data_16881 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16881 _Entry.Title ; Solution NMR structure of of Streptomyces coelicolor polyketide cyclase SCO5315: Northeast Structural Genomics Consortium target RR365 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-19 _Entry.Accession_date 2010-04-19 _Entry.Last_release_date 2012-08-02 _Entry.Original_release_date 2012-08-02 _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 'NMR, 20 STRUCTURES' _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 John Cort . R. . 16881 2 Theresa Ramelot . A. . 16881 3 Keyang Ding . . . 16881 4 Huang Wang . . . 16881 5 Mei Jiang . . . 16881 6 Melissa Maglaqui . . . 16881 7 Rong Xiao . . . 16881 8 Rajesh Nair . . . 16881 9 Michael Baran . C. . 16881 10 John Everett . K. . 16881 11 G.V.T. Swapna . . . 16881 12 Thomas Acton . B. . 16881 13 Burkhard Rost . . . 16881 14 Gaetano Montelione . T. . 16881 15 Michael Kennedy . A. . 16881 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' 'Northeast Structural Genomics Consortium' . 16881 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ARO/CYC . 16881 aromatase/cyclase . 16881 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16881 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 654 16881 '15N chemical shifts' 175 16881 '1H chemical shifts' 992 16881 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 . . 2012-08-02 2010-04-19 original author . 16881 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KF2 'BMRB Entry Tracking System' 16881 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16881 _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 NMR Structure of Streptomyces coelicolor polyketide cyclase SCO5315' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 John Cort . R. . 16881 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16881 _Assembly.ID 1 _Assembly.Name 'polyketide cyclase SCO5315' _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 SCO5315 1 $SCO5315 A . yes native no no . . . 16881 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SCO5315 _Entity.Sf_category entity _Entity.Sf_framecode SCO5315 _Entity.Entry_ID 16881 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'polyketide cyclase SCO5315' _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 ; MAGHTDNEITIAAPMELVWT MTNDIEKWPGLFSEYASVEV LGRDDDKVTFRLTMHPDADG KVWSWVSERVADPVTRTVRA QRVETGPFQYMNIVWEYAET AEGTVMRWTQDFAMKPDAPV DDAWMTDNINRNSRTQMALI RDRIEQAAGERRTASVLADL EHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'The entity was found to have Thr at position 20, whereas the translated gene sequence has Asn at position 20.' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19262 _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 2KF2 . "Solution Nmr Structure Of Of Streptomyces Coelicolor Polyketide Cyclase Sco5315. Northeast Structural Genomics Consortium Targe" . . . . . 100.00 167 100.00 100.00 1.77e-118 . . . . 16881 1 2 no PDB 3TL1 . "Crystal Structure Of The Streptomyces Coelicolor Whie Orfvi Polyketide AromataseCYCLASE" . . . . . 95.21 159 99.37 99.37 2.27e-110 . . . . 16881 1 3 no PDB 3TVR . "Crystal Structure Of Streptomyces Coelicolor Polyketide AromataseCYCLASE WHIE-Orfvi" . . . . . 95.21 173 99.37 99.37 6.74e-110 . . . . 16881 1 4 no EMBL CAA39411 . "putative polyketide cyclase [Streptomyces coelicolor]" . . . . . 95.21 159 99.37 99.37 2.27e-110 . . . . 16881 1 5 no EMBL CAB45609 . "polyketide cyclase [Streptomyces coelicolor A3(2)]" . . . . . 95.21 159 99.37 99.37 2.27e-110 . . . . 16881 1 6 no GB AIJ13352 . "Putative polyketide cyclase [Streptomyces lividans TK24]" . . . . . 95.21 159 99.37 99.37 2.27e-110 . . . . 16881 1 7 no GB EFD66728 . "polyketide cyclase [Streptomyces lividans TK24]" . . . . . 95.21 159 99.37 99.37 2.27e-110 . . . . 16881 1 8 no GB EHN75821 . "polyketide cyclase [Streptomyces coelicoflavus ZG0656]" . . . . . 95.21 159 99.37 99.37 2.27e-110 . . . . 16881 1 9 no GB EOY50317 . "Aromatase WhiE VI [Streptomyces lividans 1326]" . . . . . 95.21 159 99.37 99.37 2.27e-110 . . . . 16881 1 10 no GB KKD16437 . "polyketide cyclase [Streptomyces sp. WM6391]" . . . . . 95.21 159 99.37 99.37 2.27e-110 . . . . 16881 1 11 no REF NP_629457 . "polyketide cyclase [Streptomyces coelicolor A3(2)]" . . . . . 95.21 159 99.37 99.37 2.27e-110 . . . . 16881 1 12 no REF WP_003973657 . "MULTISPECIES: polyketide cyclase [Streptomyces]" . . . . . 95.21 159 99.37 99.37 2.27e-110 . . . . 16881 1 13 no REF WP_030402767 . "MULTISPECIES: polyketide cyclase [Streptomyces]" . . . . . 95.21 159 97.48 97.48 4.46e-107 . . . . 16881 1 14 no REF WP_031043275 . "polyketide cyclase [Streptomyces sp. NRRL F-5650]" . . . . . 95.21 159 98.11 98.74 9.94e-109 . . . . 16881 1 15 no REF WP_054099034 . "polyketide cyclase [Streptomyces sp. NRRL WC-3753]" . . . . . 95.21 159 98.74 98.74 3.64e-109 . . . . 16881 1 16 no SP P23154 . "RecName: Full=Putative polyketide cyclase; AltName: Full=WhiE ORF VI" . . . . . 95.21 159 99.37 99.37 2.27e-110 . . . . 16881 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'polyketide aromatase/cyclase' 16881 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 . 16881 1 2 . ALA . 16881 1 3 . GLY . 16881 1 4 . HIS . 16881 1 5 . THR . 16881 1 6 . ASP . 16881 1 7 . ASN . 16881 1 8 . GLU . 16881 1 9 . ILE . 16881 1 10 . THR . 16881 1 11 . ILE . 16881 1 12 . ALA . 16881 1 13 . ALA . 16881 1 14 . PRO . 16881 1 15 . MET . 16881 1 16 . GLU . 16881 1 17 . LEU . 16881 1 18 . VAL . 16881 1 19 . TRP . 16881 1 20 . THR . 16881 1 21 . MET . 16881 1 22 . THR . 16881 1 23 . ASN . 16881 1 24 . ASP . 16881 1 25 . ILE . 16881 1 26 . GLU . 16881 1 27 . LYS . 16881 1 28 . TRP . 16881 1 29 . PRO . 16881 1 30 . GLY . 16881 1 31 . LEU . 16881 1 32 . PHE . 16881 1 33 . SER . 16881 1 34 . GLU . 16881 1 35 . TYR . 16881 1 36 . ALA . 16881 1 37 . SER . 16881 1 38 . VAL . 16881 1 39 . GLU . 16881 1 40 . VAL . 16881 1 41 . LEU . 16881 1 42 . GLY . 16881 1 43 . ARG . 16881 1 44 . ASP . 16881 1 45 . ASP . 16881 1 46 . ASP . 16881 1 47 . LYS . 16881 1 48 . VAL . 16881 1 49 . THR . 16881 1 50 . PHE . 16881 1 51 . ARG . 16881 1 52 . LEU . 16881 1 53 . THR . 16881 1 54 . MET . 16881 1 55 . HIS . 16881 1 56 . PRO . 16881 1 57 . ASP . 16881 1 58 . ALA . 16881 1 59 . ASP . 16881 1 60 . GLY . 16881 1 61 . LYS . 16881 1 62 . VAL . 16881 1 63 . TRP . 16881 1 64 . SER . 16881 1 65 . TRP . 16881 1 66 . VAL . 16881 1 67 . SER . 16881 1 68 . GLU . 16881 1 69 . ARG . 16881 1 70 . VAL . 16881 1 71 . ALA . 16881 1 72 . ASP . 16881 1 73 . PRO . 16881 1 74 . VAL . 16881 1 75 . THR . 16881 1 76 . ARG . 16881 1 77 . THR . 16881 1 78 . VAL . 16881 1 79 . ARG . 16881 1 80 . ALA . 16881 1 81 . GLN . 16881 1 82 . ARG . 16881 1 83 . VAL . 16881 1 84 . GLU . 16881 1 85 . THR . 16881 1 86 . GLY . 16881 1 87 . PRO . 16881 1 88 . PHE . 16881 1 89 . GLN . 16881 1 90 . TYR . 16881 1 91 . MET . 16881 1 92 . ASN . 16881 1 93 . ILE . 16881 1 94 . VAL . 16881 1 95 . TRP . 16881 1 96 . GLU . 16881 1 97 . TYR . 16881 1 98 . ALA . 16881 1 99 . GLU . 16881 1 100 . THR . 16881 1 101 . ALA . 16881 1 102 . GLU . 16881 1 103 . GLY . 16881 1 104 . THR . 16881 1 105 . VAL . 16881 1 106 . MET . 16881 1 107 . ARG . 16881 1 108 . TRP . 16881 1 109 . THR . 16881 1 110 . GLN . 16881 1 111 . ASP . 16881 1 112 . PHE . 16881 1 113 . ALA . 16881 1 114 . MET . 16881 1 115 . LYS . 16881 1 116 . PRO . 16881 1 117 . ASP . 16881 1 118 . ALA . 16881 1 119 . PRO . 16881 1 120 . VAL . 16881 1 121 . ASP . 16881 1 122 . ASP . 16881 1 123 . ALA . 16881 1 124 . TRP . 16881 1 125 . MET . 16881 1 126 . THR . 16881 1 127 . ASP . 16881 1 128 . ASN . 16881 1 129 . ILE . 16881 1 130 . ASN . 16881 1 131 . ARG . 16881 1 132 . ASN . 16881 1 133 . SER . 16881 1 134 . ARG . 16881 1 135 . THR . 16881 1 136 . GLN . 16881 1 137 . MET . 16881 1 138 . ALA . 16881 1 139 . LEU . 16881 1 140 . ILE . 16881 1 141 . ARG . 16881 1 142 . ASP . 16881 1 143 . ARG . 16881 1 144 . ILE . 16881 1 145 . GLU . 16881 1 146 . GLN . 16881 1 147 . ALA . 16881 1 148 . ALA . 16881 1 149 . GLY . 16881 1 150 . GLU . 16881 1 151 . ARG . 16881 1 152 . ARG . 16881 1 153 . THR . 16881 1 154 . ALA . 16881 1 155 . SER . 16881 1 156 . VAL . 16881 1 157 . LEU . 16881 1 158 . ALA . 16881 1 159 . ASP . 16881 1 160 . LEU . 16881 1 161 . GLU . 16881 1 162 . HIS . 16881 1 163 . HIS . 16881 1 164 . HIS . 16881 1 165 . HIS . 16881 1 166 . HIS . 16881 1 167 . HIS . 16881 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 16881 1 . ALA 2 2 16881 1 . GLY 3 3 16881 1 . HIS 4 4 16881 1 . THR 5 5 16881 1 . ASP 6 6 16881 1 . ASN 7 7 16881 1 . GLU 8 8 16881 1 . ILE 9 9 16881 1 . THR 10 10 16881 1 . ILE 11 11 16881 1 . ALA 12 12 16881 1 . ALA 13 13 16881 1 . PRO 14 14 16881 1 . MET 15 15 16881 1 . GLU 16 16 16881 1 . LEU 17 17 16881 1 . VAL 18 18 16881 1 . TRP 19 19 16881 1 . THR 20 20 16881 1 . MET 21 21 16881 1 . THR 22 22 16881 1 . ASN 23 23 16881 1 . ASP 24 24 16881 1 . ILE 25 25 16881 1 . GLU 26 26 16881 1 . LYS 27 27 16881 1 . TRP 28 28 16881 1 . PRO 29 29 16881 1 . GLY 30 30 16881 1 . LEU 31 31 16881 1 . PHE 32 32 16881 1 . SER 33 33 16881 1 . GLU 34 34 16881 1 . TYR 35 35 16881 1 . ALA 36 36 16881 1 . SER 37 37 16881 1 . VAL 38 38 16881 1 . GLU 39 39 16881 1 . VAL 40 40 16881 1 . LEU 41 41 16881 1 . GLY 42 42 16881 1 . ARG 43 43 16881 1 . ASP 44 44 16881 1 . ASP 45 45 16881 1 . ASP 46 46 16881 1 . LYS 47 47 16881 1 . VAL 48 48 16881 1 . THR 49 49 16881 1 . PHE 50 50 16881 1 . ARG 51 51 16881 1 . LEU 52 52 16881 1 . THR 53 53 16881 1 . MET 54 54 16881 1 . HIS 55 55 16881 1 . PRO 56 56 16881 1 . ASP 57 57 16881 1 . ALA 58 58 16881 1 . ASP 59 59 16881 1 . GLY 60 60 16881 1 . LYS 61 61 16881 1 . VAL 62 62 16881 1 . TRP 63 63 16881 1 . SER 64 64 16881 1 . TRP 65 65 16881 1 . VAL 66 66 16881 1 . SER 67 67 16881 1 . GLU 68 68 16881 1 . ARG 69 69 16881 1 . VAL 70 70 16881 1 . ALA 71 71 16881 1 . ASP 72 72 16881 1 . PRO 73 73 16881 1 . VAL 74 74 16881 1 . THR 75 75 16881 1 . ARG 76 76 16881 1 . THR 77 77 16881 1 . VAL 78 78 16881 1 . ARG 79 79 16881 1 . ALA 80 80 16881 1 . GLN 81 81 16881 1 . ARG 82 82 16881 1 . VAL 83 83 16881 1 . GLU 84 84 16881 1 . THR 85 85 16881 1 . GLY 86 86 16881 1 . PRO 87 87 16881 1 . PHE 88 88 16881 1 . GLN 89 89 16881 1 . TYR 90 90 16881 1 . MET 91 91 16881 1 . ASN 92 92 16881 1 . ILE 93 93 16881 1 . VAL 94 94 16881 1 . TRP 95 95 16881 1 . GLU 96 96 16881 1 . TYR 97 97 16881 1 . ALA 98 98 16881 1 . GLU 99 99 16881 1 . THR 100 100 16881 1 . ALA 101 101 16881 1 . GLU 102 102 16881 1 . GLY 103 103 16881 1 . THR 104 104 16881 1 . VAL 105 105 16881 1 . MET 106 106 16881 1 . ARG 107 107 16881 1 . TRP 108 108 16881 1 . THR 109 109 16881 1 . GLN 110 110 16881 1 . ASP 111 111 16881 1 . PHE 112 112 16881 1 . ALA 113 113 16881 1 . MET 114 114 16881 1 . LYS 115 115 16881 1 . PRO 116 116 16881 1 . ASP 117 117 16881 1 . ALA 118 118 16881 1 . PRO 119 119 16881 1 . VAL 120 120 16881 1 . ASP 121 121 16881 1 . ASP 122 122 16881 1 . ALA 123 123 16881 1 . TRP 124 124 16881 1 . MET 125 125 16881 1 . THR 126 126 16881 1 . ASP 127 127 16881 1 . ASN 128 128 16881 1 . ILE 129 129 16881 1 . ASN 130 130 16881 1 . ARG 131 131 16881 1 . ASN 132 132 16881 1 . SER 133 133 16881 1 . ARG 134 134 16881 1 . THR 135 135 16881 1 . GLN 136 136 16881 1 . MET 137 137 16881 1 . ALA 138 138 16881 1 . LEU 139 139 16881 1 . ILE 140 140 16881 1 . ARG 141 141 16881 1 . ASP 142 142 16881 1 . ARG 143 143 16881 1 . ILE 144 144 16881 1 . GLU 145 145 16881 1 . GLN 146 146 16881 1 . ALA 147 147 16881 1 . ALA 148 148 16881 1 . GLY 149 149 16881 1 . GLU 150 150 16881 1 . ARG 151 151 16881 1 . ARG 152 152 16881 1 . THR 153 153 16881 1 . ALA 154 154 16881 1 . SER 155 155 16881 1 . VAL 156 156 16881 1 . LEU 157 157 16881 1 . ALA 158 158 16881 1 . ASP 159 159 16881 1 . LEU 160 160 16881 1 . GLU 161 161 16881 1 . HIS 162 162 16881 1 . HIS 163 163 16881 1 . HIS 164 164 16881 1 . HIS 165 165 16881 1 . HIS 166 166 16881 1 . HIS 167 167 16881 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 16881 _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 $SCO5315 . 1902 organism . 'Streptomyces coelicolor' 'Streptomyces coelicolor' . . Bacteria . Streptomyces coelicolor A3(2) . . . . . . . . . . . . . . . SCO5315 . . . . 16881 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 16881 _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 $SCO5315 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)+Magic . . . . . . . . . . . . . . . pET21-23C . . . . . . 16881 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16881 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-99% 15N]' . . 1 $SCO5315 . . 1 . . mM . . . . 16881 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16881 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16881 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16881 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16881 1 6 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16881 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16881 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16881 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16881 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16881 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $SCO5315 . . 1 . . mM . . . . 16881 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 16881 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16881 2 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16881 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16881 2 6 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16881 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16881 2 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16881 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 16881 _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' 112 . mM 16881 1 pH 6.5 . pH 16881 1 pressure 1 . atm 16881 1 temperature 293 . K 16881 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16881 _Software.ID 1 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16881 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16881 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16881 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Felix NMR Inc.' . . 16881 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16881 2 processing 16881 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16881 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16881 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16881 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16881 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16881 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16881 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16881 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16881 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16881 5 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16881 _Software.ID 6 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16881 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16881 6 'structure solution' 16881 6 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16881 _Software.ID 7 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16881 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16881 7 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 16881 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Instrument at Miami University, Ohio' _NMR_spectrometer.Manufacturer Varianr _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 16881 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Instrument at Miami University, Ohio' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 16881 _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 Varianr INOVA . 600 'Instrument at Miami University, Ohio' . . 16881 1 2 spectrometer_2 Bruker DMX . 850 'Instrument at Miami University, Ohio' . . 16881 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 16881 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16881 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16881 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16881 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16881 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16881 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16881 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16881 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16881 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16881 1 10 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16881 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16881 1 12 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16881 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16881 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16881 1 15 '4D-1H-13C-13C-1H HMQC-NOESY-HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16881 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 16881 _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 . . . . . . . . . 16881 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16881 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16881 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 16881 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16881 1 2 '2D 1H-13C HSQC' . . . 16881 1 3 '3D CBCA(CO)NH' . . . 16881 1 4 '3D HNCACB' . . . 16881 1 5 '3D HBHA(CO)NH' . . . 16881 1 6 '3D HN(CO)CA' . . . 16881 1 7 '3D HNCA' . . . 16881 1 8 '3D H(CCO)NH' . . . 16881 1 9 '3D C(CO)NH' . . . 16881 1 10 '3D HNHA' . . . 16881 1 11 '3D HCCH-TOCSY' . . . 16881 1 12 '3D HNCO' . . . 16881 1 13 '3D 1H-15N NOESY' . . . 16881 1 14 '3D 1H-13C NOESY' . . . 16881 1 15 '4D-1H-13C-13C-1H HMQC-NOESY-HMQC' . . . 16881 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 $Felix . . 16881 1 3 $NMRPipe . . 16881 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.09 0.02 . 1 . . . . 2 ALA HA . 16881 1 2 . 1 1 2 2 ALA HB1 H 1 1.53 0.02 . 1 . . . . 2 ALA HB . 16881 1 3 . 1 1 2 2 ALA HB2 H 1 1.53 0.02 . 1 . . . . 2 ALA HB . 16881 1 4 . 1 1 2 2 ALA HB3 H 1 1.53 0.02 . 1 . . . . 2 ALA HB . 16881 1 5 . 1 1 2 2 ALA C C 13 173.2 0.2 . 1 . . . . 2 ALA C . 16881 1 6 . 1 1 2 2 ALA CA C 13 51.9 0.2 . 1 . . . . 2 ALA CA . 16881 1 7 . 1 1 2 2 ALA CB C 13 19.7 0.2 . 1 . . . . 2 ALA CB . 16881 1 8 . 1 1 3 3 GLY H H 1 8.50 0.02 . 1 . . . . 3 GLY H . 16881 1 9 . 1 1 3 3 GLY HA2 H 1 4.24 0.02 . 2 . . . . 3 GLY HA2 . 16881 1 10 . 1 1 3 3 GLY HA3 H 1 4.27 0.02 . 2 . . . . 3 GLY HA3 . 16881 1 11 . 1 1 3 3 GLY C C 13 172.2 0.2 . 1 . . . . 3 GLY C . 16881 1 12 . 1 1 3 3 GLY CA C 13 44.0 0.2 . 1 . . . . 3 GLY CA . 16881 1 13 . 1 1 3 3 GLY N N 15 106.8 0.2 . 1 . . . . 3 GLY N . 16881 1 14 . 1 1 4 4 HIS H H 1 8.16 0.02 . 1 . . . . 4 HIS H . 16881 1 15 . 1 1 4 4 HIS HA H 1 5.73 0.02 . 1 . . . . 4 HIS HA . 16881 1 16 . 1 1 4 4 HIS HB2 H 1 3.01 0.02 . 2 . . . . 4 HIS HB2 . 16881 1 17 . 1 1 4 4 HIS HB3 H 1 3.09 0.02 . 2 . . . . 4 HIS HB3 . 16881 1 18 . 1 1 4 4 HIS HD2 H 1 7.15 0.02 . 1 . . . . 4 HIS HD2 . 16881 1 19 . 1 1 4 4 HIS C C 13 173.2 0.2 . 1 . . . . 4 HIS C . 16881 1 20 . 1 1 4 4 HIS CA C 13 55.0 0.2 . 1 . . . . 4 HIS CA . 16881 1 21 . 1 1 4 4 HIS CB C 13 31.6 0.2 . 1 . . . . 4 HIS CB . 16881 1 22 . 1 1 4 4 HIS N N 15 121.5 0.2 . 1 . . . . 4 HIS N . 16881 1 23 . 1 1 5 5 THR H H 1 8.96 0.02 . 1 . . . . 5 THR H . 16881 1 24 . 1 1 5 5 THR HA H 1 4.63 0.02 . 1 . . . . 5 THR HA . 16881 1 25 . 1 1 5 5 THR HB H 1 4.20 0.02 . 1 . . . . 5 THR HB . 16881 1 26 . 1 1 5 5 THR HG21 H 1 1.18 0.02 . 1 . . . . 5 THR HG2 . 16881 1 27 . 1 1 5 5 THR HG22 H 1 1.18 0.02 . 1 . . . . 5 THR HG2 . 16881 1 28 . 1 1 5 5 THR HG23 H 1 1.18 0.02 . 1 . . . . 5 THR HG2 . 16881 1 29 . 1 1 5 5 THR C C 13 173.0 0.2 . 1 . . . . 5 THR C . 16881 1 30 . 1 1 5 5 THR CA C 13 60.4 0.2 . 1 . . . . 5 THR CA . 16881 1 31 . 1 1 5 5 THR CB C 13 70.8 0.2 . 1 . . . . 5 THR CB . 16881 1 32 . 1 1 5 5 THR CG2 C 13 22.8 0.2 . 1 . . . . 5 THR CG2 . 16881 1 33 . 1 1 5 5 THR N N 15 118.0 0.2 . 1 . . . . 5 THR N . 16881 1 34 . 1 1 6 6 ASP H H 1 8.54 0.02 . 1 . . . . 6 ASP H . 16881 1 35 . 1 1 6 6 ASP HA H 1 5.20 0.02 . 1 . . . . 6 ASP HA . 16881 1 36 . 1 1 6 6 ASP HB2 H 1 2.41 0.02 . 2 . . . . 6 ASP HB2 . 16881 1 37 . 1 1 6 6 ASP HB3 H 1 2.77 0.02 . 2 . . . . 6 ASP HB3 . 16881 1 38 . 1 1 6 6 ASP C C 13 174.5 0.2 . 1 . . . . 6 ASP C . 16881 1 39 . 1 1 6 6 ASP CA C 13 54.1 0.2 . 1 . . . . 6 ASP CA . 16881 1 40 . 1 1 6 6 ASP CB C 13 43.5 0.2 . 1 . . . . 6 ASP CB . 16881 1 41 . 1 1 6 6 ASP N N 15 120.5 0.2 . 1 . . . . 6 ASP N . 16881 1 42 . 1 1 7 7 ASN H H 1 8.77 0.02 . 1 . . . . 7 ASN H . 16881 1 43 . 1 1 7 7 ASN HA H 1 5.09 0.02 . 1 . . . . 7 ASN HA . 16881 1 44 . 1 1 7 7 ASN HB2 H 1 2.33 0.02 . 2 . . . . 7 ASN HB2 . 16881 1 45 . 1 1 7 7 ASN HB3 H 1 2.43 0.02 . 2 . . . . 7 ASN HB3 . 16881 1 46 . 1 1 7 7 ASN HD21 H 1 7.70 0.02 . 2 . . . . 7 ASN HD21 . 16881 1 47 . 1 1 7 7 ASN HD22 H 1 8.39 0.02 . 2 . . . . 7 ASN HD22 . 16881 1 48 . 1 1 7 7 ASN C C 13 172.4 0.2 . 1 . . . . 7 ASN C . 16881 1 49 . 1 1 7 7 ASN CA C 13 53.1 0.2 . 1 . . . . 7 ASN CA . 16881 1 50 . 1 1 7 7 ASN CB C 13 45.2 0.2 . 1 . . . . 7 ASN CB . 16881 1 51 . 1 1 7 7 ASN CG C 13 177.2 0.2 . 1 . . . . 7 ASN CG . 16881 1 52 . 1 1 7 7 ASN N N 15 122.3 0.2 . 1 . . . . 7 ASN N . 16881 1 53 . 1 1 7 7 ASN ND2 N 15 114.5 0.2 . 1 . . . . 7 ASN ND2 . 16881 1 54 . 1 1 8 8 GLU H H 1 8.62 0.02 . 1 . . . . 8 GLU H . 16881 1 55 . 1 1 8 8 GLU HA H 1 5.28 0.02 . 1 . . . . 8 GLU HA . 16881 1 56 . 1 1 8 8 GLU HB2 H 1 1.68 0.02 . 2 . . . . 8 GLU HB2 . 16881 1 57 . 1 1 8 8 GLU HB3 H 1 1.81 0.02 . 2 . . . . 8 GLU HB3 . 16881 1 58 . 1 1 8 8 GLU HG2 H 1 1.87 0.02 . 2 . . . . 8 GLU HG2 . 16881 1 59 . 1 1 8 8 GLU HG3 H 1 2.01 0.02 . 2 . . . . 8 GLU HG3 . 16881 1 60 . 1 1 8 8 GLU C C 13 173.8 0.2 . 1 . . . . 8 GLU C . 16881 1 61 . 1 1 8 8 GLU CA C 13 54.7 0.2 . 1 . . . . 8 GLU CA . 16881 1 62 . 1 1 8 8 GLU CB C 13 34.0 0.2 . 1 . . . . 8 GLU CB . 16881 1 63 . 1 1 8 8 GLU CG C 13 35.4 0.2 . 1 . . . . 8 GLU CG . 16881 1 64 . 1 1 8 8 GLU N N 15 118.9 0.2 . 1 . . . . 8 GLU N . 16881 1 65 . 1 1 9 9 ILE H H 1 8.52 0.02 . 1 . . . . 9 ILE H . 16881 1 66 . 1 1 9 9 ILE HA H 1 4.46 0.02 . 1 . . . . 9 ILE HA . 16881 1 67 . 1 1 9 9 ILE HB H 1 1.42 0.02 . 1 . . . . 9 ILE HB . 16881 1 68 . 1 1 9 9 ILE HD11 H 1 0.74 0.02 . 1 . . . . 9 ILE HD1 . 16881 1 69 . 1 1 9 9 ILE HD12 H 1 0.74 0.02 . 1 . . . . 9 ILE HD1 . 16881 1 70 . 1 1 9 9 ILE HD13 H 1 0.74 0.02 . 1 . . . . 9 ILE HD1 . 16881 1 71 . 1 1 9 9 ILE HG12 H 1 0.99 0.02 . 2 . . . . 9 ILE HG12 . 16881 1 72 . 1 1 9 9 ILE HG13 H 1 1.48 0.02 . 2 . . . . 9 ILE HG13 . 16881 1 73 . 1 1 9 9 ILE HG21 H 1 0.50 0.02 . 1 . . . . 9 ILE HG2 . 16881 1 74 . 1 1 9 9 ILE HG22 H 1 0.50 0.02 . 1 . . . . 9 ILE HG2 . 16881 1 75 . 1 1 9 9 ILE HG23 H 1 0.50 0.02 . 1 . . . . 9 ILE HG2 . 16881 1 76 . 1 1 9 9 ILE C C 13 171.4 0.2 . 1 . . . . 9 ILE C . 16881 1 77 . 1 1 9 9 ILE CA C 13 59.3 0.2 . 1 . . . . 9 ILE CA . 16881 1 78 . 1 1 9 9 ILE CB C 13 43.3 0.2 . 1 . . . . 9 ILE CB . 16881 1 79 . 1 1 9 9 ILE CD1 C 13 14.2 0.2 . 1 . . . . 9 ILE CD1 . 16881 1 80 . 1 1 9 9 ILE CG1 C 13 29.6 0.2 . 1 . . . . 9 ILE CG1 . 16881 1 81 . 1 1 9 9 ILE CG2 C 13 17.0 0.2 . 1 . . . . 9 ILE CG2 . 16881 1 82 . 1 1 9 9 ILE N N 15 121.5 0.2 . 1 . . . . 9 ILE N . 16881 1 83 . 1 1 10 10 THR H H 1 7.99 0.02 . 1 . . . . 10 THR H . 16881 1 84 . 1 1 10 10 THR HA H 1 4.77 0.02 . 1 . . . . 10 THR HA . 16881 1 85 . 1 1 10 10 THR HB H 1 3.86 0.02 . 1 . . . . 10 THR HB . 16881 1 86 . 1 1 10 10 THR HG21 H 1 0.82 0.02 . 1 . . . . 10 THR HG2 . 16881 1 87 . 1 1 10 10 THR HG22 H 1 0.82 0.02 . 1 . . . . 10 THR HG2 . 16881 1 88 . 1 1 10 10 THR HG23 H 1 0.82 0.02 . 1 . . . . 10 THR HG2 . 16881 1 89 . 1 1 10 10 THR C C 13 173.6 0.2 . 1 . . . . 10 THR C . 16881 1 90 . 1 1 10 10 THR CA C 13 62.4 0.2 . 1 . . . . 10 THR CA . 16881 1 91 . 1 1 10 10 THR CB C 13 68.7 0.2 . 1 . . . . 10 THR CB . 16881 1 92 . 1 1 10 10 THR CG2 C 13 21.7 0.2 . 1 . . . . 10 THR CG2 . 16881 1 93 . 1 1 10 10 THR N N 15 122.1 0.2 . 1 . . . . 10 THR N . 16881 1 94 . 1 1 11 11 ILE H H 1 9.52 0.02 . 1 . . . . 11 ILE H . 16881 1 95 . 1 1 11 11 ILE HA H 1 4.21 0.02 . 1 . . . . 11 ILE HA . 16881 1 96 . 1 1 11 11 ILE HB H 1 1.80 0.02 . 1 . . . . 11 ILE HB . 16881 1 97 . 1 1 11 11 ILE HD11 H 1 0.70 0.02 . 1 . . . . 11 ILE HD1 . 16881 1 98 . 1 1 11 11 ILE HD12 H 1 0.70 0.02 . 1 . . . . 11 ILE HD1 . 16881 1 99 . 1 1 11 11 ILE HD13 H 1 0.70 0.02 . 1 . . . . 11 ILE HD1 . 16881 1 100 . 1 1 11 11 ILE HG12 H 1 0.57 0.02 . 2 . . . . 11 ILE HG12 . 16881 1 101 . 1 1 11 11 ILE HG13 H 1 1.64 0.02 . 2 . . . . 11 ILE HG13 . 16881 1 102 . 1 1 11 11 ILE HG21 H 1 0.92 0.02 . 1 . . . . 11 ILE HG2 . 16881 1 103 . 1 1 11 11 ILE HG22 H 1 0.92 0.02 . 1 . . . . 11 ILE HG2 . 16881 1 104 . 1 1 11 11 ILE HG23 H 1 0.92 0.02 . 1 . . . . 11 ILE HG2 . 16881 1 105 . 1 1 11 11 ILE C C 13 175.2 0.2 . 1 . . . . 11 ILE C . 16881 1 106 . 1 1 11 11 ILE CA C 13 60.3 0.2 . 1 . . . . 11 ILE CA . 16881 1 107 . 1 1 11 11 ILE CB C 13 40.8 0.2 . 1 . . . . 11 ILE CB . 16881 1 108 . 1 1 11 11 ILE CD1 C 13 14.1 0.2 . 1 . . . . 11 ILE CD1 . 16881 1 109 . 1 1 11 11 ILE CG1 C 13 27.7 0.2 . 1 . . . . 11 ILE CG1 . 16881 1 110 . 1 1 11 11 ILE CG2 C 13 18.6 0.2 . 1 . . . . 11 ILE CG2 . 16881 1 111 . 1 1 11 11 ILE N N 15 127.5 0.2 . 1 . . . . 11 ILE N . 16881 1 112 . 1 1 12 12 ALA H H 1 10.70 0.02 . 1 . . . . 12 ALA H . 16881 1 113 . 1 1 12 12 ALA HA H 1 4.76 0.02 . 1 . . . . 12 ALA HA . 16881 1 114 . 1 1 12 12 ALA HB1 H 1 1.23 0.02 . 1 . . . . 12 ALA HB . 16881 1 115 . 1 1 12 12 ALA HB2 H 1 1.23 0.02 . 1 . . . . 12 ALA HB . 16881 1 116 . 1 1 12 12 ALA HB3 H 1 1.23 0.02 . 1 . . . . 12 ALA HB . 16881 1 117 . 1 1 12 12 ALA C C 13 174.6 0.2 . 1 . . . . 12 ALA C . 16881 1 118 . 1 1 12 12 ALA CA C 13 51.2 0.2 . 1 . . . . 12 ALA CA . 16881 1 119 . 1 1 12 12 ALA CB C 13 16.2 0.2 . 1 . . . . 12 ALA CB . 16881 1 120 . 1 1 12 12 ALA N N 15 136.9 0.2 . 1 . . . . 12 ALA N . 16881 1 121 . 1 1 13 13 ALA H H 1 8.56 0.02 . 1 . . . . 13 ALA H . 16881 1 122 . 1 1 13 13 ALA HA H 1 4.68 0.02 . 1 . . . . 13 ALA HA . 16881 1 123 . 1 1 13 13 ALA HB1 H 1 1.14 0.02 . 1 . . . . 13 ALA HB . 16881 1 124 . 1 1 13 13 ALA HB2 H 1 1.14 0.02 . 1 . . . . 13 ALA HB . 16881 1 125 . 1 1 13 13 ALA HB3 H 1 1.14 0.02 . 1 . . . . 13 ALA HB . 16881 1 126 . 1 1 13 13 ALA CA C 13 50.0 0.2 . 1 . . . . 13 ALA CA . 16881 1 127 . 1 1 13 13 ALA CB C 13 21.5 0.2 . 1 . . . . 13 ALA CB . 16881 1 128 . 1 1 13 13 ALA N N 15 123.7 0.2 . 1 . . . . 13 ALA N . 16881 1 129 . 1 1 14 14 PRO HA H 1 4.51 0.02 . 1 . . . . 14 PRO HA . 16881 1 130 . 1 1 14 14 PRO HB2 H 1 2.03 0.02 . 2 . . . . 14 PRO HB2 . 16881 1 131 . 1 1 14 14 PRO HB3 H 1 2.53 0.02 . 2 . . . . 14 PRO HB3 . 16881 1 132 . 1 1 14 14 PRO HD2 H 1 3.40 0.02 . 2 . . . . 14 PRO HD2 . 16881 1 133 . 1 1 14 14 PRO HD3 H 1 3.88 0.02 . 2 . . . . 14 PRO HD3 . 16881 1 134 . 1 1 14 14 PRO C C 13 177.0 0.2 . 1 . . . . 14 PRO C . 16881 1 135 . 1 1 14 14 PRO CA C 13 62.3 0.2 . 1 . . . . 14 PRO CA . 16881 1 136 . 1 1 14 14 PRO CB C 13 32.8 0.2 . 1 . . . . 14 PRO CB . 16881 1 137 . 1 1 14 14 PRO CD C 13 50.9 0.2 . 1 . . . . 14 PRO CD . 16881 1 138 . 1 1 14 14 PRO CG C 13 27.7 0.2 . 1 . . . . 14 PRO CG . 16881 1 139 . 1 1 15 15 MET H H 1 8.81 0.02 . 1 . . . . 15 MET H . 16881 1 140 . 1 1 15 15 MET HA H 1 4.35 0.02 . 1 . . . . 15 MET HA . 16881 1 141 . 1 1 15 15 MET HB2 H 1 2.11 0.02 . 2 . . . . 15 MET HB2 . 16881 1 142 . 1 1 15 15 MET HB3 H 1 2.51 0.02 . 2 . . . . 15 MET HB3 . 16881 1 143 . 1 1 15 15 MET HE1 H 1 1.99 0.02 . 1 . . . . 15 MET HE . 16881 1 144 . 1 1 15 15 MET HE2 H 1 1.99 0.02 . 1 . . . . 15 MET HE . 16881 1 145 . 1 1 15 15 MET HE3 H 1 1.99 0.02 . 1 . . . . 15 MET HE . 16881 1 146 . 1 1 15 15 MET HG2 H 1 1.97 0.02 . 2 . . . . 15 MET HG2 . 16881 1 147 . 1 1 15 15 MET HG3 H 1 2.11 0.02 . 2 . . . . 15 MET HG3 . 16881 1 148 . 1 1 15 15 MET C C 13 177.7 0.2 . 1 . . . . 15 MET C . 16881 1 149 . 1 1 15 15 MET CA C 13 58.8 0.2 . 1 . . . . 15 MET CA . 16881 1 150 . 1 1 15 15 MET CB C 13 31.9 0.2 . 1 . . . . 15 MET CB . 16881 1 151 . 1 1 15 15 MET CE C 13 17.8 0.2 . 1 . . . . 15 MET CE . 16881 1 152 . 1 1 15 15 MET CG C 13 31.6 0.2 . 1 . . . . 15 MET CG . 16881 1 153 . 1 1 15 15 MET N N 15 124.0 0.2 . 1 . . . . 15 MET N . 16881 1 154 . 1 1 16 16 GLU H H 1 9.18 0.02 . 1 . . . . 16 GLU H . 16881 1 155 . 1 1 16 16 GLU HA H 1 4.03 0.02 . 1 . . . . 16 GLU HA . 16881 1 156 . 1 1 16 16 GLU HB2 H 1 1.93 0.02 . 2 . . . . 16 GLU HB2 . 16881 1 157 . 1 1 16 16 GLU HB3 H 1 2.03 0.02 . 2 . . . . 16 GLU HB3 . 16881 1 158 . 1 1 16 16 GLU C C 13 178.8 0.2 . 1 . . . . 16 GLU C . 16881 1 159 . 1 1 16 16 GLU CA C 13 60.2 0.2 . 1 . . . . 16 GLU CA . 16881 1 160 . 1 1 16 16 GLU CB C 13 29.1 0.2 . 1 . . . . 16 GLU CB . 16881 1 161 . 1 1 16 16 GLU CG C 13 35.7 0.2 . 1 . . . . 16 GLU CG . 16881 1 162 . 1 1 16 16 GLU N N 15 117.1 0.2 . 1 . . . . 16 GLU N . 16881 1 163 . 1 1 17 17 LEU H H 1 6.93 0.02 . 1 . . . . 17 LEU H . 16881 1 164 . 1 1 17 17 LEU HA H 1 4.32 0.02 . 1 . . . . 17 LEU HA . 16881 1 165 . 1 1 17 17 LEU HB2 H 1 1.67 0.02 . 2 . . . . 17 LEU HB2 . 16881 1 166 . 1 1 17 17 LEU HB3 H 1 1.79 0.02 . 2 . . . . 17 LEU HB3 . 16881 1 167 . 1 1 17 17 LEU HD11 H 1 0.98 0.02 . 1 . . . . 17 LEU HD1 . 16881 1 168 . 1 1 17 17 LEU HD12 H 1 0.98 0.02 . 1 . . . . 17 LEU HD1 . 16881 1 169 . 1 1 17 17 LEU HD13 H 1 0.98 0.02 . 1 . . . . 17 LEU HD1 . 16881 1 170 . 1 1 17 17 LEU HD21 H 1 0.90 0.02 . 1 . . . . 17 LEU HD2 . 16881 1 171 . 1 1 17 17 LEU HD22 H 1 0.90 0.02 . 1 . . . . 17 LEU HD2 . 16881 1 172 . 1 1 17 17 LEU HD23 H 1 0.90 0.02 . 1 . . . . 17 LEU HD2 . 16881 1 173 . 1 1 17 17 LEU HG H 1 1.13 0.02 . 1 . . . . 17 LEU HG . 16881 1 174 . 1 1 17 17 LEU C C 13 178.4 0.2 . 1 . . . . 17 LEU C . 16881 1 175 . 1 1 17 17 LEU CA C 13 57.8 0.2 . 1 . . . . 17 LEU CA . 16881 1 176 . 1 1 17 17 LEU CB C 13 42.6 0.2 . 1 . . . . 17 LEU CB . 16881 1 177 . 1 1 17 17 LEU CD1 C 13 23.1 0.2 . 1 . . . . 17 LEU CD1 . 16881 1 178 . 1 1 17 17 LEU CD2 C 13 26.0 0.2 . 1 . . . . 17 LEU CD2 . 16881 1 179 . 1 1 17 17 LEU N N 15 120.0 0.2 . 1 . . . . 17 LEU N . 16881 1 180 . 1 1 18 18 VAL H H 1 8.02 0.02 . 1 . . . . 18 VAL H . 16881 1 181 . 1 1 18 18 VAL HA H 1 3.61 0.02 . 1 . . . . 18 VAL HA . 16881 1 182 . 1 1 18 18 VAL HB H 1 2.31 0.02 . 1 . . . . 18 VAL HB . 16881 1 183 . 1 1 18 18 VAL HG11 H 1 1.14 0.02 . 1 . . . . 18 VAL HG1 . 16881 1 184 . 1 1 18 18 VAL HG12 H 1 1.14 0.02 . 1 . . . . 18 VAL HG1 . 16881 1 185 . 1 1 18 18 VAL HG13 H 1 1.14 0.02 . 1 . . . . 18 VAL HG1 . 16881 1 186 . 1 1 18 18 VAL HG21 H 1 1.03 0.02 . 1 . . . . 18 VAL HG2 . 16881 1 187 . 1 1 18 18 VAL HG22 H 1 1.03 0.02 . 1 . . . . 18 VAL HG2 . 16881 1 188 . 1 1 18 18 VAL HG23 H 1 1.03 0.02 . 1 . . . . 18 VAL HG2 . 16881 1 189 . 1 1 18 18 VAL C C 13 179.9 0.2 . 1 . . . . 18 VAL C . 16881 1 190 . 1 1 18 18 VAL CA C 13 67.0 0.2 . 1 . . . . 18 VAL CA . 16881 1 191 . 1 1 18 18 VAL CB C 13 32.6 0.2 . 1 . . . . 18 VAL CB . 16881 1 192 . 1 1 18 18 VAL CG1 C 13 22.1 0.2 . 1 . . . . 18 VAL CG1 . 16881 1 193 . 1 1 18 18 VAL CG2 C 13 23.8 0.2 . 1 . . . . 18 VAL CG2 . 16881 1 194 . 1 1 18 18 VAL N N 15 118.2 0.2 . 1 . . . . 18 VAL N . 16881 1 195 . 1 1 19 19 TRP H H 1 9.81 0.02 . 1 . . . . 19 TRP H . 16881 1 196 . 1 1 19 19 TRP HA H 1 3.55 0.02 . 1 . . . . 19 TRP HA . 16881 1 197 . 1 1 19 19 TRP HB2 H 1 2.80 0.02 . 2 . . . . 19 TRP HB2 . 16881 1 198 . 1 1 19 19 TRP HB3 H 1 3.22 0.02 . 2 . . . . 19 TRP HB3 . 16881 1 199 . 1 1 19 19 TRP HE1 H 1 10.55 0.02 . 1 . . . . 19 TRP HE1 . 16881 1 200 . 1 1 19 19 TRP HZ2 H 1 7.01 0.02 . 1 . . . . 19 TRP HZ2 . 16881 1 201 . 1 1 19 19 TRP C C 13 177.6 0.2 . 1 . . . . 19 TRP C . 16881 1 202 . 1 1 19 19 TRP CA C 13 61.5 0.2 . 1 . . . . 19 TRP CA . 16881 1 203 . 1 1 19 19 TRP CB C 13 28.8 0.2 . 1 . . . . 19 TRP CB . 16881 1 204 . 1 1 19 19 TRP CZ2 C 13 113.5 0.2 . 1 . . . . 19 TRP CZ2 . 16881 1 205 . 1 1 19 19 TRP N N 15 122.4 0.2 . 1 . . . . 19 TRP N . 16881 1 206 . 1 1 19 19 TRP NE1 N 15 132.0 0.2 . 1 . . . . 19 TRP NE1 . 16881 1 207 . 1 1 20 20 THR H H 1 8.48 0.02 . 1 . . . . 20 THR H . 16881 1 208 . 1 1 20 20 THR HA H 1 3.85 0.02 . 1 . . . . 20 THR HA . 16881 1 209 . 1 1 20 20 THR HB H 1 4.30 0.02 . 1 . . . . 20 THR HB . 16881 1 210 . 1 1 20 20 THR HG21 H 1 1.38 0.02 . 1 . . . . 20 THR HG2 . 16881 1 211 . 1 1 20 20 THR HG22 H 1 1.38 0.02 . 1 . . . . 20 THR HG2 . 16881 1 212 . 1 1 20 20 THR HG23 H 1 1.38 0.02 . 1 . . . . 20 THR HG2 . 16881 1 213 . 1 1 20 20 THR C C 13 177.7 0.2 . 1 . . . . 20 THR C . 16881 1 214 . 1 1 20 20 THR CA C 13 66.7 0.2 . 1 . . . . 20 THR CA . 16881 1 215 . 1 1 20 20 THR CB C 13 68.9 0.2 . 1 . . . . 20 THR CB . 16881 1 216 . 1 1 20 20 THR CG2 C 13 21.7 0.2 . 1 . . . . 20 THR CG2 . 16881 1 217 . 1 1 20 20 THR N N 15 114.2 0.2 . 1 . . . . 20 THR N . 16881 1 218 . 1 1 21 21 MET H H 1 8.65 0.02 . 1 . . . . 21 MET H . 16881 1 219 . 1 1 21 21 MET HA H 1 4.31 0.02 . 1 . . . . 21 MET HA . 16881 1 220 . 1 1 21 21 MET HB2 H 1 1.95 0.02 . 2 . . . . 21 MET HB2 . 16881 1 221 . 1 1 21 21 MET HB3 H 1 2.01 0.02 . 2 . . . . 21 MET HB3 . 16881 1 222 . 1 1 21 21 MET HE1 H 1 1.97 0.02 . 1 . . . . 21 MET HE . 16881 1 223 . 1 1 21 21 MET HE2 H 1 1.97 0.02 . 1 . . . . 21 MET HE . 16881 1 224 . 1 1 21 21 MET HE3 H 1 1.97 0.02 . 1 . . . . 21 MET HE . 16881 1 225 . 1 1 21 21 MET HG2 H 1 2.58 0.02 . 2 . . . . 21 MET HG2 . 16881 1 226 . 1 1 21 21 MET HG3 H 1 2.89 0.02 . 2 . . . . 21 MET HG3 . 16881 1 227 . 1 1 21 21 MET C C 13 179.6 0.2 . 1 . . . . 21 MET C . 16881 1 228 . 1 1 21 21 MET CA C 13 60.6 0.2 . 1 . . . . 21 MET CA . 16881 1 229 . 1 1 21 21 MET CB C 13 33.0 0.2 . 1 . . . . 21 MET CB . 16881 1 230 . 1 1 21 21 MET CE C 13 16.0 0.2 . 1 . . . . 21 MET CE . 16881 1 231 . 1 1 21 21 MET CG C 13 33.4 0.2 . 1 . . . . 21 MET CG . 16881 1 232 . 1 1 21 21 MET N N 15 117.4 0.2 . 1 . . . . 21 MET N . 16881 1 233 . 1 1 22 22 THR H H 1 7.84 0.02 . 1 . . . . 22 THR H . 16881 1 234 . 1 1 22 22 THR HA H 1 4.20 0.02 . 1 . . . . 22 THR HA . 16881 1 235 . 1 1 22 22 THR HB H 1 4.59 0.02 . 1 . . . . 22 THR HB . 16881 1 236 . 1 1 22 22 THR HG21 H 1 1.36 0.02 . 1 . . . . 22 THR HG2 . 16881 1 237 . 1 1 22 22 THR HG22 H 1 1.36 0.02 . 1 . . . . 22 THR HG2 . 16881 1 238 . 1 1 22 22 THR HG23 H 1 1.36 0.02 . 1 . . . . 22 THR HG2 . 16881 1 239 . 1 1 22 22 THR C C 13 175.3 0.2 . 1 . . . . 22 THR C . 16881 1 240 . 1 1 22 22 THR CA C 13 65.2 0.2 . 1 . . . . 22 THR CA . 16881 1 241 . 1 1 22 22 THR CB C 13 69.8 0.2 . 1 . . . . 22 THR CB . 16881 1 242 . 1 1 22 22 THR CG2 C 13 23.2 0.2 . 1 . . . . 22 THR CG2 . 16881 1 243 . 1 1 22 22 THR N N 15 104.0 0.2 . 1 . . . . 22 THR N . 16881 1 244 . 1 1 23 23 ASN H H 1 7.02 0.02 . 1 . . . . 23 ASN H . 16881 1 245 . 1 1 23 23 ASN HA H 1 4.84 0.02 . 1 . . . . 23 ASN HA . 16881 1 246 . 1 1 23 23 ASN HB2 H 1 2.05 0.02 . 2 . . . . 23 ASN HB2 . 16881 1 247 . 1 1 23 23 ASN HB3 H 1 2.44 0.02 . 2 . . . . 23 ASN HB3 . 16881 1 248 . 1 1 23 23 ASN HD21 H 1 4.26 0.02 . 2 . . . . 23 ASN HD21 . 16881 1 249 . 1 1 23 23 ASN HD22 H 1 6.02 0.02 . 2 . . . . 23 ASN HD22 . 16881 1 250 . 1 1 23 23 ASN C C 13 173.2 0.2 . 1 . . . . 23 ASN C . 16881 1 251 . 1 1 23 23 ASN CA C 13 54.8 0.2 . 1 . . . . 23 ASN CA . 16881 1 252 . 1 1 23 23 ASN CB C 13 38.6 0.2 . 1 . . . . 23 ASN CB . 16881 1 253 . 1 1 23 23 ASN CG C 13 176.5 0.2 . 1 . . . . 23 ASN CG . 16881 1 254 . 1 1 23 23 ASN N N 15 115.5 0.2 . 1 . . . . 23 ASN N . 16881 1 255 . 1 1 23 23 ASN ND2 N 15 110.5 0.2 . 1 . . . . 23 ASN ND2 . 16881 1 256 . 1 1 24 24 ASP H H 1 7.00 0.02 . 1 . . . . 24 ASP H . 16881 1 257 . 1 1 24 24 ASP HA H 1 4.63 0.02 . 1 . . . . 24 ASP HA . 16881 1 258 . 1 1 24 24 ASP HB2 H 1 2.65 0.02 . 2 . . . . 24 ASP HB2 . 16881 1 259 . 1 1 24 24 ASP HB3 H 1 3.06 0.02 . 2 . . . . 24 ASP HB3 . 16881 1 260 . 1 1 24 24 ASP C C 13 177.0 0.2 . 1 . . . . 24 ASP C . 16881 1 261 . 1 1 24 24 ASP CA C 13 52.2 0.2 . 1 . . . . 24 ASP CA . 16881 1 262 . 1 1 24 24 ASP CB C 13 37.9 0.2 . 1 . . . . 24 ASP CB . 16881 1 263 . 1 1 24 24 ASP N N 15 121.4 0.2 . 1 . . . . 24 ASP N . 16881 1 264 . 1 1 25 25 ILE H H 1 6.91 0.02 . 1 . . . . 25 ILE H . 16881 1 265 . 1 1 25 25 ILE HA H 1 1.72 0.02 . 1 . . . . 25 ILE HA . 16881 1 266 . 1 1 25 25 ILE HB H 1 0.06 0.02 . 1 . . . . 25 ILE HB . 16881 1 267 . 1 1 25 25 ILE HD11 H 1 -0.36 0.02 . 1 . . . . 25 ILE HD1 . 16881 1 268 . 1 1 25 25 ILE HD12 H 1 -0.36 0.02 . 1 . . . . 25 ILE HD1 . 16881 1 269 . 1 1 25 25 ILE HD13 H 1 -0.36 0.02 . 1 . . . . 25 ILE HD1 . 16881 1 270 . 1 1 25 25 ILE HG12 H 1 0.24 0.02 . 2 . . . . 25 ILE HG12 . 16881 1 271 . 1 1 25 25 ILE HG13 H 1 0.32 0.02 . 2 . . . . 25 ILE HG13 . 16881 1 272 . 1 1 25 25 ILE HG21 H 1 -0.36 0.02 . 1 . . . . 25 ILE HG2 . 16881 1 273 . 1 1 25 25 ILE HG22 H 1 -0.36 0.02 . 1 . . . . 25 ILE HG2 . 16881 1 274 . 1 1 25 25 ILE HG23 H 1 -0.36 0.02 . 1 . . . . 25 ILE HG2 . 16881 1 275 . 1 1 25 25 ILE C C 13 177.1 0.2 . 1 . . . . 25 ILE C . 16881 1 276 . 1 1 25 25 ILE CA C 13 64.2 0.2 . 1 . . . . 25 ILE CA . 16881 1 277 . 1 1 25 25 ILE CB C 13 36.2 0.2 . 1 . . . . 25 ILE CB . 16881 1 278 . 1 1 25 25 ILE CD1 C 13 13.3 0.2 . 1 . . . . 25 ILE CD1 . 16881 1 279 . 1 1 25 25 ILE CG1 C 13 25.5 0.2 . 1 . . . . 25 ILE CG1 . 16881 1 280 . 1 1 25 25 ILE CG2 C 13 16.9 0.2 . 1 . . . . 25 ILE CG2 . 16881 1 281 . 1 1 25 25 ILE N N 15 119.7 0.2 . 1 . . . . 25 ILE N . 16881 1 282 . 1 1 26 26 GLU H H 1 8.40 0.02 . 1 . . . . 26 GLU H . 16881 1 283 . 1 1 26 26 GLU HA H 1 3.74 0.02 . 1 . . . . 26 GLU HA . 16881 1 284 . 1 1 26 26 GLU HB2 H 1 1.85 0.02 . 2 . . . . 26 GLU HB2 . 16881 1 285 . 1 1 26 26 GLU HB3 H 1 2.04 0.02 . 2 . . . . 26 GLU HB3 . 16881 1 286 . 1 1 26 26 GLU HG2 H 1 2.05 0.02 . 2 . . . . 26 GLU HG2 . 16881 1 287 . 1 1 26 26 GLU HG3 H 1 2.13 0.02 . 2 . . . . 26 GLU HG3 . 16881 1 288 . 1 1 26 26 GLU C C 13 177.8 0.2 . 1 . . . . 26 GLU C . 16881 1 289 . 1 1 26 26 GLU CA C 13 59.1 0.2 . 1 . . . . 26 GLU CA . 16881 1 290 . 1 1 26 26 GLU CB C 13 29.6 0.2 . 1 . . . . 26 GLU CB . 16881 1 291 . 1 1 26 26 GLU CG C 13 38.1 0.2 . 1 . . . . 26 GLU CG . 16881 1 292 . 1 1 26 26 GLU N N 15 117.7 0.2 . 1 . . . . 26 GLU N . 16881 1 293 . 1 1 27 27 LYS H H 1 7.62 0.02 . 1 . . . . 27 LYS H . 16881 1 294 . 1 1 27 27 LYS HA H 1 4.64 0.02 . 1 . . . . 27 LYS HA . 16881 1 295 . 1 1 27 27 LYS HB2 H 1 1.80 0.02 . 2 . . . . 27 LYS HB2 . 16881 1 296 . 1 1 27 27 LYS HB3 H 1 2.24 0.02 . 2 . . . . 27 LYS HB3 . 16881 1 297 . 1 1 27 27 LYS HG2 H 1 1.24 0.02 . 2 . . . . 27 LYS HG2 . 16881 1 298 . 1 1 27 27 LYS HG3 H 1 1.46 0.02 . 2 . . . . 27 LYS HG3 . 16881 1 299 . 1 1 27 27 LYS CA C 13 55.2 0.2 . 1 . . . . 27 LYS CA . 16881 1 300 . 1 1 27 27 LYS CB C 13 32.6 0.2 . 1 . . . . 27 LYS CB . 16881 1 301 . 1 1 27 27 LYS CD C 13 28.5 0.2 . 1 . . . . 27 LYS CD . 16881 1 302 . 1 1 27 27 LYS CE C 13 42.0 0.2 . 1 . . . . 27 LYS CE . 16881 1 303 . 1 1 27 27 LYS CG C 13 25.4 0.2 . 1 . . . . 27 LYS CG . 16881 1 304 . 1 1 27 27 LYS N N 15 115.2 0.2 . 1 . . . . 27 LYS N . 16881 1 305 . 1 1 28 28 TRP H H 1 8.12 0.02 . 1 . . . . 28 TRP H . 16881 1 306 . 1 1 28 28 TRP HA H 1 5.02 0.02 . 1 . . . . 28 TRP HA . 16881 1 307 . 1 1 28 28 TRP HB2 H 1 3.19 0.02 . 2 . . . . 28 TRP HB2 . 16881 1 308 . 1 1 28 28 TRP HB3 H 1 3.68 0.02 . 2 . . . . 28 TRP HB3 . 16881 1 309 . 1 1 28 28 TRP HD1 H 1 7.12 0.02 . 1 . . . . 28 TRP HD1 . 16881 1 310 . 1 1 28 28 TRP HE1 H 1 10.16 0.02 . 1 . . . . 28 TRP HE1 . 16881 1 311 . 1 1 28 28 TRP HE3 H 1 6.95 0.02 . 1 . . . . 28 TRP HE3 . 16881 1 312 . 1 1 28 28 TRP HH2 H 1 6.49 0.02 . 1 . . . . 28 TRP HH2 . 16881 1 313 . 1 1 28 28 TRP HZ2 H 1 7.20 0.02 . 1 . . . . 28 TRP HZ2 . 16881 1 314 . 1 1 28 28 TRP HZ3 H 1 6.60 0.02 . 1 . . . . 28 TRP HZ3 . 16881 1 315 . 1 1 28 28 TRP CA C 13 60.2 0.2 . 1 . . . . 28 TRP CA . 16881 1 316 . 1 1 28 28 TRP CB C 13 28.4 0.2 . 1 . . . . 28 TRP CB . 16881 1 317 . 1 1 28 28 TRP CD1 C 13 123.0 0.2 . 1 . . . . 28 TRP CD1 . 16881 1 318 . 1 1 28 28 TRP CE3 C 13 120.1 0.2 . 1 . . . . 28 TRP CE3 . 16881 1 319 . 1 1 28 28 TRP CH2 C 13 123.6 0.2 . 1 . . . . 28 TRP CH2 . 16881 1 320 . 1 1 28 28 TRP CZ2 C 13 115.4 0.2 . 1 . . . . 28 TRP CZ2 . 16881 1 321 . 1 1 28 28 TRP CZ3 C 13 121.3 0.2 . 1 . . . . 28 TRP CZ3 . 16881 1 322 . 1 1 28 28 TRP N N 15 122.6 0.2 . 1 . . . . 28 TRP N . 16881 1 323 . 1 1 28 28 TRP NE1 N 15 125.0 0.2 . 1 . . . . 28 TRP NE1 . 16881 1 324 . 1 1 29 29 PRO HA H 1 4.74 0.02 . 1 . . . . 29 PRO HA . 16881 1 325 . 1 1 29 29 PRO HB2 H 1 1.84 0.02 . 2 . . . . 29 PRO HB2 . 16881 1 326 . 1 1 29 29 PRO HB3 H 1 2.45 0.02 . 2 . . . . 29 PRO HB3 . 16881 1 327 . 1 1 29 29 PRO HD2 H 1 3.54 0.02 . 2 . . . . 29 PRO HD2 . 16881 1 328 . 1 1 29 29 PRO HD3 H 1 3.66 0.02 . 2 . . . . 29 PRO HD3 . 16881 1 329 . 1 1 29 29 PRO HG2 H 1 1.33 0.02 . 2 . . . . 29 PRO HG2 . 16881 1 330 . 1 1 29 29 PRO HG3 H 1 1.37 0.02 . 2 . . . . 29 PRO HG3 . 16881 1 331 . 1 1 29 29 PRO C C 13 176.2 0.2 . 1 . . . . 29 PRO C . 16881 1 332 . 1 1 29 29 PRO CA C 13 66.2 0.2 . 1 . . . . 29 PRO CA . 16881 1 333 . 1 1 29 29 PRO CB C 13 30.7 0.2 . 1 . . . . 29 PRO CB . 16881 1 334 . 1 1 29 29 PRO CD C 13 51.1 0.2 . 1 . . . . 29 PRO CD . 16881 1 335 . 1 1 29 29 PRO CG C 13 29.2 0.2 . 1 . . . . 29 PRO CG . 16881 1 336 . 1 1 30 30 GLY H H 1 7.81 0.02 . 1 . . . . 30 GLY H . 16881 1 337 . 1 1 30 30 GLY HA2 H 1 3.87 0.02 . 2 . . . . 30 GLY HA2 . 16881 1 338 . 1 1 30 30 GLY HA3 H 1 4.30 0.02 . 2 . . . . 30 GLY HA3 . 16881 1 339 . 1 1 30 30 GLY C C 13 173.9 0.2 . 1 . . . . 30 GLY C . 16881 1 340 . 1 1 30 30 GLY CA C 13 45.3 0.2 . 1 . . . . 30 GLY CA . 16881 1 341 . 1 1 30 30 GLY N N 15 102.8 0.2 . 1 . . . . 30 GLY N . 16881 1 342 . 1 1 31 31 LEU H H 1 8.10 0.02 . 1 . . . . 31 LEU H . 16881 1 343 . 1 1 31 31 LEU HA H 1 4.36 0.02 . 1 . . . . 31 LEU HA . 16881 1 344 . 1 1 31 31 LEU HB2 H 1 1.68 0.02 . 2 . . . . 31 LEU HB2 . 16881 1 345 . 1 1 31 31 LEU HB3 H 1 1.74 0.02 . 2 . . . . 31 LEU HB3 . 16881 1 346 . 1 1 31 31 LEU HD11 H 1 0.89 0.02 . 1 . . . . 31 LEU HD1 . 16881 1 347 . 1 1 31 31 LEU HD12 H 1 0.89 0.02 . 1 . . . . 31 LEU HD1 . 16881 1 348 . 1 1 31 31 LEU HD13 H 1 0.89 0.02 . 1 . . . . 31 LEU HD1 . 16881 1 349 . 1 1 31 31 LEU HD21 H 1 0.82 0.02 . 1 . . . . 31 LEU HD2 . 16881 1 350 . 1 1 31 31 LEU HD22 H 1 0.82 0.02 . 1 . . . . 31 LEU HD2 . 16881 1 351 . 1 1 31 31 LEU HD23 H 1 0.82 0.02 . 1 . . . . 31 LEU HD2 . 16881 1 352 . 1 1 31 31 LEU HG H 1 1.59 0.02 . 1 . . . . 31 LEU HG . 16881 1 353 . 1 1 31 31 LEU C C 13 175.6 0.2 . 1 . . . . 31 LEU C . 16881 1 354 . 1 1 31 31 LEU CA C 13 56.6 0.2 . 1 . . . . 31 LEU CA . 16881 1 355 . 1 1 31 31 LEU CB C 13 44.6 0.2 . 1 . . . . 31 LEU CB . 16881 1 356 . 1 1 31 31 LEU CD1 C 13 24.2 0.2 . 1 . . . . 31 LEU CD1 . 16881 1 357 . 1 1 31 31 LEU CD2 C 13 24.9 0.2 . 1 . . . . 31 LEU CD2 . 16881 1 358 . 1 1 31 31 LEU CG C 13 26.7 0.2 . 1 . . . . 31 LEU CG . 16881 1 359 . 1 1 31 31 LEU N N 15 123.3 0.2 . 1 . . . . 31 LEU N . 16881 1 360 . 1 1 32 32 PHE H H 1 8.20 0.02 . 1 . . . . 32 PHE H . 16881 1 361 . 1 1 32 32 PHE HA H 1 4.48 0.02 . 1 . . . . 32 PHE HA . 16881 1 362 . 1 1 32 32 PHE HB2 H 1 2.68 0.02 . 2 . . . . 32 PHE HB2 . 16881 1 363 . 1 1 32 32 PHE HB3 H 1 2.90 0.02 . 2 . . . . 32 PHE HB3 . 16881 1 364 . 1 1 32 32 PHE HD1 H 1 7.14 0.02 . 3 . . . . 32 PHE HD1 . 16881 1 365 . 1 1 32 32 PHE HE1 H 1 6.46 0.02 . 3 . . . . 32 PHE HE1 . 16881 1 366 . 1 1 32 32 PHE HZ H 1 6.58 0.02 . 1 . . . . 32 PHE HZ . 16881 1 367 . 1 1 32 32 PHE C C 13 176.3 0.2 . 1 . . . . 32 PHE C . 16881 1 368 . 1 1 32 32 PHE CA C 13 57.4 0.2 . 1 . . . . 32 PHE CA . 16881 1 369 . 1 1 32 32 PHE CB C 13 40.1 0.2 . 1 . . . . 32 PHE CB . 16881 1 370 . 1 1 32 32 PHE CD1 C 13 132.6 0.2 . 3 . . . . 32 PHE CD1 . 16881 1 371 . 1 1 32 32 PHE CE1 C 13 130.4 0.2 . 3 . . . . 32 PHE CE1 . 16881 1 372 . 1 1 32 32 PHE CZ C 13 128.6 0.2 . 1 . . . . 32 PHE CZ . 16881 1 373 . 1 1 32 32 PHE N N 15 115.1 0.2 . 1 . . . . 32 PHE N . 16881 1 374 . 1 1 33 33 SER H H 1 9.01 0.02 . 1 . . . . 33 SER H . 16881 1 375 . 1 1 33 33 SER HA H 1 4.68 0.02 . 1 . . . . 33 SER HA . 16881 1 376 . 1 1 33 33 SER HB2 H 1 3.75 0.02 . 2 . . . . 33 SER HB2 . 16881 1 377 . 1 1 33 33 SER HB3 H 1 4.02 0.02 . 2 . . . . 33 SER HB3 . 16881 1 378 . 1 1 33 33 SER C C 13 176.3 0.2 . 1 . . . . 33 SER C . 16881 1 379 . 1 1 33 33 SER CA C 13 59.8 0.2 . 1 . . . . 33 SER CA . 16881 1 380 . 1 1 33 33 SER CB C 13 64.3 0.2 . 1 . . . . 33 SER CB . 16881 1 381 . 1 1 33 33 SER N N 15 114.9 0.2 . 1 . . . . 33 SER N . 16881 1 382 . 1 1 34 34 GLU H H 1 7.87 0.02 . 1 . . . . 34 GLU H . 16881 1 383 . 1 1 34 34 GLU HA H 1 4.38 0.02 . 1 . . . . 34 GLU HA . 16881 1 384 . 1 1 34 34 GLU HB2 H 1 1.74 0.02 . 2 . . . . 34 GLU HB2 . 16881 1 385 . 1 1 34 34 GLU HG2 H 1 1.90 0.02 . 2 . . . . 34 GLU HG2 . 16881 1 386 . 1 1 34 34 GLU HG3 H 1 1.97 0.02 . 2 . . . . 34 GLU HG3 . 16881 1 387 . 1 1 34 34 GLU C C 13 176.2 0.2 . 1 . . . . 34 GLU C . 16881 1 388 . 1 1 34 34 GLU CA C 13 57.8 0.2 . 1 . . . . 34 GLU CA . 16881 1 389 . 1 1 34 34 GLU CB C 13 30.8 0.2 . 1 . . . . 34 GLU CB . 16881 1 390 . 1 1 34 34 GLU CG C 13 35.7 0.2 . 1 . . . . 34 GLU CG . 16881 1 391 . 1 1 34 34 GLU N N 15 118.7 0.2 . 1 . . . . 34 GLU N . 16881 1 392 . 1 1 35 35 TYR H H 1 7.66 0.02 . 1 . . . . 35 TYR H . 16881 1 393 . 1 1 35 35 TYR HA H 1 4.87 0.02 . 1 . . . . 35 TYR HA . 16881 1 394 . 1 1 35 35 TYR HB2 H 1 2.64 0.02 . 2 . . . . 35 TYR HB2 . 16881 1 395 . 1 1 35 35 TYR HB3 H 1 2.77 0.02 . 2 . . . . 35 TYR HB3 . 16881 1 396 . 1 1 35 35 TYR HD1 H 1 6.58 0.02 . 3 . . . . 35 TYR HD1 . 16881 1 397 . 1 1 35 35 TYR HE1 H 1 6.07 0.02 . 3 . . . . 35 TYR HE1 . 16881 1 398 . 1 1 35 35 TYR C C 13 174.2 0.2 . 1 . . . . 35 TYR C . 16881 1 399 . 1 1 35 35 TYR CA C 13 55.4 0.2 . 1 . . . . 35 TYR CA . 16881 1 400 . 1 1 35 35 TYR CB C 13 38.4 0.2 . 1 . . . . 35 TYR CB . 16881 1 401 . 1 1 35 35 TYR CD1 C 13 131.4 0.2 . 3 . . . . 35 TYR CD1 . 16881 1 402 . 1 1 35 35 TYR CE1 C 13 119.2 0.2 . 3 . . . . 35 TYR CE1 . 16881 1 403 . 1 1 35 35 TYR N N 15 116.9 0.2 . 1 . . . . 35 TYR N . 16881 1 404 . 1 1 36 36 ALA H H 1 8.85 0.02 . 1 . . . . 36 ALA H . 16881 1 405 . 1 1 36 36 ALA HA H 1 3.90 0.02 . 1 . . . . 36 ALA HA . 16881 1 406 . 1 1 36 36 ALA HB1 H 1 0.79 0.02 . 1 . . . . 36 ALA HB . 16881 1 407 . 1 1 36 36 ALA HB2 H 1 0.79 0.02 . 1 . . . . 36 ALA HB . 16881 1 408 . 1 1 36 36 ALA HB3 H 1 0.79 0.02 . 1 . . . . 36 ALA HB . 16881 1 409 . 1 1 36 36 ALA C C 13 178.2 0.2 . 1 . . . . 36 ALA C . 16881 1 410 . 1 1 36 36 ALA CA C 13 53.1 0.2 . 1 . . . . 36 ALA CA . 16881 1 411 . 1 1 36 36 ALA CB C 13 19.8 0.2 . 1 . . . . 36 ALA CB . 16881 1 412 . 1 1 36 36 ALA N N 15 126.2 0.2 . 1 . . . . 36 ALA N . 16881 1 413 . 1 1 37 37 SER H H 1 7.66 0.02 . 1 . . . . 37 SER H . 16881 1 414 . 1 1 37 37 SER HA H 1 4.50 0.02 . 1 . . . . 37 SER HA . 16881 1 415 . 1 1 37 37 SER HB2 H 1 3.67 0.02 . 2 . . . . 37 SER HB2 . 16881 1 416 . 1 1 37 37 SER HB3 H 1 3.73 0.02 . 2 . . . . 37 SER HB3 . 16881 1 417 . 1 1 37 37 SER C C 13 171.6 0.2 . 1 . . . . 37 SER C . 16881 1 418 . 1 1 37 37 SER CA C 13 57.7 0.2 . 1 . . . . 37 SER CA . 16881 1 419 . 1 1 37 37 SER CB C 13 65.2 0.2 . 1 . . . . 37 SER CB . 16881 1 420 . 1 1 37 37 SER N N 15 107.2 0.2 . 1 . . . . 37 SER N . 16881 1 421 . 1 1 38 38 VAL H H 1 8.46 0.02 . 1 . . . . 38 VAL H . 16881 1 422 . 1 1 38 38 VAL HA H 1 4.71 0.02 . 1 . . . . 38 VAL HA . 16881 1 423 . 1 1 38 38 VAL HB H 1 1.78 0.02 . 1 . . . . 38 VAL HB . 16881 1 424 . 1 1 38 38 VAL HG11 H 1 0.45 0.02 . 1 . . . . 38 VAL HG1 . 16881 1 425 . 1 1 38 38 VAL HG12 H 1 0.45 0.02 . 1 . . . . 38 VAL HG1 . 16881 1 426 . 1 1 38 38 VAL HG13 H 1 0.45 0.02 . 1 . . . . 38 VAL HG1 . 16881 1 427 . 1 1 38 38 VAL HG21 H 1 0.86 0.02 . 1 . . . . 38 VAL HG2 . 16881 1 428 . 1 1 38 38 VAL HG22 H 1 0.86 0.02 . 1 . . . . 38 VAL HG2 . 16881 1 429 . 1 1 38 38 VAL HG23 H 1 0.86 0.02 . 1 . . . . 38 VAL HG2 . 16881 1 430 . 1 1 38 38 VAL C C 13 173.9 0.2 . 1 . . . . 38 VAL C . 16881 1 431 . 1 1 38 38 VAL CA C 13 61.5 0.2 . 1 . . . . 38 VAL CA . 16881 1 432 . 1 1 38 38 VAL CB C 13 35.4 0.2 . 1 . . . . 38 VAL CB . 16881 1 433 . 1 1 38 38 VAL CG1 C 13 20.7 0.2 . 1 . . . . 38 VAL CG1 . 16881 1 434 . 1 1 38 38 VAL CG2 C 13 21.4 0.2 . 1 . . . . 38 VAL CG2 . 16881 1 435 . 1 1 38 38 VAL N N 15 121.4 0.2 . 1 . . . . 38 VAL N . 16881 1 436 . 1 1 39 39 GLU H H 1 8.54 0.02 . 1 . . . . 39 GLU H . 16881 1 437 . 1 1 39 39 GLU HA H 1 4.67 0.02 . 1 . . . . 39 GLU HA . 16881 1 438 . 1 1 39 39 GLU HB2 H 1 1.75 0.02 . 2 . . . . 39 GLU HB2 . 16881 1 439 . 1 1 39 39 GLU HB3 H 1 1.89 0.02 . 2 . . . . 39 GLU HB3 . 16881 1 440 . 1 1 39 39 GLU HG2 H 1 1.96 0.02 . 2 . . . . 39 GLU HG2 . 16881 1 441 . 1 1 39 39 GLU HG3 H 1 2.10 0.02 . 2 . . . . 39 GLU HG3 . 16881 1 442 . 1 1 39 39 GLU C C 13 175.5 0.2 . 1 . . . . 39 GLU C . 16881 1 443 . 1 1 39 39 GLU CA C 13 54.0 0.2 . 1 . . . . 39 GLU CA . 16881 1 444 . 1 1 39 39 GLU CB C 13 33.6 0.2 . 1 . . . . 39 GLU CB . 16881 1 445 . 1 1 39 39 GLU CG C 13 35.7 0.2 . 1 . . . . 39 GLU CG . 16881 1 446 . 1 1 39 39 GLU N N 15 125.6 0.2 . 1 . . . . 39 GLU N . 16881 1 447 . 1 1 40 40 VAL H H 1 9.40 0.02 . 1 . . . . 40 VAL H . 16881 1 448 . 1 1 40 40 VAL HA H 1 3.79 0.02 . 1 . . . . 40 VAL HA . 16881 1 449 . 1 1 40 40 VAL HB H 1 1.99 0.02 . 1 . . . . 40 VAL HB . 16881 1 450 . 1 1 40 40 VAL HG11 H 1 0.84 0.02 . 1 . . . . 40 VAL HG1 . 16881 1 451 . 1 1 40 40 VAL HG12 H 1 0.84 0.02 . 1 . . . . 40 VAL HG1 . 16881 1 452 . 1 1 40 40 VAL HG13 H 1 0.84 0.02 . 1 . . . . 40 VAL HG1 . 16881 1 453 . 1 1 40 40 VAL HG21 H 1 0.71 0.02 . 1 . . . . 40 VAL HG2 . 16881 1 454 . 1 1 40 40 VAL HG22 H 1 0.71 0.02 . 1 . . . . 40 VAL HG2 . 16881 1 455 . 1 1 40 40 VAL HG23 H 1 0.71 0.02 . 1 . . . . 40 VAL HG2 . 16881 1 456 . 1 1 40 40 VAL C C 13 175.8 0.2 . 1 . . . . 40 VAL C . 16881 1 457 . 1 1 40 40 VAL CA C 13 64.7 0.2 . 1 . . . . 40 VAL CA . 16881 1 458 . 1 1 40 40 VAL CB C 13 31.3 0.2 . 1 . . . . 40 VAL CB . 16881 1 459 . 1 1 40 40 VAL CG1 C 13 21.3 0.2 . 1 . . . . 40 VAL CG1 . 16881 1 460 . 1 1 40 40 VAL CG2 C 13 21.7 0.2 . 1 . . . . 40 VAL CG2 . 16881 1 461 . 1 1 40 40 VAL N N 15 127.4 0.2 . 1 . . . . 40 VAL N . 16881 1 462 . 1 1 41 41 LEU H H 1 9.15 0.02 . 1 . . . . 41 LEU H . 16881 1 463 . 1 1 41 41 LEU HA H 1 4.41 0.02 . 1 . . . . 41 LEU HA . 16881 1 464 . 1 1 41 41 LEU HB2 H 1 1.29 0.02 . 2 . . . . 41 LEU HB2 . 16881 1 465 . 1 1 41 41 LEU HB3 H 1 1.55 0.02 . 2 . . . . 41 LEU HB3 . 16881 1 466 . 1 1 41 41 LEU HD11 H 1 0.77 0.02 . 1 . . . . 41 LEU HD1 . 16881 1 467 . 1 1 41 41 LEU HD12 H 1 0.77 0.02 . 1 . . . . 41 LEU HD1 . 16881 1 468 . 1 1 41 41 LEU HD13 H 1 0.77 0.02 . 1 . . . . 41 LEU HD1 . 16881 1 469 . 1 1 41 41 LEU HD21 H 1 0.69 0.02 . 1 . . . . 41 LEU HD2 . 16881 1 470 . 1 1 41 41 LEU HD22 H 1 0.69 0.02 . 1 . . . . 41 LEU HD2 . 16881 1 471 . 1 1 41 41 LEU HD23 H 1 0.69 0.02 . 1 . . . . 41 LEU HD2 . 16881 1 472 . 1 1 41 41 LEU C C 13 177.5 0.2 . 1 . . . . 41 LEU C . 16881 1 473 . 1 1 41 41 LEU CA C 13 55.1 0.2 . 1 . . . . 41 LEU CA . 16881 1 474 . 1 1 41 41 LEU CB C 13 42.6 0.2 . 1 . . . . 41 LEU CB . 16881 1 475 . 1 1 41 41 LEU CD1 C 13 26.4 0.2 . 1 . . . . 41 LEU CD1 . 16881 1 476 . 1 1 41 41 LEU CD2 C 13 22.4 0.2 . 1 . . . . 41 LEU CD2 . 16881 1 477 . 1 1 41 41 LEU CG C 13 27.3 0.2 . 1 . . . . 41 LEU CG . 16881 1 478 . 1 1 41 41 LEU N N 15 129.8 0.2 . 1 . . . . 41 LEU N . 16881 1 479 . 1 1 42 42 GLY H H 1 7.67 0.02 . 1 . . . . 42 GLY H . 16881 1 480 . 1 1 42 42 GLY HA2 H 1 3.97 0.02 . 2 . . . . 42 GLY HA2 . 16881 1 481 . 1 1 42 42 GLY HA3 H 1 4.11 0.02 . 2 . . . . 42 GLY HA3 . 16881 1 482 . 1 1 42 42 GLY C C 13 171.8 0.2 . 1 . . . . 42 GLY C . 16881 1 483 . 1 1 42 42 GLY CA C 13 45.9 0.2 . 1 . . . . 42 GLY CA . 16881 1 484 . 1 1 42 42 GLY N N 15 106.5 0.2 . 1 . . . . 42 GLY N . 16881 1 485 . 1 1 43 43 ARG H H 1 8.30 0.02 . 1 . . . . 43 ARG H . 16881 1 486 . 1 1 43 43 ARG HA H 1 5.04 0.02 . 1 . . . . 43 ARG HA . 16881 1 487 . 1 1 43 43 ARG HB2 H 1 1.67 0.02 . 2 . . . . 43 ARG HB2 . 16881 1 488 . 1 1 43 43 ARG HB3 H 1 1.76 0.02 . 2 . . . . 43 ARG HB3 . 16881 1 489 . 1 1 43 43 ARG HD2 H 1 3.10 0.02 . 2 . . . . 43 ARG HD2 . 16881 1 490 . 1 1 43 43 ARG HD3 H 1 3.20 0.02 . 2 . . . . 43 ARG HD3 . 16881 1 491 . 1 1 43 43 ARG HE H 1 7.30 0.02 . 1 . . . . 43 ARG HE . 16881 1 492 . 1 1 43 43 ARG HG2 H 1 1.46 0.02 . 2 . . . . 43 ARG HG2 . 16881 1 493 . 1 1 43 43 ARG HG3 H 1 1.49 0.02 . 2 . . . . 43 ARG HG3 . 16881 1 494 . 1 1 43 43 ARG CA C 13 55.6 0.2 . 1 . . . . 43 ARG CA . 16881 1 495 . 1 1 43 43 ARG CB C 13 33.3 0.2 . 1 . . . . 43 ARG CB . 16881 1 496 . 1 1 43 43 ARG CD C 13 43.5 0.2 . 1 . . . . 43 ARG CD . 16881 1 497 . 1 1 43 43 ARG CG C 13 28.0 0.2 . 1 . . . . 43 ARG CG . 16881 1 498 . 1 1 43 43 ARG N N 15 120.0 0.2 . 1 . . . . 43 ARG N . 16881 1 499 . 1 1 43 43 ARG NE N 15 84.8 0.2 . 1 . . . . 43 ARG NE . 16881 1 500 . 1 1 44 44 ASP H H 1 8.55 0.02 . 1 . . . . 44 ASP H . 16881 1 501 . 1 1 44 44 ASP HA H 1 4.78 0.02 . 1 . . . . 44 ASP HA . 16881 1 502 . 1 1 44 44 ASP HB2 H 1 2.55 0.02 . 2 . . . . 44 ASP HB2 . 16881 1 503 . 1 1 44 44 ASP HB3 H 1 2.65 0.02 . 2 . . . . 44 ASP HB3 . 16881 1 504 . 1 1 44 44 ASP C C 13 175.7 0.2 . 1 . . . . 44 ASP C . 16881 1 505 . 1 1 44 44 ASP CA C 13 53.3 0.2 . 1 . . . . 44 ASP CA . 16881 1 506 . 1 1 44 44 ASP CB C 13 42.3 0.2 . 1 . . . . 44 ASP CB . 16881 1 507 . 1 1 44 44 ASP N N 15 124.3 0.2 . 1 . . . . 44 ASP N . 16881 1 508 . 1 1 45 45 ASP H H 1 9.04 0.02 . 1 . . . . 45 ASP H . 16881 1 509 . 1 1 45 45 ASP HA H 1 4.15 0.02 . 1 . . . . 45 ASP HA . 16881 1 510 . 1 1 45 45 ASP HB2 H 1 2.80 0.02 . 2 . . . . 45 ASP HB2 . 16881 1 511 . 1 1 45 45 ASP HB3 H 1 2.92 0.02 . 2 . . . . 45 ASP HB3 . 16881 1 512 . 1 1 45 45 ASP C C 13 175.2 0.2 . 1 . . . . 45 ASP C . 16881 1 513 . 1 1 45 45 ASP CA C 13 57.0 0.2 . 1 . . . . 45 ASP CA . 16881 1 514 . 1 1 45 45 ASP CB C 13 39.4 0.2 . 1 . . . . 45 ASP CB . 16881 1 515 . 1 1 45 45 ASP N N 15 123.7 0.2 . 1 . . . . 45 ASP N . 16881 1 516 . 1 1 46 46 ASP H H 1 8.62 0.02 . 1 . . . . 46 ASP H . 16881 1 517 . 1 1 46 46 ASP HA H 1 4.64 0.02 . 1 . . . . 46 ASP HA . 16881 1 518 . 1 1 46 46 ASP HB2 H 1 2.87 0.02 . 2 . . . . 46 ASP HB2 . 16881 1 519 . 1 1 46 46 ASP HB3 H 1 2.92 0.02 . 2 . . . . 46 ASP HB3 . 16881 1 520 . 1 1 46 46 ASP C C 13 174.4 0.2 . 1 . . . . 46 ASP C . 16881 1 521 . 1 1 46 46 ASP CA C 13 55.0 0.2 . 1 . . . . 46 ASP CA . 16881 1 522 . 1 1 46 46 ASP CB C 13 40.6 0.2 . 1 . . . . 46 ASP CB . 16881 1 523 . 1 1 46 46 ASP N N 15 120.3 0.2 . 1 . . . . 46 ASP N . 16881 1 524 . 1 1 47 47 LYS H H 1 8.22 0.02 . 1 . . . . 47 LYS H . 16881 1 525 . 1 1 47 47 LYS HA H 1 4.92 0.02 . 1 . . . . 47 LYS HA . 16881 1 526 . 1 1 47 47 LYS HB2 H 1 1.70 0.02 . 2 . . . . 47 LYS HB2 . 16881 1 527 . 1 1 47 47 LYS HB3 H 1 1.93 0.02 . 2 . . . . 47 LYS HB3 . 16881 1 528 . 1 1 47 47 LYS HD2 H 1 1.55 0.02 . 2 . . . . 47 LYS HD2 . 16881 1 529 . 1 1 47 47 LYS HD3 H 1 1.57 0.02 . 2 . . . . 47 LYS HD3 . 16881 1 530 . 1 1 47 47 LYS HG2 H 1 1.17 0.02 . 2 . . . . 47 LYS HG2 . 16881 1 531 . 1 1 47 47 LYS HG3 H 1 1.23 0.02 . 2 . . . . 47 LYS HG3 . 16881 1 532 . 1 1 47 47 LYS C C 13 176.0 0.2 . 1 . . . . 47 LYS C . 16881 1 533 . 1 1 47 47 LYS CA C 13 55.8 0.2 . 1 . . . . 47 LYS CA . 16881 1 534 . 1 1 47 47 LYS CB C 13 33.8 0.2 . 1 . . . . 47 LYS CB . 16881 1 535 . 1 1 47 47 LYS CD C 13 29.0 0.2 . 1 . . . . 47 LYS CD . 16881 1 536 . 1 1 47 47 LYS CE C 13 41.8 0.2 . 1 . . . . 47 LYS CE . 16881 1 537 . 1 1 47 47 LYS CG C 13 24.6 0.2 . 1 . . . . 47 LYS CG . 16881 1 538 . 1 1 47 47 LYS N N 15 121.2 0.2 . 1 . . . . 47 LYS N . 16881 1 539 . 1 1 48 48 VAL H H 1 9.04 0.02 . 1 . . . . 48 VAL H . 16881 1 540 . 1 1 48 48 VAL HA H 1 4.72 0.02 . 1 . . . . 48 VAL HA . 16881 1 541 . 1 1 48 48 VAL HB H 1 1.93 0.02 . 1 . . . . 48 VAL HB . 16881 1 542 . 1 1 48 48 VAL HG11 H 1 0.89 0.02 . 1 . . . . 48 VAL HG1 . 16881 1 543 . 1 1 48 48 VAL HG12 H 1 0.89 0.02 . 1 . . . . 48 VAL HG1 . 16881 1 544 . 1 1 48 48 VAL HG13 H 1 0.89 0.02 . 1 . . . . 48 VAL HG1 . 16881 1 545 . 1 1 48 48 VAL HG21 H 1 0.95 0.02 . 1 . . . . 48 VAL HG2 . 16881 1 546 . 1 1 48 48 VAL HG22 H 1 0.95 0.02 . 1 . . . . 48 VAL HG2 . 16881 1 547 . 1 1 48 48 VAL HG23 H 1 0.95 0.02 . 1 . . . . 48 VAL HG2 . 16881 1 548 . 1 1 48 48 VAL C C 13 175.0 0.2 . 1 . . . . 48 VAL C . 16881 1 549 . 1 1 48 48 VAL CA C 13 61.6 0.2 . 1 . . . . 48 VAL CA . 16881 1 550 . 1 1 48 48 VAL CB C 13 34.6 0.2 . 1 . . . . 48 VAL CB . 16881 1 551 . 1 1 48 48 VAL CG1 C 13 21.6 0.2 . 1 . . . . 48 VAL CG1 . 16881 1 552 . 1 1 48 48 VAL CG2 C 13 22.2 0.2 . 1 . . . . 48 VAL CG2 . 16881 1 553 . 1 1 48 48 VAL N N 15 128.6 0.2 . 1 . . . . 48 VAL N . 16881 1 554 . 1 1 49 49 THR H H 1 8.83 0.02 . 1 . . . . 49 THR H . 16881 1 555 . 1 1 49 49 THR HA H 1 5.17 0.02 . 1 . . . . 49 THR HA . 16881 1 556 . 1 1 49 49 THR HB H 1 3.77 0.02 . 1 . . . . 49 THR HB . 16881 1 557 . 1 1 49 49 THR HG21 H 1 1.13 0.02 . 1 . . . . 49 THR HG2 . 16881 1 558 . 1 1 49 49 THR HG22 H 1 1.13 0.02 . 1 . . . . 49 THR HG2 . 16881 1 559 . 1 1 49 49 THR HG23 H 1 1.13 0.02 . 1 . . . . 49 THR HG2 . 16881 1 560 . 1 1 49 49 THR C C 13 174.6 0.2 . 1 . . . . 49 THR C . 16881 1 561 . 1 1 49 49 THR CA C 13 62.4 0.2 . 1 . . . . 49 THR CA . 16881 1 562 . 1 1 49 49 THR CB C 13 69.5 0.2 . 1 . . . . 49 THR CB . 16881 1 563 . 1 1 49 49 THR CG2 C 13 22.0 0.2 . 1 . . . . 49 THR CG2 . 16881 1 564 . 1 1 49 49 THR N N 15 124.9 0.2 . 1 . . . . 49 THR N . 16881 1 565 . 1 1 50 50 PHE H H 1 9.10 0.02 . 1 . . . . 50 PHE H . 16881 1 566 . 1 1 50 50 PHE HA H 1 5.47 0.02 . 1 . . . . 50 PHE HA . 16881 1 567 . 1 1 50 50 PHE HB2 H 1 2.44 0.02 . 2 . . . . 50 PHE HB2 . 16881 1 568 . 1 1 50 50 PHE HB3 H 1 2.64 0.02 . 2 . . . . 50 PHE HB3 . 16881 1 569 . 1 1 50 50 PHE HD1 H 1 6.65 0.02 . 3 . . . . 50 PHE HD1 . 16881 1 570 . 1 1 50 50 PHE HE1 H 1 6.90 0.02 . 3 . . . . 50 PHE HE1 . 16881 1 571 . 1 1 50 50 PHE HZ H 1 7.09 0.02 . 1 . . . . 50 PHE HZ . 16881 1 572 . 1 1 50 50 PHE C C 13 170.6 0.2 . 1 . . . . 50 PHE C . 16881 1 573 . 1 1 50 50 PHE CA C 13 55.2 0.2 . 1 . . . . 50 PHE CA . 16881 1 574 . 1 1 50 50 PHE CB C 13 41.7 0.2 . 1 . . . . 50 PHE CB . 16881 1 575 . 1 1 50 50 PHE CD1 C 13 132.4 0.2 . 3 . . . . 50 PHE CD1 . 16881 1 576 . 1 1 50 50 PHE CE1 C 13 130.6 0.2 . 3 . . . . 50 PHE CE1 . 16881 1 577 . 1 1 50 50 PHE CZ C 13 129.3 0.2 . 1 . . . . 50 PHE CZ . 16881 1 578 . 1 1 50 50 PHE N N 15 123.6 0.2 . 1 . . . . 50 PHE N . 16881 1 579 . 1 1 51 51 ARG H H 1 9.44 0.02 . 1 . . . . 51 ARG H . 16881 1 580 . 1 1 51 51 ARG HA H 1 4.89 0.02 . 1 . . . . 51 ARG HA . 16881 1 581 . 1 1 51 51 ARG HB2 H 1 1.49 0.02 . 2 . . . . 51 ARG HB2 . 16881 1 582 . 1 1 51 51 ARG HB3 H 1 1.67 0.02 . 2 . . . . 51 ARG HB3 . 16881 1 583 . 1 1 51 51 ARG HD2 H 1 2.96 0.02 . 2 . . . . 51 ARG HD2 . 16881 1 584 . 1 1 51 51 ARG HD3 H 1 3.07 0.02 . 2 . . . . 51 ARG HD3 . 16881 1 585 . 1 1 51 51 ARG HE H 1 7.25 0.02 . 1 . . . . 51 ARG HE . 16881 1 586 . 1 1 51 51 ARG C C 13 175.3 0.2 . 1 . . . . 51 ARG C . 16881 1 587 . 1 1 51 51 ARG CA C 13 54.0 0.2 . 1 . . . . 51 ARG CA . 16881 1 588 . 1 1 51 51 ARG CB C 13 33.3 0.2 . 1 . . . . 51 ARG CB . 16881 1 589 . 1 1 51 51 ARG CD C 13 42.3 0.2 . 1 . . . . 51 ARG CD . 16881 1 590 . 1 1 51 51 ARG CG C 13 27.6 0.2 . 1 . . . . 51 ARG CG . 16881 1 591 . 1 1 51 51 ARG N N 15 121.7 0.2 . 1 . . . . 51 ARG N . 16881 1 592 . 1 1 51 51 ARG NE N 15 82.2 0.2 . 1 . . . . 51 ARG NE . 16881 1 593 . 1 1 52 52 LEU H H 1 8.36 0.02 . 1 . . . . 52 LEU H . 16881 1 594 . 1 1 52 52 LEU HA H 1 4.52 0.02 . 1 . . . . 52 LEU HA . 16881 1 595 . 1 1 52 52 LEU HB2 H 1 0.44 0.02 . 2 . . . . 52 LEU HB2 . 16881 1 596 . 1 1 52 52 LEU HB3 H 1 0.48 0.02 . 2 . . . . 52 LEU HB3 . 16881 1 597 . 1 1 52 52 LEU HD11 H 1 0.44 0.02 . 1 . . . . 52 LEU HD1 . 16881 1 598 . 1 1 52 52 LEU HD12 H 1 0.44 0.02 . 1 . . . . 52 LEU HD1 . 16881 1 599 . 1 1 52 52 LEU HD13 H 1 0.44 0.02 . 1 . . . . 52 LEU HD1 . 16881 1 600 . 1 1 52 52 LEU HD21 H 1 0.24 0.02 . 1 . . . . 52 LEU HD2 . 16881 1 601 . 1 1 52 52 LEU HD22 H 1 0.24 0.02 . 1 . . . . 52 LEU HD2 . 16881 1 602 . 1 1 52 52 LEU HD23 H 1 0.24 0.02 . 1 . . . . 52 LEU HD2 . 16881 1 603 . 1 1 52 52 LEU HG H 1 1.13 0.02 . 1 . . . . 52 LEU HG . 16881 1 604 . 1 1 52 52 LEU C C 13 175.1 0.2 . 1 . . . . 52 LEU C . 16881 1 605 . 1 1 52 52 LEU CA C 13 53.5 0.2 . 1 . . . . 52 LEU CA . 16881 1 606 . 1 1 52 52 LEU CB C 13 43.8 0.2 . 1 . . . . 52 LEU CB . 16881 1 607 . 1 1 52 52 LEU CD1 C 13 24.9 0.2 . 1 . . . . 52 LEU CD1 . 16881 1 608 . 1 1 52 52 LEU CD2 C 13 24.3 0.2 . 1 . . . . 52 LEU CD2 . 16881 1 609 . 1 1 52 52 LEU CG C 13 26.5 0.2 . 1 . . . . 52 LEU CG . 16881 1 610 . 1 1 52 52 LEU N N 15 130.5 0.2 . 1 . . . . 52 LEU N . 16881 1 611 . 1 1 53 53 THR H H 1 7.94 0.02 . 1 . . . . 53 THR H . 16881 1 612 . 1 1 53 53 THR HA H 1 4.58 0.02 . 1 . . . . 53 THR HA . 16881 1 613 . 1 1 53 53 THR HB H 1 3.87 0.02 . 1 . . . . 53 THR HB . 16881 1 614 . 1 1 53 53 THR HG21 H 1 1.09 0.02 . 1 . . . . 53 THR HG2 . 16881 1 615 . 1 1 53 53 THR HG22 H 1 1.09 0.02 . 1 . . . . 53 THR HG2 . 16881 1 616 . 1 1 53 53 THR HG23 H 1 1.09 0.02 . 1 . . . . 53 THR HG2 . 16881 1 617 . 1 1 53 53 THR C C 13 174.6 0.2 . 1 . . . . 53 THR C . 16881 1 618 . 1 1 53 53 THR CA C 13 62.2 0.2 . 1 . . . . 53 THR CA . 16881 1 619 . 1 1 53 53 THR CB C 13 70.3 0.2 . 1 . . . . 53 THR CB . 16881 1 620 . 1 1 53 53 THR CG2 C 13 21.3 0.2 . 1 . . . . 53 THR CG2 . 16881 1 621 . 1 1 53 53 THR N N 15 116.6 0.2 . 1 . . . . 53 THR N . 16881 1 622 . 1 1 54 54 MET H H 1 8.72 0.02 . 1 . . . . 54 MET H . 16881 1 623 . 1 1 54 54 MET HA H 1 4.92 0.02 . 1 . . . . 54 MET HA . 16881 1 624 . 1 1 54 54 MET HB2 H 1 2.48 0.02 . 2 . . . . 54 MET HB2 . 16881 1 625 . 1 1 54 54 MET HB3 H 1 2.82 0.02 . 2 . . . . 54 MET HB3 . 16881 1 626 . 1 1 54 54 MET HE1 H 1 2.22 0.02 . 1 . . . . 54 MET HE . 16881 1 627 . 1 1 54 54 MET HE2 H 1 2.22 0.02 . 1 . . . . 54 MET HE . 16881 1 628 . 1 1 54 54 MET HE3 H 1 2.22 0.02 . 1 . . . . 54 MET HE . 16881 1 629 . 1 1 54 54 MET HG2 H 1 2.60 0.02 . 2 . . . . 54 MET HG2 . 16881 1 630 . 1 1 54 54 MET HG3 H 1 2.96 0.02 . 2 . . . . 54 MET HG3 . 16881 1 631 . 1 1 54 54 MET C C 13 176.8 0.2 . 1 . . . . 54 MET C . 16881 1 632 . 1 1 54 54 MET CA C 13 56.1 0.2 . 1 . . . . 54 MET CA . 16881 1 633 . 1 1 54 54 MET CB C 13 35.2 0.2 . 1 . . . . 54 MET CB . 16881 1 634 . 1 1 54 54 MET CE C 13 17.7 0.2 . 1 . . . . 54 MET CE . 16881 1 635 . 1 1 54 54 MET CG C 13 33.4 0.2 . 1 . . . . 54 MET CG . 16881 1 636 . 1 1 54 54 MET N N 15 126.7 0.2 . 1 . . . . 54 MET N . 16881 1 637 . 1 1 55 55 HIS H H 1 7.80 0.02 . 1 . . . . 55 HIS H . 16881 1 638 . 1 1 55 55 HIS HA H 1 4.66 0.02 . 1 . . . . 55 HIS HA . 16881 1 639 . 1 1 55 55 HIS HB2 H 1 2.88 0.02 . 2 . . . . 55 HIS HB2 . 16881 1 640 . 1 1 55 55 HIS HB3 H 1 3.21 0.02 . 2 . . . . 55 HIS HB3 . 16881 1 641 . 1 1 55 55 HIS CA C 13 56.5 0.2 . 1 . . . . 55 HIS CA . 16881 1 642 . 1 1 55 55 HIS CB C 13 29.1 0.2 . 1 . . . . 55 HIS CB . 16881 1 643 . 1 1 55 55 HIS N N 15 117.3 0.2 . 1 . . . . 55 HIS N . 16881 1 644 . 1 1 56 56 PRO HA H 1 4.31 0.02 . 1 . . . . 56 PRO HA . 16881 1 645 . 1 1 56 56 PRO HB2 H 1 1.93 0.02 . 2 . . . . 56 PRO HB2 . 16881 1 646 . 1 1 56 56 PRO HB3 H 1 1.98 0.02 . 2 . . . . 56 PRO HB3 . 16881 1 647 . 1 1 56 56 PRO HD2 H 1 3.80 0.02 . 2 . . . . 56 PRO HD2 . 16881 1 648 . 1 1 56 56 PRO HD3 H 1 3.99 0.02 . 2 . . . . 56 PRO HD3 . 16881 1 649 . 1 1 56 56 PRO C C 13 176.5 0.2 . 1 . . . . 56 PRO C . 16881 1 650 . 1 1 56 56 PRO CA C 13 63.2 0.2 . 1 . . . . 56 PRO CA . 16881 1 651 . 1 1 56 56 PRO CB C 13 31.6 0.2 . 1 . . . . 56 PRO CB . 16881 1 652 . 1 1 56 56 PRO CD C 13 50.2 0.2 . 1 . . . . 56 PRO CD . 16881 1 653 . 1 1 56 56 PRO CG C 13 27.8 0.2 . 1 . . . . 56 PRO CG . 16881 1 654 . 1 1 57 57 ASP H H 1 8.38 0.02 . 1 . . . . 57 ASP H . 16881 1 655 . 1 1 57 57 ASP HA H 1 4.72 0.02 . 1 . . . . 57 ASP HA . 16881 1 656 . 1 1 57 57 ASP HB2 H 1 3.03 0.02 . 2 . . . . 57 ASP HB2 . 16881 1 657 . 1 1 57 57 ASP HB3 H 1 3.52 0.02 . 2 . . . . 57 ASP HB3 . 16881 1 658 . 1 1 57 57 ASP C C 13 178.3 0.2 . 1 . . . . 57 ASP C . 16881 1 659 . 1 1 57 57 ASP CA C 13 52.5 0.2 . 1 . . . . 57 ASP CA . 16881 1 660 . 1 1 57 57 ASP CB C 13 41.4 0.2 . 1 . . . . 57 ASP CB . 16881 1 661 . 1 1 57 57 ASP N N 15 123.0 0.2 . 1 . . . . 57 ASP N . 16881 1 662 . 1 1 58 58 ALA H H 1 8.52 0.02 . 1 . . . . 58 ALA H . 16881 1 663 . 1 1 58 58 ALA HA H 1 4.12 0.02 . 1 . . . . 58 ALA HA . 16881 1 664 . 1 1 58 58 ALA HB1 H 1 1.47 0.02 . 1 . . . . 58 ALA HB . 16881 1 665 . 1 1 58 58 ALA HB2 H 1 1.47 0.02 . 1 . . . . 58 ALA HB . 16881 1 666 . 1 1 58 58 ALA HB3 H 1 1.47 0.02 . 1 . . . . 58 ALA HB . 16881 1 667 . 1 1 58 58 ALA C C 13 178.7 0.2 . 1 . . . . 58 ALA C . 16881 1 668 . 1 1 58 58 ALA CA C 13 55.0 0.2 . 1 . . . . 58 ALA CA . 16881 1 669 . 1 1 58 58 ALA CB C 13 18.7 0.2 . 1 . . . . 58 ALA CB . 16881 1 670 . 1 1 58 58 ALA N N 15 120.6 0.2 . 1 . . . . 58 ALA N . 16881 1 671 . 1 1 59 59 ASP H H 1 8.12 0.02 . 1 . . . . 59 ASP H . 16881 1 672 . 1 1 59 59 ASP HA H 1 4.80 0.02 . 1 . . . . 59 ASP HA . 16881 1 673 . 1 1 59 59 ASP HB2 H 1 2.73 0.02 . 2 . . . . 59 ASP HB2 . 16881 1 674 . 1 1 59 59 ASP HB3 H 1 2.88 0.02 . 2 . . . . 59 ASP HB3 . 16881 1 675 . 1 1 59 59 ASP C C 13 176.5 0.2 . 1 . . . . 59 ASP C . 16881 1 676 . 1 1 59 59 ASP CA C 13 54.0 0.2 . 1 . . . . 59 ASP CA . 16881 1 677 . 1 1 59 59 ASP CB C 13 41.9 0.2 . 1 . . . . 59 ASP CB . 16881 1 678 . 1 1 59 59 ASP N N 15 115.6 0.2 . 1 . . . . 59 ASP N . 16881 1 679 . 1 1 60 60 GLY H H 1 8.38 0.02 . 1 . . . . 60 GLY H . 16881 1 680 . 1 1 60 60 GLY HA2 H 1 3.56 0.02 . 2 . . . . 60 GLY HA2 . 16881 1 681 . 1 1 60 60 GLY HA3 H 1 4.17 0.02 . 2 . . . . 60 GLY HA3 . 16881 1 682 . 1 1 60 60 GLY C C 13 174.1 0.2 . 1 . . . . 60 GLY C . 16881 1 683 . 1 1 60 60 GLY CA C 13 45.5 0.2 . 1 . . . . 60 GLY CA . 16881 1 684 . 1 1 60 60 GLY N N 15 109.4 0.2 . 1 . . . . 60 GLY N . 16881 1 685 . 1 1 61 61 LYS H H 1 8.38 0.02 . 1 . . . . 61 LYS H . 16881 1 686 . 1 1 61 61 LYS HA H 1 4.06 0.02 . 1 . . . . 61 LYS HA . 16881 1 687 . 1 1 61 61 LYS HB2 H 1 1.36 0.02 . 2 . . . . 61 LYS HB2 . 16881 1 688 . 1 1 61 61 LYS HB3 H 1 1.77 0.02 . 2 . . . . 61 LYS HB3 . 16881 1 689 . 1 1 61 61 LYS HD2 H 1 1.33 0.02 . 2 . . . . 61 LYS HD2 . 16881 1 690 . 1 1 61 61 LYS HD3 H 1 1.43 0.02 . 2 . . . . 61 LYS HD3 . 16881 1 691 . 1 1 61 61 LYS HE2 H 1 2.35 0.02 . 2 . . . . 61 LYS HE2 . 16881 1 692 . 1 1 61 61 LYS HE3 H 1 2.38 0.02 . 2 . . . . 61 LYS HE3 . 16881 1 693 . 1 1 61 61 LYS HG2 H 1 0.82 0.02 . 2 . . . . 61 LYS HG2 . 16881 1 694 . 1 1 61 61 LYS HG3 H 1 0.91 0.02 . 2 . . . . 61 LYS HG3 . 16881 1 695 . 1 1 61 61 LYS C C 13 176.7 0.2 . 1 . . . . 61 LYS C . 16881 1 696 . 1 1 61 61 LYS CA C 13 56.1 0.2 . 1 . . . . 61 LYS CA . 16881 1 697 . 1 1 61 61 LYS CB C 13 32.4 0.2 . 1 . . . . 61 LYS CB . 16881 1 698 . 1 1 61 61 LYS CD C 13 28.4 0.2 . 1 . . . . 61 LYS CD . 16881 1 699 . 1 1 61 61 LYS CE C 13 41.8 0.2 . 1 . . . . 61 LYS CE . 16881 1 700 . 1 1 61 61 LYS CG C 13 24.6 0.2 . 1 . . . . 61 LYS CG . 16881 1 701 . 1 1 61 61 LYS N N 15 122.4 0.2 . 1 . . . . 61 LYS N . 16881 1 702 . 1 1 62 62 VAL H H 1 8.56 0.02 . 1 . . . . 62 VAL H . 16881 1 703 . 1 1 62 62 VAL HA H 1 3.93 0.02 . 1 . . . . 62 VAL HA . 16881 1 704 . 1 1 62 62 VAL HB H 1 1.81 0.02 . 1 . . . . 62 VAL HB . 16881 1 705 . 1 1 62 62 VAL HG11 H 1 0.81 0.02 . 2 . . . . 62 VAL HG1 . 16881 1 706 . 1 1 62 62 VAL HG12 H 1 0.81 0.02 . 2 . . . . 62 VAL HG1 . 16881 1 707 . 1 1 62 62 VAL HG13 H 1 0.81 0.02 . 2 . . . . 62 VAL HG1 . 16881 1 708 . 1 1 62 62 VAL HG21 H 1 0.84 0.02 . 2 . . . . 62 VAL HG2 . 16881 1 709 . 1 1 62 62 VAL HG22 H 1 0.84 0.02 . 2 . . . . 62 VAL HG2 . 16881 1 710 . 1 1 62 62 VAL HG23 H 1 0.84 0.02 . 2 . . . . 62 VAL HG2 . 16881 1 711 . 1 1 62 62 VAL C C 13 175.0 0.2 . 1 . . . . 62 VAL C . 16881 1 712 . 1 1 62 62 VAL CA C 13 62.7 0.2 . 1 . . . . 62 VAL CA . 16881 1 713 . 1 1 62 62 VAL CB C 13 32.8 0.2 . 1 . . . . 62 VAL CB . 16881 1 714 . 1 1 62 62 VAL N N 15 126.8 0.2 . 1 . . . . 62 VAL N . 16881 1 715 . 1 1 63 63 TRP H H 1 8.31 0.02 . 1 . . . . 63 TRP H . 16881 1 716 . 1 1 63 63 TRP HA H 1 5.01 0.02 . 1 . . . . 63 TRP HA . 16881 1 717 . 1 1 63 63 TRP HB2 H 1 3.38 0.02 . 2 . . . . 63 TRP HB2 . 16881 1 718 . 1 1 63 63 TRP HB3 H 1 3.50 0.02 . 2 . . . . 63 TRP HB3 . 16881 1 719 . 1 1 63 63 TRP HD1 H 1 7.55 0.02 . 1 . . . . 63 TRP HD1 . 16881 1 720 . 1 1 63 63 TRP HE1 H 1 10.28 0.02 . 1 . . . . 63 TRP HE1 . 16881 1 721 . 1 1 63 63 TRP HE3 H 1 7.89 0.02 . 1 . . . . 63 TRP HE3 . 16881 1 722 . 1 1 63 63 TRP HH2 H 1 7.17 0.02 . 1 . . . . 63 TRP HH2 . 16881 1 723 . 1 1 63 63 TRP HZ2 H 1 7.45 0.02 . 1 . . . . 63 TRP HZ2 . 16881 1 724 . 1 1 63 63 TRP C C 13 174.7 0.2 . 1 . . . . 63 TRP C . 16881 1 725 . 1 1 63 63 TRP CA C 13 56.2 0.2 . 1 . . . . 63 TRP CA . 16881 1 726 . 1 1 63 63 TRP CB C 13 31.3 0.2 . 1 . . . . 63 TRP CB . 16881 1 727 . 1 1 63 63 TRP CD1 C 13 128.8 0.2 . 1 . . . . 63 TRP CD1 . 16881 1 728 . 1 1 63 63 TRP CE3 C 13 120.7 0.2 . 1 . . . . 63 TRP CE3 . 16881 1 729 . 1 1 63 63 TRP CH2 C 13 124.2 0.2 . 1 . . . . 63 TRP CH2 . 16881 1 730 . 1 1 63 63 TRP CZ2 C 13 114.8 0.2 . 1 . . . . 63 TRP CZ2 . 16881 1 731 . 1 1 63 63 TRP N N 15 130.3 0.2 . 1 . . . . 63 TRP N . 16881 1 732 . 1 1 63 63 TRP NE1 N 15 129.9 0.2 . 1 . . . . 63 TRP NE1 . 16881 1 733 . 1 1 64 64 SER H H 1 8.57 0.02 . 1 . . . . 64 SER H . 16881 1 734 . 1 1 64 64 SER HA H 1 5.55 0.02 . 1 . . . . 64 SER HA . 16881 1 735 . 1 1 64 64 SER HB2 H 1 3.65 0.02 . 2 . . . . 64 SER HB2 . 16881 1 736 . 1 1 64 64 SER C C 13 173.9 0.2 . 1 . . . . 64 SER C . 16881 1 737 . 1 1 64 64 SER CA C 13 56.4 0.2 . 1 . . . . 64 SER CA . 16881 1 738 . 1 1 64 64 SER CB C 13 66.6 0.2 . 1 . . . . 64 SER CB . 16881 1 739 . 1 1 64 64 SER N N 15 116.0 0.2 . 1 . . . . 64 SER N . 16881 1 740 . 1 1 65 65 TRP H H 1 8.41 0.02 . 1 . . . . 65 TRP H . 16881 1 741 . 1 1 65 65 TRP HA H 1 5.32 0.02 . 1 . . . . 65 TRP HA . 16881 1 742 . 1 1 65 65 TRP HB2 H 1 3.30 0.02 . 2 . . . . 65 TRP HB2 . 16881 1 743 . 1 1 65 65 TRP HB3 H 1 3.75 0.02 . 2 . . . . 65 TRP HB3 . 16881 1 744 . 1 1 65 65 TRP HD1 H 1 6.89 0.02 . 1 . . . . 65 TRP HD1 . 16881 1 745 . 1 1 65 65 TRP HE1 H 1 9.80 0.02 . 1 . . . . 65 TRP HE1 . 16881 1 746 . 1 1 65 65 TRP HH2 H 1 7.24 0.02 . 1 . . . . 65 TRP HH2 . 16881 1 747 . 1 1 65 65 TRP HZ2 H 1 7.34 0.02 . 1 . . . . 65 TRP HZ2 . 16881 1 748 . 1 1 65 65 TRP HZ3 H 1 6.93 0.02 . 1 . . . . 65 TRP HZ3 . 16881 1 749 . 1 1 65 65 TRP C C 13 173.7 0.2 . 1 . . . . 65 TRP C . 16881 1 750 . 1 1 65 65 TRP CA C 13 57.7 0.2 . 1 . . . . 65 TRP CA . 16881 1 751 . 1 1 65 65 TRP CB C 13 31.7 0.2 . 1 . . . . 65 TRP CB . 16881 1 752 . 1 1 65 65 TRP CD1 C 13 127.2 0.2 . 1 . . . . 65 TRP CD1 . 16881 1 753 . 1 1 65 65 TRP CE3 C 13 120.9 0.2 . 1 . . . . 65 TRP CE3 . 16881 1 754 . 1 1 65 65 TRP CH2 C 13 123.7 0.2 . 1 . . . . 65 TRP CH2 . 16881 1 755 . 1 1 65 65 TRP CZ2 C 13 115.0 0.2 . 1 . . . . 65 TRP CZ2 . 16881 1 756 . 1 1 65 65 TRP CZ3 C 13 121.5 0.2 . 1 . . . . 65 TRP CZ3 . 16881 1 757 . 1 1 65 65 TRP N N 15 120.9 0.2 . 1 . . . . 65 TRP N . 16881 1 758 . 1 1 65 65 TRP NE1 N 15 129.9 0.2 . 1 . . . . 65 TRP NE1 . 16881 1 759 . 1 1 66 66 VAL H H 1 7.53 0.02 . 1 . . . . 66 VAL H . 16881 1 760 . 1 1 66 66 VAL HA H 1 4.76 0.02 . 1 . . . . 66 VAL HA . 16881 1 761 . 1 1 66 66 VAL HB H 1 1.61 0.02 . 1 . . . . 66 VAL HB . 16881 1 762 . 1 1 66 66 VAL HG11 H 1 0.73 0.02 . 1 . . . . 66 VAL HG1 . 16881 1 763 . 1 1 66 66 VAL HG12 H 1 0.73 0.02 . 1 . . . . 66 VAL HG1 . 16881 1 764 . 1 1 66 66 VAL HG13 H 1 0.73 0.02 . 1 . . . . 66 VAL HG1 . 16881 1 765 . 1 1 66 66 VAL HG21 H 1 0.83 0.02 . 1 . . . . 66 VAL HG2 . 16881 1 766 . 1 1 66 66 VAL HG22 H 1 0.83 0.02 . 1 . . . . 66 VAL HG2 . 16881 1 767 . 1 1 66 66 VAL HG23 H 1 0.83 0.02 . 1 . . . . 66 VAL HG2 . 16881 1 768 . 1 1 66 66 VAL CA C 13 61.7 0.2 . 1 . . . . 66 VAL CA . 16881 1 769 . 1 1 66 66 VAL CB C 13 34.1 0.2 . 1 . . . . 66 VAL CB . 16881 1 770 . 1 1 66 66 VAL CG1 C 13 21.8 0.2 . 1 . . . . 66 VAL CG1 . 16881 1 771 . 1 1 66 66 VAL CG2 C 13 22.3 0.2 . 1 . . . . 66 VAL CG2 . 16881 1 772 . 1 1 66 66 VAL N N 15 120.3 0.2 . 1 . . . . 66 VAL N . 16881 1 773 . 1 1 67 67 SER H H 1 8.55 0.02 . 1 . . . . 67 SER H . 16881 1 774 . 1 1 67 67 SER HA H 1 5.00 0.02 . 1 . . . . 67 SER HA . 16881 1 775 . 1 1 67 67 SER HB2 H 1 2.71 0.02 . 2 . . . . 67 SER HB2 . 16881 1 776 . 1 1 67 67 SER HB3 H 1 3.42 0.02 . 2 . . . . 67 SER HB3 . 16881 1 777 . 1 1 67 67 SER C C 13 169.8 0.2 . 1 . . . . 67 SER C . 16881 1 778 . 1 1 67 67 SER CA C 13 57.5 0.2 . 1 . . . . 67 SER CA . 16881 1 779 . 1 1 67 67 SER CB C 13 67.7 0.2 . 1 . . . . 67 SER CB . 16881 1 780 . 1 1 67 67 SER N N 15 124.4 0.2 . 1 . . . . 67 SER N . 16881 1 781 . 1 1 68 68 GLU H H 1 8.47 0.02 . 1 . . . . 68 GLU H . 16881 1 782 . 1 1 68 68 GLU HA H 1 5.67 0.02 . 1 . . . . 68 GLU HA . 16881 1 783 . 1 1 68 68 GLU HB2 H 1 1.78 0.02 . 2 . . . . 68 GLU HB2 . 16881 1 784 . 1 1 68 68 GLU HB3 H 1 1.85 0.02 . 2 . . . . 68 GLU HB3 . 16881 1 785 . 1 1 68 68 GLU HG2 H 1 2.07 0.02 . 2 . . . . 68 GLU HG2 . 16881 1 786 . 1 1 68 68 GLU HG3 H 1 2.19 0.02 . 2 . . . . 68 GLU HG3 . 16881 1 787 . 1 1 68 68 GLU C C 13 175.5 0.2 . 1 . . . . 68 GLU C . 16881 1 788 . 1 1 68 68 GLU CA C 13 54.0 0.2 . 1 . . . . 68 GLU CA . 16881 1 789 . 1 1 68 68 GLU CB C 13 33.7 0.2 . 1 . . . . 68 GLU CB . 16881 1 790 . 1 1 68 68 GLU CG C 13 35.8 0.2 . 1 . . . . 68 GLU CG . 16881 1 791 . 1 1 68 68 GLU N N 15 118.2 0.2 . 1 . . . . 68 GLU N . 16881 1 792 . 1 1 69 69 ARG H H 1 9.33 0.02 . 1 . . . . 69 ARG H . 16881 1 793 . 1 1 69 69 ARG HA H 1 5.56 0.02 . 1 . . . . 69 ARG HA . 16881 1 794 . 1 1 69 69 ARG HB2 H 1 1.55 0.02 . 2 . . . . 69 ARG HB2 . 16881 1 795 . 1 1 69 69 ARG HB3 H 1 1.62 0.02 . 2 . . . . 69 ARG HB3 . 16881 1 796 . 1 1 69 69 ARG HD2 H 1 2.53 0.02 . 2 . . . . 69 ARG HD2 . 16881 1 797 . 1 1 69 69 ARG HD3 H 1 2.82 0.02 . 2 . . . . 69 ARG HD3 . 16881 1 798 . 1 1 69 69 ARG HE H 1 7.20 0.02 . 1 . . . . 69 ARG HE . 16881 1 799 . 1 1 69 69 ARG HG2 H 1 1.35 0.02 . 2 . . . . 69 ARG HG2 . 16881 1 800 . 1 1 69 69 ARG HG3 H 1 1.44 0.02 . 2 . . . . 69 ARG HG3 . 16881 1 801 . 1 1 69 69 ARG C C 13 173.3 0.2 . 1 . . . . 69 ARG C . 16881 1 802 . 1 1 69 69 ARG CA C 13 54.3 0.2 . 1 . . . . 69 ARG CA . 16881 1 803 . 1 1 69 69 ARG CB C 13 35.0 0.2 . 1 . . . . 69 ARG CB . 16881 1 804 . 1 1 69 69 ARG CD C 13 43.5 0.2 . 1 . . . . 69 ARG CD . 16881 1 805 . 1 1 69 69 ARG CG C 13 25.8 0.2 . 1 . . . . 69 ARG CG . 16881 1 806 . 1 1 69 69 ARG N N 15 119.2 0.2 . 1 . . . . 69 ARG N . 16881 1 807 . 1 1 69 69 ARG NE N 15 80.1 0.2 . 1 . . . . 69 ARG NE . 16881 1 808 . 1 1 70 70 VAL H H 1 8.83 0.02 . 1 . . . . 70 VAL H . 16881 1 809 . 1 1 70 70 VAL HA H 1 4.61 0.02 . 1 . . . . 70 VAL HA . 16881 1 810 . 1 1 70 70 VAL HB H 1 2.04 0.02 . 1 . . . . 70 VAL HB . 16881 1 811 . 1 1 70 70 VAL HG11 H 1 0.89 0.02 . 1 . . . . 70 VAL HG1 . 16881 1 812 . 1 1 70 70 VAL HG12 H 1 0.89 0.02 . 1 . . . . 70 VAL HG1 . 16881 1 813 . 1 1 70 70 VAL HG13 H 1 0.89 0.02 . 1 . . . . 70 VAL HG1 . 16881 1 814 . 1 1 70 70 VAL C C 13 174.9 0.2 . 1 . . . . 70 VAL C . 16881 1 815 . 1 1 70 70 VAL CA C 13 61.6 0.2 . 1 . . . . 70 VAL CA . 16881 1 816 . 1 1 70 70 VAL CB C 13 34.5 0.2 . 1 . . . . 70 VAL CB . 16881 1 817 . 1 1 70 70 VAL CG1 C 13 20.8 0.2 . 1 . . . . 70 VAL CG1 . 16881 1 818 . 1 1 70 70 VAL CG2 C 13 21.3 0.2 . 1 . . . . 70 VAL CG2 . 16881 1 819 . 1 1 70 70 VAL N N 15 122.1 0.2 . 1 . . . . 70 VAL N . 16881 1 820 . 1 1 71 71 ALA H H 1 8.94 0.02 . 1 . . . . 71 ALA H . 16881 1 821 . 1 1 71 71 ALA HA H 1 5.03 0.02 . 1 . . . . 71 ALA HA . 16881 1 822 . 1 1 71 71 ALA HB1 H 1 1.35 0.02 . 1 . . . . 71 ALA HB . 16881 1 823 . 1 1 71 71 ALA HB2 H 1 1.35 0.02 . 1 . . . . 71 ALA HB . 16881 1 824 . 1 1 71 71 ALA HB3 H 1 1.35 0.02 . 1 . . . . 71 ALA HB . 16881 1 825 . 1 1 71 71 ALA C C 13 175.8 0.2 . 1 . . . . 71 ALA C . 16881 1 826 . 1 1 71 71 ALA CA C 13 51.2 0.2 . 1 . . . . 71 ALA CA . 16881 1 827 . 1 1 71 71 ALA CB C 13 20.6 0.2 . 1 . . . . 71 ALA CB . 16881 1 828 . 1 1 71 71 ALA N N 15 132.4 0.2 . 1 . . . . 71 ALA N . 16881 1 829 . 1 1 72 72 ASP H H 1 9.32 0.02 . 1 . . . . 72 ASP H . 16881 1 830 . 1 1 72 72 ASP HA H 1 5.44 0.02 . 1 . . . . 72 ASP HA . 16881 1 831 . 1 1 72 72 ASP HB2 H 1 2.64 0.02 . 2 . . . . 72 ASP HB2 . 16881 1 832 . 1 1 72 72 ASP HB3 H 1 3.24 0.02 . 2 . . . . 72 ASP HB3 . 16881 1 833 . 1 1 72 72 ASP CA C 13 50.8 0.2 . 1 . . . . 72 ASP CA . 16881 1 834 . 1 1 72 72 ASP CB C 13 42.9 0.2 . 1 . . . . 72 ASP CB . 16881 1 835 . 1 1 72 72 ASP N N 15 122.7 0.2 . 1 . . . . 72 ASP N . 16881 1 836 . 1 1 73 73 PRO HA H 1 3.25 0.02 . 1 . . . . 73 PRO HA . 16881 1 837 . 1 1 73 73 PRO HB2 H 1 1.72 0.02 . 2 . . . . 73 PRO HB2 . 16881 1 838 . 1 1 73 73 PRO HB3 H 1 1.87 0.02 . 2 . . . . 73 PRO HB3 . 16881 1 839 . 1 1 73 73 PRO HD2 H 1 4.06 0.02 . 2 . . . . 73 PRO HD2 . 16881 1 840 . 1 1 73 73 PRO HD3 H 1 4.24 0.02 . 2 . . . . 73 PRO HD3 . 16881 1 841 . 1 1 73 73 PRO HG2 H 1 2.00 0.02 . 2 . . . . 73 PRO HG2 . 16881 1 842 . 1 1 73 73 PRO HG3 H 1 2.15 0.02 . 2 . . . . 73 PRO HG3 . 16881 1 843 . 1 1 73 73 PRO C C 13 176.6 0.2 . 1 . . . . 73 PRO C . 16881 1 844 . 1 1 73 73 PRO CA C 13 63.9 0.2 . 1 . . . . 73 PRO CA . 16881 1 845 . 1 1 73 73 PRO CB C 13 31.7 0.2 . 1 . . . . 73 PRO CB . 16881 1 846 . 1 1 73 73 PRO CD C 13 51.0 0.2 . 1 . . . . 73 PRO CD . 16881 1 847 . 1 1 73 73 PRO CG C 13 26.6 0.2 . 1 . . . . 73 PRO CG . 16881 1 848 . 1 1 74 74 VAL H H 1 7.95 0.02 . 1 . . . . 74 VAL H . 16881 1 849 . 1 1 74 74 VAL HA H 1 3.61 0.02 . 1 . . . . 74 VAL HA . 16881 1 850 . 1 1 74 74 VAL HB H 1 2.45 0.02 . 1 . . . . 74 VAL HB . 16881 1 851 . 1 1 74 74 VAL HG11 H 1 0.90 0.02 . 1 . . . . 74 VAL HG1 . 16881 1 852 . 1 1 74 74 VAL HG12 H 1 0.90 0.02 . 1 . . . . 74 VAL HG1 . 16881 1 853 . 1 1 74 74 VAL HG13 H 1 0.90 0.02 . 1 . . . . 74 VAL HG1 . 16881 1 854 . 1 1 74 74 VAL HG21 H 1 0.97 0.02 . 1 . . . . 74 VAL HG2 . 16881 1 855 . 1 1 74 74 VAL HG22 H 1 0.97 0.02 . 1 . . . . 74 VAL HG2 . 16881 1 856 . 1 1 74 74 VAL HG23 H 1 0.97 0.02 . 1 . . . . 74 VAL HG2 . 16881 1 857 . 1 1 74 74 VAL C C 13 178.2 0.2 . 1 . . . . 74 VAL C . 16881 1 858 . 1 1 74 74 VAL CA C 13 66.2 0.2 . 1 . . . . 74 VAL CA . 16881 1 859 . 1 1 74 74 VAL CB C 13 31.0 0.2 . 1 . . . . 74 VAL CB . 16881 1 860 . 1 1 74 74 VAL CG1 C 13 20.7 0.2 . 1 . . . . 74 VAL CG1 . 16881 1 861 . 1 1 74 74 VAL CG2 C 13 22.3 0.2 . 1 . . . . 74 VAL CG2 . 16881 1 862 . 1 1 74 74 VAL N N 15 119.7 0.2 . 1 . . . . 74 VAL N . 16881 1 863 . 1 1 75 75 THR H H 1 6.98 0.02 . 1 . . . . 75 THR H . 16881 1 864 . 1 1 75 75 THR HA H 1 4.27 0.02 . 1 . . . . 75 THR HA . 16881 1 865 . 1 1 75 75 THR HB H 1 4.49 0.02 . 1 . . . . 75 THR HB . 16881 1 866 . 1 1 75 75 THR HG21 H 1 1.27 0.02 . 1 . . . . 75 THR HG2 . 16881 1 867 . 1 1 75 75 THR HG22 H 1 1.27 0.02 . 1 . . . . 75 THR HG2 . 16881 1 868 . 1 1 75 75 THR HG23 H 1 1.27 0.02 . 1 . . . . 75 THR HG2 . 16881 1 869 . 1 1 75 75 THR C C 13 175.5 0.2 . 1 . . . . 75 THR C . 16881 1 870 . 1 1 75 75 THR CA C 13 61.7 0.2 . 1 . . . . 75 THR CA . 16881 1 871 . 1 1 75 75 THR CB C 13 69.9 0.2 . 1 . . . . 75 THR CB . 16881 1 872 . 1 1 75 75 THR CG2 C 13 21.5 0.2 . 1 . . . . 75 THR CG2 . 16881 1 873 . 1 1 75 75 THR N N 15 106.1 0.2 . 1 . . . . 75 THR N . 16881 1 874 . 1 1 76 76 ARG H H 1 7.76 0.02 . 1 . . . . 76 ARG H . 16881 1 875 . 1 1 76 76 ARG HA H 1 3.37 0.02 . 1 . . . . 76 ARG HA . 16881 1 876 . 1 1 76 76 ARG HB2 H 1 1.73 0.02 . 2 . . . . 76 ARG HB2 . 16881 1 877 . 1 1 76 76 ARG HB3 H 1 2.57 0.02 . 2 . . . . 76 ARG HB3 . 16881 1 878 . 1 1 76 76 ARG HD2 H 1 1.98 0.02 . 2 . . . . 76 ARG HD2 . 16881 1 879 . 1 1 76 76 ARG HD3 H 1 2.24 0.02 . 2 . . . . 76 ARG HD3 . 16881 1 880 . 1 1 76 76 ARG HE H 1 7.07 0.02 . 1 . . . . 76 ARG HE . 16881 1 881 . 1 1 76 76 ARG HG2 H 1 1.26 0.02 . 2 . . . . 76 ARG HG2 . 16881 1 882 . 1 1 76 76 ARG HG3 H 1 1.46 0.02 . 2 . . . . 76 ARG HG3 . 16881 1 883 . 1 1 76 76 ARG C C 13 174.5 0.2 . 1 . . . . 76 ARG C . 16881 1 884 . 1 1 76 76 ARG CA C 13 55.9 0.2 . 1 . . . . 76 ARG CA . 16881 1 885 . 1 1 76 76 ARG CB C 13 27.1 0.2 . 1 . . . . 76 ARG CB . 16881 1 886 . 1 1 76 76 ARG CD C 13 43.1 0.2 . 1 . . . . 76 ARG CD . 16881 1 887 . 1 1 76 76 ARG CG C 13 25.0 0.2 . 1 . . . . 76 ARG CG . 16881 1 888 . 1 1 76 76 ARG N N 15 118.0 0.2 . 1 . . . . 76 ARG N . 16881 1 889 . 1 1 76 76 ARG NE N 15 86.1 0.2 . 1 . . . . 76 ARG NE . 16881 1 890 . 1 1 77 77 THR H H 1 7.92 0.02 . 1 . . . . 77 THR H . 16881 1 891 . 1 1 77 77 THR HA H 1 5.89 0.02 . 1 . . . . 77 THR HA . 16881 1 892 . 1 1 77 77 THR HB H 1 4.11 0.02 . 1 . . . . 77 THR HB . 16881 1 893 . 1 1 77 77 THR HG21 H 1 1.39 0.02 . 1 . . . . 77 THR HG2 . 16881 1 894 . 1 1 77 77 THR HG22 H 1 1.39 0.02 . 1 . . . . 77 THR HG2 . 16881 1 895 . 1 1 77 77 THR HG23 H 1 1.39 0.02 . 1 . . . . 77 THR HG2 . 16881 1 896 . 1 1 77 77 THR C C 13 174.1 0.2 . 1 . . . . 77 THR C . 16881 1 897 . 1 1 77 77 THR CA C 13 60.7 0.2 . 1 . . . . 77 THR CA . 16881 1 898 . 1 1 77 77 THR CB C 13 73.1 0.2 . 1 . . . . 77 THR CB . 16881 1 899 . 1 1 77 77 THR CG2 C 13 22.0 0.2 . 1 . . . . 77 THR CG2 . 16881 1 900 . 1 1 77 77 THR N N 15 109.2 0.2 . 1 . . . . 77 THR N . 16881 1 901 . 1 1 78 78 VAL H H 1 9.82 0.02 . 1 . . . . 78 VAL H . 16881 1 902 . 1 1 78 78 VAL HA H 1 5.17 0.02 . 1 . . . . 78 VAL HA . 16881 1 903 . 1 1 78 78 VAL HB H 1 2.01 0.02 . 1 . . . . 78 VAL HB . 16881 1 904 . 1 1 78 78 VAL HG11 H 1 0.52 0.02 . 1 . . . . 78 VAL HG1 . 16881 1 905 . 1 1 78 78 VAL HG12 H 1 0.52 0.02 . 1 . . . . 78 VAL HG1 . 16881 1 906 . 1 1 78 78 VAL HG13 H 1 0.52 0.02 . 1 . . . . 78 VAL HG1 . 16881 1 907 . 1 1 78 78 VAL HG21 H 1 1.19 0.02 . 1 . . . . 78 VAL HG2 . 16881 1 908 . 1 1 78 78 VAL HG22 H 1 1.19 0.02 . 1 . . . . 78 VAL HG2 . 16881 1 909 . 1 1 78 78 VAL HG23 H 1 1.19 0.02 . 1 . . . . 78 VAL HG2 . 16881 1 910 . 1 1 78 78 VAL C C 13 175.2 0.2 . 1 . . . . 78 VAL C . 16881 1 911 . 1 1 78 78 VAL CA C 13 60.9 0.2 . 1 . . . . 78 VAL CA . 16881 1 912 . 1 1 78 78 VAL CB C 13 34.9 0.2 . 1 . . . . 78 VAL CB . 16881 1 913 . 1 1 78 78 VAL CG1 C 13 20.1 0.2 . 1 . . . . 78 VAL CG1 . 16881 1 914 . 1 1 78 78 VAL CG2 C 13 21.1 0.2 . 1 . . . . 78 VAL CG2 . 16881 1 915 . 1 1 78 78 VAL N N 15 124.2 0.2 . 1 . . . . 78 VAL N . 16881 1 916 . 1 1 79 79 ARG H H 1 8.41 0.02 . 1 . . . . 79 ARG H . 16881 1 917 . 1 1 79 79 ARG HA H 1 5.19 0.02 . 1 . . . . 79 ARG HA . 16881 1 918 . 1 1 79 79 ARG HB2 H 1 1.76 0.02 . 2 . . . . 79 ARG HB2 . 16881 1 919 . 1 1 79 79 ARG HB3 H 1 1.91 0.02 . 2 . . . . 79 ARG HB3 . 16881 1 920 . 1 1 79 79 ARG HD2 H 1 3.20 0.02 . 2 . . . . 79 ARG HD2 . 16881 1 921 . 1 1 79 79 ARG HD3 H 1 3.25 0.02 . 2 . . . . 79 ARG HD3 . 16881 1 922 . 1 1 79 79 ARG HE H 1 7.37 0.02 . 1 . . . . 79 ARG HE . 16881 1 923 . 1 1 79 79 ARG HG2 H 1 1.67 0.02 . 2 . . . . 79 ARG HG2 . 16881 1 924 . 1 1 79 79 ARG HG3 H 1 1.79 0.02 . 2 . . . . 79 ARG HG3 . 16881 1 925 . 1 1 79 79 ARG C C 13 174.6 0.2 . 1 . . . . 79 ARG C . 16881 1 926 . 1 1 79 79 ARG CA C 13 55.3 0.2 . 1 . . . . 79 ARG CA . 16881 1 927 . 1 1 79 79 ARG CB C 13 32.3 0.2 . 1 . . . . 79 ARG CB . 16881 1 928 . 1 1 79 79 ARG CD C 13 43.2 0.2 . 1 . . . . 79 ARG CD . 16881 1 929 . 1 1 79 79 ARG CG C 13 28.5 0.2 . 1 . . . . 79 ARG CG . 16881 1 930 . 1 1 79 79 ARG N N 15 126.3 0.2 . 1 . . . . 79 ARG N . 16881 1 931 . 1 1 79 79 ARG NE N 15 84.7 0.2 . 1 . . . . 79 ARG NE . 16881 1 932 . 1 1 80 80 ALA H H 1 9.49 0.02 . 1 . . . . 80 ALA H . 16881 1 933 . 1 1 80 80 ALA HA H 1 5.69 0.02 . 1 . . . . 80 ALA HA . 16881 1 934 . 1 1 80 80 ALA HB1 H 1 1.30 0.02 . 1 . . . . 80 ALA HB . 16881 1 935 . 1 1 80 80 ALA HB2 H 1 1.30 0.02 . 1 . . . . 80 ALA HB . 16881 1 936 . 1 1 80 80 ALA HB3 H 1 1.30 0.02 . 1 . . . . 80 ALA HB . 16881 1 937 . 1 1 80 80 ALA C C 13 176.1 0.2 . 1 . . . . 80 ALA C . 16881 1 938 . 1 1 80 80 ALA CA C 13 50.6 0.2 . 1 . . . . 80 ALA CA . 16881 1 939 . 1 1 80 80 ALA CB C 13 23.8 0.2 . 1 . . . . 80 ALA CB . 16881 1 940 . 1 1 80 80 ALA N N 15 128.2 0.2 . 1 . . . . 80 ALA N . 16881 1 941 . 1 1 81 81 GLN H H 1 8.80 0.02 . 1 . . . . 81 GLN H . 16881 1 942 . 1 1 81 81 GLN HA H 1 5.51 0.02 . 1 . . . . 81 GLN HA . 16881 1 943 . 1 1 81 81 GLN HB2 H 1 2.10 0.02 . 2 . . . . 81 GLN HB2 . 16881 1 944 . 1 1 81 81 GLN HB3 H 1 2.24 0.02 . 2 . . . . 81 GLN HB3 . 16881 1 945 . 1 1 81 81 GLN HE21 H 1 6.70 0.02 . 2 . . . . 81 GLN HE21 . 16881 1 946 . 1 1 81 81 GLN HE22 H 1 7.56 0.02 . 2 . . . . 81 GLN HE22 . 16881 1 947 . 1 1 81 81 GLN HG2 H 1 2.17 0.02 . 2 . . . . 81 GLN HG2 . 16881 1 948 . 1 1 81 81 GLN HG3 H 1 2.39 0.02 . 2 . . . . 81 GLN HG3 . 16881 1 949 . 1 1 81 81 GLN C C 13 175.7 0.2 . 1 . . . . 81 GLN C . 16881 1 950 . 1 1 81 81 GLN CA C 13 54.4 0.2 . 1 . . . . 81 GLN CA . 16881 1 951 . 1 1 81 81 GLN CB C 13 32.3 0.2 . 1 . . . . 81 GLN CB . 16881 1 952 . 1 1 81 81 GLN CD C 13 180.7 0.2 . 1 . . . . 81 GLN CD . 16881 1 953 . 1 1 81 81 GLN CG C 13 32.7 0.2 . 1 . . . . 81 GLN CG . 16881 1 954 . 1 1 81 81 GLN N N 15 116.7 0.2 . 1 . . . . 81 GLN N . 16881 1 955 . 1 1 81 81 GLN NE2 N 15 111.2 0.2 . 1 . . . . 81 GLN NE2 . 16881 1 956 . 1 1 82 82 ARG H H 1 7.76 0.02 . 1 . . . . 82 ARG H . 16881 1 957 . 1 1 82 82 ARG HA H 1 4.78 0.02 . 1 . . . . 82 ARG HA . 16881 1 958 . 1 1 82 82 ARG HB2 H 1 1.42 0.02 . 2 . . . . 82 ARG HB2 . 16881 1 959 . 1 1 82 82 ARG HB3 H 1 1.55 0.02 . 2 . . . . 82 ARG HB3 . 16881 1 960 . 1 1 82 82 ARG HD2 H 1 2.53 0.02 . 2 . . . . 82 ARG HD2 . 16881 1 961 . 1 1 82 82 ARG HD3 H 1 2.63 0.02 . 2 . . . . 82 ARG HD3 . 16881 1 962 . 1 1 82 82 ARG HE H 1 6.83 0.02 . 1 . . . . 82 ARG HE . 16881 1 963 . 1 1 82 82 ARG HG2 H 1 1.46 0.02 . 2 . . . . 82 ARG HG2 . 16881 1 964 . 1 1 82 82 ARG HG3 H 1 1.49 0.02 . 2 . . . . 82 ARG HG3 . 16881 1 965 . 1 1 82 82 ARG C C 13 176.4 0.2 . 1 . . . . 82 ARG C . 16881 1 966 . 1 1 82 82 ARG CA C 13 56.9 0.2 . 1 . . . . 82 ARG CA . 16881 1 967 . 1 1 82 82 ARG CB C 13 32.1 0.2 . 1 . . . . 82 ARG CB . 16881 1 968 . 1 1 82 82 ARG CD C 13 43.1 0.2 . 1 . . . . 82 ARG CD . 16881 1 969 . 1 1 82 82 ARG CG C 13 27.8 0.2 . 1 . . . . 82 ARG CG . 16881 1 970 . 1 1 82 82 ARG N N 15 120.4 0.2 . 1 . . . . 82 ARG N . 16881 1 971 . 1 1 82 82 ARG NE N 15 82.3 0.2 . 1 . . . . 82 ARG NE . 16881 1 972 . 1 1 83 83 VAL H H 1 8.97 0.02 . 1 . . . . 83 VAL H . 16881 1 973 . 1 1 83 83 VAL HA H 1 4.04 0.02 . 1 . . . . 83 VAL HA . 16881 1 974 . 1 1 83 83 VAL HB H 1 1.75 0.02 . 1 . . . . 83 VAL HB . 16881 1 975 . 1 1 83 83 VAL HG11 H 1 0.88 0.02 . 1 . . . . 83 VAL HG1 . 16881 1 976 . 1 1 83 83 VAL HG12 H 1 0.88 0.02 . 1 . . . . 83 VAL HG1 . 16881 1 977 . 1 1 83 83 VAL HG13 H 1 0.88 0.02 . 1 . . . . 83 VAL HG1 . 16881 1 978 . 1 1 83 83 VAL HG21 H 1 0.82 0.02 . 1 . . . . 83 VAL HG2 . 16881 1 979 . 1 1 83 83 VAL HG22 H 1 0.82 0.02 . 1 . . . . 83 VAL HG2 . 16881 1 980 . 1 1 83 83 VAL HG23 H 1 0.82 0.02 . 1 . . . . 83 VAL HG2 . 16881 1 981 . 1 1 83 83 VAL C C 13 176.8 0.2 . 1 . . . . 83 VAL C . 16881 1 982 . 1 1 83 83 VAL CA C 13 64.3 0.2 . 1 . . . . 83 VAL CA . 16881 1 983 . 1 1 83 83 VAL CB C 13 32.6 0.2 . 1 . . . . 83 VAL CB . 16881 1 984 . 1 1 83 83 VAL CG1 C 13 20.5 0.2 . 1 . . . . 83 VAL CG1 . 16881 1 985 . 1 1 83 83 VAL CG2 C 13 21.1 0.2 . 1 . . . . 83 VAL CG2 . 16881 1 986 . 1 1 83 83 VAL N N 15 125.5 0.2 . 1 . . . . 83 VAL N . 16881 1 987 . 1 1 84 84 GLU H H 1 7.44 0.02 . 1 . . . . 84 GLU H . 16881 1 988 . 1 1 84 84 GLU HA H 1 4.75 0.02 . 1 . . . . 84 GLU HA . 16881 1 989 . 1 1 84 84 GLU HB2 H 1 2.29 0.02 . 2 . . . . 84 GLU HB2 . 16881 1 990 . 1 1 84 84 GLU HB3 H 1 2.34 0.02 . 2 . . . . 84 GLU HB3 . 16881 1 991 . 1 1 84 84 GLU C C 13 177.4 0.2 . 1 . . . . 84 GLU C . 16881 1 992 . 1 1 84 84 GLU CA C 13 55.3 0.2 . 1 . . . . 84 GLU CA . 16881 1 993 . 1 1 84 84 GLU CB C 13 30.5 0.2 . 1 . . . . 84 GLU CB . 16881 1 994 . 1 1 84 84 GLU N N 15 120.2 0.2 . 1 . . . . 84 GLU N . 16881 1 995 . 1 1 85 85 THR H H 1 8.55 0.02 . 1 . . . . 85 THR H . 16881 1 996 . 1 1 85 85 THR HA H 1 3.63 0.02 . 1 . . . . 85 THR HA . 16881 1 997 . 1 1 85 85 THR HB H 1 4.45 0.02 . 1 . . . . 85 THR HB . 16881 1 998 . 1 1 85 85 THR HG21 H 1 1.10 0.02 . 1 . . . . 85 THR HG2 . 16881 1 999 . 1 1 85 85 THR HG22 H 1 1.10 0.02 . 1 . . . . 85 THR HG2 . 16881 1 1000 . 1 1 85 85 THR HG23 H 1 1.10 0.02 . 1 . . . . 85 THR HG2 . 16881 1 1001 . 1 1 85 85 THR C C 13 175.7 0.2 . 1 . . . . 85 THR C . 16881 1 1002 . 1 1 85 85 THR CA C 13 64.6 0.2 . 1 . . . . 85 THR CA . 16881 1 1003 . 1 1 85 85 THR CB C 13 68.0 0.2 . 1 . . . . 85 THR CB . 16881 1 1004 . 1 1 85 85 THR CG2 C 13 22.5 0.2 . 1 . . . . 85 THR CG2 . 16881 1 1005 . 1 1 85 85 THR N N 15 116.0 0.2 . 1 . . . . 85 THR N . 16881 1 1006 . 1 1 86 86 GLY H H 1 8.78 0.02 . 1 . . . . 86 GLY H . 16881 1 1007 . 1 1 86 86 GLY HA2 H 1 3.61 0.02 . 2 . . . . 86 GLY HA2 . 16881 1 1008 . 1 1 86 86 GLY HA3 H 1 4.04 0.02 . 2 . . . . 86 GLY HA3 . 16881 1 1009 . 1 1 86 86 GLY CA C 13 45.5 0.2 . 1 . . . . 86 GLY CA . 16881 1 1010 . 1 1 86 86 GLY N N 15 113.4 0.2 . 1 . . . . 86 GLY N . 16881 1 1011 . 1 1 87 87 PRO HA H 1 4.53 0.02 . 1 . . . . 87 PRO HA . 16881 1 1012 . 1 1 87 87 PRO HB2 H 1 1.48 0.02 . 2 . . . . 87 PRO HB2 . 16881 1 1013 . 1 1 87 87 PRO HB3 H 1 1.90 0.02 . 2 . . . . 87 PRO HB3 . 16881 1 1014 . 1 1 87 87 PRO HD2 H 1 3.46 0.02 . 2 . . . . 87 PRO HD2 . 16881 1 1015 . 1 1 87 87 PRO HD3 H 1 3.73 0.02 . 2 . . . . 87 PRO HD3 . 16881 1 1016 . 1 1 87 87 PRO HG2 H 1 0.70 0.02 . 2 . . . . 87 PRO HG2 . 16881 1 1017 . 1 1 87 87 PRO HG3 H 1 1.47 0.02 . 2 . . . . 87 PRO HG3 . 16881 1 1018 . 1 1 87 87 PRO C C 13 174.9 0.2 . 1 . . . . 87 PRO C . 16881 1 1019 . 1 1 87 87 PRO CA C 13 63.7 0.2 . 1 . . . . 87 PRO CA . 16881 1 1020 . 1 1 87 87 PRO CB C 13 31.2 0.2 . 1 . . . . 87 PRO CB . 16881 1 1021 . 1 1 87 87 PRO CD C 13 50.2 0.2 . 1 . . . . 87 PRO CD . 16881 1 1022 . 1 1 87 87 PRO CG C 13 25.0 0.2 . 1 . . . . 87 PRO CG . 16881 1 1023 . 1 1 88 88 PHE H H 1 7.92 0.02 . 1 . . . . 88 PHE H . 16881 1 1024 . 1 1 88 88 PHE HA H 1 4.68 0.02 . 1 . . . . 88 PHE HA . 16881 1 1025 . 1 1 88 88 PHE HB2 H 1 2.81 0.02 . 2 . . . . 88 PHE HB2 . 16881 1 1026 . 1 1 88 88 PHE HB3 H 1 2.94 0.02 . 2 . . . . 88 PHE HB3 . 16881 1 1027 . 1 1 88 88 PHE HD1 H 1 7.22 0.02 . 3 . . . . 88 PHE HD1 . 16881 1 1028 . 1 1 88 88 PHE HE1 H 1 6.74 0.02 . 3 . . . . 88 PHE HE1 . 16881 1 1029 . 1 1 88 88 PHE HZ H 1 6.89 0.02 . 1 . . . . 88 PHE HZ . 16881 1 1030 . 1 1 88 88 PHE C C 13 176.7 0.2 . 1 . . . . 88 PHE C . 16881 1 1031 . 1 1 88 88 PHE CA C 13 57.6 0.2 . 1 . . . . 88 PHE CA . 16881 1 1032 . 1 1 88 88 PHE CB C 13 38.4 0.2 . 1 . . . . 88 PHE CB . 16881 1 1033 . 1 1 88 88 PHE CD1 C 13 131.4 0.2 . 3 . . . . 88 PHE CD1 . 16881 1 1034 . 1 1 88 88 PHE CE1 C 13 131.6 0.2 . 3 . . . . 88 PHE CE1 . 16881 1 1035 . 1 1 88 88 PHE CZ C 13 129.2 0.2 . 1 . . . . 88 PHE CZ . 16881 1 1036 . 1 1 88 88 PHE N N 15 119.0 0.2 . 1 . . . . 88 PHE N . 16881 1 1037 . 1 1 89 89 GLN H H 1 9.91 0.02 . 1 . . . . 89 GLN H . 16881 1 1038 . 1 1 89 89 GLN HA H 1 4.22 0.02 . 1 . . . . 89 GLN HA . 16881 1 1039 . 1 1 89 89 GLN HB2 H 1 1.82 0.02 . 2 . . . . 89 GLN HB2 . 16881 1 1040 . 1 1 89 89 GLN HB3 H 1 2.32 0.02 . 2 . . . . 89 GLN HB3 . 16881 1 1041 . 1 1 89 89 GLN HE21 H 1 7.11 0.02 . 2 . . . . 89 GLN HE21 . 16881 1 1042 . 1 1 89 89 GLN HE22 H 1 7.48 0.02 . 2 . . . . 89 GLN HE22 . 16881 1 1043 . 1 1 89 89 GLN HG2 H 1 2.20 0.02 . 2 . . . . 89 GLN HG2 . 16881 1 1044 . 1 1 89 89 GLN HG3 H 1 2.48 0.02 . 2 . . . . 89 GLN HG3 . 16881 1 1045 . 1 1 89 89 GLN C C 13 176.7 0.2 . 1 . . . . 89 GLN C . 16881 1 1046 . 1 1 89 89 GLN CA C 13 58.4 0.2 . 1 . . . . 89 GLN CA . 16881 1 1047 . 1 1 89 89 GLN CB C 13 30.1 0.2 . 1 . . . . 89 GLN CB . 16881 1 1048 . 1 1 89 89 GLN CD C 13 179.1 0.2 . 1 . . . . 89 GLN CD . 16881 1 1049 . 1 1 89 89 GLN CG C 13 34.0 0.2 . 1 . . . . 89 GLN CG . 16881 1 1050 . 1 1 89 89 GLN N N 15 121.7 0.2 . 1 . . . . 89 GLN N . 16881 1 1051 . 1 1 89 89 GLN NE2 N 15 112.1 0.2 . 1 . . . . 89 GLN NE2 . 16881 1 1052 . 1 1 90 90 TYR H H 1 7.04 0.02 . 1 . . . . 90 TYR H . 16881 1 1053 . 1 1 90 90 TYR HA H 1 4.69 0.02 . 1 . . . . 90 TYR HA . 16881 1 1054 . 1 1 90 90 TYR HB2 H 1 2.94 0.02 . 2 . . . . 90 TYR HB2 . 16881 1 1055 . 1 1 90 90 TYR HB3 H 1 3.30 0.02 . 2 . . . . 90 TYR HB3 . 16881 1 1056 . 1 1 90 90 TYR HD1 H 1 6.86 0.02 . 3 . . . . 90 TYR HD1 . 16881 1 1057 . 1 1 90 90 TYR HE1 H 1 6.57 0.02 . 3 . . . . 90 TYR HE1 . 16881 1 1058 . 1 1 90 90 TYR C C 13 172.9 0.2 . 1 . . . . 90 TYR C . 16881 1 1059 . 1 1 90 90 TYR CA C 13 56.2 0.2 . 1 . . . . 90 TYR CA . 16881 1 1060 . 1 1 90 90 TYR CB C 13 39.6 0.2 . 1 . . . . 90 TYR CB . 16881 1 1061 . 1 1 90 90 TYR CD1 C 13 134.2 0.2 . 3 . . . . 90 TYR CD1 . 16881 1 1062 . 1 1 90 90 TYR CE1 C 13 117.7 0.2 . 3 . . . . 90 TYR CE1 . 16881 1 1063 . 1 1 90 90 TYR N N 15 109.6 0.2 . 1 . . . . 90 TYR N . 16881 1 1064 . 1 1 91 91 MET H H 1 9.02 0.02 . 1 . . . . 91 MET H . 16881 1 1065 . 1 1 91 91 MET HA H 1 4.87 0.02 . 1 . . . . 91 MET HA . 16881 1 1066 . 1 1 91 91 MET HB2 H 1 1.18 0.02 . 2 . . . . 91 MET HB2 . 16881 1 1067 . 1 1 91 91 MET HB3 H 1 1.23 0.02 . 2 . . . . 91 MET HB3 . 16881 1 1068 . 1 1 91 91 MET HE1 H 1 0.94 0.02 . 1 . . . . 91 MET HE . 16881 1 1069 . 1 1 91 91 MET HE2 H 1 0.94 0.02 . 1 . . . . 91 MET HE . 16881 1 1070 . 1 1 91 91 MET HE3 H 1 0.94 0.02 . 1 . . . . 91 MET HE . 16881 1 1071 . 1 1 91 91 MET HG2 H 1 1.97 0.02 . 2 . . . . 91 MET HG2 . 16881 1 1072 . 1 1 91 91 MET HG3 H 1 2.01 0.02 . 2 . . . . 91 MET HG3 . 16881 1 1073 . 1 1 91 91 MET C C 13 172.1 0.2 . 1 . . . . 91 MET C . 16881 1 1074 . 1 1 91 91 MET CA C 13 56.2 0.2 . 1 . . . . 91 MET CA . 16881 1 1075 . 1 1 91 91 MET CB C 13 33.1 0.2 . 1 . . . . 91 MET CB . 16881 1 1076 . 1 1 91 91 MET CE C 13 17.6 0.2 . 1 . . . . 91 MET CE . 16881 1 1077 . 1 1 91 91 MET CG C 13 32.4 0.2 . 1 . . . . 91 MET CG . 16881 1 1078 . 1 1 91 91 MET N N 15 119.6 0.2 . 1 . . . . 91 MET N . 16881 1 1079 . 1 1 92 92 ASN H H 1 9.47 0.02 . 1 . . . . 92 ASN H . 16881 1 1080 . 1 1 92 92 ASN HA H 1 5.57 0.02 . 1 . . . . 92 ASN HA . 16881 1 1081 . 1 1 92 92 ASN HB2 H 1 2.91 0.02 . 2 . . . . 92 ASN HB2 . 16881 1 1082 . 1 1 92 92 ASN HB3 H 1 2.96 0.02 . 2 . . . . 92 ASN HB3 . 16881 1 1083 . 1 1 92 92 ASN HD21 H 1 6.84 0.02 . 2 . . . . 92 ASN HD21 . 16881 1 1084 . 1 1 92 92 ASN HD22 H 1 7.43 0.02 . 2 . . . . 92 ASN HD22 . 16881 1 1085 . 1 1 92 92 ASN C C 13 174.2 0.2 . 1 . . . . 92 ASN C . 16881 1 1086 . 1 1 92 92 ASN CA C 13 52.6 0.2 . 1 . . . . 92 ASN CA . 16881 1 1087 . 1 1 92 92 ASN CB C 13 41.6 0.2 . 1 . . . . 92 ASN CB . 16881 1 1088 . 1 1 92 92 ASN CG C 13 176.2 0.2 . 1 . . . . 92 ASN CG . 16881 1 1089 . 1 1 92 92 ASN N N 15 127.3 0.2 . 1 . . . . 92 ASN N . 16881 1 1090 . 1 1 92 92 ASN ND2 N 15 112.3 0.2 . 1 . . . . 92 ASN ND2 . 16881 1 1091 . 1 1 93 93 ILE H H 1 9.09 0.02 . 1 . . . . 93 ILE H . 16881 1 1092 . 1 1 93 93 ILE HA H 1 4.98 0.02 . 1 . . . . 93 ILE HA . 16881 1 1093 . 1 1 93 93 ILE HB H 1 1.51 0.02 . 1 . . . . 93 ILE HB . 16881 1 1094 . 1 1 93 93 ILE HD11 H 1 0.71 0.02 . 1 . . . . 93 ILE HD1 . 16881 1 1095 . 1 1 93 93 ILE HD12 H 1 0.71 0.02 . 1 . . . . 93 ILE HD1 . 16881 1 1096 . 1 1 93 93 ILE HD13 H 1 0.71 0.02 . 1 . . . . 93 ILE HD1 . 16881 1 1097 . 1 1 93 93 ILE HG12 H 1 0.85 0.02 . 2 . . . . 93 ILE HG12 . 16881 1 1098 . 1 1 93 93 ILE HG13 H 1 1.35 0.02 . 2 . . . . 93 ILE HG13 . 16881 1 1099 . 1 1 93 93 ILE HG21 H 1 0.73 0.02 . 1 . . . . 93 ILE HG2 . 16881 1 1100 . 1 1 93 93 ILE HG22 H 1 0.73 0.02 . 1 . . . . 93 ILE HG2 . 16881 1 1101 . 1 1 93 93 ILE HG23 H 1 0.73 0.02 . 1 . . . . 93 ILE HG2 . 16881 1 1102 . 1 1 93 93 ILE C C 13 175.2 0.2 . 1 . . . . 93 ILE C . 16881 1 1103 . 1 1 93 93 ILE CA C 13 60.9 0.2 . 1 . . . . 93 ILE CA . 16881 1 1104 . 1 1 93 93 ILE CB C 13 41.9 0.2 . 1 . . . . 93 ILE CB . 16881 1 1105 . 1 1 93 93 ILE CD1 C 13 14.8 0.2 . 1 . . . . 93 ILE CD1 . 16881 1 1106 . 1 1 93 93 ILE CG1 C 13 28.0 0.2 . 1 . . . . 93 ILE CG1 . 16881 1 1107 . 1 1 93 93 ILE CG2 C 13 18.5 0.2 . 1 . . . . 93 ILE CG2 . 16881 1 1108 . 1 1 93 93 ILE N N 15 123.6 0.2 . 1 . . . . 93 ILE N . 16881 1 1109 . 1 1 94 94 VAL H H 1 9.50 0.02 . 1 . . . . 94 VAL H . 16881 1 1110 . 1 1 94 94 VAL HA H 1 5.27 0.02 . 1 . . . . 94 VAL HA . 16881 1 1111 . 1 1 94 94 VAL HB H 1 2.22 0.02 . 1 . . . . 94 VAL HB . 16881 1 1112 . 1 1 94 94 VAL HG11 H 1 1.09 0.02 . 1 . . . . 94 VAL HG1 . 16881 1 1113 . 1 1 94 94 VAL HG12 H 1 1.09 0.02 . 1 . . . . 94 VAL HG1 . 16881 1 1114 . 1 1 94 94 VAL HG13 H 1 1.09 0.02 . 1 . . . . 94 VAL HG1 . 16881 1 1115 . 1 1 94 94 VAL HG21 H 1 1.07 0.02 . 1 . . . . 94 VAL HG2 . 16881 1 1116 . 1 1 94 94 VAL HG22 H 1 1.07 0.02 . 1 . . . . 94 VAL HG2 . 16881 1 1117 . 1 1 94 94 VAL HG23 H 1 1.07 0.02 . 1 . . . . 94 VAL HG2 . 16881 1 1118 . 1 1 94 94 VAL C C 13 175.9 0.2 . 1 . . . . 94 VAL C . 16881 1 1119 . 1 1 94 94 VAL CA C 13 61.3 0.2 . 1 . . . . 94 VAL CA . 16881 1 1120 . 1 1 94 94 VAL CB C 13 35.2 0.2 . 1 . . . . 94 VAL CB . 16881 1 1121 . 1 1 94 94 VAL CG1 C 13 21.3 0.2 . 1 . . . . 94 VAL CG1 . 16881 1 1122 . 1 1 94 94 VAL CG2 C 13 22.1 0.2 . 1 . . . . 94 VAL CG2 . 16881 1 1123 . 1 1 94 94 VAL N N 15 129.8 0.2 . 1 . . . . 94 VAL N . 16881 1 1124 . 1 1 95 95 TRP H H 1 9.70 0.02 . 1 . . . . 95 TRP H . 16881 1 1125 . 1 1 95 95 TRP HA H 1 6.45 0.02 . 1 . . . . 95 TRP HA . 16881 1 1126 . 1 1 95 95 TRP HB2 H 1 2.99 0.02 . 2 . . . . 95 TRP HB2 . 16881 1 1127 . 1 1 95 95 TRP HB3 H 1 3.47 0.02 . 2 . . . . 95 TRP HB3 . 16881 1 1128 . 1 1 95 95 TRP HD1 H 1 6.72 0.02 . 1 . . . . 95 TRP HD1 . 16881 1 1129 . 1 1 95 95 TRP HE1 H 1 8.57 0.02 . 1 . . . . 95 TRP HE1 . 16881 1 1130 . 1 1 95 95 TRP HH2 H 1 6.87 0.02 . 1 . . . . 95 TRP HH2 . 16881 1 1131 . 1 1 95 95 TRP HZ2 H 1 6.42 0.02 . 1 . . . . 95 TRP HZ2 . 16881 1 1132 . 1 1 95 95 TRP HZ3 H 1 6.58 0.02 . 1 . . . . 95 TRP HZ3 . 16881 1 1133 . 1 1 95 95 TRP C C 13 175.4 0.2 . 1 . . . . 95 TRP C . 16881 1 1134 . 1 1 95 95 TRP CA C 13 52.9 0.2 . 1 . . . . 95 TRP CA . 16881 1 1135 . 1 1 95 95 TRP CB C 13 32.7 0.2 . 1 . . . . 95 TRP CB . 16881 1 1136 . 1 1 95 95 TRP CD1 C 13 123.6 0.2 . 1 . . . . 95 TRP CD1 . 16881 1 1137 . 1 1 95 95 TRP CH2 C 13 124.7 0.2 . 1 . . . . 95 TRP CH2 . 16881 1 1138 . 1 1 95 95 TRP CZ2 C 13 113.5 0.2 . 1 . . . . 95 TRP CZ2 . 16881 1 1139 . 1 1 95 95 TRP CZ3 C 13 122.2 0.2 . 1 . . . . 95 TRP CZ3 . 16881 1 1140 . 1 1 95 95 TRP N N 15 127.7 0.2 . 1 . . . . 95 TRP N . 16881 1 1141 . 1 1 95 95 TRP NE1 N 15 126.7 0.2 . 1 . . . . 95 TRP NE1 . 16881 1 1142 . 1 1 96 96 GLU H H 1 9.32 0.02 . 1 . . . . 96 GLU H . 16881 1 1143 . 1 1 96 96 GLU HA H 1 5.55 0.02 . 1 . . . . 96 GLU HA . 16881 1 1144 . 1 1 96 96 GLU HB2 H 1 2.01 0.02 . 2 . . . . 96 GLU HB2 . 16881 1 1145 . 1 1 96 96 GLU HB3 H 1 2.34 0.02 . 2 . . . . 96 GLU HB3 . 16881 1 1146 . 1 1 96 96 GLU HG2 H 1 2.38 0.02 . 2 . . . . 96 GLU HG2 . 16881 1 1147 . 1 1 96 96 GLU HG3 H 1 2.43 0.02 . 2 . . . . 96 GLU HG3 . 16881 1 1148 . 1 1 96 96 GLU C C 13 174.9 0.2 . 1 . . . . 96 GLU C . 16881 1 1149 . 1 1 96 96 GLU CA C 13 55.4 0.2 . 1 . . . . 96 GLU CA . 16881 1 1150 . 1 1 96 96 GLU CB C 13 35.0 0.2 . 1 . . . . 96 GLU CB . 16881 1 1151 . 1 1 96 96 GLU CG C 13 37.4 0.2 . 1 . . . . 96 GLU CG . 16881 1 1152 . 1 1 96 96 GLU N N 15 120.9 0.2 . 1 . . . . 96 GLU N . 16881 1 1153 . 1 1 97 97 TYR H H 1 8.28 0.02 . 1 . . . . 97 TYR H . 16881 1 1154 . 1 1 97 97 TYR HA H 1 5.88 0.02 . 1 . . . . 97 TYR HA . 16881 1 1155 . 1 1 97 97 TYR HB2 H 1 2.72 0.02 . 2 . . . . 97 TYR HB2 . 16881 1 1156 . 1 1 97 97 TYR HB3 H 1 3.10 0.02 . 2 . . . . 97 TYR HB3 . 16881 1 1157 . 1 1 97 97 TYR HD1 H 1 7.36 0.02 . 3 . . . . 97 TYR HD1 . 16881 1 1158 . 1 1 97 97 TYR HE1 H 1 6.76 0.02 . 3 . . . . 97 TYR HE1 . 16881 1 1159 . 1 1 97 97 TYR C C 13 175.2 0.2 . 1 . . . . 97 TYR C . 16881 1 1160 . 1 1 97 97 TYR CA C 13 56.1 0.2 . 1 . . . . 97 TYR CA . 16881 1 1161 . 1 1 97 97 TYR CB C 13 42.2 0.2 . 1 . . . . 97 TYR CB . 16881 1 1162 . 1 1 97 97 TYR CD1 C 13 133.0 0.2 . 3 . . . . 97 TYR CD1 . 16881 1 1163 . 1 1 97 97 TYR CE1 C 13 117.8 0.2 . 3 . . . . 97 TYR CE1 . 16881 1 1164 . 1 1 97 97 TYR N N 15 119.3 0.2 . 1 . . . . 97 TYR N . 16881 1 1165 . 1 1 98 98 ALA H H 1 9.12 0.02 . 1 . . . . 98 ALA H . 16881 1 1166 . 1 1 98 98 ALA HA H 1 4.73 0.02 . 1 . . . . 98 ALA HA . 16881 1 1167 . 1 1 98 98 ALA HB1 H 1 1.41 0.02 . 1 . . . . 98 ALA HB . 16881 1 1168 . 1 1 98 98 ALA HB2 H 1 1.41 0.02 . 1 . . . . 98 ALA HB . 16881 1 1169 . 1 1 98 98 ALA HB3 H 1 1.41 0.02 . 1 . . . . 98 ALA HB . 16881 1 1170 . 1 1 98 98 ALA C C 13 175.4 0.2 . 1 . . . . 98 ALA C . 16881 1 1171 . 1 1 98 98 ALA CA C 13 51.6 0.2 . 1 . . . . 98 ALA CA . 16881 1 1172 . 1 1 98 98 ALA CB C 13 22.3 0.2 . 1 . . . . 98 ALA CB . 16881 1 1173 . 1 1 98 98 ALA N N 15 124.0 0.2 . 1 . . . . 98 ALA N . 16881 1 1174 . 1 1 99 99 GLU H H 1 8.97 0.02 . 1 . . . . 99 GLU H . 16881 1 1175 . 1 1 99 99 GLU HA H 1 4.91 0.02 . 1 . . . . 99 GLU HA . 16881 1 1176 . 1 1 99 99 GLU HB2 H 1 2.00 0.02 . 2 . . . . 99 GLU HB2 . 16881 1 1177 . 1 1 99 99 GLU HB3 H 1 2.11 0.02 . 2 . . . . 99 GLU HB3 . 16881 1 1178 . 1 1 99 99 GLU HG2 H 1 2.31 0.02 . 2 . . . . 99 GLU HG2 . 16881 1 1179 . 1 1 99 99 GLU HG3 H 1 2.41 0.02 . 2 . . . . 99 GLU HG3 . 16881 1 1180 . 1 1 99 99 GLU C C 13 176.2 0.2 . 1 . . . . 99 GLU C . 16881 1 1181 . 1 1 99 99 GLU CA C 13 56.4 0.2 . 1 . . . . 99 GLU CA . 16881 1 1182 . 1 1 99 99 GLU CB C 13 31.7 0.2 . 1 . . . . 99 GLU CB . 16881 1 1183 . 1 1 99 99 GLU CG C 13 37.6 0.2 . 1 . . . . 99 GLU CG . 16881 1 1184 . 1 1 99 99 GLU N N 15 122.1 0.2 . 1 . . . . 99 GLU N . 16881 1 1185 . 1 1 100 100 THR H H 1 8.64 0.02 . 1 . . . . 100 THR H . 16881 1 1186 . 1 1 100 100 THR HA H 1 4.85 0.02 . 1 . . . . 100 THR HA . 16881 1 1187 . 1 1 100 100 THR HB H 1 4.49 0.02 . 1 . . . . 100 THR HB . 16881 1 1188 . 1 1 100 100 THR HG21 H 1 1.12 0.02 . 1 . . . . 100 THR HG2 . 16881 1 1189 . 1 1 100 100 THR HG22 H 1 1.12 0.02 . 1 . . . . 100 THR HG2 . 16881 1 1190 . 1 1 100 100 THR HG23 H 1 1.12 0.02 . 1 . . . . 100 THR HG2 . 16881 1 1191 . 1 1 100 100 THR C C 13 175.0 0.2 . 1 . . . . 100 THR C . 16881 1 1192 . 1 1 100 100 THR CA C 13 59.7 0.2 . 1 . . . . 100 THR CA . 16881 1 1193 . 1 1 100 100 THR CB C 13 72.4 0.2 . 1 . . . . 100 THR CB . 16881 1 1194 . 1 1 100 100 THR CG2 C 13 21.7 0.2 . 1 . . . . 100 THR CG2 . 16881 1 1195 . 1 1 100 100 THR N N 15 116.7 0.2 . 1 . . . . 100 THR N . 16881 1 1196 . 1 1 101 101 ALA H H 1 8.80 0.02 . 1 . . . . 101 ALA H . 16881 1 1197 . 1 1 101 101 ALA HA H 1 4.13 0.02 . 1 . . . . 101 ALA HA . 16881 1 1198 . 1 1 101 101 ALA HB1 H 1 1.43 0.02 . 1 . . . . 101 ALA HB . 16881 1 1199 . 1 1 101 101 ALA HB2 H 1 1.43 0.02 . 1 . . . . 101 ALA HB . 16881 1 1200 . 1 1 101 101 ALA HB3 H 1 1.43 0.02 . 1 . . . . 101 ALA HB . 16881 1 1201 . 1 1 101 101 ALA C C 13 179.0 0.2 . 1 . . . . 101 ALA C . 16881 1 1202 . 1 1 101 101 ALA CA C 13 55.1 0.2 . 1 . . . . 101 ALA CA . 16881 1 1203 . 1 1 101 101 ALA CB C 13 18.6 0.2 . 1 . . . . 101 ALA CB . 16881 1 1204 . 1 1 101 101 ALA N N 15 122.5 0.2 . 1 . . . . 101 ALA N . 16881 1 1205 . 1 1 102 102 GLU H H 1 7.93 0.02 . 1 . . . . 102 GLU H . 16881 1 1206 . 1 1 102 102 GLU HA H 1 4.24 0.02 . 1 . . . . 102 GLU HA . 16881 1 1207 . 1 1 102 102 GLU HB2 H 1 1.71 0.02 . 2 . . . . 102 GLU HB2 . 16881 1 1208 . 1 1 102 102 GLU HB3 H 1 2.06 0.02 . 2 . . . . 102 GLU HB3 . 16881 1 1209 . 1 1 102 102 GLU HG2 H 1 2.14 0.02 . 2 . . . . 102 GLU HG2 . 16881 1 1210 . 1 1 102 102 GLU HG3 H 1 2.22 0.02 . 2 . . . . 102 GLU HG3 . 16881 1 1211 . 1 1 102 102 GLU C C 13 175.8 0.2 . 1 . . . . 102 GLU C . 16881 1 1212 . 1 1 102 102 GLU CA C 13 56.7 0.2 . 1 . . . . 102 GLU CA . 16881 1 1213 . 1 1 102 102 GLU CB C 13 30.6 0.2 . 1 . . . . 102 GLU CB . 16881 1 1214 . 1 1 102 102 GLU CG C 13 36.7 0.2 . 1 . . . . 102 GLU CG . 16881 1 1215 . 1 1 102 102 GLU N N 15 113.2 0.2 . 1 . . . . 102 GLU N . 16881 1 1216 . 1 1 103 103 GLY H H 1 7.40 0.02 . 1 . . . . 103 GLY H . 16881 1 1217 . 1 1 103 103 GLY HA2 H 1 3.80 0.02 . 2 . . . . 103 GLY HA2 . 16881 1 1218 . 1 1 103 103 GLY HA3 H 1 4.51 0.02 . 2 . . . . 103 GLY HA3 . 16881 1 1219 . 1 1 103 103 GLY C C 13 172.7 0.2 . 1 . . . . 103 GLY C . 16881 1 1220 . 1 1 103 103 GLY CA C 13 45.6 0.2 . 1 . . . . 103 GLY CA . 16881 1 1221 . 1 1 103 103 GLY N N 15 107.5 0.2 . 1 . . . . 103 GLY N . 16881 1 1222 . 1 1 104 104 THR H H 1 9.41 0.02 . 1 . . . . 104 THR H . 16881 1 1223 . 1 1 104 104 THR HA H 1 5.03 0.02 . 1 . . . . 104 THR HA . 16881 1 1224 . 1 1 104 104 THR HB H 1 4.06 0.02 . 1 . . . . 104 THR HB . 16881 1 1225 . 1 1 104 104 THR HG21 H 1 1.33 0.02 . 1 . . . . 104 THR HG2 . 16881 1 1226 . 1 1 104 104 THR HG22 H 1 1.33 0.02 . 1 . . . . 104 THR HG2 . 16881 1 1227 . 1 1 104 104 THR HG23 H 1 1.33 0.02 . 1 . . . . 104 THR HG2 . 16881 1 1228 . 1 1 104 104 THR C C 13 173.6 0.2 . 1 . . . . 104 THR C . 16881 1 1229 . 1 1 104 104 THR CA C 13 63.0 0.2 . 1 . . . . 104 THR CA . 16881 1 1230 . 1 1 104 104 THR CB C 13 71.2 0.2 . 1 . . . . 104 THR CB . 16881 1 1231 . 1 1 104 104 THR CG2 C 13 21.9 0.2 . 1 . . . . 104 THR CG2 . 16881 1 1232 . 1 1 104 104 THR N N 15 121.3 0.2 . 1 . . . . 104 THR N . 16881 1 1233 . 1 1 105 105 VAL H H 1 9.63 0.02 . 1 . . . . 105 VAL H . 16881 1 1234 . 1 1 105 105 VAL HA H 1 4.71 0.02 . 1 . . . . 105 VAL HA . 16881 1 1235 . 1 1 105 105 VAL HB H 1 1.88 0.02 . 1 . . . . 105 VAL HB . 16881 1 1236 . 1 1 105 105 VAL HG11 H 1 0.69 0.02 . 1 . . . . 105 VAL HG1 . 16881 1 1237 . 1 1 105 105 VAL HG12 H 1 0.69 0.02 . 1 . . . . 105 VAL HG1 . 16881 1 1238 . 1 1 105 105 VAL HG13 H 1 0.69 0.02 . 1 . . . . 105 VAL HG1 . 16881 1 1239 . 1 1 105 105 VAL HG21 H 1 0.89 0.02 . 1 . . . . 105 VAL HG2 . 16881 1 1240 . 1 1 105 105 VAL HG22 H 1 0.89 0.02 . 1 . . . . 105 VAL HG2 . 16881 1 1241 . 1 1 105 105 VAL HG23 H 1 0.89 0.02 . 1 . . . . 105 VAL HG2 . 16881 1 1242 . 1 1 105 105 VAL C C 13 174.8 0.2 . 1 . . . . 105 VAL C . 16881 1 1243 . 1 1 105 105 VAL CA C 13 61.4 0.2 . 1 . . . . 105 VAL CA . 16881 1 1244 . 1 1 105 105 VAL CB C 13 33.1 0.2 . 1 . . . . 105 VAL CB . 16881 1 1245 . 1 1 105 105 VAL CG1 C 13 20.9 0.2 . 1 . . . . 105 VAL CG1 . 16881 1 1246 . 1 1 105 105 VAL CG2 C 13 21.8 0.2 . 1 . . . . 105 VAL CG2 . 16881 1 1247 . 1 1 105 105 VAL N N 15 128.7 0.2 . 1 . . . . 105 VAL N . 16881 1 1248 . 1 1 106 106 MET H H 1 8.82 0.02 . 1 . . . . 106 MET H . 16881 1 1249 . 1 1 106 106 MET HA H 1 4.89 0.02 . 1 . . . . 106 MET HA . 16881 1 1250 . 1 1 106 106 MET HB2 H 1 1.15 0.02 . 2 . . . . 106 MET HB2 . 16881 1 1251 . 1 1 106 106 MET HB3 H 1 1.69 0.02 . 2 . . . . 106 MET HB3 . 16881 1 1252 . 1 1 106 106 MET HE1 H 1 0.69 0.02 . 1 . . . . 106 MET HE . 16881 1 1253 . 1 1 106 106 MET HE2 H 1 0.69 0.02 . 1 . . . . 106 MET HE . 16881 1 1254 . 1 1 106 106 MET HE3 H 1 0.69 0.02 . 1 . . . . 106 MET HE . 16881 1 1255 . 1 1 106 106 MET HG2 H 1 1.37 0.02 . 2 . . . . 106 MET HG2 . 16881 1 1256 . 1 1 106 106 MET HG3 H 1 1.46 0.02 . 2 . . . . 106 MET HG3 . 16881 1 1257 . 1 1 106 106 MET C C 13 172.3 0.2 . 1 . . . . 106 MET C . 16881 1 1258 . 1 1 106 106 MET CA C 13 53.8 0.2 . 1 . . . . 106 MET CA . 16881 1 1259 . 1 1 106 106 MET CB C 13 36.2 0.2 . 1 . . . . 106 MET CB . 16881 1 1260 . 1 1 106 106 MET CE C 13 17.8 0.2 . 1 . . . . 106 MET CE . 16881 1 1261 . 1 1 106 106 MET CG C 13 30.4 0.2 . 1 . . . . 106 MET CG . 16881 1 1262 . 1 1 106 106 MET N N 15 128.7 0.2 . 1 . . . . 106 MET N . 16881 1 1263 . 1 1 107 107 ARG H H 1 9.09 0.02 . 1 . . . . 107 ARG H . 16881 1 1264 . 1 1 107 107 ARG HA H 1 5.02 0.02 . 1 . . . . 107 ARG HA . 16881 1 1265 . 1 1 107 107 ARG HB2 H 1 1.56 0.02 . 2 . . . . 107 ARG HB2 . 16881 1 1266 . 1 1 107 107 ARG HB3 H 1 1.78 0.02 . 2 . . . . 107 ARG HB3 . 16881 1 1267 . 1 1 107 107 ARG HD2 H 1 3.04 0.02 . 2 . . . . 107 ARG HD2 . 16881 1 1268 . 1 1 107 107 ARG HD3 H 1 3.20 0.02 . 2 . . . . 107 ARG HD3 . 16881 1 1269 . 1 1 107 107 ARG HE H 1 7.73 0.02 . 1 . . . . 107 ARG HE . 16881 1 1270 . 1 1 107 107 ARG HG2 H 1 1.52 0.02 . 2 . . . . 107 ARG HG2 . 16881 1 1271 . 1 1 107 107 ARG HG3 H 1 1.59 0.02 . 2 . . . . 107 ARG HG3 . 16881 1 1272 . 1 1 107 107 ARG C C 13 175.1 0.2 . 1 . . . . 107 ARG C . 16881 1 1273 . 1 1 107 107 ARG CA C 13 54.0 0.2 . 1 . . . . 107 ARG CA . 16881 1 1274 . 1 1 107 107 ARG CB C 13 34.5 0.2 . 1 . . . . 107 ARG CB . 16881 1 1275 . 1 1 107 107 ARG CD C 13 43.7 0.2 . 1 . . . . 107 ARG CD . 16881 1 1276 . 1 1 107 107 ARG CG C 13 26.9 0.2 . 1 . . . . 107 ARG CG . 16881 1 1277 . 1 1 107 107 ARG N N 15 127.8 0.2 . 1 . . . . 107 ARG N . 16881 1 1278 . 1 1 107 107 ARG NE N 15 84.5 0.2 . 1 . . . . 107 ARG NE . 16881 1 1279 . 1 1 108 108 TRP H H 1 9.41 0.02 . 1 . . . . 108 TRP H . 16881 1 1280 . 1 1 108 108 TRP HA H 1 5.92 0.02 . 1 . . . . 108 TRP HA . 16881 1 1281 . 1 1 108 108 TRP HB2 H 1 2.98 0.02 . 2 . . . . 108 TRP HB2 . 16881 1 1282 . 1 1 108 108 TRP HB3 H 1 3.23 0.02 . 2 . . . . 108 TRP HB3 . 16881 1 1283 . 1 1 108 108 TRP HD1 H 1 6.22 0.02 . 1 . . . . 108 TRP HD1 . 16881 1 1284 . 1 1 108 108 TRP HE1 H 1 6.94 0.02 . 1 . . . . 108 TRP HE1 . 16881 1 1285 . 1 1 108 108 TRP HH2 H 1 6.63 0.02 . 1 . . . . 108 TRP HH2 . 16881 1 1286 . 1 1 108 108 TRP HZ2 H 1 6.13 0.02 . 1 . . . . 108 TRP HZ2 . 16881 1 1287 . 1 1 108 108 TRP C C 13 176.6 0.2 . 1 . . . . 108 TRP C . 16881 1 1288 . 1 1 108 108 TRP CA C 13 53.8 0.2 . 1 . . . . 108 TRP CA . 16881 1 1289 . 1 1 108 108 TRP CB C 13 33.2 0.2 . 1 . . . . 108 TRP CB . 16881 1 1290 . 1 1 108 108 TRP CD1 C 13 122.8 0.2 . 1 . . . . 108 TRP CD1 . 16881 1 1291 . 1 1 108 108 TRP CH2 C 13 123.8 0.2 . 1 . . . . 108 TRP CH2 . 16881 1 1292 . 1 1 108 108 TRP CZ2 C 13 112.9 0.2 . 1 . . . . 108 TRP CZ2 . 16881 1 1293 . 1 1 108 108 TRP N N 15 126.5 0.2 . 1 . . . . 108 TRP N . 16881 1 1294 . 1 1 108 108 TRP NE1 N 15 121.2 0.2 . 1 . . . . 108 TRP NE1 . 16881 1 1295 . 1 1 109 109 THR H H 1 9.91 0.02 . 1 . . . . 109 THR H . 16881 1 1296 . 1 1 109 109 THR HA H 1 5.43 0.02 . 1 . . . . 109 THR HA . 16881 1 1297 . 1 1 109 109 THR HB H 1 4.09 0.02 . 1 . . . . 109 THR HB . 16881 1 1298 . 1 1 109 109 THR HG21 H 1 1.32 0.02 . 1 . . . . 109 THR HG2 . 16881 1 1299 . 1 1 109 109 THR HG22 H 1 1.32 0.02 . 1 . . . . 109 THR HG2 . 16881 1 1300 . 1 1 109 109 THR HG23 H 1 1.32 0.02 . 1 . . . . 109 THR HG2 . 16881 1 1301 . 1 1 109 109 THR C C 13 174.1 0.2 . 1 . . . . 109 THR C . 16881 1 1302 . 1 1 109 109 THR CA C 13 61.0 0.2 . 1 . . . . 109 THR CA . 16881 1 1303 . 1 1 109 109 THR CB C 13 71.2 0.2 . 1 . . . . 109 THR CB . 16881 1 1304 . 1 1 109 109 THR CG2 C 13 21.9 0.2 . 1 . . . . 109 THR CG2 . 16881 1 1305 . 1 1 109 109 THR N N 15 122.6 0.2 . 1 . . . . 109 THR N . 16881 1 1306 . 1 1 110 110 GLN H H 1 8.54 0.02 . 1 . . . . 110 GLN H . 16881 1 1307 . 1 1 110 110 GLN HA H 1 5.57 0.02 . 1 . . . . 110 GLN HA . 16881 1 1308 . 1 1 110 110 GLN HB2 H 1 1.91 0.02 . 2 . . . . 110 GLN HB2 . 16881 1 1309 . 1 1 110 110 GLN HB3 H 1 2.49 0.02 . 2 . . . . 110 GLN HB3 . 16881 1 1310 . 1 1 110 110 GLN HE21 H 1 7.01 0.02 . 2 . . . . 110 GLN HE21 . 16881 1 1311 . 1 1 110 110 GLN HE22 H 1 7.04 0.02 . 2 . . . . 110 GLN HE22 . 16881 1 1312 . 1 1 110 110 GLN HG2 H 1 2.18 0.02 . 2 . . . . 110 GLN HG2 . 16881 1 1313 . 1 1 110 110 GLN HG3 H 1 2.37 0.02 . 2 . . . . 110 GLN HG3 . 16881 1 1314 . 1 1 110 110 GLN C C 13 173.5 0.2 . 1 . . . . 110 GLN C . 16881 1 1315 . 1 1 110 110 GLN CA C 13 55.1 0.2 . 1 . . . . 110 GLN CA . 16881 1 1316 . 1 1 110 110 GLN CB C 13 30.7 0.2 . 1 . . . . 110 GLN CB . 16881 1 1317 . 1 1 110 110 GLN CD C 13 178.9 0.2 . 1 . . . . 110 GLN CD . 16881 1 1318 . 1 1 110 110 GLN CG C 13 35.8 0.2 . 1 . . . . 110 GLN CG . 16881 1 1319 . 1 1 110 110 GLN N N 15 122.4 0.2 . 1 . . . . 110 GLN N . 16881 1 1320 . 1 1 110 110 GLN NE2 N 15 110.3 0.2 . 1 . . . . 110 GLN NE2 . 16881 1 1321 . 1 1 111 111 ASP H H 1 8.98 0.02 . 1 . . . . 111 ASP H . 16881 1 1322 . 1 1 111 111 ASP HA H 1 5.61 0.02 . 1 . . . . 111 ASP HA . 16881 1 1323 . 1 1 111 111 ASP HB2 H 1 2.68 0.02 . 2 . . . . 111 ASP HB2 . 16881 1 1324 . 1 1 111 111 ASP HB3 H 1 2.92 0.02 . 2 . . . . 111 ASP HB3 . 16881 1 1325 . 1 1 111 111 ASP C C 13 173.5 0.2 . 1 . . . . 111 ASP C . 16881 1 1326 . 1 1 111 111 ASP CA C 13 54.8 0.2 . 1 . . . . 111 ASP CA . 16881 1 1327 . 1 1 111 111 ASP CB C 13 45.7 0.2 . 1 . . . . 111 ASP CB . 16881 1 1328 . 1 1 111 111 ASP N N 15 121.4 0.2 . 1 . . . . 111 ASP N . 16881 1 1329 . 1 1 112 112 PHE H H 1 7.81 0.02 . 1 . . . . 112 PHE H . 16881 1 1330 . 1 1 112 112 PHE HA H 1 4.87 0.02 . 1 . . . . 112 PHE HA . 16881 1 1331 . 1 1 112 112 PHE HB2 H 1 3.05 0.02 . 2 . . . . 112 PHE HB2 . 16881 1 1332 . 1 1 112 112 PHE HB3 H 1 3.41 0.02 . 2 . . . . 112 PHE HB3 . 16881 1 1333 . 1 1 112 112 PHE HD1 H 1 6.75 0.02 . 3 . . . . 112 PHE HD1 . 16881 1 1334 . 1 1 112 112 PHE C C 13 172.4 0.2 . 1 . . . . 112 PHE C . 16881 1 1335 . 1 1 112 112 PHE CA C 13 56.3 0.2 . 1 . . . . 112 PHE CA . 16881 1 1336 . 1 1 112 112 PHE CB C 13 42.6 0.2 . 1 . . . . 112 PHE CB . 16881 1 1337 . 1 1 112 112 PHE N N 15 117.7 0.2 . 1 . . . . 112 PHE N . 16881 1 1338 . 1 1 113 113 ALA H H 1 6.75 0.02 . 1 . . . . 113 ALA H . 16881 1 1339 . 1 1 113 113 ALA HA H 1 4.72 0.02 . 1 . . . . 113 ALA HA . 16881 1 1340 . 1 1 113 113 ALA HB1 H 1 1.31 0.02 . 1 . . . . 113 ALA HB . 16881 1 1341 . 1 1 113 113 ALA HB2 H 1 1.31 0.02 . 1 . . . . 113 ALA HB . 16881 1 1342 . 1 1 113 113 ALA HB3 H 1 1.31 0.02 . 1 . . . . 113 ALA HB . 16881 1 1343 . 1 1 113 113 ALA C C 13 177.2 0.2 . 1 . . . . 113 ALA C . 16881 1 1344 . 1 1 113 113 ALA CA C 13 51.4 0.2 . 1 . . . . 113 ALA CA . 16881 1 1345 . 1 1 113 113 ALA CB C 13 22.0 0.2 . 1 . . . . 113 ALA CB . 16881 1 1346 . 1 1 113 113 ALA N N 15 115.3 0.2 . 1 . . . . 113 ALA N . 16881 1 1347 . 1 1 114 114 MET H H 1 10.80 0.02 . 1 . . . . 114 MET H . 16881 1 1348 . 1 1 114 114 MET HA H 1 4.88 0.02 . 1 . . . . 114 MET HA . 16881 1 1349 . 1 1 114 114 MET HB2 H 1 1.99 0.02 . 2 . . . . 114 MET HB2 . 16881 1 1350 . 1 1 114 114 MET HB3 H 1 2.04 0.02 . 2 . . . . 114 MET HB3 . 16881 1 1351 . 1 1 114 114 MET HE1 H 1 1.05 0.02 . 1 . . . . 114 MET HE . 16881 1 1352 . 1 1 114 114 MET HE2 H 1 1.05 0.02 . 1 . . . . 114 MET HE . 16881 1 1353 . 1 1 114 114 MET HE3 H 1 1.05 0.02 . 1 . . . . 114 MET HE . 16881 1 1354 . 1 1 114 114 MET HG2 H 1 2.61 0.02 . 2 . . . . 114 MET HG2 . 16881 1 1355 . 1 1 114 114 MET HG3 H 1 3.01 0.02 . 2 . . . . 114 MET HG3 . 16881 1 1356 . 1 1 114 114 MET C C 13 179.5 0.2 . 1 . . . . 114 MET C . 16881 1 1357 . 1 1 114 114 MET CA C 13 53.9 0.2 . 1 . . . . 114 MET CA . 16881 1 1358 . 1 1 114 114 MET CB C 13 30.0 0.2 . 1 . . . . 114 MET CB . 16881 1 1359 . 1 1 114 114 MET CE C 13 13.3 0.2 . 1 . . . . 114 MET CE . 16881 1 1360 . 1 1 114 114 MET CG C 13 29.5 0.2 . 1 . . . . 114 MET CG . 16881 1 1361 . 1 1 114 114 MET N N 15 124.6 0.2 . 1 . . . . 114 MET N . 16881 1 1362 . 1 1 115 115 LYS H H 1 8.92 0.02 . 1 . . . . 115 LYS H . 16881 1 1363 . 1 1 115 115 LYS HA H 1 4.26 0.02 . 1 . . . . 115 LYS HA . 16881 1 1364 . 1 1 115 115 LYS HB2 H 1 1.62 0.02 . 2 . . . . 115 LYS HB2 . 16881 1 1365 . 1 1 115 115 LYS HB3 H 1 1.98 0.02 . 2 . . . . 115 LYS HB3 . 16881 1 1366 . 1 1 115 115 LYS CA C 13 57.2 0.2 . 1 . . . . 115 LYS CA . 16881 1 1367 . 1 1 115 115 LYS CB C 13 32.5 0.2 . 1 . . . . 115 LYS CB . 16881 1 1368 . 1 1 115 115 LYS N N 15 123.5 0.2 . 1 . . . . 115 LYS N . 16881 1 1369 . 1 1 116 116 PRO HA H 1 4.37 0.02 . 1 . . . . 116 PRO HA . 16881 1 1370 . 1 1 116 116 PRO HB2 H 1 1.97 0.02 . 2 . . . . 116 PRO HB2 . 16881 1 1371 . 1 1 116 116 PRO HB3 H 1 2.38 0.02 . 2 . . . . 116 PRO HB3 . 16881 1 1372 . 1 1 116 116 PRO HD2 H 1 3.73 0.02 . 2 . . . . 116 PRO HD2 . 16881 1 1373 . 1 1 116 116 PRO HD3 H 1 3.78 0.02 . 2 . . . . 116 PRO HD3 . 16881 1 1374 . 1 1 116 116 PRO C C 13 176.3 0.2 . 1 . . . . 116 PRO C . 16881 1 1375 . 1 1 116 116 PRO CA C 13 64.7 0.2 . 1 . . . . 116 PRO CA . 16881 1 1376 . 1 1 116 116 PRO CB C 13 31.7 0.2 . 1 . . . . 116 PRO CB . 16881 1 1377 . 1 1 116 116 PRO CD C 13 50.4 0.2 . 1 . . . . 116 PRO CD . 16881 1 1378 . 1 1 116 116 PRO CG C 13 27.4 0.2 . 1 . . . . 116 PRO CG . 16881 1 1379 . 1 1 117 117 ASP H H 1 8.10 0.02 . 1 . . . . 117 ASP H . 16881 1 1380 . 1 1 117 117 ASP HA H 1 4.57 0.02 . 1 . . . . 117 ASP HA . 16881 1 1381 . 1 1 117 117 ASP HB2 H 1 2.52 0.02 . 2 . . . . 117 ASP HB2 . 16881 1 1382 . 1 1 117 117 ASP HB3 H 1 2.82 0.02 . 2 . . . . 117 ASP HB3 . 16881 1 1383 . 1 1 117 117 ASP C C 13 176.0 0.2 . 1 . . . . 117 ASP C . 16881 1 1384 . 1 1 117 117 ASP CA C 13 52.4 0.2 . 1 . . . . 117 ASP CA . 16881 1 1385 . 1 1 117 117 ASP CB C 13 39.4 0.2 . 1 . . . . 117 ASP CB . 16881 1 1386 . 1 1 117 117 ASP N N 15 112.9 0.2 . 1 . . . . 117 ASP N . 16881 1 1387 . 1 1 118 118 ALA H H 1 7.41 0.02 . 1 . . . . 118 ALA H . 16881 1 1388 . 1 1 118 118 ALA HA H 1 4.41 0.02 . 1 . . . . 118 ALA HA . 16881 1 1389 . 1 1 118 118 ALA HB1 H 1 1.54 0.02 . 1 . . . . 118 ALA HB . 16881 1 1390 . 1 1 118 118 ALA HB2 H 1 1.54 0.02 . 1 . . . . 118 ALA HB . 16881 1 1391 . 1 1 118 118 ALA HB3 H 1 1.54 0.02 . 1 . . . . 118 ALA HB . 16881 1 1392 . 1 1 118 118 ALA CA C 13 51.1 0.2 . 1 . . . . 118 ALA CA . 16881 1 1393 . 1 1 118 118 ALA CB C 13 19.1 0.2 . 1 . . . . 118 ALA CB . 16881 1 1394 . 1 1 118 118 ALA N N 15 122.9 0.2 . 1 . . . . 118 ALA N . 16881 1 1395 . 1 1 119 119 PRO HA H 1 4.31 0.02 . 1 . . . . 119 PRO HA . 16881 1 1396 . 1 1 119 119 PRO HB2 H 1 1.82 0.02 . 2 . . . . 119 PRO HB2 . 16881 1 1397 . 1 1 119 119 PRO HB3 H 1 2.16 0.02 . 2 . . . . 119 PRO HB3 . 16881 1 1398 . 1 1 119 119 PRO HD2 H 1 3.38 0.02 . 2 . . . . 119 PRO HD2 . 16881 1 1399 . 1 1 119 119 PRO HD3 H 1 3.71 0.02 . 2 . . . . 119 PRO HD3 . 16881 1 1400 . 1 1 119 119 PRO HG2 H 1 1.73 0.02 . 2 . . . . 119 PRO HG2 . 16881 1 1401 . 1 1 119 119 PRO HG3 H 1 1.97 0.02 . 2 . . . . 119 PRO HG3 . 16881 1 1402 . 1 1 119 119 PRO C C 13 175.5 0.2 . 1 . . . . 119 PRO C . 16881 1 1403 . 1 1 119 119 PRO CA C 13 64.1 0.2 . 1 . . . . 119 PRO CA . 16881 1 1404 . 1 1 119 119 PRO CB C 13 31.9 0.2 . 1 . . . . 119 PRO CB . 16881 1 1405 . 1 1 119 119 PRO CD C 13 49.9 0.2 . 1 . . . . 119 PRO CD . 16881 1 1406 . 1 1 119 119 PRO CG C 13 27.0 0.2 . 1 . . . . 119 PRO CG . 16881 1 1407 . 1 1 120 120 VAL H H 1 6.49 0.02 . 1 . . . . 120 VAL H . 16881 1 1408 . 1 1 120 120 VAL HA H 1 4.37 0.02 . 1 . . . . 120 VAL HA . 16881 1 1409 . 1 1 120 120 VAL HB H 1 1.72 0.02 . 1 . . . . 120 VAL HB . 16881 1 1410 . 1 1 120 120 VAL HG11 H 1 -0.45 0.02 . 1 . . . . 120 VAL HG1 . 16881 1 1411 . 1 1 120 120 VAL HG12 H 1 -0.45 0.02 . 1 . . . . 120 VAL HG1 . 16881 1 1412 . 1 1 120 120 VAL HG13 H 1 -0.45 0.02 . 1 . . . . 120 VAL HG1 . 16881 1 1413 . 1 1 120 120 VAL HG21 H 1 0.47 0.02 . 1 . . . . 120 VAL HG2 . 16881 1 1414 . 1 1 120 120 VAL HG22 H 1 0.47 0.02 . 1 . . . . 120 VAL HG2 . 16881 1 1415 . 1 1 120 120 VAL HG23 H 1 0.47 0.02 . 1 . . . . 120 VAL HG2 . 16881 1 1416 . 1 1 120 120 VAL C C 13 173.6 0.2 . 1 . . . . 120 VAL C . 16881 1 1417 . 1 1 120 120 VAL CA C 13 57.8 0.2 . 1 . . . . 120 VAL CA . 16881 1 1418 . 1 1 120 120 VAL CB C 13 35.4 0.2 . 1 . . . . 120 VAL CB . 16881 1 1419 . 1 1 120 120 VAL CG1 C 13 19.9 0.2 . 1 . . . . 120 VAL CG1 . 16881 1 1420 . 1 1 120 120 VAL CG2 C 13 17.9 0.2 . 1 . . . . 120 VAL CG2 . 16881 1 1421 . 1 1 120 120 VAL N N 15 107.9 0.2 . 1 . . . . 120 VAL N . 16881 1 1422 . 1 1 121 121 ASP H H 1 7.64 0.02 . 1 . . . . 121 ASP H . 16881 1 1423 . 1 1 121 121 ASP HA H 1 4.79 0.02 . 1 . . . . 121 ASP HA . 16881 1 1424 . 1 1 121 121 ASP HB2 H 1 2.69 0.02 . 2 . . . . 121 ASP HB2 . 16881 1 1425 . 1 1 121 121 ASP HB3 H 1 3.25 0.02 . 2 . . . . 121 ASP HB3 . 16881 1 1426 . 1 1 121 121 ASP C C 13 176.5 0.2 . 1 . . . . 121 ASP C . 16881 1 1427 . 1 1 121 121 ASP CA C 13 51.2 0.2 . 1 . . . . 121 ASP CA . 16881 1 1428 . 1 1 121 121 ASP CB C 13 43.1 0.2 . 1 . . . . 121 ASP CB . 16881 1 1429 . 1 1 121 121 ASP N N 15 118.1 0.2 . 1 . . . . 121 ASP N . 16881 1 1430 . 1 1 122 122 ASP H H 1 8.35 0.02 . 1 . . . . 122 ASP H . 16881 1 1431 . 1 1 122 122 ASP HA H 1 4.49 0.02 . 1 . . . . 122 ASP HA . 16881 1 1432 . 1 1 122 122 ASP HB2 H 1 2.34 0.02 . 2 . . . . 122 ASP HB2 . 16881 1 1433 . 1 1 122 122 ASP HB3 H 1 2.55 0.02 . 2 . . . . 122 ASP HB3 . 16881 1 1434 . 1 1 122 122 ASP C C 13 179.5 0.2 . 1 . . . . 122 ASP C . 16881 1 1435 . 1 1 122 122 ASP CA C 13 58.8 0.2 . 1 . . . . 122 ASP CA . 16881 1 1436 . 1 1 122 122 ASP CB C 13 40.6 0.2 . 1 . . . . 122 ASP CB . 16881 1 1437 . 1 1 122 122 ASP N N 15 117.1 0.2 . 1 . . . . 122 ASP N . 16881 1 1438 . 1 1 123 123 ALA H H 1 8.38 0.02 . 1 . . . . 123 ALA H . 16881 1 1439 . 1 1 123 123 ALA HA H 1 4.21 0.02 . 1 . . . . 123 ALA HA . 16881 1 1440 . 1 1 123 123 ALA HB1 H 1 1.58 0.02 . 1 . . . . 123 ALA HB . 16881 1 1441 . 1 1 123 123 ALA HB2 H 1 1.58 0.02 . 1 . . . . 123 ALA HB . 16881 1 1442 . 1 1 123 123 ALA HB3 H 1 1.58 0.02 . 1 . . . . 123 ALA HB . 16881 1 1443 . 1 1 123 123 ALA C C 13 180.3 0.2 . 1 . . . . 123 ALA C . 16881 1 1444 . 1 1 123 123 ALA CA C 13 56.0 0.2 . 1 . . . . 123 ALA CA . 16881 1 1445 . 1 1 123 123 ALA CB C 13 18.2 0.2 . 1 . . . . 123 ALA CB . 16881 1 1446 . 1 1 123 123 ALA N N 15 125.9 0.2 . 1 . . . . 123 ALA N . 16881 1 1447 . 1 1 124 124 TRP H H 1 8.65 0.02 . 1 . . . . 124 TRP H . 16881 1 1448 . 1 1 124 124 TRP HA H 1 4.12 0.02 . 1 . . . . 124 TRP HA . 16881 1 1449 . 1 1 124 124 TRP HB2 H 1 3.51 0.02 . 2 . . . . 124 TRP HB2 . 16881 1 1450 . 1 1 124 124 TRP HB3 H 1 3.55 0.02 . 2 . . . . 124 TRP HB3 . 16881 1 1451 . 1 1 124 124 TRP HD1 H 1 7.35 0.02 . 1 . . . . 124 TRP HD1 . 16881 1 1452 . 1 1 124 124 TRP HE1 H 1 10.12 0.02 . 1 . . . . 124 TRP HE1 . 16881 1 1453 . 1 1 124 124 TRP HH2 H 1 7.05 0.02 . 1 . . . . 124 TRP HH2 . 16881 1 1454 . 1 1 124 124 TRP HZ2 H 1 7.43 0.02 . 1 . . . . 124 TRP HZ2 . 16881 1 1455 . 1 1 124 124 TRP C C 13 180.7 0.2 . 1 . . . . 124 TRP C . 16881 1 1456 . 1 1 124 124 TRP CA C 13 62.0 0.2 . 1 . . . . 124 TRP CA . 16881 1 1457 . 1 1 124 124 TRP CB C 13 30.6 0.2 . 1 . . . . 124 TRP CB . 16881 1 1458 . 1 1 124 124 TRP CD1 C 13 128.2 0.2 . 1 . . . . 124 TRP CD1 . 16881 1 1459 . 1 1 124 124 TRP CH2 C 13 124.3 0.2 . 1 . . . . 124 TRP CH2 . 16881 1 1460 . 1 1 124 124 TRP CZ2 C 13 114.7 0.2 . 1 . . . . 124 TRP CZ2 . 16881 1 1461 . 1 1 124 124 TRP N N 15 122.5 0.2 . 1 . . . . 124 TRP N . 16881 1 1462 . 1 1 124 124 TRP NE1 N 15 129.6 0.2 . 1 . . . . 124 TRP NE1 . 16881 1 1463 . 1 1 125 125 MET H H 1 8.93 0.02 . 1 . . . . 125 MET H . 16881 1 1464 . 1 1 125 125 MET HA H 1 4.62 0.02 . 1 . . . . 125 MET HA . 16881 1 1465 . 1 1 125 125 MET HB2 H 1 2.26 0.02 . 2 . . . . 125 MET HB2 . 16881 1 1466 . 1 1 125 125 MET HB3 H 1 2.30 0.02 . 2 . . . . 125 MET HB3 . 16881 1 1467 . 1 1 125 125 MET HE1 H 1 1.90 0.02 . 1 . . . . 125 MET HE . 16881 1 1468 . 1 1 125 125 MET HE2 H 1 1.90 0.02 . 1 . . . . 125 MET HE . 16881 1 1469 . 1 1 125 125 MET HE3 H 1 1.90 0.02 . 1 . . . . 125 MET HE . 16881 1 1470 . 1 1 125 125 MET HG2 H 1 2.02 0.02 . 2 . . . . 125 MET HG2 . 16881 1 1471 . 1 1 125 125 MET HG3 H 1 2.67 0.02 . 2 . . . . 125 MET HG3 . 16881 1 1472 . 1 1 125 125 MET C C 13 177.5 0.2 . 1 . . . . 125 MET C . 16881 1 1473 . 1 1 125 125 MET CA C 13 56.6 0.2 . 1 . . . . 125 MET CA . 16881 1 1474 . 1 1 125 125 MET CB C 13 30.6 0.2 . 1 . . . . 125 MET CB . 16881 1 1475 . 1 1 125 125 MET CE C 13 16.2 0.2 . 1 . . . . 125 MET CE . 16881 1 1476 . 1 1 125 125 MET CG C 13 31.8 0.2 . 1 . . . . 125 MET CG . 16881 1 1477 . 1 1 125 125 MET N N 15 118.2 0.2 . 1 . . . . 125 MET N . 16881 1 1478 . 1 1 126 126 THR H H 1 8.79 0.02 . 1 . . . . 126 THR H . 16881 1 1479 . 1 1 126 126 THR HA H 1 3.79 0.02 . 1 . . . . 126 THR HA . 16881 1 1480 . 1 1 126 126 THR HB H 1 4.52 0.02 . 1 . . . . 126 THR HB . 16881 1 1481 . 1 1 126 126 THR HG1 H 1 5.30 0.02 . 1 . . . . 126 THR HG1 . 16881 1 1482 . 1 1 126 126 THR HG21 H 1 1.36 0.02 . 1 . . . . 126 THR HG2 . 16881 1 1483 . 1 1 126 126 THR HG22 H 1 1.36 0.02 . 1 . . . . 126 THR HG2 . 16881 1 1484 . 1 1 126 126 THR HG23 H 1 1.36 0.02 . 1 . . . . 126 THR HG2 . 16881 1 1485 . 1 1 126 126 THR C C 13 175.0 0.2 . 1 . . . . 126 THR C . 16881 1 1486 . 1 1 126 126 THR CA C 13 68.1 0.2 . 1 . . . . 126 THR CA . 16881 1 1487 . 1 1 126 126 THR CB C 13 69.1 0.2 . 1 . . . . 126 THR CB . 16881 1 1488 . 1 1 126 126 THR CG2 C 13 21.2 0.2 . 1 . . . . 126 THR CG2 . 16881 1 1489 . 1 1 126 126 THR N N 15 119.1 0.2 . 1 . . . . 126 THR N . 16881 1 1490 . 1 1 127 127 ASP H H 1 7.24 0.02 . 1 . . . . 127 ASP H . 16881 1 1491 . 1 1 127 127 ASP HA H 1 4.41 0.02 . 1 . . . . 127 ASP HA . 16881 1 1492 . 1 1 127 127 ASP HB2 H 1 2.51 0.02 . 2 . . . . 127 ASP HB2 . 16881 1 1493 . 1 1 127 127 ASP HB3 H 1 2.66 0.02 . 2 . . . . 127 ASP HB3 . 16881 1 1494 . 1 1 127 127 ASP C C 13 177.8 0.2 . 1 . . . . 127 ASP C . 16881 1 1495 . 1 1 127 127 ASP CA C 13 57.6 0.2 . 1 . . . . 127 ASP CA . 16881 1 1496 . 1 1 127 127 ASP CB C 13 41.0 0.2 . 1 . . . . 127 ASP CB . 16881 1 1497 . 1 1 127 127 ASP N N 15 120.0 0.2 . 1 . . . . 127 ASP N . 16881 1 1498 . 1 1 128 128 ASN H H 1 7.91 0.02 . 1 . . . . 128 ASN H . 16881 1 1499 . 1 1 128 128 ASN HA H 1 3.93 0.02 . 1 . . . . 128 ASN HA . 16881 1 1500 . 1 1 128 128 ASN HB2 H 1 1.62 0.02 . 2 . . . . 128 ASN HB2 . 16881 1 1501 . 1 1 128 128 ASN HB3 H 1 2.52 0.02 . 2 . . . . 128 ASN HB3 . 16881 1 1502 . 1 1 128 128 ASN HD21 H 1 6.57 0.02 . 2 . . . . 128 ASN HD21 . 16881 1 1503 . 1 1 128 128 ASN HD22 H 1 7.02 0.02 . 2 . . . . 128 ASN HD22 . 16881 1 1504 . 1 1 128 128 ASN C C 13 177.2 0.2 . 1 . . . . 128 ASN C . 16881 1 1505 . 1 1 128 128 ASN CA C 13 57.6 0.2 . 1 . . . . 128 ASN CA . 16881 1 1506 . 1 1 128 128 ASN CB C 13 40.6 0.2 . 1 . . . . 128 ASN CB . 16881 1 1507 . 1 1 128 128 ASN CG C 13 175.2 0.2 . 1 . . . . 128 ASN CG . 16881 1 1508 . 1 1 128 128 ASN N N 15 118.5 0.2 . 1 . . . . 128 ASN N . 16881 1 1509 . 1 1 128 128 ASN ND2 N 15 113.7 0.2 . 1 . . . . 128 ASN ND2 . 16881 1 1510 . 1 1 129 129 ILE H H 1 8.93 0.02 . 1 . . . . 129 ILE H . 16881 1 1511 . 1 1 129 129 ILE HA H 1 3.72 0.02 . 1 . . . . 129 ILE HA . 16881 1 1512 . 1 1 129 129 ILE HB H 1 1.71 0.02 . 1 . . . . 129 ILE HB . 16881 1 1513 . 1 1 129 129 ILE HD11 H 1 0.12 0.02 . 1 . . . . 129 ILE HD1 . 16881 1 1514 . 1 1 129 129 ILE HD12 H 1 0.12 0.02 . 1 . . . . 129 ILE HD1 . 16881 1 1515 . 1 1 129 129 ILE HD13 H 1 0.12 0.02 . 1 . . . . 129 ILE HD1 . 16881 1 1516 . 1 1 129 129 ILE HG12 H 1 0.82 0.02 . 2 . . . . 129 ILE HG12 . 16881 1 1517 . 1 1 129 129 ILE HG13 H 1 1.57 0.02 . 2 . . . . 129 ILE HG13 . 16881 1 1518 . 1 1 129 129 ILE HG21 H 1 0.70 0.02 . 1 . . . . 129 ILE HG2 . 16881 1 1519 . 1 1 129 129 ILE HG22 H 1 0.70 0.02 . 1 . . . . 129 ILE HG2 . 16881 1 1520 . 1 1 129 129 ILE HG23 H 1 0.70 0.02 . 1 . . . . 129 ILE HG2 . 16881 1 1521 . 1 1 129 129 ILE C C 13 180.6 0.2 . 1 . . . . 129 ILE C . 16881 1 1522 . 1 1 129 129 ILE CA C 13 65.5 0.2 . 1 . . . . 129 ILE CA . 16881 1 1523 . 1 1 129 129 ILE CB C 13 37.4 0.2 . 1 . . . . 129 ILE CB . 16881 1 1524 . 1 1 129 129 ILE CD1 C 13 14.2 0.2 . 1 . . . . 129 ILE CD1 . 16881 1 1525 . 1 1 129 129 ILE CG1 C 13 29.8 0.2 . 1 . . . . 129 ILE CG1 . 16881 1 1526 . 1 1 129 129 ILE CG2 C 13 18.3 0.2 . 1 . . . . 129 ILE CG2 . 16881 1 1527 . 1 1 129 129 ILE N N 15 119.4 0.2 . 1 . . . . 129 ILE N . 16881 1 1528 . 1 1 130 130 ASN H H 1 8.67 0.02 . 1 . . . . 130 ASN H . 16881 1 1529 . 1 1 130 130 ASN HA H 1 4.51 0.02 . 1 . . . . 130 ASN HA . 16881 1 1530 . 1 1 130 130 ASN HB2 H 1 2.77 0.02 . 2 . . . . 130 ASN HB2 . 16881 1 1531 . 1 1 130 130 ASN HB3 H 1 3.03 0.02 . 2 . . . . 130 ASN HB3 . 16881 1 1532 . 1 1 130 130 ASN HD21 H 1 7.02 0.02 . 2 . . . . 130 ASN HD21 . 16881 1 1533 . 1 1 130 130 ASN HD22 H 1 7.76 0.02 . 2 . . . . 130 ASN HD22 . 16881 1 1534 . 1 1 130 130 ASN C C 13 177.0 0.2 . 1 . . . . 130 ASN C . 16881 1 1535 . 1 1 130 130 ASN CA C 13 57.6 0.2 . 1 . . . . 130 ASN CA . 16881 1 1536 . 1 1 130 130 ASN CB C 13 38.1 0.2 . 1 . . . . 130 ASN CB . 16881 1 1537 . 1 1 130 130 ASN CG C 13 175.7 0.2 . 1 . . . . 130 ASN CG . 16881 1 1538 . 1 1 130 130 ASN N N 15 122.9 0.2 . 1 . . . . 130 ASN N . 16881 1 1539 . 1 1 130 130 ASN ND2 N 15 112.6 0.2 . 1 . . . . 130 ASN ND2 . 16881 1 1540 . 1 1 131 131 ARG H H 1 8.03 0.02 . 1 . . . . 131 ARG H . 16881 1 1541 . 1 1 131 131 ARG HA H 1 4.48 0.02 . 1 . . . . 131 ARG HA . 16881 1 1542 . 1 1 131 131 ARG HB2 H 1 1.81 0.02 . 2 . . . . 131 ARG HB2 . 16881 1 1543 . 1 1 131 131 ARG HB3 H 1 1.86 0.02 . 2 . . . . 131 ARG HB3 . 16881 1 1544 . 1 1 131 131 ARG HG2 H 1 1.54 0.02 . 2 . . . . 131 ARG HG2 . 16881 1 1545 . 1 1 131 131 ARG HG3 H 1 1.71 0.02 . 2 . . . . 131 ARG HG3 . 16881 1 1546 . 1 1 131 131 ARG C C 13 179.6 0.2 . 1 . . . . 131 ARG C . 16881 1 1547 . 1 1 131 131 ARG CA C 13 60.1 0.2 . 1 . . . . 131 ARG CA . 16881 1 1548 . 1 1 131 131 ARG CB C 13 30.0 0.2 . 1 . . . . 131 ARG CB . 16881 1 1549 . 1 1 131 131 ARG CD C 13 43.2 0.2 . 1 . . . . 131 ARG CD . 16881 1 1550 . 1 1 131 131 ARG CG C 13 27.8 0.2 . 1 . . . . 131 ARG CG . 16881 1 1551 . 1 1 131 131 ARG N N 15 118.5 0.2 . 1 . . . . 131 ARG N . 16881 1 1552 . 1 1 132 132 ASN H H 1 8.42 0.02 . 1 . . . . 132 ASN H . 16881 1 1553 . 1 1 132 132 ASN HA H 1 4.50 0.02 . 1 . . . . 132 ASN HA . 16881 1 1554 . 1 1 132 132 ASN HB2 H 1 2.75 0.02 . 2 . . . . 132 ASN HB2 . 16881 1 1555 . 1 1 132 132 ASN HB3 H 1 2.84 0.02 . 2 . . . . 132 ASN HB3 . 16881 1 1556 . 1 1 132 132 ASN HD21 H 1 7.02 0.02 . 2 . . . . 132 ASN HD21 . 16881 1 1557 . 1 1 132 132 ASN HD22 H 1 7.47 0.02 . 2 . . . . 132 ASN HD22 . 16881 1 1558 . 1 1 132 132 ASN C C 13 178.0 0.2 . 1 . . . . 132 ASN C . 16881 1 1559 . 1 1 132 132 ASN CA C 13 56.5 0.2 . 1 . . . . 132 ASN CA . 16881 1 1560 . 1 1 132 132 ASN CB C 13 38.6 0.2 . 1 . . . . 132 ASN CB . 16881 1 1561 . 1 1 132 132 ASN CG C 13 176.3 0.2 . 1 . . . . 132 ASN CG . 16881 1 1562 . 1 1 132 132 ASN N N 15 117.3 0.2 . 1 . . . . 132 ASN N . 16881 1 1563 . 1 1 132 132 ASN ND2 N 15 114.4 0.2 . 1 . . . . 132 ASN ND2 . 16881 1 1564 . 1 1 133 133 SER H H 1 9.03 0.02 . 1 . . . . 133 SER H . 16881 1 1565 . 1 1 133 133 SER HA H 1 4.39 0.02 . 1 . . . . 133 SER HA . 16881 1 1566 . 1 1 133 133 SER HB2 H 1 3.81 0.02 . 2 . . . . 133 SER HB2 . 16881 1 1567 . 1 1 133 133 SER HB3 H 1 4.14 0.02 . 2 . . . . 133 SER HB3 . 16881 1 1568 . 1 1 133 133 SER C C 13 175.2 0.2 . 1 . . . . 133 SER C . 16881 1 1569 . 1 1 133 133 SER CA C 13 63.2 0.2 . 1 . . . . 133 SER CA . 16881 1 1570 . 1 1 133 133 SER CB C 13 62.9 0.2 . 1 . . . . 133 SER CB . 16881 1 1571 . 1 1 133 133 SER N N 15 116.5 0.2 . 1 . . . . 133 SER N . 16881 1 1572 . 1 1 134 134 ARG H H 1 7.80 0.02 . 1 . . . . 134 ARG H . 16881 1 1573 . 1 1 134 134 ARG HA H 1 3.78 0.02 . 1 . . . . 134 ARG HA . 16881 1 1574 . 1 1 134 134 ARG HB2 H 1 1.83 0.02 . 2 . . . . 134 ARG HB2 . 16881 1 1575 . 1 1 134 134 ARG HB3 H 1 1.88 0.02 . 2 . . . . 134 ARG HB3 . 16881 1 1576 . 1 1 134 134 ARG C C 13 179.6 0.2 . 1 . . . . 134 ARG C . 16881 1 1577 . 1 1 134 134 ARG CA C 13 60.3 0.2 . 1 . . . . 134 ARG CA . 16881 1 1578 . 1 1 134 134 ARG CB C 13 29.8 0.2 . 1 . . . . 134 ARG CB . 16881 1 1579 . 1 1 134 134 ARG CD C 13 43.6 0.2 . 1 . . . . 134 ARG CD . 16881 1 1580 . 1 1 134 134 ARG CG C 13 27.6 0.2 . 1 . . . . 134 ARG CG . 16881 1 1581 . 1 1 134 134 ARG N N 15 120.7 0.2 . 1 . . . . 134 ARG N . 16881 1 1582 . 1 1 135 135 THR H H 1 7.51 0.02 . 1 . . . . 135 THR H . 16881 1 1583 . 1 1 135 135 THR HA H 1 3.89 0.02 . 1 . . . . 135 THR HA . 16881 1 1584 . 1 1 135 135 THR HB H 1 4.29 0.02 . 1 . . . . 135 THR HB . 16881 1 1585 . 1 1 135 135 THR HG21 H 1 1.18 0.02 . 1 . . . . 135 THR HG2 . 16881 1 1586 . 1 1 135 135 THR HG22 H 1 1.18 0.02 . 1 . . . . 135 THR HG2 . 16881 1 1587 . 1 1 135 135 THR HG23 H 1 1.18 0.02 . 1 . . . . 135 THR HG2 . 16881 1 1588 . 1 1 135 135 THR C C 13 177.0 0.2 . 1 . . . . 135 THR C . 16881 1 1589 . 1 1 135 135 THR CA C 13 66.4 0.2 . 1 . . . . 135 THR CA . 16881 1 1590 . 1 1 135 135 THR CB C 13 68.8 0.2 . 1 . . . . 135 THR CB . 16881 1 1591 . 1 1 135 135 THR CG2 C 13 22.0 0.2 . 1 . . . . 135 THR CG2 . 16881 1 1592 . 1 1 135 135 THR N N 15 115.4 0.2 . 1 . . . . 135 THR N . 16881 1 1593 . 1 1 136 136 GLN H H 1 8.59 0.02 . 1 . . . . 136 GLN H . 16881 1 1594 . 1 1 136 136 GLN HA H 1 4.00 0.02 . 1 . . . . 136 GLN HA . 16881 1 1595 . 1 1 136 136 GLN HB2 H 1 1.99 0.02 . 2 . . . . 136 GLN HB2 . 16881 1 1596 . 1 1 136 136 GLN HB3 H 1 2.13 0.02 . 2 . . . . 136 GLN HB3 . 16881 1 1597 . 1 1 136 136 GLN HE21 H 1 6.95 0.02 . 2 . . . . 136 GLN HE21 . 16881 1 1598 . 1 1 136 136 GLN HE22 H 1 7.34 0.02 . 2 . . . . 136 GLN HE22 . 16881 1 1599 . 1 1 136 136 GLN HG2 H 1 2.65 0.02 . 2 . . . . 136 GLN HG2 . 16881 1 1600 . 1 1 136 136 GLN HG3 H 1 2.71 0.02 . 2 . . . . 136 GLN HG3 . 16881 1 1601 . 1 1 136 136 GLN C C 13 178.8 0.2 . 1 . . . . 136 GLN C . 16881 1 1602 . 1 1 136 136 GLN CA C 13 58.7 0.2 . 1 . . . . 136 GLN CA . 16881 1 1603 . 1 1 136 136 GLN CB C 13 28.8 0.2 . 1 . . . . 136 GLN CB . 16881 1 1604 . 1 1 136 136 GLN CD C 13 179.0 0.2 . 1 . . . . 136 GLN CD . 16881 1 1605 . 1 1 136 136 GLN CG C 13 33.8 0.2 . 1 . . . . 136 GLN CG . 16881 1 1606 . 1 1 136 136 GLN N N 15 120.4 0.2 . 1 . . . . 136 GLN N . 16881 1 1607 . 1 1 136 136 GLN NE2 N 15 111.5 0.2 . 1 . . . . 136 GLN NE2 . 16881 1 1608 . 1 1 137 137 MET H H 1 8.64 0.02 . 1 . . . . 137 MET H . 16881 1 1609 . 1 1 137 137 MET HA H 1 2.99 0.02 . 1 . . . . 137 MET HA . 16881 1 1610 . 1 1 137 137 MET HB2 H 1 1.24 0.02 . 2 . . . . 137 MET HB2 . 16881 1 1611 . 1 1 137 137 MET HB3 H 1 1.95 0.02 . 2 . . . . 137 MET HB3 . 16881 1 1612 . 1 1 137 137 MET HE1 H 1 1.20 0.02 . 1 . . . . 137 MET HE . 16881 1 1613 . 1 1 137 137 MET HE2 H 1 1.20 0.02 . 1 . . . . 137 MET HE . 16881 1 1614 . 1 1 137 137 MET HE3 H 1 1.20 0.02 . 1 . . . . 137 MET HE . 16881 1 1615 . 1 1 137 137 MET HG2 H 1 -0.42 0.02 . 2 . . . . 137 MET HG2 . 16881 1 1616 . 1 1 137 137 MET HG3 H 1 1.93 0.02 . 2 . . . . 137 MET HG3 . 16881 1 1617 . 1 1 137 137 MET C C 13 176.8 0.2 . 1 . . . . 137 MET C . 16881 1 1618 . 1 1 137 137 MET CA C 13 60.6 0.2 . 1 . . . . 137 MET CA . 16881 1 1619 . 1 1 137 137 MET CB C 13 33.6 0.2 . 1 . . . . 137 MET CB . 16881 1 1620 . 1 1 137 137 MET CE C 13 15.2 0.2 . 1 . . . . 137 MET CE . 16881 1 1621 . 1 1 137 137 MET CG C 13 34.2 0.2 . 1 . . . . 137 MET CG . 16881 1 1622 . 1 1 137 137 MET N N 15 116.6 0.2 . 1 . . . . 137 MET N . 16881 1 1623 . 1 1 138 138 ALA H H 1 7.01 0.02 . 1 . . . . 138 ALA H . 16881 1 1624 . 1 1 138 138 ALA HA H 1 3.74 0.02 . 1 . . . . 138 ALA HA . 16881 1 1625 . 1 1 138 138 ALA HB1 H 1 1.40 0.02 . 1 . . . . 138 ALA HB . 16881 1 1626 . 1 1 138 138 ALA HB2 H 1 1.40 0.02 . 1 . . . . 138 ALA HB . 16881 1 1627 . 1 1 138 138 ALA HB3 H 1 1.40 0.02 . 1 . . . . 138 ALA HB . 16881 1 1628 . 1 1 138 138 ALA C C 13 178.6 0.2 . 1 . . . . 138 ALA C . 16881 1 1629 . 1 1 138 138 ALA CA C 13 55.2 0.2 . 1 . . . . 138 ALA CA . 16881 1 1630 . 1 1 138 138 ALA CB C 13 17.9 0.2 . 1 . . . . 138 ALA CB . 16881 1 1631 . 1 1 138 138 ALA N N 15 119.8 0.2 . 1 . . . . 138 ALA N . 16881 1 1632 . 1 1 139 139 LEU H H 1 7.22 0.02 . 1 . . . . 139 LEU H . 16881 1 1633 . 1 1 139 139 LEU HA H 1 4.09 0.02 . 1 . . . . 139 LEU HA . 16881 1 1634 . 1 1 139 139 LEU HB2 H 1 1.67 0.02 . 2 . . . . 139 LEU HB2 . 16881 1 1635 . 1 1 139 139 LEU HB3 H 1 1.73 0.02 . 2 . . . . 139 LEU HB3 . 16881 1 1636 . 1 1 139 139 LEU HD11 H 1 0.87 0.02 . 1 . . . . 139 LEU HD1 . 16881 1 1637 . 1 1 139 139 LEU HD12 H 1 0.87 0.02 . 1 . . . . 139 LEU HD1 . 16881 1 1638 . 1 1 139 139 LEU HD13 H 1 0.87 0.02 . 1 . . . . 139 LEU HD1 . 16881 1 1639 . 1 1 139 139 LEU HD21 H 1 0.90 0.02 . 1 . . . . 139 LEU HD2 . 16881 1 1640 . 1 1 139 139 LEU HD22 H 1 0.90 0.02 . 1 . . . . 139 LEU HD2 . 16881 1 1641 . 1 1 139 139 LEU HD23 H 1 0.90 0.02 . 1 . . . . 139 LEU HD2 . 16881 1 1642 . 1 1 139 139 LEU HG H 1 1.62 0.02 . 1 . . . . 139 LEU HG . 16881 1 1643 . 1 1 139 139 LEU C C 13 179.3 0.2 . 1 . . . . 139 LEU C . 16881 1 1644 . 1 1 139 139 LEU CA C 13 57.9 0.2 . 1 . . . . 139 LEU CA . 16881 1 1645 . 1 1 139 139 LEU CB C 13 41.9 0.2 . 1 . . . . 139 LEU CB . 16881 1 1646 . 1 1 139 139 LEU CD1 C 13 24.4 0.2 . 1 . . . . 139 LEU CD1 . 16881 1 1647 . 1 1 139 139 LEU CD2 C 13 24.7 0.2 . 1 . . . . 139 LEU CD2 . 16881 1 1648 . 1 1 139 139 LEU CG C 13 26.6 0.2 . 1 . . . . 139 LEU CG . 16881 1 1649 . 1 1 139 139 LEU N N 15 119.1 0.2 . 1 . . . . 139 LEU N . 16881 1 1650 . 1 1 140 140 ILE H H 1 7.98 0.02 . 1 . . . . 140 ILE H . 16881 1 1651 . 1 1 140 140 ILE HA H 1 3.32 0.02 . 1 . . . . 140 ILE HA . 16881 1 1652 . 1 1 140 140 ILE HB H 1 1.46 0.02 . 1 . . . . 140 ILE HB . 16881 1 1653 . 1 1 140 140 ILE HD11 H 1 0.01 0.02 . 1 . . . . 140 ILE HD1 . 16881 1 1654 . 1 1 140 140 ILE HD12 H 1 0.01 0.02 . 1 . . . . 140 ILE HD1 . 16881 1 1655 . 1 1 140 140 ILE HD13 H 1 0.01 0.02 . 1 . . . . 140 ILE HD1 . 16881 1 1656 . 1 1 140 140 ILE HG12 H 1 0.43 0.02 . 2 . . . . 140 ILE HG12 . 16881 1 1657 . 1 1 140 140 ILE HG13 H 1 1.45 0.02 . 2 . . . . 140 ILE HG13 . 16881 1 1658 . 1 1 140 140 ILE HG21 H 1 0.54 0.02 . 1 . . . . 140 ILE HG2 . 16881 1 1659 . 1 1 140 140 ILE HG22 H 1 0.54 0.02 . 1 . . . . 140 ILE HG2 . 16881 1 1660 . 1 1 140 140 ILE HG23 H 1 0.54 0.02 . 1 . . . . 140 ILE HG2 . 16881 1 1661 . 1 1 140 140 ILE C C 13 177.3 0.2 . 1 . . . . 140 ILE C . 16881 1 1662 . 1 1 140 140 ILE CA C 13 65.8 0.2 . 1 . . . . 140 ILE CA . 16881 1 1663 . 1 1 140 140 ILE CB C 13 37.9 0.2 . 1 . . . . 140 ILE CB . 16881 1 1664 . 1 1 140 140 ILE CD1 C 13 13.7 0.2 . 1 . . . . 140 ILE CD1 . 16881 1 1665 . 1 1 140 140 ILE CG1 C 13 30.0 0.2 . 1 . . . . 140 ILE CG1 . 16881 1 1666 . 1 1 140 140 ILE CG2 C 13 17.8 0.2 . 1 . . . . 140 ILE CG2 . 16881 1 1667 . 1 1 140 140 ILE N N 15 119.2 0.2 . 1 . . . . 140 ILE N . 16881 1 1668 . 1 1 141 141 ARG H H 1 8.14 0.02 . 1 . . . . 141 ARG H . 16881 1 1669 . 1 1 141 141 ARG HA H 1 3.65 0.02 . 1 . . . . 141 ARG HA . 16881 1 1670 . 1 1 141 141 ARG HB2 H 1 1.50 0.02 . 2 . . . . 141 ARG HB2 . 16881 1 1671 . 1 1 141 141 ARG HB3 H 1 2.26 0.02 . 2 . . . . 141 ARG HB3 . 16881 1 1672 . 1 1 141 141 ARG HD2 H 1 3.07 0.02 . 2 . . . . 141 ARG HD2 . 16881 1 1673 . 1 1 141 141 ARG HD3 H 1 3.25 0.02 . 2 . . . . 141 ARG HD3 . 16881 1 1674 . 1 1 141 141 ARG HE H 1 7.01 0.02 . 1 . . . . 141 ARG HE . 16881 1 1675 . 1 1 141 141 ARG HG2 H 1 1.33 0.02 . 2 . . . . 141 ARG HG2 . 16881 1 1676 . 1 1 141 141 ARG HG3 H 1 1.86 0.02 . 2 . . . . 141 ARG HG3 . 16881 1 1677 . 1 1 141 141 ARG C C 13 177.4 0.2 . 1 . . . . 141 ARG C . 16881 1 1678 . 1 1 141 141 ARG CA C 13 59.9 0.2 . 1 . . . . 141 ARG CA . 16881 1 1679 . 1 1 141 141 ARG CB C 13 28.4 0.2 . 1 . . . . 141 ARG CB . 16881 1 1680 . 1 1 141 141 ARG CD C 13 43.4 0.2 . 1 . . . . 141 ARG CD . 16881 1 1681 . 1 1 141 141 ARG CG C 13 25.9 0.2 . 1 . . . . 141 ARG CG . 16881 1 1682 . 1 1 141 141 ARG N N 15 119.5 0.2 . 1 . . . . 141 ARG N . 16881 1 1683 . 1 1 141 141 ARG NE N 15 84.1 0.2 . 1 . . . . 141 ARG NE . 16881 1 1684 . 1 1 142 142 ASP H H 1 8.07 0.02 . 1 . . . . 142 ASP H . 16881 1 1685 . 1 1 142 142 ASP HA H 1 4.55 0.02 . 1 . . . . 142 ASP HA . 16881 1 1686 . 1 1 142 142 ASP HB2 H 1 3.01 0.02 . 2 . . . . 142 ASP HB2 . 16881 1 1687 . 1 1 142 142 ASP HB3 H 1 3.08 0.02 . 2 . . . . 142 ASP HB3 . 16881 1 1688 . 1 1 142 142 ASP C C 13 179.4 0.2 . 1 . . . . 142 ASP C . 16881 1 1689 . 1 1 142 142 ASP CA C 13 57.9 0.2 . 1 . . . . 142 ASP CA . 16881 1 1690 . 1 1 142 142 ASP CB C 13 39.7 0.2 . 1 . . . . 142 ASP CB . 16881 1 1691 . 1 1 142 142 ASP N N 15 119.0 0.2 . 1 . . . . 142 ASP N . 16881 1 1692 . 1 1 143 143 ARG H H 1 8.34 0.02 . 1 . . . . 143 ARG H . 16881 1 1693 . 1 1 143 143 ARG HA H 1 4.08 0.02 . 1 . . . . 143 ARG HA . 16881 1 1694 . 1 1 143 143 ARG HB2 H 1 1.80 0.02 . 2 . . . . 143 ARG HB2 . 16881 1 1695 . 1 1 143 143 ARG HB3 H 1 1.96 0.02 . 2 . . . . 143 ARG HB3 . 16881 1 1696 . 1 1 143 143 ARG HD2 H 1 3.19 0.02 . 2 . . . . 143 ARG HD2 . 16881 1 1697 . 1 1 143 143 ARG HD3 H 1 3.28 0.02 . 2 . . . . 143 ARG HD3 . 16881 1 1698 . 1 1 143 143 ARG HE H 1 7.19 0.02 . 1 . . . . 143 ARG HE . 16881 1 1699 . 1 1 143 143 ARG C C 13 180.0 0.2 . 1 . . . . 143 ARG C . 16881 1 1700 . 1 1 143 143 ARG CA C 13 59.1 0.2 . 1 . . . . 143 ARG CA . 16881 1 1701 . 1 1 143 143 ARG CB C 13 29.8 0.2 . 1 . . . . 143 ARG CB . 16881 1 1702 . 1 1 143 143 ARG CD C 13 43.0 0.2 . 1 . . . . 143 ARG CD . 16881 1 1703 . 1 1 143 143 ARG CG C 13 27.9 0.2 . 1 . . . . 143 ARG CG . 16881 1 1704 . 1 1 143 143 ARG N N 15 119.6 0.2 . 1 . . . . 143 ARG N . 16881 1 1705 . 1 1 143 143 ARG NE N 15 85.3 0.2 . 1 . . . . 143 ARG NE . 16881 1 1706 . 1 1 144 144 ILE H H 1 8.77 0.02 . 1 . . . . 144 ILE H . 16881 1 1707 . 1 1 144 144 ILE HA H 1 3.70 0.02 . 1 . . . . 144 ILE HA . 16881 1 1708 . 1 1 144 144 ILE HB H 1 1.72 0.02 . 1 . . . . 144 ILE HB . 16881 1 1709 . 1 1 144 144 ILE HD11 H 1 0.82 0.02 . 1 . . . . 144 ILE HD1 . 16881 1 1710 . 1 1 144 144 ILE HD12 H 1 0.82 0.02 . 1 . . . . 144 ILE HD1 . 16881 1 1711 . 1 1 144 144 ILE HD13 H 1 0.82 0.02 . 1 . . . . 144 ILE HD1 . 16881 1 1712 . 1 1 144 144 ILE HG12 H 1 1.31 0.02 . 2 . . . . 144 ILE HG12 . 16881 1 1713 . 1 1 144 144 ILE HG13 H 1 2.00 0.02 . 2 . . . . 144 ILE HG13 . 16881 1 1714 . 1 1 144 144 ILE HG21 H 1 0.79 0.02 . 1 . . . . 144 ILE HG2 . 16881 1 1715 . 1 1 144 144 ILE HG22 H 1 0.79 0.02 . 1 . . . . 144 ILE HG2 . 16881 1 1716 . 1 1 144 144 ILE HG23 H 1 0.79 0.02 . 1 . . . . 144 ILE HG2 . 16881 1 1717 . 1 1 144 144 ILE C C 13 177.8 0.2 . 1 . . . . 144 ILE C . 16881 1 1718 . 1 1 144 144 ILE CA C 13 65.7 0.2 . 1 . . . . 144 ILE CA . 16881 1 1719 . 1 1 144 144 ILE CB C 13 37.5 0.2 . 1 . . . . 144 ILE CB . 16881 1 1720 . 1 1 144 144 ILE CD1 C 13 16.2 0.2 . 1 . . . . 144 ILE CD1 . 16881 1 1721 . 1 1 144 144 ILE CG1 C 13 27.7 0.2 . 1 . . . . 144 ILE CG1 . 16881 1 1722 . 1 1 144 144 ILE CG2 C 13 17.6 0.2 . 1 . . . . 144 ILE CG2 . 16881 1 1723 . 1 1 144 144 ILE N N 15 121.3 0.2 . 1 . . . . 144 ILE N . 16881 1 1724 . 1 1 145 145 GLU H H 1 8.82 0.02 . 1 . . . . 145 GLU H . 16881 1 1725 . 1 1 145 145 GLU HA H 1 3.80 0.02 . 1 . . . . 145 GLU HA . 16881 1 1726 . 1 1 145 145 GLU HB2 H 1 2.02 0.02 . 2 . . . . 145 GLU HB2 . 16881 1 1727 . 1 1 145 145 GLU HB3 H 1 2.09 0.02 . 2 . . . . 145 GLU HB3 . 16881 1 1728 . 1 1 145 145 GLU HG2 H 1 2.06 0.02 . 2 . . . . 145 GLU HG2 . 16881 1 1729 . 1 1 145 145 GLU HG3 H 1 2.71 0.02 . 2 . . . . 145 GLU HG3 . 16881 1 1730 . 1 1 145 145 GLU C C 13 180.3 0.2 . 1 . . . . 145 GLU C . 16881 1 1731 . 1 1 145 145 GLU CA C 13 60.9 0.2 . 1 . . . . 145 GLU CA . 16881 1 1732 . 1 1 145 145 GLU CB C 13 28.7 0.2 . 1 . . . . 145 GLU CB . 16881 1 1733 . 1 1 145 145 GLU CG C 13 38.4 0.2 . 1 . . . . 145 GLU CG . 16881 1 1734 . 1 1 145 145 GLU N N 15 119.4 0.2 . 1 . . . . 145 GLU N . 16881 1 1735 . 1 1 146 146 GLN H H 1 7.96 0.02 . 1 . . . . 146 GLN H . 16881 1 1736 . 1 1 146 146 GLN HA H 1 4.10 0.02 . 1 . . . . 146 GLN HA . 16881 1 1737 . 1 1 146 146 GLN HB2 H 1 2.16 0.02 . 2 . . . . 146 GLN HB2 . 16881 1 1738 . 1 1 146 146 GLN HB3 H 1 2.19 0.02 . 2 . . . . 146 GLN HB3 . 16881 1 1739 . 1 1 146 146 GLN HE21 H 1 6.80 0.02 . 2 . . . . 146 GLN HE21 . 16881 1 1740 . 1 1 146 146 GLN HE22 H 1 7.63 0.02 . 2 . . . . 146 GLN HE22 . 16881 1 1741 . 1 1 146 146 GLN HG2 H 1 2.36 0.02 . 2 . . . . 146 GLN HG2 . 16881 1 1742 . 1 1 146 146 GLN HG3 H 1 2.53 0.02 . 2 . . . . 146 GLN HG3 . 16881 1 1743 . 1 1 146 146 GLN C C 13 178.6 0.2 . 1 . . . . 146 GLN C . 16881 1 1744 . 1 1 146 146 GLN CA C 13 59.0 0.2 . 1 . . . . 146 GLN CA . 16881 1 1745 . 1 1 146 146 GLN CB C 13 28.1 0.2 . 1 . . . . 146 GLN CB . 16881 1 1746 . 1 1 146 146 GLN CD C 13 180.2 0.2 . 1 . . . . 146 GLN CD . 16881 1 1747 . 1 1 146 146 GLN CG C 13 33.5 0.2 . 1 . . . . 146 GLN CG . 16881 1 1748 . 1 1 146 146 GLN N N 15 119.2 0.2 . 1 . . . . 146 GLN N . 16881 1 1749 . 1 1 146 146 GLN NE2 N 15 112.0 0.2 . 1 . . . . 146 GLN NE2 . 16881 1 1750 . 1 1 147 147 ALA H H 1 7.67 0.02 . 1 . . . . 147 ALA H . 16881 1 1751 . 1 1 147 147 ALA HA H 1 4.21 0.02 . 1 . . . . 147 ALA HA . 16881 1 1752 . 1 1 147 147 ALA HB1 H 1 1.55 0.02 . 1 . . . . 147 ALA HB . 16881 1 1753 . 1 1 147 147 ALA HB2 H 1 1.55 0.02 . 1 . . . . 147 ALA HB . 16881 1 1754 . 1 1 147 147 ALA HB3 H 1 1.55 0.02 . 1 . . . . 147 ALA HB . 16881 1 1755 . 1 1 147 147 ALA C C 13 180.1 0.2 . 1 . . . . 147 ALA C . 16881 1 1756 . 1 1 147 147 ALA CA C 13 54.9 0.2 . 1 . . . . 147 ALA CA . 16881 1 1757 . 1 1 147 147 ALA CB C 13 18.5 0.2 . 1 . . . . 147 ALA CB . 16881 1 1758 . 1 1 147 147 ALA N N 15 122.7 0.2 . 1 . . . . 147 ALA N . 16881 1 1759 . 1 1 148 148 ALA H H 1 8.59 0.02 . 1 . . . . 148 ALA H . 16881 1 1760 . 1 1 148 148 ALA HA H 1 4.03 0.02 . 1 . . . . 148 ALA HA . 16881 1 1761 . 1 1 148 148 ALA HB1 H 1 1.56 0.02 . 1 . . . . 148 ALA HB . 16881 1 1762 . 1 1 148 148 ALA HB2 H 1 1.56 0.02 . 1 . . . . 148 ALA HB . 16881 1 1763 . 1 1 148 148 ALA HB3 H 1 1.56 0.02 . 1 . . . . 148 ALA HB . 16881 1 1764 . 1 1 148 148 ALA C C 13 179.8 0.2 . 1 . . . . 148 ALA C . 16881 1 1765 . 1 1 148 148 ALA CA C 13 54.6 0.2 . 1 . . . . 148 ALA CA . 16881 1 1766 . 1 1 148 148 ALA CB C 13 18.5 0.2 . 1 . . . . 148 ALA CB . 16881 1 1767 . 1 1 148 148 ALA N N 15 120.6 0.2 . 1 . . . . 148 ALA N . 16881 1 1768 . 1 1 149 149 GLY H H 1 7.88 0.02 . 1 . . . . 149 GLY H . 16881 1 1769 . 1 1 149 149 GLY HA2 H 1 3.97 0.02 . 2 . . . . 149 GLY HA2 . 16881 1 1770 . 1 1 149 149 GLY HA3 H 1 4.01 0.02 . 2 . . . . 149 GLY HA3 . 16881 1 1771 . 1 1 149 149 GLY C C 13 175.4 0.2 . 1 . . . . 149 GLY C . 16881 1 1772 . 1 1 149 149 GLY CA C 13 46.3 0.2 . 1 . . . . 149 GLY CA . 16881 1 1773 . 1 1 149 149 GLY N N 15 105.4 0.2 . 1 . . . . 149 GLY N . 16881 1 1774 . 1 1 150 150 GLU H H 1 7.97 0.02 . 1 . . . . 150 GLU H . 16881 1 1775 . 1 1 150 150 GLU HA H 1 4.22 0.02 . 1 . . . . 150 GLU HA . 16881 1 1776 . 1 1 150 150 GLU HB2 H 1 2.08 0.02 . 2 . . . . 150 GLU HB2 . 16881 1 1777 . 1 1 150 150 GLU HB3 H 1 2.12 0.02 . 2 . . . . 150 GLU HB3 . 16881 1 1778 . 1 1 150 150 GLU HG2 H 1 2.27 0.02 . 2 . . . . 150 GLU HG2 . 16881 1 1779 . 1 1 150 150 GLU HG3 H 1 2.41 0.02 . 2 . . . . 150 GLU HG3 . 16881 1 1780 . 1 1 150 150 GLU CA C 13 57.7 0.2 . 1 . . . . 150 GLU CA . 16881 1 1781 . 1 1 150 150 GLU CB C 13 30.0 0.2 . 1 . . . . 150 GLU CB . 16881 1 1782 . 1 1 150 150 GLU N N 15 121.2 0.2 . 1 . . . . 150 GLU N . 16881 1 1783 . 1 1 151 151 ARG H H 1 8.08 0.02 . 1 . . . . 151 ARG H . 16881 1 1784 . 1 1 151 151 ARG N N 15 120.0 0.2 . 1 . . . . 151 ARG N . 16881 1 1785 . 1 1 152 152 ARG C C 13 177.2 0.2 . 1 . . . . 152 ARG C . 16881 1 1786 . 1 1 152 152 ARG CA C 13 57.4 0.2 . 1 . . . . 152 ARG CA . 16881 1 1787 . 1 1 152 152 ARG CB C 13 30.6 0.2 . 1 . . . . 152 ARG CB . 16881 1 1788 . 1 1 153 153 THR H H 1 8.12 0.02 . 1 . . . . 153 THR H . 16881 1 1789 . 1 1 153 153 THR C C 13 174.8 0.2 . 1 . . . . 153 THR C . 16881 1 1790 . 1 1 153 153 THR CA C 13 63.0 0.2 . 1 . . . . 153 THR CA . 16881 1 1791 . 1 1 153 153 THR CB C 13 69.6 0.2 . 1 . . . . 153 THR CB . 16881 1 1792 . 1 1 153 153 THR CG2 C 13 21.7 0.2 . 1 . . . . 153 THR CG2 . 16881 1 1793 . 1 1 153 153 THR N N 15 115.1 0.2 . 1 . . . . 153 THR N . 16881 1 1794 . 1 1 154 154 ALA H H 1 8.24 0.02 . 1 . . . . 154 ALA H . 16881 1 1795 . 1 1 154 154 ALA C C 13 178.5 0.2 . 1 . . . . 154 ALA C . 16881 1 1796 . 1 1 154 154 ALA CA C 13 53.6 0.2 . 1 . . . . 154 ALA CA . 16881 1 1797 . 1 1 154 154 ALA CB C 13 19.2 0.2 . 1 . . . . 154 ALA CB . 16881 1 1798 . 1 1 154 154 ALA N N 15 125.2 0.2 . 1 . . . . 154 ALA N . 16881 1 1799 . 1 1 155 155 SER H H 1 8.22 0.02 . 1 . . . . 155 SER H . 16881 1 1800 . 1 1 155 155 SER CA C 13 59.3 0.2 . 1 . . . . 155 SER CA . 16881 1 1801 . 1 1 155 155 SER CB C 13 63.6 0.2 . 1 . . . . 155 SER CB . 16881 1 1802 . 1 1 155 155 SER N N 15 115.0 0.2 . 1 . . . . 155 SER N . 16881 1 1803 . 1 1 158 158 ALA C C 13 178.1 0.2 . 1 . . . . 158 ALA C . 16881 1 1804 . 1 1 158 158 ALA CA C 13 53.1 0.2 . 1 . . . . 158 ALA CA . 16881 1 1805 . 1 1 158 158 ALA CB C 13 19.0 0.2 . 1 . . . . 158 ALA CB . 16881 1 1806 . 1 1 159 159 ASP H H 1 8.10 0.02 . 1 . . . . 159 ASP H . 16881 1 1807 . 1 1 159 159 ASP C C 13 177.0 0.2 . 1 . . . . 159 ASP C . 16881 1 1808 . 1 1 159 159 ASP CA C 13 54.8 0.2 . 1 . . . . 159 ASP CA . 16881 1 1809 . 1 1 159 159 ASP CB C 13 41.0 0.2 . 1 . . . . 159 ASP CB . 16881 1 1810 . 1 1 159 159 ASP N N 15 118.8 0.2 . 1 . . . . 159 ASP N . 16881 1 1811 . 1 1 160 160 LEU H H 1 8.07 0.02 . 1 . . . . 160 LEU H . 16881 1 1812 . 1 1 160 160 LEU CA C 13 56.3 0.2 . 1 . . . . 160 LEU CA . 16881 1 1813 . 1 1 160 160 LEU CB C 13 42.1 0.2 . 1 . . . . 160 LEU CB . 16881 1 1814 . 1 1 160 160 LEU N N 15 121.6 0.2 . 1 . . . . 160 LEU N . 16881 1 1815 . 1 1 161 161 GLU C C 13 173.9 0.2 . 1 . . . . 161 GLU C . 16881 1 1816 . 1 1 161 161 GLU CA C 13 55.9 0.2 . 1 . . . . 161 GLU CA . 16881 1 1817 . 1 1 161 161 GLU CB C 13 30.0 0.2 . 1 . . . . 161 GLU CB . 16881 1 1818 . 1 1 162 162 HIS H H 1 8.18 0.02 . 1 . . . . 162 HIS H . 16881 1 1819 . 1 1 162 162 HIS CA C 13 57.4 0.2 . 1 . . . . 162 HIS CA . 16881 1 1820 . 1 1 162 162 HIS CB C 13 30.2 0.2 . 1 . . . . 162 HIS CB . 16881 1 1821 . 1 1 162 162 HIS N N 15 125.2 0.2 . 1 . . . . 162 HIS N . 16881 1 stop_ save_