data_5483 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5483 _Entry.Title ; NMR structure of AmpD, an N-acetylmuramyl-L-alanine amidase. ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-07-30 _Entry.Accession_date 2002-07-30 _Entry.Last_release_date 2003-04-23 _Entry.Original_release_date 2003-04-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Edvards Liepinsh . . . 5483 2 Catherine Genereux . . . 5483 3 Dominique Dehareng . . . 5483 4 Bernard Joris . . . 5483 5 Gottfried Otting . . . 5483 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5483 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1256 5483 '13C chemical shifts' 630 5483 '15N chemical shifts' 202 5483 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 . . 2003-04-23 2002-07-30 original author . 5483 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5483 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22541932 _Citation.DOI . _Citation.PubMed_ID 12654266 _Citation.Full_citation . _Citation.Title ; NMR Structure of Citrobacter freundii AmpD, Comparison with Bacteriophage T7 Lysozyme and Homology with PGRP Domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 327 _Citation.Journal_issue 4 _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 833 _Citation.Page_last 842 _Citation.Year 2003 _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 Edvards Liepinsh . . . 5483 1 2 Catherine Genereux . . . 5483 1 3 Dominique Dehareng . . . 5483 1 4 Bernard Joris . . . 5483 1 5 Gottfried Otting . . . 5483 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AmpD 5483 1 'NMR structure' 5483 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5483 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Edvards Liepinsh, Catherine Genereux, Dominique Dehareng, Bernard Joris and Gottfried Otting, NMR structure of AmpD: structural conservation of peptidoglycan recognition proteins. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _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 . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_AmpD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_AmpD _Assembly.Entry_ID 5483 _Assembly.ID 1 _Assembly.Name 'N-acetylmuramyl-L-alanine amidase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.5.1.28 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5483 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'AmpD 1' 1 $AmpD . . . native . . . . . 5483 1 2 'Zinc ion' 2 $ZN . . . native . . . . . 5483 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' single . 1 . 1 HIS 34 34 ND1 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5483 1 2 'metal coordination' single . 1 . 1 HIS 154 154 ND1 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5483 1 3 'metal coordination' single . 1 . 1 ASP 164 164 CO . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 5483 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1IYA . . . . . . 5483 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'N-acetylmuramyl-L-alanine amidase' system 5483 1 AmpD abbreviation 5483 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AmpD _Entity.Sf_category entity _Entity.Sf_framecode AmpD _Entity.Entry_ID 5483 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'single chain biopolymer' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLLDEGWLAEARRVPSPHYD CRPDDENPSLLVVHNISLPP GEFGGPWIDALFTGTIDPNA HPYFAGIAHLRVSAHCLIRR DGEIVQYVPFDKRAWHAGVS SYQGRERCNDFSIGIELEGT DTLAYTDAQYQQLAAVTNAL ITRYPAIANNMTGHCNIAPE RKTDPGPSFDWARFRALVTP SSHKEMT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 187 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19805 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'molecule contains Zn atom' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1J3G . "Solution Structure Of Citrobacter Freundii Ampd" . . . . . 100.00 187 100.00 100.00 1.37e-136 . . . . 5483 1 2 no PDB 2Y28 . "Crystal Structure Of Se-Met Ampd Derivative" . . . . . 99.47 187 98.92 98.92 2.09e-133 . . . . 5483 1 3 no PDB 2Y2B . "Crystal Structure Of Ampd In Complex With Reaction Products" . . . . . 100.00 187 100.00 100.00 1.37e-136 . . . . 5483 1 4 no PDB 2Y2C . "Crystal Structure Of Ampd Apoenzyme" . . . . . 100.00 187 100.00 100.00 1.37e-136 . . . . 5483 1 5 no PDB 2Y2D . "Crystal Structure Of Ampd Holoenzyme" . . . . . 100.00 187 100.00 100.00 1.37e-136 . . . . 5483 1 6 no PDB 2Y2E . "Crystal Structure Of Ampd Grown At Ph 5.5" . . . . . 100.00 187 100.00 100.00 1.37e-136 . . . . 5483 1 7 no DBJ GAL38703 . "1,6-anhydro-N-acetylmuramyl-L-alanine amidase AmpD [Citrobacter freundii NBRC 12681]" . . . . . 100.00 187 100.00 100.00 1.37e-136 . . . . 5483 1 8 no EMBL CAA78390 . "AmpD protein [Citrobacter freundii]" . . . . . 100.00 187 100.00 100.00 1.37e-136 . . . . 5483 1 9 no EMBL CDL37434 . "N-acetylmuramoyl-L-alanine amidase AmpD [Escherichia coli ISC11]" . . . . . 100.00 187 98.93 99.47 3.42e-135 . . . . 5483 1 10 no GB EEH95053 . "1,6-anhydro-N-acetylmuramyl-L-alanine amidase AmpD [Citrobacter sp. 30_2]" . . . . . 100.00 187 99.47 99.47 5.63e-136 . . . . 5483 1 11 no GB EFE07580 . "protein AmpD [Citrobacter youngae ATCC 29220]" . . . . . 100.00 187 97.33 98.93 1.71e-133 . . . . 5483 1 12 no GB EHL83818 . "1,6-anhydro-N-acetylmuramyl-L-alanine amidase AmpD [Citrobacter freundii 4_7_47CFAA]" . . . . . 100.00 187 98.93 99.47 2.84e-135 . . . . 5483 1 13 no GB EJF22884 . "1,6-anhydro-N-acetylmuramyl-L-alanine amidase AmpD [Citrobacter sp. A1]" . . . . . 100.00 187 100.00 100.00 1.37e-136 . . . . 5483 1 14 no GB EKS57727 . "N-acetyl-anhydromuranmyl-L-alanine amidase [Citrobacter freundii ATCC 8090 = MTCC 1658]" . . . . . 100.00 187 100.00 100.00 1.37e-136 . . . . 5483 1 15 no REF WP_003018719 . "MULTISPECIES: N-acetyl-anhydromuranmyl-L-alanine amidase [Enterobacteriaceae]" . . . . . 100.00 187 100.00 100.00 1.37e-136 . . . . 5483 1 16 no REF WP_003829500 . "N-acetyl-anhydromuranmyl-L-alanine amidase [Citrobacter freundii]" . . . . . 100.00 187 98.93 99.47 2.84e-135 . . . . 5483 1 17 no REF WP_006686718 . "N-acetyl-anhydromuranmyl-L-alanine amidase [Citrobacter youngae]" . . . . . 100.00 187 97.33 98.93 1.71e-133 . . . . 5483 1 18 no REF WP_008786207 . "N-acetyl-anhydromuranmyl-L-alanine amidase [Citrobacter sp. 30_2]" . . . . . 100.00 187 99.47 99.47 5.63e-136 . . . . 5483 1 19 no REF WP_016151712 . "MULTISPECIES: 1,6-anhydro-N-acetylmuramyl-L-alanine amidase AmpD [Citrobacter]" . . . . . 100.00 187 99.47 100.00 4.57e-136 . . . . 5483 1 20 no SP P82974 . "RecName: Full=1,6-anhydro-N-acetylmuramyl-L-alanine amidase AmpD; AltName: Full=N-acetylmuramoyl-L-alanine amidase [Citrobacter" . . . . . 100.00 187 100.00 100.00 1.37e-136 . . . . 5483 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'single chain biopolymer' common 5483 1 AmpD abbreviation 5483 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 . 5483 1 2 . LEU . 5483 1 3 . LEU . 5483 1 4 . ASP . 5483 1 5 . GLU . 5483 1 6 . GLY . 5483 1 7 . TRP . 5483 1 8 . LEU . 5483 1 9 . ALA . 5483 1 10 . GLU . 5483 1 11 . ALA . 5483 1 12 . ARG . 5483 1 13 . ARG . 5483 1 14 . VAL . 5483 1 15 . PRO . 5483 1 16 . SER . 5483 1 17 . PRO . 5483 1 18 . HIS . 5483 1 19 . TYR . 5483 1 20 . ASP . 5483 1 21 . CYS . 5483 1 22 . ARG . 5483 1 23 . PRO . 5483 1 24 . ASP . 5483 1 25 . ASP . 5483 1 26 . GLU . 5483 1 27 . ASN . 5483 1 28 . PRO . 5483 1 29 . SER . 5483 1 30 . LEU . 5483 1 31 . LEU . 5483 1 32 . VAL . 5483 1 33 . VAL . 5483 1 34 . HIS . 5483 1 35 . ASN . 5483 1 36 . ILE . 5483 1 37 . SER . 5483 1 38 . LEU . 5483 1 39 . PRO . 5483 1 40 . PRO . 5483 1 41 . GLY . 5483 1 42 . GLU . 5483 1 43 . PHE . 5483 1 44 . GLY . 5483 1 45 . GLY . 5483 1 46 . PRO . 5483 1 47 . TRP . 5483 1 48 . ILE . 5483 1 49 . ASP . 5483 1 50 . ALA . 5483 1 51 . LEU . 5483 1 52 . PHE . 5483 1 53 . THR . 5483 1 54 . GLY . 5483 1 55 . THR . 5483 1 56 . ILE . 5483 1 57 . ASP . 5483 1 58 . PRO . 5483 1 59 . ASN . 5483 1 60 . ALA . 5483 1 61 . HIS . 5483 1 62 . PRO . 5483 1 63 . TYR . 5483 1 64 . PHE . 5483 1 65 . ALA . 5483 1 66 . GLY . 5483 1 67 . ILE . 5483 1 68 . ALA . 5483 1 69 . HIS . 5483 1 70 . LEU . 5483 1 71 . ARG . 5483 1 72 . VAL . 5483 1 73 . SER . 5483 1 74 . ALA . 5483 1 75 . HIS . 5483 1 76 . CYS . 5483 1 77 . LEU . 5483 1 78 . ILE . 5483 1 79 . ARG . 5483 1 80 . ARG . 5483 1 81 . ASP . 5483 1 82 . GLY . 5483 1 83 . GLU . 5483 1 84 . ILE . 5483 1 85 . VAL . 5483 1 86 . GLN . 5483 1 87 . TYR . 5483 1 88 . VAL . 5483 1 89 . PRO . 5483 1 90 . PHE . 5483 1 91 . ASP . 5483 1 92 . LYS . 5483 1 93 . ARG . 5483 1 94 . ALA . 5483 1 95 . TRP . 5483 1 96 . HIS . 5483 1 97 . ALA . 5483 1 98 . GLY . 5483 1 99 . VAL . 5483 1 100 . SER . 5483 1 101 . SER . 5483 1 102 . TYR . 5483 1 103 . GLN . 5483 1 104 . GLY . 5483 1 105 . ARG . 5483 1 106 . GLU . 5483 1 107 . ARG . 5483 1 108 . CYS . 5483 1 109 . ASN . 5483 1 110 . ASP . 5483 1 111 . PHE . 5483 1 112 . SER . 5483 1 113 . ILE . 5483 1 114 . GLY . 5483 1 115 . ILE . 5483 1 116 . GLU . 5483 1 117 . LEU . 5483 1 118 . GLU . 5483 1 119 . GLY . 5483 1 120 . THR . 5483 1 121 . ASP . 5483 1 122 . THR . 5483 1 123 . LEU . 5483 1 124 . ALA . 5483 1 125 . TYR . 5483 1 126 . THR . 5483 1 127 . ASP . 5483 1 128 . ALA . 5483 1 129 . GLN . 5483 1 130 . TYR . 5483 1 131 . GLN . 5483 1 132 . GLN . 5483 1 133 . LEU . 5483 1 134 . ALA . 5483 1 135 . ALA . 5483 1 136 . VAL . 5483 1 137 . THR . 5483 1 138 . ASN . 5483 1 139 . ALA . 5483 1 140 . LEU . 5483 1 141 . ILE . 5483 1 142 . THR . 5483 1 143 . ARG . 5483 1 144 . TYR . 5483 1 145 . PRO . 5483 1 146 . ALA . 5483 1 147 . ILE . 5483 1 148 . ALA . 5483 1 149 . ASN . 5483 1 150 . ASN . 5483 1 151 . MET . 5483 1 152 . THR . 5483 1 153 . GLY . 5483 1 154 . HIS . 5483 1 155 . CYS . 5483 1 156 . ASN . 5483 1 157 . ILE . 5483 1 158 . ALA . 5483 1 159 . PRO . 5483 1 160 . GLU . 5483 1 161 . ARG . 5483 1 162 . LYS . 5483 1 163 . THR . 5483 1 164 . ASP . 5483 1 165 . PRO . 5483 1 166 . GLY . 5483 1 167 . PRO . 5483 1 168 . SER . 5483 1 169 . PHE . 5483 1 170 . ASP . 5483 1 171 . TRP . 5483 1 172 . ALA . 5483 1 173 . ARG . 5483 1 174 . PHE . 5483 1 175 . ARG . 5483 1 176 . ALA . 5483 1 177 . LEU . 5483 1 178 . VAL . 5483 1 179 . THR . 5483 1 180 . PRO . 5483 1 181 . SER . 5483 1 182 . SER . 5483 1 183 . HIS . 5483 1 184 . LYS . 5483 1 185 . GLU . 5483 1 186 . MET . 5483 1 187 . THR . 5483 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 5483 1 . LEU 2 2 5483 1 . LEU 3 3 5483 1 . ASP 4 4 5483 1 . GLU 5 5 5483 1 . GLY 6 6 5483 1 . TRP 7 7 5483 1 . LEU 8 8 5483 1 . ALA 9 9 5483 1 . GLU 10 10 5483 1 . ALA 11 11 5483 1 . ARG 12 12 5483 1 . ARG 13 13 5483 1 . VAL 14 14 5483 1 . PRO 15 15 5483 1 . SER 16 16 5483 1 . PRO 17 17 5483 1 . HIS 18 18 5483 1 . TYR 19 19 5483 1 . ASP 20 20 5483 1 . CYS 21 21 5483 1 . ARG 22 22 5483 1 . PRO 23 23 5483 1 . ASP 24 24 5483 1 . ASP 25 25 5483 1 . GLU 26 26 5483 1 . ASN 27 27 5483 1 . PRO 28 28 5483 1 . SER 29 29 5483 1 . LEU 30 30 5483 1 . LEU 31 31 5483 1 . VAL 32 32 5483 1 . VAL 33 33 5483 1 . HIS 34 34 5483 1 . ASN 35 35 5483 1 . ILE 36 36 5483 1 . SER 37 37 5483 1 . LEU 38 38 5483 1 . PRO 39 39 5483 1 . PRO 40 40 5483 1 . GLY 41 41 5483 1 . GLU 42 42 5483 1 . PHE 43 43 5483 1 . GLY 44 44 5483 1 . GLY 45 45 5483 1 . PRO 46 46 5483 1 . TRP 47 47 5483 1 . ILE 48 48 5483 1 . ASP 49 49 5483 1 . ALA 50 50 5483 1 . LEU 51 51 5483 1 . PHE 52 52 5483 1 . THR 53 53 5483 1 . GLY 54 54 5483 1 . THR 55 55 5483 1 . ILE 56 56 5483 1 . ASP 57 57 5483 1 . PRO 58 58 5483 1 . ASN 59 59 5483 1 . ALA 60 60 5483 1 . HIS 61 61 5483 1 . PRO 62 62 5483 1 . TYR 63 63 5483 1 . PHE 64 64 5483 1 . ALA 65 65 5483 1 . GLY 66 66 5483 1 . ILE 67 67 5483 1 . ALA 68 68 5483 1 . HIS 69 69 5483 1 . LEU 70 70 5483 1 . ARG 71 71 5483 1 . VAL 72 72 5483 1 . SER 73 73 5483 1 . ALA 74 74 5483 1 . HIS 75 75 5483 1 . CYS 76 76 5483 1 . LEU 77 77 5483 1 . ILE 78 78 5483 1 . ARG 79 79 5483 1 . ARG 80 80 5483 1 . ASP 81 81 5483 1 . GLY 82 82 5483 1 . GLU 83 83 5483 1 . ILE 84 84 5483 1 . VAL 85 85 5483 1 . GLN 86 86 5483 1 . TYR 87 87 5483 1 . VAL 88 88 5483 1 . PRO 89 89 5483 1 . PHE 90 90 5483 1 . ASP 91 91 5483 1 . LYS 92 92 5483 1 . ARG 93 93 5483 1 . ALA 94 94 5483 1 . TRP 95 95 5483 1 . HIS 96 96 5483 1 . ALA 97 97 5483 1 . GLY 98 98 5483 1 . VAL 99 99 5483 1 . SER 100 100 5483 1 . SER 101 101 5483 1 . TYR 102 102 5483 1 . GLN 103 103 5483 1 . GLY 104 104 5483 1 . ARG 105 105 5483 1 . GLU 106 106 5483 1 . ARG 107 107 5483 1 . CYS 108 108 5483 1 . ASN 109 109 5483 1 . ASP 110 110 5483 1 . PHE 111 111 5483 1 . SER 112 112 5483 1 . ILE 113 113 5483 1 . GLY 114 114 5483 1 . ILE 115 115 5483 1 . GLU 116 116 5483 1 . LEU 117 117 5483 1 . GLU 118 118 5483 1 . GLY 119 119 5483 1 . THR 120 120 5483 1 . ASP 121 121 5483 1 . THR 122 122 5483 1 . LEU 123 123 5483 1 . ALA 124 124 5483 1 . TYR 125 125 5483 1 . THR 126 126 5483 1 . ASP 127 127 5483 1 . ALA 128 128 5483 1 . GLN 129 129 5483 1 . TYR 130 130 5483 1 . GLN 131 131 5483 1 . GLN 132 132 5483 1 . LEU 133 133 5483 1 . ALA 134 134 5483 1 . ALA 135 135 5483 1 . VAL 136 136 5483 1 . THR 137 137 5483 1 . ASN 138 138 5483 1 . ALA 139 139 5483 1 . LEU 140 140 5483 1 . ILE 141 141 5483 1 . THR 142 142 5483 1 . ARG 143 143 5483 1 . TYR 144 144 5483 1 . PRO 145 145 5483 1 . ALA 146 146 5483 1 . ILE 147 147 5483 1 . ALA 148 148 5483 1 . ASN 149 149 5483 1 . ASN 150 150 5483 1 . MET 151 151 5483 1 . THR 152 152 5483 1 . GLY 153 153 5483 1 . HIS 154 154 5483 1 . CYS 155 155 5483 1 . ASN 156 156 5483 1 . ILE 157 157 5483 1 . ALA 158 158 5483 1 . PRO 159 159 5483 1 . GLU 160 160 5483 1 . ARG 161 161 5483 1 . LYS 162 162 5483 1 . THR 163 163 5483 1 . ASP 164 164 5483 1 . PRO 165 165 5483 1 . GLY 166 166 5483 1 . PRO 167 167 5483 1 . SER 168 168 5483 1 . PHE 169 169 5483 1 . ASP 170 170 5483 1 . TRP 171 171 5483 1 . ALA 172 172 5483 1 . ARG 173 173 5483 1 . PHE 174 174 5483 1 . ARG 175 175 5483 1 . ALA 176 176 5483 1 . LEU 177 177 5483 1 . VAL 178 178 5483 1 . THR 179 179 5483 1 . PRO 180 180 5483 1 . SER 181 181 5483 1 . SER 182 182 5483 1 . HIS 183 183 5483 1 . LYS 184 184 5483 1 . GLU 185 185 5483 1 . MET 186 186 5483 1 . THR 187 187 5483 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 5483 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 5483 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5483 _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 $AmpD . 546 organism . 'Citrobacter freundii' . . . Bacteria . Citrobacter freundii . . . . . . . . . . . . . . . . . . . . . 5483 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 5483 _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 $AmpD . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli HMS174 . . . . . . . . . . . . plasmid . . pET-3a . . . . . . 5483 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 5483 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 13:11:59 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Zn+2] SMILES ACDLabs 10.04 5483 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 5483 ZN [Zn++] SMILES CACTVS 3.341 5483 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5483 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 5483 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 5483 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 5483 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 5483 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5483 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5483 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5483 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'single chain biopolymer' . . . 1 $AmpD . . 0.3 . . mM . . . . 5483 1 2 'ZINC (II) ION' . . . 2 $ZN . . . . . mM . . . . 5483 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5483 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'single chain biopolymer' '[U-95% 15N]' . . 1 $AmpD . . 0.3 . . mg/ml . . . . 5483 2 2 'ZINC (II) ION' . . . 2 $ZN . . . . . mM . . . . 5483 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5483 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'single chain biopolymer' '[U-95% 13C; U-95% 15N]' . . 1 $AmpD . . 0.3 . . mM . . . . 5483 3 2 'ZINC (II) ION' . . . 2 $ZN . . . . . mM . . . . 5483 3 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5483 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 0.2 na 5483 1 temperature 304 1 K 5483 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5483 _Software.ID 1 _Software.Name XWINNMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral processing' 5483 1 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 5483 _Software.ID 2 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral processing' 5483 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 5483 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 5483 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5483 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer1 Bruker DMX . 600 . . . 5483 1 2 NMR_spectrometer2 Varian UnityPlus . 800 . . . 5483 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 5483 _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-1H DQF-COSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5483 1 2 '2D 1H-1H HOHAHA' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5483 1 3 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5483 1 4 '3D HNHB' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5483 1 5 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5483 1 6 '2D 1H-13C HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5483 1 7 '3D 1H-1H-15N TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5483 1 8 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5483 1 9 '3D HNCO' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5483 1 10 '3D HNCA' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5483 1 11 '3D HN(CO)CA' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5483 1 12 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5483 1 13 '3D HNCO(CO)NH' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5483 1 14 '3D H(C)CH-TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5483 1 15 '3D HC(C)H-TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5483 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5483 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H DQF-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5483 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H HOHAHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5483 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5483 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HNHB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5483 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5483 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5483 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 1H-1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5483 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 1H-1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5483 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5483 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5483 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5483 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5483 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D HNCO(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5483 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D H(C)CH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5483 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D HC(C)H-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5483 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5483 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5483 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5483 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5483 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H DQF-COSY' . . . 5483 1 2 '2D 1H-1H HOHAHA' . . . 5483 1 3 '2D 1H-1H NOESY' . . . 5483 1 4 '3D HNHB' . . . 5483 1 5 '2D 1H-15N HSQC' . . . 5483 1 6 '2D 1H-13C HSQC' . . . 5483 1 7 '3D 1H-1H-15N TOCSY' . . . 5483 1 8 '3D 1H-1H-15N NOESY' . . . 5483 1 9 '3D HNCO' . . . 5483 1 10 '3D HNCA' . . . 5483 1 11 '3D HN(CO)CA' . . . 5483 1 12 '3D CBCA(CO)NH' . . . 5483 1 13 '3D HNCO(CO)NH' . . . 5483 1 14 '3D H(C)CH-TOCSY' . . . 5483 1 15 '3D HC(C)H-TOCSY' . . . 5483 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 53.7 0.2 . 1 . . . . . . . . 5483 1 2 . 1 1 1 1 MET HA H 1 4.164 0.02 . 1 . . . . . . . . 5483 1 3 . 1 1 1 1 MET HB2 H 1 1.989 0.02 . 1 . . . . . . . . 5483 1 4 . 1 1 1 1 MET HB3 H 1 2.137 0.02 . 1 . . . . . . . . 5483 1 5 . 1 1 1 1 MET HG2 H 1 2.459 0.02 . 2 . . . . . . . . 5483 1 6 . 1 1 1 1 MET HG3 H 1 2.505 0.02 . 2 . . . . . . . . 5483 1 7 . 1 1 1 1 MET HE1 H 1 2.059 0.02 . 1 . . . . . . . . 5483 1 8 . 1 1 1 1 MET HE2 H 1 2.059 0.02 . 1 . . . . . . . . 5483 1 9 . 1 1 1 1 MET HE3 H 1 2.059 0.02 . 1 . . . . . . . . 5483 1 10 . 1 1 2 2 LEU N N 15 125.5 0.2 . 1 . . . . . . . . 5483 1 11 . 1 1 2 2 LEU H H 1 9.109 0.02 . 1 . . . . . . . . 5483 1 12 . 1 1 2 2 LEU CA C 13 55.0 0.2 . 1 . . . . . . . . 5483 1 13 . 1 1 2 2 LEU HA H 1 4.597 0.02 . 1 . . . . . . . . 5483 1 14 . 1 1 2 2 LEU CB C 13 44.7 0.2 . 1 . . . . . . . . 5483 1 15 . 1 1 2 2 LEU HB2 H 1 1.589 0.02 . 1 . . . . . . . . 5483 1 16 . 1 1 2 2 LEU HB3 H 1 1.622 0.02 . 1 . . . . . . . . 5483 1 17 . 1 1 2 2 LEU HG H 1 1.565 0.02 . 1 . . . . . . . . 5483 1 18 . 1 1 2 2 LEU HD11 H 1 0.858 0.02 . 1 . . . . . . . . 5483 1 19 . 1 1 2 2 LEU HD12 H 1 0.858 0.02 . 1 . . . . . . . . 5483 1 20 . 1 1 2 2 LEU HD13 H 1 0.858 0.02 . 1 . . . . . . . . 5483 1 21 . 1 1 2 2 LEU HD21 H 1 0.892 0.02 . 1 . . . . . . . . 5483 1 22 . 1 1 2 2 LEU HD22 H 1 0.892 0.02 . 1 . . . . . . . . 5483 1 23 . 1 1 2 2 LEU HD23 H 1 0.892 0.02 . 1 . . . . . . . . 5483 1 24 . 1 1 2 2 LEU CD1 C 13 24.6 0.2 . 1 . . . . . . . . 5483 1 25 . 1 1 2 2 LEU CD2 C 13 23.6 0.2 . 1 . . . . . . . . 5483 1 26 . 1 1 2 2 LEU C C 13 175.6 0.2 . 1 . . . . . . . . 5483 1 27 . 1 1 3 3 LEU N N 15 123.5 0.2 . 1 . . . . . . . . 5483 1 28 . 1 1 3 3 LEU H H 1 8.430 0.02 . 1 . . . . . . . . 5483 1 29 . 1 1 3 3 LEU CA C 13 54.5 0.2 . 1 . . . . . . . . 5483 1 30 . 1 1 3 3 LEU HA H 1 4.862 0.02 . 1 . . . . . . . . 5483 1 31 . 1 1 3 3 LEU CB C 13 44.4 0.2 . 1 . . . . . . . . 5483 1 32 . 1 1 3 3 LEU HB2 H 1 1.564 0.02 . 1 . . . . . . . . 5483 1 33 . 1 1 3 3 LEU HB3 H 1 1.643 0.02 . 1 . . . . . . . . 5483 1 34 . 1 1 3 3 LEU HG H 1 1.572 0.02 . 1 . . . . . . . . 5483 1 35 . 1 1 3 3 LEU HD11 H 1 0.752 0.02 . 1 . . . . . . . . 5483 1 36 . 1 1 3 3 LEU HD12 H 1 0.752 0.02 . 1 . . . . . . . . 5483 1 37 . 1 1 3 3 LEU HD13 H 1 0.752 0.02 . 1 . . . . . . . . 5483 1 38 . 1 1 3 3 LEU HD21 H 1 0.807 0.02 . 1 . . . . . . . . 5483 1 39 . 1 1 3 3 LEU HD22 H 1 0.807 0.02 . 1 . . . . . . . . 5483 1 40 . 1 1 3 3 LEU HD23 H 1 0.807 0.02 . 1 . . . . . . . . 5483 1 41 . 1 1 3 3 LEU CD1 C 13 25.2 0.2 . 1 . . . . . . . . 5483 1 42 . 1 1 3 3 LEU CD2 C 13 23.7 0.2 . 1 . . . . . . . . 5483 1 43 . 1 1 3 3 LEU C C 13 176.3 0.2 . 1 . . . . . . . . 5483 1 44 . 1 1 4 4 ASP N N 15 124.1 0.2 . 1 . . . . . . . . 5483 1 45 . 1 1 4 4 ASP H H 1 9.259 0.02 . 1 . . . . . . . . 5483 1 46 . 1 1 4 4 ASP CA C 13 54.2 0.2 . 1 . . . . . . . . 5483 1 47 . 1 1 4 4 ASP HA H 1 4.753 0.02 . 1 . . . . . . . . 5483 1 48 . 1 1 4 4 ASP CB C 13 43.1 0.2 . 1 . . . . . . . . 5483 1 49 . 1 1 4 4 ASP HB2 H 1 2.439 0.02 . 1 . . . . . . . . 5483 1 50 . 1 1 4 4 ASP HB3 H 1 2.729 0.02 . 1 . . . . . . . . 5483 1 51 . 1 1 4 4 ASP C C 13 176.0 0.2 . 1 . . . . . . . . 5483 1 52 . 1 1 5 5 GLU N N 15 121.9 0.2 . 1 . . . . . . . . 5483 1 53 . 1 1 5 5 GLU H H 1 8.959 0.02 . 1 . . . . . . . . 5483 1 54 . 1 1 5 5 GLU CA C 13 57.5 0.2 . 1 . . . . . . . . 5483 1 55 . 1 1 5 5 GLU HA H 1 3.911 0.02 . 1 . . . . . . . . 5483 1 56 . 1 1 5 5 GLU CB C 13 29.6 0.2 . 1 . . . . . . . . 5483 1 57 . 1 1 5 5 GLU HB2 H 1 2.269 0.02 . 1 . . . . . . . . 5483 1 58 . 1 1 5 5 GLU HB3 H 1 2.269 0.02 . 1 . . . . . . . . 5483 1 59 . 1 1 5 5 GLU HG2 H 1 2.396 0.02 . 1 . . . . . . . . 5483 1 60 . 1 1 5 5 GLU HG3 H 1 2.396 0.02 . 1 . . . . . . . . 5483 1 61 . 1 1 5 5 GLU C C 13 176.1 0.2 . 1 . . . . . . . . 5483 1 62 . 1 1 6 6 GLY N N 15 105.5 0.2 . 1 . . . . . . . . 5483 1 63 . 1 1 6 6 GLY H H 1 8.363 0.02 . 1 . . . . . . . . 5483 1 64 . 1 1 6 6 GLY CA C 13 45.6 0.2 . 1 . . . . . . . . 5483 1 65 . 1 1 6 6 GLY HA2 H 1 3.975 0.02 . 1 . . . . . . . . 5483 1 66 . 1 1 6 6 GLY HA3 H 1 3.975 0.02 . 1 . . . . . . . . 5483 1 67 . 1 1 6 6 GLY C C 13 172.8 0.2 . 1 . . . . . . . . 5483 1 68 . 1 1 7 7 TRP N N 15 119.0 0.2 . 1 . . . . . . . . 5483 1 69 . 1 1 7 7 TRP H H 1 7.777 0.02 . 1 . . . . . . . . 5483 1 70 . 1 1 7 7 TRP CA C 13 55.0 0.2 . 1 . . . . . . . . 5483 1 71 . 1 1 7 7 TRP HA H 1 4.517 0.02 . 1 . . . . . . . . 5483 1 72 . 1 1 7 7 TRP HB2 H 1 2.801 0.02 . 1 . . . . . . . . 5483 1 73 . 1 1 7 7 TRP HB3 H 1 2.936 0.02 . 1 . . . . . . . . 5483 1 74 . 1 1 7 7 TRP CD1 C 13 129.1 0.2 . 1 . . . . . . . . 5483 1 75 . 1 1 7 7 TRP CE3 C 13 119.0 0.2 . 1 . . . . . . . . 5483 1 76 . 1 1 7 7 TRP NE1 N 15 129.3 0.2 . 1 . . . . . . . . 5483 1 77 . 1 1 7 7 TRP HD1 H 1 7.106 0.02 . 1 . . . . . . . . 5483 1 78 . 1 1 7 7 TRP HE3 H 1 7.025 0.02 . 1 . . . . . . . . 5483 1 79 . 1 1 7 7 TRP CZ3 C 13 120.1 0.2 . 1 . . . . . . . . 5483 1 80 . 1 1 7 7 TRP CZ2 C 13 114.1 0.2 . 1 . . . . . . . . 5483 1 81 . 1 1 7 7 TRP HE1 H 1 10.069 0.02 . 1 . . . . . . . . 5483 1 82 . 1 1 7 7 TRP HZ3 H 1 6.425 0.02 . 1 . . . . . . . . 5483 1 83 . 1 1 7 7 TRP CH2 C 13 122.0 0.2 . 1 . . . . . . . . 5483 1 84 . 1 1 7 7 TRP HZ2 H 1 7.251 0.02 . 1 . . . . . . . . 5483 1 85 . 1 1 7 7 TRP HH2 H 1 6.485 0.02 . 1 . . . . . . . . 5483 1 86 . 1 1 7 7 TRP C C 13 176.3 0.2 . 1 . . . . . . . . 5483 1 87 . 1 1 8 8 LEU N N 15 124.3 0.2 . 1 . . . . . . . . 5483 1 88 . 1 1 8 8 LEU H H 1 9.707 0.02 . 1 . . . . . . . . 5483 1 89 . 1 1 8 8 LEU CA C 13 54.6 0.2 . 1 . . . . . . . . 5483 1 90 . 1 1 8 8 LEU HA H 1 4.723 0.02 . 1 . . . . . . . . 5483 1 91 . 1 1 8 8 LEU CB C 13 43.4 0.2 . 1 . . . . . . . . 5483 1 92 . 1 1 8 8 LEU HB2 H 1 1.662 0.02 . 1 . . . . . . . . 5483 1 93 . 1 1 8 8 LEU HB3 H 1 1.837 0.02 . 1 . . . . . . . . 5483 1 94 . 1 1 8 8 LEU HG H 1 2.001 0.02 . 1 . . . . . . . . 5483 1 95 . 1 1 8 8 LEU HD11 H 1 1.000 0.02 . 1 . . . . . . . . 5483 1 96 . 1 1 8 8 LEU HD12 H 1 1.000 0.02 . 1 . . . . . . . . 5483 1 97 . 1 1 8 8 LEU HD13 H 1 1.000 0.02 . 1 . . . . . . . . 5483 1 98 . 1 1 8 8 LEU HD21 H 1 1.087 0.02 . 1 . . . . . . . . 5483 1 99 . 1 1 8 8 LEU HD22 H 1 1.087 0.02 . 1 . . . . . . . . 5483 1 100 . 1 1 8 8 LEU HD23 H 1 1.087 0.02 . 1 . . . . . . . . 5483 1 101 . 1 1 8 8 LEU CD1 C 13 25.7 0.2 . 1 . . . . . . . . 5483 1 102 . 1 1 8 8 LEU CD2 C 13 21.7 0.2 . 1 . . . . . . . . 5483 1 103 . 1 1 8 8 LEU C C 13 178.5 0.2 . 1 . . . . . . . . 5483 1 104 . 1 1 9 9 ALA N N 15 129.6 0.2 . 1 . . . . . . . . 5483 1 105 . 1 1 9 9 ALA H H 1 9.015 0.02 . 1 . . . . . . . . 5483 1 106 . 1 1 9 9 ALA CA C 13 55.0 0.2 . 1 . . . . . . . . 5483 1 107 . 1 1 9 9 ALA HA H 1 4.118 0.02 . 1 . . . . . . . . 5483 1 108 . 1 1 9 9 ALA HB1 H 1 1.427 0.02 . 1 . . . . . . . . 5483 1 109 . 1 1 9 9 ALA HB2 H 1 1.427 0.02 . 1 . . . . . . . . 5483 1 110 . 1 1 9 9 ALA HB3 H 1 1.427 0.02 . 1 . . . . . . . . 5483 1 111 . 1 1 9 9 ALA CB C 13 19.1 0.2 . 1 . . . . . . . . 5483 1 112 . 1 1 9 9 ALA C C 13 179.0 0.2 . 1 . . . . . . . . 5483 1 113 . 1 1 10 10 GLU N N 15 113.2 0.2 . 1 . . . . . . . . 5483 1 114 . 1 1 10 10 GLU H H 1 8.488 0.02 . 1 . . . . . . . . 5483 1 115 . 1 1 10 10 GLU CA C 13 57.0 0.2 . 1 . . . . . . . . 5483 1 116 . 1 1 10 10 GLU HA H 1 4.233 0.02 . 1 . . . . . . . . 5483 1 117 . 1 1 10 10 GLU CB C 13 30.6 0.2 . 1 . . . . . . . . 5483 1 118 . 1 1 10 10 GLU HB2 H 1 1.915 0.02 . 1 . . . . . . . . 5483 1 119 . 1 1 10 10 GLU HB3 H 1 2.201 0.02 . 1 . . . . . . . . 5483 1 120 . 1 1 10 10 GLU HG2 H 1 2.380 0.02 . 1 . . . . . . . . 5483 1 121 . 1 1 10 10 GLU HG3 H 1 2.380 0.02 . 1 . . . . . . . . 5483 1 122 . 1 1 10 10 GLU C C 13 176.2 0.2 . 1 . . . . . . . . 5483 1 123 . 1 1 11 11 ALA N N 15 119.8 0.2 . 1 . . . . . . . . 5483 1 124 . 1 1 11 11 ALA H H 1 7.098 0.02 . 1 . . . . . . . . 5483 1 125 . 1 1 11 11 ALA CA C 13 51.7 0.2 . 1 . . . . . . . . 5483 1 126 . 1 1 11 11 ALA HA H 1 4.386 0.02 . 1 . . . . . . . . 5483 1 127 . 1 1 11 11 ALA HB1 H 1 1.334 0.02 . 1 . . . . . . . . 5483 1 128 . 1 1 11 11 ALA HB2 H 1 1.334 0.02 . 1 . . . . . . . . 5483 1 129 . 1 1 11 11 ALA HB3 H 1 1.334 0.02 . 1 . . . . . . . . 5483 1 130 . 1 1 11 11 ALA CB C 13 21.4 0.2 . 1 . . . . . . . . 5483 1 131 . 1 1 11 11 ALA C C 13 177.2 0.2 . 1 . . . . . . . . 5483 1 132 . 1 1 12 12 ARG N N 15 124.1 0.2 . 1 . . . . . . . . 5483 1 133 . 1 1 12 12 ARG H H 1 8.529 0.02 . 1 . . . . . . . . 5483 1 134 . 1 1 12 12 ARG CA C 13 56.6 0.2 . 1 . . . . . . . . 5483 1 135 . 1 1 12 12 ARG HA H 1 4.286 0.02 . 1 . . . . . . . . 5483 1 136 . 1 1 12 12 ARG CB C 13 32.4 0.2 . 1 . . . . . . . . 5483 1 137 . 1 1 12 12 ARG HB2 H 1 1.763 0.02 . 1 . . . . . . . . 5483 1 138 . 1 1 12 12 ARG HB3 H 1 1.847 0.02 . 1 . . . . . . . . 5483 1 139 . 1 1 12 12 ARG HG2 H 1 1.673 0.02 . 1 . . . . . . . . 5483 1 140 . 1 1 12 12 ARG HG3 H 1 1.673 0.02 . 1 . . . . . . . . 5483 1 141 . 1 1 12 12 ARG HD2 H 1 3.201 0.02 . 1 . . . . . . . . 5483 1 142 . 1 1 12 12 ARG HD3 H 1 3.201 0.02 . 1 . . . . . . . . 5483 1 143 . 1 1 12 12 ARG C C 13 175.1 0.2 . 1 . . . . . . . . 5483 1 144 . 1 1 13 13 ARG N N 15 126.8 0.2 . 1 . . . . . . . . 5483 1 145 . 1 1 13 13 ARG H H 1 8.694 0.02 . 1 . . . . . . . . 5483 1 146 . 1 1 13 13 ARG CA C 13 56.5 0.2 . 1 . . . . . . . . 5483 1 147 . 1 1 13 13 ARG HA H 1 4.649 0.02 . 1 . . . . . . . . 5483 1 148 . 1 1 13 13 ARG CB C 13 30.0 0.2 . 1 . . . . . . . . 5483 1 149 . 1 1 13 13 ARG HB2 H 1 1.822 0.02 . 2 . . . . . . . . 5483 1 150 . 1 1 13 13 ARG HB3 H 1 1.958 0.02 . 2 . . . . . . . . 5483 1 151 . 1 1 13 13 ARG C C 13 176.4 0.2 . 1 . . . . . . . . 5483 1 152 . 1 1 14 14 VAL N N 15 127.4 0.2 . 1 . . . . . . . . 5483 1 153 . 1 1 14 14 VAL H H 1 8.359 0.02 . 1 . . . . . . . . 5483 1 154 . 1 1 14 14 VAL CA C 13 59.4 0.2 . 1 . . . . . . . . 5483 1 155 . 1 1 14 14 VAL HA H 1 4.120 0.02 . 1 . . . . . . . . 5483 1 156 . 1 1 14 14 VAL HB H 1 1.765 0.02 . 1 . . . . . . . . 5483 1 157 . 1 1 14 14 VAL HG11 H 1 0.813 0.02 . 1 . . . . . . . . 5483 1 158 . 1 1 14 14 VAL HG12 H 1 0.813 0.02 . 1 . . . . . . . . 5483 1 159 . 1 1 14 14 VAL HG13 H 1 0.813 0.02 . 1 . . . . . . . . 5483 1 160 . 1 1 14 14 VAL HG21 H 1 0.573 0.02 . 1 . . . . . . . . 5483 1 161 . 1 1 14 14 VAL HG22 H 1 0.573 0.02 . 1 . . . . . . . . 5483 1 162 . 1 1 14 14 VAL HG23 H 1 0.573 0.02 . 1 . . . . . . . . 5483 1 163 . 1 1 14 14 VAL CG1 C 13 21.5 0.2 . 1 . . . . . . . . 5483 1 164 . 1 1 14 14 VAL CG2 C 13 21.8 0.2 . 1 . . . . . . . . 5483 1 165 . 1 1 14 14 VAL C C 13 171.1 0.2 . 1 . . . . . . . . 5483 1 166 . 1 1 15 15 PRO CA C 13 63.8 0.2 . 1 . . . . . . . . 5483 1 167 . 1 1 15 15 PRO HA H 1 4.488 0.02 . 1 . . . . . . . . 5483 1 168 . 1 1 15 15 PRO HB2 H 1 1.965 0.02 . 2 . . . . . . . . 5483 1 169 . 1 1 15 15 PRO HB3 H 1 2.226 0.02 . 2 . . . . . . . . 5483 1 170 . 1 1 15 15 PRO HG2 H 1 1.589 0.02 . 2 . . . . . . . . 5483 1 171 . 1 1 15 15 PRO HG3 H 1 2.027 0.02 . 2 . . . . . . . . 5483 1 172 . 1 1 15 15 PRO HD2 H 1 3.155 0.02 . 2 . . . . . . . . 5483 1 173 . 1 1 15 15 PRO HD3 H 1 3.484 0.02 . 2 . . . . . . . . 5483 1 174 . 1 1 15 15 PRO C C 13 177.4 0.2 . 1 . . . . . . . . 5483 1 175 . 1 1 16 16 SER N N 15 118.0 0.2 . 1 . . . . . . . . 5483 1 176 . 1 1 16 16 SER H H 1 8.730 0.02 . 1 . . . . . . . . 5483 1 177 . 1 1 16 16 SER CA C 13 54.0 0.2 . 1 . . . . . . . . 5483 1 178 . 1 1 16 16 SER HA H 1 4.791 0.02 . 1 . . . . . . . . 5483 1 179 . 1 1 16 16 SER HB2 H 1 3.528 0.02 . 1 . . . . . . . . 5483 1 180 . 1 1 16 16 SER HB3 H 1 3.849 0.02 . 1 . . . . . . . . 5483 1 181 . 1 1 16 16 SER HG H 1 6.114 0.02 . 1 . . . . . . . . 5483 1 182 . 1 1 17 17 PRO CA C 13 63.0 0.2 . 1 . . . . . . . . 5483 1 183 . 1 1 17 17 PRO HA H 1 4.199 0.02 . 1 . . . . . . . . 5483 1 184 . 1 1 17 17 PRO HD2 H 1 3.370 0.02 . 2 . . . . . . . . 5483 1 185 . 1 1 17 17 PRO HD3 H 1 3.716 0.02 . 2 . . . . . . . . 5483 1 186 . 1 1 17 17 PRO C C 13 176.9 0.2 . 1 . . . . . . . . 5483 1 187 . 1 1 18 18 HIS N N 15 123.4 0.2 . 1 . . . . . . . . 5483 1 188 . 1 1 18 18 HIS H H 1 8.118 0.02 . 1 . . . . . . . . 5483 1 189 . 1 1 18 18 HIS CA C 13 51.2 0.2 . 1 . . . . . . . . 5483 1 190 . 1 1 18 18 HIS HA H 1 4.110 0.02 . 1 . . . . . . . . 5483 1 191 . 1 1 18 18 HIS CB C 13 28.0 0.2 . 1 . . . . . . . . 5483 1 192 . 1 1 18 18 HIS HB2 H 1 2.403 0.02 . 1 . . . . . . . . 5483 1 193 . 1 1 18 18 HIS HB3 H 1 2.652 0.02 . 1 . . . . . . . . 5483 1 194 . 1 1 18 18 HIS ND1 N 15 177.5 0.2 . 1 . . . . . . . . 5483 1 195 . 1 1 18 18 HIS NE2 N 15 173.6 0.2 . 1 . . . . . . . . 5483 1 196 . 1 1 18 18 HIS HD2 H 1 7.208 0.02 . 1 . . . . . . . . 5483 1 197 . 1 1 18 18 HIS HE1 H 1 8.470 0.02 . 1 . . . . . . . . 5483 1 198 . 1 1 18 18 HIS C C 13 170.4 0.2 . 1 . . . . . . . . 5483 1 199 . 1 1 19 19 TYR N N 15 116.3 0.2 . 1 . . . . . . . . 5483 1 200 . 1 1 19 19 TYR H H 1 6.763 0.02 . 1 . . . . . . . . 5483 1 201 . 1 1 19 19 TYR CA C 13 55.7 0.2 . 1 . . . . . . . . 5483 1 202 . 1 1 19 19 TYR HA H 1 3.726 0.02 . 1 . . . . . . . . 5483 1 203 . 1 1 19 19 TYR CB C 13 35.9 0.2 . 1 . . . . . . . . 5483 1 204 . 1 1 19 19 TYR HB2 H 1 2.303 0.02 . 1 . . . . . . . . 5483 1 205 . 1 1 19 19 TYR HB3 H 1 2.376 0.02 . 1 . . . . . . . . 5483 1 206 . 1 1 19 19 TYR CD1 C 13 133.6 0.2 . 1 . . . . . . . . 5483 1 207 . 1 1 19 19 TYR HD1 H 1 6.798 0.02 . 1 . . . . . . . . 5483 1 208 . 1 1 19 19 TYR CE1 C 13 117.8 0.2 . 1 . . . . . . . . 5483 1 209 . 1 1 19 19 TYR HE1 H 1 6.752 0.02 . 1 . . . . . . . . 5483 1 210 . 1 1 19 19 TYR CE2 C 13 117.8 0.2 . 1 . . . . . . . . 5483 1 211 . 1 1 19 19 TYR HE2 H 1 6.752 0.02 . 1 . . . . . . . . 5483 1 212 . 1 1 19 19 TYR CD2 C 13 133.6 0.2 . 1 . . . . . . . . 5483 1 213 . 1 1 19 19 TYR HD2 H 1 6.798 0.02 . 1 . . . . . . . . 5483 1 214 . 1 1 19 19 TYR C C 13 171.5 0.2 . 1 . . . . . . . . 5483 1 215 . 1 1 20 20 ASP N N 15 121.6 0.2 . 1 . . . . . . . . 5483 1 216 . 1 1 20 20 ASP H H 1 8.547 0.02 . 1 . . . . . . . . 5483 1 217 . 1 1 20 20 ASP CA C 13 52.8 0.2 . 1 . . . . . . . . 5483 1 218 . 1 1 20 20 ASP HA H 1 4.504 0.02 . 1 . . . . . . . . 5483 1 219 . 1 1 20 20 ASP CB C 13 40.8 0.2 . 1 . . . . . . . . 5483 1 220 . 1 1 20 20 ASP HB2 H 1 3.220 0.02 . 1 . . . . . . . . 5483 1 221 . 1 1 20 20 ASP HB3 H 1 3.318 0.02 . 1 . . . . . . . . 5483 1 222 . 1 1 20 20 ASP C C 13 174.8 0.2 . 1 . . . . . . . . 5483 1 223 . 1 1 21 21 CYS N N 15 115.9 0.2 . 1 . . . . . . . . 5483 1 224 . 1 1 21 21 CYS H H 1 8.198 0.02 . 1 . . . . . . . . 5483 1 225 . 1 1 21 21 CYS CA C 13 59.9 0.2 . 1 . . . . . . . . 5483 1 226 . 1 1 21 21 CYS HA H 1 4.767 0.02 . 1 . . . . . . . . 5483 1 227 . 1 1 21 21 CYS CB C 13 29.1 0.2 . 1 . . . . . . . . 5483 1 228 . 1 1 21 21 CYS HB2 H 1 2.871 0.02 . 1 . . . . . . . . 5483 1 229 . 1 1 21 21 CYS HB3 H 1 3.070 0.02 . 1 . . . . . . . . 5483 1 230 . 1 1 21 21 CYS C C 13 175.8 0.2 . 1 . . . . . . . . 5483 1 231 . 1 1 22 22 ARG N N 15 122.4 0.2 . 1 . . . . . . . . 5483 1 232 . 1 1 22 22 ARG H H 1 9.549 0.02 . 1 . . . . . . . . 5483 1 233 . 1 1 22 22 ARG CA C 13 55.5 0.2 . 1 . . . . . . . . 5483 1 234 . 1 1 22 22 ARG HA H 1 4.314 0.02 . 1 . . . . . . . . 5483 1 235 . 1 1 22 22 ARG HB2 H 1 1.738 0.02 . 1 . . . . . . . . 5483 1 236 . 1 1 22 22 ARG HB3 H 1 1.930 0.02 . 1 . . . . . . . . 5483 1 237 . 1 1 22 22 ARG HG2 H 1 1.632 0.02 . 2 . . . . . . . . 5483 1 238 . 1 1 22 22 ARG HG3 H 1 1.715 0.02 . 2 . . . . . . . . 5483 1 239 . 1 1 22 22 ARG HD2 H 1 3.334 0.02 . 2 . . . . . . . . 5483 1 240 . 1 1 22 22 ARG HD3 H 1 3.414 0.02 . 2 . . . . . . . . 5483 1 241 . 1 1 22 22 ARG HE H 1 5.578 0.02 . 1 . . . . . . . . 5483 1 242 . 1 1 22 22 ARG C C 13 174.7 0.2 . 1 . . . . . . . . 5483 1 243 . 1 1 23 23 PRO CA C 13 63.6 0.2 . 1 . . . . . . . . 5483 1 244 . 1 1 23 23 PRO HA H 1 4.323 0.02 . 1 . . . . . . . . 5483 1 245 . 1 1 23 23 PRO HB2 H 1 1.950 0.02 . 2 . . . . . . . . 5483 1 246 . 1 1 23 23 PRO HB3 H 1 2.280 0.02 . 2 . . . . . . . . 5483 1 247 . 1 1 23 23 PRO HG2 H 1 2.013 0.02 . 2 . . . . . . . . 5483 1 248 . 1 1 23 23 PRO HG3 H 1 2.158 0.02 . 2 . . . . . . . . 5483 1 249 . 1 1 23 23 PRO HD2 H 1 3.676 0.02 . 2 . . . . . . . . 5483 1 250 . 1 1 23 23 PRO HD3 H 1 3.889 0.02 . 2 . . . . . . . . 5483 1 251 . 1 1 23 23 PRO C C 13 177.5 0.2 . 1 . . . . . . . . 5483 1 252 . 1 1 24 24 ASP N N 15 120.7 0.2 . 1 . . . . . . . . 5483 1 253 . 1 1 24 24 ASP H H 1 8.892 0.02 . 1 . . . . . . . . 5483 1 254 . 1 1 24 24 ASP CA C 13 56.0 0.2 . 1 . . . . . . . . 5483 1 255 . 1 1 24 24 ASP HA H 1 4.298 0.02 . 1 . . . . . . . . 5483 1 256 . 1 1 24 24 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 5483 1 257 . 1 1 24 24 ASP HB3 H 1 2.697 0.02 . 1 . . . . . . . . 5483 1 258 . 1 1 24 24 ASP HB2 H 1 2.855 0.02 . 1 . . . . . . . . 5483 1 259 . 1 1 24 24 ASP C C 13 174.7 0.2 . 1 . . . . . . . . 5483 1 260 . 1 1 25 25 ASP N N 15 115.1 0.2 . 1 . . . . . . . . 5483 1 261 . 1 1 25 25 ASP H H 1 8.413 0.02 . 1 . . . . . . . . 5483 1 262 . 1 1 25 25 ASP CA C 13 55.5 0.2 . 1 . . . . . . . . 5483 1 263 . 1 1 25 25 ASP HA H 1 4.288 0.02 . 1 . . . . . . . . 5483 1 264 . 1 1 25 25 ASP CB C 13 40.6 0.2 . 1 . . . . . . . . 5483 1 265 . 1 1 25 25 ASP HB2 H 1 2.694 0.02 . 2 . . . . . . . . 5483 1 266 . 1 1 25 25 ASP HB3 H 1 2.950 0.02 . 2 . . . . . . . . 5483 1 267 . 1 1 25 25 ASP C C 13 175.4 0.2 . 1 . . . . . . . . 5483 1 268 . 1 1 26 26 GLU N N 15 119.4 0.2 . 1 . . . . . . . . 5483 1 269 . 1 1 26 26 GLU H H 1 7.192 0.02 . 1 . . . . . . . . 5483 1 270 . 1 1 26 26 GLU CA C 13 57.1 0.2 . 1 . . . . . . . . 5483 1 271 . 1 1 26 26 GLU HA H 1 3.962 0.02 . 1 . . . . . . . . 5483 1 272 . 1 1 26 26 GLU CB C 13 31.8 0.2 . 1 . . . . . . . . 5483 1 273 . 1 1 26 26 GLU HB2 H 1 1.791 0.02 . 1 . . . . . . . . 5483 1 274 . 1 1 26 26 GLU HB3 H 1 2.023 0.02 . 1 . . . . . . . . 5483 1 275 . 1 1 26 26 GLU HG2 H 1 2.298 0.02 . 1 . . . . . . . . 5483 1 276 . 1 1 26 26 GLU HG3 H 1 2.298 0.02 . 1 . . . . . . . . 5483 1 277 . 1 1 26 26 GLU C C 13 176.2 0.2 . 1 . . . . . . . . 5483 1 278 . 1 1 27 27 ASN N N 15 123.2 0.2 . 1 . . . . . . . . 5483 1 279 . 1 1 27 27 ASN H H 1 8.665 0.02 . 1 . . . . . . . . 5483 1 280 . 1 1 27 27 ASN CA C 13 50.9 0.2 . 1 . . . . . . . . 5483 1 281 . 1 1 27 27 ASN HA H 1 4.924 0.02 . 1 . . . . . . . . 5483 1 282 . 1 1 27 27 ASN HB2 H 1 2.639 0.02 . 1 . . . . . . . . 5483 1 283 . 1 1 27 27 ASN HB3 H 1 2.839 0.02 . 1 . . . . . . . . 5483 1 284 . 1 1 27 27 ASN ND2 N 15 113.2 0.2 . 1 . . . . . . . . 5483 1 285 . 1 1 27 27 ASN HD22 H 1 7.280 0.02 . 1 . . . . . . . . 5483 1 286 . 1 1 27 27 ASN HD21 H 1 7.688 0.02 . 1 . . . . . . . . 5483 1 287 . 1 1 27 27 ASN C C 13 173.2 0.2 . 1 . . . . . . . . 5483 1 288 . 1 1 28 28 PRO CA C 13 62.8 0.2 . 1 . . . . . . . . 5483 1 289 . 1 1 28 28 PRO HA H 1 3.998 0.02 . 1 . . . . . . . . 5483 1 290 . 1 1 28 28 PRO HD2 H 1 3.031 0.02 . 2 . . . . . . . . 5483 1 291 . 1 1 28 28 PRO HD3 H 1 3.299 0.02 . 2 . . . . . . . . 5483 1 292 . 1 1 28 28 PRO C C 13 174.8 0.2 . 1 . . . . . . . . 5483 1 293 . 1 1 29 29 SER N N 15 110.1 0.2 . 1 . . . . . . . . 5483 1 294 . 1 1 29 29 SER H H 1 8.411 0.02 . 1 . . . . . . . . 5483 1 295 . 1 1 29 29 SER CA C 13 56.9 0.2 . 1 . . . . . . . . 5483 1 296 . 1 1 29 29 SER HA H 1 4.264 0.02 . 1 . . . . . . . . 5483 1 297 . 1 1 29 29 SER CB C 13 64.1 0.2 . 1 . . . . . . . . 5483 1 298 . 1 1 29 29 SER HB2 H 1 3.572 0.02 . 1 . . . . . . . . 5483 1 299 . 1 1 29 29 SER HB3 H 1 3.988 0.02 . 1 . . . . . . . . 5483 1 300 . 1 1 29 29 SER C C 13 171.2 0.2 . 1 . . . . . . . . 5483 1 301 . 1 1 30 30 LEU N N 15 120.8 0.2 . 1 . . . . . . . . 5483 1 302 . 1 1 30 30 LEU H H 1 7.153 0.02 . 1 . . . . . . . . 5483 1 303 . 1 1 30 30 LEU CA C 13 53.7 0.2 . 1 . . . . . . . . 5483 1 304 . 1 1 30 30 LEU HA H 1 4.912 0.02 . 1 . . . . . . . . 5483 1 305 . 1 1 30 30 LEU HB2 H 1 1.229 0.02 . 1 . . . . . . . . 5483 1 306 . 1 1 30 30 LEU HB3 H 1 1.275 0.02 . 1 . . . . . . . . 5483 1 307 . 1 1 30 30 LEU HG H 1 0.773 0.02 . 1 . . . . . . . . 5483 1 308 . 1 1 30 30 LEU HD11 H 1 0.108 0.02 . 1 . . . . . . . . 5483 1 309 . 1 1 30 30 LEU HD12 H 1 0.108 0.02 . 1 . . . . . . . . 5483 1 310 . 1 1 30 30 LEU HD13 H 1 0.108 0.02 . 1 . . . . . . . . 5483 1 311 . 1 1 30 30 LEU HD21 H 1 -0.099 0.02 . 1 . . . . . . . . 5483 1 312 . 1 1 30 30 LEU HD22 H 1 -0.099 0.02 . 1 . . . . . . . . 5483 1 313 . 1 1 30 30 LEU HD23 H 1 -0.099 0.02 . 1 . . . . . . . . 5483 1 314 . 1 1 30 30 LEU CD1 C 13 20.9 0.2 . 1 . . . . . . . . 5483 1 315 . 1 1 30 30 LEU CD2 C 13 26.1 0.2 . 1 . . . . . . . . 5483 1 316 . 1 1 30 30 LEU C C 13 173.8 0.2 . 1 . . . . . . . . 5483 1 317 . 1 1 31 31 LEU N N 15 129.5 0.2 . 1 . . . . . . . . 5483 1 318 . 1 1 31 31 LEU H H 1 8.686 0.02 . 1 . . . . . . . . 5483 1 319 . 1 1 31 31 LEU CA C 13 53.9 0.2 . 1 . . . . . . . . 5483 1 320 . 1 1 31 31 LEU HA H 1 4.888 0.02 . 1 . . . . . . . . 5483 1 321 . 1 1 31 31 LEU CB C 13 46.2 0.2 . 1 . . . . . . . . 5483 1 322 . 1 1 31 31 LEU HB2 H 1 1.261 0.02 . 1 . . . . . . . . 5483 1 323 . 1 1 31 31 LEU HB3 H 1 1.953 0.02 . 1 . . . . . . . . 5483 1 324 . 1 1 31 31 LEU HG H 1 1.339 0.02 . 1 . . . . . . . . 5483 1 325 . 1 1 31 31 LEU HD11 H 1 0.716 0.02 . 1 . . . . . . . . 5483 1 326 . 1 1 31 31 LEU HD12 H 1 0.716 0.02 . 1 . . . . . . . . 5483 1 327 . 1 1 31 31 LEU HD13 H 1 0.716 0.02 . 1 . . . . . . . . 5483 1 328 . 1 1 31 31 LEU HD21 H 1 0.896 0.02 . 1 . . . . . . . . 5483 1 329 . 1 1 31 31 LEU HD22 H 1 0.896 0.02 . 1 . . . . . . . . 5483 1 330 . 1 1 31 31 LEU HD23 H 1 0.896 0.02 . 1 . . . . . . . . 5483 1 331 . 1 1 31 31 LEU CD1 C 13 24.6 0.2 . 1 . . . . . . . . 5483 1 332 . 1 1 31 31 LEU CD2 C 13 26.9 0.2 . 1 . . . . . . . . 5483 1 333 . 1 1 31 31 LEU C C 13 174.0 0.2 . 1 . . . . . . . . 5483 1 334 . 1 1 32 32 VAL N N 15 125.5 0.2 . 1 . . . . . . . . 5483 1 335 . 1 1 32 32 VAL H H 1 8.962 0.02 . 1 . . . . . . . . 5483 1 336 . 1 1 32 32 VAL CA C 13 60.6 0.2 . 1 . . . . . . . . 5483 1 337 . 1 1 32 32 VAL HA H 1 4.486 0.02 . 1 . . . . . . . . 5483 1 338 . 1 1 32 32 VAL HB H 1 1.792 0.02 . 1 . . . . . . . . 5483 1 339 . 1 1 32 32 VAL HG11 H 1 0.105 0.02 . 1 . . . . . . . . 5483 1 340 . 1 1 32 32 VAL HG12 H 1 0.105 0.02 . 1 . . . . . . . . 5483 1 341 . 1 1 32 32 VAL HG13 H 1 0.105 0.02 . 1 . . . . . . . . 5483 1 342 . 1 1 32 32 VAL HG21 H 1 0.584 0.02 . 1 . . . . . . . . 5483 1 343 . 1 1 32 32 VAL HG22 H 1 0.584 0.02 . 1 . . . . . . . . 5483 1 344 . 1 1 32 32 VAL HG23 H 1 0.584 0.02 . 1 . . . . . . . . 5483 1 345 . 1 1 32 32 VAL CG1 C 13 20.4 0.2 . 1 . . . . . . . . 5483 1 346 . 1 1 32 32 VAL CG2 C 13 21.4 0.2 . 1 . . . . . . . . 5483 1 347 . 1 1 32 32 VAL C C 13 173.8 0.2 . 1 . . . . . . . . 5483 1 348 . 1 1 33 33 VAL N N 15 127.3 0.2 . 1 . . . . . . . . 5483 1 349 . 1 1 33 33 VAL H H 1 8.752 0.02 . 1 . . . . . . . . 5483 1 350 . 1 1 33 33 VAL CA C 13 62.5 0.2 . 1 . . . . . . . . 5483 1 351 . 1 1 33 33 VAL HA H 1 4.220 0.02 . 1 . . . . . . . . 5483 1 352 . 1 1 33 33 VAL HB H 1 1.343 0.02 . 1 . . . . . . . . 5483 1 353 . 1 1 33 33 VAL HG11 H 1 -0.088 0.02 . 1 . . . . . . . . 5483 1 354 . 1 1 33 33 VAL HG12 H 1 -0.088 0.02 . 1 . . . . . . . . 5483 1 355 . 1 1 33 33 VAL HG13 H 1 -0.088 0.02 . 1 . . . . . . . . 5483 1 356 . 1 1 33 33 VAL HG21 H 1 0.435 0.02 . 1 . . . . . . . . 5483 1 357 . 1 1 33 33 VAL HG22 H 1 0.435 0.02 . 1 . . . . . . . . 5483 1 358 . 1 1 33 33 VAL HG23 H 1 0.435 0.02 . 1 . . . . . . . . 5483 1 359 . 1 1 33 33 VAL CG1 C 13 21.0 0.2 . 1 . . . . . . . . 5483 1 360 . 1 1 33 33 VAL CG2 C 13 21.2 0.2 . 1 . . . . . . . . 5483 1 361 . 1 1 33 33 VAL C C 13 174.3 0.2 . 1 . . . . . . . . 5483 1 362 . 1 1 34 34 HIS N N 15 124.2 0.2 . 1 . . . . . . . . 5483 1 363 . 1 1 34 34 HIS H H 1 8.375 0.02 . 1 . . . . . . . . 5483 1 364 . 1 1 34 34 HIS CA C 13 54.4 0.2 . 1 . . . . . . . . 5483 1 365 . 1 1 34 34 HIS HA H 1 5.247 0.02 . 1 . . . . . . . . 5483 1 366 . 1 1 34 34 HIS HB2 H 1 2.356 0.02 . 1 . . . . . . . . 5483 1 367 . 1 1 34 34 HIS HB3 H 1 3.262 0.02 . 1 . . . . . . . . 5483 1 368 . 1 1 34 34 HIS ND1 N 15 218.8 0.2 . 1 . . . . . . . . 5483 1 369 . 1 1 34 34 HIS HD2 H 1 6.351 0.02 . 1 . . . . . . . . 5483 1 370 . 1 1 34 34 HIS NE2 N 15 176.8 0.2 . 1 . . . . . . . . 5483 1 371 . 1 1 34 34 HIS HE1 H 1 6.349 0.02 . 1 . . . . . . . . 5483 1 372 . 1 1 34 34 HIS HE2 H 1 14.620 0.02 . 1 . . . . . . . . 5483 1 373 . 1 1 34 34 HIS C C 13 177.1 0.2 . 1 . . . . . . . . 5483 1 374 . 1 1 35 35 ASN N N 15 114.2 0.2 . 1 . . . . . . . . 5483 1 375 . 1 1 35 35 ASN H H 1 8.023 0.02 . 1 . . . . . . . . 5483 1 376 . 1 1 35 35 ASN CA C 13 52.4 0.2 . 1 . . . . . . . . 5483 1 377 . 1 1 35 35 ASN HA H 1 5.854 0.02 . 1 . . . . . . . . 5483 1 378 . 1 1 35 35 ASN HB2 H 1 2.854 0.02 . 1 . . . . . . . . 5483 1 379 . 1 1 35 35 ASN HB3 H 1 3.186 0.02 . 1 . . . . . . . . 5483 1 380 . 1 1 35 35 ASN HD21 H 1 9.359 0.02 . 1 . . . . . . . . 5483 1 381 . 1 1 35 35 ASN HD22 H 1 6.706 0.02 . 1 . . . . . . . . 5483 1 382 . 1 1 35 35 ASN C C 13 176.5 0.2 . 1 . . . . . . . . 5483 1 383 . 1 1 36 36 ILE N N 15 113.1 0.2 . 1 . . . . . . . . 5483 1 384 . 1 1 36 36 ILE H H 1 7.573 0.02 . 1 . . . . . . . . 5483 1 385 . 1 1 36 36 ILE CA C 13 64.1 0.2 . 1 . . . . . . . . 5483 1 386 . 1 1 36 36 ILE HA H 1 4.645 0.02 . 1 . . . . . . . . 5483 1 387 . 1 1 36 36 ILE HB H 1 2.214 0.02 . 1 . . . . . . . . 5483 1 388 . 1 1 36 36 ILE HG21 H 1 0.538 0.02 . 1 . . . . . . . . 5483 1 389 . 1 1 36 36 ILE HG22 H 1 0.538 0.02 . 1 . . . . . . . . 5483 1 390 . 1 1 36 36 ILE HG23 H 1 0.538 0.02 . 1 . . . . . . . . 5483 1 391 . 1 1 36 36 ILE CG2 C 13 15.9 0.2 . 1 . . . . . . . . 5483 1 392 . 1 1 36 36 ILE HG12 H 1 1.086 0.02 . 2 . . . . . . . . 5483 1 393 . 1 1 36 36 ILE HG13 H 1 1.618 0.02 . 2 . . . . . . . . 5483 1 394 . 1 1 36 36 ILE HD11 H 1 0.743 0.02 . 1 . . . . . . . . 5483 1 395 . 1 1 36 36 ILE HD12 H 1 0.743 0.02 . 1 . . . . . . . . 5483 1 396 . 1 1 36 36 ILE HD13 H 1 0.743 0.02 . 1 . . . . . . . . 5483 1 397 . 1 1 36 36 ILE CD1 C 13 14.7 0.2 . 1 . . . . . . . . 5483 1 398 . 1 1 36 36 ILE C C 13 172.8 0.2 . 1 . . . . . . . . 5483 1 399 . 1 1 37 37 SER N N 15 115.5 0.2 . 1 . . . . . . . . 5483 1 400 . 1 1 37 37 SER H H 1 7.141 0.02 . 1 . . . . . . . . 5483 1 401 . 1 1 37 37 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 5483 1 402 . 1 1 37 37 SER HA H 1 4.812 0.02 . 1 . . . . . . . . 5483 1 403 . 1 1 37 37 SER HB2 H 1 4.153 0.02 . 1 . . . . . . . . 5483 1 404 . 1 1 37 37 SER HB3 H 1 4.262 0.02 . 1 . . . . . . . . 5483 1 405 . 1 1 37 37 SER C C 13 172.1 0.2 . 1 . . . . . . . . 5483 1 406 . 1 1 38 38 LEU N N 15 123.0 0.2 . 1 . . . . . . . . 5483 1 407 . 1 1 38 38 LEU H H 1 8.510 0.02 . 1 . . . . . . . . 5483 1 408 . 1 1 38 38 LEU CA C 13 51.7 0.2 . 1 . . . . . . . . 5483 1 409 . 1 1 38 38 LEU HA H 1 4.363 0.02 . 1 . . . . . . . . 5483 1 410 . 1 1 38 38 LEU HB2 H 1 1.097 0.02 . 1 . . . . . . . . 5483 1 411 . 1 1 38 38 LEU HB3 H 1 1.628 0.02 . 1 . . . . . . . . 5483 1 412 . 1 1 38 38 LEU HG H 1 1.307 0.02 . 1 . . . . . . . . 5483 1 413 . 1 1 38 38 LEU HD11 H 1 0.517 0.02 . 1 . . . . . . . . 5483 1 414 . 1 1 38 38 LEU HD12 H 1 0.517 0.02 . 1 . . . . . . . . 5483 1 415 . 1 1 38 38 LEU HD13 H 1 0.517 0.02 . 1 . . . . . . . . 5483 1 416 . 1 1 38 38 LEU HD21 H 1 0.991 0.02 . 1 . . . . . . . . 5483 1 417 . 1 1 38 38 LEU HD22 H 1 0.991 0.02 . 1 . . . . . . . . 5483 1 418 . 1 1 38 38 LEU HD23 H 1 0.991 0.02 . 1 . . . . . . . . 5483 1 419 . 1 1 38 38 LEU CD1 C 13 26.7 0.2 . 1 . . . . . . . . 5483 1 420 . 1 1 38 38 LEU CD2 C 13 24.5 0.2 . 1 . . . . . . . . 5483 1 421 . 1 1 40 40 PRO CA C 13 64.3 0.2 . 1 . . . . . . . . 5483 1 422 . 1 1 40 40 PRO HA H 1 4.025 0.02 . 1 . . . . . . . . 5483 1 423 . 1 1 40 40 PRO HB2 H 1 1.910 0.02 . 2 . . . . . . . . 5483 1 424 . 1 1 40 40 PRO HB3 H 1 2.032 0.02 . 2 . . . . . . . . 5483 1 425 . 1 1 40 40 PRO HG2 H 1 1.954 0.02 . 1 . . . . . . . . 5483 1 426 . 1 1 40 40 PRO HG3 H 1 1.954 0.02 . 1 . . . . . . . . 5483 1 427 . 1 1 40 40 PRO C C 13 178.3 0.2 . 1 . . . . . . . . 5483 1 428 . 1 1 41 41 GLY N N 15 111.1 0.2 . 1 . . . . . . . . 5483 1 429 . 1 1 41 41 GLY H H 1 9.003 0.02 . 1 . . . . . . . . 5483 1 430 . 1 1 41 41 GLY CA C 13 45.0 0.2 . 1 . . . . . . . . 5483 1 431 . 1 1 41 41 GLY HA2 H 1 2.908 0.02 . 1 . . . . . . . . 5483 1 432 . 1 1 41 41 GLY HA3 H 1 3.918 0.02 . 1 . . . . . . . . 5483 1 433 . 1 1 41 41 GLY C C 13 172.0 0.2 . 1 . . . . . . . . 5483 1 434 . 1 1 42 42 GLU N N 15 120.4 0.2 . 1 . . . . . . . . 5483 1 435 . 1 1 42 42 GLU H H 1 7.896 0.02 . 1 . . . . . . . . 5483 1 436 . 1 1 42 42 GLU CA C 13 54.8 0.2 . 1 . . . . . . . . 5483 1 437 . 1 1 42 42 GLU HA H 1 3.963 0.02 . 1 . . . . . . . . 5483 1 438 . 1 1 42 42 GLU CB C 13 32.5 0.2 . 1 . . . . . . . . 5483 1 439 . 1 1 42 42 GLU HB2 H 1 1.587 0.02 . 1 . . . . . . . . 5483 1 440 . 1 1 42 42 GLU HB3 H 1 1.877 0.02 . 1 . . . . . . . . 5483 1 441 . 1 1 42 42 GLU HG2 H 1 1.602 0.02 . 2 . . . . . . . . 5483 1 442 . 1 1 42 42 GLU HG3 H 1 1.841 0.02 . 2 . . . . . . . . 5483 1 443 . 1 1 42 42 GLU C C 13 174.4 0.2 . 1 . . . . . . . . 5483 1 444 . 1 1 43 43 PHE N N 15 119.5 0.2 . 1 . . . . . . . . 5483 1 445 . 1 1 43 43 PHE H H 1 8.311 0.02 . 1 . . . . . . . . 5483 1 446 . 1 1 43 43 PHE CA C 13 53.4 0.2 . 1 . . . . . . . . 5483 1 447 . 1 1 43 43 PHE HA H 1 5.298 0.02 . 1 . . . . . . . . 5483 1 448 . 1 1 43 43 PHE HB2 H 1 2.881 0.02 . 1 . . . . . . . . 5483 1 449 . 1 1 43 43 PHE HB3 H 1 3.086 0.02 . 1 . . . . . . . . 5483 1 450 . 1 1 43 43 PHE CD1 C 13 131.4 0.2 . 1 . . . . . . . . 5483 1 451 . 1 1 43 43 PHE HD1 H 1 7.169 0.02 . 1 . . . . . . . . 5483 1 452 . 1 1 43 43 PHE CE1 C 13 130.5 0.2 . 1 . . . . . . . . 5483 1 453 . 1 1 43 43 PHE HE1 H 1 6.962 0.02 . 1 . . . . . . . . 5483 1 454 . 1 1 43 43 PHE CZ C 13 128.6 0.2 . 1 . . . . . . . . 5483 1 455 . 1 1 43 43 PHE HZ H 1 6.951 0.02 . 1 . . . . . . . . 5483 1 456 . 1 1 43 43 PHE CE2 C 13 130.5 0.2 . 1 . . . . . . . . 5483 1 457 . 1 1 43 43 PHE HE2 H 1 6.962 0.02 . 1 . . . . . . . . 5483 1 458 . 1 1 43 43 PHE CD2 C 13 131.4 0.2 . 1 . . . . . . . . 5483 1 459 . 1 1 43 43 PHE HD2 H 1 7.169 0.02 . 1 . . . . . . . . 5483 1 460 . 1 1 43 43 PHE C C 13 177.3 0.2 . 1 . . . . . . . . 5483 1 461 . 1 1 44 44 GLY N N 15 107.7 0.2 . 1 . . . . . . . . 5483 1 462 . 1 1 44 44 GLY H H 1 8.779 0.02 . 1 . . . . . . . . 5483 1 463 . 1 1 44 44 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 5483 1 464 . 1 1 44 44 GLY HA2 H 1 3.770 0.02 . 1 . . . . . . . . 5483 1 465 . 1 1 44 44 GLY HA3 H 1 4.488 0.02 . 1 . . . . . . . . 5483 1 466 . 1 1 44 44 GLY C C 13 176.1 0.2 . 1 . . . . . . . . 5483 1 467 . 1 1 45 45 GLY N N 15 108.3 0.2 . 1 . . . . . . . . 5483 1 468 . 1 1 45 45 GLY H H 1 8.946 0.02 . 1 . . . . . . . . 5483 1 469 . 1 1 45 45 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 5483 1 470 . 1 1 45 45 GLY HA2 H 1 3.932 0.02 . 1 . . . . . . . . 5483 1 471 . 1 1 45 45 GLY HA3 H 1 4.227 0.02 . 1 . . . . . . . . 5483 1 472 . 1 1 45 45 GLY C C 13 174.6 0.2 . 1 . . . . . . . . 5483 1 473 . 1 1 46 46 PRO CA C 13 61.1 0.2 . 1 . . . . . . . . 5483 1 474 . 1 1 46 46 PRO HA H 1 4.755 0.02 . 1 . . . . . . . . 5483 1 475 . 1 1 46 46 PRO HB2 H 1 1.679 0.02 . 2 . . . . . . . . 5483 1 476 . 1 1 46 46 PRO HB3 H 1 1.796 0.02 . 2 . . . . . . . . 5483 1 477 . 1 1 46 46 PRO HG2 H 1 -0.203 0.02 . 2 . . . . . . . . 5483 1 478 . 1 1 46 46 PRO HG3 H 1 1.311 0.02 . 2 . . . . . . . . 5483 1 479 . 1 1 46 46 PRO HD2 H 1 2.118 0.02 . 2 . . . . . . . . 5483 1 480 . 1 1 46 46 PRO HD3 H 1 3.135 0.02 . 2 . . . . . . . . 5483 1 481 . 1 1 46 46 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 5483 1 482 . 1 1 47 47 TRP N N 15 121.3 0.2 . 1 . . . . . . . . 5483 1 483 . 1 1 47 47 TRP H H 1 6.769 0.02 . 1 . . . . . . . . 5483 1 484 . 1 1 47 47 TRP CA C 13 58.3 0.2 . 1 . . . . . . . . 5483 1 485 . 1 1 47 47 TRP HA H 1 4.238 0.02 . 1 . . . . . . . . 5483 1 486 . 1 1 47 47 TRP HB2 H 1 2.820 0.02 . 1 . . . . . . . . 5483 1 487 . 1 1 47 47 TRP HB3 H 1 2.977 0.02 . 1 . . . . . . . . 5483 1 488 . 1 1 47 47 TRP CD1 C 13 128.1 0.2 . 1 . . . . . . . . 5483 1 489 . 1 1 47 47 TRP CE3 C 13 120.6 0.2 . 1 . . . . . . . . 5483 1 490 . 1 1 47 47 TRP NE1 N 15 129.2 0.2 . 1 . . . . . . . . 5483 1 491 . 1 1 47 47 TRP HD1 H 1 7.588 0.02 . 1 . . . . . . . . 5483 1 492 . 1 1 47 47 TRP HE3 H 1 7.266 0.02 . 1 . . . . . . . . 5483 1 493 . 1 1 47 47 TRP CZ3 C 13 122.1 0.2 . 1 . . . . . . . . 5483 1 494 . 1 1 47 47 TRP CZ2 C 13 115.3 0.2 . 1 . . . . . . . . 5483 1 495 . 1 1 47 47 TRP HE1 H 1 10.727 0.02 . 1 . . . . . . . . 5483 1 496 . 1 1 47 47 TRP HZ3 H 1 7.209 0.02 . 1 . . . . . . . . 5483 1 497 . 1 1 47 47 TRP CH2 C 13 125.8 0.2 . 1 . . . . . . . . 5483 1 498 . 1 1 47 47 TRP HZ2 H 1 7.640 0.02 . 1 . . . . . . . . 5483 1 499 . 1 1 47 47 TRP HH2 H 1 7.343 0.02 . 1 . . . . . . . . 5483 1 500 . 1 1 47 47 TRP C C 13 176.5 0.2 . 1 . . . . . . . . 5483 1 501 . 1 1 48 48 ILE N N 15 121.6 0.2 . 1 . . . . . . . . 5483 1 502 . 1 1 48 48 ILE H H 1 7.643 0.02 . 1 . . . . . . . . 5483 1 503 . 1 1 48 48 ILE CA C 13 65.9 0.2 . 1 . . . . . . . . 5483 1 504 . 1 1 48 48 ILE HA H 1 3.110 0.02 . 1 . . . . . . . . 5483 1 505 . 1 1 48 48 ILE HB H 1 1.620 0.02 . 1 . . . . . . . . 5483 1 506 . 1 1 48 48 ILE HG21 H 1 0.306 0.02 . 1 . . . . . . . . 5483 1 507 . 1 1 48 48 ILE HG22 H 1 0.306 0.02 . 1 . . . . . . . . 5483 1 508 . 1 1 48 48 ILE HG23 H 1 0.306 0.02 . 1 . . . . . . . . 5483 1 509 . 1 1 48 48 ILE CG2 C 13 19.1 0.2 . 1 . . . . . . . . 5483 1 510 . 1 1 48 48 ILE HG12 H 1 0.491 0.02 . 2 . . . . . . . . 5483 1 511 . 1 1 48 48 ILE HG13 H 1 1.742 0.02 . 2 . . . . . . . . 5483 1 512 . 1 1 48 48 ILE HD11 H 1 0.853 0.02 . 1 . . . . . . . . 5483 1 513 . 1 1 48 48 ILE HD12 H 1 0.853 0.02 . 1 . . . . . . . . 5483 1 514 . 1 1 48 48 ILE HD13 H 1 0.853 0.02 . 1 . . . . . . . . 5483 1 515 . 1 1 48 48 ILE CD1 C 13 15.4 0.2 . 1 . . . . . . . . 5483 1 516 . 1 1 48 48 ILE C C 13 176.9 0.2 . 1 . . . . . . . . 5483 1 517 . 1 1 49 49 ASP N N 15 118.6 0.2 . 1 . . . . . . . . 5483 1 518 . 1 1 49 49 ASP H H 1 7.791 0.02 . 1 . . . . . . . . 5483 1 519 . 1 1 49 49 ASP CA C 13 57.4 0.2 . 1 . . . . . . . . 5483 1 520 . 1 1 49 49 ASP HA H 1 4.168 0.02 . 1 . . . . . . . . 5483 1 521 . 1 1 49 49 ASP CB C 13 40.3 0.2 . 1 . . . . . . . . 5483 1 522 . 1 1 49 49 ASP HB2 H 1 2.607 0.02 . 1 . . . . . . . . 5483 1 523 . 1 1 49 49 ASP HB3 H 1 2.607 0.02 . 1 . . . . . . . . 5483 1 524 . 1 1 49 49 ASP C C 13 179.1 0.2 . 1 . . . . . . . . 5483 1 525 . 1 1 50 50 ALA N N 15 120.1 0.2 . 1 . . . . . . . . 5483 1 526 . 1 1 50 50 ALA H H 1 7.208 0.02 . 1 . . . . . . . . 5483 1 527 . 1 1 50 50 ALA CA C 13 54.3 0.2 . 1 . . . . . . . . 5483 1 528 . 1 1 50 50 ALA HA H 1 3.843 0.02 . 1 . . . . . . . . 5483 1 529 . 1 1 50 50 ALA HB1 H 1 1.282 0.02 . 1 . . . . . . . . 5483 1 530 . 1 1 50 50 ALA HB2 H 1 1.282 0.02 . 1 . . . . . . . . 5483 1 531 . 1 1 50 50 ALA HB3 H 1 1.282 0.02 . 1 . . . . . . . . 5483 1 532 . 1 1 50 50 ALA CB C 13 17.8 0.2 . 1 . . . . . . . . 5483 1 533 . 1 1 50 50 ALA C C 13 179.4 0.2 . 1 . . . . . . . . 5483 1 534 . 1 1 51 51 LEU N N 15 121.0 0.2 . 1 . . . . . . . . 5483 1 535 . 1 1 51 51 LEU H H 1 8.432 0.02 . 1 . . . . . . . . 5483 1 536 . 1 1 51 51 LEU CA C 13 54.3 0.2 . 1 . . . . . . . . 5483 1 537 . 1 1 51 51 LEU HA H 1 4.005 0.02 . 1 . . . . . . . . 5483 1 538 . 1 1 51 51 LEU HB2 H 1 1.129 0.02 . 1 . . . . . . . . 5483 1 539 . 1 1 51 51 LEU HB3 H 1 1.641 0.02 . 1 . . . . . . . . 5483 1 540 . 1 1 51 51 LEU HG H 1 1.302 0.02 . 1 . . . . . . . . 5483 1 541 . 1 1 51 51 LEU HD11 H 1 0.697 0.02 . 1 . . . . . . . . 5483 1 542 . 1 1 51 51 LEU HD12 H 1 0.697 0.02 . 1 . . . . . . . . 5483 1 543 . 1 1 51 51 LEU HD13 H 1 0.697 0.02 . 1 . . . . . . . . 5483 1 544 . 1 1 51 51 LEU HD21 H 1 0.875 0.02 . 1 . . . . . . . . 5483 1 545 . 1 1 51 51 LEU HD22 H 1 0.875 0.02 . 1 . . . . . . . . 5483 1 546 . 1 1 51 51 LEU HD23 H 1 0.875 0.02 . 1 . . . . . . . . 5483 1 547 . 1 1 51 51 LEU CD1 C 13 24.8 0.2 . 1 . . . . . . . . 5483 1 548 . 1 1 51 51 LEU CD2 C 13 26.5 0.2 . 1 . . . . . . . . 5483 1 549 . 1 1 51 51 LEU C C 13 181.1 0.2 . 1 . . . . . . . . 5483 1 550 . 1 1 52 52 PHE N N 15 116.3 0.2 . 1 . . . . . . . . 5483 1 551 . 1 1 52 52 PHE H H 1 8.120 0.02 . 1 . . . . . . . . 5483 1 552 . 1 1 52 52 PHE CA C 13 56.1 0.2 . 1 . . . . . . . . 5483 1 553 . 1 1 52 52 PHE HA H 1 5.029 0.02 . 1 . . . . . . . . 5483 1 554 . 1 1 52 52 PHE CB C 13 37.8 0.2 . 1 . . . . . . . . 5483 1 555 . 1 1 52 52 PHE HB2 H 1 2.570 0.02 . 1 . . . . . . . . 5483 1 556 . 1 1 52 52 PHE HB3 H 1 2.612 0.02 . 1 . . . . . . . . 5483 1 557 . 1 1 52 52 PHE CD1 C 13 129.5 0.2 . 1 . . . . . . . . 5483 1 558 . 1 1 52 52 PHE HD1 H 1 6.061 0.02 . 1 . . . . . . . . 5483 1 559 . 1 1 52 52 PHE CE1 C 13 130.1 0.2 . 1 . . . . . . . . 5483 1 560 . 1 1 52 52 PHE HE1 H 1 6.711 0.02 . 1 . . . . . . . . 5483 1 561 . 1 1 52 52 PHE CZ C 13 129.3 0.2 . 1 . . . . . . . . 5483 1 562 . 1 1 52 52 PHE HZ H 1 6.809 0.02 . 1 . . . . . . . . 5483 1 563 . 1 1 52 52 PHE CE2 C 13 130.1 0.2 . 1 . . . . . . . . 5483 1 564 . 1 1 52 52 PHE HE2 H 1 6.711 0.02 . 1 . . . . . . . . 5483 1 565 . 1 1 52 52 PHE CD2 C 13 129.5 0.2 . 1 . . . . . . . . 5483 1 566 . 1 1 52 52 PHE HD2 H 1 6.061 0.02 . 1 . . . . . . . . 5483 1 567 . 1 1 52 52 PHE C C 13 177.4 0.2 . 1 . . . . . . . . 5483 1 568 . 1 1 53 53 THR N N 15 107.8 0.2 . 1 . . . . . . . . 5483 1 569 . 1 1 53 53 THR H H 1 7.902 0.02 . 1 . . . . . . . . 5483 1 570 . 1 1 53 53 THR CA C 13 61.8 0.2 . 1 . . . . . . . . 5483 1 571 . 1 1 53 53 THR HA H 1 4.198 0.02 . 1 . . . . . . . . 5483 1 572 . 1 1 53 53 THR HB H 1 4.523 0.02 . 1 . . . . . . . . 5483 1 573 . 1 1 53 53 THR HG21 H 1 1.240 0.02 . 1 . . . . . . . . 5483 1 574 . 1 1 53 53 THR HG22 H 1 1.240 0.02 . 1 . . . . . . . . 5483 1 575 . 1 1 53 53 THR HG23 H 1 1.240 0.02 . 1 . . . . . . . . 5483 1 576 . 1 1 53 53 THR HG1 H 1 4.926 0.02 . 1 . . . . . . . . 5483 1 577 . 1 1 53 53 THR CG2 C 13 22.2 0.2 . 1 . . . . . . . . 5483 1 578 . 1 1 53 53 THR C C 13 174.4 0.2 . 1 . . . . . . . . 5483 1 579 . 1 1 54 54 GLY N N 15 110.1 0.2 . 1 . . . . . . . . 5483 1 580 . 1 1 54 54 GLY H H 1 7.845 0.02 . 1 . . . . . . . . 5483 1 581 . 1 1 54 54 GLY CA C 13 47.1 0.2 . 1 . . . . . . . . 5483 1 582 . 1 1 54 54 GLY HA2 H 1 4.218 0.02 . 1 . . . . . . . . 5483 1 583 . 1 1 54 54 GLY HA3 H 1 4.450 0.02 . 1 . . . . . . . . 5483 1 584 . 1 1 54 54 GLY C C 13 176.0 0.2 . 1 . . . . . . . . 5483 1 585 . 1 1 55 55 THR N N 15 107.5 0.2 . 1 . . . . . . . . 5483 1 586 . 1 1 55 55 THR H H 1 8.587 0.02 . 1 . . . . . . . . 5483 1 587 . 1 1 55 55 THR CA C 13 60.3 0.2 . 1 . . . . . . . . 5483 1 588 . 1 1 55 55 THR HA H 1 4.584 0.02 . 1 . . . . . . . . 5483 1 589 . 1 1 55 55 THR HB H 1 4.499 0.02 . 1 . . . . . . . . 5483 1 590 . 1 1 55 55 THR HG21 H 1 1.065 0.02 . 1 . . . . . . . . 5483 1 591 . 1 1 55 55 THR HG22 H 1 1.065 0.02 . 1 . . . . . . . . 5483 1 592 . 1 1 55 55 THR HG23 H 1 1.065 0.02 . 1 . . . . . . . . 5483 1 593 . 1 1 55 55 THR CG2 C 13 21.2 0.2 . 1 . . . . . . . . 5483 1 594 . 1 1 55 55 THR C C 13 175.1 0.2 . 1 . . . . . . . . 5483 1 595 . 1 1 56 56 ILE N N 15 123.9 0.2 . 1 . . . . . . . . 5483 1 596 . 1 1 56 56 ILE H H 1 7.588 0.02 . 1 . . . . . . . . 5483 1 597 . 1 1 56 56 ILE CA C 13 61.9 0.2 . 1 . . . . . . . . 5483 1 598 . 1 1 56 56 ILE HA H 1 3.848 0.02 . 1 . . . . . . . . 5483 1 599 . 1 1 56 56 ILE CB C 13 38.5 0.2 . 1 . . . . . . . . 5483 1 600 . 1 1 56 56 ILE HB H 1 1.394 0.02 . 1 . . . . . . . . 5483 1 601 . 1 1 56 56 ILE HG21 H 1 0.679 0.02 . 1 . . . . . . . . 5483 1 602 . 1 1 56 56 ILE HG22 H 1 0.679 0.02 . 1 . . . . . . . . 5483 1 603 . 1 1 56 56 ILE HG23 H 1 0.679 0.02 . 1 . . . . . . . . 5483 1 604 . 1 1 56 56 ILE CG2 C 13 16.7 0.2 . 1 . . . . . . . . 5483 1 605 . 1 1 56 56 ILE HG12 H 1 0.765 0.02 . 2 . . . . . . . . 5483 1 606 . 1 1 56 56 ILE HG13 H 1 1.193 0.02 . 2 . . . . . . . . 5483 1 607 . 1 1 56 56 ILE HD11 H 1 0.089 0.02 . 1 . . . . . . . . 5483 1 608 . 1 1 56 56 ILE HD12 H 1 0.089 0.02 . 1 . . . . . . . . 5483 1 609 . 1 1 56 56 ILE HD13 H 1 0.089 0.02 . 1 . . . . . . . . 5483 1 610 . 1 1 56 56 ILE CD1 C 13 12.9 0.2 . 1 . . . . . . . . 5483 1 611 . 1 1 56 56 ILE C C 13 173.0 0.2 . 1 . . . . . . . . 5483 1 612 . 1 1 57 57 ASP N N 15 126.9 0.2 . 1 . . . . . . . . 5483 1 613 . 1 1 57 57 ASP H H 1 7.621 0.02 . 1 . . . . . . . . 5483 1 614 . 1 1 57 57 ASP CA C 13 50.3 0.2 . 1 . . . . . . . . 5483 1 615 . 1 1 57 57 ASP HA H 1 4.999 0.02 . 1 . . . . . . . . 5483 1 616 . 1 1 57 57 ASP HB2 H 1 2.829 0.02 . 1 . . . . . . . . 5483 1 617 . 1 1 57 57 ASP HB3 H 1 3.016 0.02 . 1 . . . . . . . . 5483 1 618 . 1 1 57 57 ASP C C 13 176.0 0.2 . 1 . . . . . . . . 5483 1 619 . 1 1 58 58 PRO CA C 13 64.0 0.2 . 1 . . . . . . . . 5483 1 620 . 1 1 58 58 PRO HA H 1 4.028 0.02 . 1 . . . . . . . . 5483 1 621 . 1 1 58 58 PRO CB C 13 34.1 0.2 . 1 . . . . . . . . 5483 1 622 . 1 1 58 58 PRO HB2 H 1 2.089 0.02 . 2 . . . . . . . . 5483 1 623 . 1 1 58 58 PRO HB3 H 1 2.074 0.02 . 2 . . . . . . . . 5483 1 624 . 1 1 58 58 PRO HG2 H 1 1.962 0.02 . 1 . . . . . . . . 5483 1 625 . 1 1 58 58 PRO HG3 H 1 1.962 0.02 . 1 . . . . . . . . 5483 1 626 . 1 1 58 58 PRO HD2 H 1 4.008 0.02 . 2 . . . . . . . . 5483 1 627 . 1 1 58 58 PRO HD3 H 1 4.113 0.02 . 2 . . . . . . . . 5483 1 628 . 1 1 58 58 PRO C C 13 175.7 0.2 . 1 . . . . . . . . 5483 1 629 . 1 1 59 59 ASN N N 15 111.3 0.2 . 1 . . . . . . . . 5483 1 630 . 1 1 59 59 ASN H H 1 8.098 0.02 . 1 . . . . . . . . 5483 1 631 . 1 1 59 59 ASN CA C 13 53.6 0.2 . 1 . . . . . . . . 5483 1 632 . 1 1 59 59 ASN HA H 1 4.540 0.02 . 1 . . . . . . . . 5483 1 633 . 1 1 59 59 ASN CB C 13 40.1 0.2 . 1 . . . . . . . . 5483 1 634 . 1 1 59 59 ASN HB2 H 1 2.755 0.02 . 1 . . . . . . . . 5483 1 635 . 1 1 59 59 ASN HB3 H 1 2.755 0.02 . 1 . . . . . . . . 5483 1 636 . 1 1 59 59 ASN ND2 N 15 114.8 0.2 . 1 . . . . . . . . 5483 1 637 . 1 1 59 59 ASN HD21 H 1 6.945 0.02 . 1 . . . . . . . . 5483 1 638 . 1 1 59 59 ASN HD22 H 1 7.879 0.02 . 1 . . . . . . . . 5483 1 639 . 1 1 59 59 ASN C C 13 176.7 0.2 . 1 . . . . . . . . 5483 1 640 . 1 1 60 60 ALA N N 15 121.7 0.2 . 1 . . . . . . . . 5483 1 641 . 1 1 60 60 ALA H H 1 7.612 0.02 . 1 . . . . . . . . 5483 1 642 . 1 1 60 60 ALA CA C 13 54.0 0.2 . 1 . . . . . . . . 5483 1 643 . 1 1 60 60 ALA HA H 1 4.040 0.02 . 1 . . . . . . . . 5483 1 644 . 1 1 60 60 ALA HB1 H 1 1.424 0.02 . 1 . . . . . . . . 5483 1 645 . 1 1 60 60 ALA HB2 H 1 1.424 0.02 . 1 . . . . . . . . 5483 1 646 . 1 1 60 60 ALA HB3 H 1 1.424 0.02 . 1 . . . . . . . . 5483 1 647 . 1 1 60 60 ALA CB C 13 18.1 0.2 . 1 . . . . . . . . 5483 1 648 . 1 1 60 60 ALA C C 13 176.6 0.2 . 1 . . . . . . . . 5483 1 649 . 1 1 61 61 HIS N N 15 115.8 0.2 . 1 . . . . . . . . 5483 1 650 . 1 1 61 61 HIS H H 1 6.686 0.02 . 1 . . . . . . . . 5483 1 651 . 1 1 61 61 HIS CA C 13 56.0 0.2 . 1 . . . . . . . . 5483 1 652 . 1 1 61 61 HIS HA H 1 4.199 0.02 . 1 . . . . . . . . 5483 1 653 . 1 1 61 61 HIS HB2 H 1 0.529 0.02 . 1 . . . . . . . . 5483 1 654 . 1 1 61 61 HIS HB3 H 1 2.059 0.02 . 1 . . . . . . . . 5483 1 655 . 1 1 61 61 HIS ND1 N 15 250.2 0.2 . 1 . . . . . . . . 5483 1 656 . 1 1 61 61 HIS HD2 H 1 6.862 0.02 . 1 . . . . . . . . 5483 1 657 . 1 1 61 61 HIS NE2 N 15 166.2 0.2 . 1 . . . . . . . . 5483 1 658 . 1 1 61 61 HIS HE1 H 1 7.726 0.02 . 1 . . . . . . . . 5483 1 659 . 1 1 61 61 HIS C C 13 173.9 0.2 . 1 . . . . . . . . 5483 1 660 . 1 1 62 62 PRO CA C 13 61.9 0.2 . 1 . . . . . . . . 5483 1 661 . 1 1 62 62 PRO HA H 1 4.308 0.02 . 1 . . . . . . . . 5483 1 662 . 1 1 62 62 PRO HB2 H 1 1.695 0.02 . 2 . . . . . . . . 5483 1 663 . 1 1 62 62 PRO HB3 H 1 2.235 0.02 . 2 . . . . . . . . 5483 1 664 . 1 1 62 62 PRO HG2 H 1 1.693 0.02 . 2 . . . . . . . . 5483 1 665 . 1 1 62 62 PRO HG3 H 1 1.791 0.02 . 2 . . . . . . . . 5483 1 666 . 1 1 62 62 PRO HD2 H 1 1.892 0.02 . 2 . . . . . . . . 5483 1 667 . 1 1 62 62 PRO HD3 H 1 3.199 0.02 . 2 . . . . . . . . 5483 1 668 . 1 1 62 62 PRO C C 13 178.8 0.2 . 1 . . . . . . . . 5483 1 669 . 1 1 63 63 TYR N N 15 122.3 0.2 . 1 . . . . . . . . 5483 1 670 . 1 1 63 63 TYR H H 1 11.033 0.02 . 1 . . . . . . . . 5483 1 671 . 1 1 63 63 TYR CA C 13 61.1 0.2 . 1 . . . . . . . . 5483 1 672 . 1 1 63 63 TYR HA H 1 4.216 0.02 . 1 . . . . . . . . 5483 1 673 . 1 1 63 63 TYR CB C 13 40.0 0.2 . 1 . . . . . . . . 5483 1 674 . 1 1 63 63 TYR HB2 H 1 2.696 0.02 . 1 . . . . . . . . 5483 1 675 . 1 1 63 63 TYR HB3 H 1 3.391 0.02 . 1 . . . . . . . . 5483 1 676 . 1 1 63 63 TYR CD1 C 13 133.0 0.2 . 1 . . . . . . . . 5483 1 677 . 1 1 63 63 TYR HD1 H 1 6.941 0.02 . 1 . . . . . . . . 5483 1 678 . 1 1 63 63 TYR CE1 C 13 118.5 0.2 . 1 . . . . . . . . 5483 1 679 . 1 1 63 63 TYR HE1 H 1 6.786 0.02 . 1 . . . . . . . . 5483 1 680 . 1 1 63 63 TYR CE2 C 13 118.5 0.2 . 1 . . . . . . . . 5483 1 681 . 1 1 63 63 TYR HE2 H 1 6.786 0.02 . 1 . . . . . . . . 5483 1 682 . 1 1 63 63 TYR CD2 C 13 133.0 0.2 . 1 . . . . . . . . 5483 1 683 . 1 1 63 63 TYR HD2 H 1 6.941 0.02 . 1 . . . . . . . . 5483 1 684 . 1 1 63 63 TYR C C 13 178.0 0.2 . 1 . . . . . . . . 5483 1 685 . 1 1 64 64 PHE N N 15 114.4 0.2 . 1 . . . . . . . . 5483 1 686 . 1 1 64 64 PHE H H 1 7.884 0.02 . 1 . . . . . . . . 5483 1 687 . 1 1 64 64 PHE CA C 13 55.4 0.2 . 1 . . . . . . . . 5483 1 688 . 1 1 64 64 PHE HA H 1 4.485 0.02 . 1 . . . . . . . . 5483 1 689 . 1 1 64 64 PHE CB C 13 37.1 0.2 . 1 . . . . . . . . 5483 1 690 . 1 1 64 64 PHE HB2 H 1 3.060 0.02 . 1 . . . . . . . . 5483 1 691 . 1 1 64 64 PHE HB3 H 1 3.488 0.02 . 1 . . . . . . . . 5483 1 692 . 1 1 64 64 PHE CD1 C 13 129.9 0.2 . 1 . . . . . . . . 5483 1 693 . 1 1 64 64 PHE HD1 H 1 7.101 0.02 . 1 . . . . . . . . 5483 1 694 . 1 1 64 64 PHE CE1 C 13 130.5 0.2 . 1 . . . . . . . . 5483 1 695 . 1 1 64 64 PHE HE1 H 1 6.019 0.02 . 1 . . . . . . . . 5483 1 696 . 1 1 64 64 PHE CZ C 13 128.52 0.2 . 1 . . . . . . . . 5483 1 697 . 1 1 64 64 PHE HZ H 1 5.673 0.02 . 1 . . . . . . . . 5483 1 698 . 1 1 64 64 PHE CE2 C 13 130.5 0.2 . 1 . . . . . . . . 5483 1 699 . 1 1 64 64 PHE HE2 H 1 6.019 0.02 . 1 . . . . . . . . 5483 1 700 . 1 1 64 64 PHE CD2 C 13 129.9 0.2 . 1 . . . . . . . . 5483 1 701 . 1 1 64 64 PHE HD2 H 1 7.101 0.02 . 1 . . . . . . . . 5483 1 702 . 1 1 64 64 PHE C C 13 177.8 0.2 . 1 . . . . . . . . 5483 1 703 . 1 1 65 65 ALA N N 15 121.7 0.2 . 1 . . . . . . . . 5483 1 704 . 1 1 65 65 ALA H H 1 7.405 0.02 . 1 . . . . . . . . 5483 1 705 . 1 1 65 65 ALA CA C 13 55.4 0.2 . 1 . . . . . . . . 5483 1 706 . 1 1 65 65 ALA HA H 1 4.004 0.02 . 1 . . . . . . . . 5483 1 707 . 1 1 65 65 ALA HB1 H 1 1.484 0.02 . 1 . . . . . . . . 5483 1 708 . 1 1 65 65 ALA HB2 H 1 1.484 0.02 . 1 . . . . . . . . 5483 1 709 . 1 1 65 65 ALA HB3 H 1 1.484 0.02 . 1 . . . . . . . . 5483 1 710 . 1 1 65 65 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 5483 1 711 . 1 1 65 65 ALA C C 13 180.1 0.2 . 1 . . . . . . . . 5483 1 712 . 1 1 66 66 GLY N N 15 101.8 0.2 . 1 . . . . . . . . 5483 1 713 . 1 1 66 66 GLY H H 1 7.705 0.02 . 1 . . . . . . . . 5483 1 714 . 1 1 66 66 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 5483 1 715 . 1 1 66 66 GLY HA2 H 1 3.913 0.02 . 1 . . . . . . . . 5483 1 716 . 1 1 66 66 GLY HA3 H 1 4.082 0.02 . 1 . . . . . . . . 5483 1 717 . 1 1 66 66 GLY C C 13 175.4 0.2 . 1 . . . . . . . . 5483 1 718 . 1 1 67 67 ILE N N 15 108.8 0.2 . 1 . . . . . . . . 5483 1 719 . 1 1 67 67 ILE H H 1 6.948 0.02 . 1 . . . . . . . . 5483 1 720 . 1 1 67 67 ILE CA C 13 60.6 0.2 . 1 . . . . . . . . 5483 1 721 . 1 1 67 67 ILE HA H 1 4.547 0.02 . 1 . . . . . . . . 5483 1 722 . 1 1 67 67 ILE HB H 1 2.157 0.02 . 1 . . . . . . . . 5483 1 723 . 1 1 67 67 ILE HG21 H 1 0.733 0.02 . 1 . . . . . . . . 5483 1 724 . 1 1 67 67 ILE HG22 H 1 0.733 0.02 . 1 . . . . . . . . 5483 1 725 . 1 1 67 67 ILE HG23 H 1 0.733 0.02 . 1 . . . . . . . . 5483 1 726 . 1 1 67 67 ILE CG2 C 13 17.4 0.2 . 1 . . . . . . . . 5483 1 727 . 1 1 67 67 ILE HG12 H 1 1.191 0.02 . 2 . . . . . . . . 5483 1 728 . 1 1 67 67 ILE HG13 H 1 1.239 0.02 . 2 . . . . . . . . 5483 1 729 . 1 1 67 67 ILE HD11 H 1 0.824 0.02 . 1 . . . . . . . . 5483 1 730 . 1 1 67 67 ILE HD12 H 1 0.824 0.02 . 1 . . . . . . . . 5483 1 731 . 1 1 67 67 ILE HD13 H 1 0.824 0.02 . 1 . . . . . . . . 5483 1 732 . 1 1 67 67 ILE CD1 C 13 15.2 0.2 . 1 . . . . . . . . 5483 1 733 . 1 1 67 67 ILE C C 13 176.6 0.2 . 1 . . . . . . . . 5483 1 734 . 1 1 68 68 ALA N N 15 123.2 0.2 . 1 . . . . . . . . 5483 1 735 . 1 1 68 68 ALA H H 1 7.218 0.02 . 1 . . . . . . . . 5483 1 736 . 1 1 68 68 ALA CA C 13 55.0 0.2 . 1 . . . . . . . . 5483 1 737 . 1 1 68 68 ALA HA H 1 3.804 0.02 . 1 . . . . . . . . 5483 1 738 . 1 1 68 68 ALA HB1 H 1 1.280 0.02 . 1 . . . . . . . . 5483 1 739 . 1 1 68 68 ALA HB2 H 1 1.280 0.02 . 1 . . . . . . . . 5483 1 740 . 1 1 68 68 ALA HB3 H 1 1.280 0.02 . 1 . . . . . . . . 5483 1 741 . 1 1 68 68 ALA CB C 13 18.5 0.2 . 1 . . . . . . . . 5483 1 742 . 1 1 68 68 ALA C C 13 176.8 0.2 . 1 . . . . . . . . 5483 1 743 . 1 1 69 69 HIS N N 15 111.5 0.2 . 1 . . . . . . . . 5483 1 744 . 1 1 69 69 HIS H H 1 8.242 0.02 . 1 . . . . . . . . 5483 1 745 . 1 1 69 69 HIS CA C 13 54.8 0.2 . 1 . . . . . . . . 5483 1 746 . 1 1 69 69 HIS HA H 1 4.722 0.02 . 1 . . . . . . . . 5483 1 747 . 1 1 69 69 HIS HB2 H 1 3.101 0.02 . 1 . . . . . . . . 5483 1 748 . 1 1 69 69 HIS HB3 H 1 3.279 0.02 . 1 . . . . . . . . 5483 1 749 . 1 1 69 69 HIS ND1 N 15 198.7 0.2 . 1 . . . . . . . . 5483 1 750 . 1 1 69 69 HIS NE2 N 15 172.8 0.2 . 1 . . . . . . . . 5483 1 751 . 1 1 69 69 HIS HD2 H 1 7.225 0.02 . 1 . . . . . . . . 5483 1 752 . 1 1 69 69 HIS HE1 H 1 8.452 0.02 . 1 . . . . . . . . 5483 1 753 . 1 1 69 69 HIS C C 13 175.0 0.2 . 1 . . . . . . . . 5483 1 754 . 1 1 70 70 LEU N N 15 120.4 0.2 . 1 . . . . . . . . 5483 1 755 . 1 1 70 70 LEU H H 1 7.228 0.02 . 1 . . . . . . . . 5483 1 756 . 1 1 70 70 LEU CA C 13 55.1 0.2 . 1 . . . . . . . . 5483 1 757 . 1 1 70 70 LEU HA H 1 4.101 0.02 . 1 . . . . . . . . 5483 1 758 . 1 1 70 70 LEU HB2 H 1 1.427 0.02 . 1 . . . . . . . . 5483 1 759 . 1 1 70 70 LEU HB3 H 1 1.795 0.02 . 1 . . . . . . . . 5483 1 760 . 1 1 70 70 LEU HG H 1 1.396 0.02 . 1 . . . . . . . . 5483 1 761 . 1 1 70 70 LEU HD11 H 1 0.936 0.02 . 1 . . . . . . . . 5483 1 762 . 1 1 70 70 LEU HD12 H 1 0.936 0.02 . 1 . . . . . . . . 5483 1 763 . 1 1 70 70 LEU HD13 H 1 0.936 0.02 . 1 . . . . . . . . 5483 1 764 . 1 1 70 70 LEU HD21 H 1 0.785 0.02 . 1 . . . . . . . . 5483 1 765 . 1 1 70 70 LEU HD22 H 1 0.785 0.02 . 1 . . . . . . . . 5483 1 766 . 1 1 70 70 LEU HD23 H 1 0.785 0.02 . 1 . . . . . . . . 5483 1 767 . 1 1 70 70 LEU CD1 C 13 22.8 0.2 . 1 . . . . . . . . 5483 1 768 . 1 1 70 70 LEU CD2 C 13 22.2 0.2 . 1 . . . . . . . . 5483 1 769 . 1 1 70 70 LEU C C 13 177.3 0.2 . 1 . . . . . . . . 5483 1 770 . 1 1 71 71 ARG N N 15 125.0 0.2 . 1 . . . . . . . . 5483 1 771 . 1 1 71 71 ARG H H 1 8.716 0.02 . 1 . . . . . . . . 5483 1 772 . 1 1 71 71 ARG CA C 13 55.1 0.2 . 1 . . . . . . . . 5483 1 773 . 1 1 71 71 ARG HA H 1 4.021 0.02 . 1 . . . . . . . . 5483 1 774 . 1 1 71 71 ARG HB2 H 1 1.617 0.02 . 1 . . . . . . . . 5483 1 775 . 1 1 71 71 ARG HB3 H 1 1.665 0.02 . 1 . . . . . . . . 5483 1 776 . 1 1 71 71 ARG HG2 H 1 1.352 0.02 . 2 . . . . . . . . 5483 1 777 . 1 1 71 71 ARG HG3 H 1 1.467 0.02 . 2 . . . . . . . . 5483 1 778 . 1 1 71 71 ARG C C 13 173.7 0.2 . 1 . . . . . . . . 5483 1 779 . 1 1 72 72 VAL N N 15 115.3 0.2 . 1 . . . . . . . . 5483 1 780 . 1 1 72 72 VAL H H 1 8.563 0.02 . 1 . . . . . . . . 5483 1 781 . 1 1 72 72 VAL CA C 13 61.8 0.2 . 1 . . . . . . . . 5483 1 782 . 1 1 72 72 VAL HA H 1 5.227 0.02 . 1 . . . . . . . . 5483 1 783 . 1 1 72 72 VAL HB H 1 2.406 0.02 . 1 . . . . . . . . 5483 1 784 . 1 1 72 72 VAL HG11 H 1 0.977 0.02 . 1 . . . . . . . . 5483 1 785 . 1 1 72 72 VAL HG12 H 1 0.977 0.02 . 1 . . . . . . . . 5483 1 786 . 1 1 72 72 VAL HG13 H 1 0.977 0.02 . 1 . . . . . . . . 5483 1 787 . 1 1 72 72 VAL HG21 H 1 0.945 0.02 . 1 . . . . . . . . 5483 1 788 . 1 1 72 72 VAL HG22 H 1 0.945 0.02 . 1 . . . . . . . . 5483 1 789 . 1 1 72 72 VAL HG23 H 1 0.945 0.02 . 1 . . . . . . . . 5483 1 790 . 1 1 72 72 VAL CG1 C 13 22.3 0.2 . 1 . . . . . . . . 5483 1 791 . 1 1 72 72 VAL CG2 C 13 18.3 0.2 . 1 . . . . . . . . 5483 1 792 . 1 1 72 72 VAL C C 13 174.9 0.2 . 1 . . . . . . . . 5483 1 793 . 1 1 73 73 SER N N 15 109.0 0.2 . 1 . . . . . . . . 5483 1 794 . 1 1 73 73 SER H H 1 7.651 0.02 . 1 . . . . . . . . 5483 1 795 . 1 1 73 73 SER CA C 13 57.6 0.2 . 1 . . . . . . . . 5483 1 796 . 1 1 73 73 SER HA H 1 3.024 0.02 . 1 . . . . . . . . 5483 1 797 . 1 1 73 73 SER HB2 H 1 3.076 0.02 . 1 . . . . . . . . 5483 1 798 . 1 1 73 73 SER HB3 H 1 3.076 0.02 . 1 . . . . . . . . 5483 1 799 . 1 1 73 73 SER HG H 1 5.830 0.02 . 1 . . . . . . . . 5483 1 800 . 1 1 73 73 SER C C 13 177.7 0.2 . 1 . . . . . . . . 5483 1 801 . 1 1 74 74 ALA N N 15 112.5 0.2 . 1 . . . . . . . . 5483 1 802 . 1 1 74 74 ALA H H 1 5.464 0.02 . 1 . . . . . . . . 5483 1 803 . 1 1 74 74 ALA CA C 13 49.5 0.2 . 1 . . . . . . . . 5483 1 804 . 1 1 74 74 ALA HA H 1 3.697 0.02 . 1 . . . . . . . . 5483 1 805 . 1 1 74 74 ALA HB1 H 1 0.845 0.02 . 1 . . . . . . . . 5483 1 806 . 1 1 74 74 ALA HB2 H 1 0.845 0.02 . 1 . . . . . . . . 5483 1 807 . 1 1 74 74 ALA HB3 H 1 0.845 0.02 . 1 . . . . . . . . 5483 1 808 . 1 1 74 74 ALA CB C 13 17.4 0.2 . 1 . . . . . . . . 5483 1 809 . 1 1 74 74 ALA C C 13 174.2 0.2 . 1 . . . . . . . . 5483 1 810 . 1 1 75 75 HIS N N 15 114.4 0.2 . 1 . . . . . . . . 5483 1 811 . 1 1 75 75 HIS H H 1 7.928 0.02 . 1 . . . . . . . . 5483 1 812 . 1 1 75 75 HIS CA C 13 64.1 0.2 . 1 . . . . . . . . 5483 1 813 . 1 1 75 75 HIS HA H 1 4.217 0.02 . 1 . . . . . . . . 5483 1 814 . 1 1 75 75 HIS CB C 13 32.6 0.2 . 1 . . . . . . . . 5483 1 815 . 1 1 75 75 HIS HB2 H 1 3.076 0.02 . 1 . . . . . . . . 5483 1 816 . 1 1 75 75 HIS HB3 H 1 3.142 0.02 . 1 . . . . . . . . 5483 1 817 . 1 1 75 75 HIS ND1 N 15 256.6 0.2 . 1 . . . . . . . . 5483 1 818 . 1 1 75 75 HIS HD2 H 1 6.767 0.02 . 1 . . . . . . . . 5483 1 819 . 1 1 75 75 HIS NE2 N 15 166.8 0.2 . 1 . . . . . . . . 5483 1 820 . 1 1 75 75 HIS HE1 H 1 8.648 0.02 . 1 . . . . . . . . 5483 1 821 . 1 1 75 75 HIS HE2 H 1 11.738 0.02 . 1 . . . . . . . . 5483 1 822 . 1 1 75 75 HIS C C 13 177.3 0.2 . 1 . . . . . . . . 5483 1 823 . 1 1 76 76 CYS N N 15 108.0 0.02 . 1 . . . . . . . . 5483 1 824 . 1 1 76 76 CYS H H 1 7.454 0.02 . 1 . . . . . . . . 5483 1 825 . 1 1 76 76 CYS CA C 13 56.3 0.2 . 1 . . . . . . . . 5483 1 826 . 1 1 76 76 CYS HA H 1 5.791 0.02 . 1 . . . . . . . . 5483 1 827 . 1 1 76 76 CYS CB C 13 34.1 0.2 . 1 . . . . . . . . 5483 1 828 . 1 1 76 76 CYS HB2 H 1 2.708 0.02 . 2 . . . . . . . . 5483 1 829 . 1 1 76 76 CYS HB3 H 1 2.912 0.02 . 2 . . . . . . . . 5483 1 830 . 1 1 76 76 CYS C C 13 171.0 0.2 . 1 . . . . . . . . 5483 1 831 . 1 1 76 76 CYS HG H 1 1.160 0.02 . 1 . . . . . . . . 5483 1 832 . 1 1 77 77 LEU N N 15 125.7 0.2 . 1 . . . . . . . . 5483 1 833 . 1 1 77 77 LEU H H 1 9.807 0.02 . 1 . . . . . . . . 5483 1 834 . 1 1 77 77 LEU CA C 13 53.6 0.2 . 1 . . . . . . . . 5483 1 835 . 1 1 77 77 LEU HA H 1 5.512 0.02 . 1 . . . . . . . . 5483 1 836 . 1 1 77 77 LEU HB2 H 1 1.631 0.02 . 1 . . . . . . . . 5483 1 837 . 1 1 77 77 LEU HB3 H 1 2.125 0.02 . 1 . . . . . . . . 5483 1 838 . 1 1 77 77 LEU HG H 1 1.413 0.02 . 1 . . . . . . . . 5483 1 839 . 1 1 77 77 LEU HD11 H 1 0.799 0.02 . 1 . . . . . . . . 5483 1 840 . 1 1 77 77 LEU HD12 H 1 0.799 0.02 . 1 . . . . . . . . 5483 1 841 . 1 1 77 77 LEU HD13 H 1 0.799 0.02 . 1 . . . . . . . . 5483 1 842 . 1 1 77 77 LEU HD21 H 1 0.909 0.02 . 1 . . . . . . . . 5483 1 843 . 1 1 77 77 LEU HD22 H 1 0.909 0.02 . 1 . . . . . . . . 5483 1 844 . 1 1 77 77 LEU HD23 H 1 0.909 0.02 . 1 . . . . . . . . 5483 1 845 . 1 1 77 77 LEU CD1 C 13 25.1 0.2 . 1 . . . . . . . . 5483 1 846 . 1 1 77 77 LEU CD2 C 13 22.1 0.2 . 1 . . . . . . . . 5483 1 847 . 1 1 77 77 LEU C C 13 174.2 0.2 . 1 . . . . . . . . 5483 1 848 . 1 1 78 78 ILE N N 15 123.3 0.2 . 1 . . . . . . . . 5483 1 849 . 1 1 78 78 ILE H H 1 8.934 0.02 . 1 . . . . . . . . 5483 1 850 . 1 1 78 78 ILE CA C 13 60.1 0.2 . 1 . . . . . . . . 5483 1 851 . 1 1 78 78 ILE HA H 1 5.041 0.02 . 1 . . . . . . . . 5483 1 852 . 1 1 78 78 ILE HB H 1 1.836 0.02 . 1 . . . . . . . . 5483 1 853 . 1 1 78 78 ILE HG21 H 1 0.958 0.02 . 1 . . . . . . . . 5483 1 854 . 1 1 78 78 ILE HG22 H 1 0.958 0.02 . 1 . . . . . . . . 5483 1 855 . 1 1 78 78 ILE HG23 H 1 0.958 0.02 . 1 . . . . . . . . 5483 1 856 . 1 1 78 78 ILE CG2 C 13 17.4 0.2 . 1 . . . . . . . . 5483 1 857 . 1 1 78 78 ILE HG12 H 1 0.980 0.02 . 2 . . . . . . . . 5483 1 858 . 1 1 78 78 ILE HG13 H 1 1.428 0.02 . 2 . . . . . . . . 5483 1 859 . 1 1 78 78 ILE HD11 H 1 0.633 0.02 . 1 . . . . . . . . 5483 1 860 . 1 1 78 78 ILE HD12 H 1 0.633 0.02 . 1 . . . . . . . . 5483 1 861 . 1 1 78 78 ILE HD13 H 1 0.633 0.02 . 1 . . . . . . . . 5483 1 862 . 1 1 78 78 ILE CD1 C 13 12.9 0.2 . 1 . . . . . . . . 5483 1 863 . 1 1 78 78 ILE C C 13 175.6 0.2 . 1 . . . . . . . . 5483 1 864 . 1 1 79 79 ARG N N 15 120.9 0.2 . 1 . . . . . . . . 5483 1 865 . 1 1 79 79 ARG H H 1 9.425 0.02 . 1 . . . . . . . . 5483 1 866 . 1 1 79 79 ARG CA C 13 52.8 0.2 . 1 . . . . . . . . 5483 1 867 . 1 1 79 79 ARG HA H 1 4.613 0.02 . 1 . . . . . . . . 5483 1 868 . 1 1 79 79 ARG HB2 H 1 1.820 0.02 . 1 . . . . . . . . 5483 1 869 . 1 1 79 79 ARG HB3 H 1 1.950 0.02 . 1 . . . . . . . . 5483 1 870 . 1 1 79 79 ARG HG2 H 1 1.493 0.02 . 2 . . . . . . . . 5483 1 871 . 1 1 79 79 ARG HG3 H 1 1.606 0.02 . 2 . . . . . . . . 5483 1 872 . 1 1 79 79 ARG C C 13 177.3 0.2 . 1 . . . . . . . . 5483 1 873 . 1 1 80 80 ARG N N 15 115.2 0.2 . 1 . . . . . . . . 5483 1 874 . 1 1 80 80 ARG H H 1 7.859 0.02 . 1 . . . . . . . . 5483 1 875 . 1 1 80 80 ARG CA C 13 57.8 0.2 . 1 . . . . . . . . 5483 1 876 . 1 1 80 80 ARG HA H 1 3.697 0.02 . 1 . . . . . . . . 5483 1 877 . 1 1 80 80 ARG CB C 13 29.5 0.2 . 1 . . . . . . . . 5483 1 878 . 1 1 80 80 ARG HB2 H 1 1.340 0.02 . 1 . . . . . . . . 5483 1 879 . 1 1 80 80 ARG HB3 H 1 1.942 0.02 . 1 . . . . . . . . 5483 1 880 . 1 1 80 80 ARG HG2 H 1 1.471 0.02 . 2 . . . . . . . . 5483 1 881 . 1 1 80 80 ARG HG3 H 1 1.853 0.02 . 2 . . . . . . . . 5483 1 882 . 1 1 80 80 ARG HD2 H 1 3.705 0.02 . 1 . . . . . . . . 5483 1 883 . 1 1 80 80 ARG HD3 H 1 3.705 0.02 . 1 . . . . . . . . 5483 1 884 . 1 1 80 80 ARG C C 13 176.9 0.2 . 1 . . . . . . . . 5483 1 885 . 1 1 81 81 ASP N N 15 114.7 0.2 . 1 . . . . . . . . 5483 1 886 . 1 1 81 81 ASP H H 1 8.036 0.02 . 1 . . . . . . . . 5483 1 887 . 1 1 81 81 ASP CA C 13 53.1 0.2 . 1 . . . . . . . . 5483 1 888 . 1 1 81 81 ASP HA H 1 4.437 0.02 . 1 . . . . . . . . 5483 1 889 . 1 1 81 81 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . 5483 1 890 . 1 1 81 81 ASP HB2 H 1 2.604 0.02 . 1 . . . . . . . . 5483 1 891 . 1 1 81 81 ASP HB3 H 1 3.004 0.02 . 1 . . . . . . . . 5483 1 892 . 1 1 81 81 ASP C C 13 176.6 0.2 . 1 . . . . . . . . 5483 1 893 . 1 1 82 82 GLY N N 15 107.4 0.2 . 1 . . . . . . . . 5483 1 894 . 1 1 82 82 GLY H H 1 7.979 0.02 . 1 . . . . . . . . 5483 1 895 . 1 1 82 82 GLY CA C 13 44.5 0.2 . 1 . . . . . . . . 5483 1 896 . 1 1 82 82 GLY HA2 H 1 2.972 0.02 . 1 . . . . . . . . 5483 1 897 . 1 1 82 82 GLY HA3 H 1 4.274 0.02 . 1 . . . . . . . . 5483 1 898 . 1 1 82 82 GLY C C 13 172.4 0.2 . 1 . . . . . . . . 5483 1 899 . 1 1 83 83 GLU N N 15 121.6 0.2 . 1 . . . . . . . . 5483 1 900 . 1 1 83 83 GLU H H 1 7.742 0.02 . 1 . . . . . . . . 5483 1 901 . 1 1 83 83 GLU CA C 13 58.0 0.2 . 1 . . . . . . . . 5483 1 902 . 1 1 83 83 GLU HA H 1 3.896 0.02 . 1 . . . . . . . . 5483 1 903 . 1 1 83 83 GLU HB2 H 1 1.824 0.02 . 2 . . . . . . . . 5483 1 904 . 1 1 83 83 GLU HB3 H 1 2.256 0.02 . 2 . . . . . . . . 5483 1 905 . 1 1 83 83 GLU HG2 H 1 2.050 0.02 . 2 . . . . . . . . 5483 1 906 . 1 1 83 83 GLU HG3 H 1 2.333 0.02 . 2 . . . . . . . . 5483 1 907 . 1 1 83 83 GLU C C 13 175.6 0.2 . 1 . . . . . . . . 5483 1 908 . 1 1 84 84 ILE N N 15 126.6 0.2 . 1 . . . . . . . . 5483 1 909 . 1 1 84 84 ILE H H 1 8.387 0.02 . 1 . . . . . . . . 5483 1 910 . 1 1 84 84 ILE CA C 13 60.3 0.2 . 1 . . . . . . . . 5483 1 911 . 1 1 84 84 ILE HA H 1 4.904 0.02 . 1 . . . . . . . . 5483 1 912 . 1 1 84 84 ILE HB H 1 1.583 0.02 . 1 . . . . . . . . 5483 1 913 . 1 1 84 84 ILE HG21 H 1 0.764 0.02 . 1 . . . . . . . . 5483 1 914 . 1 1 84 84 ILE HG22 H 1 0.764 0.02 . 1 . . . . . . . . 5483 1 915 . 1 1 84 84 ILE HG23 H 1 0.764 0.02 . 1 . . . . . . . . 5483 1 916 . 1 1 84 84 ILE CG2 C 13 18.4 0.2 . 1 . . . . . . . . 5483 1 917 . 1 1 84 84 ILE HG12 H 1 0.689 0.02 . 2 . . . . . . . . 5483 1 918 . 1 1 84 84 ILE HG13 H 1 2.009 0.02 . 2 . . . . . . . . 5483 1 919 . 1 1 84 84 ILE HD11 H 1 0.795 0.02 . 1 . . . . . . . . 5483 1 920 . 1 1 84 84 ILE HD12 H 1 0.795 0.02 . 1 . . . . . . . . 5483 1 921 . 1 1 84 84 ILE HD13 H 1 0.795 0.02 . 1 . . . . . . . . 5483 1 922 . 1 1 84 84 ILE CD1 C 13 15.2 0.2 . 1 . . . . . . . . 5483 1 923 . 1 1 84 84 ILE C C 13 174.8 0.2 . 1 . . . . . . . . 5483 1 924 . 1 1 85 85 VAL N N 15 130.1 0.2 . 1 . . . . . . . . 5483 1 925 . 1 1 85 85 VAL H H 1 9.288 0.02 . 1 . . . . . . . . 5483 1 926 . 1 1 85 85 VAL CA C 13 60.4 0.2 . 1 . . . . . . . . 5483 1 927 . 1 1 85 85 VAL HA H 1 4.695 0.02 . 1 . . . . . . . . 5483 1 928 . 1 1 85 85 VAL HB H 1 1.832 0.02 . 1 . . . . . . . . 5483 1 929 . 1 1 85 85 VAL HG11 H 1 0.442 0.02 . 1 . . . . . . . . 5483 1 930 . 1 1 85 85 VAL HG12 H 1 0.442 0.02 . 1 . . . . . . . . 5483 1 931 . 1 1 85 85 VAL HG13 H 1 0.442 0.02 . 1 . . . . . . . . 5483 1 932 . 1 1 85 85 VAL HG21 H 1 0.765 0.02 . 1 . . . . . . . . 5483 1 933 . 1 1 85 85 VAL HG22 H 1 0.765 0.02 . 1 . . . . . . . . 5483 1 934 . 1 1 85 85 VAL HG23 H 1 0.765 0.02 . 1 . . . . . . . . 5483 1 935 . 1 1 85 85 VAL CG1 C 13 21.6 0.2 . 1 . . . . . . . . 5483 1 936 . 1 1 85 85 VAL CG2 C 13 20.3 0.2 . 1 . . . . . . . . 5483 1 937 . 1 1 85 85 VAL C C 13 174.9 0.2 . 1 . . . . . . . . 5483 1 938 . 1 1 86 86 GLN N N 15 126.9 0.2 . 1 . . . . . . . . 5483 1 939 . 1 1 86 86 GLN H H 1 9.171 0.02 . 1 . . . . . . . . 5483 1 940 . 1 1 86 86 GLN CA C 13 54.4 0.2 . 1 . . . . . . . . 5483 1 941 . 1 1 86 86 GLN HA H 1 4.985 0.02 . 1 . . . . . . . . 5483 1 942 . 1 1 86 86 GLN HB2 H 1 1.335 0.02 . 1 . . . . . . . . 5483 1 943 . 1 1 86 86 GLN HB3 H 1 1.574 0.02 . 1 . . . . . . . . 5483 1 944 . 1 1 86 86 GLN HG2 H 1 1.909 0.02 . 2 . . . . . . . . 5483 1 945 . 1 1 86 86 GLN HG3 H 1 1.952 0.02 . 2 . . . . . . . . 5483 1 946 . 1 1 86 86 GLN NE2 N 15 109.1 0.2 . 1 . . . . . . . . 5483 1 947 . 1 1 86 86 GLN HE22 H 1 6.830 0.02 . 1 . . . . . . . . 5483 1 948 . 1 1 86 86 GLN HE21 H 1 7.722 0.02 . 1 . . . . . . . . 5483 1 949 . 1 1 86 86 GLN C C 13 173.2 0.2 . 1 . . . . . . . . 5483 1 950 . 1 1 87 87 TYR N N 15 123.2 0.2 . 1 . . . . . . . . 5483 1 951 . 1 1 87 87 TYR H H 1 7.882 0.02 . 1 . . . . . . . . 5483 1 952 . 1 1 87 87 TYR CA C 13 57.0 0.2 . 1 . . . . . . . . 5483 1 953 . 1 1 87 87 TYR HA H 1 5.398 0.02 . 1 . . . . . . . . 5483 1 954 . 1 1 87 87 TYR HB2 H 1 2.984 0.02 . 1 . . . . . . . . 5483 1 955 . 1 1 87 87 TYR HB3 H 1 3.126 0.02 . 1 . . . . . . . . 5483 1 956 . 1 1 87 87 TYR CD1 C 13 133.1 0.2 . 1 . . . . . . . . 5483 1 957 . 1 1 87 87 TYR HD1 H 1 6.458 0.02 . 1 . . . . . . . . 5483 1 958 . 1 1 87 87 TYR CE1 C 13 118.5 0.2 . 1 . . . . . . . . 5483 1 959 . 1 1 87 87 TYR HE1 H 1 6.462 0.02 . 1 . . . . . . . . 5483 1 960 . 1 1 87 87 TYR CE2 C 13 118.5 0.2 . 1 . . . . . . . . 5483 1 961 . 1 1 87 87 TYR HE2 H 1 6.605 0.02 . 1 . . . . . . . . 5483 1 962 . 1 1 87 87 TYR CD2 C 13 133.1 0.2 . 1 . . . . . . . . 5483 1 963 . 1 1 87 87 TYR HD2 H 1 7.633 0.02 . 1 . . . . . . . . 5483 1 964 . 1 1 87 87 TYR HH H 1 8.975 0.02 . 1 . . . . . . . . 5483 1 965 . 1 1 87 87 TYR C C 13 176.4 0.2 . 1 . . . . . . . . 5483 1 966 . 1 1 88 88 VAL N N 15 117.7 0.2 . 1 . . . . . . . . 5483 1 967 . 1 1 88 88 VAL H H 1 7.011 0.02 . 1 . . . . . . . . 5483 1 968 . 1 1 88 88 VAL CA C 13 57.8 0.2 . 1 . . . . . . . . 5483 1 969 . 1 1 88 88 VAL HA H 1 4.045 0.02 . 1 . . . . . . . . 5483 1 970 . 1 1 88 88 VAL HB H 1 1.194 0.02 . 1 . . . . . . . . 5483 1 971 . 1 1 88 88 VAL HG11 H 1 0.433 0.02 . 1 . . . . . . . . 5483 1 972 . 1 1 88 88 VAL HG12 H 1 0.433 0.02 . 1 . . . . . . . . 5483 1 973 . 1 1 88 88 VAL HG13 H 1 0.433 0.02 . 1 . . . . . . . . 5483 1 974 . 1 1 88 88 VAL HG21 H 1 0.500 0.02 . 1 . . . . . . . . 5483 1 975 . 1 1 88 88 VAL HG22 H 1 0.500 0.02 . 1 . . . . . . . . 5483 1 976 . 1 1 88 88 VAL HG23 H 1 0.500 0.02 . 1 . . . . . . . . 5483 1 977 . 1 1 88 88 VAL CG1 C 13 19.9 0.2 . 1 . . . . . . . . 5483 1 978 . 1 1 88 88 VAL CG2 C 13 20.7 0.2 . 1 . . . . . . . . 5483 1 979 . 1 1 88 88 VAL C C 13 172.8 0.2 . 1 . . . . . . . . 5483 1 980 . 1 1 89 89 PRO CA C 13 61.5 0.2 . 1 . . . . . . . . 5483 1 981 . 1 1 89 89 PRO HA H 1 3.920 0.02 . 1 . . . . . . . . 5483 1 982 . 1 1 89 89 PRO CB C 13 31.9 0.2 . 1 . . . . . . . . 5483 1 983 . 1 1 89 89 PRO HB2 H 1 2.265 0.02 . 2 . . . . . . . . 5483 1 984 . 1 1 89 89 PRO HB3 H 1 2.308 0.02 . 2 . . . . . . . . 5483 1 985 . 1 1 89 89 PRO HG2 H 1 1.457 0.02 . 2 . . . . . . . . 5483 1 986 . 1 1 89 89 PRO HG3 H 1 2.018 0.02 . 2 . . . . . . . . 5483 1 987 . 1 1 89 89 PRO HD2 H 1 2.664 0.02 . 2 . . . . . . . . 5483 1 988 . 1 1 89 89 PRO HD3 H 1 2.860 0.02 . 2 . . . . . . . . 5483 1 989 . 1 1 89 89 PRO C C 13 173.7 0.2 . 1 . . . . . . . . 5483 1 990 . 1 1 90 90 PHE N N 15 113.3 0.2 . 1 . . . . . . . . 5483 1 991 . 1 1 90 90 PHE H H 1 8.670 0.02 . 1 . . . . . . . . 5483 1 992 . 1 1 90 90 PHE CA C 13 61.1 0.2 . 1 . . . . . . . . 5483 1 993 . 1 1 90 90 PHE HA H 1 3.954 0.02 . 1 . . . . . . . . 5483 1 994 . 1 1 90 90 PHE CB C 13 39.6 0.2 . 1 . . . . . . . . 5483 1 995 . 1 1 90 90 PHE HB2 H 1 2.889 0.02 . 1 . . . . . . . . 5483 1 996 . 1 1 90 90 PHE HB3 H 1 2.950 0.02 . 1 . . . . . . . . 5483 1 997 . 1 1 90 90 PHE CD1 C 13 129.3 0.2 . 1 . . . . . . . . 5483 1 998 . 1 1 90 90 PHE HD1 H 1 6.852 0.02 . 1 . . . . . . . . 5483 1 999 . 1 1 90 90 PHE CE1 C 13 131.0 0.2 . 1 . . . . . . . . 5483 1 1000 . 1 1 90 90 PHE HE1 H 1 6.995 0.02 . 1 . . . . . . . . 5483 1 1001 . 1 1 90 90 PHE CZ C 13 130.1 0.2 . 1 . . . . . . . . 5483 1 1002 . 1 1 90 90 PHE HZ H 1 6.918 0.02 . 1 . . . . . . . . 5483 1 1003 . 1 1 90 90 PHE CE2 C 13 131.0 0.2 . 1 . . . . . . . . 5483 1 1004 . 1 1 90 90 PHE HE2 H 1 6.995 0.02 . 1 . . . . . . . . 5483 1 1005 . 1 1 90 90 PHE CD2 C 13 129.3 0.2 . 1 . . . . . . . . 5483 1 1006 . 1 1 90 90 PHE HD2 H 1 6.852 0.02 . 1 . . . . . . . . 5483 1 1007 . 1 1 90 90 PHE C C 13 175.5 0.2 . 1 . . . . . . . . 5483 1 1008 . 1 1 91 91 ASP N N 15 112.4 0.2 . 1 . . . . . . . . 5483 1 1009 . 1 1 91 91 ASP H H 1 8.775 0.02 . 1 . . . . . . . . 5483 1 1010 . 1 1 91 91 ASP CA C 13 54.3 0.2 . 1 . . . . . . . . 5483 1 1011 . 1 1 91 91 ASP HA H 1 4.321 0.02 . 1 . . . . . . . . 5483 1 1012 . 1 1 91 91 ASP CB C 13 40.7 0.2 . 1 . . . . . . . . 5483 1 1013 . 1 1 91 91 ASP HB2 H 1 2.631 0.02 . 1 . . . . . . . . 5483 1 1014 . 1 1 91 91 ASP HB3 H 1 2.794 0.02 . 1 . . . . . . . . 5483 1 1015 . 1 1 91 91 ASP C C 13 176.6 0.2 . 1 . . . . . . . . 5483 1 1016 . 1 1 92 92 LYS N N 15 119.9 0.2 . 1 . . . . . . . . 5483 1 1017 . 1 1 92 92 LYS H H 1 7.674 0.02 . 1 . . . . . . . . 5483 1 1018 . 1 1 92 92 LYS CA C 13 53.5 0.2 . 1 . . . . . . . . 5483 1 1019 . 1 1 92 92 LYS HA H 1 4.711 0.02 . 1 . . . . . . . . 5483 1 1020 . 1 1 92 92 LYS CB C 13 34.7 0.2 . 1 . . . . . . . . 5483 1 1021 . 1 1 92 92 LYS HB2 H 1 1.532 0.02 . 1 . . . . . . . . 5483 1 1022 . 1 1 92 92 LYS HB3 H 1 1.835 0.02 . 1 . . . . . . . . 5483 1 1023 . 1 1 92 92 LYS HG2 H 1 0.626 0.02 . 2 . . . . . . . . 5483 1 1024 . 1 1 92 92 LYS HG3 H 1 1.031 0.02 . 2 . . . . . . . . 5483 1 1025 . 1 1 92 92 LYS HD2 H 1 1.100 0.02 . 2 . . . . . . . . 5483 1 1026 . 1 1 92 92 LYS HD3 H 1 1.443 0.02 . 2 . . . . . . . . 5483 1 1027 . 1 1 92 92 LYS HE2 H 1 2.978 0.02 . 1 . . . . . . . . 5483 1 1028 . 1 1 92 92 LYS HE3 H 1 2.978 0.02 . 1 . . . . . . . . 5483 1 1029 . 1 1 92 92 LYS C C 13 174.0 0.2 . 1 . . . . . . . . 5483 1 1030 . 1 1 93 93 ARG N N 15 122.5 0.2 . 1 . . . . . . . . 5483 1 1031 . 1 1 93 93 ARG H H 1 9.024 0.02 . 1 . . . . . . . . 5483 1 1032 . 1 1 93 93 ARG CA C 13 57.3 0.2 . 1 . . . . . . . . 5483 1 1033 . 1 1 93 93 ARG HA H 1 4.234 0.02 . 1 . . . . . . . . 5483 1 1034 . 1 1 93 93 ARG HB2 H 1 1.900 0.02 . 1 . . . . . . . . 5483 1 1035 . 1 1 93 93 ARG HB3 H 1 1.950 0.02 . 1 . . . . . . . . 5483 1 1036 . 1 1 93 93 ARG C C 13 174.4 0.2 . 1 . . . . . . . . 5483 1 1037 . 1 1 94 94 ALA N N 15 125.7 0.2 . 1 . . . . . . . . 5483 1 1038 . 1 1 94 94 ALA H H 1 6.989 0.02 . 1 . . . . . . . . 5483 1 1039 . 1 1 94 94 ALA CA C 13 50.3 0.2 . 1 . . . . . . . . 5483 1 1040 . 1 1 94 94 ALA HA H 1 3.952 0.02 . 1 . . . . . . . . 5483 1 1041 . 1 1 94 94 ALA HB1 H 1 0.147 0.02 . 1 . . . . . . . . 5483 1 1042 . 1 1 94 94 ALA HB2 H 1 0.147 0.02 . 1 . . . . . . . . 5483 1 1043 . 1 1 94 94 ALA HB3 H 1 0.147 0.02 . 1 . . . . . . . . 5483 1 1044 . 1 1 94 94 ALA CB C 13 16.7 0.2 . 1 . . . . . . . . 5483 1 1045 . 1 1 94 94 ALA C C 13 177.8 0.2 . 1 . . . . . . . . 5483 1 1046 . 1 1 95 95 TRP N N 15 125.9 0.2 . 1 . . . . . . . . 5483 1 1047 . 1 1 95 95 TRP H H 1 7.492 0.02 . 1 . . . . . . . . 5483 1 1048 . 1 1 95 95 TRP CA C 13 53.4 0.2 . 1 . . . . . . . . 5483 1 1049 . 1 1 95 95 TRP HA H 1 5.228 0.02 . 1 . . . . . . . . 5483 1 1050 . 1 1 95 95 TRP HB2 H 1 3.029 0.02 . 2 . . . . . . . . 5483 1 1051 . 1 1 95 95 TRP HB3 H 1 3.066 0.02 . 2 . . . . . . . . 5483 1 1052 . 1 1 95 95 TRP CD1 C 13 123.6 0.2 . 1 . . . . . . . . 5483 1 1053 . 1 1 95 95 TRP CE3 C 13 121.1 0.2 . 1 . . . . . . . . 5483 1 1054 . 1 1 95 95 TRP NE1 N 15 127.5 0.2 . 1 . . . . . . . . 5483 1 1055 . 1 1 95 95 TRP HD1 H 1 6.426 0.02 . 1 . . . . . . . . 5483 1 1056 . 1 1 95 95 TRP HE3 H 1 7.207 0.02 . 1 . . . . . . . . 5483 1 1057 . 1 1 95 95 TRP CZ3 C 13 120.3 0.2 . 1 . . . . . . . . 5483 1 1058 . 1 1 95 95 TRP CZ2 C 13 113.9 0.2 . 1 . . . . . . . . 5483 1 1059 . 1 1 95 95 TRP HE1 H 1 9.525 0.02 . 1 . . . . . . . . 5483 1 1060 . 1 1 95 95 TRP HZ3 H 1 6.562 0.02 . 1 . . . . . . . . 5483 1 1061 . 1 1 95 95 TRP CH2 C 13 124.5 0.2 . 1 . . . . . . . . 5483 1 1062 . 1 1 95 95 TRP HZ2 H 1 6.815 0.02 . 1 . . . . . . . . 5483 1 1063 . 1 1 95 95 TRP HH2 H 1 7.101 0.02 . 1 . . . . . . . . 5483 1 1064 . 1 1 95 95 TRP C C 13 174.7 0.2 . 1 . . . . . . . . 5483 1 1065 . 1 1 96 96 HIS N N 15 114.2 0.2 . 1 . . . . . . . . 5483 1 1066 . 1 1 96 96 HIS H H 1 6.861 0.02 . 1 . . . . . . . . 5483 1 1067 . 1 1 96 96 HIS CA C 13 55.4 0.2 . 1 . . . . . . . . 5483 1 1068 . 1 1 96 96 HIS HA H 1 4.893 0.02 . 1 . . . . . . . . 5483 1 1069 . 1 1 96 96 HIS HB2 H 1 2.394 0.02 . 1 . . . . . . . . 5483 1 1070 . 1 1 96 96 HIS HB3 H 1 3.367 0.02 . 1 . . . . . . . . 5483 1 1071 . 1 1 96 96 HIS ND1 N 15 249.5 0.2 . 1 . . . . . . . . 5483 1 1072 . 1 1 96 96 HIS CD2 C 13 117.4 0.2 . 1 . . . . . . . . 5483 1 1073 . 1 1 96 96 HIS HD2 H 1 6.749 0.02 . 1 . . . . . . . . 5483 1 1074 . 1 1 96 96 HIS CE1 C 13 139.8 0.2 . 1 . . . . . . . . 5483 1 1075 . 1 1 96 96 HIS NE2 N 15 166.7 0.2 . 1 . . . . . . . . 5483 1 1076 . 1 1 96 96 HIS HE1 H 1 7.292 0.02 . 1 . . . . . . . . 5483 1 1077 . 1 1 96 96 HIS HE2 H 1 12.530 0.02 . 1 . . . . . . . . 5483 1 1078 . 1 1 96 96 HIS C C 13 175.8 0.2 . 1 . . . . . . . . 5483 1 1079 . 1 1 97 97 ALA N N 15 124.6 0.2 . 1 . . . . . . . . 5483 1 1080 . 1 1 97 97 ALA H H 1 8.928 0.02 . 1 . . . . . . . . 5483 1 1081 . 1 1 97 97 ALA CA C 13 52.7 0.2 . 1 . . . . . . . . 5483 1 1082 . 1 1 97 97 ALA HA H 1 3.765 0.02 . 1 . . . . . . . . 5483 1 1083 . 1 1 97 97 ALA HB1 H 1 0.698 0.02 . 1 . . . . . . . . 5483 1 1084 . 1 1 97 97 ALA HB2 H 1 0.698 0.02 . 1 . . . . . . . . 5483 1 1085 . 1 1 97 97 ALA HB3 H 1 0.698 0.02 . 1 . . . . . . . . 5483 1 1086 . 1 1 97 97 ALA CB C 13 19.1 0.2 . 1 . . . . . . . . 5483 1 1087 . 1 1 97 97 ALA C C 13 179.5 0.2 . 1 . . . . . . . . 5483 1 1088 . 1 1 98 98 GLY N N 15 106.9 0.2 . 1 . . . . . . . . 5483 1 1089 . 1 1 98 98 GLY H H 1 7.716 0.02 . 1 . . . . . . . . 5483 1 1090 . 1 1 98 98 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 5483 1 1091 . 1 1 98 98 GLY HA2 H 1 3.712 0.02 . 1 . . . . . . . . 5483 1 1092 . 1 1 98 98 GLY HA3 H 1 3.934 0.02 . 1 . . . . . . . . 5483 1 1093 . 1 1 98 98 GLY C C 13 173.9 0.2 . 1 . . . . . . . . 5483 1 1094 . 1 1 99 99 VAL N N 15 127.1 0.2 . 1 . . . . . . . . 5483 1 1095 . 1 1 99 99 VAL H H 1 8.447 0.02 . 1 . . . . . . . . 5483 1 1096 . 1 1 99 99 VAL CA C 13 64.4 0.2 . 1 . . . . . . . . 5483 1 1097 . 1 1 99 99 VAL HA H 1 4.165 0.02 . 1 . . . . . . . . 5483 1 1098 . 1 1 99 99 VAL CB C 13 32.1 0.2 . 1 . . . . . . . . 5483 1 1099 . 1 1 99 99 VAL HB H 1 1.845 0.02 . 1 . . . . . . . . 5483 1 1100 . 1 1 99 99 VAL HG11 H 1 0.980 0.02 . 1 . . . . . . . . 5483 1 1101 . 1 1 99 99 VAL HG12 H 1 0.980 0.02 . 1 . . . . . . . . 5483 1 1102 . 1 1 99 99 VAL HG13 H 1 0.980 0.02 . 1 . . . . . . . . 5483 1 1103 . 1 1 99 99 VAL HG21 H 1 0.994 0.02 . 1 . . . . . . . . 5483 1 1104 . 1 1 99 99 VAL HG22 H 1 0.994 0.02 . 1 . . . . . . . . 5483 1 1105 . 1 1 99 99 VAL HG23 H 1 0.994 0.02 . 1 . . . . . . . . 5483 1 1106 . 1 1 99 99 VAL CG1 C 13 21.0 0.2 . 1 . . . . . . . . 5483 1 1107 . 1 1 99 99 VAL CG2 C 13 21.6 0.2 . 1 . . . . . . . . 5483 1 1108 . 1 1 99 99 VAL C C 13 177.3 0.2 . 1 . . . . . . . . 5483 1 1109 . 1 1 100 100 SER N N 15 121.9 0.2 . 1 . . . . . . . . 5483 1 1110 . 1 1 100 100 SER H H 1 9.039 0.02 . 1 . . . . . . . . 5483 1 1111 . 1 1 100 100 SER CA C 13 57.4 0.2 . 1 . . . . . . . . 5483 1 1112 . 1 1 100 100 SER HA H 1 5.088 0.02 . 1 . . . . . . . . 5483 1 1113 . 1 1 100 100 SER CB C 13 64.9 0.2 . 1 . . . . . . . . 5483 1 1114 . 1 1 100 100 SER HB2 H 1 3.954 0.02 . 1 . . . . . . . . 5483 1 1115 . 1 1 100 100 SER HB3 H 1 3.504 0.02 . 1 . . . . . . . . 5483 1 1116 . 1 1 100 100 SER C C 13 173.1 0.2 . 1 . . . . . . . . 5483 1 1117 . 1 1 101 101 SER N N 15 111.2 0.2 . 1 . . . . . . . . 5483 1 1118 . 1 1 101 101 SER H H 1 8.840 0.02 . 1 . . . . . . . . 5483 1 1119 . 1 1 101 101 SER CA C 13 57.7 0.2 . 1 . . . . . . . . 5483 1 1120 . 1 1 101 101 SER HA H 1 5.251 0.02 . 1 . . . . . . . . 5483 1 1121 . 1 1 101 101 SER CB C 13 65.0 0.2 . 1 . . . . . . . . 5483 1 1122 . 1 1 101 101 SER HB2 H 1 3.538 0.02 . 1 . . . . . . . . 5483 1 1123 . 1 1 101 101 SER HB3 H 1 3.744 0.02 . 1 . . . . . . . . 5483 1 1124 . 1 1 101 101 SER C C 13 173.1 0.2 . 1 . . . . . . . . 5483 1 1125 . 1 1 102 102 TYR N N 15 123.5 0.2 . 1 . . . . . . . . 5483 1 1126 . 1 1 102 102 TYR H H 1 9.032 0.02 . 1 . . . . . . . . 5483 1 1127 . 1 1 102 102 TYR CA C 13 57.5 0.2 . 1 . . . . . . . . 5483 1 1128 . 1 1 102 102 TYR HA H 1 4.851 0.02 . 1 . . . . . . . . 5483 1 1129 . 1 1 102 102 TYR HB2 H 1 2.890 0.02 . 1 . . . . . . . . 5483 1 1130 . 1 1 102 102 TYR HB3 H 1 3.014 0.02 . 1 . . . . . . . . 5483 1 1131 . 1 1 102 102 TYR CD1 C 13 133.4 0.2 . 1 . . . . . . . . 5483 1 1132 . 1 1 102 102 TYR HD1 H 1 7.118 0.02 . 1 . . . . . . . . 5483 1 1133 . 1 1 102 102 TYR CE1 C 13 118.3 0.2 . 1 . . . . . . . . 5483 1 1134 . 1 1 102 102 TYR HE1 H 1 6.739 0.02 . 1 . . . . . . . . 5483 1 1135 . 1 1 102 102 TYR CE2 C 13 118.3 0.2 . 1 . . . . . . . . 5483 1 1136 . 1 1 102 102 TYR HE2 H 1 6.739 0.02 . 1 . . . . . . . . 5483 1 1137 . 1 1 102 102 TYR CD2 C 13 133.4 0.2 . 1 . . . . . . . . 5483 1 1138 . 1 1 102 102 TYR HD2 H 1 7.118 0.02 . 1 . . . . . . . . 5483 1 1139 . 1 1 102 102 TYR C C 13 174.7 0.2 . 1 . . . . . . . . 5483 1 1140 . 1 1 103 103 GLN N N 15 126.4 0.2 . 1 . . . . . . . . 5483 1 1141 . 1 1 103 103 GLN H H 1 9.108 0.02 . 1 . . . . . . . . 5483 1 1142 . 1 1 103 103 GLN CA C 13 56.4 0.2 . 1 . . . . . . . . 5483 1 1143 . 1 1 103 103 GLN HA H 1 3.575 0.02 . 1 . . . . . . . . 5483 1 1144 . 1 1 103 103 GLN CB C 13 27.2 0.2 . 1 . . . . . . . . 5483 1 1145 . 1 1 103 103 GLN HB2 H 1 1.124 0.02 . 2 . . . . . . . . 5483 1 1146 . 1 1 103 103 GLN HB3 H 1 1.553 0.02 . 2 . . . . . . . . 5483 1 1147 . 1 1 103 103 GLN HG2 H 1 1.573 0.02 . 2 . . . . . . . . 5483 1 1148 . 1 1 103 103 GLN HG3 H 1 1.894 0.02 . 2 . . . . . . . . 5483 1 1149 . 1 1 103 103 GLN NE2 N 15 109.8 0.2 . 1 . . . . . . . . 5483 1 1150 . 1 1 103 103 GLN HE21 H 1 6.920 0.02 . 2 . . . . . . . . 5483 1 1151 . 1 1 103 103 GLN HE22 H 1 6.720 0.02 . 2 . . . . . . . . 5483 1 1152 . 1 1 103 103 GLN C C 13 175.7 0.2 . 1 . . . . . . . . 5483 1 1153 . 1 1 104 104 GLY N N 15 103.7 0.2 . 1 . . . . . . . . 5483 1 1154 . 1 1 104 104 GLY H H 1 8.459 0.02 . 1 . . . . . . . . 5483 1 1155 . 1 1 104 104 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 5483 1 1156 . 1 1 104 104 GLY HA2 H 1 3.473 0.02 . 1 . . . . . . . . 5483 1 1157 . 1 1 104 104 GLY HA3 H 1 4.133 0.02 . 1 . . . . . . . . 5483 1 1158 . 1 1 104 104 GLY C C 13 173.3 0.2 . 1 . . . . . . . . 5483 1 1159 . 1 1 105 105 ARG N N 15 123.1 0.2 . 1 . . . . . . . . 5483 1 1160 . 1 1 105 105 ARG H H 1 7.891 0.02 . 1 . . . . . . . . 5483 1 1161 . 1 1 105 105 ARG CA C 13 55.8 0.2 . 1 . . . . . . . . 5483 1 1162 . 1 1 105 105 ARG HA H 1 4.557 0.02 . 1 . . . . . . . . 5483 1 1163 . 1 1 105 105 ARG CB C 13 33.0 0.2 . 1 . . . . . . . . 5483 1 1164 . 1 1 105 105 ARG HB2 H 1 1.586 0.02 . 1 . . . . . . . . 5483 1 1165 . 1 1 105 105 ARG HB3 H 1 1.918 0.02 . 1 . . . . . . . . 5483 1 1166 . 1 1 105 105 ARG HG2 H 1 1.368 0.02 . 2 . . . . . . . . 5483 1 1167 . 1 1 105 105 ARG HG3 H 1 1.592 0.02 . 2 . . . . . . . . 5483 1 1168 . 1 1 105 105 ARG HD2 H 1 3.412 0.02 . 1 . . . . . . . . 5483 1 1169 . 1 1 105 105 ARG HD3 H 1 3.412 0.02 . 1 . . . . . . . . 5483 1 1170 . 1 1 105 105 ARG C C 13 175.1 0.2 . 1 . . . . . . . . 5483 1 1171 . 1 1 106 106 GLU N N 15 124.6 0.2 . 1 . . . . . . . . 5483 1 1172 . 1 1 106 106 GLU H H 1 8.329 0.02 . 1 . . . . . . . . 5483 1 1173 . 1 1 106 106 GLU CA C 13 55.7 0.2 . 1 . . . . . . . . 5483 1 1174 . 1 1 106 106 GLU HA H 1 5.123 0.02 . 1 . . . . . . . . 5483 1 1175 . 1 1 106 106 GLU CB C 13 32.9 0.2 . 1 . . . . . . . . 5483 1 1176 . 1 1 106 106 GLU HB2 H 1 2.019 0.02 . 2 . . . . . . . . 5483 1 1177 . 1 1 106 106 GLU HB3 H 1 2.335 0.02 . 2 . . . . . . . . 5483 1 1178 . 1 1 106 106 GLU HG2 H 1 2.003 0.02 . 2 . . . . . . . . 5483 1 1179 . 1 1 106 106 GLU HG3 H 1 2.357 0.02 . 2 . . . . . . . . 5483 1 1180 . 1 1 106 106 GLU C C 13 175.0 0.2 . 1 . . . . . . . . 5483 1 1181 . 1 1 107 107 ARG N N 15 114.5 0.2 . 1 . . . . . . . . 5483 1 1182 . 1 1 107 107 ARG H H 1 8.540 0.02 . 1 . . . . . . . . 5483 1 1183 . 1 1 107 107 ARG CA C 13 56.9 0.2 . 1 . . . . . . . . 5483 1 1184 . 1 1 107 107 ARG HA H 1 3.942 0.02 . 1 . . . . . . . . 5483 1 1185 . 1 1 107 107 ARG HB2 H 1 2.096 0.02 . 1 . . . . . . . . 5483 1 1186 . 1 1 107 107 ARG HB3 H 1 2.339 0.02 . 1 . . . . . . . . 5483 1 1187 . 1 1 107 107 ARG HG2 H 1 1.584 0.02 . 2 . . . . . . . . 5483 1 1188 . 1 1 107 107 ARG HG3 H 1 1.845 0.02 . 2 . . . . . . . . 5483 1 1189 . 1 1 107 107 ARG HD2 H 1 3.220 0.02 . 2 . . . . . . . . 5483 1 1190 . 1 1 107 107 ARG HD3 H 1 3.301 0.02 . 2 . . . . . . . . 5483 1 1191 . 1 1 107 107 ARG HE H 1 7.447 0.02 . 1 . . . . . . . . 5483 1 1192 . 1 1 107 107 ARG C C 13 177.1 0.2 . 1 . . . . . . . . 5483 1 1193 . 1 1 108 108 CYS N N 15 112.6 0.2 . 1 . . . . . . . . 5483 1 1194 . 1 1 108 108 CYS H H 1 6.928 0.02 . 1 . . . . . . . . 5483 1 1195 . 1 1 108 108 CYS CA C 13 61.3 0.2 . 1 . . . . . . . . 5483 1 1196 . 1 1 108 108 CYS HA H 1 3.380 0.02 . 1 . . . . . . . . 5483 1 1197 . 1 1 108 108 CYS HB2 H 1 1.993 0.02 . 1 . . . . . . . . 5483 1 1198 . 1 1 108 108 CYS HB3 H 1 2.339 0.02 . 1 . . . . . . . . 5483 1 1199 . 1 1 108 108 CYS C C 13 178.3 0.2 . 1 . . . . . . . . 5483 1 1200 . 1 1 109 109 ASN N N 15 123.0 0.2 . 1 . . . . . . . . 5483 1 1201 . 1 1 109 109 ASN H H 1 9.590 0.02 . 1 . . . . . . . . 5483 1 1202 . 1 1 109 109 ASN CA C 13 56.1 0.2 . 1 . . . . . . . . 5483 1 1203 . 1 1 109 109 ASN HA H 1 4.127 0.02 . 1 . . . . . . . . 5483 1 1204 . 1 1 109 109 ASN HB2 H 1 2.628 0.02 . 1 . . . . . . . . 5483 1 1205 . 1 1 109 109 ASN HB3 H 1 2.701 0.02 . 1 . . . . . . . . 5483 1 1206 . 1 1 109 109 ASN ND2 N 15 106.2 0.2 . 1 . . . . . . . . 5483 1 1207 . 1 1 109 109 ASN HD22 H 1 4.854 0.02 . 1 . . . . . . . . 5483 1 1208 . 1 1 109 109 ASN HD21 H 1 6.147 0.02 . 1 . . . . . . . . 5483 1 1209 . 1 1 109 109 ASN C C 13 177.9 0.2 . 1 . . . . . . . . 5483 1 1210 . 1 1 110 110 ASP N N 15 117.8 0.2 . 1 . . . . . . . . 5483 1 1211 . 1 1 110 110 ASP H H 1 8.196 0.02 . 1 . . . . . . . . 5483 1 1212 . 1 1 110 110 ASP CA C 13 58.8 0.2 . 1 . . . . . . . . 5483 1 1213 . 1 1 110 110 ASP HA H 1 4.025 0.02 . 1 . . . . . . . . 5483 1 1214 . 1 1 110 110 ASP CB C 13 41.0 0.2 . 1 . . . . . . . . 5483 1 1215 . 1 1 110 110 ASP HB2 H 1 2.913 0.02 . 1 . . . . . . . . 5483 1 1216 . 1 1 110 110 ASP HB3 H 1 3.174 0.02 . 1 . . . . . . . . 5483 1 1217 . 1 1 110 110 ASP C C 13 176.5 0.2 . 1 . . . . . . . . 5483 1 1218 . 1 1 111 111 PHE N N 15 107.9 0.2 . 1 . . . . . . . . 5483 1 1219 . 1 1 111 111 PHE H H 1 6.429 0.02 . 1 . . . . . . . . 5483 1 1220 . 1 1 111 111 PHE CA C 13 54.5 0.2 . 1 . . . . . . . . 5483 1 1221 . 1 1 111 111 PHE HA H 1 4.948 0.02 . 1 . . . . . . . . 5483 1 1222 . 1 1 111 111 PHE CB C 13 39.5 0.2 . 1 . . . . . . . . 5483 1 1223 . 1 1 111 111 PHE HB2 H 1 2.690 0.02 . 1 . . . . . . . . 5483 1 1224 . 1 1 111 111 PHE HB3 H 1 3.721 0.02 . 1 . . . . . . . . 5483 1 1225 . 1 1 111 111 PHE CD1 C 13 132.1 0.2 . 1 . . . . . . . . 5483 1 1226 . 1 1 111 111 PHE HD1 H 1 7.077 0.02 . 1 . . . . . . . . 5483 1 1227 . 1 1 111 111 PHE CE1 C 13 130.3 0.2 . 1 . . . . . . . . 5483 1 1228 . 1 1 111 111 PHE HE1 H 1 7.256 0.02 . 1 . . . . . . . . 5483 1 1229 . 1 1 111 111 PHE CZ C 13 131.1 0.2 . 1 . . . . . . . . 5483 1 1230 . 1 1 111 111 PHE HZ H 1 7.435 0.02 . 1 . . . . . . . . 5483 1 1231 . 1 1 111 111 PHE CE2 C 13 130.3 0.2 . 1 . . . . . . . . 5483 1 1232 . 1 1 111 111 PHE HE2 H 1 7.256 0.02 . 1 . . . . . . . . 5483 1 1233 . 1 1 111 111 PHE CD2 C 13 132.1 0.2 . 1 . . . . . . . . 5483 1 1234 . 1 1 111 111 PHE HD2 H 1 7.077 0.02 . 1 . . . . . . . . 5483 1 1235 . 1 1 111 111 PHE C C 13 173.4 0.2 . 1 . . . . . . . . 5483 1 1236 . 1 1 112 112 SER N N 15 113.7 0.2 . 1 . . . . . . . . 5483 1 1237 . 1 1 112 112 SER H H 1 7.286 0.02 . 1 . . . . . . . . 5483 1 1238 . 1 1 112 112 SER CA C 13 56.3 0.2 . 1 . . . . . . . . 5483 1 1239 . 1 1 112 112 SER HA H 1 6.000 0.02 . 1 . . . . . . . . 5483 1 1240 . 1 1 112 112 SER HB2 H 1 3.171 0.02 . 1 . . . . . . . . 5483 1 1241 . 1 1 112 112 SER HB3 H 1 3.615 0.02 . 1 . . . . . . . . 5483 1 1242 . 1 1 112 112 SER C C 13 175.1 0.2 . 1 . . . . . . . . 5483 1 1243 . 1 1 113 113 ILE N N 15 121.6 0.2 . 1 . . . . . . . . 5483 1 1244 . 1 1 113 113 ILE H H 1 8.942 0.02 . 1 . . . . . . . . 5483 1 1245 . 1 1 113 113 ILE CA C 13 59.5 0.2 . 1 . . . . . . . . 5483 1 1246 . 1 1 113 113 ILE HA H 1 4.312 0.02 . 1 . . . . . . . . 5483 1 1247 . 1 1 113 113 ILE HB H 1 1.258 0.02 . 1 . . . . . . . . 5483 1 1248 . 1 1 113 113 ILE HG21 H 1 0.604 0.02 . 1 . . . . . . . . 5483 1 1249 . 1 1 113 113 ILE HG22 H 1 0.604 0.02 . 1 . . . . . . . . 5483 1 1250 . 1 1 113 113 ILE HG23 H 1 0.604 0.02 . 1 . . . . . . . . 5483 1 1251 . 1 1 113 113 ILE CG2 C 13 17.2 0.2 . 1 . . . . . . . . 5483 1 1252 . 1 1 113 113 ILE HG12 H 1 0.244 0.02 . 2 . . . . . . . . 5483 1 1253 . 1 1 113 113 ILE HG13 H 1 1.162 0.02 . 2 . . . . . . . . 5483 1 1254 . 1 1 113 113 ILE HD11 H 1 0.342 0.02 . 1 . . . . . . . . 5483 1 1255 . 1 1 113 113 ILE HD12 H 1 0.342 0.02 . 1 . . . . . . . . 5483 1 1256 . 1 1 113 113 ILE HD13 H 1 0.342 0.02 . 1 . . . . . . . . 5483 1 1257 . 1 1 113 113 ILE CD1 C 13 14.4 0.2 . 1 . . . . . . . . 5483 1 1258 . 1 1 113 113 ILE C C 13 173.7 0.2 . 1 . . . . . . . . 5483 1 1259 . 1 1 114 114 GLY N N 15 118.5 0.2 . 1 . . . . . . . . 5483 1 1260 . 1 1 114 114 GLY H H 1 10.746 0.02 . 1 . . . . . . . . 5483 1 1261 . 1 1 114 114 GLY CA C 13 43.9 0.2 . 1 . . . . . . . . 5483 1 1262 . 1 1 114 114 GLY HA2 H 1 1.775 0.02 . 1 . . . . . . . . 5483 1 1263 . 1 1 114 114 GLY HA3 H 1 4.824 0.02 . 1 . . . . . . . . 5483 1 1264 . 1 1 114 114 GLY C C 13 172.4 0.2 . 1 . . . . . . . . 5483 1 1265 . 1 1 115 115 ILE N N 15 125.7 0.2 . 1 . . . . . . . . 5483 1 1266 . 1 1 115 115 ILE H H 1 8.753 0.02 . 1 . . . . . . . . 5483 1 1267 . 1 1 115 115 ILE CA C 13 59.8 0.2 . 1 . . . . . . . . 5483 1 1268 . 1 1 115 115 ILE HA H 1 4.642 0.02 . 1 . . . . . . . . 5483 1 1269 . 1 1 115 115 ILE CB C 13 40.3 0.2 . 1 . . . . . . . . 5483 1 1270 . 1 1 115 115 ILE HB H 1 1.521 0.02 . 1 . . . . . . . . 5483 1 1271 . 1 1 115 115 ILE HG21 H 1 0.627 0.02 . 1 . . . . . . . . 5483 1 1272 . 1 1 115 115 ILE HG22 H 1 0.627 0.02 . 1 . . . . . . . . 5483 1 1273 . 1 1 115 115 ILE HG23 H 1 0.627 0.02 . 1 . . . . . . . . 5483 1 1274 . 1 1 115 115 ILE CG2 C 13 16.7 0.2 . 1 . . . . . . . . 5483 1 1275 . 1 1 115 115 ILE HG12 H 1 1.027 0.02 . 2 . . . . . . . . 5483 1 1276 . 1 1 115 115 ILE HG13 H 1 1.340 0.02 . 2 . . . . . . . . 5483 1 1277 . 1 1 115 115 ILE HD11 H 1 0.629 0.02 . 1 . . . . . . . . 5483 1 1278 . 1 1 115 115 ILE HD12 H 1 0.629 0.02 . 1 . . . . . . . . 5483 1 1279 . 1 1 115 115 ILE HD13 H 1 0.629 0.02 . 1 . . . . . . . . 5483 1 1280 . 1 1 115 115 ILE CD1 C 13 12.9 0.2 . 1 . . . . . . . . 5483 1 1281 . 1 1 115 115 ILE C C 13 174.0 0.2 . 1 . . . . . . . . 5483 1 1282 . 1 1 116 116 GLU N N 15 124.1 0.2 . 1 . . . . . . . . 5483 1 1283 . 1 1 116 116 GLU H H 1 9.022 0.02 . 1 . . . . . . . . 5483 1 1284 . 1 1 116 116 GLU CA C 13 54.2 0.2 . 1 . . . . . . . . 5483 1 1285 . 1 1 116 116 GLU HA H 1 4.216 0.02 . 1 . . . . . . . . 5483 1 1286 . 1 1 116 116 GLU HB2 H 1 1.901 0.02 . 1 . . . . . . . . 5483 1 1287 . 1 1 116 116 GLU HB3 H 1 1.920 0.02 . 1 . . . . . . . . 5483 1 1288 . 1 1 116 116 GLU HG2 H 1 2.347 0.02 . 1 . . . . . . . . 5483 1 1289 . 1 1 116 116 GLU HG3 H 1 2.347 0.02 . 1 . . . . . . . . 5483 1 1290 . 1 1 116 116 GLU C C 13 173.7 0.2 . 1 . . . . . . . . 5483 1 1291 . 1 1 117 117 LEU N N 15 123.5 0.2 . 1 . . . . . . . . 5483 1 1292 . 1 1 117 117 LEU H H 1 8.382 0.02 . 1 . . . . . . . . 5483 1 1293 . 1 1 117 117 LEU CA C 13 53.2 0.2 . 1 . . . . . . . . 5483 1 1294 . 1 1 117 117 LEU HA H 1 4.745 0.02 . 1 . . . . . . . . 5483 1 1295 . 1 1 117 117 LEU HB2 H 1 1.191 0.02 . 1 . . . . . . . . 5483 1 1296 . 1 1 117 117 LEU HB3 H 1 1.778 0.02 . 1 . . . . . . . . 5483 1 1297 . 1 1 117 117 LEU HG H 1 1.357 0.02 . 1 . . . . . . . . 5483 1 1298 . 1 1 117 117 LEU HD11 H 1 -0.064 0.02 . 1 . . . . . . . . 5483 1 1299 . 1 1 117 117 LEU HD12 H 1 -0.064 0.02 . 1 . . . . . . . . 5483 1 1300 . 1 1 117 117 LEU HD13 H 1 -0.064 0.02 . 1 . . . . . . . . 5483 1 1301 . 1 1 117 117 LEU HD21 H 1 0.449 0.02 . 1 . . . . . . . . 5483 1 1302 . 1 1 117 117 LEU HD22 H 1 0.449 0.02 . 1 . . . . . . . . 5483 1 1303 . 1 1 117 117 LEU HD23 H 1 0.449 0.02 . 1 . . . . . . . . 5483 1 1304 . 1 1 117 117 LEU CD1 C 13 25.7 0.2 . 1 . . . . . . . . 5483 1 1305 . 1 1 117 117 LEU CD2 C 13 24.3 0.2 . 1 . . . . . . . . 5483 1 1306 . 1 1 117 117 LEU C C 13 173.1 0.2 . 1 . . . . . . . . 5483 1 1307 . 1 1 118 118 GLU N N 15 123.8 0.2 . 1 . . . . . . . . 5483 1 1308 . 1 1 118 118 GLU H H 1 7.727 0.02 . 1 . . . . . . . . 5483 1 1309 . 1 1 118 118 GLU CA C 13 55.8 0.2 . 1 . . . . . . . . 5483 1 1310 . 1 1 118 118 GLU HA H 1 5.077 0.02 . 1 . . . . . . . . 5483 1 1311 . 1 1 118 118 GLU HB2 H 1 1.591 0.02 . 2 . . . . . . . . 5483 1 1312 . 1 1 118 118 GLU HB3 H 1 2.031 0.005 . 2 . . . . . . . . 5483 1 1313 . 1 1 118 118 GLU HG2 H 1 2.206 0.02 . 1 . . . . . . . . 5483 1 1314 . 1 1 118 118 GLU HG3 H 1 2.206 0.02 . 1 . . . . . . . . 5483 1 1315 . 1 1 118 118 GLU C C 13 177.4 0.2 . 1 . . . . . . . . 5483 1 1316 . 1 1 119 119 GLY N N 15 115.8 0.2 . 1 . . . . . . . . 5483 1 1317 . 1 1 119 119 GLY H H 1 8.681 0.02 . 1 . . . . . . . . 5483 1 1318 . 1 1 119 119 GLY CA C 13 46.7 0.2 . 1 . . . . . . . . 5483 1 1319 . 1 1 119 119 GLY HA2 H 1 3.800 0.02 . 1 . . . . . . . . 5483 1 1320 . 1 1 119 119 GLY HA3 H 1 4.259 0.02 . 1 . . . . . . . . 5483 1 1321 . 1 1 119 119 GLY C C 13 170.5 0.2 . 1 . . . . . . . . 5483 1 1322 . 1 1 120 120 THR N N 15 108.6 0.2 . 1 . . . . . . . . 5483 1 1323 . 1 1 120 120 THR H H 1 8.269 0.02 . 1 . . . . . . . . 5483 1 1324 . 1 1 120 120 THR CA C 13 59.2 0.2 . 1 . . . . . . . . 5483 1 1325 . 1 1 120 120 THR HA H 1 4.692 0.02 . 1 . . . . . . . . 5483 1 1326 . 1 1 120 120 THR HB H 1 4.533 0.02 . 1 . . . . . . . . 5483 1 1327 . 1 1 120 120 THR HG21 H 1 1.157 0.02 . 1 . . . . . . . . 5483 1 1328 . 1 1 120 120 THR HG22 H 1 1.157 0.02 . 1 . . . . . . . . 5483 1 1329 . 1 1 120 120 THR HG23 H 1 1.157 0.02 . 1 . . . . . . . . 5483 1 1330 . 1 1 120 120 THR CG2 C 13 22.0 0.2 . 1 . . . . . . . . 5483 1 1331 . 1 1 120 120 THR C C 13 173.1 0.2 . 1 . . . . . . . . 5483 1 1332 . 1 1 121 121 ASP N N 15 114.7 0.2 . 1 . . . . . . . . 5483 1 1333 . 1 1 121 121 ASP H H 1 8.363 0.02 . 1 . . . . . . . . 5483 1 1334 . 1 1 121 121 ASP CA C 13 55.7 0.2 . 1 . . . . . . . . 5483 1 1335 . 1 1 121 121 ASP HA H 1 4.530 0.02 . 1 . . . . . . . . 5483 1 1336 . 1 1 121 121 ASP CB C 13 42.3 0.2 . 1 . . . . . . . . 5483 1 1337 . 1 1 121 121 ASP HB3 H 1 2.754 0.02 . 1 . . . . . . . . 5483 1 1338 . 1 1 121 121 ASP HB2 H 1 2.888 0.02 . 1 . . . . . . . . 5483 1 1339 . 1 1 121 121 ASP C C 13 176.4 0.2 . 1 . . . . . . . . 5483 1 1340 . 1 1 122 122 THR N N 15 101.0 0.2 . 1 . . . . . . . . 5483 1 1341 . 1 1 122 122 THR H H 1 7.360 0.02 . 1 . . . . . . . . 5483 1 1342 . 1 1 122 122 THR CA C 13 60.7 0.2 . 1 . . . . . . . . 5483 1 1343 . 1 1 122 122 THR HA H 1 4.520 0.02 . 1 . . . . . . . . 5483 1 1344 . 1 1 122 122 THR CB C 13 68.4 0.2 . 1 . . . . . . . . 5483 1 1345 . 1 1 122 122 THR HB H 1 4.374 0.02 . 1 . . . . . . . . 5483 1 1346 . 1 1 122 122 THR HG21 H 1 1.115 0.02 . 1 . . . . . . . . 5483 1 1347 . 1 1 122 122 THR HG22 H 1 1.115 0.02 . 1 . . . . . . . . 5483 1 1348 . 1 1 122 122 THR HG23 H 1 1.115 0.02 . 1 . . . . . . . . 5483 1 1349 . 1 1 122 122 THR CG2 C 13 21.8 0.2 . 1 . . . . . . . . 5483 1 1350 . 1 1 122 122 THR C C 13 174.1 0.2 . 1 . . . . . . . . 5483 1 1351 . 1 1 123 123 LEU N N 15 125.7 0.2 . 1 . . . . . . . . 5483 1 1352 . 1 1 123 123 LEU H H 1 6.944 0.02 . 1 . . . . . . . . 5483 1 1353 . 1 1 123 123 LEU CA C 13 53.3 0.2 . 1 . . . . . . . . 5483 1 1354 . 1 1 123 123 LEU HA H 1 4.539 0.02 . 1 . . . . . . . . 5483 1 1355 . 1 1 123 123 LEU CB C 13 45.0 0.2 . 1 . . . . . . . . 5483 1 1356 . 1 1 123 123 LEU HB2 H 1 1.370 0.02 . 1 . . . . . . . . 5483 1 1357 . 1 1 123 123 LEU HB3 H 1 1.471 0.02 . 1 . . . . . . . . 5483 1 1358 . 1 1 123 123 LEU HG H 1 1.635 0.02 . 1 . . . . . . . . 5483 1 1359 . 1 1 123 123 LEU CD1 C 13 23.9 0.2 . 2 . . . . . . . . 5483 1 1360 . 1 1 123 123 LEU CD2 C 13 25.5 0.2 . 2 . . . . . . . . 5483 1 1361 . 1 1 123 123 LEU HD11 H 1 0.937 0.02 . 1 . . . . . . . . 5483 1 1362 . 1 1 123 123 LEU HD12 H 1 0.937 0.02 . 1 . . . . . . . . 5483 1 1363 . 1 1 123 123 LEU HD13 H 1 0.937 0.02 . 1 . . . . . . . . 5483 1 1364 . 1 1 123 123 LEU HD21 H 1 0.937 0.02 . 1 . . . . . . . . 5483 1 1365 . 1 1 123 123 LEU HD22 H 1 0.937 0.02 . 1 . . . . . . . . 5483 1 1366 . 1 1 123 123 LEU HD23 H 1 0.937 0.02 . 1 . . . . . . . . 5483 1 1367 . 1 1 123 123 LEU C C 13 176.5 0.2 . 1 . . . . . . . . 5483 1 1368 . 1 1 124 124 ALA N N 15 127.6 0.2 . 1 . . . . . . . . 5483 1 1369 . 1 1 124 124 ALA H H 1 8.524 0.02 . 1 . . . . . . . . 5483 1 1370 . 1 1 124 124 ALA CA C 13 53.4 0.2 . 1 . . . . . . . . 5483 1 1371 . 1 1 124 124 ALA HA H 1 4.142 0.02 . 1 . . . . . . . . 5483 1 1372 . 1 1 124 124 ALA HB1 H 1 1.466 0.02 . 1 . . . . . . . . 5483 1 1373 . 1 1 124 124 ALA HB2 H 1 1.466 0.02 . 1 . . . . . . . . 5483 1 1374 . 1 1 124 124 ALA HB3 H 1 1.466 0.02 . 1 . . . . . . . . 5483 1 1375 . 1 1 124 124 ALA CB C 13 18.4 0.2 . 1 . . . . . . . . 5483 1 1376 . 1 1 124 124 ALA C C 13 176.2 0.2 . 1 . . . . . . . . 5483 1 1377 . 1 1 125 125 TYR N N 15 122.3 0.2 . 1 . . . . . . . . 5483 1 1378 . 1 1 125 125 TYR H H 1 8.445 0.02 . 1 . . . . . . . . 5483 1 1379 . 1 1 125 125 TYR CA C 13 58.0 0.2 . 1 . . . . . . . . 5483 1 1380 . 1 1 125 125 TYR HA H 1 4.478 0.02 . 1 . . . . . . . . 5483 1 1381 . 1 1 125 125 TYR CB C 13 38.5 0.2 . 1 . . . . . . . . 5483 1 1382 . 1 1 125 125 TYR HB2 H 1 2.529 0.02 . 1 . . . . . . . . 5483 1 1383 . 1 1 125 125 TYR HB3 H 1 2.858 0.02 . 1 . . . . . . . . 5483 1 1384 . 1 1 125 125 TYR CD1 C 13 133.8 0.2 . 1 . . . . . . . . 5483 1 1385 . 1 1 125 125 TYR HD1 H 1 7.127 0.02 . 1 . . . . . . . . 5483 1 1386 . 1 1 125 125 TYR CE1 C 13 118.2 0.2 . 1 . . . . . . . . 5483 1 1387 . 1 1 125 125 TYR HE1 H 1 6.699 0.02 . 1 . . . . . . . . 5483 1 1388 . 1 1 125 125 TYR CE2 C 13 118.2 0.2 . 1 . . . . . . . . 5483 1 1389 . 1 1 125 125 TYR HE2 H 1 6.699 0.02 . 1 . . . . . . . . 5483 1 1390 . 1 1 125 125 TYR CD2 C 13 133.8 0.2 . 1 . . . . . . . . 5483 1 1391 . 1 1 125 125 TYR HD2 H 1 7.127 0.02 . 1 . . . . . . . . 5483 1 1392 . 1 1 125 125 TYR C C 13 176.0 0.2 . 1 . . . . . . . . 5483 1 1393 . 1 1 126 126 THR N N 15 112.2 0.2 . 1 . . . . . . . . 5483 1 1394 . 1 1 126 126 THR H H 1 9.122 0.02 . 1 . . . . . . . . 5483 1 1395 . 1 1 126 126 THR CA C 13 61.2 0.2 . 1 . . . . . . . . 5483 1 1396 . 1 1 126 126 THR HA H 1 4.465 0.02 . 1 . . . . . . . . 5483 1 1397 . 1 1 126 126 THR CB C 13 70.5 0.2 . 1 . . . . . . . . 5483 1 1398 . 1 1 126 126 THR HB H 1 4.819 0.02 . 1 . . . . . . . . 5483 1 1399 . 1 1 126 126 THR HG21 H 1 1.294 0.02 . 1 . . . . . . . . 5483 1 1400 . 1 1 126 126 THR HG22 H 1 1.294 0.02 . 1 . . . . . . . . 5483 1 1401 . 1 1 126 126 THR HG23 H 1 1.294 0.02 . 1 . . . . . . . . 5483 1 1402 . 1 1 126 126 THR HG1 H 1 5.194 0.02 . 1 . . . . . . . . 5483 1 1403 . 1 1 126 126 THR CG2 C 13 21.4 0.2 . 1 . . . . . . . . 5483 1 1404 . 1 1 126 126 THR C C 13 175.7 0.2 . 1 . . . . . . . . 5483 1 1405 . 1 1 127 127 ASP N N 15 121.2 0.2 . 1 . . . . . . . . 5483 1 1406 . 1 1 127 127 ASP H H 1 8.940 0.02 . 1 . . . . . . . . 5483 1 1407 . 1 1 127 127 ASP CA C 13 58.4 0.2 . 1 . . . . . . . . 5483 1 1408 . 1 1 127 127 ASP HA H 1 4.511 0.02 . 1 . . . . . . . . 5483 1 1409 . 1 1 127 127 ASP CB C 13 41.0 0.2 . 1 . . . . . . . . 5483 1 1410 . 1 1 127 127 ASP HB2 H 1 2.691 0.02 . 1 . . . . . . . . 5483 1 1411 . 1 1 127 127 ASP HB3 H 1 2.749 0.02 . 1 . . . . . . . . 5483 1 1412 . 1 1 127 127 ASP C C 13 178.9 0.2 . 1 . . . . . . . . 5483 1 1413 . 1 1 128 128 ALA N N 15 120.3 0.2 . 1 . . . . . . . . 5483 1 1414 . 1 1 128 128 ALA H H 1 8.477 0.02 . 1 . . . . . . . . 5483 1 1415 . 1 1 128 128 ALA CA C 13 54.7 0.2 . 1 . . . . . . . . 5483 1 1416 . 1 1 128 128 ALA HA H 1 4.127 0.02 . 1 . . . . . . . . 5483 1 1417 . 1 1 128 128 ALA HB1 H 1 1.220 0.02 . 1 . . . . . . . . 5483 1 1418 . 1 1 128 128 ALA HB2 H 1 1.220 0.02 . 1 . . . . . . . . 5483 1 1419 . 1 1 128 128 ALA HB3 H 1 1.220 0.02 . 1 . . . . . . . . 5483 1 1420 . 1 1 128 128 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 5483 1 1421 . 1 1 128 128 ALA C C 13 180.0 0.2 . 1 . . . . . . . . 5483 1 1422 . 1 1 129 129 GLN N N 15 115.9 0.2 . 1 . . . . . . . . 5483 1 1423 . 1 1 129 129 GLN H H 1 7.677 0.02 . 1 . . . . . . . . 5483 1 1424 . 1 1 129 129 GLN CA C 13 60.7 0.2 . 1 . . . . . . . . 5483 1 1425 . 1 1 129 129 GLN HA H 1 3.710 0.02 . 1 . . . . . . . . 5483 1 1426 . 1 1 129 129 GLN HB2 H 1 1.926 0.02 . 1 . . . . . . . . 5483 1 1427 . 1 1 129 129 GLN HB3 H 1 2.672 0.02 . 1 . . . . . . . . 5483 1 1428 . 1 1 129 129 GLN HG2 H 1 2.582 0.02 . 2 . . . . . . . . 5483 1 1429 . 1 1 129 129 GLN HG3 H 1 2.657 0.02 . 2 . . . . . . . . 5483 1 1430 . 1 1 129 129 GLN HE21 H 1 6.724 0.02 . 2 . . . . . . . . 5483 1 1431 . 1 1 129 129 GLN HE22 H 1 6.927 0.02 . 2 . . . . . . . . 5483 1 1432 . 1 1 129 129 GLN C C 13 178.2 0.2 . 1 . . . . . . . . 5483 1 1433 . 1 1 130 130 TYR N N 15 116.2 0.2 . 1 . . . . . . . . 5483 1 1434 . 1 1 130 130 TYR H H 1 7.673 0.02 . 1 . . . . . . . . 5483 1 1435 . 1 1 130 130 TYR CA C 13 64.7 0.2 . 1 . . . . . . . . 5483 1 1436 . 1 1 130 130 TYR HA H 1 3.750 0.02 . 1 . . . . . . . . 5483 1 1437 . 1 1 130 130 TYR CB C 13 39.3 0.2 . 1 . . . . . . . . 5483 1 1438 . 1 1 130 130 TYR HB2 H 1 2.740 0.02 . 1 . . . . . . . . 5483 1 1439 . 1 1 130 130 TYR HB3 H 1 2.917 0.02 . 1 . . . . . . . . 5483 1 1440 . 1 1 130 130 TYR CD1 C 13 132.0 0.2 . 1 . . . . . . . . 5483 1 1441 . 1 1 130 130 TYR HD1 H 1 6.831 0.02 . 1 . . . . . . . . 5483 1 1442 . 1 1 130 130 TYR CE1 C 13 118.0 0.2 . 1 . . . . . . . . 5483 1 1443 . 1 1 130 130 TYR HE1 H 1 6.253 0.02 . 1 . . . . . . . . 5483 1 1444 . 1 1 130 130 TYR CE2 C 13 118.0 0.2 . 1 . . . . . . . . 5483 1 1445 . 1 1 130 130 TYR HE2 H 1 6.253 0.02 . 1 . . . . . . . . 5483 1 1446 . 1 1 130 130 TYR CD2 C 13 132.0 0.2 . 1 . . . . . . . . 5483 1 1447 . 1 1 130 130 TYR HD2 H 1 6.831 0.02 . 1 . . . . . . . . 5483 1 1448 . 1 1 130 130 TYR HH H 1 10.350 0.02 . 1 . . . . . . . . 5483 1 1449 . 1 1 130 130 TYR C C 13 177.8 0.2 . 1 . . . . . . . . 5483 1 1450 . 1 1 131 131 GLN N N 15 116.3 0.2 . 1 . . . . . . . . 5483 1 1451 . 1 1 131 131 GLN H H 1 8.134 0.02 . 1 . . . . . . . . 5483 1 1452 . 1 1 131 131 GLN CA C 13 59.3 0.2 . 1 . . . . . . . . 5483 1 1453 . 1 1 131 131 GLN HA H 1 3.973 0.02 . 1 . . . . . . . . 5483 1 1454 . 1 1 131 131 GLN CB C 13 29.9 0.2 . 1 . . . . . . . . 5483 1 1455 . 1 1 131 131 GLN HB2 H 1 2.174 0.02 . 1 . . . . . . . . 5483 1 1456 . 1 1 131 131 GLN HB3 H 1 2.211 0.02 . 1 . . . . . . . . 5483 1 1457 . 1 1 131 131 GLN HG2 H 1 2.426 0.02 . 2 . . . . . . . . 5483 1 1458 . 1 1 131 131 GLN HG3 H 1 2.492 0.02 . 2 . . . . . . . . 5483 1 1459 . 1 1 131 131 GLN NE2 N 15 110.8 0.2 . 1 . . . . . . . . 5483 1 1460 . 1 1 131 131 GLN HE22 H 1 6.751 0.02 . 1 . . . . . . . . 5483 1 1461 . 1 1 131 131 GLN HE21 H 1 7.405 0.02 . 1 . . . . . . . . 5483 1 1462 . 1 1 131 131 GLN C C 13 179.9 0.2 . 1 . . . . . . . . 5483 1 1463 . 1 1 132 132 GLN N N 15 118.6 0.2 . 1 . . . . . . . . 5483 1 1464 . 1 1 132 132 GLN H H 1 8.666 0.02 . 1 . . . . . . . . 5483 1 1465 . 1 1 132 132 GLN CA C 13 57.6 0.2 . 1 . . . . . . . . 5483 1 1466 . 1 1 132 132 GLN HA H 1 4.757 0.02 . 1 . . . . . . . . 5483 1 1467 . 1 1 132 132 GLN CB C 13 31.9 0.2 . 1 . . . . . . . . 5483 1 1468 . 1 1 132 132 GLN HB2 H 1 1.878 0.02 . 1 . . . . . . . . 5483 1 1469 . 1 1 132 132 GLN HB3 H 1 2.089 0.02 . 1 . . . . . . . . 5483 1 1470 . 1 1 132 132 GLN HG2 H 1 2.514 0.02 . 2 . . . . . . . . 5483 1 1471 . 1 1 132 132 GLN HG3 H 1 2.774 0.02 . 2 . . . . . . . . 5483 1 1472 . 1 1 132 132 GLN NE2 N 15 110.9 0.2 . 1 . . . . . . . . 5483 1 1473 . 1 1 132 132 GLN HE22 H 1 6.588 0.02 . 1 . . . . . . . . 5483 1 1474 . 1 1 132 132 GLN HE21 H 1 7.629 0.02 . 1 . . . . . . . . 5483 1 1475 . 1 1 132 132 GLN C C 13 178.2 0.2 . 1 . . . . . . . . 5483 1 1476 . 1 1 133 133 LEU N N 15 121.1 0.2 . 1 . . . . . . . . 5483 1 1477 . 1 1 133 133 LEU H H 1 8.796 0.02 . 1 . . . . . . . . 5483 1 1478 . 1 1 133 133 LEU CA C 13 58.0 0.2 . 1 . . . . . . . . 5483 1 1479 . 1 1 133 133 LEU HA H 1 3.871 0.02 . 1 . . . . . . . . 5483 1 1480 . 1 1 133 133 LEU HB2 H 1 1.263 0.02 . 1 . . . . . . . . 5483 1 1481 . 1 1 133 133 LEU HB3 H 1 1.805 0.02 . 1 . . . . . . . . 5483 1 1482 . 1 1 133 133 LEU HG H 1 1.318 0.02 . 1 . . . . . . . . 5483 1 1483 . 1 1 133 133 LEU HD11 H 1 -0.107 0.02 . 1 . . . . . . . . 5483 1 1484 . 1 1 133 133 LEU HD12 H 1 -0.107 0.02 . 1 . . . . . . . . 5483 1 1485 . 1 1 133 133 LEU HD13 H 1 -0.107 0.02 . 1 . . . . . . . . 5483 1 1486 . 1 1 133 133 LEU HD21 H 1 0.543 0.02 . 1 . . . . . . . . 5483 1 1487 . 1 1 133 133 LEU HD22 H 1 0.543 0.02 . 1 . . . . . . . . 5483 1 1488 . 1 1 133 133 LEU HD23 H 1 0.543 0.02 . 1 . . . . . . . . 5483 1 1489 . 1 1 133 133 LEU CD1 C 13 22.3 0.2 . 1 . . . . . . . . 5483 1 1490 . 1 1 133 133 LEU CD2 C 13 25.4 0.2 . 1 . . . . . . . . 5483 1 1491 . 1 1 133 133 LEU C C 13 180.7 0.2 . 1 . . . . . . . . 5483 1 1492 . 1 1 134 134 ALA N N 15 123.2 0.2 . 1 . . . . . . . . 5483 1 1493 . 1 1 134 134 ALA H H 1 8.462 0.02 . 1 . . . . . . . . 5483 1 1494 . 1 1 134 134 ALA CA C 13 56.0 0.2 . 1 . . . . . . . . 5483 1 1495 . 1 1 134 134 ALA HA H 1 4.084 0.02 . 1 . . . . . . . . 5483 1 1496 . 1 1 134 134 ALA HB1 H 1 1.556 0.02 . 1 . . . . . . . . 5483 1 1497 . 1 1 134 134 ALA HB2 H 1 1.556 0.02 . 1 . . . . . . . . 5483 1 1498 . 1 1 134 134 ALA HB3 H 1 1.556 0.02 . 1 . . . . . . . . 5483 1 1499 . 1 1 134 134 ALA CB C 13 19.3 0.2 . 1 . . . . . . . . 5483 1 1500 . 1 1 134 134 ALA C C 13 177.6 0.2 . 1 . . . . . . . . 5483 1 1501 . 1 1 135 135 ALA N N 15 121.6 0.2 . 1 . . . . . . . . 5483 1 1502 . 1 1 135 135 ALA H H 1 8.045 0.02 . 1 . . . . . . . . 5483 1 1503 . 1 1 135 135 ALA CA C 13 56.0 0.2 . 1 . . . . . . . . 5483 1 1504 . 1 1 135 135 ALA HA H 1 4.227 0.02 . 1 . . . . . . . . 5483 1 1505 . 1 1 135 135 ALA HB1 H 1 1.615 0.02 . 1 . . . . . . . . 5483 1 1506 . 1 1 135 135 ALA HB2 H 1 1.615 0.02 . 1 . . . . . . . . 5483 1 1507 . 1 1 135 135 ALA HB3 H 1 1.615 0.02 . 1 . . . . . . . . 5483 1 1508 . 1 1 135 135 ALA CB C 13 18.1 0.2 . 1 . . . . . . . . 5483 1 1509 . 1 1 135 135 ALA C C 13 181.7 0.2 . 1 . . . . . . . . 5483 1 1510 . 1 1 136 136 VAL N N 15 119.1 0.2 . 1 . . . . . . . . 5483 1 1511 . 1 1 136 136 VAL H H 1 8.739 0.02 . 1 . . . . . . . . 5483 1 1512 . 1 1 136 136 VAL CA C 13 66.7 0.2 . 1 . . . . . . . . 5483 1 1513 . 1 1 136 136 VAL HA H 1 3.544 0.02 . 1 . . . . . . . . 5483 1 1514 . 1 1 136 136 VAL CB C 13 33.5 0.2 . 1 . . . . . . . . 5483 1 1515 . 1 1 136 136 VAL HB H 1 2.123 0.02 . 1 . . . . . . . . 5483 1 1516 . 1 1 136 136 VAL HG11 H 1 0.872 0.02 . 1 . . . . . . . . 5483 1 1517 . 1 1 136 136 VAL HG12 H 1 0.872 0.02 . 1 . . . . . . . . 5483 1 1518 . 1 1 136 136 VAL HG13 H 1 0.872 0.02 . 1 . . . . . . . . 5483 1 1519 . 1 1 136 136 VAL HG21 H 1 1.121 0.02 . 1 . . . . . . . . 5483 1 1520 . 1 1 136 136 VAL HG22 H 1 1.121 0.02 . 1 . . . . . . . . 5483 1 1521 . 1 1 136 136 VAL HG23 H 1 1.121 0.02 . 1 . . . . . . . . 5483 1 1522 . 1 1 136 136 VAL CG1 C 13 21.4 0.2 . 1 . . . . . . . . 5483 1 1523 . 1 1 136 136 VAL CG2 C 13 24.1 0.2 . 1 . . . . . . . . 5483 1 1524 . 1 1 136 136 VAL C C 13 177.3 0.2 . 1 . . . . . . . . 5483 1 1525 . 1 1 137 137 THR N N 15 118.0 0.2 . 1 . . . . . . . . 5483 1 1526 . 1 1 137 137 THR H H 1 8.414 0.02 . 1 . . . . . . . . 5483 1 1527 . 1 1 137 137 THR CA C 13 69.1 0.2 . 1 . . . . . . . . 5483 1 1528 . 1 1 137 137 THR HA H 1 3.501 0.02 . 1 . . . . . . . . 5483 1 1529 . 1 1 137 137 THR CB C 13 68.6 0.2 . 1 . . . . . . . . 5483 1 1530 . 1 1 137 137 THR HB H 1 4.224 0.02 . 1 . . . . . . . . 5483 1 1531 . 1 1 137 137 THR HG21 H 1 1.194 0.02 . 1 . . . . . . . . 5483 1 1532 . 1 1 137 137 THR HG22 H 1 1.194 0.02 . 1 . . . . . . . . 5483 1 1533 . 1 1 137 137 THR HG23 H 1 1.194 0.02 . 1 . . . . . . . . 5483 1 1534 . 1 1 137 137 THR CG2 C 13 22.1 0.2 . 1 . . . . . . . . 5483 1 1535 . 1 1 137 137 THR C C 13 175.7 0.2 . 1 . . . . . . . . 5483 1 1536 . 1 1 138 138 ASN N N 15 119.4 0.2 . 1 . . . . . . . . 5483 1 1537 . 1 1 138 138 ASN H H 1 8.987 0.02 . 1 . . . . . . . . 5483 1 1538 . 1 1 138 138 ASN CA C 13 56.5 0.2 . 1 . . . . . . . . 5483 1 1539 . 1 1 138 138 ASN HA H 1 4.457 0.02 . 1 . . . . . . . . 5483 1 1540 . 1 1 138 138 ASN CB C 13 38.7 0.2 . 1 . . . . . . . . 5483 1 1541 . 1 1 138 138 ASN HB2 H 1 2.660 0.02 . 1 . . . . . . . . 5483 1 1542 . 1 1 138 138 ASN HB3 H 1 2.805 0.02 . 1 . . . . . . . . 5483 1 1543 . 1 1 138 138 ASN ND2 N 15 108.5 0.2 . 1 . . . . . . . . 5483 1 1544 . 1 1 138 138 ASN HD22 H 1 6.723 0.02 . 1 . . . . . . . . 5483 1 1545 . 1 1 138 138 ASN HD21 H 1 7.124 0.02 . 1 . . . . . . . . 5483 1 1546 . 1 1 138 138 ASN C C 13 178.3 0.2 . 1 . . . . . . . . 5483 1 1547 . 1 1 139 139 ALA N N 15 122.7 0.2 . 1 . . . . . . . . 5483 1 1548 . 1 1 139 139 ALA H H 1 7.532 0.02 . 1 . . . . . . . . 5483 1 1549 . 1 1 139 139 ALA CA C 13 55.0 0.2 . 1 . . . . . . . . 5483 1 1550 . 1 1 139 139 ALA HA H 1 4.216 0.02 . 1 . . . . . . . . 5483 1 1551 . 1 1 139 139 ALA HB1 H 1 1.375 0.02 . 1 . . . . . . . . 5483 1 1552 . 1 1 139 139 ALA HB2 H 1 1.375 0.02 . 1 . . . . . . . . 5483 1 1553 . 1 1 139 139 ALA HB3 H 1 1.375 0.02 . 1 . . . . . . . . 5483 1 1554 . 1 1 139 139 ALA CB C 13 17.5 0.2 . 1 . . . . . . . . 5483 1 1555 . 1 1 139 139 ALA C C 13 180.6 0.2 . 1 . . . . . . . . 5483 1 1556 . 1 1 140 140 LEU N N 15 119.3 0.2 . 1 . . . . . . . . 5483 1 1557 . 1 1 140 140 LEU H H 1 8.400 0.02 . 1 . . . . . . . . 5483 1 1558 . 1 1 140 140 LEU CA C 13 57.9 0.2 . 1 . . . . . . . . 5483 1 1559 . 1 1 140 140 LEU HA H 1 3.727 0.02 . 1 . . . . . . . . 5483 1 1560 . 1 1 140 140 LEU CB C 13 42.8 0.2 . 1 . . . . . . . . 5483 1 1561 . 1 1 140 140 LEU HB2 H 1 1.014 0.02 . 1 . . . . . . . . 5483 1 1562 . 1 1 140 140 LEU HB3 H 1 2.162 0.02 . 1 . . . . . . . . 5483 1 1563 . 1 1 140 140 LEU HG H 1 1.571 0.02 . 1 . . . . . . . . 5483 1 1564 . 1 1 140 140 LEU HD11 H 1 -0.295 0.02 . 1 . . . . . . . . 5483 1 1565 . 1 1 140 140 LEU HD12 H 1 -0.295 0.02 . 1 . . . . . . . . 5483 1 1566 . 1 1 140 140 LEU HD13 H 1 -0.295 0.02 . 1 . . . . . . . . 5483 1 1567 . 1 1 140 140 LEU HD21 H 1 0.374 0.02 . 1 . . . . . . . . 5483 1 1568 . 1 1 140 140 LEU HD22 H 1 0.374 0.02 . 1 . . . . . . . . 5483 1 1569 . 1 1 140 140 LEU HD23 H 1 0.374 0.02 . 1 . . . . . . . . 5483 1 1570 . 1 1 140 140 LEU CD1 C 13 25.8 0.2 . 1 . . . . . . . . 5483 1 1571 . 1 1 140 140 LEU CD2 C 13 21.0 0.2 . 1 . . . . . . . . 5483 1 1572 . 1 1 140 140 LEU C C 13 179.0 0.2 . 1 . . . . . . . . 5483 1 1573 . 1 1 141 141 ILE N N 15 119.9 0.2 . 1 . . . . . . . . 5483 1 1574 . 1 1 141 141 ILE H H 1 8.443 0.02 . 1 . . . . . . . . 5483 1 1575 . 1 1 141 141 ILE CA C 13 64.4 0.2 . 1 . . . . . . . . 5483 1 1576 . 1 1 141 141 ILE HA H 1 3.638 0.02 . 1 . . . . . . . . 5483 1 1577 . 1 1 141 141 ILE CB C 13 39.8 0.2 . 1 . . . . . . . . 5483 1 1578 . 1 1 141 141 ILE HB H 1 1.797 0.02 . 1 . . . . . . . . 5483 1 1579 . 1 1 141 141 ILE HG21 H 1 0.899 0.02 . 1 . . . . . . . . 5483 1 1580 . 1 1 141 141 ILE HG22 H 1 0.899 0.02 . 1 . . . . . . . . 5483 1 1581 . 1 1 141 141 ILE HG23 H 1 0.899 0.02 . 1 . . . . . . . . 5483 1 1582 . 1 1 141 141 ILE CG2 C 13 17.8 0.2 . 1 . . . . . . . . 5483 1 1583 . 1 1 141 141 ILE HG12 H 1 0.740 0.02 . 2 . . . . . . . . 5483 1 1584 . 1 1 141 141 ILE HG13 H 1 1.747 0.02 . 2 . . . . . . . . 5483 1 1585 . 1 1 141 141 ILE HD11 H 1 0.784 0.02 . 1 . . . . . . . . 5483 1 1586 . 1 1 141 141 ILE HD12 H 1 0.784 0.02 . 1 . . . . . . . . 5483 1 1587 . 1 1 141 141 ILE HD13 H 1 0.784 0.02 . 1 . . . . . . . . 5483 1 1588 . 1 1 141 141 ILE CD1 C 13 14.9 0.2 . 1 . . . . . . . . 5483 1 1589 . 1 1 141 141 ILE C C 13 176.9 0.2 . 1 . . . . . . . . 5483 1 1590 . 1 1 142 142 THR N N 15 111.3 0.2 . 1 . . . . . . . . 5483 1 1591 . 1 1 142 142 THR H H 1 7.195 0.02 . 1 . . . . . . . . 5483 1 1592 . 1 1 142 142 THR CA C 13 65.5 0.2 . 1 . . . . . . . . 5483 1 1593 . 1 1 142 142 THR HA H 1 3.884 0.02 . 1 . . . . . . . . 5483 1 1594 . 1 1 142 142 THR CB C 13 68.4 0.2 . 1 . . . . . . . . 5483 1 1595 . 1 1 142 142 THR HB H 1 4.168 0.02 . 1 . . . . . . . . 5483 1 1596 . 1 1 142 142 THR HG21 H 1 1.286 0.02 . 1 . . . . . . . . 5483 1 1597 . 1 1 142 142 THR HG22 H 1 1.286 0.02 . 1 . . . . . . . . 5483 1 1598 . 1 1 142 142 THR HG23 H 1 1.286 0.02 . 1 . . . . . . . . 5483 1 1599 . 1 1 142 142 THR CG2 C 13 21.6 0.2 . 1 . . . . . . . . 5483 1 1600 . 1 1 142 142 THR C C 13 174.7 0.2 . 1 . . . . . . . . 5483 1 1601 . 1 1 143 143 ARG N N 15 120.1 0.2 . 1 . . . . . . . . 5483 1 1602 . 1 1 143 143 ARG H H 1 6.720 0.02 . 1 . . . . . . . . 5483 1 1603 . 1 1 143 143 ARG CA C 13 55.8 0.2 . 1 . . . . . . . . 5483 1 1604 . 1 1 143 143 ARG HA H 1 4.135 0.02 . 1 . . . . . . . . 5483 1 1605 . 1 1 143 143 ARG CB C 13 32.6 0.2 . 1 . . . . . . . . 5483 1 1606 . 1 1 143 143 ARG HB2 H 1 1.027 0.02 . 1 . . . . . . . . 5483 1 1607 . 1 1 143 143 ARG HB3 H 1 1.288 0.02 . 1 . . . . . . . . 5483 1 1608 . 1 1 143 143 ARG HG2 H 1 0.346 0.02 . 2 . . . . . . . . 5483 1 1609 . 1 1 143 143 ARG HG3 H 1 0.820 0.02 . 2 . . . . . . . . 5483 1 1610 . 1 1 143 143 ARG HD2 H 1 2.864 0.02 . 2 . . . . . . . . 5483 1 1611 . 1 1 143 143 ARG HD3 H 1 2.947 0.02 . 2 . . . . . . . . 5483 1 1612 . 1 1 143 143 ARG HE H 1 6.566 0.02 . 1 . . . . . . . . 5483 1 1613 . 1 1 143 143 ARG C C 13 175.2 0.2 . 1 . . . . . . . . 5483 1 1614 . 1 1 144 144 TYR N N 15 119.9 0.2 . 1 . . . . . . . . 5483 1 1615 . 1 1 144 144 TYR H H 1 8.743 0.02 . 1 . . . . . . . . 5483 1 1616 . 1 1 144 144 TYR CA C 13 54.2 0.2 . 1 . . . . . . . . 5483 1 1617 . 1 1 144 144 TYR HA H 1 5.125 0.02 . 1 . . . . . . . . 5483 1 1618 . 1 1 144 144 TYR HB2 H 1 2.834 0.02 . 1 . . . . . . . . 5483 1 1619 . 1 1 144 144 TYR HB3 H 1 2.951 0.02 . 1 . . . . . . . . 5483 1 1620 . 1 1 144 144 TYR CD1 C 13 133.7 0.2 . 1 . . . . . . . . 5483 1 1621 . 1 1 144 144 TYR HD1 H 1 6.900 0.02 . 1 . . . . . . . . 5483 1 1622 . 1 1 144 144 TYR CE1 C 13 117.1 0.2 . 1 . . . . . . . . 5483 1 1623 . 1 1 144 144 TYR HE1 H 1 6.463 0.02 . 1 . . . . . . . . 5483 1 1624 . 1 1 144 144 TYR CE2 C 13 117.1 0.2 . 1 . . . . . . . . 5483 1 1625 . 1 1 144 144 TYR HE2 H 1 6.463 0.02 . 1 . . . . . . . . 5483 1 1626 . 1 1 144 144 TYR CD2 C 13 133.7 0.2 . 1 . . . . . . . . 5483 1 1627 . 1 1 144 144 TYR HD2 H 1 6.900 0.02 . 1 . . . . . . . . 5483 1 1628 . 1 1 144 144 TYR C C 13 174.6 0.2 . 1 . . . . . . . . 5483 1 1629 . 1 1 145 145 PRO CA C 13 65.0 0.2 . 1 . . . . . . . . 5483 1 1630 . 1 1 145 145 PRO HA H 1 4.574 0.02 . 1 . . . . . . . . 5483 1 1631 . 1 1 145 145 PRO CB C 13 33.3 0.2 . 1 . . . . . . . . 5483 1 1632 . 1 1 145 145 PRO HB2 H 1 1.900 0.02 . 2 . . . . . . . . 5483 1 1633 . 1 1 145 145 PRO HB3 H 1 2.356 0.02 . 2 . . . . . . . . 5483 1 1634 . 1 1 145 145 PRO HG2 H 1 1.811 0.02 . 2 . . . . . . . . 5483 1 1635 . 1 1 145 145 PRO HG3 H 1 1.980 0.02 . 2 . . . . . . . . 5483 1 1636 . 1 1 145 145 PRO HD2 H 1 3.357 0.02 . 2 . . . . . . . . 5483 1 1637 . 1 1 145 145 PRO HD3 H 1 3.759 0.02 . 2 . . . . . . . . 5483 1 1638 . 1 1 145 145 PRO C C 13 179.5 0.2 . 1 . . . . . . . . 5483 1 1639 . 1 1 146 146 ALA N N 15 119.3 0.2 . 1 . . . . . . . . 5483 1 1640 . 1 1 146 146 ALA H H 1 8.486 0.02 . 1 . . . . . . . . 5483 1 1641 . 1 1 146 146 ALA CA C 13 54.4 0.2 . 1 . . . . . . . . 5483 1 1642 . 1 1 146 146 ALA HA H 1 4.223 0.02 . 1 . . . . . . . . 5483 1 1643 . 1 1 146 146 ALA HB1 H 1 1.444 0.02 . 1 . . . . . . . . 5483 1 1644 . 1 1 146 146 ALA HB2 H 1 1.444 0.02 . 1 . . . . . . . . 5483 1 1645 . 1 1 146 146 ALA HB3 H 1 1.444 0.02 . 1 . . . . . . . . 5483 1 1646 . 1 1 146 146 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 5483 1 1647 . 1 1 146 146 ALA C C 13 180.0 0.2 . 1 . . . . . . . . 5483 1 1648 . 1 1 147 147 ILE N N 15 118.5 0.2 . 1 . . . . . . . . 5483 1 1649 . 1 1 147 147 ILE H H 1 8.196 0.02 . 1 . . . . . . . . 5483 1 1650 . 1 1 147 147 ILE CA C 13 64.2 0.2 . 1 . . . . . . . . 5483 1 1651 . 1 1 147 147 ILE HA H 1 3.702 0.02 . 1 . . . . . . . . 5483 1 1652 . 1 1 147 147 ILE CB C 13 38.1 0.2 . 1 . . . . . . . . 5483 1 1653 . 1 1 147 147 ILE HB H 1 1.855 0.02 . 1 . . . . . . . . 5483 1 1654 . 1 1 147 147 ILE HG21 H 1 0.740 0.02 . 1 . . . . . . . . 5483 1 1655 . 1 1 147 147 ILE HG22 H 1 0.740 0.02 . 1 . . . . . . . . 5483 1 1656 . 1 1 147 147 ILE HG23 H 1 0.740 0.02 . 1 . . . . . . . . 5483 1 1657 . 1 1 147 147 ILE CG2 C 13 17.3 0.2 . 1 . . . . . . . . 5483 1 1658 . 1 1 147 147 ILE HG12 H 1 0.875 0.02 . 2 . . . . . . . . 5483 1 1659 . 1 1 147 147 ILE HG13 H 1 1.475 0.02 . 2 . . . . . . . . 5483 1 1660 . 1 1 147 147 ILE HD11 H 1 0.560 0.02 . 1 . . . . . . . . 5483 1 1661 . 1 1 147 147 ILE HD12 H 1 0.560 0.02 . 1 . . . . . . . . 5483 1 1662 . 1 1 147 147 ILE HD13 H 1 0.560 0.02 . 1 . . . . . . . . 5483 1 1663 . 1 1 147 147 ILE CD1 C 13 14.2 0.2 . 1 . . . . . . . . 5483 1 1664 . 1 1 147 147 ILE C C 13 176.3 0.2 . 1 . . . . . . . . 5483 1 1665 . 1 1 148 148 ALA N N 15 118.2 0.2 . 1 . . . . . . . . 5483 1 1666 . 1 1 148 148 ALA H H 1 7.290 0.02 . 1 . . . . . . . . 5483 1 1667 . 1 1 148 148 ALA CA C 13 54.8 0.2 . 1 . . . . . . . . 5483 1 1668 . 1 1 148 148 ALA HA H 1 3.797 0.02 . 1 . . . . . . . . 5483 1 1669 . 1 1 148 148 ALA HB1 H 1 1.391 0.02 . 1 . . . . . . . . 5483 1 1670 . 1 1 148 148 ALA HB2 H 1 1.391 0.02 . 1 . . . . . . . . 5483 1 1671 . 1 1 148 148 ALA HB3 H 1 1.391 0.02 . 1 . . . . . . . . 5483 1 1672 . 1 1 148 148 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 5483 1 1673 . 1 1 148 148 ALA C C 13 178.2 0.2 . 1 . . . . . . . . 5483 1 1674 . 1 1 149 149 ASN N N 15 110.7 0.2 . 1 . . . . . . . . 5483 1 1675 . 1 1 149 149 ASN H H 1 7.321 0.02 . 1 . . . . . . . . 5483 1 1676 . 1 1 149 149 ASN CA C 13 52.8 0.2 . 1 . . . . . . . . 5483 1 1677 . 1 1 149 149 ASN HA H 1 4.917 0.02 . 1 . . . . . . . . 5483 1 1678 . 1 1 149 149 ASN CB C 13 41.5 0.2 . 1 . . . . . . . . 5483 1 1679 . 1 1 149 149 ASN HB2 H 1 2.625 0.02 . 1 . . . . . . . . 5483 1 1680 . 1 1 149 149 ASN HB3 H 1 3.033 0.02 . 1 . . . . . . . . 5483 1 1681 . 1 1 149 149 ASN ND2 N 15 112.9 0.2 . 1 . . . . . . . . 5483 1 1682 . 1 1 149 149 ASN HD22 H 1 6.931 0.02 . 1 . . . . . . . . 5483 1 1683 . 1 1 149 149 ASN HD21 H 1 7.544 0.02 . 1 . . . . . . . . 5483 1 1684 . 1 1 149 149 ASN C C 13 174.7 0.2 . 1 . . . . . . . . 5483 1 1685 . 1 1 150 150 ASN N N 15 120.7 0.2 . 1 . . . . . . . . 5483 1 1686 . 1 1 150 150 ASN H H 1 7.870 0.02 . 1 . . . . . . . . 5483 1 1687 . 1 1 150 150 ASN CA C 13 52.7 0.2 . 1 . . . . . . . . 5483 1 1688 . 1 1 150 150 ASN HA H 1 5.067 0.02 . 1 . . . . . . . . 5483 1 1689 . 1 1 150 150 ASN CB C 13 42.2 0.2 . 1 . . . . . . . . 5483 1 1690 . 1 1 150 150 ASN HB2 H 1 2.318 0.02 . 1 . . . . . . . . 5483 1 1691 . 1 1 150 150 ASN HB3 H 1 3.576 0.02 . 1 . . . . . . . . 5483 1 1692 . 1 1 150 150 ASN ND2 N 15 118.8 0.2 . 1 . . . . . . . . 5483 1 1693 . 1 1 150 150 ASN HD22 H 1 7.444 0.02 . 1 . . . . . . . . 5483 1 1694 . 1 1 150 150 ASN HD21 H 1 7.837 0.02 . 1 . . . . . . . . 5483 1 1695 . 1 1 150 150 ASN C C 13 170.3 0.2 . 1 . . . . . . . . 5483 1 1696 . 1 1 151 151 MET N N 15 121.6 0.2 . 1 . . . . . . . . 5483 1 1697 . 1 1 151 151 MET H H 1 8.546 0.02 . 1 . . . . . . . . 5483 1 1698 . 1 1 151 151 MET CA C 13 54.7 0.2 . 1 . . . . . . . . 5483 1 1699 . 1 1 151 151 MET HA H 1 5.362 0.02 . 1 . . . . . . . . 5483 1 1700 . 1 1 151 151 MET HB2 H 1 2.287 0.02 . 1 . . . . . . . . 5483 1 1701 . 1 1 151 151 MET HB3 H 1 2.548 0.02 . 1 . . . . . . . . 5483 1 1702 . 1 1 151 151 MET HG2 H 1 2.032 0.02 . 2 . . . . . . . . 5483 1 1703 . 1 1 151 151 MET HG3 H 1 2.795 0.02 . 2 . . . . . . . . 5483 1 1704 . 1 1 151 151 MET HE1 H 1 1.977 0.02 . 1 . . . . . . . . 5483 1 1705 . 1 1 151 151 MET HE2 H 1 1.977 0.02 . 1 . . . . . . . . 5483 1 1706 . 1 1 151 151 MET HE3 H 1 1.977 0.02 . 1 . . . . . . . . 5483 1 1707 . 1 1 151 151 MET C C 13 174.2 0.2 . 1 . . . . . . . . 5483 1 1708 . 1 1 152 152 THR N N 15 117.9 0.2 . 1 . . . . . . . . 5483 1 1709 . 1 1 152 152 THR H H 1 9.067 0.02 . 1 . . . . . . . . 5483 1 1710 . 1 1 152 152 THR CA C 13 61.2 0.2 . 1 . . . . . . . . 5483 1 1711 . 1 1 152 152 THR HA H 1 4.345 0.02 . 1 . . . . . . . . 5483 1 1712 . 1 1 152 152 THR HB H 1 3.755 0.02 . 1 . . . . . . . . 5483 1 1713 . 1 1 152 152 THR HG21 H 1 1.019 0.02 . 1 . . . . . . . . 5483 1 1714 . 1 1 152 152 THR HG22 H 1 1.019 0.02 . 1 . . . . . . . . 5483 1 1715 . 1 1 152 152 THR HG23 H 1 1.019 0.02 . 1 . . . . . . . . 5483 1 1716 . 1 1 152 152 THR CG2 C 13 20.4 0.2 . 1 . . . . . . . . 5483 1 1717 . 1 1 152 152 THR C C 13 172.5 0.2 . 1 . . . . . . . . 5483 1 1718 . 1 1 153 153 GLY N N 15 109.4 0.2 . 1 . . . . . . . . 5483 1 1719 . 1 1 153 153 GLY H H 1 8.509 0.02 . 1 . . . . . . . . 5483 1 1720 . 1 1 153 153 GLY CA C 13 43.8 0.2 . 1 . . . . . . . . 5483 1 1721 . 1 1 153 153 GLY HA2 H 1 4.139 0.02 . 1 . . . . . . . . 5483 1 1722 . 1 1 153 153 GLY HA3 H 1 5.053 0.02 . 1 . . . . . . . . 5483 1 1723 . 1 1 153 153 GLY C C 13 175.5 0.2 . 1 . . . . . . . . 5483 1 1724 . 1 1 154 154 HIS N N 15 124.0 0.2 . 1 . . . . . . . . 5483 1 1725 . 1 1 154 154 HIS H H 1 7.825 0.02 . 1 . . . . . . . . 5483 1 1726 . 1 1 154 154 HIS CA C 13 56.7 0.2 . 1 . . . . . . . . 5483 1 1727 . 1 1 154 154 HIS HA H 1 4.096 0.02 . 1 . . . . . . . . 5483 1 1728 . 1 1 154 154 HIS CB C 13 31.1 0.2 . 1 . . . . . . . . 5483 1 1729 . 1 1 154 154 HIS HB2 H 1 2.148 0.02 . 1 . . . . . . . . 5483 1 1730 . 1 1 154 154 HIS HB3 H 1 3.579 0.02 . 1 . . . . . . . . 5483 1 1731 . 1 1 154 154 HIS ND1 N 15 219.2 0.2 . 1 . . . . . . . . 5483 1 1732 . 1 1 154 154 HIS HD2 H 1 7.176 0.02 . 1 . . . . . . . . 5483 1 1733 . 1 1 154 154 HIS NE2 N 15 167.5 0.2 . 1 . . . . . . . . 5483 1 1734 . 1 1 154 154 HIS HE1 H 1 8.758 0.02 . 1 . . . . . . . . 5483 1 1735 . 1 1 154 154 HIS HE2 H 1 10.382 0.02 . 1 . . . . . . . . 5483 1 1736 . 1 1 154 154 HIS C C 13 177.8 0.2 . 1 . . . . . . . . 5483 1 1737 . 1 1 155 155 CYS N N 15 113.5 0.2 . 1 . . . . . . . . 5483 1 1738 . 1 1 155 155 CYS H H 1 8.932 0.02 . 1 . . . . . . . . 5483 1 1739 . 1 1 155 155 CYS CA C 13 58.0 0.2 . 1 . . . . . . . . 5483 1 1740 . 1 1 155 155 CYS HA H 1 4.151 0.02 . 1 . . . . . . . . 5483 1 1741 . 1 1 155 155 CYS CB C 13 29.0 0.2 . 1 . . . . . . . . 5483 1 1742 . 1 1 155 155 CYS HB2 H 1 2.299 0.02 . 1 . . . . . . . . 5483 1 1743 . 1 1 155 155 CYS HB3 H 1 3.194 0.02 . 1 . . . . . . . . 5483 1 1744 . 1 1 155 155 CYS C C 13 174.1 0.2 . 1 . . . . . . . . 5483 1 1745 . 1 1 156 156 ASN N N 15 117.5 0.2 . 1 . . . . . . . . 5483 1 1746 . 1 1 156 156 ASN H H 1 7.493 0.02 . 1 . . . . . . . . 5483 1 1747 . 1 1 156 156 ASN CA C 13 56.4 0.2 . 1 . . . . . . . . 5483 1 1748 . 1 1 156 156 ASN HA H 1 4.703 0.02 . 1 . . . . . . . . 5483 1 1749 . 1 1 156 156 ASN CB C 13 40.7 0.2 . 1 . . . . . . . . 5483 1 1750 . 1 1 156 156 ASN HB2 H 1 2.977 0.02 . 1 . . . . . . . . 5483 1 1751 . 1 1 156 156 ASN HB3 H 1 3.303 0.02 . 1 . . . . . . . . 5483 1 1752 . 1 1 156 156 ASN ND2 N 15 110.9 0.2 . 1 . . . . . . . . 5483 1 1753 . 1 1 156 156 ASN HD22 H 1 6.384 0.02 . 1 . . . . . . . . 5483 1 1754 . 1 1 156 156 ASN HD21 H 1 8.597 0.02 . 1 . . . . . . . . 5483 1 1755 . 1 1 156 156 ASN C C 13 176.9 0.2 . 1 . . . . . . . . 5483 1 1756 . 1 1 157 157 ILE N N 15 109.6 0.2 . 1 . . . . . . . . 5483 1 1757 . 1 1 157 157 ILE H H 1 7.332 0.02 . 1 . . . . . . . . 5483 1 1758 . 1 1 157 157 ILE CA C 13 61.2 0.2 . 1 . . . . . . . . 5483 1 1759 . 1 1 157 157 ILE HA H 1 5.162 0.02 . 1 . . . . . . . . 5483 1 1760 . 1 1 157 157 ILE HB H 1 2.432 0.02 . 1 . . . . . . . . 5483 1 1761 . 1 1 157 157 ILE HG21 H 1 1.129 0.02 . 1 . . . . . . . . 5483 1 1762 . 1 1 157 157 ILE HG22 H 1 1.129 0.02 . 1 . . . . . . . . 5483 1 1763 . 1 1 157 157 ILE HG23 H 1 1.129 0.02 . 1 . . . . . . . . 5483 1 1764 . 1 1 157 157 ILE CG2 C 13 17.3 0.2 . 1 . . . . . . . . 5483 1 1765 . 1 1 157 157 ILE HG12 H 1 1.629 0.02 . 2 . . . . . . . . 5483 1 1766 . 1 1 157 157 ILE HG13 H 1 1.786 0.02 . 2 . . . . . . . . 5483 1 1767 . 1 1 157 157 ILE HD11 H 1 0.757 0.02 . 1 . . . . . . . . 5483 1 1768 . 1 1 157 157 ILE HD12 H 1 0.757 0.02 . 1 . . . . . . . . 5483 1 1769 . 1 1 157 157 ILE HD13 H 1 0.757 0.02 . 1 . . . . . . . . 5483 1 1770 . 1 1 157 157 ILE CD1 C 13 14.9 0.2 . 1 . . . . . . . . 5483 1 1771 . 1 1 157 157 ILE C C 13 175.0 0.2 . 1 . . . . . . . . 5483 1 1772 . 1 1 158 158 ALA N N 15 125.8 0.2 . 1 . . . . . . . . 5483 1 1773 . 1 1 158 158 ALA H H 1 7.727 0.02 . 1 . . . . . . . . 5483 1 1774 . 1 1 158 158 ALA CA C 13 50.8 0.2 . 1 . . . . . . . . 5483 1 1775 . 1 1 158 158 ALA HA H 1 5.060 0.02 . 1 . . . . . . . . 5483 1 1776 . 1 1 158 158 ALA HB1 H 1 1.263 0.02 . 1 . . . . . . . . 5483 1 1777 . 1 1 158 158 ALA HB2 H 1 1.263 0.02 . 1 . . . . . . . . 5483 1 1778 . 1 1 158 158 ALA HB3 H 1 1.263 0.02 . 1 . . . . . . . . 5483 1 1779 . 1 1 158 158 ALA CB C 13 18.9 0.2 . 1 . . . . . . . . 5483 1 1780 . 1 1 158 158 ALA C C 13 173.7 0.2 . 1 . . . . . . . . 5483 1 1781 . 1 1 159 159 PRO CA C 13 61.4 0.2 . 1 . . . . . . . . 5483 1 1782 . 1 1 159 159 PRO HA H 1 4.749 0.02 . 1 . . . . . . . . 5483 1 1783 . 1 1 159 159 PRO HG2 H 1 1.965 0.02 . 1 . . . . . . . . 5483 1 1784 . 1 1 159 159 PRO HG3 H 1 1.965 0.02 . 1 . . . . . . . . 5483 1 1785 . 1 1 159 159 PRO HD2 H 1 3.288 0.02 . 2 . . . . . . . . 5483 1 1786 . 1 1 159 159 PRO HD3 H 1 3.594 0.02 . 2 . . . . . . . . 5483 1 1787 . 1 1 159 159 PRO C C 13 179.0 0.2 . 1 . . . . . . . . 5483 1 1788 . 1 1 160 160 GLU N N 15 117.1 0.2 . 1 . . . . . . . . 5483 1 1789 . 1 1 160 160 GLU H H 1 8.972 0.02 . 1 . . . . . . . . 5483 1 1790 . 1 1 160 160 GLU CA C 13 58.3 0.2 . 1 . . . . . . . . 5483 1 1791 . 1 1 160 160 GLU HA H 1 4.142 0.02 . 1 . . . . . . . . 5483 1 1792 . 1 1 160 160 GLU HB2 H 1 2.093 0.02 . 1 . . . . . . . . 5483 1 1793 . 1 1 160 160 GLU HB3 H 1 2.136 0.02 . 1 . . . . . . . . 5483 1 1794 . 1 1 160 160 GLU HG2 H 1 2.245 0.02 . 2 . . . . . . . . 5483 1 1795 . 1 1 160 160 GLU HG3 H 1 2.286 0.02 . 2 . . . . . . . . 5483 1 1796 . 1 1 160 160 GLU C C 13 174.5 0.2 . 1 . . . . . . . . 5483 1 1797 . 1 1 161 161 ARG N N 15 116.7 0.2 . 1 . . . . . . . . 5483 1 1798 . 1 1 161 161 ARG H H 1 7.751 0.02 . 1 . . . . . . . . 5483 1 1799 . 1 1 161 161 ARG CA C 13 57.1 0.2 . 1 . . . . . . . . 5483 1 1800 . 1 1 161 161 ARG HA H 1 4.538 0.02 . 1 . . . . . . . . 5483 1 1801 . 1 1 161 161 ARG HB2 H 1 1.635 0.02 . 1 . . . . . . . . 5483 1 1802 . 1 1 161 161 ARG HB3 H 1 1.788 0.02 . 1 . . . . . . . . 5483 1 1803 . 1 1 161 161 ARG HG2 H 1 1.481 0.02 . 1 . . . . . . . . 5483 1 1804 . 1 1 161 161 ARG HG3 H 1 1.481 0.02 . 1 . . . . . . . . 5483 1 1805 . 1 1 161 161 ARG C C 13 175.6 0.2 . 1 . . . . . . . . 5483 1 1806 . 1 1 162 162 LYS N N 15 117.3 0.2 . 1 . . . . . . . . 5483 1 1807 . 1 1 162 162 LYS H H 1 7.942 0.02 . 1 . . . . . . . . 5483 1 1808 . 1 1 162 162 LYS CA C 13 52.9 0.2 . 1 . . . . . . . . 5483 1 1809 . 1 1 162 162 LYS HA H 1 4.868 0.02 . 1 . . . . . . . . 5483 1 1810 . 1 1 162 162 LYS HB2 H 1 1.194 0.02 . 1 . . . . . . . . 5483 1 1811 . 1 1 162 162 LYS HB3 H 1 1.818 0.02 . 1 . . . . . . . . 5483 1 1812 . 1 1 162 162 LYS HG2 H 1 1.112 0.02 . 2 . . . . . . . . 5483 1 1813 . 1 1 162 162 LYS HG3 H 1 1.261 0.02 . 2 . . . . . . . . 5483 1 1814 . 1 1 162 162 LYS C C 13 176.2 0.2 . 1 . . . . . . . . 5483 1 1815 . 1 1 163 163 THR N N 15 112.8 0.2 . 1 . . . . . . . . 5483 1 1816 . 1 1 163 163 THR H H 1 8.938 0.02 . 1 . . . . . . . . 5483 1 1817 . 1 1 163 163 THR CA C 13 61.9 0.2 . 1 . . . . . . . . 5483 1 1818 . 1 1 163 163 THR HA H 1 4.423 0.02 . 1 . . . . . . . . 5483 1 1819 . 1 1 163 163 THR HB H 1 4.381 0.02 . 1 . . . . . . . . 5483 1 1820 . 1 1 163 163 THR HG21 H 1 1.116 0.02 . 1 . . . . . . . . 5483 1 1821 . 1 1 163 163 THR HG22 H 1 1.116 0.02 . 1 . . . . . . . . 5483 1 1822 . 1 1 163 163 THR HG23 H 1 1.116 0.02 . 1 . . . . . . . . 5483 1 1823 . 1 1 163 163 THR CG2 C 13 20.8 0.2 . 1 . . . . . . . . 5483 1 1824 . 1 1 163 163 THR C C 13 172.9 0.2 . 1 . . . . . . . . 5483 1 1825 . 1 1 164 164 ASP N N 15 121.0 0.2 . 1 . . . . . . . . 5483 1 1826 . 1 1 164 164 ASP H H 1 9.686 0.02 . 1 . . . . . . . . 5483 1 1827 . 1 1 164 164 ASP CA C 13 52.7 0.2 . 1 . . . . . . . . 5483 1 1828 . 1 1 164 164 ASP HA H 1 4.617 0.02 . 1 . . . . . . . . 5483 1 1829 . 1 1 164 164 ASP HB2 H 1 2.598 0.02 . 1 . . . . . . . . 5483 1 1830 . 1 1 164 164 ASP HB3 H 1 3.315 0.02 . 1 . . . . . . . . 5483 1 1831 . 1 1 165 165 PRO CA C 13 63.5 0.2 . 1 . . . . . . . . 5483 1 1832 . 1 1 165 165 PRO HA H 1 4.617 0.02 . 1 . . . . . . . . 5483 1 1833 . 1 1 165 165 PRO C C 13 174.8 0.2 . 1 . . . . . . . . 5483 1 1834 . 1 1 166 166 GLY N N 15 111.1 0.2 . 1 . . . . . . . . 5483 1 1835 . 1 1 166 166 GLY H H 1 8.010 0.02 . 1 . . . . . . . . 5483 1 1836 . 1 1 166 166 GLY CA C 13 46.1 0.2 . 1 . . . . . . . . 5483 1 1837 . 1 1 166 166 GLY HA2 H 1 4.221 0.02 . 1 . . . . . . . . 5483 1 1838 . 1 1 166 166 GLY HA3 H 1 4.537 0.02 . 1 . . . . . . . . 5483 1 1839 . 1 1 167 167 PRO CA C 13 63.9 0.2 . 1 . . . . . . . . 5483 1 1840 . 1 1 167 167 PRO HA H 1 4.666 0.02 . 1 . . . . . . . . 5483 1 1841 . 1 1 167 167 PRO CB C 13 32.6 0.2 . 1 . . . . . . . . 5483 1 1842 . 1 1 167 167 PRO HB2 H 1 2.451 0.02 . 1 . . . . . . . . 5483 1 1843 . 1 1 167 167 PRO HB3 H 1 2.451 0.02 . 1 . . . . . . . . 5483 1 1844 . 1 1 167 167 PRO HG2 H 1 2.105 0.02 . 1 . . . . . . . . 5483 1 1845 . 1 1 167 167 PRO HG3 H 1 2.105 0.02 . 1 . . . . . . . . 5483 1 1846 . 1 1 167 167 PRO HD2 H 1 3.745 0.02 . 2 . . . . . . . . 5483 1 1847 . 1 1 167 167 PRO HD3 H 1 4.124 0.02 . 2 . . . . . . . . 5483 1 1848 . 1 1 167 167 PRO C C 13 176.9 0.2 . 1 . . . . . . . . 5483 1 1849 . 1 1 168 168 SER N N 15 110.8 0.2 . 1 . . . . . . . . 5483 1 1850 . 1 1 168 168 SER H H 1 7.938 0.02 . 1 . . . . . . . . 5483 1 1851 . 1 1 168 168 SER CA C 13 59.3 0.2 . 1 . . . . . . . . 5483 1 1852 . 1 1 168 168 SER HA H 1 4.154 0.02 . 1 . . . . . . . . 5483 1 1853 . 1 1 168 168 SER CB C 13 62.8 0.2 . 1 . . . . . . . . 5483 1 1854 . 1 1 168 168 SER HB2 H 1 3.289 0.02 . 1 . . . . . . . . 5483 1 1855 . 1 1 168 168 SER HB3 H 1 3.687 0.02 . 1 . . . . . . . . 5483 1 1856 . 1 1 168 168 SER C C 13 175.8 0.2 . 1 . . . . . . . . 5483 1 1857 . 1 1 169 169 PHE N N 15 123.7 0.2 . 1 . . . . . . . . 5483 1 1858 . 1 1 169 169 PHE H H 1 7.744 0.02 . 1 . . . . . . . . 5483 1 1859 . 1 1 169 169 PHE CA C 13 59.9 0.2 . 1 . . . . . . . . 5483 1 1860 . 1 1 169 169 PHE HA H 1 4.306 0.02 . 1 . . . . . . . . 5483 1 1861 . 1 1 169 169 PHE CB C 13 39.4 0.2 . 1 . . . . . . . . 5483 1 1862 . 1 1 169 169 PHE HB2 H 1 2.641 0.02 . 1 . . . . . . . . 5483 1 1863 . 1 1 169 169 PHE HB3 H 1 2.841 0.02 . 1 . . . . . . . . 5483 1 1864 . 1 1 169 169 PHE CD1 C 13 130.3 0.2 . 1 . . . . . . . . 5483 1 1865 . 1 1 169 169 PHE HD1 H 1 5.530 0.02 . 1 . . . . . . . . 5483 1 1866 . 1 1 169 169 PHE CE1 C 13 130.0 0.2 . 1 . . . . . . . . 5483 1 1867 . 1 1 169 169 PHE HE1 H 1 5.256 0.02 . 1 . . . . . . . . 5483 1 1868 . 1 1 169 169 PHE CZ C 13 127.5 0.2 . 1 . . . . . . . . 5483 1 1869 . 1 1 169 169 PHE HZ H 1 5.619 0.02 . 1 . . . . . . . . 5483 1 1870 . 1 1 169 169 PHE CE2 C 13 130.0 0.2 . 1 . . . . . . . . 5483 1 1871 . 1 1 169 169 PHE HE2 H 1 5.256 0.02 . 1 . . . . . . . . 5483 1 1872 . 1 1 169 169 PHE CD2 C 13 130.3 0.2 . 1 . . . . . . . . 5483 1 1873 . 1 1 169 169 PHE HD2 H 1 5.530 0.02 . 1 . . . . . . . . 5483 1 1874 . 1 1 169 169 PHE C C 13 173.0 0.2 . 1 . . . . . . . . 5483 1 1875 . 1 1 170 170 ASP N N 15 129.6 0.2 . 1 . . . . . . . . 5483 1 1876 . 1 1 170 170 ASP H H 1 8.039 0.02 . 1 . . . . . . . . 5483 1 1877 . 1 1 170 170 ASP CA C 13 52.1 0.2 . 1 . . . . . . . . 5483 1 1878 . 1 1 170 170 ASP HA H 1 4.610 0.02 . 1 . . . . . . . . 5483 1 1879 . 1 1 170 170 ASP CB C 13 41.5 0.2 . 1 . . . . . . . . 5483 1 1880 . 1 1 170 170 ASP HB2 H 1 2.334 0.02 . 1 . . . . . . . . 5483 1 1881 . 1 1 170 170 ASP HB3 H 1 2.690 0.02 . 1 . . . . . . . . 5483 1 1882 . 1 1 170 170 ASP C C 13 174.9 0.2 . 1 . . . . . . . . 5483 1 1883 . 1 1 171 171 TRP N N 15 125.3 0.2 . 1 . . . . . . . . 5483 1 1884 . 1 1 171 171 TRP H H 1 8.007 0.02 . 1 . . . . . . . . 5483 1 1885 . 1 1 171 171 TRP CA C 13 61.5 0.2 . 1 . . . . . . . . 5483 1 1886 . 1 1 171 171 TRP HA H 1 4.095 0.02 . 1 . . . . . . . . 5483 1 1887 . 1 1 171 171 TRP CB C 13 31.2 0.2 . 1 . . . . . . . . 5483 1 1888 . 1 1 171 171 TRP HB2 H 1 3.250 0.02 . 1 . . . . . . . . 5483 1 1889 . 1 1 171 171 TRP HB3 H 1 3.449 0.02 . 1 . . . . . . . . 5483 1 1890 . 1 1 171 171 TRP CD1 C 13 127.5 0.2 . 1 . . . . . . . . 5483 1 1891 . 1 1 171 171 TRP CE3 C 13 120.3 0.2 . 1 . . . . . . . . 5483 1 1892 . 1 1 171 171 TRP NE1 N 15 131.1 0.2 . 1 . . . . . . . . 5483 1 1893 . 1 1 171 171 TRP HD1 H 1 7.656 0.02 . 1 . . . . . . . . 5483 1 1894 . 1 1 171 171 TRP HE3 H 1 7.841 0.02 . 1 . . . . . . . . 5483 1 1895 . 1 1 171 171 TRP CZ3 C 13 121.3 0.2 . 1 . . . . . . . . 5483 1 1896 . 1 1 171 171 TRP CZ2 C 13 114.3 0.2 . 1 . . . . . . . . 5483 1 1897 . 1 1 171 171 TRP HE1 H 1 10.946 0.02 . 1 . . . . . . . . 5483 1 1898 . 1 1 171 171 TRP HZ3 H 1 7.038 0.02 . 1 . . . . . . . . 5483 1 1899 . 1 1 171 171 TRP CH2 C 13 123.3 0.2 . 1 . . . . . . . . 5483 1 1900 . 1 1 171 171 TRP HZ2 H 1 6.967 0.02 . 1 . . . . . . . . 5483 1 1901 . 1 1 171 171 TRP HH2 H 1 6.700 0.02 . 1 . . . . . . . . 5483 1 1902 . 1 1 171 171 TRP C C 13 178.4 0.2 . 1 . . . . . . . . 5483 1 1903 . 1 1 172 172 ALA N N 15 120.9 0.2 . 1 . . . . . . . . 5483 1 1904 . 1 1 172 172 ALA H H 1 8.369 0.02 . 1 . . . . . . . . 5483 1 1905 . 1 1 172 172 ALA CA C 13 55.4 0.2 . 1 . . . . . . . . 5483 1 1906 . 1 1 172 172 ALA HA H 1 4.156 0.02 . 1 . . . . . . . . 5483 1 1907 . 1 1 172 172 ALA HB1 H 1 1.482 0.02 . 1 . . . . . . . . 5483 1 1908 . 1 1 172 172 ALA HB2 H 1 1.482 0.02 . 1 . . . . . . . . 5483 1 1909 . 1 1 172 172 ALA HB3 H 1 1.482 0.02 . 1 . . . . . . . . 5483 1 1910 . 1 1 172 172 ALA CB C 13 17.7 0.2 . 1 . . . . . . . . 5483 1 1911 . 1 1 172 172 ALA C C 13 180.6 0.2 . 1 . . . . . . . . 5483 1 1912 . 1 1 173 173 ARG N N 15 120.7 0.2 . 1 . . . . . . . . 5483 1 1913 . 1 1 173 173 ARG H H 1 7.521 0.02 . 1 . . . . . . . . 5483 1 1914 . 1 1 173 173 ARG CA C 13 58.1 0.2 . 1 . . . . . . . . 5483 1 1915 . 1 1 173 173 ARG HA H 1 3.780 0.02 . 1 . . . . . . . . 5483 1 1916 . 1 1 173 173 ARG CB C 13 31.7 0.2 . 1 . . . . . . . . 5483 1 1917 . 1 1 173 173 ARG HB2 H 1 1.302 0.02 . 1 . . . . . . . . 5483 1 1918 . 1 1 173 173 ARG HB3 H 1 1.531 0.02 . 1 . . . . . . . . 5483 1 1919 . 1 1 173 173 ARG HG2 H 1 1.422 0.02 . 1 . . . . . . . . 5483 1 1920 . 1 1 173 173 ARG HG3 H 1 1.497 0.02 . 1 . . . . . . . . 5483 1 1921 . 1 1 173 173 ARG HD2 H 1 2.632 0.02 . 1 . . . . . . . . 5483 1 1922 . 1 1 173 173 ARG HD3 H 1 2.632 0.02 . 1 . . . . . . . . 5483 1 1923 . 1 1 173 173 ARG HE H 1 6.809 0.02 . 1 . . . . . . . . 5483 1 1924 . 1 1 173 173 ARG C C 13 178.0 0.2 . 1 . . . . . . . . 5483 1 1925 . 1 1 174 174 PHE N N 15 116.5 0.2 . 1 . . . . . . . . 5483 1 1926 . 1 1 174 174 PHE H H 1 7.816 0.02 . 1 . . . . . . . . 5483 1 1927 . 1 1 174 174 PHE CA C 13 59.8 0.2 . 1 . . . . . . . . 5483 1 1928 . 1 1 174 174 PHE HA H 1 4.411 0.02 . 1 . . . . . . . . 5483 1 1929 . 1 1 174 174 PHE CB C 13 40.6 0.2 . 1 . . . . . . . . 5483 1 1930 . 1 1 174 174 PHE HB3 H 1 2.932 0.02 . 1 . . . . . . . . 5483 1 1931 . 1 1 174 174 PHE HB2 H 1 3.030 0.02 . 1 . . . . . . . . 5483 1 1932 . 1 1 174 174 PHE CD1 C 13 131.9 0.2 . 1 . . . . . . . . 5483 1 1933 . 1 1 174 174 PHE HD1 H 1 7.247 0.02 . 1 . . . . . . . . 5483 1 1934 . 1 1 174 174 PHE CE1 C 13 131.2 0.2 . 1 . . . . . . . . 5483 1 1935 . 1 1 174 174 PHE HE1 H 1 7.097 0.02 . 1 . . . . . . . . 5483 1 1936 . 1 1 174 174 PHE CZ C 13 130.9 0.2 . 1 . . . . . . . . 5483 1 1937 . 1 1 174 174 PHE HZ H 1 7.367 0.02 . 1 . . . . . . . . 5483 1 1938 . 1 1 174 174 PHE CE2 C 13 131.2 0.2 . 1 . . . . . . . . 5483 1 1939 . 1 1 174 174 PHE HE2 H 1 7.097 0.02 . 1 . . . . . . . . 5483 1 1940 . 1 1 174 174 PHE CD2 C 13 131.9 0.2 . 1 . . . . . . . . 5483 1 1941 . 1 1 174 174 PHE HD2 H 1 7.247 0.02 . 1 . . . . . . . . 5483 1 1942 . 1 1 174 174 PHE C C 13 176.9 0.2 . 1 . . . . . . . . 5483 1 1943 . 1 1 175 175 ARG N N 15 116.1 0.2 . 1 . . . . . . . . 5483 1 1944 . 1 1 175 175 ARG H H 1 8.956 0.02 . 1 . . . . . . . . 5483 1 1945 . 1 1 175 175 ARG CA C 13 60.0 0.2 . 1 . . . . . . . . 5483 1 1946 . 1 1 175 175 ARG HA H 1 3.437 0.02 . 1 . . . . . . . . 5483 1 1947 . 1 1 175 175 ARG CB C 13 31.4 0.2 . 1 . . . . . . . . 5483 1 1948 . 1 1 175 175 ARG HB2 H 1 1.874 0.02 . 1 . . . . . . . . 5483 1 1949 . 1 1 175 175 ARG HB3 H 1 1.874 0.02 . 1 . . . . . . . . 5483 1 1950 . 1 1 175 175 ARG HG2 H 1 1.681 0.02 . 2 . . . . . . . . 5483 1 1951 . 1 1 175 175 ARG HG3 H 1 1.815 0.02 . 2 . . . . . . . . 5483 1 1952 . 1 1 175 175 ARG HD2 H 1 2.991 0.02 . 1 . . . . . . . . 5483 1 1953 . 1 1 175 175 ARG HD3 H 1 2.991 0.02 . 1 . . . . . . . . 5483 1 1954 . 1 1 175 175 ARG C C 13 178.8 0.2 . 1 . . . . . . . . 5483 1 1955 . 1 1 176 176 ALA N N 15 118.8 0.2 . 1 . . . . . . . . 5483 1 1956 . 1 1 176 176 ALA H H 1 7.377 0.02 . 1 . . . . . . . . 5483 1 1957 . 1 1 176 176 ALA CA C 13 54.1 0.2 . 1 . . . . . . . . 5483 1 1958 . 1 1 176 176 ALA HA H 1 4.128 0.02 . 1 . . . . . . . . 5483 1 1959 . 1 1 176 176 ALA HB1 H 1 1.428 0.02 . 1 . . . . . . . . 5483 1 1960 . 1 1 176 176 ALA HB2 H 1 1.428 0.02 . 1 . . . . . . . . 5483 1 1961 . 1 1 176 176 ALA HB3 H 1 1.428 0.02 . 1 . . . . . . . . 5483 1 1962 . 1 1 176 176 ALA CB C 13 19.0 0.2 . 1 . . . . . . . . 5483 1 1963 . 1 1 176 176 ALA C C 13 178.8 0.2 . 1 . . . . . . . . 5483 1 1964 . 1 1 177 177 LEU N N 15 116.4 0.2 . 1 . . . . . . . . 5483 1 1965 . 1 1 177 177 LEU H H 1 7.517 0.02 . 1 . . . . . . . . 5483 1 1966 . 1 1 177 177 LEU CA C 13 55.4 0.2 . 1 . . . . . . . . 5483 1 1967 . 1 1 177 177 LEU HA H 1 4.226 0.02 . 1 . . . . . . . . 5483 1 1968 . 1 1 177 177 LEU CB C 13 44.4 0.2 . 1 . . . . . . . . 5483 1 1969 . 1 1 177 177 LEU HB2 H 1 1.890 0.02 . 1 . . . . . . . . 5483 1 1970 . 1 1 177 177 LEU HB3 H 1 2.019 0.02 . 1 . . . . . . . . 5483 1 1971 . 1 1 177 177 LEU HG H 1 1.909 0.02 . 1 . . . . . . . . 5483 1 1972 . 1 1 177 177 LEU HD11 H 1 0.823 0.02 . 1 . . . . . . . . 5483 1 1973 . 1 1 177 177 LEU HD12 H 1 0.823 0.02 . 1 . . . . . . . . 5483 1 1974 . 1 1 177 177 LEU HD13 H 1 0.823 0.02 . 1 . . . . . . . . 5483 1 1975 . 1 1 177 177 LEU HD21 H 1 0.885 0.02 . 1 . . . . . . . . 5483 1 1976 . 1 1 177 177 LEU HD22 H 1 0.885 0.02 . 1 . . . . . . . . 5483 1 1977 . 1 1 177 177 LEU HD23 H 1 0.885 0.02 . 1 . . . . . . . . 5483 1 1978 . 1 1 177 177 LEU CD1 C 13 25.8 0.2 . 1 . . . . . . . . 5483 1 1979 . 1 1 177 177 LEU CD2 C 13 22.2 0.2 . 1 . . . . . . . . 5483 1 1980 . 1 1 177 177 LEU C C 13 177.7 0.2 . 1 . . . . . . . . 5483 1 1981 . 1 1 178 178 VAL N N 15 118.2 0.2 . 1 . . . . . . . . 5483 1 1982 . 1 1 178 178 VAL H H 1 7.086 0.02 . 1 . . . . . . . . 5483 1 1983 . 1 1 178 178 VAL CA C 13 62.1 0.2 . 1 . . . . . . . . 5483 1 1984 . 1 1 178 178 VAL HA H 1 4.328 0.02 . 1 . . . . . . . . 5483 1 1985 . 1 1 178 178 VAL CB C 13 34.0 0.2 . 1 . . . . . . . . 5483 1 1986 . 1 1 178 178 VAL HB H 1 1.874 0.02 . 1 . . . . . . . . 5483 1 1987 . 1 1 178 178 VAL HG11 H 1 0.751 0.02 . 1 . . . . . . . . 5483 1 1988 . 1 1 178 178 VAL HG12 H 1 0.751 0.02 . 1 . . . . . . . . 5483 1 1989 . 1 1 178 178 VAL HG13 H 1 0.751 0.02 . 1 . . . . . . . . 5483 1 1990 . 1 1 178 178 VAL HG21 H 1 0.473 0.02 . 1 . . . . . . . . 5483 1 1991 . 1 1 178 178 VAL HG22 H 1 0.473 0.02 . 1 . . . . . . . . 5483 1 1992 . 1 1 178 178 VAL HG23 H 1 0.473 0.02 . 1 . . . . . . . . 5483 1 1993 . 1 1 178 178 VAL CG1 C 13 21.6 0.2 . 1 . . . . . . . . 5483 1 1994 . 1 1 178 178 VAL CG2 C 13 21.2 0.2 . 1 . . . . . . . . 5483 1 1995 . 1 1 178 178 VAL C C 13 175.6 0.2 . 1 . . . . . . . . 5483 1 1996 . 1 1 179 179 THR N N 15 120.0 0.2 . 1 . . . . . . . . 5483 1 1997 . 1 1 179 179 THR H H 1 8.167 0.02 . 1 . . . . . . . . 5483 1 1998 . 1 1 179 179 THR CA C 13 59.7 0.2 . 1 . . . . . . . . 5483 1 1999 . 1 1 179 179 THR HA H 1 4.454 0.02 . 1 . . . . . . . . 5483 1 2000 . 1 1 179 179 THR HB H 1 4.045 0.02 . 1 . . . . . . . . 5483 1 2001 . 1 1 179 179 THR HG21 H 1 1.155 0.02 . 1 . . . . . . . . 5483 1 2002 . 1 1 179 179 THR HG22 H 1 1.155 0.02 . 1 . . . . . . . . 5483 1 2003 . 1 1 179 179 THR HG23 H 1 1.155 0.02 . 1 . . . . . . . . 5483 1 2004 . 1 1 179 179 THR CG2 C 13 21.4 0.2 . 1 . . . . . . . . 5483 1 2005 . 1 1 179 179 THR C C 13 172.5 0.2 . 1 . . . . . . . . 5483 1 2006 . 1 1 180 180 PRO CA C 13 63.1 0.2 . 1 . . . . . . . . 5483 1 2007 . 1 1 180 180 PRO HA H 1 4.408 0.02 . 1 . . . . . . . . 5483 1 2008 . 1 1 180 180 PRO CB C 13 33.4 0.2 . 1 . . . . . . . . 5483 1 2009 . 1 1 180 180 PRO HB2 H 1 2.269 0.02 . 1 . . . . . . . . 5483 1 2010 . 1 1 180 180 PRO HB3 H 1 2.269 0.02 . 1 . . . . . . . . 5483 1 2011 . 1 1 180 180 PRO HG2 H 1 1.925 0.02 . 2 . . . . . . . . 5483 1 2012 . 1 1 180 180 PRO HG3 H 1 1.960 0.02 . 2 . . . . . . . . 5483 1 2013 . 1 1 180 180 PRO HD2 H 1 3.633 0.02 . 2 . . . . . . . . 5483 1 2014 . 1 1 180 180 PRO HD3 H 1 3.755 0.02 . 2 . . . . . . . . 5483 1 2015 . 1 1 180 180 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 5483 1 2016 . 1 1 181 181 SER N N 15 115.5 0.2 . 1 . . . . . . . . 5483 1 2017 . 1 1 181 181 SER H H 1 8.297 0.02 . 1 . . . . . . . . 5483 1 2018 . 1 1 181 181 SER CA C 13 58.4 0.2 . 1 . . . . . . . . 5483 1 2019 . 1 1 181 181 SER HA H 1 4.349 0.02 . 1 . . . . . . . . 5483 1 2020 . 1 1 181 181 SER CB C 13 65.9 0.2 . 1 . . . . . . . . 5483 1 2021 . 1 1 181 181 SER HB2 H 1 3.775 0.02 . 1 . . . . . . . . 5483 1 2022 . 1 1 181 181 SER HB3 H 1 3.844 0.02 . 1 . . . . . . . . 5483 1 2023 . 1 1 181 181 SER C C 13 174.5 0.2 . 1 . . . . . . . . 5483 1 2024 . 1 1 182 182 SER N N 15 117.9 0.2 . 1 . . . . . . . . 5483 1 2025 . 1 1 182 182 SER H H 1 8.203 0.02 . 1 . . . . . . . . 5483 1 2026 . 1 1 182 182 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 5483 1 2027 . 1 1 182 182 SER HA H 1 4.385 0.02 . 1 . . . . . . . . 5483 1 2028 . 1 1 182 182 SER CB C 13 63.0 0.2 . 1 . . . . . . . . 5483 1 2029 . 1 1 182 182 SER HB2 H 1 3.787 0.02 . 1 . . . . . . . . 5483 1 2030 . 1 1 182 182 SER HB3 H 1 3.828 0.02 . 1 . . . . . . . . 5483 1 2031 . 1 1 182 182 SER C C 13 173.4 0.2 . 1 . . . . . . . . 5483 1 2032 . 1 1 183 183 HIS N N 15 125.3 0.2 . 1 . . . . . . . . 5483 1 2033 . 1 1 183 183 HIS H H 1 8.368 0.02 . 1 . . . . . . . . 5483 1 2034 . 1 1 183 183 HIS CA C 13 58.4 0.2 . 1 . . . . . . . . 5483 1 2035 . 1 1 183 183 HIS HA H 1 4.658 0.02 . 1 . . . . . . . . 5483 1 2036 . 1 1 183 183 HIS HB2 H 1 3.116 0.02 . 1 . . . . . . . . 5483 1 2037 . 1 1 183 183 HIS HB3 H 1 3.224 0.02 . 1 . . . . . . . . 5483 1 2038 . 1 1 183 183 HIS ND1 N 15 177.5 0.2 . 1 . . . . . . . . 5483 1 2039 . 1 1 183 183 HIS NE2 N 15 173.4 0.2 . 1 . . . . . . . . 5483 1 2040 . 1 1 183 183 HIS HD2 H 1 7.209 0.02 . 1 . . . . . . . . 5483 1 2041 . 1 1 183 183 HIS HE1 H 1 8.488 0.02 . 1 . . . . . . . . 5483 1 2042 . 1 1 183 183 HIS C C 13 179.1 0.2 . 1 . . . . . . . . 5483 1 2043 . 1 1 184 184 LYS N N 15 123.0 0.2 . 1 . . . . . . . . 5483 1 2044 . 1 1 184 184 LYS H H 1 8.243 0.02 . 1 . . . . . . . . 5483 1 2045 . 1 1 184 184 LYS CA C 13 58.0 0.2 . 1 . . . . . . . . 5483 1 2046 . 1 1 184 184 LYS HA H 1 4.266 0.02 . 1 . . . . . . . . 5483 1 2047 . 1 1 184 184 LYS CB C 13 34.4 0.2 . 1 . . . . . . . . 5483 1 2048 . 1 1 184 184 LYS HB2 H 1 1.678 0.02 . 1 . . . . . . . . 5483 1 2049 . 1 1 184 184 LYS HB3 H 1 1.759 0.02 . 1 . . . . . . . . 5483 1 2050 . 1 1 184 184 LYS HG2 H 1 1.366 0.02 . 1 . . . . . . . . 5483 1 2051 . 1 1 184 184 LYS HG3 H 1 1.366 0.02 . 1 . . . . . . . . 5483 1 2052 . 1 1 184 184 LYS HD2 H 1 1.634 0.02 . 1 . . . . . . . . 5483 1 2053 . 1 1 184 184 LYS HD3 H 1 1.634 0.02 . 1 . . . . . . . . 5483 1 2054 . 1 1 184 184 LYS HE2 H 1 2.961 0.02 . 1 . . . . . . . . 5483 1 2055 . 1 1 184 184 LYS HE3 H 1 2.961 0.02 . 1 . . . . . . . . 5483 1 2056 . 1 1 184 184 LYS C C 13 178.2 0.2 . 1 . . . . . . . . 5483 1 2057 . 1 1 185 185 GLU N N 15 122.5 0.2 . 1 . . . . . . . . 5483 1 2058 . 1 1 185 185 GLU H H 1 8.522 0.02 . 1 . . . . . . . . 5483 1 2059 . 1 1 185 185 GLU CA C 13 58.1 0.2 . 1 . . . . . . . . 5483 1 2060 . 1 1 185 185 GLU HA H 1 4.268 0.02 . 1 . . . . . . . . 5483 1 2061 . 1 1 185 185 GLU HB2 H 1 1.906 0.02 . 1 . . . . . . . . 5483 1 2062 . 1 1 185 185 GLU HB3 H 1 2.039 0.02 . 1 . . . . . . . . 5483 1 2063 . 1 1 185 185 GLU HG2 H 1 2.284 0.02 . 1 . . . . . . . . 5483 1 2064 . 1 1 185 185 GLU HG3 H 1 2.284 0.02 . 1 . . . . . . . . 5483 1 2065 . 1 1 185 185 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 5483 1 2066 . 1 1 186 186 MET N N 15 121.9 0.2 . 1 . . . . . . . . 5483 1 2067 . 1 1 186 186 MET H H 1 8.383 0.02 . 1 . . . . . . . . 5483 1 2068 . 1 1 186 186 MET CA C 13 55.6 0.2 . 1 . . . . . . . . 5483 1 2069 . 1 1 186 186 MET HA H 1 4.521 0.02 . 1 . . . . . . . . 5483 1 2070 . 1 1 186 186 MET CB C 13 33.9 0.2 . 1 . . . . . . . . 5483 1 2071 . 1 1 186 186 MET HB2 H 1 1.988 0.02 . 1 . . . . . . . . 5483 1 2072 . 1 1 186 186 MET HB3 H 1 2.127 0.02 . 1 . . . . . . . . 5483 1 2073 . 1 1 186 186 MET HG2 H 1 2.517 0.02 . 2 . . . . . . . . 5483 1 2074 . 1 1 186 186 MET HG3 H 1 2.587 0.02 . 2 . . . . . . . . 5483 1 2075 . 1 1 186 186 MET HE1 H 1 2.062 0.02 . 1 . . . . . . . . 5483 1 2076 . 1 1 186 186 MET HE2 H 1 2.062 0.02 . 1 . . . . . . . . 5483 1 2077 . 1 1 186 186 MET HE3 H 1 2.062 0.02 . 1 . . . . . . . . 5483 1 2078 . 1 1 186 186 MET C C 13 175.5 0.2 . 1 . . . . . . . . 5483 1 2079 . 1 1 187 187 THR N N 15 120.3 0.2 . 1 . . . . . . . . 5483 1 2080 . 1 1 187 187 THR H H 1 7.709 0.02 . 1 . . . . . . . . 5483 1 2081 . 1 1 187 187 THR CA C 13 63.1 0.2 . 1 . . . . . . . . 5483 1 2082 . 1 1 187 187 THR HA H 1 4.125 0.02 . 1 . . . . . . . . 5483 1 2083 . 1 1 187 187 THR HB H 1 4.201 0.02 . 1 . . . . . . . . 5483 1 2084 . 1 1 187 187 THR HG21 H 1 1.118 0.02 . 1 . . . . . . . . 5483 1 2085 . 1 1 187 187 THR HG22 H 1 1.118 0.02 . 1 . . . . . . . . 5483 1 2086 . 1 1 187 187 THR HG23 H 1 1.118 0.02 . 1 . . . . . . . . 5483 1 2087 . 1 1 187 187 THR CG2 C 13 21.1 0.2 . 1 . . . . . . . . 5483 1 2088 . 1 1 187 187 THR C C 13 179.1 0.2 . 1 . . . . . . . . 5483 1 stop_ save_