data_17277 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17277 _Entry.Title ; Solution Structure of a Putative Thioredoxin from Neisseria meningitidis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-03 _Entry.Accession_date 2010-11-03 _Entry.Last_release_date 2010-11-15 _Entry.Original_release_date 2010-11-15 _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 R. Harris R. . . 17277 2 R. Foti R. . . 17277 3 R. Seidel R. D. . 17277 4 J. Bonanno J. B. . 17277 5 J. Freeman J. . . 17277 6 K. Bain K. T. . 17277 7 J. Sauder J. M. . 17277 8 S. Burley S. K. . 17277 9 M. Girvin M. E. . 17277 10 S. Almo S. C. . 17277 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'New York SGX Research Center for Structural Genomics' . 17277 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'New York SGX Research Center for Structural Genomics' . 17277 'Protein Structure Initiative' . 17277 PSI-2 . 17277 'STRUCTURAL GENOMICS' . 17277 'UNKNOWN FUNCTION' . 17277 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17277 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 650 17277 '15N chemical shifts' 149 17277 '1H chemical shifts' 1021 17277 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-11-15 2010-11-03 original author . 17277 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L5O 'BMRB Entry Tracking System' 17277 TargetDB NYSGXRC-11210e . 17277 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17277 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of a Putative Thioredoxin from Neisseria meningitidis' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 R. Harris R. . . 17277 1 2 R. Foti R. . . 17277 1 3 R. Seidel R. D. . 17277 1 4 J. Bonanno J. B. . 17277 1 5 J. Freeman J. . . 17277 1 6 K. Bain K. T. . 17277 1 7 J. Sauder J. M. . 17277 1 8 S. Burley S. K. . 17277 1 9 M. Girvin M. E. . 17277 1 10 S. Almo S. C. . 17277 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'STRUCTURAL GENOMICS' 17277 1 'UNKNOWN FUNCTION' 17277 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17277 _Assembly.ID 1 _Assembly.Name 'putative thioredoxin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'putative thioredoxin' 1 $putative_thioredoxin A . yes native no no . . . 17277 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_putative_thioredoxin _Entity.Sf_category entity _Entity.Sf_framecode putative_thioredoxin _Entity.Entry_ID 17277 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name putative_thioredoxin _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 ; MSLDSKTAPAFSLPDLHGKT VSNADLQGKVTLINFWFPSC PGCVSEMPKIIKTANDYKNK NFQVLAVAQPIDPIESVRQY VKDYGLPFTVMYDADKAVGQ AFGTQVYPTSVLIGKKGEIL KTYVGEPDFGKLYQEIDTAW RNSDAEGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues D3 to A142 are equivalent to 24-163 of Uniprot entry Q9JXN4' _Entity.Polymer_author_seq_details 'MSL are extra residues at the N-terminal from cloning and have not been included in the assignments' _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 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17046.438 _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 2L5O . "Solution Structure Of A Putative Thioredoxin From Neisseria Meningitidis" . . . . . 100.00 153 100.00 100.00 1.16e-109 . . . . 17277 1 2 no EMBL CAM07772 . "putative periplasmic protein [Neisseria meningitidis Z2491]" . . . . . 88.89 162 99.26 99.26 9.27e-94 . . . . 17277 1 3 no EMBL CAM11090 . "putative periplasmic protein [Neisseria meningitidis FAM18]" . . . . . 88.89 162 100.00 100.00 8.59e-95 . . . . 17277 1 4 no EMBL CAX50914 . "putative ResA-like thiol-disulfide oxidoreductase [Neisseria meningitidis 8013]" . . . . . 88.89 162 100.00 100.00 8.59e-95 . . . . 17277 1 5 no EMBL CBA03707 . "putative thioredoxin [Neisseria meningitidis alpha14]" . . . . . 88.89 220 100.00 100.00 1.47e-93 . . . . 17277 1 6 no EMBL CBA07256 . "putative thioredoxin, partial [Neisseria meningitidis alpha153]" . . . . . 75.16 138 99.13 99.13 7.09e-77 . . . . 17277 1 7 no GB AAF42287 . "putative thioredoxin [Neisseria meningitidis MC58]" . . . . . 92.81 166 100.00 100.00 3.53e-100 . . . . 17277 1 8 no GB AAW90722 . "thioredoxin [Neisseria gonorrhoeae FA 1090]" . . . . . 88.89 162 97.06 99.26 3.26e-92 . . . . 17277 1 9 no GB ABX72465 . "periplasmic protein [Neisseria meningitidis 053442]" . . . . . 88.89 162 100.00 100.00 8.59e-95 . . . . 17277 1 10 no GB ACF31196 . "putative thioredoxin [Neisseria gonorrhoeae NCCP11945]" . . . . . 88.89 162 97.79 100.00 4.28e-93 . . . . 17277 1 11 no GB ADO32377 . "putative thioredoxin [Neisseria meningitidis alpha710]" . . . . . 88.89 220 99.26 100.00 2.57e-93 . . . . 17277 1 12 no REF NP_274952 . "thioredoxin [Neisseria meningitidis MC58]" . . . . . 92.81 166 100.00 100.00 3.53e-100 . . . . 17277 1 13 no REF WP_002214835 . "thioredoxin [Neisseria meningitidis]" . . . . . 88.89 162 100.00 100.00 8.59e-95 . . . . 17277 1 14 no REF WP_002218071 . "thioredoxin [Neisseria meningitidis]" . . . . . 88.89 162 99.26 99.26 9.27e-94 . . . . 17277 1 15 no REF WP_002235231 . "thioredoxin [Neisseria meningitidis]" . . . . . 88.89 162 98.53 98.53 1.33e-92 . . . . 17277 1 16 no REF WP_002239346 . "thioredoxin [Neisseria meningitidis]" . . . . . 88.89 162 98.53 98.53 5.80e-93 . . . . 17277 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17277 1 2 . SER . 17277 1 3 . LEU . 17277 1 4 . ASP . 17277 1 5 . SER . 17277 1 6 . LYS . 17277 1 7 . THR . 17277 1 8 . ALA . 17277 1 9 . PRO . 17277 1 10 . ALA . 17277 1 11 . PHE . 17277 1 12 . SER . 17277 1 13 . LEU . 17277 1 14 . PRO . 17277 1 15 . ASP . 17277 1 16 . LEU . 17277 1 17 . HIS . 17277 1 18 . GLY . 17277 1 19 . LYS . 17277 1 20 . THR . 17277 1 21 . VAL . 17277 1 22 . SER . 17277 1 23 . ASN . 17277 1 24 . ALA . 17277 1 25 . ASP . 17277 1 26 . LEU . 17277 1 27 . GLN . 17277 1 28 . GLY . 17277 1 29 . LYS . 17277 1 30 . VAL . 17277 1 31 . THR . 17277 1 32 . LEU . 17277 1 33 . ILE . 17277 1 34 . ASN . 17277 1 35 . PHE . 17277 1 36 . TRP . 17277 1 37 . PHE . 17277 1 38 . PRO . 17277 1 39 . SER . 17277 1 40 . CYS . 17277 1 41 . PRO . 17277 1 42 . GLY . 17277 1 43 . CYS . 17277 1 44 . VAL . 17277 1 45 . SER . 17277 1 46 . GLU . 17277 1 47 . MET . 17277 1 48 . PRO . 17277 1 49 . LYS . 17277 1 50 . ILE . 17277 1 51 . ILE . 17277 1 52 . LYS . 17277 1 53 . THR . 17277 1 54 . ALA . 17277 1 55 . ASN . 17277 1 56 . ASP . 17277 1 57 . TYR . 17277 1 58 . LYS . 17277 1 59 . ASN . 17277 1 60 . LYS . 17277 1 61 . ASN . 17277 1 62 . PHE . 17277 1 63 . GLN . 17277 1 64 . VAL . 17277 1 65 . LEU . 17277 1 66 . ALA . 17277 1 67 . VAL . 17277 1 68 . ALA . 17277 1 69 . GLN . 17277 1 70 . PRO . 17277 1 71 . ILE . 17277 1 72 . ASP . 17277 1 73 . PRO . 17277 1 74 . ILE . 17277 1 75 . GLU . 17277 1 76 . SER . 17277 1 77 . VAL . 17277 1 78 . ARG . 17277 1 79 . GLN . 17277 1 80 . TYR . 17277 1 81 . VAL . 17277 1 82 . LYS . 17277 1 83 . ASP . 17277 1 84 . TYR . 17277 1 85 . GLY . 17277 1 86 . LEU . 17277 1 87 . PRO . 17277 1 88 . PHE . 17277 1 89 . THR . 17277 1 90 . VAL . 17277 1 91 . MET . 17277 1 92 . TYR . 17277 1 93 . ASP . 17277 1 94 . ALA . 17277 1 95 . ASP . 17277 1 96 . LYS . 17277 1 97 . ALA . 17277 1 98 . VAL . 17277 1 99 . GLY . 17277 1 100 . GLN . 17277 1 101 . ALA . 17277 1 102 . PHE . 17277 1 103 . GLY . 17277 1 104 . THR . 17277 1 105 . GLN . 17277 1 106 . VAL . 17277 1 107 . TYR . 17277 1 108 . PRO . 17277 1 109 . THR . 17277 1 110 . SER . 17277 1 111 . VAL . 17277 1 112 . LEU . 17277 1 113 . ILE . 17277 1 114 . GLY . 17277 1 115 . LYS . 17277 1 116 . LYS . 17277 1 117 . GLY . 17277 1 118 . GLU . 17277 1 119 . ILE . 17277 1 120 . LEU . 17277 1 121 . LYS . 17277 1 122 . THR . 17277 1 123 . TYR . 17277 1 124 . VAL . 17277 1 125 . GLY . 17277 1 126 . GLU . 17277 1 127 . PRO . 17277 1 128 . ASP . 17277 1 129 . PHE . 17277 1 130 . GLY . 17277 1 131 . LYS . 17277 1 132 . LEU . 17277 1 133 . TYR . 17277 1 134 . GLN . 17277 1 135 . GLU . 17277 1 136 . ILE . 17277 1 137 . ASP . 17277 1 138 . THR . 17277 1 139 . ALA . 17277 1 140 . TRP . 17277 1 141 . ARG . 17277 1 142 . ASN . 17277 1 143 . SER . 17277 1 144 . ASP . 17277 1 145 . ALA . 17277 1 146 . GLU . 17277 1 147 . GLY . 17277 1 148 . HIS . 17277 1 149 . HIS . 17277 1 150 . HIS . 17277 1 151 . HIS . 17277 1 152 . HIS . 17277 1 153 . HIS . 17277 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17277 1 . SER 2 2 17277 1 . LEU 3 3 17277 1 . ASP 4 4 17277 1 . SER 5 5 17277 1 . LYS 6 6 17277 1 . THR 7 7 17277 1 . ALA 8 8 17277 1 . PRO 9 9 17277 1 . ALA 10 10 17277 1 . PHE 11 11 17277 1 . SER 12 12 17277 1 . LEU 13 13 17277 1 . PRO 14 14 17277 1 . ASP 15 15 17277 1 . LEU 16 16 17277 1 . HIS 17 17 17277 1 . GLY 18 18 17277 1 . LYS 19 19 17277 1 . THR 20 20 17277 1 . VAL 21 21 17277 1 . SER 22 22 17277 1 . ASN 23 23 17277 1 . ALA 24 24 17277 1 . ASP 25 25 17277 1 . LEU 26 26 17277 1 . GLN 27 27 17277 1 . GLY 28 28 17277 1 . LYS 29 29 17277 1 . VAL 30 30 17277 1 . THR 31 31 17277 1 . LEU 32 32 17277 1 . ILE 33 33 17277 1 . ASN 34 34 17277 1 . PHE 35 35 17277 1 . TRP 36 36 17277 1 . PHE 37 37 17277 1 . PRO 38 38 17277 1 . SER 39 39 17277 1 . CYS 40 40 17277 1 . PRO 41 41 17277 1 . GLY 42 42 17277 1 . CYS 43 43 17277 1 . VAL 44 44 17277 1 . SER 45 45 17277 1 . GLU 46 46 17277 1 . MET 47 47 17277 1 . PRO 48 48 17277 1 . LYS 49 49 17277 1 . ILE 50 50 17277 1 . ILE 51 51 17277 1 . LYS 52 52 17277 1 . THR 53 53 17277 1 . ALA 54 54 17277 1 . ASN 55 55 17277 1 . ASP 56 56 17277 1 . TYR 57 57 17277 1 . LYS 58 58 17277 1 . ASN 59 59 17277 1 . LYS 60 60 17277 1 . ASN 61 61 17277 1 . PHE 62 62 17277 1 . GLN 63 63 17277 1 . VAL 64 64 17277 1 . LEU 65 65 17277 1 . ALA 66 66 17277 1 . VAL 67 67 17277 1 . ALA 68 68 17277 1 . GLN 69 69 17277 1 . PRO 70 70 17277 1 . ILE 71 71 17277 1 . ASP 72 72 17277 1 . PRO 73 73 17277 1 . ILE 74 74 17277 1 . GLU 75 75 17277 1 . SER 76 76 17277 1 . VAL 77 77 17277 1 . ARG 78 78 17277 1 . GLN 79 79 17277 1 . TYR 80 80 17277 1 . VAL 81 81 17277 1 . LYS 82 82 17277 1 . ASP 83 83 17277 1 . TYR 84 84 17277 1 . GLY 85 85 17277 1 . LEU 86 86 17277 1 . PRO 87 87 17277 1 . PHE 88 88 17277 1 . THR 89 89 17277 1 . VAL 90 90 17277 1 . MET 91 91 17277 1 . TYR 92 92 17277 1 . ASP 93 93 17277 1 . ALA 94 94 17277 1 . ASP 95 95 17277 1 . LYS 96 96 17277 1 . ALA 97 97 17277 1 . VAL 98 98 17277 1 . GLY 99 99 17277 1 . GLN 100 100 17277 1 . ALA 101 101 17277 1 . PHE 102 102 17277 1 . GLY 103 103 17277 1 . THR 104 104 17277 1 . GLN 105 105 17277 1 . VAL 106 106 17277 1 . TYR 107 107 17277 1 . PRO 108 108 17277 1 . THR 109 109 17277 1 . SER 110 110 17277 1 . VAL 111 111 17277 1 . LEU 112 112 17277 1 . ILE 113 113 17277 1 . GLY 114 114 17277 1 . LYS 115 115 17277 1 . LYS 116 116 17277 1 . GLY 117 117 17277 1 . GLU 118 118 17277 1 . ILE 119 119 17277 1 . LEU 120 120 17277 1 . LYS 121 121 17277 1 . THR 122 122 17277 1 . TYR 123 123 17277 1 . VAL 124 124 17277 1 . GLY 125 125 17277 1 . GLU 126 126 17277 1 . PRO 127 127 17277 1 . ASP 128 128 17277 1 . PHE 129 129 17277 1 . GLY 130 130 17277 1 . LYS 131 131 17277 1 . LEU 132 132 17277 1 . TYR 133 133 17277 1 . GLN 134 134 17277 1 . GLU 135 135 17277 1 . ILE 136 136 17277 1 . ASP 137 137 17277 1 . THR 138 138 17277 1 . ALA 139 139 17277 1 . TRP 140 140 17277 1 . ARG 141 141 17277 1 . ASN 142 142 17277 1 . SER 143 143 17277 1 . ASP 144 144 17277 1 . ALA 145 145 17277 1 . GLU 146 146 17277 1 . GLY 147 147 17277 1 . HIS 148 148 17277 1 . HIS 149 149 17277 1 . HIS 150 150 17277 1 . HIS 151 151 17277 1 . HIS 152 152 17277 1 . HIS 153 153 17277 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17277 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $putative_thioredoxin . 487 organism . 'Neisseria meningitidis' 'Neisseria meningitidis' . . Bacteria . Neisseria meningitidis . . . . . . . . . . . . . . . . NMB1958 . . . . 17277 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 17277 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $putative_thioredoxin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . pET . . 'modified pET26' . . . . . . 17277 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17277 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Na phosphate buffer, 100mM NaCl, pH 7.0, 1mM DTT' _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 'putative thioredoxin' '[U-100% 13C; U-100% 15N]' . . 1 $putative_thioredoxin . . 1 . . mM . . . . 17277 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17277 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17277 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17277 1 5 H20 'natural abundance' . . . . . . 90 . . % . . . . 17277 1 6 D20 'natural abundance' . . . . . . 10 . . % . . . . 17277 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17277 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Na phosphate buffer, 100mM NaCl, pD6.6, 1mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'putative thioredoxin' 'natural abundance' . . 1 $putative_thioredoxin . . 1 . . mM . . . . 17277 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17277 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17277 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17277 2 5 D20 'natural abundance' . . . . . . 100 . . % . . . . 17277 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 17277 _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' 100 . mM 17277 1 pH 7.0 . pH 17277 1 pressure 1 . atm 17277 1 temperature 298 . K 17277 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17277 _Software.ID 1 _Software.Name CNS _Software.Version 1.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 17277 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17277 1 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 17277 _Software.ID 2 _Software.Name CCPN_Analysis _Software.Version 2.1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17277 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17277 2 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 17277 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17277 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17277 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17277 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 600 . . . 17277 1 2 spectrometer_2 Bruker DRX . 600 . . . 17277 1 3 spectrometer_3 Bruker Avance . 500 . . . 17277 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 17277 _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 '15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17277 1 2 '15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17277 1 3 '13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17277 1 4 'aromatic 13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17277 1 5 '13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17277 1 6 '13C aromatic NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17277 1 7 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17277 1 8 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17277 1 9 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17277 1 10 HNCOCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17277 1 11 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17277 1 12 CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17277 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 17277 _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 . . . . . . . . . 17277 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17277 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17277 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 17277 _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 0.4 _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 '15N HSQC' . . . 17277 1 3 '13C HSQC' . . . 17277 1 4 'aromatic 13C HSQC' . . . 17277 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CCPN_Analysis . . 17277 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 4 4 ASP H H 1 8.374 0.007 . 1 . . . . 1 Asp HN . 17277 1 2 . 1 1 4 4 ASP HA H 1 4.614 0.002 . 1 . . . . 1 Asp HA . 17277 1 3 . 1 1 4 4 ASP HB2 H 1 2.695 0.020 . 2 . . . . 1 Asp HB2 . 17277 1 4 . 1 1 4 4 ASP HB3 H 1 2.617 0.020 . 2 . . . . 1 Asp HB3 . 17277 1 5 . 1 1 4 4 ASP C C 13 176.202 0.006 . 1 . . . . 1 Asp C . 17277 1 6 . 1 1 4 4 ASP CA C 13 54.307 0.039 . 1 . . . . 1 Asp CA . 17277 1 7 . 1 1 4 4 ASP CB C 13 41.028 0.102 . 1 . . . . 1 Asp CB . 17277 1 8 . 1 1 4 4 ASP N N 15 120.664 0.069 . 1 . . . . 1 Asp N . 17277 1 9 . 1 1 5 5 SER H H 1 8.076 0.003 . 1 . . . . 2 Ser H . 17277 1 10 . 1 1 5 5 SER HA H 1 4.442 0.005 . 1 . . . . 2 Ser HA . 17277 1 11 . 1 1 5 5 SER HB2 H 1 3.841 0.009 . 2 . . . . 2 Ser HB2 . 17277 1 12 . 1 1 5 5 SER HB3 H 1 3.841 0.009 . 2 . . . . 2 Ser HB3 . 17277 1 13 . 1 1 5 5 SER C C 13 174.121 0.029 . 1 . . . . 2 Ser C . 17277 1 14 . 1 1 5 5 SER CA C 13 58.741 0.049 . 1 . . . . 2 Ser CA . 17277 1 15 . 1 1 5 5 SER CB C 13 63.837 0.018 . 1 . . . . 2 Ser CB . 17277 1 16 . 1 1 5 5 SER N N 15 116.395 0.071 . 1 . . . . 2 Ser N . 17277 1 17 . 1 1 6 6 LYS H H 1 8.626 0.005 . 1 . . . . 3 Lys H . 17277 1 18 . 1 1 6 6 LYS HA H 1 4.470 0.008 . 1 . . . . 3 Lys HA . 17277 1 19 . 1 1 6 6 LYS HB2 H 1 1.932 0.000 . 2 . . . . 3 Lys HB2 . 17277 1 20 . 1 1 6 6 LYS HB3 H 1 1.783 0.009 . 2 . . . . 3 Lys HB3 . 17277 1 21 . 1 1 6 6 LYS HD2 H 1 1.694 0.000 . 1 . . . . 3 Lys HD2 . 17277 1 22 . 1 1 6 6 LYS HD3 H 1 1.694 0.000 . 1 . . . . 3 Lys HD3 . 17277 1 23 . 1 1 6 6 LYS HE2 H 1 2.996 0.000 . 1 . . . . 3 Lys HE2 . 17277 1 24 . 1 1 6 6 LYS HE3 H 1 2.996 0.000 . 1 . . . . 3 Lys HE3 . 17277 1 25 . 1 1 6 6 LYS HG2 H 1 1.468 0.014 . 2 . . . . 3 Lys HG2 . 17277 1 26 . 1 1 6 6 LYS HG3 H 1 1.386 0.000 . 2 . . . . 3 Lys HG3 . 17277 1 27 . 1 1 6 6 LYS C C 13 176.088 0.010 . 1 . . . . 3 Lys C . 17277 1 28 . 1 1 6 6 LYS CA C 13 55.644 0.093 . 1 . . . . 3 Lys CA . 17277 1 29 . 1 1 6 6 LYS CB C 13 33.191 0.161 . 1 . . . . 3 Lys CB . 17277 1 30 . 1 1 6 6 LYS CD C 13 28.906 0.000 . 1 . . . . 3 Lys CD . 17277 1 31 . 1 1 6 6 LYS CE C 13 41.943 0.000 . 1 . . . . 3 Lys CE . 17277 1 32 . 1 1 6 6 LYS CG C 13 24.854 0.005 . 1 . . . . 3 Lys CG . 17277 1 33 . 1 1 6 6 LYS N N 15 123.555 0.036 . 1 . . . . 3 Lys N . 17277 1 34 . 1 1 7 7 THR H H 1 8.214 0.004 . 1 . . . . 4 Thr H . 17277 1 35 . 1 1 7 7 THR HA H 1 4.315 0.005 . 1 . . . . 4 Thr HA . 17277 1 36 . 1 1 7 7 THR HB H 1 3.984 0.006 . 1 . . . . 4 Thr HB . 17277 1 37 . 1 1 7 7 THR HG21 H 1 1.278 0.007 . 1 . . . . 4 Thr HG21 . 17277 1 38 . 1 1 7 7 THR HG22 H 1 1.278 0.007 . 1 . . . . 4 Thr HG22 . 17277 1 39 . 1 1 7 7 THR HG23 H 1 1.278 0.007 . 1 . . . . 4 Thr HG23 . 17277 1 40 . 1 1 7 7 THR C C 13 174.009 0.020 . 1 . . . . 4 Thr C . 17277 1 41 . 1 1 7 7 THR CA C 13 62.571 0.034 . 1 . . . . 4 Thr CA . 17277 1 42 . 1 1 7 7 THR CB C 13 69.940 0.011 . 1 . . . . 4 Thr CB . 17277 1 43 . 1 1 7 7 THR CG2 C 13 21.863 0.015 . 1 . . . . 4 Thr CG2 . 17277 1 44 . 1 1 7 7 THR N N 15 117.371 0.049 . 1 . . . . 4 Thr N . 17277 1 45 . 1 1 8 8 ALA H H 1 8.889 0.005 . 1 . . . . 5 Ala H . 17277 1 46 . 1 1 8 8 ALA HA H 1 4.176 0.002 . 1 . . . . 5 Ala HA . 17277 1 47 . 1 1 8 8 ALA HB1 H 1 1.474 0.005 . 1 . . . . 5 Ala HB1 . 17277 1 48 . 1 1 8 8 ALA HB2 H 1 1.474 0.005 . 1 . . . . 5 Ala HB2 . 17277 1 49 . 1 1 8 8 ALA HB3 H 1 1.474 0.005 . 1 . . . . 5 Ala HB3 . 17277 1 50 . 1 1 8 8 ALA C C 13 173.949 0.000 . 1 . . . . 5 Ala C . 17277 1 51 . 1 1 8 8 ALA CA C 13 50.964 0.007 . 1 . . . . 5 Ala CA . 17277 1 52 . 1 1 8 8 ALA CB C 13 16.678 0.026 . 1 . . . . 5 Ala CB . 17277 1 53 . 1 1 8 8 ALA N N 15 128.033 0.037 . 1 . . . . 5 Ala N . 17277 1 54 . 1 1 9 9 PRO HA H 1 4.276 0.004 . 1 . . . . 6 Pro HA . 17277 1 55 . 1 1 9 9 PRO HB2 H 1 2.057 0.000 . 2 . . . . 6 Pro HB2 . 17277 1 56 . 1 1 9 9 PRO HB3 H 1 1.586 0.004 . 2 . . . . 6 Pro HB3 . 17277 1 57 . 1 1 9 9 PRO HD2 H 1 3.248 0.002 . 2 . . . . 6 Pro HD2 . 17277 1 58 . 1 1 9 9 PRO HD3 H 1 2.532 0.007 . 2 . . . . 6 Pro HD3 . 17277 1 59 . 1 1 9 9 PRO HG2 H 1 1.201 0.005 . 2 . . . . 6 Pro HG2 . 17277 1 60 . 1 1 9 9 PRO HG3 H 1 0.925 0.003 . 2 . . . . 6 Pro HG3 . 17277 1 61 . 1 1 9 9 PRO C C 13 175.003 0.014 . 1 . . . . 6 Pro C . 17277 1 62 . 1 1 9 9 PRO CA C 13 61.708 0.015 . 1 . . . . 6 Pro CA . 17277 1 63 . 1 1 9 9 PRO CB C 13 32.444 0.185 . 1 . . . . 6 Pro CB . 17277 1 64 . 1 1 9 9 PRO CD C 13 50.124 0.011 . 1 . . . . 6 Pro CD . 17277 1 65 . 1 1 9 9 PRO CG C 13 26.398 0.004 . 1 . . . . 6 Pro CG . 17277 1 66 . 1 1 10 10 ALA H H 1 8.030 0.003 . 1 . . . . 7 Ala H . 17277 1 67 . 1 1 10 10 ALA HA H 1 4.433 0.007 . 1 . . . . 7 Ala HA . 17277 1 68 . 1 1 10 10 ALA HB1 H 1 1.299 0.007 . 1 . . . . 7 Ala HB1 . 17277 1 69 . 1 1 10 10 ALA HB2 H 1 1.299 0.007 . 1 . . . . 7 Ala HB2 . 17277 1 70 . 1 1 10 10 ALA HB3 H 1 1.299 0.007 . 1 . . . . 7 Ala HB3 . 17277 1 71 . 1 1 10 10 ALA C C 13 178.344 0.010 . 1 . . . . 7 Ala C . 17277 1 72 . 1 1 10 10 ALA CA C 13 52.119 0.060 . 1 . . . . 7 Ala CA . 17277 1 73 . 1 1 10 10 ALA CB C 13 18.769 0.017 . 1 . . . . 7 Ala CB . 17277 1 74 . 1 1 10 10 ALA N N 15 121.582 0.035 . 1 . . . . 7 Ala N . 17277 1 75 . 1 1 11 11 PHE H H 1 9.028 0.006 . 1 . . . . 8 Phe H . 17277 1 76 . 1 1 11 11 PHE HA H 1 4.851 0.005 . 1 . . . . 8 Phe HA . 17277 1 77 . 1 1 11 11 PHE HB2 H 1 3.083 0.009 . 1 . . . . 8 Phe HB2 . 17277 1 78 . 1 1 11 11 PHE HB3 H 1 3.083 0.009 . 1 . . . . 8 Phe HB3 . 17277 1 79 . 1 1 11 11 PHE HD1 H 1 7.306 0.006 . 3 . . . . 8 Phe HD1 . 17277 1 80 . 1 1 11 11 PHE HD2 H 1 7.306 0.006 . 3 . . . . 8 Phe HD2 . 17277 1 81 . 1 1 11 11 PHE HE1 H 1 6.965 0.004 . 3 . . . . 8 Phe HE1 . 17277 1 82 . 1 1 11 11 PHE HE2 H 1 6.965 0.004 . 3 . . . . 8 Phe HE2 . 17277 1 83 . 1 1 11 11 PHE HZ H 1 6.679 0.004 . 1 . . . . 8 Phe HZ . 17277 1 84 . 1 1 11 11 PHE C C 13 173.308 0.016 . 1 . . . . 8 Phe C . 17277 1 85 . 1 1 11 11 PHE CA C 13 56.527 0.023 . 1 . . . . 8 Phe CA . 17277 1 86 . 1 1 11 11 PHE CB C 13 42.585 0.057 . 1 . . . . 8 Phe CB . 17277 1 87 . 1 1 11 11 PHE CD1 C 13 133.341 0.046 . 3 . . . . 8 Phe CD1 . 17277 1 88 . 1 1 11 11 PHE CD2 C 13 133.341 0.046 . 3 . . . . 8 Phe CD2 . 17277 1 89 . 1 1 11 11 PHE CE1 C 13 129.661 0.094 . 3 . . . . 8 Phe CE1 . 17277 1 90 . 1 1 11 11 PHE CE2 C 13 129.661 0.094 . 3 . . . . 8 Phe CE2 . 17277 1 91 . 1 1 11 11 PHE CZ C 13 127.878 0.044 . 1 . . . . 8 Phe CZ . 17277 1 92 . 1 1 11 11 PHE N N 15 118.535 0.044 . 1 . . . . 8 Phe N . 17277 1 93 . 1 1 12 12 SER H H 1 8.481 0.003 . 1 . . . . 9 Ser H . 17277 1 94 . 1 1 12 12 SER HA H 1 5.046 0.005 . 1 . . . . 9 Ser HA . 17277 1 95 . 1 1 12 12 SER HB2 H 1 3.683 0.011 . 2 . . . . 9 Ser HB2 . 17277 1 96 . 1 1 12 12 SER HB3 H 1 3.684 0.009 . 2 . . . . 9 Ser HB3 . 17277 1 97 . 1 1 12 12 SER C C 13 173.491 0.021 . 1 . . . . 9 Ser C . 17277 1 98 . 1 1 12 12 SER CA C 13 57.643 0.062 . 1 . . . . 9 Ser CA . 17277 1 99 . 1 1 12 12 SER CB C 13 63.196 0.056 . 1 . . . . 9 Ser CB . 17277 1 100 . 1 1 12 12 SER N N 15 113.385 0.044 . 1 . . . . 9 Ser N . 17277 1 101 . 1 1 13 13 LEU H H 1 9.383 0.003 . 1 . . . . 10 Leu H . 17277 1 102 . 1 1 13 13 LEU HA H 1 5.124 0.005 . 1 . . . . 10 Leu HA . 17277 1 103 . 1 1 13 13 LEU HB2 H 1 1.903 0.015 . 2 . . . . 10 Leu HB2 . 17277 1 104 . 1 1 13 13 LEU HB3 H 1 1.903 0.015 . 2 . . . . 10 Leu HB3 . 17277 1 105 . 1 1 13 13 LEU HD11 H 1 1.140 0.010 . 2 . . . . 10 Leu HD11 . 17277 1 106 . 1 1 13 13 LEU HD12 H 1 1.140 0.010 . 2 . . . . 10 Leu HD12 . 17277 1 107 . 1 1 13 13 LEU HD13 H 1 1.140 0.010 . 2 . . . . 10 Leu HD13 . 17277 1 108 . 1 1 13 13 LEU HD21 H 1 1.036 0.011 . 2 . . . . 10 Leu HD21 . 17277 1 109 . 1 1 13 13 LEU HD22 H 1 1.036 0.011 . 2 . . . . 10 Leu HD22 . 17277 1 110 . 1 1 13 13 LEU HD23 H 1 1.036 0.011 . 2 . . . . 10 Leu HD23 . 17277 1 111 . 1 1 13 13 LEU HG H 1 1.809 0.008 . 1 . . . . 10 Leu HG . 17277 1 112 . 1 1 13 13 LEU CA C 13 53.995 0.015 . 1 . . . . 10 Leu CA . 17277 1 113 . 1 1 13 13 LEU CB C 13 44.180 0.029 . 1 . . . . 10 Leu CB . 17277 1 114 . 1 1 13 13 LEU CD1 C 13 26.124 0.015 . 2 . . . . 10 Leu CD1 . 17277 1 115 . 1 1 13 13 LEU CD2 C 13 26.420 0.002 . 2 . . . . 10 Leu CD2 . 17277 1 116 . 1 1 13 13 LEU CG C 13 27.544 0.000 . 1 . . . . 10 Leu CG . 17277 1 117 . 1 1 13 13 LEU N N 15 129.224 0.037 . 1 . . . . 10 Leu N . 17277 1 118 . 1 1 14 14 PRO HA H 1 5.092 0.007 . 1 . . . . 11 Pro HA . 17277 1 119 . 1 1 14 14 PRO HB2 H 1 2.107 0.013 . 1 . . . . 11 Pro HB2 . 17277 1 120 . 1 1 14 14 PRO HB3 H 1 2.107 0.013 . 1 . . . . 11 Pro HB3 . 17277 1 121 . 1 1 14 14 PRO HD2 H 1 3.926 0.005 . 1 . . . . 11 Pro HD2 . 17277 1 122 . 1 1 14 14 PRO HD3 H 1 3.926 0.005 . 1 . . . . 11 Pro HD3 . 17277 1 123 . 1 1 14 14 PRO HG2 H 1 2.237 0.006 . 2 . . . . 11 Pro HG2 . 17277 1 124 . 1 1 14 14 PRO HG3 H 1 2.108 0.008 . 2 . . . . 11 Pro HG3 . 17277 1 125 . 1 1 14 14 PRO C C 13 178.150 0.000 . 1 . . . . 11 Pro C . 17277 1 126 . 1 1 14 14 PRO CA C 13 61.854 0.010 . 1 . . . . 11 Pro CA . 17277 1 127 . 1 1 14 14 PRO CB C 13 32.148 0.061 . 1 . . . . 11 Pro CB . 17277 1 128 . 1 1 14 14 PRO CD C 13 50.682 0.006 . 1 . . . . 11 Pro CD . 17277 1 129 . 1 1 14 14 PRO CG C 13 27.526 0.017 . 1 . . . . 11 Pro CG . 17277 1 130 . 1 1 15 15 ASP H H 1 9.103 0.007 . 1 . . . . 12 Asp H . 17277 1 131 . 1 1 15 15 ASP HA H 1 5.014 0.010 . 1 . . . . 12 Asp HA . 17277 1 132 . 1 1 15 15 ASP HB2 H 1 3.620 0.007 . 2 . . . . 12 Asp HB2 . 17277 1 133 . 1 1 15 15 ASP HB3 H 1 2.665 0.008 . 2 . . . . 12 Asp HB3 . 17277 1 134 . 1 1 15 15 ASP C C 13 179.158 0.000 . 1 . . . . 12 Asp C . 17277 1 135 . 1 1 15 15 ASP CA C 13 52.662 0.016 . 1 . . . . 12 Asp CA . 17277 1 136 . 1 1 15 15 ASP CB C 13 42.079 0.027 . 1 . . . . 12 Asp CB . 17277 1 137 . 1 1 15 15 ASP N N 15 121.751 0.092 . 1 . . . . 12 Asp N . 17277 1 138 . 1 1 16 16 LEU H H 1 7.821 0.005 . 1 . . . . 13 Leu H . 17277 1 139 . 1 1 16 16 LEU HA H 1 4.165 0.009 . 1 . . . . 13 Leu HA . 17277 1 140 . 1 1 16 16 LEU HB2 H 1 1.594 0.011 . 2 . . . . 13 Leu HB2 . 17277 1 141 . 1 1 16 16 LEU HB3 H 1 1.459 0.003 . 2 . . . . 13 Leu HB3 . 17277 1 142 . 1 1 16 16 LEU HD11 H 1 1.004 0.009 . 2 . . . . 13 Leu HD11 . 17277 1 143 . 1 1 16 16 LEU HD12 H 1 1.004 0.009 . 2 . . . . 13 Leu HD12 . 17277 1 144 . 1 1 16 16 LEU HD13 H 1 1.004 0.009 . 2 . . . . 13 Leu HD13 . 17277 1 145 . 1 1 16 16 LEU HD21 H 1 0.855 0.008 . 2 . . . . 13 Leu HD21 . 17277 1 146 . 1 1 16 16 LEU HD22 H 1 0.855 0.008 . 2 . . . . 13 Leu HD22 . 17277 1 147 . 1 1 16 16 LEU HD23 H 1 0.855 0.008 . 2 . . . . 13 Leu HD23 . 17277 1 148 . 1 1 16 16 LEU HG H 1 1.903 0.009 . 1 . . . . 13 Leu HG . 17277 1 149 . 1 1 16 16 LEU C C 13 178.050 0.000 . 1 . . . . 13 Leu C . 17277 1 150 . 1 1 16 16 LEU CA C 13 56.967 0.029 . 1 . . . . 13 Leu CA . 17277 1 151 . 1 1 16 16 LEU CB C 13 41.295 0.013 . 1 . . . . 13 Leu CB . 17277 1 152 . 1 1 16 16 LEU CD1 C 13 26.344 0.015 . 2 . . . . 13 Leu CD1 . 17277 1 153 . 1 1 16 16 LEU CD2 C 13 22.145 0.015 . 2 . . . . 13 Leu CD2 . 17277 1 154 . 1 1 16 16 LEU CG C 13 26.656 0.000 . 1 . . . . 13 Leu CG . 17277 1 155 . 1 1 16 16 LEU N N 15 115.417 0.045 . 1 . . . . 13 Leu N . 17277 1 156 . 1 1 17 17 HIS H H 1 8.446 0.004 . 1 . . . . 14 His H . 17277 1 157 . 1 1 17 17 HIS HA H 1 4.868 0.015 . 1 . . . . 14 His HA . 17277 1 158 . 1 1 17 17 HIS HB2 H 1 3.506 0.002 . 2 . . . . 14 His HB2 . 17277 1 159 . 1 1 17 17 HIS HB3 H 1 3.369 0.007 . 2 . . . . 14 His HB3 . 17277 1 160 . 1 1 17 17 HIS HD2 H 1 7.262 0.006 . 1 . . . . 14 His HD2 . 17277 1 161 . 1 1 17 17 HIS C C 13 175.853 0.014 . 1 . . . . 14 His C . 17277 1 162 . 1 1 17 17 HIS CA C 13 55.072 0.067 . 1 . . . . 14 His CA . 17277 1 163 . 1 1 17 17 HIS CB C 13 29.954 0.025 . 1 . . . . 14 His CB . 17277 1 164 . 1 1 17 17 HIS CD2 C 13 120.217 0.000 . 1 . . . . 14 His CD2 . 17277 1 165 . 1 1 17 17 HIS N N 15 117.109 0.051 . 1 . . . . 14 His N . 17277 1 166 . 1 1 18 18 GLY H H 1 8.219 0.005 . 1 . . . . 15 Gly H . 17277 1 167 . 1 1 18 18 GLY HA2 H 1 3.737 0.011 . 2 . . . . 15 Gly HA2 . 17277 1 168 . 1 1 18 18 GLY HA3 H 1 4.408 0.013 . 2 . . . . 15 Gly HA3 . 17277 1 169 . 1 1 18 18 GLY C C 13 173.912 0.001 . 1 . . . . 15 Gly C . 17277 1 170 . 1 1 18 18 GLY CA C 13 45.460 0.013 . 1 . . . . 15 Gly CA . 17277 1 171 . 1 1 18 18 GLY N N 15 108.919 0.050 . 1 . . . . 15 Gly N . 17277 1 172 . 1 1 19 19 LYS H H 1 8.745 0.004 . 1 . . . . 16 Lys H . 17277 1 173 . 1 1 19 19 LYS HA H 1 4.476 0.007 . 1 . . . . 16 Lys HA . 17277 1 174 . 1 1 19 19 LYS HB2 H 1 1.989 0.010 . 2 . . . . 16 Lys HB2 . 17277 1 175 . 1 1 19 19 LYS HB3 H 1 1.833 0.002 . 2 . . . . 16 Lys HB3 . 17277 1 176 . 1 1 19 19 LYS HD2 H 1 1.707 0.000 . 1 . . . . 16 Lys HD2 . 17277 1 177 . 1 1 19 19 LYS HD3 H 1 1.707 0.000 . 1 . . . . 16 Lys HD3 . 17277 1 178 . 1 1 19 19 LYS HE2 H 1 3.040 0.000 . 1 . . . . 16 Lys HE2 . 17277 1 179 . 1 1 19 19 LYS HE3 H 1 3.040 0.000 . 1 . . . . 16 Lys HE3 . 17277 1 180 . 1 1 19 19 LYS HG2 H 1 1.502 0.020 . 2 . . . . 16 Lys HG2 . 17277 1 181 . 1 1 19 19 LYS HG3 H 1 1.462 0.020 . 2 . . . . 16 Lys HG3 . 17277 1 182 . 1 1 19 19 LYS C C 13 176.572 0.017 . 1 . . . . 16 Lys C . 17277 1 183 . 1 1 19 19 LYS CA C 13 55.564 0.013 . 1 . . . . 16 Lys CA . 17277 1 184 . 1 1 19 19 LYS CB C 13 32.919 0.137 . 1 . . . . 16 Lys CB . 17277 1 185 . 1 1 19 19 LYS CD C 13 28.907 0.000 . 1 . . . . 16 Lys CD . 17277 1 186 . 1 1 19 19 LYS CE C 13 41.998 0.000 . 1 . . . . 16 Lys CE . 17277 1 187 . 1 1 19 19 LYS CG C 13 25.454 0.009 . 1 . . . . 16 Lys CG . 17277 1 188 . 1 1 19 19 LYS N N 15 126.166 0.039 . 1 . . . . 16 Lys N . 17277 1 189 . 1 1 20 20 THR H H 1 8.783 0.003 . 1 . . . . 17 Thr H . 17277 1 190 . 1 1 20 20 THR HA H 1 3.790 0.010 . 1 . . . . 17 Thr HA . 17277 1 191 . 1 1 20 20 THR HB H 1 3.965 0.005 . 1 . . . . 17 Thr HB . 17277 1 192 . 1 1 20 20 THR HG21 H 1 1.059 0.005 . 1 . . . . 17 Thr HG21 . 17277 1 193 . 1 1 20 20 THR HG22 H 1 1.059 0.005 . 1 . . . . 17 Thr HG22 . 17277 1 194 . 1 1 20 20 THR HG23 H 1 1.059 0.005 . 1 . . . . 17 Thr HG23 . 17277 1 195 . 1 1 20 20 THR C C 13 173.296 0.018 . 1 . . . . 17 Thr C . 17277 1 196 . 1 1 20 20 THR CA C 13 66.066 0.024 . 1 . . . . 17 Thr CA . 17277 1 197 . 1 1 20 20 THR CB C 13 69.020 0.024 . 1 . . . . 17 Thr CB . 17277 1 198 . 1 1 20 20 THR CG2 C 13 22.526 0.021 . 1 . . . . 17 Thr CG2 . 17277 1 199 . 1 1 20 20 THR N N 15 123.574 0.026 . 1 . . . . 17 Thr N . 17277 1 200 . 1 1 21 21 VAL H H 1 8.958 0.005 . 1 . . . . 18 Val H . 17277 1 201 . 1 1 21 21 VAL HA H 1 4.517 0.007 . 1 . . . . 18 Val HA . 17277 1 202 . 1 1 21 21 VAL HB H 1 2.271 0.000 . 1 . . . . 18 Val HB . 17277 1 203 . 1 1 21 21 VAL HG11 H 1 1.123 0.013 . 2 . . . . 18 Val HG11 . 17277 1 204 . 1 1 21 21 VAL HG12 H 1 1.123 0.013 . 2 . . . . 18 Val HG12 . 17277 1 205 . 1 1 21 21 VAL HG13 H 1 1.123 0.013 . 2 . . . . 18 Val HG13 . 17277 1 206 . 1 1 21 21 VAL HG21 H 1 1.136 0.003 . 2 . . . . 18 Val HG21 . 17277 1 207 . 1 1 21 21 VAL HG22 H 1 1.136 0.003 . 2 . . . . 18 Val HG22 . 17277 1 208 . 1 1 21 21 VAL HG23 H 1 1.136 0.003 . 2 . . . . 18 Val HG23 . 17277 1 209 . 1 1 21 21 VAL C C 13 173.998 0.027 . 1 . . . . 18 Val C . 17277 1 210 . 1 1 21 21 VAL CA C 13 61.470 0.024 . 1 . . . . 18 Val CA . 17277 1 211 . 1 1 21 21 VAL CB C 13 33.382 0.183 . 1 . . . . 18 Val CB . 17277 1 212 . 1 1 21 21 VAL CG1 C 13 21.366 0.000 . 2 . . . . 18 Val CG1 . 17277 1 213 . 1 1 21 21 VAL CG2 C 13 21.836 0.017 . 2 . . . . 18 Val CG2 . 17277 1 214 . 1 1 21 21 VAL N N 15 132.916 0.042 . 1 . . . . 18 Val N . 17277 1 215 . 1 1 22 22 SER H H 1 9.375 0.003 . 1 . . . . 19 Ser H . 17277 1 216 . 1 1 22 22 SER HA H 1 4.638 0.005 . 1 . . . . 19 Ser HA . 17277 1 217 . 1 1 22 22 SER HB2 H 1 4.187 0.004 . 2 . . . . 19 Ser HB2 . 17277 1 218 . 1 1 22 22 SER HB3 H 1 3.704 0.002 . 2 . . . . 19 Ser HB3 . 17277 1 219 . 1 1 22 22 SER C C 13 175.403 0.002 . 1 . . . . 19 Ser C . 17277 1 220 . 1 1 22 22 SER CA C 13 57.187 0.018 . 1 . . . . 19 Ser CA . 17277 1 221 . 1 1 22 22 SER CB C 13 68.234 0.019 . 1 . . . . 19 Ser CB . 17277 1 222 . 1 1 22 22 SER N N 15 121.027 0.039 . 1 . . . . 19 Ser N . 17277 1 223 . 1 1 23 23 ASN H H 1 7.704 0.006 . 1 . . . . 20 Asn H . 17277 1 224 . 1 1 23 23 ASN HA H 1 3.907 0.008 . 1 . . . . 20 Asn HA . 17277 1 225 . 1 1 23 23 ASN HB2 H 1 2.709 0.000 . 2 . . . . 20 Asn HB2 . 17277 1 226 . 1 1 23 23 ASN HB3 H 1 2.398 0.001 . 2 . . . . 20 Asn HB3 . 17277 1 227 . 1 1 23 23 ASN HD21 H 1 7.719 0.008 . 1 . . . . 20 Asn HD21 . 17277 1 228 . 1 1 23 23 ASN HD22 H 1 7.607 0.004 . 1 . . . . 20 Asn HD22 . 17277 1 229 . 1 1 23 23 ASN C C 13 177.593 0.020 . 1 . . . . 20 Asn C . 17277 1 230 . 1 1 23 23 ASN CA C 13 56.907 0.034 . 1 . . . . 20 Asn CA . 17277 1 231 . 1 1 23 23 ASN CB C 13 37.553 0.078 . 1 . . . . 20 Asn CB . 17277 1 232 . 1 1 23 23 ASN N N 15 113.393 0.062 . 1 . . . . 20 Asn N . 17277 1 233 . 1 1 23 23 ASN ND2 N 15 113.499 0.065 . 1 . . . . 20 Asn ND2 . 17277 1 234 . 1 1 24 24 ALA H H 1 8.166 0.004 . 1 . . . . 21 Ala H . 17277 1 235 . 1 1 24 24 ALA HA H 1 4.126 0.007 . 1 . . . . 21 Ala HA . 17277 1 236 . 1 1 24 24 ALA HB1 H 1 1.340 0.005 . 1 . . . . 21 Ala HB1 . 17277 1 237 . 1 1 24 24 ALA HB2 H 1 1.340 0.005 . 1 . . . . 21 Ala HB2 . 17277 1 238 . 1 1 24 24 ALA HB3 H 1 1.340 0.005 . 1 . . . . 21 Ala HB3 . 17277 1 239 . 1 1 24 24 ALA C C 13 180.192 0.008 . 1 . . . . 21 Ala C . 17277 1 240 . 1 1 24 24 ALA CA C 13 55.342 0.027 . 1 . . . . 21 Ala CA . 17277 1 241 . 1 1 24 24 ALA CB C 13 18.065 0.049 . 1 . . . . 21 Ala CB . 17277 1 242 . 1 1 24 24 ALA N N 15 123.152 0.034 . 1 . . . . 21 Ala N . 17277 1 243 . 1 1 25 25 ASP H H 1 7.963 0.004 . 1 . . . . 22 Asp H . 17277 1 244 . 1 1 25 25 ASP HA H 1 4.497 0.004 . 1 . . . . 22 Asp HA . 17277 1 245 . 1 1 25 25 ASP HB2 H 1 2.885 0.006 . 1 . . . . 22 Asp HB2 . 17277 1 246 . 1 1 25 25 ASP HB3 H 1 2.885 0.006 . 1 . . . . 22 Asp HB3 . 17277 1 247 . 1 1 25 25 ASP C C 13 176.386 0.037 . 1 . . . . 22 Asp C . 17277 1 248 . 1 1 25 25 ASP CA C 13 56.585 0.049 . 1 . . . . 22 Asp CA . 17277 1 249 . 1 1 25 25 ASP CB C 13 41.203 0.025 . 1 . . . . 22 Asp CB . 17277 1 250 . 1 1 25 25 ASP N N 15 115.519 0.023 . 1 . . . . 22 Asp N . 17277 1 251 . 1 1 26 26 LEU H H 1 7.694 0.004 . 1 . . . . 23 Leu H . 17277 1 252 . 1 1 26 26 LEU HA H 1 3.924 0.004 . 1 . . . . 23 Leu HA . 17277 1 253 . 1 1 26 26 LEU HB2 H 1 2.021 0.006 . 2 . . . . 23 Leu HB2 . 17277 1 254 . 1 1 26 26 LEU HB3 H 1 1.928 0.006 . 2 . . . . 23 Leu HB3 . 17277 1 255 . 1 1 26 26 LEU HD11 H 1 0.904 0.007 . 2 . . . . 23 Leu HD11 . 17277 1 256 . 1 1 26 26 LEU HD12 H 1 0.904 0.007 . 2 . . . . 23 Leu HD12 . 17277 1 257 . 1 1 26 26 LEU HD13 H 1 0.904 0.007 . 2 . . . . 23 Leu HD13 . 17277 1 258 . 1 1 26 26 LEU HD21 H 1 1.264 0.009 . 2 . . . . 23 Leu HD21 . 17277 1 259 . 1 1 26 26 LEU HD22 H 1 1.264 0.009 . 2 . . . . 23 Leu HD22 . 17277 1 260 . 1 1 26 26 LEU HD23 H 1 1.264 0.009 . 2 . . . . 23 Leu HD23 . 17277 1 261 . 1 1 26 26 LEU HG H 1 1.933 0.013 . 1 . . . . 23 Leu HG . 17277 1 262 . 1 1 26 26 LEU C C 13 178.216 0.027 . 1 . . . . 23 Leu C . 17277 1 263 . 1 1 26 26 LEU CA C 13 54.999 0.023 . 1 . . . . 23 Leu CA . 17277 1 264 . 1 1 26 26 LEU CB C 13 41.177 0.022 . 1 . . . . 23 Leu CB . 17277 1 265 . 1 1 26 26 LEU CD1 C 13 22.648 0.019 . 2 . . . . 23 Leu CD1 . 17277 1 266 . 1 1 26 26 LEU CD2 C 13 26.039 0.024 . 2 . . . . 23 Leu CD2 . 17277 1 267 . 1 1 26 26 LEU CG C 13 26.985 0.000 . 1 . . . . 23 Leu CG . 17277 1 268 . 1 1 26 26 LEU N N 15 115.303 0.042 . 1 . . . . 23 Leu N . 17277 1 269 . 1 1 27 27 GLN H H 1 6.788 0.003 . 1 . . . . 24 Gln H . 17277 1 270 . 1 1 27 27 GLN HA H 1 3.933 0.009 . 1 . . . . 24 Gln HA . 17277 1 271 . 1 1 27 27 GLN HB2 H 1 2.201 0.014 . 2 . . . . 24 Gln HB2 . 17277 1 272 . 1 1 27 27 GLN HB3 H 1 2.035 0.000 . 2 . . . . 24 Gln HB3 . 17277 1 273 . 1 1 27 27 GLN HE21 H 1 7.322 0.002 . 1 . . . . 24 Gln HE21 . 17277 1 274 . 1 1 27 27 GLN HE22 H 1 6.519 0.004 . 1 . . . . 24 Gln HE22 . 17277 1 275 . 1 1 27 27 GLN HG2 H 1 2.523 0.006 . 2 . . . . 24 Gln HG2 . 17277 1 276 . 1 1 27 27 GLN HG3 H 1 2.456 0.002 . 2 . . . . 24 Gln HG3 . 17277 1 277 . 1 1 27 27 GLN C C 13 177.787 0.036 . 1 . . . . 24 Gln C . 17277 1 278 . 1 1 27 27 GLN CA C 13 56.864 0.028 . 1 . . . . 24 Gln CA . 17277 1 279 . 1 1 27 27 GLN CB C 13 28.143 0.132 . 1 . . . . 24 Gln CB . 17277 1 280 . 1 1 27 27 GLN CG C 13 33.355 0.002 . 1 . . . . 24 Gln CG . 17277 1 281 . 1 1 27 27 GLN N N 15 114.218 0.031 . 1 . . . . 24 Gln N . 17277 1 282 . 1 1 27 27 GLN NE2 N 15 111.072 0.031 . 1 . . . . 24 Gln NE2 . 17277 1 283 . 1 1 28 28 GLY H H 1 9.923 0.007 . 1 . . . . 25 Gly H . 17277 1 284 . 1 1 28 28 GLY HA2 H 1 4.319 0.003 . 2 . . . . 25 Gly HA2 . 17277 1 285 . 1 1 28 28 GLY HA3 H 1 3.835 0.005 . 2 . . . . 25 Gly HA3 . 17277 1 286 . 1 1 28 28 GLY C C 13 173.022 0.000 . 1 . . . . 25 Gly C . 17277 1 287 . 1 1 28 28 GLY CA C 13 45.664 0.022 . 1 . . . . 25 Gly CA . 17277 1 288 . 1 1 28 28 GLY N N 15 112.172 0.049 . 1 . . . . 25 Gly N . 17277 1 289 . 1 1 29 29 LYS H H 1 7.521 0.003 . 1 . . . . 26 Lys H . 17277 1 290 . 1 1 29 29 LYS HA H 1 4.934 0.006 . 1 . . . . 26 Lys HA . 17277 1 291 . 1 1 29 29 LYS HB2 H 1 1.599 0.008 . 2 . . . . 26 Lys HB2 . 17277 1 292 . 1 1 29 29 LYS HB3 H 1 1.296 0.017 . 2 . . . . 26 Lys HB3 . 17277 1 293 . 1 1 29 29 LYS HD2 H 1 1.417 0.020 . 2 . . . . 26 Lys HD2 . 17277 1 294 . 1 1 29 29 LYS HD3 H 1 1.417 0.020 . 2 . . . . 26 Lys HD3 . 17277 1 295 . 1 1 29 29 LYS HE2 H 1 2.922 0.000 . 1 . . . . 26 Lys HE2 . 17277 1 296 . 1 1 29 29 LYS HE3 H 1 2.922 0.000 . 1 . . . . 26 Lys HE3 . 17277 1 297 . 1 1 29 29 LYS HG2 H 1 1.244 0.010 . 1 . . . . 26 Lys HG2 . 17277 1 298 . 1 1 29 29 LYS HG3 H 1 1.244 0.010 . 1 . . . . 26 Lys HG3 . 17277 1 299 . 1 1 29 29 LYS C C 13 173.351 0.000 . 1 . . . . 26 Lys C . 17277 1 300 . 1 1 29 29 LYS CA C 13 54.253 0.028 . 1 . . . . 26 Lys CA . 17277 1 301 . 1 1 29 29 LYS CB C 13 36.141 0.029 . 1 . . . . 26 Lys CB . 17277 1 302 . 1 1 29 29 LYS CD C 13 29.186 0.011 . 1 . . . . 26 Lys CD . 17277 1 303 . 1 1 29 29 LYS CE C 13 42.241 0.000 . 1 . . . . 26 Lys CE . 17277 1 304 . 1 1 29 29 LYS CG C 13 24.857 0.001 . 1 . . . . 26 Lys CG . 17277 1 305 . 1 1 29 29 LYS N N 15 119.820 0.039 . 1 . . . . 26 Lys N . 17277 1 306 . 1 1 30 30 VAL H H 1 7.925 0.005 . 1 . . . . 27 Val H . 17277 1 307 . 1 1 30 30 VAL HA H 1 4.772 0.009 . 1 . . . . 27 Val HA . 17277 1 308 . 1 1 30 30 VAL HB H 1 2.212 0.010 . 1 . . . . 27 Val HB . 17277 1 309 . 1 1 30 30 VAL HG11 H 1 1.114 0.012 . 2 . . . . 27 Val HG11 . 17277 1 310 . 1 1 30 30 VAL HG12 H 1 1.114 0.012 . 2 . . . . 27 Val HG12 . 17277 1 311 . 1 1 30 30 VAL HG13 H 1 1.114 0.012 . 2 . . . . 27 Val HG13 . 17277 1 312 . 1 1 30 30 VAL HG21 H 1 1.099 0.008 . 2 . . . . 27 Val HG21 . 17277 1 313 . 1 1 30 30 VAL HG22 H 1 1.099 0.008 . 2 . . . . 27 Val HG22 . 17277 1 314 . 1 1 30 30 VAL HG23 H 1 1.099 0.008 . 2 . . . . 27 Val HG23 . 17277 1 315 . 1 1 30 30 VAL C C 13 175.132 0.000 . 1 . . . . 27 Val C . 17277 1 316 . 1 1 30 30 VAL CA C 13 62.047 0.020 . 1 . . . . 27 Val CA . 17277 1 317 . 1 1 30 30 VAL CB C 13 33.207 0.060 . 1 . . . . 27 Val CB . 17277 1 318 . 1 1 30 30 VAL CG1 C 13 22.454 0.000 . 2 . . . . 27 Val CG1 . 17277 1 319 . 1 1 30 30 VAL CG2 C 13 22.359 0.000 . 2 . . . . 27 Val CG2 . 17277 1 320 . 1 1 30 30 VAL N N 15 117.554 0.035 . 1 . . . . 27 Val N . 17277 1 321 . 1 1 31 31 THR H H 1 9.155 0.007 . 1 . . . . 28 Thr H . 17277 1 322 . 1 1 31 31 THR HA H 1 5.134 0.008 . 1 . . . . 28 Thr HA . 17277 1 323 . 1 1 31 31 THR HB H 1 3.758 0.006 . 1 . . . . 28 Thr HB . 17277 1 324 . 1 1 31 31 THR HG21 H 1 0.852 0.007 . 1 . . . . 28 Thr HG21 . 17277 1 325 . 1 1 31 31 THR HG22 H 1 0.852 0.007 . 1 . . . . 28 Thr HG22 . 17277 1 326 . 1 1 31 31 THR HG23 H 1 0.852 0.007 . 1 . . . . 28 Thr HG23 . 17277 1 327 . 1 1 31 31 THR C C 13 172.888 0.033 . 1 . . . . 28 Thr C . 17277 1 328 . 1 1 31 31 THR CA C 13 60.815 0.018 . 1 . . . . 28 Thr CA . 17277 1 329 . 1 1 31 31 THR CB C 13 71.191 0.030 . 1 . . . . 28 Thr CB . 17277 1 330 . 1 1 31 31 THR CG2 C 13 21.346 0.015 . 1 . . . . 28 Thr CG2 . 17277 1 331 . 1 1 31 31 THR N N 15 122.246 0.067 . 1 . . . . 28 Thr N . 17277 1 332 . 1 1 32 32 LEU H H 1 8.486 0.006 . 1 . . . . 29 Leu H . 17277 1 333 . 1 1 32 32 LEU HA H 1 5.250 0.009 . 1 . . . . 29 Leu HA . 17277 1 334 . 1 1 32 32 LEU HB2 H 1 2.001 0.012 . 2 . . . . 29 Leu HB2 . 17277 1 335 . 1 1 32 32 LEU HB3 H 1 1.314 0.008 . 2 . . . . 29 Leu HB3 . 17277 1 336 . 1 1 32 32 LEU HD11 H 1 0.900 0.008 . 2 . . . . 29 Leu HD11 . 17277 1 337 . 1 1 32 32 LEU HD12 H 1 0.900 0.008 . 2 . . . . 29 Leu HD12 . 17277 1 338 . 1 1 32 32 LEU HD13 H 1 0.900 0.008 . 2 . . . . 29 Leu HD13 . 17277 1 339 . 1 1 32 32 LEU HD21 H 1 0.928 0.007 . 2 . . . . 29 Leu HD21 . 17277 1 340 . 1 1 32 32 LEU HD22 H 1 0.928 0.007 . 2 . . . . 29 Leu HD22 . 17277 1 341 . 1 1 32 32 LEU HD23 H 1 0.928 0.007 . 2 . . . . 29 Leu HD23 . 17277 1 342 . 1 1 32 32 LEU HG H 1 1.315 0.004 . 1 . . . . 29 Leu HG . 17277 1 343 . 1 1 32 32 LEU C C 13 174.558 0.047 . 1 . . . . 29 Leu C . 17277 1 344 . 1 1 32 32 LEU CA C 13 52.961 0.060 . 1 . . . . 29 Leu CA . 17277 1 345 . 1 1 32 32 LEU CB C 13 46.213 0.101 . 1 . . . . 29 Leu CB . 17277 1 346 . 1 1 32 32 LEU CD1 C 13 26.042 0.018 . 2 . . . . 29 Leu CD1 . 17277 1 347 . 1 1 32 32 LEU CD2 C 13 24.923 0.030 . 2 . . . . 29 Leu CD2 . 17277 1 348 . 1 1 32 32 LEU CG C 13 27.861 0.014 . 1 . . . . 29 Leu CG . 17277 1 349 . 1 1 32 32 LEU N N 15 128.117 0.068 . 1 . . . . 29 Leu N . 17277 1 350 . 1 1 33 33 ILE H H 1 9.473 0.004 . 1 . . . . 30 Ile H . 17277 1 351 . 1 1 33 33 ILE HA H 1 4.885 0.006 . 1 . . . . 30 Ile HA . 17277 1 352 . 1 1 33 33 ILE HB H 1 1.407 0.005 . 1 . . . . 30 Ile HB . 17277 1 353 . 1 1 33 33 ILE HD11 H 1 0.278 0.006 . 1 . . . . 30 Ile HD11 . 17277 1 354 . 1 1 33 33 ILE HD12 H 1 0.278 0.006 . 1 . . . . 30 Ile HD12 . 17277 1 355 . 1 1 33 33 ILE HD13 H 1 0.278 0.006 . 1 . . . . 30 Ile HD13 . 17277 1 356 . 1 1 33 33 ILE HG12 H 1 1.467 0.006 . 2 . . . . 30 Ile HG12 . 17277 1 357 . 1 1 33 33 ILE HG13 H 1 0.479 0.005 . 2 . . . . 30 Ile HG13 . 17277 1 358 . 1 1 33 33 ILE HG21 H 1 -0.215 0.007 . 1 . . . . 30 Ile HG21 . 17277 1 359 . 1 1 33 33 ILE HG22 H 1 -0.215 0.007 . 1 . . . . 30 Ile HG22 . 17277 1 360 . 1 1 33 33 ILE HG23 H 1 -0.215 0.007 . 1 . . . . 30 Ile HG23 . 17277 1 361 . 1 1 33 33 ILE C C 13 174.677 0.000 . 1 . . . . 30 Ile C . 17277 1 362 . 1 1 33 33 ILE CA C 13 60.235 0.061 . 1 . . . . 30 Ile CA . 17277 1 363 . 1 1 33 33 ILE CB C 13 37.735 0.030 . 1 . . . . 30 Ile CB . 17277 1 364 . 1 1 33 33 ILE CD1 C 13 13.753 0.011 . 1 . . . . 30 Ile CD1 . 17277 1 365 . 1 1 33 33 ILE CG1 C 13 28.003 0.018 . 1 . . . . 30 Ile CG1 . 17277 1 366 . 1 1 33 33 ILE CG2 C 13 17.810 0.021 . 1 . . . . 30 Ile CG2 . 17277 1 367 . 1 1 33 33 ILE N N 15 127.393 0.028 . 1 . . . . 30 Ile N . 17277 1 368 . 1 1 34 34 ASN H H 1 8.548 0.006 . 1 . . . . 31 Asn H . 17277 1 369 . 1 1 34 34 ASN HA H 1 5.304 0.010 . 1 . . . . 31 Asn HA . 17277 1 370 . 1 1 34 34 ASN HB2 H 1 2.037 0.008 . 1 . . . . 31 Asn HB2 . 17277 1 371 . 1 1 34 34 ASN HB3 H 1 2.035 0.008 . 1 . . . . 31 Asn HB3 . 17277 1 372 . 1 1 34 34 ASN HD21 H 1 7.103 0.009 . 1 . . . . 31 Asn HD21 . 17277 1 373 . 1 1 34 34 ASN HD22 H 1 7.103 0.009 . 1 . . . . 31 Asn HD22 . 17277 1 374 . 1 1 34 34 ASN C C 13 172.858 0.012 . 1 . . . . 31 Asn C . 17277 1 375 . 1 1 34 34 ASN CA C 13 52.508 0.010 . 1 . . . . 31 Asn CA . 17277 1 376 . 1 1 34 34 ASN CB C 13 44.621 0.034 . 1 . . . . 31 Asn CB . 17277 1 377 . 1 1 34 34 ASN N N 15 127.545 0.045 . 1 . . . . 31 Asn N . 17277 1 378 . 1 1 34 34 ASN ND2 N 15 107.485 0.021 . 1 . . . . 31 Asn ND2 . 17277 1 379 . 1 1 35 35 PHE H H 1 9.744 0.007 . 1 . . . . 32 Phe H . 17277 1 380 . 1 1 35 35 PHE HA H 1 5.536 0.009 . 1 . . . . 32 Phe HA . 17277 1 381 . 1 1 35 35 PHE HB2 H 1 3.535 0.006 . 2 . . . . 32 Phe HB2 . 17277 1 382 . 1 1 35 35 PHE HB3 H 1 3.044 0.008 . 2 . . . . 32 Phe HB3 . 17277 1 383 . 1 1 35 35 PHE HD1 H 1 7.203 0.009 . 3 . . . . 32 Phe HD1 . 17277 1 384 . 1 1 35 35 PHE HD2 H 1 7.203 0.009 . 3 . . . . 32 Phe HD2 . 17277 1 385 . 1 1 35 35 PHE HE1 H 1 6.611 0.006 . 3 . . . . 32 Phe HE1 . 17277 1 386 . 1 1 35 35 PHE HE2 H 1 6.611 0.006 . 3 . . . . 32 Phe HE2 . 17277 1 387 . 1 1 35 35 PHE HZ H 1 6.113 0.000 . 1 . . . . 32 Phe HZ . 17277 1 388 . 1 1 35 35 PHE C C 13 174.239 0.000 . 1 . . . . 32 Phe C . 17277 1 389 . 1 1 35 35 PHE CA C 13 58.048 0.035 . 1 . . . . 32 Phe CA . 17277 1 390 . 1 1 35 35 PHE CB C 13 40.405 0.038 . 1 . . . . 32 Phe CB . 17277 1 391 . 1 1 35 35 PHE CD1 C 13 132.464 0.083 . 3 . . . . 32 Phe CD1 . 17277 1 392 . 1 1 35 35 PHE CD2 C 13 132.464 0.083 . 3 . . . . 32 Phe CD2 . 17277 1 393 . 1 1 35 35 PHE CE1 C 13 130.054 0.120 . 3 . . . . 32 Phe CE1 . 17277 1 394 . 1 1 35 35 PHE CE2 C 13 130.054 0.120 . 3 . . . . 32 Phe CE2 . 17277 1 395 . 1 1 35 35 PHE CZ C 13 129.449 0.000 . 1 . . . . 32 Phe CZ . 17277 1 396 . 1 1 35 35 PHE N N 15 126.807 0.037 . 1 . . . . 32 Phe N . 17277 1 397 . 1 1 36 36 TRP H H 1 8.106 0.003 . 1 . . . . 33 Trp H . 17277 1 398 . 1 1 36 36 TRP HA H 1 4.960 0.007 . 1 . . . . 33 Trp HA . 17277 1 399 . 1 1 36 36 TRP HB2 H 1 3.584 0.013 . 2 . . . . 33 Trp HB2 . 17277 1 400 . 1 1 36 36 TRP HB3 H 1 3.195 0.011 . 2 . . . . 33 Trp HB3 . 17277 1 401 . 1 1 36 36 TRP HD1 H 1 7.133 0.007 . 1 . . . . 33 Trp HD1 . 17277 1 402 . 1 1 36 36 TRP HE1 H 1 7.859 0.008 . 1 . . . . 33 Trp HE1 . 17277 1 403 . 1 1 36 36 TRP HE3 H 1 7.032 0.008 . 1 . . . . 33 Trp HE3 . 17277 1 404 . 1 1 36 36 TRP HH2 H 1 6.824 0.007 . 1 . . . . 33 Trp HH2 . 17277 1 405 . 1 1 36 36 TRP HZ2 H 1 7.153 0.006 . 1 . . . . 33 Trp HZ2 . 17277 1 406 . 1 1 36 36 TRP HZ3 H 1 5.288 0.001 . 1 . . . . 33 Trp HZ3 . 17277 1 407 . 1 1 36 36 TRP C C 13 173.932 0.003 . 1 . . . . 33 Trp C . 17277 1 408 . 1 1 36 36 TRP CA C 13 54.746 0.012 . 1 . . . . 33 Trp CA . 17277 1 409 . 1 1 36 36 TRP CB C 13 32.613 0.024 . 1 . . . . 33 Trp CB . 17277 1 410 . 1 1 36 36 TRP CD1 C 13 126.495 0.045 . 1 . . . . 33 Trp CD1 . 17277 1 411 . 1 1 36 36 TRP CE3 C 13 120.985 0.000 . 1 . . . . 33 Trp CE3 . 17277 1 412 . 1 1 36 36 TRP CH2 C 13 123.282 0.052 . 1 . . . . 33 Trp CH2 . 17277 1 413 . 1 1 36 36 TRP CZ2 C 13 113.143 0.036 . 1 . . . . 33 Trp CZ2 . 17277 1 414 . 1 1 36 36 TRP CZ3 C 13 122.126 0.000 . 1 . . . . 33 Trp CZ3 . 17277 1 415 . 1 1 36 36 TRP N N 15 119.767 0.029 . 1 . . . . 33 Trp N . 17277 1 416 . 1 1 36 36 TRP NE1 N 15 124.707 0.015 . 1 . . . . 33 Trp NE1 . 17277 1 417 . 1 1 37 37 PHE H H 1 6.746 0.009 . 1 . . . . 34 Phe H . 17277 1 418 . 1 1 37 37 PHE HA H 1 3.327 0.007 . 1 . . . . 34 Phe HA . 17277 1 419 . 1 1 37 37 PHE HB2 H 1 3.398 0.009 . 2 . . . . 34 Phe HB2 . 17277 1 420 . 1 1 37 37 PHE HB3 H 1 3.237 0.016 . 2 . . . . 34 Phe HB3 . 17277 1 421 . 1 1 37 37 PHE HE1 H 1 7.159 0.010 . 3 . . . . 34 Phe HE1 . 17277 1 422 . 1 1 37 37 PHE HE2 H 1 7.159 0.010 . 3 . . . . 34 Phe HE2 . 17277 1 423 . 1 1 37 37 PHE HZ H 1 7.466 0.014 . 1 . . . . 34 Phe HZ . 17277 1 424 . 1 1 37 37 PHE CA C 13 57.369 0.024 . 1 . . . . 34 Phe CA . 17277 1 425 . 1 1 37 37 PHE CB C 13 35.585 0.032 . 1 . . . . 34 Phe CB . 17277 1 426 . 1 1 37 37 PHE CE1 C 13 131.646 0.000 . 3 . . . . 34 Phe CE1 . 17277 1 427 . 1 1 37 37 PHE CE2 C 13 131.646 0.000 . 3 . . . . 34 Phe CE2 . 17277 1 428 . 1 1 37 37 PHE CZ C 13 129.845 0.000 . 1 . . . . 34 Phe CZ . 17277 1 429 . 1 1 37 37 PHE N N 15 111.665 0.048 . 1 . . . . 34 Phe N . 17277 1 430 . 1 1 38 38 PRO HA H 1 3.891 0.006 . 1 . . . . 35 Pro HA . 17277 1 431 . 1 1 38 38 PRO HB2 H 1 2.444 0.007 . 2 . . . . 35 Pro HB2 . 17277 1 432 . 1 1 38 38 PRO HB3 H 1 2.065 0.013 . 2 . . . . 35 Pro HB3 . 17277 1 433 . 1 1 38 38 PRO HD2 H 1 4.210 0.006 . 2 . . . . 35 Pro HD2 . 17277 1 434 . 1 1 38 38 PRO HD3 H 1 2.364 0.009 . 2 . . . . 35 Pro HD3 . 17277 1 435 . 1 1 38 38 PRO HG2 H 1 1.817 0.000 . 2 . . . . 35 Pro HG2 . 17277 1 436 . 1 1 38 38 PRO HG3 H 1 1.667 0.008 . 2 . . . . 35 Pro HG3 . 17277 1 437 . 1 1 38 38 PRO C C 13 177.951 0.000 . 1 . . . . 35 Pro C . 17277 1 438 . 1 1 38 38 PRO CA C 13 66.954 0.019 . 1 . . . . 35 Pro CA . 17277 1 439 . 1 1 38 38 PRO CB C 13 32.407 0.017 . 1 . . . . 35 Pro CB . 17277 1 440 . 1 1 38 38 PRO CD C 13 50.174 0.012 . 1 . . . . 35 Pro CD . 17277 1 441 . 1 1 38 38 PRO CG C 13 27.302 0.004 . 1 . . . . 35 Pro CG . 17277 1 442 . 1 1 39 39 SER H H 1 9.721 0.006 . 1 . . . . 36 Ser H . 17277 1 443 . 1 1 39 39 SER HA H 1 4.485 0.007 . 1 . . . . 36 Ser HA . 17277 1 444 . 1 1 39 39 SER HB2 H 1 4.285 0.002 . 2 . . . . 36 Ser HB2 . 17277 1 445 . 1 1 39 39 SER HB3 H 1 4.056 0.003 . 2 . . . . 36 Ser HB3 . 17277 1 446 . 1 1 39 39 SER C C 13 173.967 0.000 . 1 . . . . 36 Ser C . 17277 1 447 . 1 1 39 39 SER CA C 13 58.554 0.029 . 1 . . . . 36 Ser CA . 17277 1 448 . 1 1 39 39 SER CB C 13 62.133 0.115 . 1 . . . . 36 Ser CB . 17277 1 449 . 1 1 39 39 SER N N 15 113.261 0.050 . 1 . . . . 36 Ser N . 17277 1 450 . 1 1 40 40 CYS H H 1 7.421 0.005 . 1 . . . . 37 Cys H . 17277 1 451 . 1 1 40 40 CYS HA H 1 3.895 0.005 . 1 . . . . 37 Cys HA . 17277 1 452 . 1 1 40 40 CYS HB2 H 1 2.614 0.004 . 2 . . . . 37 Cys HB2 . 17277 1 453 . 1 1 40 40 CYS HB3 H 1 0.296 0.009 . 2 . . . . 37 Cys HB3 . 17277 1 454 . 1 1 40 40 CYS C C 13 175.673 0.000 . 1 . . . . 37 Cys C . 17277 1 455 . 1 1 40 40 CYS CA C 13 57.592 0.013 . 1 . . . . 37 Cys CA . 17277 1 456 . 1 1 40 40 CYS CB C 13 26.391 0.019 . 1 . . . . 37 Cys CB . 17277 1 457 . 1 1 40 40 CYS N N 15 127.377 0.025 . 1 . . . . 37 Cys N . 17277 1 458 . 1 1 41 41 PRO HA H 1 4.429 0.004 . 1 . . . . 38 Pro HA . 17277 1 459 . 1 1 41 41 PRO HB2 H 1 2.554 0.004 . 2 . . . . 38 Pro HB2 . 17277 1 460 . 1 1 41 41 PRO HB3 H 1 2.115 0.004 . 2 . . . . 38 Pro HB3 . 17277 1 461 . 1 1 41 41 PRO HD2 H 1 4.503 0.003 . 2 . . . . 38 Pro HD2 . 17277 1 462 . 1 1 41 41 PRO HD3 H 1 4.039 0.004 . 2 . . . . 38 Pro HD3 . 17277 1 463 . 1 1 41 41 PRO HG2 H 1 2.339 0.003 . 2 . . . . 38 Pro HG2 . 17277 1 464 . 1 1 41 41 PRO HG3 H 1 2.176 0.007 . 2 . . . . 38 Pro HG3 . 17277 1 465 . 1 1 41 41 PRO C C 13 179.834 0.000 . 1 . . . . 38 Pro C . 17277 1 466 . 1 1 41 41 PRO CA C 13 65.940 0.011 . 1 . . . . 38 Pro CA . 17277 1 467 . 1 1 41 41 PRO CB C 13 32.224 0.015 . 1 . . . . 38 Pro CB . 17277 1 468 . 1 1 41 41 PRO CD C 13 51.673 0.007 . 1 . . . . 38 Pro CD . 17277 1 469 . 1 1 41 41 PRO CG C 13 27.860 0.003 . 1 . . . . 38 Pro CG . 17277 1 470 . 1 1 42 42 GLY H H 1 8.558 0.007 . 1 . . . . 39 Gly H . 17277 1 471 . 1 1 42 42 GLY HA2 H 1 3.834 0.008 . 2 . . . . 39 Gly HA2 . 17277 1 472 . 1 1 42 42 GLY HA3 H 1 4.184 0.003 . 2 . . . . 39 Gly HA3 . 17277 1 473 . 1 1 42 42 GLY C C 13 175.575 0.006 . 1 . . . . 39 Gly C . 17277 1 474 . 1 1 42 42 GLY CA C 13 46.327 0.020 . 1 . . . . 39 Gly CA . 17277 1 475 . 1 1 42 42 GLY N N 15 105.969 0.056 . 1 . . . . 39 Gly N . 17277 1 476 . 1 1 43 43 CYS H H 1 7.859 0.008 . 1 . . . . 40 Cys H . 17277 1 477 . 1 1 43 43 CYS HA H 1 4.207 0.006 . 1 . . . . 40 Cys HA . 17277 1 478 . 1 1 43 43 CYS HB2 H 1 3.367 0.004 . 2 . . . . 40 Cys HB2 . 17277 1 479 . 1 1 43 43 CYS HB3 H 1 2.869 0.007 . 2 . . . . 40 Cys HB3 . 17277 1 480 . 1 1 43 43 CYS C C 13 175.185 0.006 . 1 . . . . 40 Cys C . 17277 1 481 . 1 1 43 43 CYS CA C 13 63.360 0.047 . 1 . . . . 40 Cys CA . 17277 1 482 . 1 1 43 43 CYS CB C 13 27.495 0.018 . 1 . . . . 40 Cys CB . 17277 1 483 . 1 1 43 43 CYS N N 15 118.730 0.039 . 1 . . . . 40 Cys N . 17277 1 484 . 1 1 44 44 VAL H H 1 7.368 0.003 . 1 . . . . 41 Val H . 17277 1 485 . 1 1 44 44 VAL HA H 1 3.735 0.007 . 1 . . . . 41 Val HA . 17277 1 486 . 1 1 44 44 VAL HB H 1 2.164 0.005 . 1 . . . . 41 Val HB . 17277 1 487 . 1 1 44 44 VAL HG11 H 1 1.001 0.005 . 2 . . . . 41 Val HG11 . 17277 1 488 . 1 1 44 44 VAL HG12 H 1 1.001 0.005 . 2 . . . . 41 Val HG12 . 17277 1 489 . 1 1 44 44 VAL HG13 H 1 1.001 0.005 . 2 . . . . 41 Val HG13 . 17277 1 490 . 1 1 44 44 VAL HG21 H 1 1.178 0.005 . 2 . . . . 41 Val HG21 . 17277 1 491 . 1 1 44 44 VAL HG22 H 1 1.178 0.005 . 2 . . . . 41 Val HG22 . 17277 1 492 . 1 1 44 44 VAL HG23 H 1 1.178 0.005 . 2 . . . . 41 Val HG23 . 17277 1 493 . 1 1 44 44 VAL C C 13 178.361 0.000 . 1 . . . . 41 Val C . 17277 1 494 . 1 1 44 44 VAL CA C 13 66.235 0.026 . 1 . . . . 41 Val CA . 17277 1 495 . 1 1 44 44 VAL CB C 13 31.523 0.017 . 1 . . . . 41 Val CB . 17277 1 496 . 1 1 44 44 VAL CG1 C 13 20.859 0.011 . 2 . . . . 41 Val CG1 . 17277 1 497 . 1 1 44 44 VAL CG2 C 13 22.675 0.013 . 2 . . . . 41 Val CG2 . 17277 1 498 . 1 1 44 44 VAL N N 15 118.695 0.031 . 1 . . . . 41 Val N . 17277 1 499 . 1 1 45 45 SER H H 1 7.718 0.003 . 1 . . . . 42 Ser H . 17277 1 500 . 1 1 45 45 SER HA H 1 4.436 0.005 . 1 . . . . 42 Ser HA . 17277 1 501 . 1 1 45 45 SER HB2 H 1 3.923 0.008 . 2 . . . . 42 Ser HB2 . 17277 1 502 . 1 1 45 45 SER HB3 H 1 3.924 0.008 . 2 . . . . 42 Ser HB3 . 17277 1 503 . 1 1 45 45 SER C C 13 177.059 0.000 . 1 . . . . 42 Ser C . 17277 1 504 . 1 1 45 45 SER CA C 13 59.008 0.057 . 1 . . . . 42 Ser CA . 17277 1 505 . 1 1 45 45 SER CB C 13 63.104 0.014 . 1 . . . . 42 Ser CB . 17277 1 506 . 1 1 45 45 SER N N 15 109.267 0.031 . 1 . . . . 42 Ser N . 17277 1 507 . 1 1 46 46 GLU H H 1 7.495 0.003 . 1 . . . . 43 Glu H . 17277 1 508 . 1 1 46 46 GLU HA H 1 3.963 0.010 . 1 . . . . 43 Glu HA . 17277 1 509 . 1 1 46 46 GLU HB2 H 1 2.232 0.017 . 2 . . . . 43 Glu HB2 . 17277 1 510 . 1 1 46 46 GLU HB3 H 1 2.145 0.007 . 2 . . . . 43 Glu HB3 . 17277 1 511 . 1 1 46 46 GLU HG2 H 1 2.319 0.006 . 2 . . . . 43 Glu HG2 . 17277 1 512 . 1 1 46 46 GLU HG3 H 1 2.157 0.009 . 2 . . . . 43 Glu HG3 . 17277 1 513 . 1 1 46 46 GLU C C 13 178.293 0.013 . 1 . . . . 43 Glu C . 17277 1 514 . 1 1 46 46 GLU CA C 13 60.341 0.021 . 1 . . . . 43 Glu CA . 17277 1 515 . 1 1 46 46 GLU CB C 13 33.060 0.014 . 1 . . . . 43 Glu CB . 17277 1 516 . 1 1 46 46 GLU CG C 13 39.158 0.001 . 1 . . . . 43 Glu CG . 17277 1 517 . 1 1 46 46 GLU N N 15 120.236 0.033 . 1 . . . . 43 Glu N . 17277 1 518 . 1 1 47 47 MET H H 1 8.822 0.003 . 1 . . . . 44 Met H . 17277 1 519 . 1 1 47 47 MET HA H 1 4.642 0.005 . 1 . . . . 44 Met HA . 17277 1 520 . 1 1 47 47 MET HB2 H 1 2.272 0.008 . 2 . . . . 44 Met HB2 . 17277 1 521 . 1 1 47 47 MET HB3 H 1 2.164 0.007 . 2 . . . . 44 Met HB3 . 17277 1 522 . 1 1 47 47 MET HE1 H 1 1.110 0.006 . 1 . . . . 44 Met HE1 . 17277 1 523 . 1 1 47 47 MET HE2 H 1 1.110 0.006 . 1 . . . . 44 Met HE2 . 17277 1 524 . 1 1 47 47 MET HE3 H 1 1.110 0.006 . 1 . . . . 44 Met HE3 . 17277 1 525 . 1 1 47 47 MET HG2 H 1 2.766 0.006 . 2 . . . . 44 Met HG2 . 17277 1 526 . 1 1 47 47 MET HG3 H 1 2.421 0.005 . 2 . . . . 44 Met HG3 . 17277 1 527 . 1 1 47 47 MET C C 13 175.766 0.000 . 1 . . . . 44 Met C . 17277 1 528 . 1 1 47 47 MET CA C 13 59.439 0.011 . 1 . . . . 44 Met CA . 17277 1 529 . 1 1 47 47 MET CB C 13 28.133 0.023 . 1 . . . . 44 Met CB . 17277 1 530 . 1 1 47 47 MET CE C 13 15.495 0.012 . 1 . . . . 44 Met CE . 17277 1 531 . 1 1 47 47 MET CG C 13 32.531 0.020 . 1 . . . . 44 Met CG . 17277 1 532 . 1 1 47 47 MET N N 15 119.929 0.027 . 1 . . . . 44 Met N . 17277 1 533 . 1 1 48 48 PRO HA H 1 4.240 0.008 . 1 . . . . 45 Pro HA . 17277 1 534 . 1 1 48 48 PRO HB2 H 1 2.420 0.008 . 2 . . . . 45 Pro HB2 . 17277 1 535 . 1 1 48 48 PRO HB3 H 1 1.713 0.003 . 2 . . . . 45 Pro HB3 . 17277 1 536 . 1 1 48 48 PRO HD2 H 1 3.698 0.007 . 2 . . . . 45 Pro HD2 . 17277 1 537 . 1 1 48 48 PRO HD3 H 1 3.448 0.006 . 2 . . . . 45 Pro HD3 . 17277 1 538 . 1 1 48 48 PRO HG2 H 1 2.187 0.004 . 2 . . . . 45 Pro HG2 . 17277 1 539 . 1 1 48 48 PRO HG3 H 1 1.980 0.006 . 2 . . . . 45 Pro HG3 . 17277 1 540 . 1 1 48 48 PRO C C 13 179.770 0.000 . 1 . . . . 45 Pro C . 17277 1 541 . 1 1 48 48 PRO CA C 13 66.399 0.013 . 1 . . . . 45 Pro CA . 17277 1 542 . 1 1 48 48 PRO CB C 13 31.575 0.016 . 1 . . . . 45 Pro CB . 17277 1 543 . 1 1 48 48 PRO CD C 13 50.594 0.008 . 1 . . . . 45 Pro CD . 17277 1 544 . 1 1 48 48 PRO CG C 13 28.798 0.001 . 1 . . . . 45 Pro CG . 17277 1 545 . 1 1 49 49 LYS H H 1 7.130 0.003 . 1 . . . . 46 Lys H . 17277 1 546 . 1 1 49 49 LYS HA H 1 3.845 0.007 . 1 . . . . 46 Lys HA . 17277 1 547 . 1 1 49 49 LYS HB2 H 1 1.419 0.009 . 2 . . . . 46 Lys HB2 . 17277 1 548 . 1 1 49 49 LYS HB3 H 1 0.102 0.004 . 2 . . . . 46 Lys HB3 . 17277 1 549 . 1 1 49 49 LYS HD2 H 1 1.420 0.005 . 1 . . . . 46 Lys HD2 . 17277 1 550 . 1 1 49 49 LYS HD3 H 1 1.420 0.005 . 1 . . . . 46 Lys HD3 . 17277 1 551 . 1 1 49 49 LYS HE2 H 1 2.884 0.006 . 1 . . . . 46 Lys HE2 . 17277 1 552 . 1 1 49 49 LYS HE3 H 1 2.884 0.006 . 1 . . . . 46 Lys HE3 . 17277 1 553 . 1 1 49 49 LYS HG2 H 1 1.421 0.010 . 2 . . . . 46 Lys HG2 . 17277 1 554 . 1 1 49 49 LYS HG3 H 1 0.988 0.009 . 2 . . . . 46 Lys HG3 . 17277 1 555 . 1 1 49 49 LYS C C 13 179.974 0.026 . 1 . . . . 46 Lys C . 17277 1 556 . 1 1 49 49 LYS CA C 13 58.848 0.024 . 1 . . . . 46 Lys CA . 17277 1 557 . 1 1 49 49 LYS CB C 13 31.496 0.027 . 1 . . . . 46 Lys CB . 17277 1 558 . 1 1 49 49 LYS CD C 13 30.404 0.031 . 1 . . . . 46 Lys CD . 17277 1 559 . 1 1 49 49 LYS CE C 13 42.156 0.004 . 1 . . . . 46 Lys CE . 17277 1 560 . 1 1 49 49 LYS CG C 13 25.819 0.012 . 1 . . . . 46 Lys CG . 17277 1 561 . 1 1 49 49 LYS N N 15 116.261 0.051 . 1 . . . . 46 Lys N . 17277 1 562 . 1 1 50 50 ILE H H 1 8.251 0.006 . 1 . . . . 47 Ile H . 17277 1 563 . 1 1 50 50 ILE HA H 1 3.680 0.006 . 1 . . . . 47 Ile HA . 17277 1 564 . 1 1 50 50 ILE HB H 1 2.448 0.000 . 1 . . . . 47 Ile HB . 17277 1 565 . 1 1 50 50 ILE HD11 H 1 0.750 0.004 . 1 . . . . 47 Ile HD11 . 17277 1 566 . 1 1 50 50 ILE HD12 H 1 0.750 0.004 . 1 . . . . 47 Ile HD12 . 17277 1 567 . 1 1 50 50 ILE HD13 H 1 0.750 0.004 . 1 . . . . 47 Ile HD13 . 17277 1 568 . 1 1 50 50 ILE HG12 H 1 1.807 0.009 . 2 . . . . 47 Ile HG12 . 17277 1 569 . 1 1 50 50 ILE HG13 H 1 1.218 0.012 . 2 . . . . 47 Ile HG13 . 17277 1 570 . 1 1 50 50 ILE HG21 H 1 0.640 0.006 . 1 . . . . 47 Ile HG21 . 17277 1 571 . 1 1 50 50 ILE HG22 H 1 0.640 0.006 . 1 . . . . 47 Ile HG22 . 17277 1 572 . 1 1 50 50 ILE HG23 H 1 0.640 0.006 . 1 . . . . 47 Ile HG23 . 17277 1 573 . 1 1 50 50 ILE C C 13 178.137 0.000 . 1 . . . . 47 Ile C . 17277 1 574 . 1 1 50 50 ILE CA C 13 65.473 0.027 . 1 . . . . 47 Ile CA . 17277 1 575 . 1 1 50 50 ILE CB C 13 36.021 0.220 . 1 . . . . 47 Ile CB . 17277 1 576 . 1 1 50 50 ILE CD1 C 13 11.230 0.016 . 1 . . . . 47 Ile CD1 . 17277 1 577 . 1 1 50 50 ILE CG1 C 13 28.764 0.007 . 1 . . . . 47 Ile CG1 . 17277 1 578 . 1 1 50 50 ILE CG2 C 13 18.763 0.014 . 1 . . . . 47 Ile CG2 . 17277 1 579 . 1 1 50 50 ILE N N 15 126.664 0.044 . 1 . . . . 47 Ile N . 17277 1 580 . 1 1 51 51 ILE H H 1 8.650 0.006 . 1 . . . . 48 Ile H . 17277 1 581 . 1 1 51 51 ILE HA H 1 3.692 0.009 . 1 . . . . 48 Ile HA . 17277 1 582 . 1 1 51 51 ILE HB H 1 1.910 0.006 . 1 . . . . 48 Ile HB . 17277 1 583 . 1 1 51 51 ILE HD11 H 1 0.874 0.008 . 1 . . . . 48 Ile HD11 . 17277 1 584 . 1 1 51 51 ILE HD12 H 1 0.874 0.008 . 1 . . . . 48 Ile HD12 . 17277 1 585 . 1 1 51 51 ILE HD13 H 1 0.874 0.008 . 1 . . . . 48 Ile HD13 . 17277 1 586 . 1 1 51 51 ILE HG12 H 1 0.704 0.013 . 2 . . . . 48 Ile HG12 . 17277 1 587 . 1 1 51 51 ILE HG13 H 1 1.989 0.012 . 2 . . . . 48 Ile HG13 . 17277 1 588 . 1 1 51 51 ILE HG21 H 1 0.930 0.005 . 1 . . . . 48 Ile HG21 . 17277 1 589 . 1 1 51 51 ILE HG22 H 1 0.930 0.005 . 1 . . . . 48 Ile HG22 . 17277 1 590 . 1 1 51 51 ILE HG23 H 1 0.930 0.005 . 1 . . . . 48 Ile HG23 . 17277 1 591 . 1 1 51 51 ILE C C 13 177.497 0.016 . 1 . . . . 48 Ile C . 17277 1 592 . 1 1 51 51 ILE CA C 13 67.155 0.032 . 1 . . . . 48 Ile CA . 17277 1 593 . 1 1 51 51 ILE CB C 13 38.736 0.233 . 1 . . . . 48 Ile CB . 17277 1 594 . 1 1 51 51 ILE CD1 C 13 14.498 0.015 . 1 . . . . 48 Ile CD1 . 17277 1 595 . 1 1 51 51 ILE CG1 C 13 30.132 0.001 . 1 . . . . 48 Ile CG1 . 17277 1 596 . 1 1 51 51 ILE CG2 C 13 17.198 0.014 . 1 . . . . 48 Ile CG2 . 17277 1 597 . 1 1 51 51 ILE N N 15 121.084 0.046 . 1 . . . . 48 Ile N . 17277 1 598 . 1 1 52 52 LYS H H 1 7.671 0.004 . 1 . . . . 49 Lys H . 17277 1 599 . 1 1 52 52 LYS HA H 1 4.122 0.004 . 1 . . . . 49 Lys HA . 17277 1 600 . 1 1 52 52 LYS HB2 H 1 1.962 0.012 . 1 . . . . 49 Lys HB2 . 17277 1 601 . 1 1 52 52 LYS HB3 H 1 1.962 0.012 . 1 . . . . 49 Lys HB3 . 17277 1 602 . 1 1 52 52 LYS HD2 H 1 1.747 0.014 . 1 . . . . 49 Lys HD2 . 17277 1 603 . 1 1 52 52 LYS HD3 H 1 1.747 0.014 . 1 . . . . 49 Lys HD3 . 17277 1 604 . 1 1 52 52 LYS HE2 H 1 3.003 0.000 . 1 . . . . 49 Lys HE2 . 17277 1 605 . 1 1 52 52 LYS HE3 H 1 3.003 0.000 . 1 . . . . 49 Lys HE3 . 17277 1 606 . 1 1 52 52 LYS HG2 H 1 1.507 0.000 . 1 . . . . 49 Lys HG2 . 17277 1 607 . 1 1 52 52 LYS HG3 H 1 1.507 0.000 . 1 . . . . 49 Lys HG3 . 17277 1 608 . 1 1 52 52 LYS C C 13 177.746 0.002 . 1 . . . . 49 Lys C . 17277 1 609 . 1 1 52 52 LYS CA C 13 59.956 0.013 . 1 . . . . 49 Lys CA . 17277 1 610 . 1 1 52 52 LYS CB C 13 32.529 0.202 . 1 . . . . 49 Lys CB . 17277 1 611 . 1 1 52 52 LYS CD C 13 28.991 0.000 . 1 . . . . 49 Lys CD . 17277 1 612 . 1 1 52 52 LYS CE C 13 41.943 0.000 . 1 . . . . 49 Lys CE . 17277 1 613 . 1 1 52 52 LYS CG C 13 24.851 0.000 . 1 . . . . 49 Lys CG . 17277 1 614 . 1 1 52 52 LYS N N 15 118.879 0.030 . 1 . . . . 49 Lys N . 17277 1 615 . 1 1 53 53 THR H H 1 7.846 0.004 . 1 . . . . 50 Thr H . 17277 1 616 . 1 1 53 53 THR HA H 1 4.311 0.005 . 1 . . . . 50 Thr HA . 17277 1 617 . 1 1 53 53 THR HB H 1 4.571 0.007 . 1 . . . . 50 Thr HB . 17277 1 618 . 1 1 53 53 THR HG21 H 1 0.964 0.008 . 1 . . . . 50 Thr HG21 . 17277 1 619 . 1 1 53 53 THR HG22 H 1 0.964 0.008 . 1 . . . . 50 Thr HG22 . 17277 1 620 . 1 1 53 53 THR HG23 H 1 0.964 0.008 . 1 . . . . 50 Thr HG23 . 17277 1 621 . 1 1 53 53 THR C C 13 176.101 0.023 . 1 . . . . 50 Thr C . 17277 1 622 . 1 1 53 53 THR CA C 13 67.765 0.021 . 1 . . . . 50 Thr CA . 17277 1 623 . 1 1 53 53 THR CB C 13 68.945 0.045 . 1 . . . . 50 Thr CB . 17277 1 624 . 1 1 53 53 THR CG2 C 13 21.857 0.025 . 1 . . . . 50 Thr CG2 . 17277 1 625 . 1 1 53 53 THR N N 15 117.230 0.066 . 1 . . . . 50 Thr N . 17277 1 626 . 1 1 54 54 ALA H H 1 8.449 0.006 . 1 . . . . 51 Ala H . 17277 1 627 . 1 1 54 54 ALA HA H 1 4.213 0.012 . 1 . . . . 51 Ala HA . 17277 1 628 . 1 1 54 54 ALA HB1 H 1 1.826 0.008 . 1 . . . . 51 Ala HB1 . 17277 1 629 . 1 1 54 54 ALA HB2 H 1 1.826 0.008 . 1 . . . . 51 Ala HB2 . 17277 1 630 . 1 1 54 54 ALA HB3 H 1 1.826 0.008 . 1 . . . . 51 Ala HB3 . 17277 1 631 . 1 1 54 54 ALA C C 13 180.339 0.013 . 1 . . . . 51 Ala C . 17277 1 632 . 1 1 54 54 ALA CA C 13 55.437 0.029 . 1 . . . . 51 Ala CA . 17277 1 633 . 1 1 54 54 ALA CB C 13 18.065 0.032 . 1 . . . . 51 Ala CB . 17277 1 634 . 1 1 54 54 ALA N N 15 121.718 0.062 . 1 . . . . 51 Ala N . 17277 1 635 . 1 1 55 55 ASN H H 1 8.267 0.006 . 1 . . . . 52 Asn H . 17277 1 636 . 1 1 55 55 ASN HA H 1 4.589 0.005 . 1 . . . . 52 Asn HA . 17277 1 637 . 1 1 55 55 ASN HB2 H 1 2.977 0.000 . 2 . . . . 52 Asn HB2 . 17277 1 638 . 1 1 55 55 ASN HB3 H 1 2.922 0.000 . 2 . . . . 52 Asn HB3 . 17277 1 639 . 1 1 55 55 ASN HD21 H 1 7.587 0.003 . 1 . . . . 52 Asn HD21 . 17277 1 640 . 1 1 55 55 ASN HD22 H 1 6.989 0.006 . 1 . . . . 52 Asn HD22 . 17277 1 641 . 1 1 55 55 ASN C C 13 178.318 0.000 . 1 . . . . 52 Asn C . 17277 1 642 . 1 1 55 55 ASN CA C 13 56.129 0.122 . 1 . . . . 52 Asn CA . 17277 1 643 . 1 1 55 55 ASN CB C 13 38.600 0.121 . 1 . . . . 52 Asn CB . 17277 1 644 . 1 1 55 55 ASN N N 15 116.204 0.019 . 1 . . . . 52 Asn N . 17277 1 645 . 1 1 55 55 ASN ND2 N 15 112.761 0.012 . 1 . . . . 52 Asn ND2 . 17277 1 646 . 1 1 56 56 ASP H H 1 9.263 0.006 . 1 . . . . 53 Asp H . 17277 1 647 . 1 1 56 56 ASP HA H 1 4.388 0.004 . 1 . . . . 53 Asp HA . 17277 1 648 . 1 1 56 56 ASP HB2 H 1 2.775 0.005 . 2 . . . . 53 Asp HB2 . 17277 1 649 . 1 1 56 56 ASP HB3 H 1 2.254 0.004 . 2 . . . . 53 Asp HB3 . 17277 1 650 . 1 1 56 56 ASP C C 13 178.256 0.000 . 1 . . . . 53 Asp C . 17277 1 651 . 1 1 56 56 ASP CA C 13 57.051 0.081 . 1 . . . . 53 Asp CA . 17277 1 652 . 1 1 56 56 ASP CB C 13 39.596 0.022 . 1 . . . . 53 Asp CB . 17277 1 653 . 1 1 56 56 ASP N N 15 122.500 0.063 . 1 . . . . 53 Asp N . 17277 1 654 . 1 1 57 57 TYR H H 1 7.828 0.004 . 1 . . . . 54 Tyr H . 17277 1 655 . 1 1 57 57 TYR HA H 1 4.184 0.007 . 1 . . . . 54 Tyr HA . 17277 1 656 . 1 1 57 57 TYR HB2 H 1 3.079 0.007 . 2 . . . . 54 Tyr HB2 . 17277 1 657 . 1 1 57 57 TYR HB3 H 1 2.347 0.004 . 2 . . . . 54 Tyr HB3 . 17277 1 658 . 1 1 57 57 TYR HD1 H 1 6.728 0.007 . 3 . . . . 54 Tyr HD1 . 17277 1 659 . 1 1 57 57 TYR HD2 H 1 6.728 0.007 . 3 . . . . 54 Tyr HD2 . 17277 1 660 . 1 1 57 57 TYR HE1 H 1 5.785 0.007 . 3 . . . . 54 Tyr HE1 . 17277 1 661 . 1 1 57 57 TYR HE2 H 1 5.785 0.007 . 3 . . . . 54 Tyr HE2 . 17277 1 662 . 1 1 57 57 TYR C C 13 175.844 0.025 . 1 . . . . 54 Tyr C . 17277 1 663 . 1 1 57 57 TYR CA C 13 59.195 0.069 . 1 . . . . 54 Tyr CA . 17277 1 664 . 1 1 57 57 TYR CB C 13 37.529 0.033 . 1 . . . . 54 Tyr CB . 17277 1 665 . 1 1 57 57 TYR CD1 C 13 132.616 0.060 . 3 . . . . 54 Tyr CD1 . 17277 1 666 . 1 1 57 57 TYR CD2 C 13 132.616 0.060 . 3 . . . . 54 Tyr CD2 . 17277 1 667 . 1 1 57 57 TYR CE1 C 13 117.823 0.069 . 3 . . . . 54 Tyr CE1 . 17277 1 668 . 1 1 57 57 TYR CE2 C 13 117.823 0.069 . 3 . . . . 54 Tyr CE2 . 17277 1 669 . 1 1 57 57 TYR N N 15 116.497 0.046 . 1 . . . . 54 Tyr N . 17277 1 670 . 1 1 58 58 LYS H H 1 7.194 0.005 . 1 . . . . 55 Lys H . 17277 1 671 . 1 1 58 58 LYS HA H 1 4.326 0.004 . 1 . . . . 55 Lys HA . 17277 1 672 . 1 1 58 58 LYS HB2 H 1 2.245 0.004 . 2 . . . . 55 Lys HB2 . 17277 1 673 . 1 1 58 58 LYS HB3 H 1 2.018 0.007 . 2 . . . . 55 Lys HB3 . 17277 1 674 . 1 1 58 58 LYS HD2 H 1 1.850 0.009 . 1 . . . . 55 Lys HD2 . 17277 1 675 . 1 1 58 58 LYS HD3 H 1 1.851 0.009 . 1 . . . . 55 Lys HD3 . 17277 1 676 . 1 1 58 58 LYS HE2 H 1 3.104 0.001 . 1 . . . . 55 Lys HE2 . 17277 1 677 . 1 1 58 58 LYS HE3 H 1 3.104 0.001 . 1 . . . . 55 Lys HE3 . 17277 1 678 . 1 1 58 58 LYS HG2 H 1 1.609 0.006 . 2 . . . . 55 Lys HG2 . 17277 1 679 . 1 1 58 58 LYS HG3 H 1 1.531 0.003 . 2 . . . . 55 Lys HG3 . 17277 1 680 . 1 1 58 58 LYS C C 13 177.184 0.015 . 1 . . . . 55 Lys C . 17277 1 681 . 1 1 58 58 LYS CA C 13 59.374 0.029 . 1 . . . . 55 Lys CA . 17277 1 682 . 1 1 58 58 LYS CB C 13 32.517 0.121 . 1 . . . . 55 Lys CB . 17277 1 683 . 1 1 58 58 LYS CD C 13 29.467 0.000 . 1 . . . . 55 Lys CD . 17277 1 684 . 1 1 58 58 LYS CE C 13 41.993 0.000 . 1 . . . . 55 Lys CE . 17277 1 685 . 1 1 58 58 LYS CG C 13 24.091 0.009 . 1 . . . . 55 Lys CG . 17277 1 686 . 1 1 58 58 LYS N N 15 122.025 0.044 . 1 . . . . 55 Lys N . 17277 1 687 . 1 1 59 59 ASN H H 1 8.664 0.006 . 1 . . . . 56 Asn H . 17277 1 688 . 1 1 59 59 ASN HA H 1 4.946 0.006 . 1 . . . . 56 Asn HA . 17277 1 689 . 1 1 59 59 ASN HB2 H 1 3.007 0.000 . 2 . . . . 56 Asn HB2 . 17277 1 690 . 1 1 59 59 ASN HB3 H 1 2.798 0.008 . 2 . . . . 56 Asn HB3 . 17277 1 691 . 1 1 59 59 ASN HD21 H 1 7.601 0.007 . 1 . . . . 56 Asn HD21 . 17277 1 692 . 1 1 59 59 ASN HD22 H 1 6.946 0.002 . 1 . . . . 56 Asn HD22 . 17277 1 693 . 1 1 59 59 ASN C C 13 175.027 0.000 . 1 . . . . 56 Asn C . 17277 1 694 . 1 1 59 59 ASN CA C 13 53.433 0.018 . 1 . . . . 56 Asn CA . 17277 1 695 . 1 1 59 59 ASN CB C 13 37.992 0.029 . 1 . . . . 56 Asn CB . 17277 1 696 . 1 1 59 59 ASN N N 15 115.766 0.048 . 1 . . . . 56 Asn N . 17277 1 697 . 1 1 59 59 ASN ND2 N 15 112.770 0.029 . 1 . . . . 56 Asn ND2 . 17277 1 698 . 1 1 60 60 LYS H H 1 7.770 0.003 . 1 . . . . 57 Lys H . 17277 1 699 . 1 1 60 60 LYS HA H 1 4.184 0.006 . 1 . . . . 57 Lys HA . 17277 1 700 . 1 1 60 60 LYS HB2 H 1 1.433 0.016 . 1 . . . . 57 Lys HB2 . 17277 1 701 . 1 1 60 60 LYS HB3 H 1 1.433 0.016 . 1 . . . . 57 Lys HB3 . 17277 1 702 . 1 1 60 60 LYS HD2 H 1 1.041 0.005 . 1 . . . . 57 Lys HD2 . 17277 1 703 . 1 1 60 60 LYS HD3 H 1 1.041 0.005 . 1 . . . . 57 Lys HD3 . 17277 1 704 . 1 1 60 60 LYS HE2 H 1 2.487 0.007 . 1 . . . . 57 Lys HE2 . 17277 1 705 . 1 1 60 60 LYS HE3 H 1 2.487 0.007 . 1 . . . . 57 Lys HE3 . 17277 1 706 . 1 1 60 60 LYS HG2 H 1 0.990 0.009 . 2 . . . . 57 Lys HG2 . 17277 1 707 . 1 1 60 60 LYS HG3 H 1 0.463 0.004 . 2 . . . . 57 Lys HG3 . 17277 1 708 . 1 1 60 60 LYS C C 13 174.790 0.019 . 1 . . . . 57 Lys C . 17277 1 709 . 1 1 60 60 LYS CA C 13 55.185 0.014 . 1 . . . . 57 Lys CA . 17277 1 710 . 1 1 60 60 LYS CB C 13 33.402 0.108 . 1 . . . . 57 Lys CB . 17277 1 711 . 1 1 60 60 LYS CD C 13 29.604 0.016 . 1 . . . . 57 Lys CD . 17277 1 712 . 1 1 60 60 LYS CE C 13 41.894 0.010 . 1 . . . . 57 Lys CE . 17277 1 713 . 1 1 60 60 LYS CG C 13 25.231 0.013 . 1 . . . . 57 Lys CG . 17277 1 714 . 1 1 60 60 LYS N N 15 120.391 0.073 . 1 . . . . 57 Lys N . 17277 1 715 . 1 1 61 61 ASN H H 1 8.344 0.004 . 1 . . . . 58 Asn H . 17277 1 716 . 1 1 61 61 ASN HA H 1 4.600 0.005 . 1 . . . . 58 Asn HA . 17277 1 717 . 1 1 61 61 ASN HB2 H 1 2.830 0.008 . 2 . . . . 58 Asn HB2 . 17277 1 718 . 1 1 61 61 ASN HB3 H 1 3.279 0.003 . 2 . . . . 58 Asn HB3 . 17277 1 719 . 1 1 61 61 ASN HD21 H 1 7.584 0.001 . 1 . . . . 58 Asn HD21 . 17277 1 720 . 1 1 61 61 ASN HD22 H 1 7.281 0.001 . 1 . . . . 58 Asn HD22 . 17277 1 721 . 1 1 61 61 ASN C C 13 172.650 0.000 . 1 . . . . 58 Asn C . 17277 1 722 . 1 1 61 61 ASN CA C 13 53.816 0.027 . 1 . . . . 58 Asn CA . 17277 1 723 . 1 1 61 61 ASN CB C 13 37.182 0.015 . 1 . . . . 58 Asn CB . 17277 1 724 . 1 1 61 61 ASN N N 15 115.634 0.044 . 1 . . . . 58 Asn N . 17277 1 725 . 1 1 61 61 ASN ND2 N 15 112.120 0.093 . 1 . . . . 58 Asn ND2 . 17277 1 726 . 1 1 62 62 PHE H H 1 7.514 0.004 . 1 . . . . 59 Phe H . 17277 1 727 . 1 1 62 62 PHE HA H 1 6.002 0.007 . 1 . . . . 59 Phe HA . 17277 1 728 . 1 1 62 62 PHE HB2 H 1 2.821 0.015 . 1 . . . . 59 Phe HB2 . 17277 1 729 . 1 1 62 62 PHE HB3 H 1 2.821 0.015 . 1 . . . . 59 Phe HB3 . 17277 1 730 . 1 1 62 62 PHE HD1 H 1 6.913 0.008 . 3 . . . . 59 Phe HD1 . 17277 1 731 . 1 1 62 62 PHE HD2 H 1 6.913 0.008 . 3 . . . . 59 Phe HD2 . 17277 1 732 . 1 1 62 62 PHE HE1 H 1 6.728 0.006 . 3 . . . . 59 Phe HE1 . 17277 1 733 . 1 1 62 62 PHE HE2 H 1 6.728 0.006 . 3 . . . . 59 Phe HE2 . 17277 1 734 . 1 1 62 62 PHE HZ H 1 7.369 0.010 . 1 . . . . 59 Phe HZ . 17277 1 735 . 1 1 62 62 PHE C C 13 174.569 0.032 . 1 . . . . 59 Phe C . 17277 1 736 . 1 1 62 62 PHE CA C 13 55.504 0.027 . 1 . . . . 59 Phe CA . 17277 1 737 . 1 1 62 62 PHE CB C 13 43.527 0.032 . 1 . . . . 59 Phe CB . 17277 1 738 . 1 1 62 62 PHE CD1 C 13 132.212 0.050 . 3 . . . . 59 Phe CD1 . 17277 1 739 . 1 1 62 62 PHE CD2 C 13 132.212 0.050 . 3 . . . . 59 Phe CD2 . 17277 1 740 . 1 1 62 62 PHE CE1 C 13 130.368 0.052 . 3 . . . . 59 Phe CE1 . 17277 1 741 . 1 1 62 62 PHE CE2 C 13 130.368 0.052 . 3 . . . . 59 Phe CE2 . 17277 1 742 . 1 1 62 62 PHE CZ C 13 131.607 0.000 . 1 . . . . 59 Phe CZ . 17277 1 743 . 1 1 62 62 PHE N N 15 117.668 0.064 . 1 . . . . 59 Phe N . 17277 1 744 . 1 1 63 63 GLN H H 1 8.062 0.007 . 1 . . . . 60 Gln H . 17277 1 745 . 1 1 63 63 GLN HA H 1 4.734 0.013 . 1 . . . . 60 Gln HA . 17277 1 746 . 1 1 63 63 GLN HB2 H 1 1.821 0.000 . 1 . . . . 60 Gln HB2 . 17277 1 747 . 1 1 63 63 GLN HB3 H 1 1.821 0.000 . 1 . . . . 60 Gln HB3 . 17277 1 748 . 1 1 63 63 GLN HE21 H 1 8.067 0.002 . 1 . . . . 60 Gln HE21 . 17277 1 749 . 1 1 63 63 GLN HE22 H 1 6.486 0.003 . 1 . . . . 60 Gln HE22 . 17277 1 750 . 1 1 63 63 GLN HG2 H 1 2.165 0.005 . 2 . . . . 60 Gln HG2 . 17277 1 751 . 1 1 63 63 GLN HG3 H 1 1.921 0.009 . 2 . . . . 60 Gln HG3 . 17277 1 752 . 1 1 63 63 GLN C C 13 171.723 0.017 . 1 . . . . 60 Gln C . 17277 1 753 . 1 1 63 63 GLN CA C 13 52.832 0.032 . 1 . . . . 60 Gln CA . 17277 1 754 . 1 1 63 63 GLN CB C 13 31.058 0.141 . 1 . . . . 60 Gln CB . 17277 1 755 . 1 1 63 63 GLN CG C 13 32.012 0.007 . 1 . . . . 60 Gln CG . 17277 1 756 . 1 1 63 63 GLN N N 15 125.610 0.040 . 1 . . . . 60 Gln N . 17277 1 757 . 1 1 63 63 GLN NE2 N 15 110.370 0.031 . 1 . . . . 60 Gln NE2 . 17277 1 758 . 1 1 64 64 VAL H H 1 8.287 0.008 . 1 . . . . 61 Val H . 17277 1 759 . 1 1 64 64 VAL HA H 1 4.665 0.006 . 1 . . . . 61 Val HA . 17277 1 760 . 1 1 64 64 VAL HB H 1 1.198 0.009 . 1 . . . . 61 Val HB . 17277 1 761 . 1 1 64 64 VAL HG11 H 1 0.732 0.006 . 2 . . . . 61 Val HG11 . 17277 1 762 . 1 1 64 64 VAL HG12 H 1 0.732 0.006 . 2 . . . . 61 Val HG12 . 17277 1 763 . 1 1 64 64 VAL HG13 H 1 0.732 0.006 . 2 . . . . 61 Val HG13 . 17277 1 764 . 1 1 64 64 VAL HG21 H 1 -0.279 0.006 . 2 . . . . 61 Val HG21 . 17277 1 765 . 1 1 64 64 VAL HG22 H 1 -0.279 0.006 . 2 . . . . 61 Val HG22 . 17277 1 766 . 1 1 64 64 VAL HG23 H 1 -0.279 0.006 . 2 . . . . 61 Val HG23 . 17277 1 767 . 1 1 64 64 VAL C C 13 175.299 0.007 . 1 . . . . 61 Val C . 17277 1 768 . 1 1 64 64 VAL CA C 13 59.963 0.015 . 1 . . . . 61 Val CA . 17277 1 769 . 1 1 64 64 VAL CB C 13 34.009 0.042 . 1 . . . . 61 Val CB . 17277 1 770 . 1 1 64 64 VAL CG1 C 13 22.496 0.018 . 2 . . . . 61 Val CG1 . 17277 1 771 . 1 1 64 64 VAL CG2 C 13 18.874 0.014 . 2 . . . . 61 Val CG2 . 17277 1 772 . 1 1 64 64 VAL N N 15 121.217 0.061 . 1 . . . . 61 Val N . 17277 1 773 . 1 1 65 65 LEU H H 1 8.269 0.004 . 1 . . . . 62 Leu H . 17277 1 774 . 1 1 65 65 LEU HA H 1 4.677 0.006 . 1 . . . . 62 Leu HA . 17277 1 775 . 1 1 65 65 LEU HB2 H 1 1.451 0.008 . 2 . . . . 62 Leu HB2 . 17277 1 776 . 1 1 65 65 LEU HB3 H 1 0.886 0.008 . 2 . . . . 62 Leu HB3 . 17277 1 777 . 1 1 65 65 LEU HD11 H 1 0.827 0.009 . 2 . . . . 62 Leu HD11 . 17277 1 778 . 1 1 65 65 LEU HD12 H 1 0.827 0.009 . 2 . . . . 62 Leu HD12 . 17277 1 779 . 1 1 65 65 LEU HD13 H 1 0.827 0.009 . 2 . . . . 62 Leu HD13 . 17277 1 780 . 1 1 65 65 LEU HD21 H 1 0.618 0.004 . 2 . . . . 62 Leu HD21 . 17277 1 781 . 1 1 65 65 LEU HD22 H 1 0.618 0.004 . 2 . . . . 62 Leu HD22 . 17277 1 782 . 1 1 65 65 LEU HD23 H 1 0.618 0.004 . 2 . . . . 62 Leu HD23 . 17277 1 783 . 1 1 65 65 LEU HG H 1 1.259 0.007 . 1 . . . . 62 Leu HG . 17277 1 784 . 1 1 65 65 LEU C C 13 173.897 0.038 . 1 . . . . 62 Leu C . 17277 1 785 . 1 1 65 65 LEU CA C 13 53.140 0.009 . 1 . . . . 62 Leu CA . 17277 1 786 . 1 1 65 65 LEU CB C 13 43.449 0.029 . 1 . . . . 62 Leu CB . 17277 1 787 . 1 1 65 65 LEU CD1 C 13 22.576 0.055 . 2 . . . . 62 Leu CD1 . 17277 1 788 . 1 1 65 65 LEU CD2 C 13 25.254 0.022 . 2 . . . . 62 Leu CD2 . 17277 1 789 . 1 1 65 65 LEU CG C 13 26.933 0.000 . 1 . . . . 62 Leu CG . 17277 1 790 . 1 1 65 65 LEU N N 15 124.567 0.049 . 1 . . . . 62 Leu N . 17277 1 791 . 1 1 66 66 ALA H H 1 8.867 0.004 . 1 . . . . 63 Ala H . 17277 1 792 . 1 1 66 66 ALA HA H 1 5.147 0.010 . 1 . . . . 63 Ala HA . 17277 1 793 . 1 1 66 66 ALA HB1 H 1 1.235 0.005 . 1 . . . . 63 Ala HB1 . 17277 1 794 . 1 1 66 66 ALA HB2 H 1 1.235 0.005 . 1 . . . . 63 Ala HB2 . 17277 1 795 . 1 1 66 66 ALA HB3 H 1 1.235 0.005 . 1 . . . . 63 Ala HB3 . 17277 1 796 . 1 1 66 66 ALA C C 13 175.917 0.016 . 1 . . . . 63 Ala C . 17277 1 797 . 1 1 66 66 ALA CA C 13 50.535 0.019 . 1 . . . . 63 Ala CA . 17277 1 798 . 1 1 66 66 ALA CB C 13 19.433 0.037 . 1 . . . . 63 Ala CB . 17277 1 799 . 1 1 66 66 ALA N N 15 128.254 0.030 . 1 . . . . 63 Ala N . 17277 1 800 . 1 1 67 67 VAL H H 1 9.095 0.004 . 1 . . . . 64 Val H . 17277 1 801 . 1 1 67 67 VAL HA H 1 4.332 0.006 . 1 . . . . 64 Val HA . 17277 1 802 . 1 1 67 67 VAL HB H 1 1.495 0.007 . 1 . . . . 64 Val HB . 17277 1 803 . 1 1 67 67 VAL HG11 H 1 0.631 0.005 . 2 . . . . 64 Val HG11 . 17277 1 804 . 1 1 67 67 VAL HG12 H 1 0.631 0.005 . 2 . . . . 64 Val HG12 . 17277 1 805 . 1 1 67 67 VAL HG13 H 1 0.631 0.005 . 2 . . . . 64 Val HG13 . 17277 1 806 . 1 1 67 67 VAL HG21 H 1 0.272 0.005 . 2 . . . . 64 Val HG21 . 17277 1 807 . 1 1 67 67 VAL HG22 H 1 0.272 0.005 . 2 . . . . 64 Val HG22 . 17277 1 808 . 1 1 67 67 VAL HG23 H 1 0.272 0.005 . 2 . . . . 64 Val HG23 . 17277 1 809 . 1 1 67 67 VAL C C 13 174.333 0.034 . 1 . . . . 64 Val C . 17277 1 810 . 1 1 67 67 VAL CA C 13 62.390 0.014 . 1 . . . . 64 Val CA . 17277 1 811 . 1 1 67 67 VAL CB C 13 30.960 0.049 . 1 . . . . 64 Val CB . 17277 1 812 . 1 1 67 67 VAL CG1 C 13 22.983 0.025 . 2 . . . . 64 Val CG1 . 17277 1 813 . 1 1 67 67 VAL CG2 C 13 20.359 0.026 . 2 . . . . 64 Val CG2 . 17277 1 814 . 1 1 67 67 VAL N N 15 129.219 0.048 . 1 . . . . 64 Val N . 17277 1 815 . 1 1 68 68 ALA H H 1 9.289 0.006 . 1 . . . . 65 Ala H . 17277 1 816 . 1 1 68 68 ALA HA H 1 3.997 0.008 . 1 . . . . 65 Ala HA . 17277 1 817 . 1 1 68 68 ALA HB1 H 1 0.947 0.008 . 1 . . . . 65 Ala HB1 . 17277 1 818 . 1 1 68 68 ALA HB2 H 1 0.947 0.008 . 1 . . . . 65 Ala HB2 . 17277 1 819 . 1 1 68 68 ALA HB3 H 1 0.947 0.008 . 1 . . . . 65 Ala HB3 . 17277 1 820 . 1 1 68 68 ALA C C 13 176.890 0.018 . 1 . . . . 65 Ala C . 17277 1 821 . 1 1 68 68 ALA CA C 13 50.125 0.033 . 1 . . . . 65 Ala CA . 17277 1 822 . 1 1 68 68 ALA CB C 13 19.525 0.030 . 1 . . . . 65 Ala CB . 17277 1 823 . 1 1 68 68 ALA N N 15 132.143 0.037 . 1 . . . . 65 Ala N . 17277 1 824 . 1 1 69 69 GLN H H 1 8.573 0.005 . 1 . . . . 66 Gln H . 17277 1 825 . 1 1 69 69 GLN HA H 1 4.266 0.011 . 1 . . . . 66 Gln HA . 17277 1 826 . 1 1 69 69 GLN HB2 H 1 1.693 0.007 . 2 . . . . 66 Gln HB2 . 17277 1 827 . 1 1 69 69 GLN HB3 H 1 1.234 0.013 . 2 . . . . 66 Gln HB3 . 17277 1 828 . 1 1 69 69 GLN HE21 H 1 9.278 0.007 . 1 . . . . 66 Gln HE21 . 17277 1 829 . 1 1 69 69 GLN HE22 H 1 5.624 0.009 . 1 . . . . 66 Gln HE22 . 17277 1 830 . 1 1 69 69 GLN HG2 H 1 2.091 0.008 . 2 . . . . 66 Gln HG2 . 17277 1 831 . 1 1 69 69 GLN HG3 H 1 1.402 0.007 . 2 . . . . 66 Gln HG3 . 17277 1 832 . 1 1 69 69 GLN C C 13 175.502 0.000 . 1 . . . . 66 Gln C . 17277 1 833 . 1 1 69 69 GLN CA C 13 51.299 0.018 . 1 . . . . 66 Gln CA . 17277 1 834 . 1 1 69 69 GLN CB C 13 29.186 0.055 . 1 . . . . 66 Gln CB . 17277 1 835 . 1 1 69 69 GLN CG C 13 34.447 0.012 . 1 . . . . 66 Gln CG . 17277 1 836 . 1 1 69 69 GLN N N 15 120.845 0.023 . 1 . . . . 66 Gln N . 17277 1 837 . 1 1 69 69 GLN NE2 N 15 114.803 0.031 . 1 . . . . 66 Gln NE2 . 17277 1 838 . 1 1 70 70 PRO HA H 1 4.331 0.008 . 1 . . . . 67 Pro HA . 17277 1 839 . 1 1 70 70 PRO HB2 H 1 0.990 0.002 . 2 . . . . 67 Pro HB2 . 17277 1 840 . 1 1 70 70 PRO HB3 H 1 2.388 0.000 . 2 . . . . 67 Pro HB3 . 17277 1 841 . 1 1 70 70 PRO HD2 H 1 3.452 0.005 . 2 . . . . 67 Pro HD2 . 17277 1 842 . 1 1 70 70 PRO HD3 H 1 3.072 0.003 . 2 . . . . 67 Pro HD3 . 17277 1 843 . 1 1 70 70 PRO HG2 H 1 1.953 0.005 . 2 . . . . 67 Pro HG2 . 17277 1 844 . 1 1 70 70 PRO HG3 H 1 1.445 0.009 . 2 . . . . 67 Pro HG3 . 17277 1 845 . 1 1 70 70 PRO C C 13 175.198 0.000 . 1 . . . . 67 Pro C . 17277 1 846 . 1 1 70 70 PRO CA C 13 64.569 0.045 . 1 . . . . 67 Pro CA . 17277 1 847 . 1 1 70 70 PRO CB C 13 29.018 0.029 . 1 . . . . 67 Pro CB . 17277 1 848 . 1 1 70 70 PRO CD C 13 49.586 0.010 . 1 . . . . 67 Pro CD . 17277 1 849 . 1 1 70 70 PRO CG C 13 27.571 0.001 . 1 . . . . 67 Pro CG . 17277 1 850 . 1 1 71 71 ILE H H 1 6.901 0.005 . 1 . . . . 68 Ile H . 17277 1 851 . 1 1 71 71 ILE HA H 1 3.476 0.004 . 1 . . . . 68 Ile HA . 17277 1 852 . 1 1 71 71 ILE HB H 1 0.412 0.007 . 1 . . . . 68 Ile HB . 17277 1 853 . 1 1 71 71 ILE HD11 H 1 0.098 0.007 . 1 . . . . 68 Ile HD11 . 17277 1 854 . 1 1 71 71 ILE HD12 H 1 0.098 0.007 . 1 . . . . 68 Ile HD12 . 17277 1 855 . 1 1 71 71 ILE HD13 H 1 0.098 0.007 . 1 . . . . 68 Ile HD13 . 17277 1 856 . 1 1 71 71 ILE HG12 H 1 0.359 0.002 . 2 . . . . 68 Ile HG12 . 17277 1 857 . 1 1 71 71 ILE HG13 H 1 0.194 0.006 . 2 . . . . 68 Ile HG13 . 17277 1 858 . 1 1 71 71 ILE HG21 H 1 0.421 0.009 . 1 . . . . 68 Ile HG21 . 17277 1 859 . 1 1 71 71 ILE HG22 H 1 0.421 0.009 . 1 . . . . 68 Ile HG22 . 17277 1 860 . 1 1 71 71 ILE HG23 H 1 0.421 0.009 . 1 . . . . 68 Ile HG23 . 17277 1 861 . 1 1 71 71 ILE C C 13 175.945 0.000 . 1 . . . . 68 Ile C . 17277 1 862 . 1 1 71 71 ILE CA C 13 62.170 0.016 . 1 . . . . 68 Ile CA . 17277 1 863 . 1 1 71 71 ILE CB C 13 38.342 0.093 . 1 . . . . 68 Ile CB . 17277 1 864 . 1 1 71 71 ILE CD1 C 13 10.958 0.013 . 1 . . . . 68 Ile CD1 . 17277 1 865 . 1 1 71 71 ILE CG1 C 13 28.085 0.010 . 1 . . . . 68 Ile CG1 . 17277 1 866 . 1 1 71 71 ILE CG2 C 13 17.617 0.017 . 1 . . . . 68 Ile CG2 . 17277 1 867 . 1 1 71 71 ILE N N 15 124.727 0.029 . 1 . . . . 68 Ile N . 17277 1 868 . 1 1 72 72 ASP H H 1 6.860 0.009 . 1 . . . . 69 Asp H . 17277 1 869 . 1 1 72 72 ASP HA H 1 5.210 0.008 . 1 . . . . 69 Asp HA . 17277 1 870 . 1 1 72 72 ASP HB2 H 1 2.751 0.009 . 2 . . . . 69 Asp HB2 . 17277 1 871 . 1 1 72 72 ASP HB3 H 1 2.250 0.006 . 2 . . . . 69 Asp HB3 . 17277 1 872 . 1 1 72 72 ASP C C 13 173.931 0.000 . 1 . . . . 69 Asp C . 17277 1 873 . 1 1 72 72 ASP CA C 13 51.133 0.015 . 1 . . . . 69 Asp CA . 17277 1 874 . 1 1 72 72 ASP CB C 13 42.225 0.020 . 1 . . . . 69 Asp CB . 17277 1 875 . 1 1 72 72 ASP N N 15 115.205 0.036 . 1 . . . . 69 Asp N . 17277 1 876 . 1 1 73 73 PRO HA H 1 4.652 0.005 . 1 . . . . 70 Pro HA . 17277 1 877 . 1 1 73 73 PRO HB2 H 1 2.530 0.006 . 2 . . . . 70 Pro HB2 . 17277 1 878 . 1 1 73 73 PRO HB3 H 1 2.234 0.009 . 2 . . . . 70 Pro HB3 . 17277 1 879 . 1 1 73 73 PRO HD2 H 1 3.996 0.005 . 2 . . . . 70 Pro HD2 . 17277 1 880 . 1 1 73 73 PRO HD3 H 1 3.796 0.005 . 2 . . . . 70 Pro HD3 . 17277 1 881 . 1 1 73 73 PRO HG2 H 1 2.206 0.007 . 2 . . . . 70 Pro HG2 . 17277 1 882 . 1 1 73 73 PRO HG3 H 1 2.092 0.005 . 2 . . . . 70 Pro HG3 . 17277 1 883 . 1 1 73 73 PRO C C 13 177.609 0.027 . 1 . . . . 70 Pro C . 17277 1 884 . 1 1 73 73 PRO CA C 13 62.410 0.013 . 1 . . . . 70 Pro CA . 17277 1 885 . 1 1 73 73 PRO CB C 13 32.987 0.020 . 1 . . . . 70 Pro CB . 17277 1 886 . 1 1 73 73 PRO CD C 13 50.807 0.005 . 1 . . . . 70 Pro CD . 17277 1 887 . 1 1 73 73 PRO CG C 13 27.655 0.001 . 1 . . . . 70 Pro CG . 17277 1 888 . 1 1 74 74 ILE H H 1 8.971 0.005 . 1 . . . . 71 Ile H . 17277 1 889 . 1 1 74 74 ILE HA H 1 3.214 0.006 . 1 . . . . 71 Ile HA . 17277 1 890 . 1 1 74 74 ILE HB H 1 0.625 0.006 . 1 . . . . 71 Ile HB . 17277 1 891 . 1 1 74 74 ILE HD11 H 1 0.614 0.007 . 1 . . . . 71 Ile HD11 . 17277 1 892 . 1 1 74 74 ILE HD12 H 1 0.614 0.007 . 1 . . . . 71 Ile HD12 . 17277 1 893 . 1 1 74 74 ILE HD13 H 1 0.614 0.007 . 1 . . . . 71 Ile HD13 . 17277 1 894 . 1 1 74 74 ILE HG12 H 1 0.917 0.004 . 2 . . . . 71 Ile HG12 . 17277 1 895 . 1 1 74 74 ILE HG13 H 1 0.652 0.009 . 2 . . . . 71 Ile HG13 . 17277 1 896 . 1 1 74 74 ILE HG21 H 1 0.757 0.005 . 1 . . . . 71 Ile HG21 . 17277 1 897 . 1 1 74 74 ILE HG22 H 1 0.757 0.005 . 1 . . . . 71 Ile HG22 . 17277 1 898 . 1 1 74 74 ILE HG23 H 1 0.757 0.005 . 1 . . . . 71 Ile HG23 . 17277 1 899 . 1 1 74 74 ILE C C 13 176.797 0.008 . 1 . . . . 71 Ile C . 17277 1 900 . 1 1 74 74 ILE CA C 13 65.069 0.020 . 1 . . . . 71 Ile CA . 17277 1 901 . 1 1 74 74 ILE CB C 13 37.354 0.032 . 1 . . . . 71 Ile CB . 17277 1 902 . 1 1 74 74 ILE CD1 C 13 13.723 0.005 . 1 . . . . 71 Ile CD1 . 17277 1 903 . 1 1 74 74 ILE CG1 C 13 30.102 0.008 . 1 . . . . 71 Ile CG1 . 17277 1 904 . 1 1 74 74 ILE CG2 C 13 16.188 0.026 . 1 . . . . 71 Ile CG2 . 17277 1 905 . 1 1 74 74 ILE N N 15 124.509 0.040 . 1 . . . . 71 Ile N . 17277 1 906 . 1 1 75 75 GLU H H 1 9.293 0.005 . 1 . . . . 72 Glu H . 17277 1 907 . 1 1 75 75 GLU HA H 1 3.977 0.006 . 1 . . . . 72 Glu HA . 17277 1 908 . 1 1 75 75 GLU HB2 H 1 2.040 0.009 . 1 . . . . 72 Glu HB2 . 17277 1 909 . 1 1 75 75 GLU HB3 H 1 2.040 0.009 . 1 . . . . 72 Glu HB3 . 17277 1 910 . 1 1 75 75 GLU HG2 H 1 2.521 0.005 . 2 . . . . 72 Glu HG2 . 17277 1 911 . 1 1 75 75 GLU HG3 H 1 2.317 0.001 . 2 . . . . 72 Glu HG3 . 17277 1 912 . 1 1 75 75 GLU C C 13 179.669 0.001 . 1 . . . . 72 Glu C . 17277 1 913 . 1 1 75 75 GLU CA C 13 60.925 0.024 . 1 . . . . 72 Glu CA . 17277 1 914 . 1 1 75 75 GLU CB C 13 28.307 0.160 . 1 . . . . 72 Glu CB . 17277 1 915 . 1 1 75 75 GLU CG C 13 36.709 0.014 . 1 . . . . 72 Glu CG . 17277 1 916 . 1 1 75 75 GLU N N 15 122.236 0.053 . 1 . . . . 72 Glu N . 17277 1 917 . 1 1 76 76 SER H H 1 7.398 0.007 . 1 . . . . 73 Ser H . 17277 1 918 . 1 1 76 76 SER HA H 1 4.498 0.003 . 1 . . . . 73 Ser HA . 17277 1 919 . 1 1 76 76 SER HB2 H 1 4.101 0.016 . 2 . . . . 73 Ser HB2 . 17277 1 920 . 1 1 76 76 SER HB3 H 1 4.048 0.012 . 2 . . . . 73 Ser HB3 . 17277 1 921 . 1 1 76 76 SER C C 13 177.351 0.000 . 1 . . . . 73 Ser C . 17277 1 922 . 1 1 76 76 SER CA C 13 61.063 0.051 . 1 . . . . 73 Ser CA . 17277 1 923 . 1 1 76 76 SER CB C 13 62.615 0.014 . 1 . . . . 73 Ser CB . 17277 1 924 . 1 1 76 76 SER N N 15 114.807 0.025 . 1 . . . . 73 Ser N . 17277 1 925 . 1 1 77 77 VAL H H 1 7.440 0.005 . 1 . . . . 74 Val H . 17277 1 926 . 1 1 77 77 VAL HA H 1 3.693 0.010 . 1 . . . . 74 Val HA . 17277 1 927 . 1 1 77 77 VAL HB H 1 2.383 0.010 . 1 . . . . 74 Val HB . 17277 1 928 . 1 1 77 77 VAL HG11 H 1 1.068 0.009 . 2 . . . . 74 Val HG11 . 17277 1 929 . 1 1 77 77 VAL HG12 H 1 1.068 0.009 . 2 . . . . 74 Val HG12 . 17277 1 930 . 1 1 77 77 VAL HG13 H 1 1.068 0.009 . 2 . . . . 74 Val HG13 . 17277 1 931 . 1 1 77 77 VAL HG21 H 1 0.811 0.005 . 2 . . . . 74 Val HG21 . 17277 1 932 . 1 1 77 77 VAL HG22 H 1 0.811 0.005 . 2 . . . . 74 Val HG22 . 17277 1 933 . 1 1 77 77 VAL HG23 H 1 0.811 0.005 . 2 . . . . 74 Val HG23 . 17277 1 934 . 1 1 77 77 VAL C C 13 177.096 0.023 . 1 . . . . 74 Val C . 17277 1 935 . 1 1 77 77 VAL CA C 13 67.049 0.028 . 1 . . . . 74 Val CA . 17277 1 936 . 1 1 77 77 VAL CB C 13 31.299 0.046 . 1 . . . . 74 Val CB . 17277 1 937 . 1 1 77 77 VAL CG1 C 13 21.984 0.066 . 2 . . . . 74 Val CG1 . 17277 1 938 . 1 1 77 77 VAL CG2 C 13 23.546 0.021 . 2 . . . . 74 Val CG2 . 17277 1 939 . 1 1 77 77 VAL N N 15 123.869 0.069 . 1 . . . . 74 Val N . 17277 1 940 . 1 1 78 78 ARG H H 1 8.599 0.003 . 1 . . . . 75 Arg H . 17277 1 941 . 1 1 78 78 ARG HA H 1 3.882 0.005 . 1 . . . . 75 Arg HA . 17277 1 942 . 1 1 78 78 ARG HB2 H 1 1.868 0.006 . 1 . . . . 75 Arg HB2 . 17277 1 943 . 1 1 78 78 ARG HB3 H 1 1.868 0.006 . 1 . . . . 75 Arg HB3 . 17277 1 944 . 1 1 78 78 ARG HD2 H 1 3.244 0.013 . 2 . . . . 75 Arg HD2 . 17277 1 945 . 1 1 78 78 ARG HD3 H 1 3.161 0.004 . 2 . . . . 75 Arg HD3 . 17277 1 946 . 1 1 78 78 ARG HG2 H 1 1.628 0.006 . 1 . . . . 75 Arg HG2 . 17277 1 947 . 1 1 78 78 ARG HG3 H 1 1.628 0.006 . 1 . . . . 75 Arg HG3 . 17277 1 948 . 1 1 78 78 ARG C C 13 179.399 0.026 . 1 . . . . 75 Arg C . 17277 1 949 . 1 1 78 78 ARG CA C 13 60.779 0.014 . 1 . . . . 75 Arg CA . 17277 1 950 . 1 1 78 78 ARG CB C 13 30.279 0.106 . 1 . . . . 75 Arg CB . 17277 1 951 . 1 1 78 78 ARG CD C 13 43.338 0.017 . 1 . . . . 75 Arg CD . 17277 1 952 . 1 1 78 78 ARG CG C 13 27.993 0.000 . 1 . . . . 75 Arg CG . 17277 1 953 . 1 1 78 78 ARG N N 15 117.994 0.041 . 1 . . . . 75 Arg N . 17277 1 954 . 1 1 79 79 GLN H H 1 7.956 0.006 . 1 . . . . 76 Gln H . 17277 1 955 . 1 1 79 79 GLN HA H 1 3.958 0.007 . 1 . . . . 76 Gln HA . 17277 1 956 . 1 1 79 79 GLN HB2 H 1 2.345 0.008 . 2 . . . . 76 Gln HB2 . 17277 1 957 . 1 1 79 79 GLN HB3 H 1 2.207 0.015 . 2 . . . . 76 Gln HB3 . 17277 1 958 . 1 1 79 79 GLN HE21 H 1 8.209 0.001 . 1 . . . . 76 Gln HE21 . 17277 1 959 . 1 1 79 79 GLN HE22 H 1 6.895 0.004 . 1 . . . . 76 Gln HE22 . 17277 1 960 . 1 1 79 79 GLN HG2 H 1 2.564 0.017 . 2 . . . . 76 Gln HG2 . 17277 1 961 . 1 1 79 79 GLN HG3 H 1 2.528 0.016 . 2 . . . . 76 Gln HG3 . 17277 1 962 . 1 1 79 79 GLN C C 13 176.577 0.011 . 1 . . . . 76 Gln C . 17277 1 963 . 1 1 79 79 GLN CA C 13 58.542 0.017 . 1 . . . . 76 Gln CA . 17277 1 964 . 1 1 79 79 GLN CB C 13 28.398 0.095 . 1 . . . . 76 Gln CB . 17277 1 965 . 1 1 79 79 GLN CG C 13 33.107 0.002 . 1 . . . . 76 Gln CG . 17277 1 966 . 1 1 79 79 GLN N N 15 118.910 0.037 . 1 . . . . 76 Gln N . 17277 1 967 . 1 1 79 79 GLN NE2 N 15 116.141 0.016 . 1 . . . . 76 Gln NE2 . 17277 1 968 . 1 1 80 80 TYR H H 1 8.262 0.005 . 1 . . . . 77 Tyr H . 17277 1 969 . 1 1 80 80 TYR HA H 1 4.451 0.006 . 1 . . . . 77 Tyr HA . 17277 1 970 . 1 1 80 80 TYR HB2 H 1 3.689 0.007 . 2 . . . . 77 Tyr HB2 . 17277 1 971 . 1 1 80 80 TYR HB3 H 1 3.427 0.008 . 2 . . . . 77 Tyr HB3 . 17277 1 972 . 1 1 80 80 TYR HD1 H 1 7.122 0.009 . 3 . . . . 77 Tyr HD1 . 17277 1 973 . 1 1 80 80 TYR HD2 H 1 7.122 0.009 . 3 . . . . 77 Tyr HD2 . 17277 1 974 . 1 1 80 80 TYR HE1 H 1 6.578 0.004 . 3 . . . . 77 Tyr HE1 . 17277 1 975 . 1 1 80 80 TYR HE2 H 1 6.578 0.004 . 3 . . . . 77 Tyr HE2 . 17277 1 976 . 1 1 80 80 TYR C C 13 178.062 0.000 . 1 . . . . 77 Tyr C . 17277 1 977 . 1 1 80 80 TYR CA C 13 61.975 0.051 . 1 . . . . 77 Tyr CA . 17277 1 978 . 1 1 80 80 TYR CB C 13 39.616 0.040 . 1 . . . . 77 Tyr CB . 17277 1 979 . 1 1 80 80 TYR CD1 C 13 133.844 0.068 . 3 . . . . 77 Tyr CD1 . 17277 1 980 . 1 1 80 80 TYR CD2 C 13 133.844 0.068 . 3 . . . . 77 Tyr CD2 . 17277 1 981 . 1 1 80 80 TYR CE1 C 13 118.454 0.062 . 3 . . . . 77 Tyr CE1 . 17277 1 982 . 1 1 80 80 TYR CE2 C 13 118.454 0.062 . 3 . . . . 77 Tyr CE2 . 17277 1 983 . 1 1 80 80 TYR N N 15 122.422 0.057 . 1 . . . . 77 Tyr N . 17277 1 984 . 1 1 81 81 VAL H H 1 8.441 0.007 . 1 . . . . 78 Val H . 17277 1 985 . 1 1 81 81 VAL HA H 1 3.628 0.006 . 1 . . . . 78 Val HA . 17277 1 986 . 1 1 81 81 VAL HB H 1 2.387 0.010 . 1 . . . . 78 Val HB . 17277 1 987 . 1 1 81 81 VAL HG11 H 1 1.115 0.007 . 2 . . . . 78 Val HG11 . 17277 1 988 . 1 1 81 81 VAL HG12 H 1 1.115 0.007 . 2 . . . . 78 Val HG12 . 17277 1 989 . 1 1 81 81 VAL HG13 H 1 1.115 0.007 . 2 . . . . 78 Val HG13 . 17277 1 990 . 1 1 81 81 VAL HG21 H 1 1.443 0.004 . 2 . . . . 78 Val HG21 . 17277 1 991 . 1 1 81 81 VAL HG22 H 1 1.443 0.004 . 2 . . . . 78 Val HG22 . 17277 1 992 . 1 1 81 81 VAL HG23 H 1 1.443 0.004 . 2 . . . . 78 Val HG23 . 17277 1 993 . 1 1 81 81 VAL C C 13 178.191 0.043 . 1 . . . . 78 Val C . 17277 1 994 . 1 1 81 81 VAL CA C 13 67.453 0.018 . 1 . . . . 78 Val CA . 17277 1 995 . 1 1 81 81 VAL CB C 13 32.128 0.049 . 1 . . . . 78 Val CB . 17277 1 996 . 1 1 81 81 VAL CG1 C 13 21.202 0.012 . 2 . . . . 78 Val CG1 . 17277 1 997 . 1 1 81 81 VAL CG2 C 13 24.659 0.008 . 2 . . . . 78 Val CG2 . 17277 1 998 . 1 1 81 81 VAL N N 15 117.184 0.044 . 1 . . . . 78 Val N . 17277 1 999 . 1 1 82 82 LYS H H 1 7.362 0.004 . 1 . . . . 79 Lys H . 17277 1 1000 . 1 1 82 82 LYS HA H 1 4.141 0.009 . 1 . . . . 79 Lys HA . 17277 1 1001 . 1 1 82 82 LYS HB2 H 1 1.973 0.010 . 2 . . . . 79 Lys HB2 . 17277 1 1002 . 1 1 82 82 LYS HB3 H 1 1.823 0.000 . 2 . . . . 79 Lys HB3 . 17277 1 1003 . 1 1 82 82 LYS HD2 H 1 1.725 0.021 . 1 . . . . 79 Lys HD2 . 17277 1 1004 . 1 1 82 82 LYS HD3 H 1 1.725 0.021 . 1 . . . . 79 Lys HD3 . 17277 1 1005 . 1 1 82 82 LYS HE2 H 1 3.062 0.000 . 1 . . . . 79 Lys HE2 . 17277 1 1006 . 1 1 82 82 LYS HE3 H 1 3.062 0.000 . 1 . . . . 79 Lys HE3 . 17277 1 1007 . 1 1 82 82 LYS HG2 H 1 1.519 0.000 . 1 . . . . 79 Lys HG2 . 17277 1 1008 . 1 1 82 82 LYS HG3 H 1 1.519 0.000 . 1 . . . . 79 Lys HG3 . 17277 1 1009 . 1 1 82 82 LYS C C 13 179.135 0.007 . 1 . . . . 79 Lys C . 17277 1 1010 . 1 1 82 82 LYS CA C 13 59.039 0.066 . 1 . . . . 79 Lys CA . 17277 1 1011 . 1 1 82 82 LYS CB C 13 32.433 0.091 . 1 . . . . 79 Lys CB . 17277 1 1012 . 1 1 82 82 LYS CD C 13 28.975 0.000 . 1 . . . . 79 Lys CD . 17277 1 1013 . 1 1 82 82 LYS CE C 13 42.046 0.000 . 1 . . . . 79 Lys CE . 17277 1 1014 . 1 1 82 82 LYS CG C 13 24.851 0.000 . 1 . . . . 79 Lys CG . 17277 1 1015 . 1 1 82 82 LYS N N 15 118.236 0.058 . 1 . . . . 79 Lys N . 17277 1 1016 . 1 1 83 83 ASP H H 1 9.120 0.007 . 1 . . . . 80 Asp H . 17277 1 1017 . 1 1 83 83 ASP HA H 1 4.143 0.006 . 1 . . . . 80 Asp HA . 17277 1 1018 . 1 1 83 83 ASP HB2 H 1 2.485 0.008 . 2 . . . . 80 Asp HB2 . 17277 1 1019 . 1 1 83 83 ASP HB3 H 1 2.013 0.008 . 2 . . . . 80 Asp HB3 . 17277 1 1020 . 1 1 83 83 ASP C C 13 178.271 0.000 . 1 . . . . 80 Asp C . 17277 1 1021 . 1 1 83 83 ASP CA C 13 57.446 0.091 . 1 . . . . 80 Asp CA . 17277 1 1022 . 1 1 83 83 ASP CB C 13 40.189 0.022 . 1 . . . . 80 Asp CB . 17277 1 1023 . 1 1 83 83 ASP N N 15 121.399 0.056 . 1 . . . . 80 Asp N . 17277 1 1024 . 1 1 84 84 TYR H H 1 8.196 0.005 . 1 . . . . 81 Tyr H . 17277 1 1025 . 1 1 84 84 TYR HA H 1 4.299 0.004 . 1 . . . . 81 Tyr HA . 17277 1 1026 . 1 1 84 84 TYR HB2 H 1 2.270 0.006 . 2 . . . . 81 Tyr HB2 . 17277 1 1027 . 1 1 84 84 TYR HB3 H 1 2.856 0.006 . 2 . . . . 81 Tyr HB3 . 17277 1 1028 . 1 1 84 84 TYR HD1 H 1 6.617 0.005 . 3 . . . . 81 Tyr HD1 . 17277 1 1029 . 1 1 84 84 TYR HD2 H 1 6.617 0.005 . 3 . . . . 81 Tyr HD2 . 17277 1 1030 . 1 1 84 84 TYR HE1 H 1 6.617 0.006 . 3 . . . . 81 Tyr HE1 . 17277 1 1031 . 1 1 84 84 TYR HE2 H 1 6.617 0.006 . 3 . . . . 81 Tyr HE2 . 17277 1 1032 . 1 1 84 84 TYR C C 13 175.876 0.002 . 1 . . . . 81 Tyr C . 17277 1 1033 . 1 1 84 84 TYR CA C 13 58.482 0.054 . 1 . . . . 81 Tyr CA . 17277 1 1034 . 1 1 84 84 TYR CB C 13 37.688 0.024 . 1 . . . . 81 Tyr CB . 17277 1 1035 . 1 1 84 84 TYR CD1 C 13 132.946 0.030 . 3 . . . . 81 Tyr CD1 . 17277 1 1036 . 1 1 84 84 TYR CD2 C 13 132.946 0.030 . 3 . . . . 81 Tyr CD2 . 17277 1 1037 . 1 1 84 84 TYR CE1 C 13 118.114 0.045 . 3 . . . . 81 Tyr CE1 . 17277 1 1038 . 1 1 84 84 TYR CE2 C 13 118.114 0.045 . 3 . . . . 81 Tyr CE2 . 17277 1 1039 . 1 1 84 84 TYR N N 15 114.206 0.040 . 1 . . . . 81 Tyr N . 17277 1 1040 . 1 1 85 85 GLY H H 1 7.446 0.004 . 1 . . . . 82 Gly H . 17277 1 1041 . 1 1 85 85 GLY HA2 H 1 3.880 0.002 . 2 . . . . 82 Gly HA2 . 17277 1 1042 . 1 1 85 85 GLY HA3 H 1 3.673 0.009 . 2 . . . . 82 Gly HA3 . 17277 1 1043 . 1 1 85 85 GLY C C 13 175.733 0.034 . 1 . . . . 82 Gly C . 17277 1 1044 . 1 1 85 85 GLY CA C 13 47.280 0.071 . 1 . . . . 82 Gly CA . 17277 1 1045 . 1 1 85 85 GLY N N 15 110.246 0.063 . 1 . . . . 82 Gly N . 17277 1 1046 . 1 1 86 86 LEU H H 1 7.534 0.003 . 1 . . . . 83 Leu H . 17277 1 1047 . 1 1 86 86 LEU HA H 1 3.706 0.009 . 1 . . . . 83 Leu HA . 17277 1 1048 . 1 1 86 86 LEU HB2 H 1 1.553 0.011 . 2 . . . . 83 Leu HB2 . 17277 1 1049 . 1 1 86 86 LEU HB3 H 1 0.601 0.004 . 2 . . . . 83 Leu HB3 . 17277 1 1050 . 1 1 86 86 LEU HD11 H 1 0.855 0.005 . 2 . . . . 83 Leu HD11 . 17277 1 1051 . 1 1 86 86 LEU HD12 H 1 0.855 0.005 . 2 . . . . 83 Leu HD12 . 17277 1 1052 . 1 1 86 86 LEU HD13 H 1 0.855 0.005 . 2 . . . . 83 Leu HD13 . 17277 1 1053 . 1 1 86 86 LEU HD21 H 1 0.721 0.006 . 2 . . . . 83 Leu HD21 . 17277 1 1054 . 1 1 86 86 LEU HD22 H 1 0.721 0.006 . 2 . . . . 83 Leu HD22 . 17277 1 1055 . 1 1 86 86 LEU HD23 H 1 0.721 0.006 . 2 . . . . 83 Leu HD23 . 17277 1 1056 . 1 1 86 86 LEU CA C 13 53.854 0.018 . 1 . . . . 83 Leu CA . 17277 1 1057 . 1 1 86 86 LEU CB C 13 40.270 0.021 . 1 . . . . 83 Leu CB . 17277 1 1058 . 1 1 86 86 LEU CD1 C 13 25.164 0.021 . 2 . . . . 83 Leu CD1 . 17277 1 1059 . 1 1 86 86 LEU CD2 C 13 24.421 0.021 . 2 . . . . 83 Leu CD2 . 17277 1 1060 . 1 1 86 86 LEU N N 15 118.714 0.026 . 1 . . . . 83 Leu N . 17277 1 1061 . 1 1 87 87 PRO HA H 1 4.698 0.003 . 1 . . . . 84 Pro HA . 17277 1 1062 . 1 1 87 87 PRO HB2 H 1 2.255 0.000 . 2 . . . . 84 Pro HB2 . 17277 1 1063 . 1 1 87 87 PRO HB3 H 1 2.006 0.007 . 2 . . . . 84 Pro HB3 . 17277 1 1064 . 1 1 87 87 PRO HD2 H 1 4.054 0.007 . 2 . . . . 84 Pro HD2 . 17277 1 1065 . 1 1 87 87 PRO HD3 H 1 2.717 0.006 . 2 . . . . 84 Pro HD3 . 17277 1 1066 . 1 1 87 87 PRO HG2 H 1 2.230 0.011 . 2 . . . . 84 Pro HG2 . 17277 1 1067 . 1 1 87 87 PRO HG3 H 1 1.792 0.008 . 2 . . . . 84 Pro HG3 . 17277 1 1068 . 1 1 87 87 PRO C C 13 175.076 0.000 . 1 . . . . 84 Pro C . 17277 1 1069 . 1 1 87 87 PRO CA C 13 63.412 0.030 . 1 . . . . 84 Pro CA . 17277 1 1070 . 1 1 87 87 PRO CB C 13 31.305 0.021 . 1 . . . . 84 Pro CB . 17277 1 1071 . 1 1 87 87 PRO CD C 13 50.400 0.015 . 1 . . . . 84 Pro CD . 17277 1 1072 . 1 1 87 87 PRO CG C 13 25.949 0.019 . 1 . . . . 84 Pro CG . 17277 1 1073 . 1 1 88 88 PHE H H 1 5.773 0.008 . 1 . . . . 85 Phe H . 17277 1 1074 . 1 1 88 88 PHE HA H 1 5.099 0.005 . 1 . . . . 85 Phe HA . 17277 1 1075 . 1 1 88 88 PHE HB2 H 1 3.710 0.008 . 2 . . . . 85 Phe HB2 . 17277 1 1076 . 1 1 88 88 PHE HB3 H 1 3.288 0.007 . 2 . . . . 85 Phe HB3 . 17277 1 1077 . 1 1 88 88 PHE HD1 H 1 6.952 0.008 . 3 . . . . 85 Phe HD1 . 17277 1 1078 . 1 1 88 88 PHE HD2 H 1 6.952 0.008 . 3 . . . . 85 Phe HD2 . 17277 1 1079 . 1 1 88 88 PHE HE1 H 1 7.362 0.003 . 3 . . . . 85 Phe HE1 . 17277 1 1080 . 1 1 88 88 PHE HE2 H 1 7.362 0.003 . 3 . . . . 85 Phe HE2 . 17277 1 1081 . 1 1 88 88 PHE C C 13 174.764 0.032 . 1 . . . . 85 Phe C . 17277 1 1082 . 1 1 88 88 PHE CA C 13 52.586 0.030 . 1 . . . . 85 Phe CA . 17277 1 1083 . 1 1 88 88 PHE CB C 13 41.131 0.038 . 1 . . . . 85 Phe CB . 17277 1 1084 . 1 1 88 88 PHE CD1 C 13 132.290 0.084 . 3 . . . . 85 Phe CD1 . 17277 1 1085 . 1 1 88 88 PHE CD2 C 13 132.290 0.084 . 3 . . . . 85 Phe CD2 . 17277 1 1086 . 1 1 88 88 PHE CE1 C 13 130.841 0.000 . 3 . . . . 85 Phe CE1 . 17277 1 1087 . 1 1 88 88 PHE CE2 C 13 130.841 0.000 . 3 . . . . 85 Phe CE2 . 17277 1 1088 . 1 1 88 88 PHE N N 15 116.264 0.048 . 1 . . . . 85 Phe N . 17277 1 1089 . 1 1 89 89 THR H H 1 8.533 0.006 . 1 . . . . 86 Thr H . 17277 1 1090 . 1 1 89 89 THR HA H 1 4.316 0.008 . 1 . . . . 86 Thr HA . 17277 1 1091 . 1 1 89 89 THR HB H 1 4.270 0.005 . 1 . . . . 86 Thr HB . 17277 1 1092 . 1 1 89 89 THR HG21 H 1 1.483 0.005 . 1 . . . . 86 Thr HG21 . 17277 1 1093 . 1 1 89 89 THR HG22 H 1 1.483 0.005 . 1 . . . . 86 Thr HG22 . 17277 1 1094 . 1 1 89 89 THR HG23 H 1 1.483 0.005 . 1 . . . . 86 Thr HG23 . 17277 1 1095 . 1 1 89 89 THR C C 13 172.545 0.000 . 1 . . . . 86 Thr C . 17277 1 1096 . 1 1 89 89 THR CA C 13 64.924 0.027 . 1 . . . . 86 Thr CA . 17277 1 1097 . 1 1 89 89 THR CB C 13 69.976 0.018 . 1 . . . . 86 Thr CB . 17277 1 1098 . 1 1 89 89 THR CG2 C 13 23.410 0.017 . 1 . . . . 86 Thr CG2 . 17277 1 1099 . 1 1 89 89 THR N N 15 118.400 0.048 . 1 . . . . 86 Thr N . 17277 1 1100 . 1 1 90 90 VAL H H 1 8.941 0.007 . 1 . . . . 87 Val H . 17277 1 1101 . 1 1 90 90 VAL HA H 1 5.417 0.006 . 1 . . . . 87 Val HA . 17277 1 1102 . 1 1 90 90 VAL HB H 1 2.125 0.006 . 1 . . . . 87 Val HB . 17277 1 1103 . 1 1 90 90 VAL HG11 H 1 1.285 0.011 . 2 . . . . 87 Val HG11 . 17277 1 1104 . 1 1 90 90 VAL HG12 H 1 1.285 0.011 . 2 . . . . 87 Val HG12 . 17277 1 1105 . 1 1 90 90 VAL HG13 H 1 1.285 0.011 . 2 . . . . 87 Val HG13 . 17277 1 1106 . 1 1 90 90 VAL HG21 H 1 1.273 0.008 . 2 . . . . 87 Val HG21 . 17277 1 1107 . 1 1 90 90 VAL HG22 H 1 1.273 0.008 . 2 . . . . 87 Val HG22 . 17277 1 1108 . 1 1 90 90 VAL HG23 H 1 1.273 0.008 . 2 . . . . 87 Val HG23 . 17277 1 1109 . 1 1 90 90 VAL C C 13 174.953 0.011 . 1 . . . . 87 Val C . 17277 1 1110 . 1 1 90 90 VAL CA C 13 60.280 0.012 . 1 . . . . 87 Val CA . 17277 1 1111 . 1 1 90 90 VAL CB C 13 34.802 0.032 . 1 . . . . 87 Val CB . 17277 1 1112 . 1 1 90 90 VAL CG1 C 13 21.817 0.005 . 2 . . . . 87 Val CG1 . 17277 1 1113 . 1 1 90 90 VAL CG2 C 13 22.887 0.183 . 2 . . . . 87 Val CG2 . 17277 1 1114 . 1 1 90 90 VAL N N 15 128.767 0.041 . 1 . . . . 87 Val N . 17277 1 1115 . 1 1 91 91 MET H H 1 8.425 0.005 . 1 . . . . 88 Met H . 17277 1 1116 . 1 1 91 91 MET HA H 1 4.993 0.008 . 1 . . . . 88 Met HA . 17277 1 1117 . 1 1 91 91 MET HB2 H 1 1.658 0.004 . 2 . . . . 88 Met HB2 . 17277 1 1118 . 1 1 91 91 MET HB3 H 1 2.398 0.009 . 2 . . . . 88 Met HB3 . 17277 1 1119 . 1 1 91 91 MET HE1 H 1 1.817 0.005 . 1 . . . . 88 Met HE1 . 17277 1 1120 . 1 1 91 91 MET HE2 H 1 1.817 0.005 . 1 . . . . 88 Met HE2 . 17277 1 1121 . 1 1 91 91 MET HE3 H 1 1.817 0.005 . 1 . . . . 88 Met HE3 . 17277 1 1122 . 1 1 91 91 MET HG2 H 1 2.395 0.011 . 2 . . . . 88 Met HG2 . 17277 1 1123 . 1 1 91 91 MET HG3 H 1 2.114 0.008 . 2 . . . . 88 Met HG3 . 17277 1 1124 . 1 1 91 91 MET C C 13 173.561 0.000 . 1 . . . . 88 Met C . 17277 1 1125 . 1 1 91 91 MET CA C 13 53.962 0.018 . 1 . . . . 88 Met CA . 17277 1 1126 . 1 1 91 91 MET CB C 13 39.469 0.023 . 1 . . . . 88 Met CB . 17277 1 1127 . 1 1 91 91 MET CE C 13 18.700 0.019 . 1 . . . . 88 Met CE . 17277 1 1128 . 1 1 91 91 MET CG C 13 30.759 0.012 . 1 . . . . 88 Met CG . 17277 1 1129 . 1 1 91 91 MET N N 15 121.346 0.070 . 1 . . . . 88 Met N . 17277 1 1130 . 1 1 92 92 TYR H H 1 10.006 0.005 . 1 . . . . 89 Tyr H . 17277 1 1131 . 1 1 92 92 TYR HA H 1 4.721 0.008 . 1 . . . . 89 Tyr HA . 17277 1 1132 . 1 1 92 92 TYR HB2 H 1 3.288 0.005 . 2 . . . . 89 Tyr HB2 . 17277 1 1133 . 1 1 92 92 TYR HB3 H 1 2.498 0.007 . 2 . . . . 89 Tyr HB3 . 17277 1 1134 . 1 1 92 92 TYR HD1 H 1 6.917 0.006 . 3 . . . . 89 Tyr HD1 . 17277 1 1135 . 1 1 92 92 TYR HD2 H 1 6.917 0.006 . 3 . . . . 89 Tyr HD2 . 17277 1 1136 . 1 1 92 92 TYR HE1 H 1 6.742 0.004 . 3 . . . . 89 Tyr HE1 . 17277 1 1137 . 1 1 92 92 TYR HE2 H 1 6.742 0.004 . 3 . . . . 89 Tyr HE2 . 17277 1 1138 . 1 1 92 92 TYR C C 13 174.433 0.000 . 1 . . . . 89 Tyr C . 17277 1 1139 . 1 1 92 92 TYR CA C 13 57.880 0.022 . 1 . . . . 89 Tyr CA . 17277 1 1140 . 1 1 92 92 TYR CB C 13 40.337 0.042 . 1 . . . . 89 Tyr CB . 17277 1 1141 . 1 1 92 92 TYR CD1 C 13 132.869 0.091 . 3 . . . . 89 Tyr CD1 . 17277 1 1142 . 1 1 92 92 TYR CD2 C 13 132.869 0.091 . 3 . . . . 89 Tyr CD2 . 17277 1 1143 . 1 1 92 92 TYR CE1 C 13 117.724 0.037 . 3 . . . . 89 Tyr CE1 . 17277 1 1144 . 1 1 92 92 TYR CE2 C 13 117.724 0.037 . 3 . . . . 89 Tyr CE2 . 17277 1 1145 . 1 1 92 92 TYR N N 15 125.637 0.035 . 1 . . . . 89 Tyr N . 17277 1 1146 . 1 1 93 93 ASP H H 1 8.713 0.007 . 1 . . . . 90 Asp H . 17277 1 1147 . 1 1 93 93 ASP HA H 1 4.692 0.006 . 1 . . . . 90 Asp HA . 17277 1 1148 . 1 1 93 93 ASP HB2 H 1 2.848 0.009 . 2 . . . . 90 Asp HB2 . 17277 1 1149 . 1 1 93 93 ASP HB3 H 1 1.898 0.011 . 2 . . . . 90 Asp HB3 . 17277 1 1150 . 1 1 93 93 ASP C C 13 176.822 0.000 . 1 . . . . 90 Asp C . 17277 1 1151 . 1 1 93 93 ASP CA C 13 52.431 0.015 . 1 . . . . 90 Asp CA . 17277 1 1152 . 1 1 93 93 ASP CB C 13 39.659 0.020 . 1 . . . . 90 Asp CB . 17277 1 1153 . 1 1 93 93 ASP N N 15 130.766 0.055 . 1 . . . . 90 Asp N . 17277 1 1154 . 1 1 94 94 ALA H H 1 7.778 0.004 . 1 . . . . 91 Ala H . 17277 1 1155 . 1 1 94 94 ALA HA H 1 3.481 0.005 . 1 . . . . 91 Ala HA . 17277 1 1156 . 1 1 94 94 ALA HB1 H 1 1.625 0.005 . 1 . . . . 91 Ala HB1 . 17277 1 1157 . 1 1 94 94 ALA HB2 H 1 1.625 0.005 . 1 . . . . 91 Ala HB2 . 17277 1 1158 . 1 1 94 94 ALA HB3 H 1 1.625 0.005 . 1 . . . . 91 Ala HB3 . 17277 1 1159 . 1 1 94 94 ALA C C 13 177.330 0.024 . 1 . . . . 91 Ala C . 17277 1 1160 . 1 1 94 94 ALA CA C 13 56.365 0.019 . 1 . . . . 91 Ala CA . 17277 1 1161 . 1 1 94 94 ALA CB C 13 19.796 0.021 . 1 . . . . 91 Ala CB . 17277 1 1162 . 1 1 94 94 ALA N N 15 124.746 0.030 . 1 . . . . 91 Ala N . 17277 1 1163 . 1 1 95 95 ASP H H 1 8.144 0.005 . 1 . . . . 92 Asp H . 17277 1 1164 . 1 1 95 95 ASP HA H 1 4.745 0.006 . 1 . . . . 92 Asp HA . 17277 1 1165 . 1 1 95 95 ASP HB2 H 1 2.877 0.010 . 2 . . . . 92 Asp HB2 . 17277 1 1166 . 1 1 95 95 ASP HB3 H 1 2.719 0.005 . 2 . . . . 92 Asp HB3 . 17277 1 1167 . 1 1 95 95 ASP C C 13 176.407 0.024 . 1 . . . . 92 Asp C . 17277 1 1168 . 1 1 95 95 ASP CA C 13 52.831 0.034 . 1 . . . . 92 Asp CA . 17277 1 1169 . 1 1 95 95 ASP CB C 13 41.165 0.019 . 1 . . . . 92 Asp CB . 17277 1 1170 . 1 1 95 95 ASP N N 15 113.209 0.018 . 1 . . . . 92 Asp N . 17277 1 1171 . 1 1 96 96 LYS H H 1 7.855 0.005 . 1 . . . . 93 Lys H . 17277 1 1172 . 1 1 96 96 LYS HA H 1 3.655 0.005 . 1 . . . . 93 Lys HA . 17277 1 1173 . 1 1 96 96 LYS HB2 H 1 2.086 0.014 . 1 . . . . 93 Lys HB2 . 17277 1 1174 . 1 1 96 96 LYS HB3 H 1 2.086 0.014 . 1 . . . . 93 Lys HB3 . 17277 1 1175 . 1 1 96 96 LYS HD2 H 1 1.637 0.003 . 2 . . . . 93 Lys HD2 . 17277 1 1176 . 1 1 96 96 LYS HD3 H 1 1.580 0.008 . 2 . . . . 93 Lys HD3 . 17277 1 1177 . 1 1 96 96 LYS HE2 H 1 2.833 0.000 . 1 . . . . 93 Lys HE2 . 17277 1 1178 . 1 1 96 96 LYS HE3 H 1 2.833 0.000 . 1 . . . . 93 Lys HE3 . 17277 1 1179 . 1 1 96 96 LYS HG2 H 1 1.428 0.000 . 1 . . . . 93 Lys HG2 . 17277 1 1180 . 1 1 96 96 LYS HG3 H 1 1.428 0.000 . 1 . . . . 93 Lys HG3 . 17277 1 1181 . 1 1 96 96 LYS C C 13 175.447 0.002 . 1 . . . . 93 Lys C . 17277 1 1182 . 1 1 96 96 LYS CA C 13 59.022 0.024 . 1 . . . . 93 Lys CA . 17277 1 1183 . 1 1 96 96 LYS CB C 13 29.960 0.060 . 1 . . . . 93 Lys CB . 17277 1 1184 . 1 1 96 96 LYS CD C 13 29.330 0.000 . 1 . . . . 93 Lys CD . 17277 1 1185 . 1 1 96 96 LYS CE C 13 41.683 0.000 . 1 . . . . 93 Lys CE . 17277 1 1186 . 1 1 96 96 LYS CG C 13 24.862 0.000 . 1 . . . . 93 Lys CG . 17277 1 1187 . 1 1 96 96 LYS N N 15 113.161 0.027 . 1 . . . . 93 Lys N . 17277 1 1188 . 1 1 97 97 ALA H H 1 7.958 0.004 . 1 . . . . 94 Ala H . 17277 1 1189 . 1 1 97 97 ALA HA H 1 4.046 0.005 . 1 . . . . 94 Ala HA . 17277 1 1190 . 1 1 97 97 ALA HB1 H 1 1.561 0.004 . 1 . . . . 94 Ala HB1 . 17277 1 1191 . 1 1 97 97 ALA HB2 H 1 1.561 0.004 . 1 . . . . 94 Ala HB2 . 17277 1 1192 . 1 1 97 97 ALA HB3 H 1 1.561 0.004 . 1 . . . . 94 Ala HB3 . 17277 1 1193 . 1 1 97 97 ALA C C 13 181.240 0.006 . 1 . . . . 94 Ala C . 17277 1 1194 . 1 1 97 97 ALA CA C 13 55.944 0.023 . 1 . . . . 94 Ala CA . 17277 1 1195 . 1 1 97 97 ALA CB C 13 19.871 0.043 . 1 . . . . 94 Ala CB . 17277 1 1196 . 1 1 97 97 ALA N N 15 122.064 0.033 . 1 . . . . 94 Ala N . 17277 1 1197 . 1 1 98 98 VAL H H 1 10.630 0.004 . 1 . . . . 95 Val H . 17277 1 1198 . 1 1 98 98 VAL HA H 1 3.947 0.006 . 1 . . . . 95 Val HA . 17277 1 1199 . 1 1 98 98 VAL HB H 1 2.070 0.009 . 1 . . . . 95 Val HB . 17277 1 1200 . 1 1 98 98 VAL HG11 H 1 0.784 0.008 . 2 . . . . 95 Val HG11 . 17277 1 1201 . 1 1 98 98 VAL HG12 H 1 0.784 0.008 . 2 . . . . 95 Val HG12 . 17277 1 1202 . 1 1 98 98 VAL HG13 H 1 0.784 0.008 . 2 . . . . 95 Val HG13 . 17277 1 1203 . 1 1 98 98 VAL HG21 H 1 1.181 0.006 . 2 . . . . 95 Val HG21 . 17277 1 1204 . 1 1 98 98 VAL HG22 H 1 1.181 0.006 . 2 . . . . 95 Val HG22 . 17277 1 1205 . 1 1 98 98 VAL HG23 H 1 1.181 0.006 . 2 . . . . 95 Val HG23 . 17277 1 1206 . 1 1 98 98 VAL C C 13 179.225 0.007 . 1 . . . . 95 Val C . 17277 1 1207 . 1 1 98 98 VAL CA C 13 67.580 0.022 . 1 . . . . 95 Val CA . 17277 1 1208 . 1 1 98 98 VAL CB C 13 30.728 0.083 . 1 . . . . 95 Val CB . 17277 1 1209 . 1 1 98 98 VAL CG1 C 13 22.075 0.024 . 2 . . . . 95 Val CG1 . 17277 1 1210 . 1 1 98 98 VAL CG2 C 13 25.058 0.016 . 2 . . . . 95 Val CG2 . 17277 1 1211 . 1 1 98 98 VAL N N 15 124.311 0.048 . 1 . . . . 95 Val N . 17277 1 1212 . 1 1 99 99 GLY H H 1 10.063 0.006 . 1 . . . . 96 Gly H . 17277 1 1213 . 1 1 99 99 GLY HA2 H 1 3.898 0.007 . 2 . . . . 96 Gly HA2 . 17277 1 1214 . 1 1 99 99 GLY HA3 H 1 3.412 0.005 . 2 . . . . 96 Gly HA3 . 17277 1 1215 . 1 1 99 99 GLY C C 13 178.243 0.000 . 1 . . . . 96 Gly C . 17277 1 1216 . 1 1 99 99 GLY CA C 13 47.898 0.076 . 1 . . . . 96 Gly CA . 17277 1 1217 . 1 1 99 99 GLY N N 15 110.991 0.045 . 1 . . . . 96 Gly N . 17277 1 1218 . 1 1 100 100 GLN H H 1 8.234 0.003 . 1 . . . . 97 Gln H . 17277 1 1219 . 1 1 100 100 GLN HA H 1 4.225 0.005 . 1 . . . . 97 Gln HA . 17277 1 1220 . 1 1 100 100 GLN HB2 H 1 2.193 0.009 . 2 . . . . 97 Gln HB2 . 17277 1 1221 . 1 1 100 100 GLN HB3 H 1 2.059 0.009 . 2 . . . . 97 Gln HB3 . 17277 1 1222 . 1 1 100 100 GLN HE21 H 1 7.424 0.002 . 1 . . . . 97 Gln HE21 . 17277 1 1223 . 1 1 100 100 GLN HE22 H 1 6.840 0.001 . 1 . . . . 97 Gln HE22 . 17277 1 1224 . 1 1 100 100 GLN HG2 H 1 2.560 0.005 . 2 . . . . 97 Gln HG2 . 17277 1 1225 . 1 1 100 100 GLN HG3 H 1 2.403 0.004 . 2 . . . . 97 Gln HG3 . 17277 1 1226 . 1 1 100 100 GLN C C 13 179.903 0.010 . 1 . . . . 97 Gln C . 17277 1 1227 . 1 1 100 100 GLN CA C 13 58.899 0.060 . 1 . . . . 97 Gln CA . 17277 1 1228 . 1 1 100 100 GLN CB C 13 28.254 0.097 . 1 . . . . 97 Gln CB . 17277 1 1229 . 1 1 100 100 GLN CG C 13 34.629 0.013 . 1 . . . . 97 Gln CG . 17277 1 1230 . 1 1 100 100 GLN N N 15 119.507 0.062 . 1 . . . . 97 Gln N . 17277 1 1231 . 1 1 100 100 GLN NE2 N 15 111.296 0.021 . 1 . . . . 97 Gln NE2 . 17277 1 1232 . 1 1 101 101 ALA H H 1 8.306 0.003 . 1 . . . . 98 Ala H . 17277 1 1233 . 1 1 101 101 ALA HA H 1 4.158 0.005 . 1 . . . . 98 Ala HA . 17277 1 1234 . 1 1 101 101 ALA HB1 H 1 1.612 0.005 . 1 . . . . 98 Ala HB1 . 17277 1 1235 . 1 1 101 101 ALA HB2 H 1 1.612 0.005 . 1 . . . . 98 Ala HB2 . 17277 1 1236 . 1 1 101 101 ALA HB3 H 1 1.612 0.005 . 1 . . . . 98 Ala HB3 . 17277 1 1237 . 1 1 101 101 ALA C C 13 179.732 0.032 . 1 . . . . 98 Ala C . 17277 1 1238 . 1 1 101 101 ALA CA C 13 55.240 0.074 . 1 . . . . 98 Ala CA . 17277 1 1239 . 1 1 101 101 ALA CB C 13 17.478 0.016 . 1 . . . . 98 Ala CB . 17277 1 1240 . 1 1 101 101 ALA N N 15 125.285 0.068 . 1 . . . . 98 Ala N . 17277 1 1241 . 1 1 102 102 PHE H H 1 7.955 0.005 . 1 . . . . 99 Phe H . 17277 1 1242 . 1 1 102 102 PHE HA H 1 4.164 0.006 . 1 . . . . 99 Phe HA . 17277 1 1243 . 1 1 102 102 PHE HB2 H 1 3.080 0.007 . 2 . . . . 99 Phe HB2 . 17277 1 1244 . 1 1 102 102 PHE HB3 H 1 2.685 0.006 . 2 . . . . 99 Phe HB3 . 17277 1 1245 . 1 1 102 102 PHE HD1 H 1 7.721 0.005 . 3 . . . . 99 Phe HD1 . 17277 1 1246 . 1 1 102 102 PHE HD2 H 1 7.721 0.005 . 3 . . . . 99 Phe HD2 . 17277 1 1247 . 1 1 102 102 PHE HE1 H 1 6.962 0.009 . 3 . . . . 99 Phe HE1 . 17277 1 1248 . 1 1 102 102 PHE HE2 H 1 6.962 0.009 . 3 . . . . 99 Phe HE2 . 17277 1 1249 . 1 1 102 102 PHE C C 13 175.415 0.000 . 1 . . . . 99 Phe C . 17277 1 1250 . 1 1 102 102 PHE CA C 13 59.566 0.081 . 1 . . . . 99 Phe CA . 17277 1 1251 . 1 1 102 102 PHE CB C 13 39.893 0.027 . 1 . . . . 99 Phe CB . 17277 1 1252 . 1 1 102 102 PHE CD1 C 13 132.845 0.039 . 3 . . . . 99 Phe CD1 . 17277 1 1253 . 1 1 102 102 PHE CD2 C 13 132.845 0.039 . 3 . . . . 99 Phe CD2 . 17277 1 1254 . 1 1 102 102 PHE CE1 C 13 130.528 0.091 . 3 . . . . 99 Phe CE1 . 17277 1 1255 . 1 1 102 102 PHE CE2 C 13 130.528 0.091 . 3 . . . . 99 Phe CE2 . 17277 1 1256 . 1 1 102 102 PHE N N 15 113.223 0.033 . 1 . . . . 99 Phe N . 17277 1 1257 . 1 1 103 103 GLY H H 1 8.005 0.003 . 1 . . . . 100 Gly H . 17277 1 1258 . 1 1 103 103 GLY HA2 H 1 3.881 0.001 . 1 . . . . 100 Gly HA2 . 17277 1 1259 . 1 1 103 103 GLY HA3 H 1 3.882 0.001 . 1 . . . . 100 Gly HA3 . 17277 1 1260 . 1 1 103 103 GLY C C 13 175.591 0.003 . 1 . . . . 100 Gly C . 17277 1 1261 . 1 1 103 103 GLY CA C 13 46.658 0.070 . 1 . . . . 100 Gly CA . 17277 1 1262 . 1 1 103 103 GLY N N 15 110.463 0.048 . 1 . . . . 100 Gly N . 17277 1 1263 . 1 1 104 104 THR H H 1 8.001 0.005 . 1 . . . . 101 Thr H . 17277 1 1264 . 1 1 104 104 THR HA H 1 3.897 0.005 . 1 . . . . 101 Thr HA . 17277 1 1265 . 1 1 104 104 THR HB H 1 3.620 0.004 . 1 . . . . 101 Thr HB . 17277 1 1266 . 1 1 104 104 THR HG21 H 1 0.264 0.005 . 1 . . . . 101 Thr HG21 . 17277 1 1267 . 1 1 104 104 THR HG22 H 1 0.264 0.005 . 1 . . . . 101 Thr HG22 . 17277 1 1268 . 1 1 104 104 THR HG23 H 1 0.264 0.005 . 1 . . . . 101 Thr HG23 . 17277 1 1269 . 1 1 104 104 THR C C 13 174.641 0.006 . 1 . . . . 101 Thr C . 17277 1 1270 . 1 1 104 104 THR CA C 13 62.478 0.030 . 1 . . . . 101 Thr CA . 17277 1 1271 . 1 1 104 104 THR CB C 13 69.333 0.023 . 1 . . . . 101 Thr CB . 17277 1 1272 . 1 1 104 104 THR CG2 C 13 21.278 0.026 . 1 . . . . 101 Thr CG2 . 17277 1 1273 . 1 1 104 104 THR N N 15 111.574 0.029 . 1 . . . . 101 Thr N . 17277 1 1274 . 1 1 105 105 GLN H H 1 8.871 0.004 . 1 . . . . 102 Gln H . 17277 1 1275 . 1 1 105 105 GLN HA H 1 4.409 0.007 . 1 . . . . 102 Gln HA . 17277 1 1276 . 1 1 105 105 GLN HB2 H 1 2.084 0.002 . 2 . . . . 102 Gln HB2 . 17277 1 1277 . 1 1 105 105 GLN HB3 H 1 1.817 0.006 . 2 . . . . 102 Gln HB3 . 17277 1 1278 . 1 1 105 105 GLN HE21 H 1 7.335 0.002 . 1 . . . . 102 Gln HE21 . 17277 1 1279 . 1 1 105 105 GLN HE22 H 1 6.762 0.001 . 1 . . . . 102 Gln HE22 . 17277 1 1280 . 1 1 105 105 GLN HG2 H 1 2.247 0.000 . 1 . . . . 102 Gln HG2 . 17277 1 1281 . 1 1 105 105 GLN HG3 H 1 2.247 0.000 . 1 . . . . 102 Gln HG3 . 17277 1 1282 . 1 1 105 105 GLN C C 13 174.192 0.001 . 1 . . . . 102 Gln C . 17277 1 1283 . 1 1 105 105 GLN CA C 13 56.564 0.023 . 1 . . . . 102 Gln CA . 17277 1 1284 . 1 1 105 105 GLN CB C 13 33.320 0.127 . 1 . . . . 102 Gln CB . 17277 1 1285 . 1 1 105 105 GLN CG C 13 33.653 0.000 . 1 . . . . 102 Gln CG . 17277 1 1286 . 1 1 105 105 GLN N N 15 119.009 0.083 . 1 . . . . 102 Gln N . 17277 1 1287 . 1 1 105 105 GLN NE2 N 15 111.972 0.023 . 1 . . . . 102 Gln NE2 . 17277 1 1288 . 1 1 106 106 VAL H H 1 7.372 0.003 . 1 . . . . 103 Val H . 17277 1 1289 . 1 1 106 106 VAL HA H 1 4.161 0.001 . 1 . . . . 103 Val HA . 17277 1 1290 . 1 1 106 106 VAL HB H 1 1.868 0.003 . 1 . . . . 103 Val HB . 17277 1 1291 . 1 1 106 106 VAL HG11 H 1 0.713 0.002 . 2 . . . . 103 Val HG11 . 17277 1 1292 . 1 1 106 106 VAL HG12 H 1 0.713 0.002 . 2 . . . . 103 Val HG12 . 17277 1 1293 . 1 1 106 106 VAL HG13 H 1 0.713 0.002 . 2 . . . . 103 Val HG13 . 17277 1 1294 . 1 1 106 106 VAL HG21 H 1 0.799 0.003 . 2 . . . . 103 Val HG21 . 17277 1 1295 . 1 1 106 106 VAL HG22 H 1 0.799 0.003 . 2 . . . . 103 Val HG22 . 17277 1 1296 . 1 1 106 106 VAL HG23 H 1 0.799 0.003 . 2 . . . . 103 Val HG23 . 17277 1 1297 . 1 1 106 106 VAL C C 13 172.718 0.008 . 1 . . . . 103 Val C . 17277 1 1298 . 1 1 106 106 VAL CA C 13 59.895 0.035 . 1 . . . . 103 Val CA . 17277 1 1299 . 1 1 106 106 VAL CB C 13 34.897 0.027 . 1 . . . . 103 Val CB . 17277 1 1300 . 1 1 106 106 VAL CG1 C 13 19.831 0.015 . 2 . . . . 103 Val CG1 . 17277 1 1301 . 1 1 106 106 VAL CG2 C 13 21.259 0.019 . 2 . . . . 103 Val CG2 . 17277 1 1302 . 1 1 106 106 VAL N N 15 117.167 0.047 . 1 . . . . 103 Val N . 17277 1 1303 . 1 1 107 107 TYR H H 1 8.341 0.006 . 1 . . . . 104 Tyr H . 17277 1 1304 . 1 1 107 107 TYR HA H 1 4.820 0.005 . 1 . . . . 104 Tyr HA . 17277 1 1305 . 1 1 107 107 TYR HB2 H 1 3.062 0.007 . 2 . . . . 104 Tyr HB2 . 17277 1 1306 . 1 1 107 107 TYR HB3 H 1 2.833 0.004 . 2 . . . . 104 Tyr HB3 . 17277 1 1307 . 1 1 107 107 TYR HD1 H 1 7.199 0.009 . 3 . . . . 104 Tyr HD1 . 17277 1 1308 . 1 1 107 107 TYR HD2 H 1 7.199 0.009 . 3 . . . . 104 Tyr HD2 . 17277 1 1309 . 1 1 107 107 TYR HE1 H 1 6.519 0.006 . 3 . . . . 104 Tyr HE1 . 17277 1 1310 . 1 1 107 107 TYR HE2 H 1 6.519 0.006 . 3 . . . . 104 Tyr HE2 . 17277 1 1311 . 1 1 107 107 TYR C C 13 173.216 0.000 . 1 . . . . 104 Tyr C . 17277 1 1312 . 1 1 107 107 TYR CA C 13 55.954 0.008 . 1 . . . . 104 Tyr CA . 17277 1 1313 . 1 1 107 107 TYR CB C 13 41.188 0.023 . 1 . . . . 104 Tyr CB . 17277 1 1314 . 1 1 107 107 TYR CD1 C 13 133.790 0.064 . 3 . . . . 104 Tyr CD1 . 17277 1 1315 . 1 1 107 107 TYR CD2 C 13 133.790 0.064 . 3 . . . . 104 Tyr CD2 . 17277 1 1316 . 1 1 107 107 TYR CE1 C 13 117.155 0.011 . 3 . . . . 104 Tyr CE1 . 17277 1 1317 . 1 1 107 107 TYR CE2 C 13 117.155 0.011 . 3 . . . . 104 Tyr CE2 . 17277 1 1318 . 1 1 107 107 TYR N N 15 119.204 0.067 . 1 . . . . 104 Tyr N . 17277 1 1319 . 1 1 108 108 PRO HA H 1 5.435 0.008 . 1 . . . . 105 Pro HA . 17277 1 1320 . 1 1 108 108 PRO HB2 H 1 2.823 0.007 . 2 . . . . 105 Pro HB2 . 17277 1 1321 . 1 1 108 108 PRO HB3 H 1 2.556 0.005 . 2 . . . . 105 Pro HB3 . 17277 1 1322 . 1 1 108 108 PRO HD2 H 1 3.627 0.006 . 1 . . . . 105 Pro HD2 . 17277 1 1323 . 1 1 108 108 PRO HD3 H 1 3.627 0.006 . 1 . . . . 105 Pro HD3 . 17277 1 1324 . 1 1 108 108 PRO HG2 H 1 1.841 0.008 . 1 . . . . 105 Pro HG2 . 17277 1 1325 . 1 1 108 108 PRO HG3 H 1 1.841 0.008 . 1 . . . . 105 Pro HG3 . 17277 1 1326 . 1 1 108 108 PRO C C 13 176.702 0.026 . 1 . . . . 105 Pro C . 17277 1 1327 . 1 1 108 108 PRO CA C 13 63.731 0.008 . 1 . . . . 105 Pro CA . 17277 1 1328 . 1 1 108 108 PRO CB C 13 35.743 0.029 . 1 . . . . 105 Pro CB . 17277 1 1329 . 1 1 108 108 PRO CD C 13 50.282 0.007 . 1 . . . . 105 Pro CD . 17277 1 1330 . 1 1 108 108 PRO CG C 13 26.463 0.000 . 1 . . . . 105 Pro CG . 17277 1 1331 . 1 1 109 109 THR H H 1 8.098 0.004 . 1 . . . . 106 Thr H . 17277 1 1332 . 1 1 109 109 THR HA H 1 5.229 0.009 . 1 . . . . 106 Thr HA . 17277 1 1333 . 1 1 109 109 THR HB H 1 3.859 0.008 . 1 . . . . 106 Thr HB . 17277 1 1334 . 1 1 109 109 THR HG21 H 1 1.191 0.006 . 1 . . . . 106 Thr HG21 . 17277 1 1335 . 1 1 109 109 THR HG22 H 1 1.191 0.006 . 1 . . . . 106 Thr HG22 . 17277 1 1336 . 1 1 109 109 THR HG23 H 1 1.191 0.006 . 1 . . . . 106 Thr HG23 . 17277 1 1337 . 1 1 109 109 THR C C 13 173.090 0.000 . 1 . . . . 106 Thr C . 17277 1 1338 . 1 1 109 109 THR CA C 13 63.669 0.012 . 1 . . . . 106 Thr CA . 17277 1 1339 . 1 1 109 109 THR CB C 13 74.656 0.039 . 1 . . . . 106 Thr CB . 17277 1 1340 . 1 1 109 109 THR CG2 C 13 21.317 0.020 . 1 . . . . 106 Thr CG2 . 17277 1 1341 . 1 1 109 109 THR N N 15 117.060 0.066 . 1 . . . . 106 Thr N . 17277 1 1342 . 1 1 110 110 SER H H 1 9.729 0.005 . 1 . . . . 107 Ser H . 17277 1 1343 . 1 1 110 110 SER HA H 1 6.273 0.010 . 1 . . . . 107 Ser HA . 17277 1 1344 . 1 1 110 110 SER HB2 H 1 3.747 0.005 . 1 . . . . 107 Ser HB2 . 17277 1 1345 . 1 1 110 110 SER HB3 H 1 3.747 0.006 . 1 . . . . 107 Ser HB3 . 17277 1 1346 . 1 1 110 110 SER C C 13 172.357 0.000 . 1 . . . . 107 Ser C . 17277 1 1347 . 1 1 110 110 SER CA C 13 57.963 0.021 . 1 . . . . 107 Ser CA . 17277 1 1348 . 1 1 110 110 SER CB C 13 66.780 0.027 . 1 . . . . 107 Ser CB . 17277 1 1349 . 1 1 110 110 SER N N 15 121.988 0.017 . 1 . . . . 107 Ser N . 17277 1 1350 . 1 1 111 111 VAL H H 1 9.531 0.005 . 1 . . . . 108 Val H . 17277 1 1351 . 1 1 111 111 VAL HA H 1 4.919 0.006 . 1 . . . . 108 Val HA . 17277 1 1352 . 1 1 111 111 VAL HB H 1 1.931 0.006 . 1 . . . . 108 Val HB . 17277 1 1353 . 1 1 111 111 VAL HG11 H 1 1.091 0.010 . 2 . . . . 108 Val HG11 . 17277 1 1354 . 1 1 111 111 VAL HG12 H 1 1.091 0.010 . 2 . . . . 108 Val HG12 . 17277 1 1355 . 1 1 111 111 VAL HG13 H 1 1.091 0.010 . 2 . . . . 108 Val HG13 . 17277 1 1356 . 1 1 111 111 VAL HG21 H 1 1.180 0.008 . 2 . . . . 108 Val HG21 . 17277 1 1357 . 1 1 111 111 VAL HG22 H 1 1.180 0.008 . 2 . . . . 108 Val HG22 . 17277 1 1358 . 1 1 111 111 VAL HG23 H 1 1.180 0.008 . 2 . . . . 108 Val HG23 . 17277 1 1359 . 1 1 111 111 VAL C C 13 173.838 0.004 . 1 . . . . 108 Val C . 17277 1 1360 . 1 1 111 111 VAL CA C 13 61.053 0.013 . 1 . . . . 108 Val CA . 17277 1 1361 . 1 1 111 111 VAL CB C 13 35.649 0.041 . 1 . . . . 108 Val CB . 17277 1 1362 . 1 1 111 111 VAL CG1 C 13 21.232 0.017 . 2 . . . . 108 Val CG1 . 17277 1 1363 . 1 1 111 111 VAL CG2 C 13 22.672 0.044 . 2 . . . . 108 Val CG2 . 17277 1 1364 . 1 1 111 111 VAL N N 15 123.509 0.037 . 1 . . . . 108 Val N . 17277 1 1365 . 1 1 112 112 LEU H H 1 9.302 0.004 . 1 . . . . 109 Leu H . 17277 1 1366 . 1 1 112 112 LEU HA H 1 5.388 0.008 . 1 . . . . 109 Leu HA . 17277 1 1367 . 1 1 112 112 LEU HB2 H 1 2.065 0.009 . 2 . . . . 109 Leu HB2 . 17277 1 1368 . 1 1 112 112 LEU HB3 H 1 1.238 0.014 . 2 . . . . 109 Leu HB3 . 17277 1 1369 . 1 1 112 112 LEU HD11 H 1 0.956 0.006 . 2 . . . . 109 Leu HD11 . 17277 1 1370 . 1 1 112 112 LEU HD12 H 1 0.956 0.006 . 2 . . . . 109 Leu HD12 . 17277 1 1371 . 1 1 112 112 LEU HD13 H 1 0.956 0.006 . 2 . . . . 109 Leu HD13 . 17277 1 1372 . 1 1 112 112 LEU HD21 H 1 0.853 0.003 . 2 . . . . 109 Leu HD21 . 17277 1 1373 . 1 1 112 112 LEU HD22 H 1 0.853 0.003 . 2 . . . . 109 Leu HD22 . 17277 1 1374 . 1 1 112 112 LEU HD23 H 1 0.853 0.003 . 2 . . . . 109 Leu HD23 . 17277 1 1375 . 1 1 112 112 LEU HG H 1 1.562 0.008 . 1 . . . . 109 Leu HG . 17277 1 1376 . 1 1 112 112 LEU C C 13 174.652 0.000 . 1 . . . . 109 Leu C . 17277 1 1377 . 1 1 112 112 LEU CA C 13 53.844 0.013 . 1 . . . . 109 Leu CA . 17277 1 1378 . 1 1 112 112 LEU CB C 13 45.489 0.027 . 1 . . . . 109 Leu CB . 17277 1 1379 . 1 1 112 112 LEU CD1 C 13 24.025 0.018 . 2 . . . . 109 Leu CD1 . 17277 1 1380 . 1 1 112 112 LEU CD2 C 13 26.466 0.017 . 2 . . . . 109 Leu CD2 . 17277 1 1381 . 1 1 112 112 LEU CG C 13 27.608 0.000 . 1 . . . . 109 Leu CG . 17277 1 1382 . 1 1 112 112 LEU N N 15 129.735 0.052 . 1 . . . . 109 Leu N . 17277 1 1383 . 1 1 113 113 ILE H H 1 10.031 0.003 . 1 . . . . 110 Ile H . 17277 1 1384 . 1 1 113 113 ILE HA H 1 5.192 0.009 . 1 . . . . 110 Ile HA . 17277 1 1385 . 1 1 113 113 ILE HB H 1 2.011 0.005 . 1 . . . . 110 Ile HB . 17277 1 1386 . 1 1 113 113 ILE HD11 H 1 0.923 0.006 . 1 . . . . 110 Ile HD11 . 17277 1 1387 . 1 1 113 113 ILE HD12 H 1 0.923 0.006 . 1 . . . . 110 Ile HD12 . 17277 1 1388 . 1 1 113 113 ILE HD13 H 1 0.923 0.006 . 1 . . . . 110 Ile HD13 . 17277 1 1389 . 1 1 113 113 ILE HG12 H 1 1.594 0.013 . 2 . . . . 110 Ile HG12 . 17277 1 1390 . 1 1 113 113 ILE HG13 H 1 1.289 0.009 . 2 . . . . 110 Ile HG13 . 17277 1 1391 . 1 1 113 113 ILE HG21 H 1 1.312 0.008 . 1 . . . . 110 Ile HG21 . 17277 1 1392 . 1 1 113 113 ILE HG22 H 1 1.312 0.008 . 1 . . . . 110 Ile HG22 . 17277 1 1393 . 1 1 113 113 ILE HG23 H 1 1.312 0.008 . 1 . . . . 110 Ile HG23 . 17277 1 1394 . 1 1 113 113 ILE C C 13 176.439 0.000 . 1 . . . . 110 Ile C . 17277 1 1395 . 1 1 113 113 ILE CA C 13 59.120 0.018 . 1 . . . . 110 Ile CA . 17277 1 1396 . 1 1 113 113 ILE CB C 13 40.119 0.043 . 1 . . . . 110 Ile CB . 17277 1 1397 . 1 1 113 113 ILE CD1 C 13 14.260 0.017 . 1 . . . . 110 Ile CD1 . 17277 1 1398 . 1 1 113 113 ILE CG1 C 13 28.286 0.010 . 1 . . . . 110 Ile CG1 . 17277 1 1399 . 1 1 113 113 ILE CG2 C 13 18.327 0.013 . 1 . . . . 110 Ile CG2 . 17277 1 1400 . 1 1 113 113 ILE N N 15 130.426 0.029 . 1 . . . . 110 Ile N . 17277 1 1401 . 1 1 114 114 GLY H H 1 9.246 0.004 . 1 . . . . 111 Gly H . 17277 1 1402 . 1 1 114 114 GLY HA2 H 1 4.523 0.008 . 2 . . . . 111 Gly HA2 . 17277 1 1403 . 1 1 114 114 GLY HA3 H 1 3.947 0.009 . 2 . . . . 111 Gly HA3 . 17277 1 1404 . 1 1 114 114 GLY C C 13 175.234 0.009 . 1 . . . . 111 Gly C . 17277 1 1405 . 1 1 114 114 GLY CA C 13 45.051 0.017 . 1 . . . . 111 Gly CA . 17277 1 1406 . 1 1 114 114 GLY N N 15 113.279 0.040 . 1 . . . . 111 Gly N . 17277 1 1407 . 1 1 115 115 LYS H H 1 8.268 0.003 . 1 . . . . 112 Lys H . 17277 1 1408 . 1 1 115 115 LYS HA H 1 4.883 0.007 . 1 . . . . 112 Lys HA . 17277 1 1409 . 1 1 115 115 LYS HB2 H 1 1.854 0.000 . 1 . . . . 112 Lys HB2 . 17277 1 1410 . 1 1 115 115 LYS HB3 H 1 1.854 0.000 . 1 . . . . 112 Lys HB3 . 17277 1 1411 . 1 1 115 115 LYS HD2 H 1 1.737 0.012 . 1 . . . . 112 Lys HD2 . 17277 1 1412 . 1 1 115 115 LYS HD3 H 1 1.737 0.012 . 1 . . . . 112 Lys HD3 . 17277 1 1413 . 1 1 115 115 LYS HE2 H 1 3.029 0.000 . 1 . . . . 112 Lys HE2 . 17277 1 1414 . 1 1 115 115 LYS HE3 H 1 3.029 0.000 . 1 . . . . 112 Lys HE3 . 17277 1 1415 . 1 1 115 115 LYS HG2 H 1 1.506 0.011 . 2 . . . . 112 Lys HG2 . 17277 1 1416 . 1 1 115 115 LYS HG3 H 1 1.227 0.004 . 2 . . . . 112 Lys HG3 . 17277 1 1417 . 1 1 115 115 LYS C C 13 179.426 0.041 . 1 . . . . 112 Lys C . 17277 1 1418 . 1 1 115 115 LYS CA C 13 58.289 0.024 . 1 . . . . 112 Lys CA . 17277 1 1419 . 1 1 115 115 LYS CB C 13 33.254 0.036 . 1 . . . . 112 Lys CB . 17277 1 1420 . 1 1 115 115 LYS CD C 13 29.929 0.000 . 1 . . . . 112 Lys CD . 17277 1 1421 . 1 1 115 115 LYS CE C 13 41.995 0.000 . 1 . . . . 112 Lys CE . 17277 1 1422 . 1 1 115 115 LYS CG C 13 25.770 0.000 . 1 . . . . 112 Lys CG . 17277 1 1423 . 1 1 115 115 LYS N N 15 113.210 0.028 . 1 . . . . 112 Lys N . 17277 1 1424 . 1 1 116 116 LYS H H 1 9.424 0.004 . 1 . . . . 113 Lys H . 17277 1 1425 . 1 1 116 116 LYS HA H 1 4.787 0.005 . 1 . . . . 113 Lys HA . 17277 1 1426 . 1 1 116 116 LYS HB2 H 1 2.091 0.002 . 2 . . . . 113 Lys HB2 . 17277 1 1427 . 1 1 116 116 LYS HB3 H 1 1.711 0.001 . 2 . . . . 113 Lys HB3 . 17277 1 1428 . 1 1 116 116 LYS HD2 H 1 1.713 0.000 . 1 . . . . 113 Lys HD2 . 17277 1 1429 . 1 1 116 116 LYS HD3 H 1 1.713 0.000 . 1 . . . . 113 Lys HD3 . 17277 1 1430 . 1 1 116 116 LYS HE2 H 1 3.018 0.000 . 1 . . . . 113 Lys HE2 . 17277 1 1431 . 1 1 116 116 LYS HE3 H 1 3.018 0.000 . 1 . . . . 113 Lys HE3 . 17277 1 1432 . 1 1 116 116 LYS HG2 H 1 1.452 0.000 . 1 . . . . 113 Lys HG2 . 17277 1 1433 . 1 1 116 116 LYS HG3 H 1 1.452 0.000 . 1 . . . . 113 Lys HG3 . 17277 1 1434 . 1 1 116 116 LYS C C 13 177.889 0.014 . 1 . . . . 113 Lys C . 17277 1 1435 . 1 1 116 116 LYS CA C 13 55.008 0.081 . 1 . . . . 113 Lys CA . 17277 1 1436 . 1 1 116 116 LYS CB C 13 31.505 0.097 . 1 . . . . 113 Lys CB . 17277 1 1437 . 1 1 116 116 LYS CD C 13 29.118 0.000 . 1 . . . . 113 Lys CD . 17277 1 1438 . 1 1 116 116 LYS CE C 13 41.975 0.000 . 1 . . . . 113 Lys CE . 17277 1 1439 . 1 1 116 116 LYS CG C 13 25.286 0.000 . 1 . . . . 113 Lys CG . 17277 1 1440 . 1 1 116 116 LYS N N 15 120.305 0.037 . 1 . . . . 113 Lys N . 17277 1 1441 . 1 1 117 117 GLY H H 1 8.570 0.004 . 1 . . . . 114 Gly H . 17277 1 1442 . 1 1 117 117 GLY HA2 H 1 4.140 0.005 . 2 . . . . 114 Gly HA2 . 17277 1 1443 . 1 1 117 117 GLY HA3 H 1 3.493 0.006 . 2 . . . . 114 Gly HA3 . 17277 1 1444 . 1 1 117 117 GLY C C 13 172.682 0.012 . 1 . . . . 114 Gly C . 17277 1 1445 . 1 1 117 117 GLY CA C 13 46.216 0.017 . 1 . . . . 114 Gly CA . 17277 1 1446 . 1 1 117 117 GLY N N 15 109.458 0.040 . 1 . . . . 114 Gly N . 17277 1 1447 . 1 1 118 118 GLU H H 1 11.048 0.005 . 1 . . . . 115 Glu H . 17277 1 1448 . 1 1 118 118 GLU HA H 1 4.715 0.006 . 1 . . . . 115 Glu HA . 17277 1 1449 . 1 1 118 118 GLU HB2 H 1 1.845 0.005 . 1 . . . . 115 Glu HB2 . 17277 1 1450 . 1 1 118 118 GLU HB3 H 1 1.845 0.005 . 1 . . . . 115 Glu HB3 . 17277 1 1451 . 1 1 118 118 GLU HG2 H 1 2.318 0.003 . 1 . . . . 115 Glu HG2 . 17277 1 1452 . 1 1 118 118 GLU HG3 H 1 2.318 0.003 . 1 . . . . 115 Glu HG3 . 17277 1 1453 . 1 1 118 118 GLU C C 13 174.973 0.014 . 1 . . . . 115 Glu C . 17277 1 1454 . 1 1 118 118 GLU CA C 13 54.604 0.032 . 1 . . . . 115 Glu CA . 17277 1 1455 . 1 1 118 118 GLU CB C 13 29.524 0.058 . 1 . . . . 115 Glu CB . 17277 1 1456 . 1 1 118 118 GLU CG C 13 35.983 0.000 . 1 . . . . 115 Glu CG . 17277 1 1457 . 1 1 118 118 GLU N N 15 126.164 0.039 . 1 . . . . 115 Glu N . 17277 1 1458 . 1 1 119 119 ILE H H 1 8.865 0.004 . 1 . . . . 116 Ile H . 17277 1 1459 . 1 1 119 119 ILE HA H 1 4.003 0.006 . 1 . . . . 116 Ile HA . 17277 1 1460 . 1 1 119 119 ILE HB H 1 1.826 0.008 . 1 . . . . 116 Ile HB . 17277 1 1461 . 1 1 119 119 ILE HD11 H 1 0.920 0.009 . 1 . . . . 116 Ile HD11 . 17277 1 1462 . 1 1 119 119 ILE HD12 H 1 0.920 0.009 . 1 . . . . 116 Ile HD12 . 17277 1 1463 . 1 1 119 119 ILE HD13 H 1 0.920 0.009 . 1 . . . . 116 Ile HD13 . 17277 1 1464 . 1 1 119 119 ILE HG12 H 1 1.647 0.010 . 2 . . . . 116 Ile HG12 . 17277 1 1465 . 1 1 119 119 ILE HG13 H 1 0.940 0.008 . 2 . . . . 116 Ile HG13 . 17277 1 1466 . 1 1 119 119 ILE HG21 H 1 0.799 0.008 . 1 . . . . 116 Ile HG21 . 17277 1 1467 . 1 1 119 119 ILE HG22 H 1 0.799 0.008 . 1 . . . . 116 Ile HG22 . 17277 1 1468 . 1 1 119 119 ILE HG23 H 1 0.799 0.008 . 1 . . . . 116 Ile HG23 . 17277 1 1469 . 1 1 119 119 ILE C C 13 176.339 0.004 . 1 . . . . 116 Ile C . 17277 1 1470 . 1 1 119 119 ILE CA C 13 63.042 0.049 . 1 . . . . 116 Ile CA . 17277 1 1471 . 1 1 119 119 ILE CB C 13 37.637 0.035 . 1 . . . . 116 Ile CB . 17277 1 1472 . 1 1 119 119 ILE CD1 C 13 13.579 0.012 . 1 . . . . 116 Ile CD1 . 17277 1 1473 . 1 1 119 119 ILE CG1 C 13 28.292 0.004 . 1 . . . . 116 Ile CG1 . 17277 1 1474 . 1 1 119 119 ILE CG2 C 13 17.206 0.012 . 1 . . . . 116 Ile CG2 . 17277 1 1475 . 1 1 119 119 ILE N N 15 123.194 0.036 . 1 . . . . 116 Ile N . 17277 1 1476 . 1 1 120 120 LEU H H 1 9.558 0.007 . 1 . . . . 117 Leu H . 17277 1 1477 . 1 1 120 120 LEU HA H 1 4.480 0.011 . 1 . . . . 117 Leu HA . 17277 1 1478 . 1 1 120 120 LEU HB2 H 1 1.500 0.006 . 2 . . . . 117 Leu HB2 . 17277 1 1479 . 1 1 120 120 LEU HB3 H 1 1.589 0.008 . 2 . . . . 117 Leu HB3 . 17277 1 1480 . 1 1 120 120 LEU HD11 H 1 0.903 0.011 . 2 . . . . 117 Leu HD11 . 17277 1 1481 . 1 1 120 120 LEU HD12 H 1 0.903 0.011 . 2 . . . . 117 Leu HD12 . 17277 1 1482 . 1 1 120 120 LEU HD13 H 1 0.903 0.011 . 2 . . . . 117 Leu HD13 . 17277 1 1483 . 1 1 120 120 LEU HD21 H 1 0.936 0.011 . 2 . . . . 117 Leu HD21 . 17277 1 1484 . 1 1 120 120 LEU HD22 H 1 0.936 0.011 . 2 . . . . 117 Leu HD22 . 17277 1 1485 . 1 1 120 120 LEU HD23 H 1 0.936 0.011 . 2 . . . . 117 Leu HD23 . 17277 1 1486 . 1 1 120 120 LEU HG H 1 1.816 0.010 . 1 . . . . 117 Leu HG . 17277 1 1487 . 1 1 120 120 LEU C C 13 177.800 0.000 . 1 . . . . 117 Leu C . 17277 1 1488 . 1 1 120 120 LEU CA C 13 56.050 0.025 . 1 . . . . 117 Leu CA . 17277 1 1489 . 1 1 120 120 LEU CB C 13 43.093 0.007 . 1 . . . . 117 Leu CB . 17277 1 1490 . 1 1 120 120 LEU CD1 C 13 25.311 0.009 . 2 . . . . 117 Leu CD1 . 17277 1 1491 . 1 1 120 120 LEU CD2 C 13 22.627 0.015 . 2 . . . . 117 Leu CD2 . 17277 1 1492 . 1 1 120 120 LEU CG C 13 26.978 0.000 . 1 . . . . 117 Leu CG . 17277 1 1493 . 1 1 120 120 LEU N N 15 130.038 0.036 . 1 . . . . 117 Leu N . 17277 1 1494 . 1 1 121 121 LYS H H 1 7.529 0.004 . 1 . . . . 118 Lys H . 17277 1 1495 . 1 1 121 121 LYS HA H 1 4.379 0.004 . 1 . . . . 118 Lys HA . 17277 1 1496 . 1 1 121 121 LYS HB2 H 1 1.605 0.006 . 2 . . . . 118 Lys HB2 . 17277 1 1497 . 1 1 121 121 LYS HB3 H 1 1.285 0.004 . 2 . . . . 118 Lys HB3 . 17277 1 1498 . 1 1 121 121 LYS HD2 H 1 1.707 0.000 . 2 . . . . 118 Lys HD2 . 17277 1 1499 . 1 1 121 121 LYS HD3 H 1 1.609 0.006 . 2 . . . . 118 Lys HD3 . 17277 1 1500 . 1 1 121 121 LYS HE2 H 1 2.808 0.008 . 1 . . . . 118 Lys HE2 . 17277 1 1501 . 1 1 121 121 LYS HE3 H 1 2.808 0.008 . 1 . . . . 118 Lys HE3 . 17277 1 1502 . 1 1 121 121 LYS HG2 H 1 1.091 0.005 . 1 . . . . 118 Lys HG2 . 17277 1 1503 . 1 1 121 121 LYS HG3 H 1 1.091 0.005 . 1 . . . . 118 Lys HG3 . 17277 1 1504 . 1 1 121 121 LYS C C 13 173.690 0.004 . 1 . . . . 118 Lys C . 17277 1 1505 . 1 1 121 121 LYS CA C 13 54.910 0.029 . 1 . . . . 118 Lys CA . 17277 1 1506 . 1 1 121 121 LYS CB C 13 37.296 0.027 . 1 . . . . 118 Lys CB . 17277 1 1507 . 1 1 121 121 LYS CD C 13 28.081 0.011 . 1 . . . . 118 Lys CD . 17277 1 1508 . 1 1 121 121 LYS CE C 13 41.819 0.001 . 1 . . . . 118 Lys CE . 17277 1 1509 . 1 1 121 121 LYS CG C 13 24.408 0.021 . 1 . . . . 118 Lys CG . 17277 1 1510 . 1 1 121 121 LYS N N 15 116.964 0.041 . 1 . . . . 118 Lys N . 17277 1 1511 . 1 1 122 122 THR H H 1 7.990 0.005 . 1 . . . . 119 Thr H . 17277 1 1512 . 1 1 122 122 THR HA H 1 4.835 0.006 . 1 . . . . 119 Thr HA . 17277 1 1513 . 1 1 122 122 THR HB H 1 3.810 0.004 . 1 . . . . 119 Thr HB . 17277 1 1514 . 1 1 122 122 THR HG21 H 1 1.126 0.009 . 1 . . . . 119 Thr HG21 . 17277 1 1515 . 1 1 122 122 THR HG22 H 1 1.126 0.009 . 1 . . . . 119 Thr HG22 . 17277 1 1516 . 1 1 122 122 THR HG23 H 1 1.126 0.009 . 1 . . . . 119 Thr HG23 . 17277 1 1517 . 1 1 122 122 THR C C 13 173.004 0.006 . 1 . . . . 119 Thr C . 17277 1 1518 . 1 1 122 122 THR CA C 13 62.311 0.026 . 1 . . . . 119 Thr CA . 17277 1 1519 . 1 1 122 122 THR CB C 13 70.307 0.084 . 1 . . . . 119 Thr CB . 17277 1 1520 . 1 1 122 122 THR CG2 C 13 21.147 0.003 . 1 . . . . 119 Thr CG2 . 17277 1 1521 . 1 1 122 122 THR N N 15 118.385 0.052 . 1 . . . . 119 Thr N . 17277 1 1522 . 1 1 123 123 TYR H H 1 9.704 0.005 . 1 . . . . 120 Tyr H . 17277 1 1523 . 1 1 123 123 TYR HA H 1 4.609 0.006 . 1 . . . . 120 Tyr HA . 17277 1 1524 . 1 1 123 123 TYR HB2 H 1 2.836 0.010 . 2 . . . . 120 Tyr HB2 . 17277 1 1525 . 1 1 123 123 TYR HB3 H 1 2.758 0.012 . 2 . . . . 120 Tyr HB3 . 17277 1 1526 . 1 1 123 123 TYR HD1 H 1 6.912 0.008 . 3 . . . . 120 Tyr HD1 . 17277 1 1527 . 1 1 123 123 TYR HD2 H 1 6.912 0.008 . 3 . . . . 120 Tyr HD2 . 17277 1 1528 . 1 1 123 123 TYR HE1 H 1 6.584 0.006 . 3 . . . . 120 Tyr HE1 . 17277 1 1529 . 1 1 123 123 TYR HE2 H 1 6.584 0.006 . 3 . . . . 120 Tyr HE2 . 17277 1 1530 . 1 1 123 123 TYR C C 13 173.645 0.000 . 1 . . . . 120 Tyr C . 17277 1 1531 . 1 1 123 123 TYR CA C 13 56.963 0.037 . 1 . . . . 120 Tyr CA . 17277 1 1532 . 1 1 123 123 TYR CB C 13 39.602 0.015 . 1 . . . . 120 Tyr CB . 17277 1 1533 . 1 1 123 123 TYR CD1 C 13 132.966 0.089 . 3 . . . . 120 Tyr CD1 . 17277 1 1534 . 1 1 123 123 TYR CD2 C 13 132.966 0.089 . 3 . . . . 120 Tyr CD2 . 17277 1 1535 . 1 1 123 123 TYR CE1 C 13 118.143 0.079 . 3 . . . . 120 Tyr CE1 . 17277 1 1536 . 1 1 123 123 TYR CE2 C 13 118.143 0.079 . 3 . . . . 120 Tyr CE2 . 17277 1 1537 . 1 1 123 123 TYR N N 15 126.976 0.056 . 1 . . . . 120 Tyr N . 17277 1 1538 . 1 1 124 124 VAL H H 1 8.600 0.007 . 1 . . . . 121 Val H . 17277 1 1539 . 1 1 124 124 VAL HA H 1 4.356 0.005 . 1 . . . . 121 Val HA . 17277 1 1540 . 1 1 124 124 VAL HB H 1 1.975 0.009 . 1 . . . . 121 Val HB . 17277 1 1541 . 1 1 124 124 VAL HG11 H 1 0.911 0.006 . 2 . . . . 121 Val HG11 . 17277 1 1542 . 1 1 124 124 VAL HG12 H 1 0.911 0.006 . 2 . . . . 121 Val HG12 . 17277 1 1543 . 1 1 124 124 VAL HG13 H 1 0.911 0.006 . 2 . . . . 121 Val HG13 . 17277 1 1544 . 1 1 124 124 VAL HG21 H 1 0.821 0.007 . 2 . . . . 121 Val HG21 . 17277 1 1545 . 1 1 124 124 VAL HG22 H 1 0.821 0.007 . 2 . . . . 121 Val HG22 . 17277 1 1546 . 1 1 124 124 VAL HG23 H 1 0.821 0.007 . 2 . . . . 121 Val HG23 . 17277 1 1547 . 1 1 124 124 VAL C C 13 177.474 0.019 . 1 . . . . 121 Val C . 17277 1 1548 . 1 1 124 124 VAL CA C 13 63.051 0.027 . 1 . . . . 121 Val CA . 17277 1 1549 . 1 1 124 124 VAL CB C 13 30.887 0.201 . 1 . . . . 121 Val CB . 17277 1 1550 . 1 1 124 124 VAL CG1 C 13 20.982 0.005 . 2 . . . . 121 Val CG1 . 17277 1 1551 . 1 1 124 124 VAL CG2 C 13 21.462 0.016 . 2 . . . . 121 Val CG2 . 17277 1 1552 . 1 1 124 124 VAL N N 15 125.818 0.042 . 1 . . . . 121 Val N . 17277 1 1553 . 1 1 125 125 GLY H H 1 8.284 0.008 . 1 . . . . 122 Gly H . 17277 1 1554 . 1 1 125 125 GLY HA2 H 1 4.244 0.005 . 2 . . . . 122 Gly HA2 . 17277 1 1555 . 1 1 125 125 GLY HA3 H 1 3.623 0.005 . 2 . . . . 122 Gly HA3 . 17277 1 1556 . 1 1 125 125 GLY C C 13 172.346 0.000 . 1 . . . . 122 Gly C . 17277 1 1557 . 1 1 125 125 GLY CA C 13 44.121 0.022 . 1 . . . . 122 Gly CA . 17277 1 1558 . 1 1 125 125 GLY N N 15 119.034 0.052 . 1 . . . . 122 Gly N . 17277 1 1559 . 1 1 126 126 GLU H H 1 7.994 0.003 . 1 . . . . 123 Glu H . 17277 1 1560 . 1 1 126 126 GLU HA H 1 5.018 0.004 . 1 . . . . 123 Glu HA . 17277 1 1561 . 1 1 126 126 GLU HB2 H 1 2.139 0.009 . 2 . . . . 123 Glu HB2 . 17277 1 1562 . 1 1 126 126 GLU HB3 H 1 1.968 0.009 . 2 . . . . 123 Glu HB3 . 17277 1 1563 . 1 1 126 126 GLU HG2 H 1 2.711 0.008 . 2 . . . . 123 Glu HG2 . 17277 1 1564 . 1 1 126 126 GLU HG3 H 1 2.486 0.005 . 2 . . . . 123 Glu HG3 . 17277 1 1565 . 1 1 126 126 GLU C C 13 176.577 0.000 . 1 . . . . 123 Glu C . 17277 1 1566 . 1 1 126 126 GLU CA C 13 54.723 0.014 . 1 . . . . 123 Glu CA . 17277 1 1567 . 1 1 126 126 GLU CB C 13 30.798 0.061 . 1 . . . . 123 Glu CB . 17277 1 1568 . 1 1 126 126 GLU CG C 13 36.592 0.015 . 1 . . . . 123 Glu CG . 17277 1 1569 . 1 1 126 126 GLU N N 15 120.790 0.041 . 1 . . . . 123 Glu N . 17277 1 1570 . 1 1 127 127 PRO HA H 1 3.982 0.007 . 1 . . . . 124 Pro HA . 17277 1 1571 . 1 1 127 127 PRO HB2 H 1 0.824 0.007 . 2 . . . . 124 Pro HB2 . 17277 1 1572 . 1 1 127 127 PRO HB3 H 1 0.249 0.006 . 2 . . . . 124 Pro HB3 . 17277 1 1573 . 1 1 127 127 PRO HD2 H 1 4.146 0.005 . 2 . . . . 124 Pro HD2 . 17277 1 1574 . 1 1 127 127 PRO HD3 H 1 3.426 0.004 . 2 . . . . 124 Pro HD3 . 17277 1 1575 . 1 1 127 127 PRO HG2 H 1 1.028 0.008 . 2 . . . . 124 Pro HG2 . 17277 1 1576 . 1 1 127 127 PRO HG3 H 1 0.800 0.006 . 2 . . . . 124 Pro HG3 . 17277 1 1577 . 1 1 127 127 PRO C C 13 174.201 0.000 . 1 . . . . 124 Pro C . 17277 1 1578 . 1 1 127 127 PRO CA C 13 61.991 0.011 . 1 . . . . 124 Pro CA . 17277 1 1579 . 1 1 127 127 PRO CB C 13 31.455 0.026 . 1 . . . . 124 Pro CB . 17277 1 1580 . 1 1 127 127 PRO CD C 13 51.287 0.015 . 1 . . . . 124 Pro CD . 17277 1 1581 . 1 1 127 127 PRO CG C 13 26.206 0.010 . 1 . . . . 124 Pro CG . 17277 1 1582 . 1 1 128 128 ASP H H 1 6.734 0.005 . 1 . . . . 125 Asp H . 17277 1 1583 . 1 1 128 128 ASP HA H 1 4.635 0.004 . 1 . . . . 125 Asp HA . 17277 1 1584 . 1 1 128 128 ASP HB2 H 1 2.865 0.005 . 2 . . . . 125 Asp HB2 . 17277 1 1585 . 1 1 128 128 ASP HB3 H 1 2.633 0.007 . 2 . . . . 125 Asp HB3 . 17277 1 1586 . 1 1 128 128 ASP C C 13 177.200 0.000 . 1 . . . . 125 Asp C . 17277 1 1587 . 1 1 128 128 ASP CA C 13 53.072 0.014 . 1 . . . . 125 Asp CA . 17277 1 1588 . 1 1 128 128 ASP CB C 13 40.729 0.064 . 1 . . . . 125 Asp CB . 17277 1 1589 . 1 1 128 128 ASP N N 15 117.908 0.043 . 1 . . . . 125 Asp N . 17277 1 1590 . 1 1 129 129 PHE H H 1 8.967 0.005 . 1 . . . . 126 Phe H . 17277 1 1591 . 1 1 129 129 PHE HA H 1 3.782 0.007 . 1 . . . . 126 Phe HA . 17277 1 1592 . 1 1 129 129 PHE HB2 H 1 2.854 0.004 . 2 . . . . 126 Phe HB2 . 17277 1 1593 . 1 1 129 129 PHE HB3 H 1 2.773 0.008 . 2 . . . . 126 Phe HB3 . 17277 1 1594 . 1 1 129 129 PHE HD1 H 1 7.384 0.007 . 3 . . . . 126 Phe HD1 . 17277 1 1595 . 1 1 129 129 PHE HD2 H 1 7.384 0.007 . 3 . . . . 126 Phe HD2 . 17277 1 1596 . 1 1 129 129 PHE HE1 H 1 7.119 0.013 . 3 . . . . 126 Phe HE1 . 17277 1 1597 . 1 1 129 129 PHE HE2 H 1 7.119 0.013 . 3 . . . . 126 Phe HE2 . 17277 1 1598 . 1 1 129 129 PHE C C 13 177.578 0.031 . 1 . . . . 126 Phe C . 17277 1 1599 . 1 1 129 129 PHE CA C 13 63.500 0.023 . 1 . . . . 126 Phe CA . 17277 1 1600 . 1 1 129 129 PHE CB C 13 38.094 0.016 . 1 . . . . 126 Phe CB . 17277 1 1601 . 1 1 129 129 PHE CD1 C 13 132.784 0.063 . 3 . . . . 126 Phe CD1 . 17277 1 1602 . 1 1 129 129 PHE CD2 C 13 132.784 0.063 . 3 . . . . 126 Phe CD2 . 17277 1 1603 . 1 1 129 129 PHE CE1 C 13 131.526 0.062 . 3 . . . . 126 Phe CE1 . 17277 1 1604 . 1 1 129 129 PHE CE2 C 13 131.526 0.062 . 3 . . . . 126 Phe CE2 . 17277 1 1605 . 1 1 129 129 PHE N N 15 126.706 0.078 . 1 . . . . 126 Phe N . 17277 1 1606 . 1 1 130 130 GLY H H 1 8.315 0.005 . 1 . . . . 127 Gly H . 17277 1 1607 . 1 1 130 130 GLY HA2 H 1 3.891 0.002 . 2 . . . . 127 Gly HA2 . 17277 1 1608 . 1 1 130 130 GLY HA3 H 1 3.736 0.002 . 2 . . . . 127 Gly HA3 . 17277 1 1609 . 1 1 130 130 GLY C C 13 177.117 0.000 . 1 . . . . 127 Gly C . 17277 1 1610 . 1 1 130 130 GLY CA C 13 47.244 0.045 . 1 . . . . 127 Gly CA . 17277 1 1611 . 1 1 130 130 GLY N N 15 109.202 0.041 . 1 . . . . 127 Gly N . 17277 1 1612 . 1 1 131 131 LYS H H 1 7.501 0.005 . 1 . . . . 128 Lys H . 17277 1 1613 . 1 1 131 131 LYS HA H 1 4.165 0.007 . 1 . . . . 128 Lys HA . 17277 1 1614 . 1 1 131 131 LYS HB2 H 1 2.004 0.008 . 2 . . . . 128 Lys HB2 . 17277 1 1615 . 1 1 131 131 LYS HB3 H 1 1.870 0.011 . 2 . . . . 128 Lys HB3 . 17277 1 1616 . 1 1 131 131 LYS HD2 H 1 1.744 0.011 . 1 . . . . 128 Lys HD2 . 17277 1 1617 . 1 1 131 131 LYS HD3 H 1 1.744 0.011 . 1 . . . . 128 Lys HD3 . 17277 1 1618 . 1 1 131 131 LYS HE2 H 1 2.868 0.000 . 1 . . . . 128 Lys HE2 . 17277 1 1619 . 1 1 131 131 LYS HE3 H 1 2.868 0.000 . 1 . . . . 128 Lys HE3 . 17277 1 1620 . 1 1 131 131 LYS HG2 H 1 1.484 0.009 . 1 . . . . 128 Lys HG2 . 17277 1 1621 . 1 1 131 131 LYS HG3 H 1 1.484 0.009 . 1 . . . . 128 Lys HG3 . 17277 1 1622 . 1 1 131 131 LYS C C 13 179.028 0.014 . 1 . . . . 128 Lys C . 17277 1 1623 . 1 1 131 131 LYS CA C 13 58.401 0.032 . 1 . . . . 128 Lys CA . 17277 1 1624 . 1 1 131 131 LYS CB C 13 32.044 0.091 . 1 . . . . 128 Lys CB . 17277 1 1625 . 1 1 131 131 LYS CD C 13 28.975 0.000 . 1 . . . . 128 Lys CD . 17277 1 1626 . 1 1 131 131 LYS CE C 13 41.661 0.000 . 1 . . . . 128 Lys CE . 17277 1 1627 . 1 1 131 131 LYS CG C 13 25.234 0.000 . 1 . . . . 128 Lys CG . 17277 1 1628 . 1 1 131 131 LYS N N 15 123.088 0.047 . 1 . . . . 128 Lys N . 17277 1 1629 . 1 1 132 132 LEU H H 1 8.450 0.008 . 1 . . . . 129 Leu H . 17277 1 1630 . 1 1 132 132 LEU HA H 1 4.198 0.005 . 1 . . . . 129 Leu HA . 17277 1 1631 . 1 1 132 132 LEU HB2 H 1 0.968 0.005 . 2 . . . . 129 Leu HB2 . 17277 1 1632 . 1 1 132 132 LEU HB3 H 1 1.729 0.011 . 2 . . . . 129 Leu HB3 . 17277 1 1633 . 1 1 132 132 LEU HD11 H 1 0.750 0.011 . 2 . . . . 129 Leu HD11 . 17277 1 1634 . 1 1 132 132 LEU HD12 H 1 0.750 0.011 . 2 . . . . 129 Leu HD12 . 17277 1 1635 . 1 1 132 132 LEU HD13 H 1 0.750 0.011 . 2 . . . . 129 Leu HD13 . 17277 1 1636 . 1 1 132 132 LEU HD21 H 1 0.625 0.006 . 2 . . . . 129 Leu HD21 . 17277 1 1637 . 1 1 132 132 LEU HD22 H 1 0.625 0.006 . 2 . . . . 129 Leu HD22 . 17277 1 1638 . 1 1 132 132 LEU HD23 H 1 0.625 0.006 . 2 . . . . 129 Leu HD23 . 17277 1 1639 . 1 1 132 132 LEU HG H 1 1.509 0.005 . 1 . . . . 129 Leu HG . 17277 1 1640 . 1 1 132 132 LEU C C 13 178.201 0.000 . 1 . . . . 129 Leu C . 17277 1 1641 . 1 1 132 132 LEU CA C 13 58.118 0.046 . 1 . . . . 129 Leu CA . 17277 1 1642 . 1 1 132 132 LEU CB C 13 42.082 0.023 . 1 . . . . 129 Leu CB . 17277 1 1643 . 1 1 132 132 LEU CD1 C 13 24.285 0.021 . 2 . . . . 129 Leu CD1 . 17277 1 1644 . 1 1 132 132 LEU CD2 C 13 26.911 0.007 . 2 . . . . 129 Leu CD2 . 17277 1 1645 . 1 1 132 132 LEU CG C 13 27.153 0.012 . 1 . . . . 129 Leu CG . 17277 1 1646 . 1 1 132 132 LEU N N 15 121.734 0.028 . 1 . . . . 129 Leu N . 17277 1 1647 . 1 1 133 133 TYR H H 1 8.428 0.005 . 1 . . . . 130 Tyr H . 17277 1 1648 . 1 1 133 133 TYR HA H 1 4.105 0.006 . 1 . . . . 130 Tyr HA . 17277 1 1649 . 1 1 133 133 TYR HB2 H 1 3.291 0.007 . 1 . . . . 130 Tyr HB2 . 17277 1 1650 . 1 1 133 133 TYR HB3 H 1 3.291 0.007 . 1 . . . . 130 Tyr HB3 . 17277 1 1651 . 1 1 133 133 TYR HD1 H 1 7.202 0.010 . 3 . . . . 130 Tyr HD1 . 17277 1 1652 . 1 1 133 133 TYR HD2 H 1 7.202 0.010 . 3 . . . . 130 Tyr HD2 . 17277 1 1653 . 1 1 133 133 TYR HE1 H 1 7.233 0.009 . 3 . . . . 130 Tyr HE1 . 17277 1 1654 . 1 1 133 133 TYR HE2 H 1 7.233 0.009 . 3 . . . . 130 Tyr HE2 . 17277 1 1655 . 1 1 133 133 TYR C C 13 177.881 0.002 . 1 . . . . 130 Tyr C . 17277 1 1656 . 1 1 133 133 TYR CA C 13 60.674 0.071 . 1 . . . . 130 Tyr CA . 17277 1 1657 . 1 1 133 133 TYR CB C 13 36.836 0.013 . 1 . . . . 130 Tyr CB . 17277 1 1658 . 1 1 133 133 TYR CD1 C 13 132.422 0.095 . 3 . . . . 130 Tyr CD1 . 17277 1 1659 . 1 1 133 133 TYR CD2 C 13 132.422 0.095 . 3 . . . . 130 Tyr CD2 . 17277 1 1660 . 1 1 133 133 TYR CE1 C 13 118.518 0.039 . 3 . . . . 130 Tyr CE1 . 17277 1 1661 . 1 1 133 133 TYR CE2 C 13 118.518 0.039 . 3 . . . . 130 Tyr CE2 . 17277 1 1662 . 1 1 133 133 TYR N N 15 119.610 0.052 . 1 . . . . 130 Tyr N . 17277 1 1663 . 1 1 134 134 GLN H H 1 7.137 0.009 . 1 . . . . 131 Gln H . 17277 1 1664 . 1 1 134 134 GLN HA H 1 4.232 0.007 . 1 . . . . 131 Gln HA . 17277 1 1665 . 1 1 134 134 GLN HB2 H 1 2.276 0.005 . 1 . . . . 131 Gln HB2 . 17277 1 1666 . 1 1 134 134 GLN HB3 H 1 2.276 0.005 . 1 . . . . 131 Gln HB3 . 17277 1 1667 . 1 1 134 134 GLN HE21 H 1 7.454 0.002 . 1 . . . . 131 Gln HE21 . 17277 1 1668 . 1 1 134 134 GLN HE22 H 1 6.867 0.003 . 1 . . . . 131 Gln HE22 . 17277 1 1669 . 1 1 134 134 GLN HG2 H 1 2.630 0.005 . 2 . . . . 131 Gln HG2 . 17277 1 1670 . 1 1 134 134 GLN HG3 H 1 2.458 0.007 . 2 . . . . 131 Gln HG3 . 17277 1 1671 . 1 1 134 134 GLN C C 13 179.284 0.006 . 1 . . . . 131 Gln C . 17277 1 1672 . 1 1 134 134 GLN CA C 13 59.141 0.045 . 1 . . . . 131 Gln CA . 17277 1 1673 . 1 1 134 134 GLN CB C 13 28.344 0.092 . 1 . . . . 131 Gln CB . 17277 1 1674 . 1 1 134 134 GLN CG C 13 34.084 0.010 . 1 . . . . 131 Gln CG . 17277 1 1675 . 1 1 134 134 GLN N N 15 116.463 0.061 . 1 . . . . 131 Gln N . 17277 1 1676 . 1 1 134 134 GLN NE2 N 15 111.912 0.005 . 1 . . . . 131 Gln NE2 . 17277 1 1677 . 1 1 135 135 GLU H H 1 8.284 0.006 . 1 . . . . 132 Glu H . 17277 1 1678 . 1 1 135 135 GLU HA H 1 4.061 0.008 . 1 . . . . 132 Glu HA . 17277 1 1679 . 1 1 135 135 GLU HB2 H 1 2.330 0.012 . 2 . . . . 132 Glu HB2 . 17277 1 1680 . 1 1 135 135 GLU HB3 H 1 1.989 0.018 . 2 . . . . 132 Glu HB3 . 17277 1 1681 . 1 1 135 135 GLU HG2 H 1 2.379 0.015 . 1 . . . . 132 Glu HG2 . 17277 1 1682 . 1 1 135 135 GLU HG3 H 1 2.379 0.015 . 1 . . . . 132 Glu HG3 . 17277 1 1683 . 1 1 135 135 GLU C C 13 180.132 0.020 . 1 . . . . 132 Glu C . 17277 1 1684 . 1 1 135 135 GLU CA C 13 59.141 0.035 . 1 . . . . 132 Glu CA . 17277 1 1685 . 1 1 135 135 GLU CB C 13 29.004 0.179 . 1 . . . . 132 Glu CB . 17277 1 1686 . 1 1 135 135 GLU CG C 13 36.067 0.000 . 1 . . . . 132 Glu CG . 17277 1 1687 . 1 1 135 135 GLU N N 15 121.509 0.059 . 1 . . . . 132 Glu N . 17277 1 1688 . 1 1 136 136 ILE H H 1 8.704 0.006 . 1 . . . . 133 Ile H . 17277 1 1689 . 1 1 136 136 ILE HA H 1 3.427 0.006 . 1 . . . . 133 Ile HA . 17277 1 1690 . 1 1 136 136 ILE HB H 1 1.326 0.008 . 1 . . . . 133 Ile HB . 17277 1 1691 . 1 1 136 136 ILE HD11 H 1 -0.329 0.007 . 1 . . . . 133 Ile HD11 . 17277 1 1692 . 1 1 136 136 ILE HD12 H 1 -0.329 0.007 . 1 . . . . 133 Ile HD12 . 17277 1 1693 . 1 1 136 136 ILE HD13 H 1 -0.329 0.007 . 1 . . . . 133 Ile HD13 . 17277 1 1694 . 1 1 136 136 ILE HG12 H 1 0.414 0.008 . 2 . . . . 133 Ile HG12 . 17277 1 1695 . 1 1 136 136 ILE HG13 H 1 1.684 0.009 . 2 . . . . 133 Ile HG13 . 17277 1 1696 . 1 1 136 136 ILE HG21 H 1 0.156 0.005 . 1 . . . . 133 Ile HG21 . 17277 1 1697 . 1 1 136 136 ILE HG22 H 1 0.156 0.005 . 1 . . . . 133 Ile HG22 . 17277 1 1698 . 1 1 136 136 ILE HG23 H 1 0.156 0.005 . 1 . . . . 133 Ile HG23 . 17277 1 1699 . 1 1 136 136 ILE C C 13 177.730 0.013 . 1 . . . . 133 Ile C . 17277 1 1700 . 1 1 136 136 ILE CA C 13 66.471 0.018 . 1 . . . . 133 Ile CA . 17277 1 1701 . 1 1 136 136 ILE CB C 13 37.881 0.028 . 1 . . . . 133 Ile CB . 17277 1 1702 . 1 1 136 136 ILE CD1 C 13 14.170 0.022 . 1 . . . . 133 Ile CD1 . 17277 1 1703 . 1 1 136 136 ILE CG1 C 13 29.133 0.010 . 1 . . . . 133 Ile CG1 . 17277 1 1704 . 1 1 136 136 ILE CG2 C 13 18.586 0.021 . 1 . . . . 133 Ile CG2 . 17277 1 1705 . 1 1 136 136 ILE N N 15 122.176 0.025 . 1 . . . . 133 Ile N . 17277 1 1706 . 1 1 137 137 ASP H H 1 8.406 0.007 . 1 . . . . 134 Asp H . 17277 1 1707 . 1 1 137 137 ASP HA H 1 4.620 0.007 . 1 . . . . 134 Asp HA . 17277 1 1708 . 1 1 137 137 ASP HB2 H 1 2.993 0.000 . 2 . . . . 134 Asp HB2 . 17277 1 1709 . 1 1 137 137 ASP HB3 H 1 2.774 0.004 . 2 . . . . 134 Asp HB3 . 17277 1 1710 . 1 1 137 137 ASP C C 13 179.292 0.017 . 1 . . . . 134 Asp C . 17277 1 1711 . 1 1 137 137 ASP CA C 13 57.996 0.016 . 1 . . . . 134 Asp CA . 17277 1 1712 . 1 1 137 137 ASP CB C 13 40.695 0.051 . 1 . . . . 134 Asp CB . 17277 1 1713 . 1 1 137 137 ASP N N 15 119.255 0.034 . 1 . . . . 134 Asp N . 17277 1 1714 . 1 1 138 138 THR H H 1 8.292 0.005 . 1 . . . . 135 Thr H . 17277 1 1715 . 1 1 138 138 THR HA H 1 3.966 0.006 . 1 . . . . 135 Thr HA . 17277 1 1716 . 1 1 138 138 THR HB H 1 4.328 0.004 . 1 . . . . 135 Thr HB . 17277 1 1717 . 1 1 138 138 THR HG21 H 1 1.302 0.013 . 1 . . . . 135 Thr HG21 . 17277 1 1718 . 1 1 138 138 THR HG22 H 1 1.302 0.013 . 1 . . . . 135 Thr HG22 . 17277 1 1719 . 1 1 138 138 THR HG23 H 1 1.302 0.013 . 1 . . . . 135 Thr HG23 . 17277 1 1720 . 1 1 138 138 THR C C 13 175.845 0.000 . 1 . . . . 135 Thr C . 17277 1 1721 . 1 1 138 138 THR CA C 13 66.333 0.033 . 1 . . . . 135 Thr CA . 17277 1 1722 . 1 1 138 138 THR CB C 13 69.041 0.006 . 1 . . . . 135 Thr CB . 17277 1 1723 . 1 1 138 138 THR CG2 C 13 22.027 0.022 . 1 . . . . 135 Thr CG2 . 17277 1 1724 . 1 1 138 138 THR N N 15 115.645 0.049 . 1 . . . . 135 Thr N . 17277 1 1725 . 1 1 139 139 ALA H H 1 7.980 0.005 . 1 . . . . 136 Ala H . 17277 1 1726 . 1 1 139 139 ALA HA H 1 4.263 0.006 . 1 . . . . 136 Ala HA . 17277 1 1727 . 1 1 139 139 ALA HB1 H 1 1.576 0.009 . 1 . . . . 136 Ala HB1 . 17277 1 1728 . 1 1 139 139 ALA HB2 H 1 1.576 0.009 . 1 . . . . 136 Ala HB2 . 17277 1 1729 . 1 1 139 139 ALA HB3 H 1 1.576 0.009 . 1 . . . . 136 Ala HB3 . 17277 1 1730 . 1 1 139 139 ALA C C 13 180.127 0.025 . 1 . . . . 136 Ala C . 17277 1 1731 . 1 1 139 139 ALA CA C 13 54.648 0.030 . 1 . . . . 136 Ala CA . 17277 1 1732 . 1 1 139 139 ALA CB C 13 19.056 0.011 . 1 . . . . 136 Ala CB . 17277 1 1733 . 1 1 139 139 ALA N N 15 124.165 0.049 . 1 . . . . 136 Ala N . 17277 1 1734 . 1 1 140 140 TRP H H 1 8.590 0.005 . 1 . . . . 137 Trp H . 17277 1 1735 . 1 1 140 140 TRP HA H 1 4.486 0.008 . 1 . . . . 137 Trp HA . 17277 1 1736 . 1 1 140 140 TRP HB2 H 1 3.598 0.007 . 1 . . . . 137 Trp HB2 . 17277 1 1737 . 1 1 140 140 TRP HB3 H 1 3.598 0.007 . 1 . . . . 137 Trp HB3 . 17277 1 1738 . 1 1 140 140 TRP HD1 H 1 7.462 0.006 . 1 . . . . 137 Trp HD1 . 17277 1 1739 . 1 1 140 140 TRP HE1 H 1 10.242 0.002 . 1 . . . . 137 Trp HE1 . 17277 1 1740 . 1 1 140 140 TRP HE3 H 1 7.718 0.004 . 1 . . . . 137 Trp HE3 . 17277 1 1741 . 1 1 140 140 TRP HH2 H 1 7.241 0.008 . 1 . . . . 137 Trp HH2 . 17277 1 1742 . 1 1 140 140 TRP HZ2 H 1 7.521 0.012 . 1 . . . . 137 Trp HZ2 . 17277 1 1743 . 1 1 140 140 TRP HZ3 H 1 7.194 0.002 . 1 . . . . 137 Trp HZ3 . 17277 1 1744 . 1 1 140 140 TRP C C 13 177.694 0.046 . 1 . . . . 137 Trp C . 17277 1 1745 . 1 1 140 140 TRP CA C 13 59.850 0.027 . 1 . . . . 137 Trp CA . 17277 1 1746 . 1 1 140 140 TRP CB C 13 28.785 0.032 . 1 . . . . 137 Trp CB . 17277 1 1747 . 1 1 140 140 TRP CD1 C 13 127.507 0.060 . 1 . . . . 137 Trp CD1 . 17277 1 1748 . 1 1 140 140 TRP CE3 C 13 121.468 0.079 . 1 . . . . 137 Trp CE3 . 17277 1 1749 . 1 1 140 140 TRP CH2 C 13 124.815 0.000 . 1 . . . . 137 Trp CH2 . 17277 1 1750 . 1 1 140 140 TRP CZ2 C 13 114.760 0.046 . 1 . . . . 137 Trp CZ2 . 17277 1 1751 . 1 1 140 140 TRP CZ3 C 13 122.197 0.000 . 1 . . . . 137 Trp CZ3 . 17277 1 1752 . 1 1 140 140 TRP N N 15 118.289 0.057 . 1 . . . . 137 Trp N . 17277 1 1753 . 1 1 140 140 TRP NE1 N 15 128.952 0.012 . 1 . . . . 137 Trp NE1 . 17277 1 1754 . 1 1 141 141 ARG H H 1 7.837 0.009 . 1 . . . . 138 Arg H . 17277 1 1755 . 1 1 141 141 ARG HA H 1 3.839 0.007 . 1 . . . . 138 Arg HA . 17277 1 1756 . 1 1 141 141 ARG HB2 H 1 1.786 0.002 . 1 . . . . 138 Arg HB2 . 17277 1 1757 . 1 1 141 141 ARG HB3 H 1 1.786 0.002 . 1 . . . . 138 Arg HB3 . 17277 1 1758 . 1 1 141 141 ARG HD2 H 1 3.158 0.000 . 2 . . . . 138 Arg HD2 . 17277 1 1759 . 1 1 141 141 ARG HD3 H 1 3.130 0.000 . 2 . . . . 138 Arg HD3 . 17277 1 1760 . 1 1 141 141 ARG HG2 H 1 1.612 0.011 . 2 . . . . 138 Arg HG2 . 17277 1 1761 . 1 1 141 141 ARG HG3 H 1 1.440 0.000 . 2 . . . . 138 Arg HG3 . 17277 1 1762 . 1 1 141 141 ARG C C 13 176.831 0.019 . 1 . . . . 138 Arg C . 17277 1 1763 . 1 1 141 141 ARG CA C 13 57.543 0.048 . 1 . . . . 138 Arg CA . 17277 1 1764 . 1 1 141 141 ARG CB C 13 30.583 0.109 . 1 . . . . 138 Arg CB . 17277 1 1765 . 1 1 141 141 ARG CD C 13 43.454 0.004 . 1 . . . . 138 Arg CD . 17277 1 1766 . 1 1 141 141 ARG CG C 13 27.694 0.005 . 1 . . . . 138 Arg CG . 17277 1 1767 . 1 1 141 141 ARG N N 15 118.773 0.066 . 1 . . . . 138 Arg N . 17277 1 1768 . 1 1 142 142 ASN H H 1 7.897 0.006 . 1 . . . . 139 Asn H . 17277 1 1769 . 1 1 142 142 ASN HA H 1 4.664 0.004 . 1 . . . . 139 Asn HA . 17277 1 1770 . 1 1 142 142 ASN HB2 H 1 2.893 0.014 . 2 . . . . 139 Asn HB2 . 17277 1 1771 . 1 1 142 142 ASN HB3 H 1 2.870 0.008 . 2 . . . . 139 Asn HB3 . 17277 1 1772 . 1 1 142 142 ASN HD21 H 1 7.669 0.004 . 1 . . . . 139 Asn HD21 . 17277 1 1773 . 1 1 142 142 ASN HD22 H 1 6.968 0.000 . 1 . . . . 139 Asn HD22 . 17277 1 1774 . 1 1 142 142 ASN C C 13 175.608 0.000 . 1 . . . . 139 Asn C . 17277 1 1775 . 1 1 142 142 ASN CA C 13 53.775 0.020 . 1 . . . . 139 Asn CA . 17277 1 1776 . 1 1 142 142 ASN CB C 13 38.673 0.060 . 1 . . . . 139 Asn CB . 17277 1 1777 . 1 1 142 142 ASN N N 15 118.551 0.046 . 1 . . . . 139 Asn N . 17277 1 1778 . 1 1 142 142 ASN ND2 N 15 112.629 0.027 . 1 . . . . 139 Asn ND2 . 17277 1 1779 . 1 1 143 143 SER H H 1 8.294 0.003 . 1 . . . . 140 Ser H . 17277 1 1780 . 1 1 143 143 SER HA H 1 4.460 0.001 . 1 . . . . 140 Ser HA . 17277 1 1781 . 1 1 143 143 SER HB2 H 1 3.884 0.023 . 1 . . . . 140 Ser HB2 . 17277 1 1782 . 1 1 143 143 SER HB3 H 1 3.884 0.023 . 1 . . . . 140 Ser HB3 . 17277 1 1783 . 1 1 143 143 SER C C 13 174.517 0.000 . 1 . . . . 140 Ser C . 17277 1 1784 . 1 1 143 143 SER CA C 13 58.634 0.029 . 1 . . . . 140 Ser CA . 17277 1 1785 . 1 1 143 143 SER CB C 13 63.850 0.063 . 1 . . . . 140 Ser CB . 17277 1 1786 . 1 1 143 143 SER N N 15 117.109 0.050 . 1 . . . . 140 Ser N . 17277 1 1787 . 1 1 144 144 ASP H H 1 8.365 0.003 . 1 . . . . 141 Asp H . 17277 1 1788 . 1 1 144 144 ASP HA H 1 4.589 0.003 . 1 . . . . 141 Asp HA . 17277 1 1789 . 1 1 144 144 ASP HB2 H 1 2.710 0.000 . 2 . . . . 141 Asp HB2 . 17277 1 1790 . 1 1 144 144 ASP HB3 H 1 2.626 0.001 . 2 . . . . 141 Asp HB3 . 17277 1 1791 . 1 1 144 144 ASP C C 13 176.334 0.028 . 1 . . . . 141 Asp C . 17277 1 1792 . 1 1 144 144 ASP CA C 13 54.701 0.024 . 1 . . . . 141 Asp CA . 17277 1 1793 . 1 1 144 144 ASP CB C 13 41.056 0.092 . 1 . . . . 141 Asp CB . 17277 1 1794 . 1 1 144 144 ASP N N 15 122.601 0.030 . 1 . . . . 141 Asp N . 17277 1 1795 . 1 1 145 145 ALA H H 1 8.212 0.003 . 1 . . . . 142 Ala H . 17277 1 1796 . 1 1 145 145 ALA HA H 1 4.248 0.003 . 1 . . . . 142 Ala HA . 17277 1 1797 . 1 1 145 145 ALA HB1 H 1 1.394 0.006 . 1 . . . . 142 Ala HB1 . 17277 1 1798 . 1 1 145 145 ALA HB2 H 1 1.394 0.006 . 1 . . . . 142 Ala HB2 . 17277 1 1799 . 1 1 145 145 ALA HB3 H 1 1.394 0.006 . 1 . . . . 142 Ala HB3 . 17277 1 1800 . 1 1 145 145 ALA C C 13 178.072 0.007 . 1 . . . . 142 Ala C . 17277 1 1801 . 1 1 145 145 ALA CA C 13 53.066 0.041 . 1 . . . . 142 Ala CA . 17277 1 1802 . 1 1 145 145 ALA CB C 13 19.186 0.011 . 1 . . . . 142 Ala CB . 17277 1 1803 . 1 1 145 145 ALA N N 15 123.631 0.036 . 1 . . . . 142 Ala N . 17277 1 1804 . 1 1 146 146 GLU H H 1 8.265 0.007 . 1 . . . . 143 Glu H . 17277 1 1805 . 1 1 146 146 GLU HA H 1 4.236 0.001 . 1 . . . . 143 Glu HA . 17277 1 1806 . 1 1 146 146 GLU HB2 H 1 2.071 0.000 . 2 . . . . 143 Glu HB2 . 17277 1 1807 . 1 1 146 146 GLU HB3 H 1 1.977 0.000 . 2 . . . . 143 Glu HB3 . 17277 1 1808 . 1 1 146 146 GLU HG2 H 1 2.292 0.000 . 1 . . . . 143 Glu HG2 . 17277 1 1809 . 1 1 146 146 GLU HG3 H 1 2.292 0.000 . 1 . . . . 143 Glu HG3 . 17277 1 1810 . 1 1 146 146 GLU C C 13 177.193 0.013 . 1 . . . . 143 Glu C . 17277 1 1811 . 1 1 146 146 GLU CA C 13 56.929 0.026 . 1 . . . . 143 Glu CA . 17277 1 1812 . 1 1 146 146 GLU CB C 13 30.083 0.051 . 1 . . . . 143 Glu CB . 17277 1 1813 . 1 1 146 146 GLU CG C 13 36.381 0.000 . 1 . . . . 143 Glu CG . 17277 1 1814 . 1 1 146 146 GLU N N 15 119.109 0.045 . 1 . . . . 143 Glu N . 17277 1 1815 . 1 1 147 147 GLY H H 1 8.283 0.006 . 1 . . . . 144 Gly H . 17277 1 1816 . 1 1 147 147 GLY HA2 H 1 3.896 0.000 . 1 . . . . 144 Gly HA2 . 17277 1 1817 . 1 1 147 147 GLY HA3 H 1 3.896 0.000 . 1 . . . . 144 Gly HA3 . 17277 1 1818 . 1 1 147 147 GLY C C 13 174.048 0.000 . 1 . . . . 144 Gly C . 17277 1 1819 . 1 1 147 147 GLY CA C 13 45.440 0.033 . 1 . . . . 144 Gly CA . 17277 1 1820 . 1 1 147 147 GLY N N 15 109.015 0.038 . 1 . . . . 144 Gly N . 17277 1 stop_ save_