 150 GLY HA2 . 16507 1 1361 . 2 2 7 7 GLY HA3 H 1 3.984 0.02 . 2 . . . . 150 GLY HA3 . 16507 1 1362 . 2 2 7 7 GLY C C 13 174.097 0.1 . 1 . . . . 150 GLY C . 16507 1 1363 . 2 2 7 7 GLY CA C 13 45.428 0.1 . 1 . . . . 150 GLY CA . 16507 1 1364 . 2 2 7 7 GLY N N 15 110.460 0.1 . 1 . . . . 150 GLY N . 16507 1 1365 . 2 2 8 8 SER H H 1 8.131 0.02 . 1 . . . . 151 SER H . 16507 1 1366 . 2 2 8 8 SER HA H 1 4.513 0.02 . 1 . . . . 151 SER HA . 16507 1 1367 . 2 2 8 8 SER HB2 H 1 3.882 0.02 . 2 . . . . 151 SER HB2 . 16507 1 1368 . 2 2 8 8 SER HB3 H 1 3.882 0.02 . 2 . . . . 151 SER HB3 . 16507 1 1369 . 2 2 8 8 SER C C 13 174.013 0.1 . 1 . . . . 151 SER C . 16507 1 1370 . 2 2 8 8 SER CA C 13 58.052 0.1 . 1 . . . . 151 SER CA . 16507 1 1371 . 2 2 8 8 SER CB C 13 64.526 0.1 . 1 . . . . 151 SER CB . 16507 1 1372 . 2 2 8 8 SER N N 15 115.363 0.1 . 1 . . . . 151 SER N . 16507 1 1373 . 2 2 9 9 ASP H H 1 8.474 0.02 . 1 . . . . 152 ASP H . 16507 1 1374 . 2 2 9 9 ASP HA H 1 4.950 0.02 . 1 . . . . 152 ASP HA . 16507 1 1375 . 2 2 9 9 ASP HB2 H 1 2.808 0.02 . 2 . . . . 152 ASP HB2 . 16507 1 1376 . 2 2 9 9 ASP HB3 H 1 2.596 0.02 . 2 . . . . 152 ASP HB3 . 16507 1 1377 . 2 2 9 9 ASP CA C 13 52.549 0.1 . 1 . . . . 152 ASP CA . 16507 1 1378 . 2 2 9 9 ASP CB C 13 41.543 0.1 . 1 . . . . 152 ASP CB . 16507 1 1379 . 2 2 9 9 ASP N N 15 123.461 0.1 . 1 . . . . 152 ASP N . 16507 1 1380 . 2 2 10 10 PRO HA H 1 4.487 0.02 . 1 . . . . 153 PRO HA . 16507 1 1381 . 2 2 10 10 PRO HB2 H 1 2.346 0.02 . 2 . . . . 153 PRO HB2 . 16507 1 1382 . 2 2 10 10 PRO HB3 H 1 1.997 0.02 . 2 . . . . 153 PRO HB3 . 16507 1 1383 . 2 2 10 10 PRO HD2 H 1 3.912 0.02 . 2 . . . . 153 PRO HD2 . 16507 1 1384 . 2 2 10 10 PRO HD3 H 1 3.845 0.02 . 2 . . . . 153 PRO HD3 . 16507 1 1385 . 2 2 10 10 PRO HG2 H 1 2.071 0.02 . 2 . . . . 153 PRO HG2 . 16507 1 1386 . 2 2 10 10 PRO HG3 H 1 2.071 0.02 . 2 . . . . 153 PRO HG3 . 16507 1 1387 . 2 2 10 10 PRO C C 13 177.312 0.1 . 1 . . . . 153 PRO C . 16507 1 1388 . 2 2 10 10 PRO CA C 13 63.879 0.1 . 1 . . . . 153 PRO CA . 16507 1 1389 . 2 2 10 10 PRO CB C 13 32.480 0.1 . 1 . . . . 153 PRO CB . 16507 1 1390 . 2 2 10 10 PRO CD C 13 51.254 0.1 . 1 . . . . 153 PRO CD . 16507 1 1391 . 2 2 10 10 PRO CG C 13 27.624 0.1 . 1 . . . . 153 PRO CG . 16507 1 1392 . 2 2 11 11 GLN H H 1 8.556 0.02 . 1 . . . . 154 GLN H . 16507 1 1393 . 2 2 11 11 GLN HA H 1 4.414 0.02 . 1 . . . . 154 GLN HA . 16507 1 1394 . 2 2 11 11 GLN HB2 H 1 2.228 0.02 . 2 . . . . 154 GLN HB2 . 16507 1 1395 . 2 2 11 11 GLN HB3 H 1 2.059 0.02 . 2 . . . . 154 GLN HB3 . 16507 1 1396 . 2 2 11 11 GLN HG2 H 1 2.411 0.02 . 2 . . . . 154 GLN HG2 . 16507 1 1397 . 2 2 11 11 GLN HG3 H 1 2.411 0.02 . 2 . . . . 154 GLN HG3 . 16507 1 1398 . 2 2 11 11 GLN C C 13 175.967 0.1 . 1 . . . . 154 GLN C . 16507 1 1399 . 2 2 11 11 GLN CA C 13 55.786 0.1 . 1 . . . . 154 GLN CA . 16507 1 1400 . 2 2 11 11 GLN CB C 13 29.566 0.1 . 1 . . . . 154 GLN CB . 16507 1 1401 . 2 2 11 11 GLN CG C 13 34.422 0.1 . 1 . . . . 154 GLN CG . 16507 1 1402 . 2 2 11 11 GLN N N 15 119.517 0.1 . 1 . . . . 154 GLN N . 16507 1 1403 . 2 2 12 12 GLU H H 1 8.226 0.02 . 1 . . . . 155 GLU H . 16507 1 1404 . 2 2 12 12 GLU HA H 1 4.486 0.02 . 1 . . . . 155 GLU HA . 16507 1 1405 . 2 2 12 12 GLU HB2 H 1 2.119 0.02 . 2 . . . . 155 GLU HB2 . 16507 1 1406 . 2 2 12 12 GLU HB3 H 1 2.072 0.02 . 2 . . . . 155 GLU HB3 . 16507 1 1407 . 2 2 12 12 GLU HG2 H 1 2.344 0.02 . 2 . . . . 155 GLU HG2 . 16507 1 1408 . 2 2 12 12 GLU HG3 H 1 2.293 0.02 . 2 . . . . 155 GLU HG3 . 16507 1 1409 . 2 2 12 12 GLU C C 13 175.547 0.1 . 1 . . . . 155 GLU C . 16507 1 1410 . 2 2 12 12 GLU CA C 13 57.081 0.1 . 1 . . . . 155 GLU CA . 16507 1 1411 . 2 2 12 12 GLU CB C 13 30.861 0.1 . 1 . . . . 155 GLU CB . 16507 1 1412 . 2 2 12 12 GLU CG C 13 36.688 0.1 . 1 . . . . 155 GLU CG . 16507 1 1413 . 2 2 12 12 GLU N N 15 121.349 0.1 . 1 . . . . 155 GLU N . 16507 1 1414 . 2 2 13 13 GLU H H 1 8.179 0.02 . 1 . . . . 156 GLU H . 16507 1 1415 . 2 2 13 13 GLU HA H 1 5.052 0.02 . 1 . . . . 156 GLU HA . 16507 1 1416 . 2 2 13 13 GLU HB2 H 1 1.940 0.02 . 2 . . . . 156 GLU HB2 . 16507 1 1417 . 2 2 13 13 GLU HB3 H 1 2.011 0.02 . 2 . . . . 156 GLU HB3 . 16507 1 1418 . 2 2 13 13 GLU HG2 H 1 2.182 0.02 . 2 . . . . 156 GLU HG2 . 16507 1 1419 . 2 2 13 13 GLU HG3 H 1 2.182 0.02 . 2 . . . . 156 GLU HG3 . 16507 1 1420 . 2 2 13 13 GLU C C 13 174.896 0.1 . 1 . . . . 156 GLU C . 16507 1 1421 . 2 2 13 13 GLU CA C 13 55.463 0.1 . 1 . . . . 156 GLU CA . 16507 1 1422 . 2 2 13 13 GLU CB C 13 32.480 0.1 . 1 . . . . 156 GLU CB . 16507 1 1423 . 2 2 13 13 GLU CG C 13 36.688 0.1 . 1 . . . . 156 GLU CG . 16507 1 1424 . 2 2 13 13 GLU N N 15 120.904 0.1 . 1 . . . . 156 GLU N . 16507 1 1425 . 2 2 14 14 LEU H H 1 8.644 0.02 . 1 . . . . 157 LEU H . 16507 1 1426 . 2 2 14 14 LEU HA H 1 4.721 0.02 . 1 . . . . 157 LEU HA . 16507 1 1427 . 2 2 14 14 LEU HB2 H 1 1.647 0.02 . 2 . . . . 157 LEU HB2 . 16507 1 1428 . 2 2 14 14 LEU HB3 H 1 1.513 0.02 . 2 . . . . 157 LEU HB3 . 16507 1 1429 . 2 2 14 14 LEU HD11 H 1 0.816 0.02 . 2 . . . . 157 LEU QD1 . 16507 1 1430 . 2 2 14 14 LEU HD12 H 1 0.816 0.02 . 2 . . . . 157 LEU QD1 . 16507 1 1431 . 2 2 14 14 LEU HD13 H 1 0.816 0.02 . 2 . . . . 157 LEU QD1 . 16507 1 1432 . 2 2 14 14 LEU HD21 H 1 0.984 0.02 . 2 . . . . 157 LEU QD2 . 16507 1 1433 . 2 2 14 14 LEU HD22 H 1 0.984 0.02 . 2 . . . . 157 LEU QD2 . 16507 1 1434 . 2 2 14 14 LEU HD23 H 1 0.984 0.02 . 2 . . . . 157 LEU QD2 . 16507 1 1435 . 2 2 14 14 LEU HG H 1 1.509 0.02 . 1 . . . . 157 LEU HG . 16507 1 1436 . 2 2 14 14 LEU C C 13 174.685 0.1 . 1 . . . . 157 LEU C . 16507 1 1437 . 2 2 14 14 LEU CA C 13 54.491 0.1 . 1 . . . . 157 LEU CA . 16507 1 1438 . 2 2 14 14 LEU CB C 13 46.399 0.1 . 1 . . . . 157 LEU CB . 16507 1 1439 . 2 2 14 14 LEU CD1 C 13 26.329 0.1 . 1 . . . . 157 LEU CD1 . 16507 1 1440 . 2 2 14 14 LEU CD2 C 13 24.063 0.1 . 1 . . . . 157 LEU CD2 . 16507 1 1441 . 2 2 14 14 LEU CG C 13 27.300 0.1 . 1 . . . . 157 LEU CG . 16507 1 1442 . 2 2 14 14 LEU N N 15 124.961 0.1 . 1 . . . . 157 LEU N . 16507 1 1443 . 2 2 15 15 ILE H H 1 8.304 0.02 . 1 . . . . 158 ILE H . 16507 1 1444 . 2 2 15 15 ILE HA H 1 4.930 0.02 . 1 . . . . 158 ILE HA . 16507 1 1445 . 2 2 15 15 ILE HB H 1 1.797 0.02 . 1 . . . . 158 ILE HB . 16507 1 1446 . 2 2 15 15 ILE HD11 H 1 0.879 0.02 . 1 . . . . 158 ILE QD1 . 16507 1 1447 . 2 2 15 15 ILE HD12 H 1 0.879 0.02 . 1 . . . . 158 ILE QD1 . 16507 1 1448 . 2 2 15 15 ILE HD13 H 1 0.879 0.02 . 1 . . . . 158 ILE QD1 . 16507 1 1449 . 2 2 15 15 ILE HG12 H 1 1.621 0.02 . 2 . . . . 158 ILE HG12 . 16507 1 1450 . 2 2 15 15 ILE HG13 H 1 1.059 0.02 . 2 . . . . 158 ILE HG13 . 16507 1 1451 . 2 2 15 15 ILE HG21 H 1 0.886 0.02 . 1 . . . . 158 ILE QG2 . 16507 1 1452 . 2 2 15 15 ILE HG22 H 1 0.886 0.02 . 1 . . . . 158 ILE QG2 . 16507 1 1453 . 2 2 15 15 ILE HG23 H 1 0.886 0.02 . 1 . . . . 158 ILE QG2 . 16507 1 1454 . 2 2 15 15 ILE C C 13 175.946 0.1 . 1 . . . . 158 ILE C . 16507 1 1455 . 2 2 15 15 ILE CA C 13 60.965 0.1 . 1 . . . . 158 ILE CA . 16507 1 1456 . 2 2 15 15 ILE CB C 13 38.630 0.1 . 1 . . . . 158 ILE CB . 16507 1 1457 . 2 2 15 15 ILE CD1 C 13 13.057 0.1 . 1 . . . . 158 ILE CD1 . 16507 1 1458 . 2 2 15 15 ILE CG1 C 13 28.595 0.1 . 1 . . . . 158 ILE CG1 . 16507 1 1459 . 2 2 15 15 ILE CG2 C 13 17.913 0.1 . 1 . . . . 158 ILE CG2 . 16507 1 1460 . 2 2 15 15 ILE N N 15 126.114 0.1 . 1 . . . . 158 ILE N . 16507 1 1461 . 2 2 16 16 ILE H H 1 8.899 0.02 . 1 . . . . 159 ILE H . 16507 1 1462 . 2 2 16 16 ILE HA H 1 4.543 0.02 . 1 . . . . 159 ILE HA . 16507 1 1463 . 2 2 16 16 ILE HB H 1 2.174 0.02 . 1 . . . . 159 ILE HB . 16507 1 1464 . 2 2 16 16 ILE HD11 H 1 0.757 0.02 . 1 . . . . 159 ILE QD1 . 16507 1 1465 . 2 2 16 16 ILE HD12 H 1 0.757 0.02 . 1 . . . . 159 ILE QD1 . 16507 1 1466 . 2 2 16 16 ILE HD13 H 1 0.757 0.02 . 1 . . . . 159 ILE QD1 . 16507 1 1467 . 2 2 16 16 ILE HG12 H 1 1.449 0.02 . 2 . . . . 159 ILE HG12 . 16507 1 1468 . 2 2 16 16 ILE HG13 H 1 1.160 0.02 . 2 . . . . 159 ILE HG13 . 16507 1 1469 . 2 2 16 16 ILE HG21 H 1 0.829 0.02 . 1 . . . . 159 ILE QG2 . 16507 1 1470 . 2 2 16 16 ILE HG22 H 1 0.829 0.02 . 1 . . . . 159 ILE QG2 . 16507 1 1471 . 2 2 16 16 ILE HG23 H 1 0.829 0.02 . 1 . . . . 159 ILE QG2 . 16507 1 1472 . 2 2 16 16 ILE CA C 13 61.613 0.1 . 1 . . . . 159 ILE CA . 16507 1 1473 . 2 2 16 16 ILE CB C 13 41.220 0.1 . 1 . . . . 159 ILE CB . 16507 1 1474 . 2 2 16 16 ILE CD1 C 13 14.676 0.1 . 1 . . . . 159 ILE CD1 . 16507 1 1475 . 2 2 16 16 ILE CG1 C 13 26.977 0.1 . 1 . . . . 159 ILE CG1 . 16507 1 1476 . 2 2 16 16 ILE CG2 C 13 18.237 0.1 . 1 . . . . 159 ILE CG2 . 16507 1 1477 . 2 2 16 16 ILE N N 15 128.276 0.1 . 1 . . . . 159 ILE N . 16507 1 stop_ save_