data_5627 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5627 _Entry.Title ; 1H, 15N, 13C Resonance Assignments of the LpxC Deacetylase from Aquifex aeolicus in Complex with the Substrate-Analog Inhibitor TU-514 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-12-17 _Entry.Accession_date 2002-12-18 _Entry.Last_release_date 2003-09-05 _Entry.Original_release_date 2003-09-05 _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 Brian Coggins . E. . 5627 2 Xuechen Li . . . 5627 3 Ole Hindsgaul . . . 5627 4 Christian Raetz . R.H. . 5627 5 Pei Zhou . . . 5627 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5627 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1889 5627 '13C chemical shifts' 902 5627 '15N chemical shifts' 266 5627 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 . . 2003-09-05 2002-12-17 original author . 5627 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5627 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22768440 _Citation.DOI . _Citation.PubMed_ID 12833153 _Citation.Full_citation . _Citation.Title 'Structure of the LpxC Deacetylase with a Bound Substrate-analog Inhibitor' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 8 _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 645 _Citation.Page_last 651 _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 Brian Coggins . E. . 5627 1 2 Xuechen Li . . . 5627 1 3 Amanda McClerren . L. . 5627 1 4 Ole Hindsgaul . . . 5627 1 5 Christian Raetz . R.H. . 5627 1 6 Pei Zhou . . . 5627 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Lipid A biosynthesis' 5627 1 LpxC 5627 1 TU-514 5627 1 'UDP-3-O-acyl-GlcNAc deacetylase' 5627 1 'UDP-3-O-(R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase' 5627 1 stop_ save_ save_JBNMR_citation _Citation.Sf_category citations _Citation.Sf_framecode JBNMR_citation _Citation.Entry_ID 5627 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of the 1H, 13C and 15N Resonances of the LpxC Deacetylase from Aquifex aeolicus in Complex with the Substrate-Analog Inhibitor TU-514 ; _Citation.Status . _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 201 _Citation.Page_last 202 _Citation.Year 2004 _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 Brian Coggins . E. . 5627 2 2 Xuechen Li . . . 5627 2 3 Ole Hindsgaul . . . 5627 2 4 Christian Raetz . R.H. . 5627 2 5 Pei Zhou . . . 5627 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Lipid A biosynthesis' 5627 2 LpxC 5627 2 TU-514 5627 2 'UDP-3-O-acyl-GlcNAc deacetylase' 5627 2 'UDP-3-O-(R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase' 5627 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_AaLpxC_TU-514_complex _Assembly.Sf_category assembly _Assembly.Sf_framecode system_AaLpxC_TU-514_complex _Assembly.Entry_ID 5627 _Assembly.ID 1 _Assembly.Name 'A. aeolicus UDP-3-O-acyl-GlcNAc deacetylase in complex with TU-514' _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 . _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 5627 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 'A. aeolicus LpxC' 1 $AaLpxC . . . native . . . . . 5627 1 2 TU-514 3 $TUX . . . native . . . . . 5627 1 3 'Zinc ion' 2 $ZN . . . native . . . . . 5627 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'A. aeolicus UDP-3-O-acyl-GlcNAc deacetylase in complex with TU-514' system 5627 1 'AaLpxC/TU-514 complex' abbreviation 5627 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Deacetylates the Lipid A precursor UDP-3-O-acyl-N-acetylglucosamine' 5627 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AaLpxC _Entity.Sf_category entity _Entity.Sf_framecode AaLpxC _Entity.Entry_ID 5627 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'UDP-3-O-acyl-GlcNAc deacetylase' _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 ; MGLEKTVKEKLSFEGVGIHT GEYSKLIIHPEKEGTGIRFF KNGVYIPARHEFVVHTNHST DLGFKGQRIKTVEHILSVLH LLEITNVTIEVIGNEIPILD GSGWEFYEAIRKNILNQNRE IDYFVVEEPIIVEDEGRLIK AEPSDTLEVTYEGEFKNFLG RQKFTFVEGNEEEIVLARTF CFDWEIEHIKKVGLGKGGSL KNTLVLGKDKVYNPEGLRYE NEPVRHKVFDLIGDLYLLGS PVKGKFYSFRGGHSLNVKLV KELAKKQKLTRDLPHLPSVQ AL ; _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 282 _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 32145 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 BMRB 17416 . AaLpxC . . . . . 97.16 274 99.64 99.64 0.00e+00 . . . . 5627 1 2 no PDB 1P42 . "Crystal Structure Of Aquifex Aeolicus Lpxc Deacetylase (zinc-inhibited Form)" . . . . . 95.74 270 99.63 99.63 0.00e+00 . . . . 5627 1 3 no PDB 1XXE . "Rdc Refined Solution Structure Of The AalpxcTU-514 Complex" . . . . . 100.00 282 100.00 100.00 0.00e+00 . . . . 5627 1 4 no PDB 1YH8 . "Crystal Structure Of Aquifex Aeolicus Lpxc Deacetylase Complexed With Palmitate" . . . . . 95.74 270 99.63 99.63 0.00e+00 . . . . 5627 1 5 no PDB 1YHC . "Crystal Structure Of Aquifex Aeolicus Lpxc Deacetylase Complexed With Cacodylate" . . . . . 95.74 270 99.63 99.63 0.00e+00 . . . . 5627 1 6 no PDB 2GO3 . "Crystal Structure Of Aquifex Aeolicus Lpxc Complexed With Imidazole." . . . . . 94.68 267 99.63 99.63 0.00e+00 . . . . 5627 1 7 no PDB 2GO4 . "Crystal Structure Of Aquifex Aeolicus Lpxc Complexed With Tu-514" . . . . . 94.68 267 99.63 99.63 0.00e+00 . . . . 5627 1 8 no PDB 2IER . "Crystal Structure Of Aquifex Aeolicus Lpxc Complexed With Uridine 5'- Diphosphate" . . . . . 96.10 271 99.63 99.63 0.00e+00 . . . . 5627 1 9 no PDB 2IES . "Crystal Structure Of Aquifex Aeolicus Lpxc Complexed With Pyrophosphate" . . . . . 96.10 271 99.63 99.63 0.00e+00 . . . . 5627 1 10 no PDB 2J65 . "Structure Of Lpxc From Aquifex Aeolicus In Complex With Udp" . . . . . 96.10 271 99.63 99.63 0.00e+00 . . . . 5627 1 11 no PDB 2JT2 . "Solution Structure Of The Aquifex Aeolicus Lpxc- Chir-090 Complex" . . . . . 97.16 274 99.64 99.64 0.00e+00 . . . . 5627 1 12 no PDB 2O3Z . "X-Ray Crystal Structure Of Lpxc Complexed With 3-Heptyloxybenzoate" . . . . . 96.10 271 99.63 99.63 0.00e+00 . . . . 5627 1 13 no PDB 3P3C . "Crystal Structure Of The Aquifex Aeolicus LpxcLPC-009 Complex" . . . . . 97.16 274 99.64 99.64 0.00e+00 . . . . 5627 1 14 no PDB 3P76 . "X-Ray Crystal Structure Of Aquifex Aeolicus Lpxc Complexed Sch1379777" . . . . . 96.10 271 99.63 99.63 0.00e+00 . . . . 5627 1 15 no PDB 4OZE . "A.aolicus Lpxc In Complex With Native Product" . . . . . 100.00 282 100.00 100.00 0.00e+00 . . . . 5627 1 16 no PDB 4U3B . "Lpxc From A.aaeolicus In Complex With The Mmp Inhibitor 4-[[4-(4- Chlorophenoxy)phenyl]sulfanylmethyl]tetrahydropyran-4-carbohy" . . . . . 96.10 271 99.63 99.63 0.00e+00 . . . . 5627 1 17 no PDB 4U3D . "Lpxc From A.aaeolicus In Complex With 4-[[4-[2-[4-(morpholinomethyl) Phenyl]ethynyl]phenoxy]methyl]tetrahydropyran-4-carbohydro" . . . . . 96.10 271 99.63 99.63 0.00e+00 . . . . 5627 1 18 no GB AAC07605 . "UDP-3-0-acyl N-acetylglcosamine deacetylase [Aquifex aeolicus VF5]" . . . . . 100.00 282 100.00 100.00 0.00e+00 . . . . 5627 1 19 no REF NP_214214 . "UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase [Aquifex aeolicus VF5]" . . . . . 100.00 282 100.00 100.00 0.00e+00 . . . . 5627 1 20 no REF WP_010881151 . "UDP-3-O-(3-hydroxymyristoyl) glucosamine N-acyltransferase [Aquifex aeolicus]" . . . . . 100.00 282 100.00 100.00 0.00e+00 . . . . 5627 1 21 no SP O67648 . "RecName: Full=UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase; AltName: Full=UDP-3-O-acyl-GlcNAc deacetylase [Aqui" . . . . . 100.00 282 100.00 100.00 0.00e+00 . . . . 5627 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'UDP-3-O-acyl-GlcNAc deacetylase' common 5627 1 LpxC abbreviation 5627 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 . 5627 1 2 . GLY . 5627 1 3 . LEU . 5627 1 4 . GLU . 5627 1 5 . LYS . 5627 1 6 . THR . 5627 1 7 . VAL . 5627 1 8 . LYS . 5627 1 9 . GLU . 5627 1 10 . LYS . 5627 1 11 . LEU . 5627 1 12 . SER . 5627 1 13 . PHE . 5627 1 14 . GLU . 5627 1 15 . GLY . 5627 1 16 . VAL . 5627 1 17 . GLY . 5627 1 18 . ILE . 5627 1 19 . HIS . 5627 1 20 . THR . 5627 1 21 . GLY . 5627 1 22 . GLU . 5627 1 23 . TYR . 5627 1 24 . SER . 5627 1 25 . LYS . 5627 1 26 . LEU . 5627 1 27 . ILE . 5627 1 28 . ILE . 5627 1 29 . HIS . 5627 1 30 . PRO . 5627 1 31 . GLU . 5627 1 32 . LYS . 5627 1 33 . GLU . 5627 1 34 . GLY . 5627 1 35 . THR . 5627 1 36 . GLY . 5627 1 37 . ILE . 5627 1 38 . ARG . 5627 1 39 . PHE . 5627 1 40 . PHE . 5627 1 41 . LYS . 5627 1 42 . ASN . 5627 1 43 . GLY . 5627 1 44 . VAL . 5627 1 45 . TYR . 5627 1 46 . ILE . 5627 1 47 . PRO . 5627 1 48 . ALA . 5627 1 49 . ARG . 5627 1 50 . HIS . 5627 1 51 . GLU . 5627 1 52 . PHE . 5627 1 53 . VAL . 5627 1 54 . VAL . 5627 1 55 . HIS . 5627 1 56 . THR . 5627 1 57 . ASN . 5627 1 58 . HIS . 5627 1 59 . SER . 5627 1 60 . THR . 5627 1 61 . ASP . 5627 1 62 . LEU . 5627 1 63 . GLY . 5627 1 64 . PHE . 5627 1 65 . LYS . 5627 1 66 . GLY . 5627 1 67 . GLN . 5627 1 68 . ARG . 5627 1 69 . ILE . 5627 1 70 . LYS . 5627 1 71 . THR . 5627 1 72 . VAL . 5627 1 73 . GLU . 5627 1 74 . HIS . 5627 1 75 . ILE . 5627 1 76 . LEU . 5627 1 77 . SER . 5627 1 78 . VAL . 5627 1 79 . LEU . 5627 1 80 . HIS . 5627 1 81 . LEU . 5627 1 82 . LEU . 5627 1 83 . GLU . 5627 1 84 . ILE . 5627 1 85 . THR . 5627 1 86 . ASN . 5627 1 87 . VAL . 5627 1 88 . THR . 5627 1 89 . ILE . 5627 1 90 . GLU . 5627 1 91 . VAL . 5627 1 92 . ILE . 5627 1 93 . GLY . 5627 1 94 . ASN . 5627 1 95 . GLU . 5627 1 96 . ILE . 5627 1 97 . PRO . 5627 1 98 . ILE . 5627 1 99 . LEU . 5627 1 100 . ASP . 5627 1 101 . GLY . 5627 1 102 . SER . 5627 1 103 . GLY . 5627 1 104 . TRP . 5627 1 105 . GLU . 5627 1 106 . PHE . 5627 1 107 . TYR . 5627 1 108 . GLU . 5627 1 109 . ALA . 5627 1 110 . ILE . 5627 1 111 . ARG . 5627 1 112 . LYS . 5627 1 113 . ASN . 5627 1 114 . ILE . 5627 1 115 . LEU . 5627 1 116 . ASN . 5627 1 117 . GLN . 5627 1 118 . ASN . 5627 1 119 . ARG . 5627 1 120 . GLU . 5627 1 121 . ILE . 5627 1 122 . ASP . 5627 1 123 . TYR . 5627 1 124 . PHE . 5627 1 125 . VAL . 5627 1 126 . VAL . 5627 1 127 . GLU . 5627 1 128 . GLU . 5627 1 129 . PRO . 5627 1 130 . ILE . 5627 1 131 . ILE . 5627 1 132 . VAL . 5627 1 133 . GLU . 5627 1 134 . ASP . 5627 1 135 . GLU . 5627 1 136 . GLY . 5627 1 137 . ARG . 5627 1 138 . LEU . 5627 1 139 . ILE . 5627 1 140 . LYS . 5627 1 141 . ALA . 5627 1 142 . GLU . 5627 1 143 . PRO . 5627 1 144 . SER . 5627 1 145 . ASP . 5627 1 146 . THR . 5627 1 147 . LEU . 5627 1 148 . GLU . 5627 1 149 . VAL . 5627 1 150 . THR . 5627 1 151 . TYR . 5627 1 152 . GLU . 5627 1 153 . GLY . 5627 1 154 . GLU . 5627 1 155 . PHE . 5627 1 156 . LYS . 5627 1 157 . ASN . 5627 1 158 . PHE . 5627 1 159 . LEU . 5627 1 160 . GLY . 5627 1 161 . ARG . 5627 1 162 . GLN . 5627 1 163 . LYS . 5627 1 164 . PHE . 5627 1 165 . THR . 5627 1 166 . PHE . 5627 1 167 . VAL . 5627 1 168 . GLU . 5627 1 169 . GLY . 5627 1 170 . ASN . 5627 1 171 . GLU . 5627 1 172 . GLU . 5627 1 173 . GLU . 5627 1 174 . ILE . 5627 1 175 . VAL . 5627 1 176 . LEU . 5627 1 177 . ALA . 5627 1 178 . ARG . 5627 1 179 . THR . 5627 1 180 . PHE . 5627 1 181 . CYS . 5627 1 182 . PHE . 5627 1 183 . ASP . 5627 1 184 . TRP . 5627 1 185 . GLU . 5627 1 186 . ILE . 5627 1 187 . GLU . 5627 1 188 . HIS . 5627 1 189 . ILE . 5627 1 190 . LYS . 5627 1 191 . LYS . 5627 1 192 . VAL . 5627 1 193 . GLY . 5627 1 194 . LEU . 5627 1 195 . GLY . 5627 1 196 . LYS . 5627 1 197 . GLY . 5627 1 198 . GLY . 5627 1 199 . SER . 5627 1 200 . LEU . 5627 1 201 . LYS . 5627 1 202 . ASN . 5627 1 203 . THR . 5627 1 204 . LEU . 5627 1 205 . VAL . 5627 1 206 . LEU . 5627 1 207 . GLY . 5627 1 208 . LYS . 5627 1 209 . ASP . 5627 1 210 . LYS . 5627 1 211 . VAL . 5627 1 212 . TYR . 5627 1 213 . ASN . 5627 1 214 . PRO . 5627 1 215 . GLU . 5627 1 216 . GLY . 5627 1 217 . LEU . 5627 1 218 . ARG . 5627 1 219 . TYR . 5627 1 220 . GLU . 5627 1 221 . ASN . 5627 1 222 . GLU . 5627 1 223 . PRO . 5627 1 224 . VAL . 5627 1 225 . ARG . 5627 1 226 . HIS . 5627 1 227 . LYS . 5627 1 228 . VAL . 5627 1 229 . PHE . 5627 1 230 . ASP . 5627 1 231 . LEU . 5627 1 232 . ILE . 5627 1 233 . GLY . 5627 1 234 . ASP . 5627 1 235 . LEU . 5627 1 236 . TYR . 5627 1 237 . LEU . 5627 1 238 . LEU . 5627 1 239 . GLY . 5627 1 240 . SER . 5627 1 241 . PRO . 5627 1 242 . VAL . 5627 1 243 . LYS . 5627 1 244 . GLY . 5627 1 245 . LYS . 5627 1 246 . PHE . 5627 1 247 . TYR . 5627 1 248 . SER . 5627 1 249 . PHE . 5627 1 250 . ARG . 5627 1 251 . GLY . 5627 1 252 . GLY . 5627 1 253 . HIS . 5627 1 254 . SER . 5627 1 255 . LEU . 5627 1 256 . ASN . 5627 1 257 . VAL . 5627 1 258 . LYS . 5627 1 259 . LEU . 5627 1 260 . VAL . 5627 1 261 . LYS . 5627 1 262 . GLU . 5627 1 263 . LEU . 5627 1 264 . ALA . 5627 1 265 . LYS . 5627 1 266 . LYS . 5627 1 267 . GLN . 5627 1 268 . LYS . 5627 1 269 . LEU . 5627 1 270 . THR . 5627 1 271 . ARG . 5627 1 272 . ASP . 5627 1 273 . LEU . 5627 1 274 . PRO . 5627 1 275 . HIS . 5627 1 276 . LEU . 5627 1 277 . PRO . 5627 1 278 . SER . 5627 1 279 . VAL . 5627 1 280 . GLN . 5627 1 281 . ALA . 5627 1 282 . LEU . 5627 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 5627 1 . GLY 2 2 5627 1 . LEU 3 3 5627 1 . GLU 4 4 5627 1 . LYS 5 5 5627 1 . THR 6 6 5627 1 . VAL 7 7 5627 1 . LYS 8 8 5627 1 . GLU 9 9 5627 1 . LYS 10 10 5627 1 . LEU 11 11 5627 1 . SER 12 12 5627 1 . PHE 13 13 5627 1 . GLU 14 14 5627 1 . GLY 15 15 5627 1 . VAL 16 16 5627 1 . GLY 17 17 5627 1 . ILE 18 18 5627 1 . HIS 19 19 5627 1 . THR 20 20 5627 1 . GLY 21 21 5627 1 . GLU 22 22 5627 1 . TYR 23 23 5627 1 . SER 24 24 5627 1 . LYS 25 25 5627 1 . LEU 26 26 5627 1 . ILE 27 27 5627 1 . ILE 28 28 5627 1 . HIS 29 29 5627 1 . PRO 30 30 5627 1 . GLU 31 31 5627 1 . LYS 32 32 5627 1 . GLU 33 33 5627 1 . GLY 34 34 5627 1 . THR 35 35 5627 1 . GLY 36 36 5627 1 . ILE 37 37 5627 1 . ARG 38 38 5627 1 . PHE 39 39 5627 1 . PHE 40 40 5627 1 . LYS 41 41 5627 1 . ASN 42 42 5627 1 . GLY 43 43 5627 1 . VAL 44 44 5627 1 . TYR 45 45 5627 1 . ILE 46 46 5627 1 . PRO 47 47 5627 1 . ALA 48 48 5627 1 . ARG 49 49 5627 1 . HIS 50 50 5627 1 . GLU 51 51 5627 1 . PHE 52 52 5627 1 . VAL 53 53 5627 1 . VAL 54 54 5627 1 . HIS 55 55 5627 1 . THR 56 56 5627 1 . ASN 57 57 5627 1 . HIS 58 58 5627 1 . SER 59 59 5627 1 . THR 60 60 5627 1 . ASP 61 61 5627 1 . LEU 62 62 5627 1 . GLY 63 63 5627 1 . PHE 64 64 5627 1 . LYS 65 65 5627 1 . GLY 66 66 5627 1 . GLN 67 67 5627 1 . ARG 68 68 5627 1 . ILE 69 69 5627 1 . LYS 70 70 5627 1 . THR 71 71 5627 1 . VAL 72 72 5627 1 . GLU 73 73 5627 1 . HIS 74 74 5627 1 . ILE 75 75 5627 1 . LEU 76 76 5627 1 . SER 77 77 5627 1 . VAL 78 78 5627 1 . LEU 79 79 5627 1 . HIS 80 80 5627 1 . LEU 81 81 5627 1 . LEU 82 82 5627 1 . GLU 83 83 5627 1 . ILE 84 84 5627 1 . THR 85 85 5627 1 . ASN 86 86 5627 1 . VAL 87 87 5627 1 . THR 88 88 5627 1 . ILE 89 89 5627 1 . GLU 90 90 5627 1 . VAL 91 91 5627 1 . ILE 92 92 5627 1 . GLY 93 93 5627 1 . ASN 94 94 5627 1 . GLU 95 95 5627 1 . ILE 96 96 5627 1 . PRO 97 97 5627 1 . ILE 98 98 5627 1 . LEU 99 99 5627 1 . ASP 100 100 5627 1 . GLY 101 101 5627 1 . SER 102 102 5627 1 . GLY 103 103 5627 1 . TRP 104 104 5627 1 . GLU 105 105 5627 1 . PHE 106 106 5627 1 . TYR 107 107 5627 1 . GLU 108 108 5627 1 . ALA 109 109 5627 1 . ILE 110 110 5627 1 . ARG 111 111 5627 1 . LYS 112 112 5627 1 . ASN 113 113 5627 1 . ILE 114 114 5627 1 . LEU 115 115 5627 1 . ASN 116 116 5627 1 . GLN 117 117 5627 1 . ASN 118 118 5627 1 . ARG 119 119 5627 1 . GLU 120 120 5627 1 . ILE 121 121 5627 1 . ASP 122 122 5627 1 . TYR 123 123 5627 1 . PHE 124 124 5627 1 . VAL 125 125 5627 1 . VAL 126 126 5627 1 . GLU 127 127 5627 1 . GLU 128 128 5627 1 . PRO 129 129 5627 1 . ILE 130 130 5627 1 . ILE 131 131 5627 1 . VAL 132 132 5627 1 . GLU 133 133 5627 1 . ASP 134 134 5627 1 . GLU 135 135 5627 1 . GLY 136 136 5627 1 . ARG 137 137 5627 1 . LEU 138 138 5627 1 . ILE 139 139 5627 1 . LYS 140 140 5627 1 . ALA 141 141 5627 1 . GLU 142 142 5627 1 . PRO 143 143 5627 1 . SER 144 144 5627 1 . ASP 145 145 5627 1 . THR 146 146 5627 1 . LEU 147 147 5627 1 . GLU 148 148 5627 1 . VAL 149 149 5627 1 . THR 150 150 5627 1 . TYR 151 151 5627 1 . GLU 152 152 5627 1 . GLY 153 153 5627 1 . GLU 154 154 5627 1 . PHE 155 155 5627 1 . LYS 156 156 5627 1 . ASN 157 157 5627 1 . PHE 158 158 5627 1 . LEU 159 159 5627 1 . GLY 160 160 5627 1 . ARG 161 161 5627 1 . GLN 162 162 5627 1 . LYS 163 163 5627 1 . PHE 164 164 5627 1 . THR 165 165 5627 1 . PHE 166 166 5627 1 . VAL 167 167 5627 1 . GLU 168 168 5627 1 . GLY 169 169 5627 1 . ASN 170 170 5627 1 . GLU 171 171 5627 1 . GLU 172 172 5627 1 . GLU 173 173 5627 1 . ILE 174 174 5627 1 . VAL 175 175 5627 1 . LEU 176 176 5627 1 . ALA 177 177 5627 1 . ARG 178 178 5627 1 . THR 179 179 5627 1 . PHE 180 180 5627 1 . CYS 181 181 5627 1 . PHE 182 182 5627 1 . ASP 183 183 5627 1 . TRP 184 184 5627 1 . GLU 185 185 5627 1 . ILE 186 186 5627 1 . GLU 187 187 5627 1 . HIS 188 188 5627 1 . ILE 189 189 5627 1 . LYS 190 190 5627 1 . LYS 191 191 5627 1 . VAL 192 192 5627 1 . GLY 193 193 5627 1 . LEU 194 194 5627 1 . GLY 195 195 5627 1 . LYS 196 196 5627 1 . GLY 197 197 5627 1 . GLY 198 198 5627 1 . SER 199 199 5627 1 . LEU 200 200 5627 1 . LYS 201 201 5627 1 . ASN 202 202 5627 1 . THR 203 203 5627 1 . LEU 204 204 5627 1 . VAL 205 205 5627 1 . LEU 206 206 5627 1 . GLY 207 207 5627 1 . LYS 208 208 5627 1 . ASP 209 209 5627 1 . LYS 210 210 5627 1 . VAL 211 211 5627 1 . TYR 212 212 5627 1 . ASN 213 213 5627 1 . PRO 214 214 5627 1 . GLU 215 215 5627 1 . GLY 216 216 5627 1 . LEU 217 217 5627 1 . ARG 218 218 5627 1 . TYR 219 219 5627 1 . GLU 220 220 5627 1 . ASN 221 221 5627 1 . GLU 222 222 5627 1 . PRO 223 223 5627 1 . VAL 224 224 5627 1 . ARG 225 225 5627 1 . HIS 226 226 5627 1 . LYS 227 227 5627 1 . VAL 228 228 5627 1 . PHE 229 229 5627 1 . ASP 230 230 5627 1 . LEU 231 231 5627 1 . ILE 232 232 5627 1 . GLY 233 233 5627 1 . ASP 234 234 5627 1 . LEU 235 235 5627 1 . TYR 236 236 5627 1 . LEU 237 237 5627 1 . LEU 238 238 5627 1 . GLY 239 239 5627 1 . SER 240 240 5627 1 . PRO 241 241 5627 1 . VAL 242 242 5627 1 . LYS 243 243 5627 1 . GLY 244 244 5627 1 . LYS 245 245 5627 1 . PHE 246 246 5627 1 . TYR 247 247 5627 1 . SER 248 248 5627 1 . PHE 249 249 5627 1 . ARG 250 250 5627 1 . GLY 251 251 5627 1 . GLY 252 252 5627 1 . HIS 253 253 5627 1 . SER 254 254 5627 1 . LEU 255 255 5627 1 . ASN 256 256 5627 1 . VAL 257 257 5627 1 . LYS 258 258 5627 1 . LEU 259 259 5627 1 . VAL 260 260 5627 1 . LYS 261 261 5627 1 . GLU 262 262 5627 1 . LEU 263 263 5627 1 . ALA 264 264 5627 1 . LYS 265 265 5627 1 . LYS 266 266 5627 1 . GLN 267 267 5627 1 . LYS 268 268 5627 1 . LEU 269 269 5627 1 . THR 270 270 5627 1 . ARG 271 271 5627 1 . ASP 272 272 5627 1 . LEU 273 273 5627 1 . PRO 274 274 5627 1 . HIS 275 275 5627 1 . LEU 276 276 5627 1 . PRO 277 277 5627 1 . SER 278 278 5627 1 . VAL 279 279 5627 1 . GLN 280 280 5627 1 . ALA 281 281 5627 1 . LEU 282 282 5627 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 5627 _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 . 5627 2 stop_ save_ save_TUX _Entity.Sf_category entity _Entity.Sf_framecode TUX _Entity.Entry_ID 5627 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name TUX _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 TUX _Entity.Nonpolymer_comp_label $chem_comp_TUX _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 . TUX . 5627 3 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 5627 _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 $AaLpxC . 63363 organism . 'Aquifex aeolicus' 'Aquifex aeolicus' . . Bacteria . Aquifex aeolicus . . . . . . . . . . . . cytoplasm . . . LpxC . . . . 5627 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 5627 _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 $AaLpxC . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)STAR . . . . . . . . . . . . . . . . . . . . . . 5627 1 2 3 $TUX . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5627 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 5627 _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 2008-12-05 _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 Thu Jun 2 09:48:05 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 5627 ZN InChI=1/Zn/q+2 InChI InChI 1.02b 5627 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 5627 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 5627 ZN [Zn++] SMILES CACTVS 3.341 5627 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5627 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 5627 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 5627 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5627 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 . 5627 ZN stop_ save_ save_chem_comp_TUX _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TUX _Chem_comp.Entry_ID 5627 _Chem_comp.ID TUX _Chem_comp.Provenance . _Chem_comp.Name 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code TUX _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2003-03-18 _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 TUX _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 TU-514 _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C22 H41 N O7' _Chem_comp.Formula_weight 431.563 _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 Tue Jun 14 13:17:00 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 O=C(NO)CC1C(OC(=O)CCCCCCCCCCCCC)C(O)C(OC1)CO SMILES ACDLabs 10.04 5627 TUX CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@H](CO)[C@H]1O)CC(=O)NO SMILES_CANONICAL CACTVS 3.341 5627 TUX CCCCCCCCCCCCCC(=O)O[CH]1[CH](CO[CH](CO)[CH]1O)CC(=O)NO SMILES CACTVS 3.341 5627 TUX CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@@H]([C@H]1O)CO)CC(=O)NO SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5627 TUX CCCCCCCCCCCCCC(=O)OC1C(COC(C1O)CO)CC(=O)NO SMILES 'OpenEye OEToolkits' 1.5.0 5627 TUX InChI=1S/C22H41NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)30-22-17(14-19(25)23-28)16-29-18(15-24)21(22)27/h17-18,21-22,24,27-28H,2-16H2,1H3,(H,23,25)/t17-,18+,21+,22+/m0/s1 InChI InChI 1.03 5627 TUX INAPDIIIYSWKOC-XHIHJMKYSA-N InChIKey InChI 1.03 5627 TUX 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 1,5-anhydro-2-deoxy-2-[2-(hydroxyamino)-2-oxoethyl]-3-O-tetradecanoyl-D-glucitol 'SYSTEMATIC NAME' ACDLabs 10.04 5627 TUX '[(2R,3S,4R,5S)-3-hydroxy-5-[2-(hydroxyamino)-2-oxo-ethyl]-2-(hydroxymethyl)oxan-4-yl] tetradecanoate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5627 TUX 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 C3G . C3G . . C . . R 0 . . . . no no . . . . 5.466 . -5.158 . 6.917 . 0.451 0.102 -4.125 1 . 5627 TUX C4G . C4G . . C . . S 0 . . . . no no . . . . 5.507 . -6.627 . 7.308 . 1.858 -0.368 -4.512 2 . 5627 TUX C5G . C5G . . C . . R 0 . . . . no no . . . . 4.921 . -7.490 . 6.193 . 2.227 0.228 -5.872 3 . 5627 TUX C2G . C2G . . C . . S 0 . . . . no no . . . . 4.038 . -4.770 . 6.572 . -0.511 -0.229 -5.270 4 . 5627 TUX C1G . C1G . . C . . N 0 . . . . no no . . . . 3.490 . -5.682 . 5.475 . 0.038 0.360 -6.571 5 . 5627 TUX O5G . O5G . . O . . N 0 . . . . no no . . . . 3.582 . -7.072 . 5.855 . 1.307 -0.219 -6.866 6 . 5627 TUX O3G . O3G . . O . . N 0 . . . . no no . . . . 5.957 . -4.324 . 7.983 . 0.024 -0.579 -2.916 7 . 5627 TUX O1A . O1A . . O . . N 0 . . . . no no . . . . 8.219 . -4.409 . 7.500 . 0.870 1.013 -1.639 8 . 5627 TUX C1A . C1A . . C . . N 0 . . . . no no . . . . 7.326 . -4.609 . 8.323 . 0.283 -0.039 -1.715 9 . 5627 TUX C2A . C2A . . C . . N 0 . . . . no no . . . . 7.674 . -5.102 . 9.718 . -0.160 -0.747 -0.460 10 . 5627 TUX C3A . C3A . . C . . N 0 . . . . no no . . . . 8.618 . -4.101 . 10.376 . 0.255 0.073 0.761 11 . 5627 TUX C4A . C4A . . C . . N 0 . . . . no no . . . . 8.997 . -4.521 . 11.794 . -0.194 -0.644 2.035 12 . 5627 TUX C5A . C5A . . C . . N 0 . . . . no no . . . . 9.933 . -3.469 . 12.383 . 0.220 0.176 3.257 13 . 5627 TUX C6A . C6A . . C . . N 0 . . . . no no . . . . 10.349 . -3.795 . 13.813 . -0.229 -0.541 4.531 14 . 5627 TUX C7A . C7A . . C . . N 0 . . . . no no . . . . 11.269 . -2.683 . 14.305 . 0.186 0.279 5.754 15 . 5627 TUX C8A . C8A . . C . . N 0 . . . . no no . . . . 11.738 . -2.914 . 15.738 . -0.263 -0.439 7.027 16 . 5627 TUX C9A . C9A . . C . . N 0 . . . . no no . . . . 12.656 . -1.769 . 16.151 . 0.151 0.382 8.250 17 . 5627 TUX CAA . CAA . . C . . N 0 . . . . no no . . . . 13.174 . -1.960 . 17.572 . -0.298 -0.336 9.523 18 . 5627 TUX CBA . CBA . . C . . N 0 . . . . no no . . . . 14.099 . -0.805 . 17.944 . 0.117 0.484 10.746 19 . 5627 TUX CCA . CCA . . C . . N 0 . . . . no no . . . . 14.642 . -0.982 . 19.356 . -0.332 -0.233 12.020 20 . 5627 TUX CDA . CDA . . C . . N 0 . . . . no no . . . . 15.561 . 0.181 . 19.719 . 0.082 0.587 13.242 21 . 5627 TUX CEA . CEA . . C . . N 0 . . . . no no . . . . 16.111 . 0.008 . 21.132 . -0.367 -0.130 14.516 22 . 5627 TUX CZH . CZH . . C . . N 0 . . . . no no . . . . 3.979 . -3.299 . 6.159 . -1.886 0.373 -4.974 23 . 5627 TUX CYH . CYH . . C . . N 0 . . . . no no . . . . 2.534 . -2.874 . 5.943 . -2.832 0.046 -6.100 24 . 5627 TUX OYH . OYH . . O . . N 0 . . . . no no . . . . 1.658 . -3.721 . 5.781 . -2.445 -0.604 -7.047 25 . 5627 TUX NXH . NXH . . N . . N 0 . . . . no no . . . . 2.280 . -1.570 . 5.951 . -4.108 0.478 -6.056 26 . 5627 TUX OXH . OXH . . O . . N 0 . . . . no no . . . . 0.935 . -1.096 . 5.761 . -4.997 0.170 -7.114 27 . 5627 TUX O4G . O4G . . O . . N 0 . . . . no no . . . . 6.844 . -7.026 . 7.569 . 2.801 0.063 -3.528 28 . 5627 TUX C6G . C6G . . C . . N 0 . . . . no no . . . . 4.858 . -8.960 . 6.557 . 3.642 -0.212 -6.253 29 . 5627 TUX O6G . O6G . . O . . N 0 . . . . no no . . . . 4.329 . -9.731 . 5.488 . 3.993 0.352 -7.517 30 . 5627 TUX H3G . H3G . . H . . N 0 . . . . no no . . . . 6.091 . -5.008 . 6.026 . 0.460 1.178 -3.955 31 . 5627 TUX H4G . H4G . . H . . N 0 . . . . no no . . . . 4.880 . -6.757 . 8.201 . 1.870 -1.456 -4.576 32 . 5627 TUX H5G . H5G . . H . . N 0 . . . . no no . . . . 5.545 . -7.360 . 5.297 . 2.191 1.316 -5.809 33 . 5627 TUX H2G . H2G . . H . . N 0 . . . . no no . . . . 3.433 . -4.912 . 7.478 . -0.601 -1.311 -5.370 34 . 5627 TUX H1G1 . H1G1 . . H . . N 0 . . . . no no . . . . 4.103 . -5.553 . 4.572 . -0.654 0.148 -7.386 35 . 5627 TUX H1G2 . H1G2 . . H . . N 0 . . . . no no . . . . 2.446 . -5.484 . 5.220 . 0.148 1.439 -6.462 36 . 5627 TUX H2A2 . H2A2 . . H . . N 0 . . . . no no . . . . 8.159 . -6.087 . 9.661 . 0.307 -1.730 -0.413 37 . 5627 TUX H2A3 . H2A3 . . H . . N 0 . . . . no no . . . . 6.759 . -5.189 . 10.321 . -1.244 -0.860 -0.471 38 . 5627 TUX H3A3 . H3A3 . . H . . N 0 . . . . no no . . . . 8.123 . -3.120 . 10.418 . -0.212 1.057 0.714 39 . 5627 TUX H3A2 . H3A2 . . H . . N 0 . . . . no no . . . . 9.530 . -4.018 . 9.768 . 1.339 0.186 0.772 40 . 5627 TUX H4A2 . H4A2 . . H . . N 0 . . . . no no . . . . 9.498 . -5.499 . 11.780 . 0.273 -1.628 2.082 41 . 5627 TUX H4A3 . H4A3 . . H . . N 0 . . . . no no . . . . 8.089 . -4.590 . 12.408 . -1.278 -0.757 2.025 42 . 5627 TUX H5A3 . H5A3 . . H . . N 0 . . . . no no . . . . 9.422 . -2.498 . 12.383 . -0.246 1.160 3.210 43 . 5627 TUX H5A2 . H5A2 . . H . . N 0 . . . . no no . . . . 10.853 . -3.421 . 11.777 . 1.304 0.289 3.268 44 . 5627 TUX H6A2 . H6A2 . . H . . N 0 . . . . no no . . . . 10.873 . -4.760 . 13.842 . 0.238 -1.525 4.578 45 . 5627 TUX H6A3 . H6A3 . . H . . N 0 . . . . no no . . . . 9.457 . -3.851 . 14.452 . -1.313 -0.655 4.521 46 . 5627 TUX H7A3 . H7A3 . . H . . N 0 . . . . no no . . . . 10.730 . -1.734 . 14.237 . -0.281 1.262 5.707 47 . 5627 TUX H7A2 . H7A2 . . H . . N 0 . . . . no no . . . . 12.148 . -2.634 . 13.650 . 1.270 0.392 5.764 48 . 5627 TUX H8A2 . H8A2 . . H . . N 0 . . . . no no . . . . 12.285 . -3.855 . 15.814 . 0.204 -1.422 7.074 49 . 5627 TUX H8A3 . H8A3 . . H . . N 0 . . . . no no . . . . 10.875 . -2.956 . 16.416 . -1.347 -0.552 7.017 50 . 5627 TUX H9A3 . H9A3 . . H . . N 0 . . . . no no . . . . 12.084 . -0.834 . 16.093 . -0.315 1.365 8.203 51 . 5627 TUX H9A2 . H9A2 . . H . . N 0 . . . . no no . . . . 13.501 . -1.709 . 15.456 . 1.235 0.495 8.260 52 . 5627 TUX HAA2 . HAA2 . . H . . N 0 . . . . no no . . . . 13.732 . -2.901 . 17.647 . 0.169 -1.319 9.570 53 . 5627 TUX HAA3 . HAA3 . . H . . N 0 . . . . no no . . . . 12.326 . -1.999 . 18.270 . -1.382 -0.449 9.513 54 . 5627 TUX HBA3 . HBA3 . . H . . N 0 . . . . no no . . . . 13.544 . 0.140 . 17.892 . -0.350 1.468 10.699 55 . 5627 TUX HBA2 . HBA2 . . H . . N 0 . . . . no no . . . . 14.946 . -0.776 . 17.246 . 1.201 0.598 10.756 56 . 5627 TUX HCA2 . HCA2 . . H . . N 0 . . . . no no . . . . 15.203 . -1.924 . 19.416 . 0.135 -1.216 12.066 57 . 5627 TUX HCA3 . HCA3 . . H . . N 0 . . . . no no . . . . 13.805 . -1.014 . 20.067 . -1.416 -0.346 12.009 58 . 5627 TUX HDA3 . HDA3 . . H . . N 0 . . . . no no . . . . 14.994 . 1.120 . 19.661 . -0.384 1.571 13.195 59 . 5627 TUX HDA2 . HDA2 . . H . . N 0 . . . . no no . . . . 16.400 . 0.223 . 19.010 . 1.166 0.700 13.252 60 . 5627 TUX HEA1 . HEA1 . . H . . N 0 . . . . no no . . . . 16.767 . 0.854 . 21.382 . -0.071 0.454 15.386 61 . 5627 TUX HEA2 . HEA2 . . H . . N 0 . . . . no no . . . . 16.685 . -0.925 . 21.187 . -1.451 -0.243 14.505 62 . 5627 TUX HEA3 . HEA3 . . H . . N 0 . . . . no no . . . . 15.286 . -0.033 . 21.858 . 0.100 -1.114 14.563 63 . 5627 TUX HZH2 . HZH2 . . H . . N 0 . . . . no no . . . . 4.573 . -3.124 . 5.256 . -1.795 1.455 -4.878 64 . 5627 TUX HZH3 . HZH3 . . H . . N 0 . . . . no no . . . . 4.400 . -2.696 . 6.975 . -2.272 -0.042 -4.043 65 . 5627 TUX HNH1 . HNH1 . . H . . N 0 . . . . no no . . . . 3.018 . -0.936 . 6.064 . -4.417 0.998 -5.298 66 . 5627 TUX HOH1 . HOH1 . . H . . N 0 . . . . no no . . . . 0.609 . -0.920 . 4.875 . -5.849 0.568 -6.888 67 . 5627 TUX HOG4 . HOG4 . . H . . N 0 . . . . no no . . . . 6.858 . -7.947 . 7.834 . 3.669 -0.251 -3.817 68 . 5627 TUX H6G2 . H6G2 . . H . . N 0 . . . . no no . . . . 4.226 . -9.081 . 7.447 . 3.678 -1.300 -6.318 69 . 5627 TUX H6G3 . H6G3 . . H . . N 0 . . . . no no . . . . 5.872 . -9.312 . 6.792 . 4.346 0.129 -5.494 70 . 5627 TUX HOG6 . HOG6 . . H . . N 0 . . . . no no . . . . 4.310 . -10.656 . 5.743 . 4.889 0.050 -7.719 71 . 5627 TUX stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C3G C4G no N 1 . 5627 TUX 2 . SING C3G C2G no N 2 . 5627 TUX 3 . SING C3G O3G no N 3 . 5627 TUX 4 . SING C3G H3G no N 4 . 5627 TUX 5 . SING C4G C5G no N 5 . 5627 TUX 6 . SING C4G O4G no N 6 . 5627 TUX 7 . SING C4G H4G no N 7 . 5627 TUX 8 . SING C5G O5G no N 8 . 5627 TUX 9 . SING C5G C6G no N 9 . 5627 TUX 10 . SING C5G H5G no N 10 . 5627 TUX 11 . SING C2G C1G no N 11 . 5627 TUX 12 . SING C2G CZH no N 12 . 5627 TUX 13 . SING C2G H2G no N 13 . 5627 TUX 14 . SING C1G O5G no N 14 . 5627 TUX 15 . SING C1G H1G1 no N 15 . 5627 TUX 16 . SING C1G H1G2 no N 16 . 5627 TUX 17 . SING O3G C1A no N 17 . 5627 TUX 18 . DOUB O1A C1A no N 18 . 5627 TUX 19 . SING C1A C2A no N 19 . 5627 TUX 20 . SING C2A C3A no N 20 . 5627 TUX 21 . SING C2A H2A2 no N 21 . 5627 TUX 22 . SING C2A H2A3 no N 22 . 5627 TUX 23 . SING C3A C4A no N 23 . 5627 TUX 24 . SING C3A H3A3 no N 24 . 5627 TUX 25 . SING C3A H3A2 no N 25 . 5627 TUX 26 . SING C4A C5A no N 26 . 5627 TUX 27 . SING C4A H4A2 no N 27 . 5627 TUX 28 . SING C4A H4A3 no N 28 . 5627 TUX 29 . SING C5A C6A no N 29 . 5627 TUX 30 . SING C5A H5A3 no N 30 . 5627 TUX 31 . SING C5A H5A2 no N 31 . 5627 TUX 32 . SING C6A C7A no N 32 . 5627 TUX 33 . SING C6A H6A2 no N 33 . 5627 TUX 34 . SING C6A H6A3 no N 34 . 5627 TUX 35 . SING C7A C8A no N 35 . 5627 TUX 36 . SING C7A H7A3 no N 36 . 5627 TUX 37 . SING C7A H7A2 no N 37 . 5627 TUX 38 . SING C8A C9A no N 38 . 5627 TUX 39 . SING C8A H8A2 no N 39 . 5627 TUX 40 . SING C8A H8A3 no N 40 . 5627 TUX 41 . SING C9A CAA no N 41 . 5627 TUX 42 . SING C9A H9A3 no N 42 . 5627 TUX 43 . SING C9A H9A2 no N 43 . 5627 TUX 44 . SING CAA CBA no N 44 . 5627 TUX 45 . SING CAA HAA2 no N 45 . 5627 TUX 46 . SING CAA HAA3 no N 46 . 5627 TUX 47 . SING CBA CCA no N 47 . 5627 TUX 48 . SING CBA HBA3 no N 48 . 5627 TUX 49 . SING CBA HBA2 no N 49 . 5627 TUX 50 . SING CCA CDA no N 50 . 5627 TUX 51 . SING CCA HCA2 no N 51 . 5627 TUX 52 . SING CCA HCA3 no N 52 . 5627 TUX 53 . SING CDA CEA no N 53 . 5627 TUX 54 . SING CDA HDA3 no N 54 . 5627 TUX 55 . SING CDA HDA2 no N 55 . 5627 TUX 56 . SING CEA HEA1 no N 56 . 5627 TUX 57 . SING CEA HEA2 no N 57 . 5627 TUX 58 . SING CEA HEA3 no N 58 . 5627 TUX 59 . SING CZH CYH no N 59 . 5627 TUX 60 . SING CZH HZH2 no N 60 . 5627 TUX 61 . SING CZH HZH3 no N 61 . 5627 TUX 62 . DOUB CYH OYH no N 62 . 5627 TUX 63 . SING CYH NXH no N 63 . 5627 TUX 64 . SING NXH OXH no N 64 . 5627 TUX 65 . SING NXH HNH1 no N 65 . 5627 TUX 66 . SING OXH HOH1 no N 66 . 5627 TUX 67 . SING O4G HOG4 no N 67 . 5627 TUX 68 . SING C6G O6G no N 68 . 5627 TUX 69 . SING C6G H6G2 no N 69 . 5627 TUX 70 . SING C6G H6G3 no N 70 . 5627 TUX 71 . SING O6G HOG6 no N 71 . 5627 TUX stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5627 _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 'UDP-3-O-acyl-GlcNAc deacetylase' '[U-13C; U-15N]' . . 1 $AaLpxC . . . 0.3 0.5 mM . . . . 5627 1 2 3,6-anhydro-3-deoxy-N-hydroxy-3-C-hydroxymethyl-4-O-myristoyl-D-gluco-heptonamide . . . 3 $TUX . . . 0.33 0.55 mM . . . . 5627 1 3 'sodium phosphate' . . . . . . . 25 . . mM . . . . 5627 1 4 'potassium chloride' . . . . . . . 150 . . mM . . . . 5627 1 5 dithiothreitol . . . . . . . 4 . . mM . . . . 5627 1 6 'deuterium oxide' [U-2H] . . . . . . 5 . . % . . . . 5627 1 7 'dimethyl sulfoxide' . . . . . . . 5 . . % . . . . 5627 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5627 _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 'UDP-3-O-acyl-GlcNAc deacetylase' '[U-2H; U-13C; U-15N]' . . 1 $AaLpxC . . . 0.3 0.5 mM . . . . 5627 2 2 3,6-anhydro-3-deoxy-N-hydroxy-3-C-hydroxymethyl-4-O-myristoyl-D-gluco-heptonamide . . . 3 $TUX . . . 0.33 0.55 mM . . . . 5627 2 3 'sodium phosphate' . . . . . . . 25 . . mM . . . . 5627 2 4 'potassium chloride' . . . . . . . 150 . . mM . . . . 5627 2 5 dithiothreitol . . . . . . . 4 . . mM . . . . 5627 2 6 'deuterium oxide' [U-2H] . . . . . . 5 . . % . . . . 5627 2 7 'dimethyl sulfoxide' . . . . . . . 5 . . % . . . . 5627 2 stop_ save_ ####################### # Sample conditions # ####################### save_Normal_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Normal_conditions _Sample_condition_list.Entry_ID 5627 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; The sample was equilibrated for 30 minutes under these conditions before the spectra were collected. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 na 5627 1 temperature 323 0.1 K 5627 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5627 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details Accelrys loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5627 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5627 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.30 _Software.Details ; Bartels, C., Xia, T.-H., Billeter, M., G?ntert, P. and W?thrich, K. (1995) J. Biomol. NMR, 5, 1-10. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectrum analysis' 5627 2 stop_ save_ save_PACES _Software.Sf_category software _Software.Sf_framecode PACES _Software.Entry_ID 5627 _Software.ID 3 _Software.Name PACES _Software.Version 1.0 _Software.Details ; Coggins, B.E. and Zhou, P. J. Biomol. NMR, submitted. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'sequential assignment' 5627 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5627 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5627 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 5627 _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_spectrometer_1 Varian INOVA . 600 . . . 5627 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 5627 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 5627 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $Normal_conditions . . . . . . . . . . . . . . . . . . . . . 5627 1 2 HNCA . . . . . . . . . . . . . . . . 1 $Normal_conditions . . . . . . . . . . . . . . . . . . . . . 5627 1 3 HN(CO)CA . . . . . . . . . . . . . . . . 1 $Normal_conditions . . . . . . . . . . . . . . . . . . . . . 5627 1 4 HN(CA)CB . . . . . . . . . . . . . . . . 1 $Normal_conditions . . . . . . . . . . . . . . . . . . . . . 5627 1 5 HN(COCA)CB . . . . . . . . . . . . . . . . 1 $Normal_conditions . . . . . . . . . . . . . . . . . . . . . 5627 1 6 HNCO . . . . . . . . . . . . . . . . 1 $Normal_conditions . . . . . . . . . . . . . . . . . . . . . 5627 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $Normal_conditions . . . . . . . . . . . . . . . . . . . . . 5627 1 8 H(CCO)NH-TOCSY . . . . . . . . . . . . . . . . 1 $Normal_conditions . . . . . . . . . . . . . . . . . . . . . 5627 1 9 '15N NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $Normal_conditions . . . . . . . . . . . . . . . . . . . . . 5627 1 10 '13C NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $Normal_conditions . . . . . . . . . . . . . . . . . . . . . 5627 1 11 H(CCO)NH . . . . . . . . . . . . . . . . 1 $Normal_conditions . . . . . . . . . . . . . . . . . . . . . 5627 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 5627 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5627 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5627 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5627 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CB _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 5627 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(COCA)CB _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 5627 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5627 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-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 5627 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name H(CCO)NH-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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5627 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '15N NOESY-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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5627 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C NOESY-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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5627 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name H(CCO)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_ #################### # 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 5627 _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 . . . . . . . . . 5627 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5627 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5627 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_Protein_Chemical_Shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Protein_Chemical_Shifts _Assigned_chem_shift_list.Entry_ID 5627 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Normal_conditions _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 '1H-15N HSQC' . . . 5627 1 2 HNCA . . . 5627 1 3 HN(CO)CA . . . 5627 1 4 HN(CA)CB . . . 5627 1 5 HN(COCA)CB . . . 5627 1 6 HNCO . . . 5627 1 7 HCCH-TOCSY . . . 5627 1 8 H(CCO)NH-TOCSY . . . 5627 1 9 '15N NOESY-HSQC' . . . 5627 1 10 '13C NOESY-HSQC' . . . 5627 1 11 H(CCO)NH . . . 5627 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 3 3 LEU N N 15 122.20 0.1 . 1 . . . . . . . . 5627 1 2 . 1 1 3 3 LEU H H 1 8.48 0.02 . 1 . . . . . . . . 5627 1 3 . 1 1 3 3 LEU CA C 13 54.20 0.2 . 1 . . . . . . . . 5627 1 4 . 1 1 3 3 LEU CB C 13 42.60 0.2 . 1 . . . . . . . . 5627 1 5 . 1 1 3 3 LEU HA H 1 4.46 0.02 . 1 . . . . . . . . 5627 1 6 . 1 1 3 3 LEU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5627 1 7 . 1 1 3 3 LEU HB3 H 1 2.21 0.02 . 2 . . . . . . . . 5627 1 8 . 1 1 3 3 LEU HD11 H 1 0.98 0.02 . 2 . . . . . . . . 5627 1 9 . 1 1 3 3 LEU HD12 H 1 0.98 0.02 . 2 . . . . . . . . 5627 1 10 . 1 1 3 3 LEU HD13 H 1 0.98 0.02 . 2 . . . . . . . . 5627 1 11 . 1 1 3 3 LEU HD21 H 1 0.71 0.02 . 2 . . . . . . . . 5627 1 12 . 1 1 3 3 LEU HD22 H 1 0.71 0.02 . 2 . . . . . . . . 5627 1 13 . 1 1 3 3 LEU HD23 H 1 0.71 0.02 . 2 . . . . . . . . 5627 1 14 . 1 1 3 3 LEU CD1 C 13 22.30 0.2 . 1 . . . . . . . . 5627 1 15 . 1 1 3 3 LEU CD2 C 13 25.00 0.2 . 1 . . . . . . . . 5627 1 16 . 1 1 4 4 GLU N N 15 120.70 0.1 . 1 . . . . . . . . 5627 1 17 . 1 1 4 4 GLU H H 1 8.85 0.02 . 1 . . . . . . . . 5627 1 18 . 1 1 4 4 GLU C C 13 174.39 0.2 . 1 . . . . . . . . 5627 1 19 . 1 1 4 4 GLU CA C 13 58.81 0.2 . 1 . . . . . . . . 5627 1 20 . 1 1 4 4 GLU CB C 13 30.56 0.2 . 1 . . . . . . . . 5627 1 21 . 1 1 4 4 GLU HA H 1 3.81 0.02 . 1 . . . . . . . . 5627 1 22 . 1 1 4 4 GLU HB2 H 1 1.58 0.02 . 1 . . . . . . . . 5627 1 23 . 1 1 4 4 GLU HB3 H 1 1.58 0.02 . 1 . . . . . . . . 5627 1 24 . 1 1 4 4 GLU HG2 H 1 1.78 0.02 . 1 . . . . . . . . 5627 1 25 . 1 1 4 4 GLU HG3 H 1 1.78 0.02 . 1 . . . . . . . . 5627 1 26 . 1 1 5 5 LYS N N 15 116.10 0.1 . 1 . . . . . . . . 5627 1 27 . 1 1 5 5 LYS H H 1 7.55 0.02 . 1 . . . . . . . . 5627 1 28 . 1 1 5 5 LYS C C 13 176.03 0.2 . 1 . . . . . . . . 5627 1 29 . 1 1 5 5 LYS CA C 13 55.52 0.2 . 1 . . . . . . . . 5627 1 30 . 1 1 5 5 LYS CB C 13 39.38 0.2 . 1 . . . . . . . . 5627 1 31 . 1 1 5 5 LYS HA H 1 5.23 0.02 . 1 . . . . . . . . 5627 1 32 . 1 1 5 5 LYS HB2 H 1 1.57 0.02 . 2 . . . . . . . . 5627 1 33 . 1 1 5 5 LYS HB3 H 1 1.79 0.02 . 2 . . . . . . . . 5627 1 34 . 1 1 5 5 LYS HG2 H 1 1.55 0.02 . 1 . . . . . . . . 5627 1 35 . 1 1 5 5 LYS HG3 H 1 1.55 0.02 . 1 . . . . . . . . 5627 1 36 . 1 1 6 6 THR N N 15 117.10 0.1 . 1 . . . . . . . . 5627 1 37 . 1 1 6 6 THR H H 1 8.52 0.02 . 1 . . . . . . . . 5627 1 38 . 1 1 6 6 THR C C 13 174.16 0.2 . 1 . . . . . . . . 5627 1 39 . 1 1 6 6 THR CA C 13 58.56 0.2 . 1 . . . . . . . . 5627 1 40 . 1 1 6 6 THR CB C 13 72.37 0.2 . 1 . . . . . . . . 5627 1 41 . 1 1 6 6 THR HA H 1 4.74 0.02 . 1 . . . . . . . . 5627 1 42 . 1 1 6 6 THR HB H 1 4.36 0.02 . 1 . . . . . . . . 5627 1 43 . 1 1 6 6 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . 5627 1 44 . 1 1 6 6 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . 5627 1 45 . 1 1 6 6 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . 5627 1 46 . 1 1 6 6 THR HG1 H 1 6.68 0.02 . 1 . . . . . . . . 5627 1 47 . 1 1 6 6 THR CG2 C 13 18.10 0.2 . 1 . . . . . . . . 5627 1 48 . 1 1 7 7 VAL N N 15 111.50 0.1 . 1 . . . . . . . . 5627 1 49 . 1 1 7 7 VAL H H 1 8.15 0.02 . 1 . . . . . . . . 5627 1 50 . 1 1 7 7 VAL C C 13 176.60 0.2 . 1 . . . . . . . . 5627 1 51 . 1 1 7 7 VAL CA C 13 58.54 0.2 . 1 . . . . . . . . 5627 1 52 . 1 1 7 7 VAL CB C 13 34.29 0.2 . 1 . . . . . . . . 5627 1 53 . 1 1 7 7 VAL HA H 1 5.37 0.02 . 1 . . . . . . . . 5627 1 54 . 1 1 7 7 VAL HB H 1 2.29 0.02 . 1 . . . . . . . . 5627 1 55 . 1 1 7 7 VAL HG11 H 1 0.79 0.02 . 2 . . . . . . . . 5627 1 56 . 1 1 7 7 VAL HG12 H 1 0.79 0.02 . 2 . . . . . . . . 5627 1 57 . 1 1 7 7 VAL HG13 H 1 0.79 0.02 . 2 . . . . . . . . 5627 1 58 . 1 1 7 7 VAL HG21 H 1 0.63 0.02 . 2 . . . . . . . . 5627 1 59 . 1 1 7 7 VAL HG22 H 1 0.63 0.02 . 2 . . . . . . . . 5627 1 60 . 1 1 7 7 VAL HG23 H 1 0.63 0.02 . 2 . . . . . . . . 5627 1 61 . 1 1 7 7 VAL CG1 C 13 22.10 0.2 . 1 . . . . . . . . 5627 1 62 . 1 1 7 7 VAL CG2 C 13 18.10 0.2 . 1 . . . . . . . . 5627 1 63 . 1 1 8 8 LYS N N 15 118.10 0.1 . 1 . . . . . . . . 5627 1 64 . 1 1 8 8 LYS H H 1 8.52 0.02 . 1 . . . . . . . . 5627 1 65 . 1 1 8 8 LYS C C 13 175.48 0.2 . 1 . . . . . . . . 5627 1 66 . 1 1 8 8 LYS CA C 13 58.39 0.2 . 1 . . . . . . . . 5627 1 67 . 1 1 8 8 LYS CB C 13 34.22 0.2 . 1 . . . . . . . . 5627 1 68 . 1 1 8 8 LYS HA H 1 3.94 0.02 . 1 . . . . . . . . 5627 1 69 . 1 1 8 8 LYS HB2 H 1 1.75 0.02 . 1 . . . . . . . . 5627 1 70 . 1 1 8 8 LYS HB3 H 1 1.75 0.02 . 1 . . . . . . . . 5627 1 71 . 1 1 8 8 LYS HG2 H 1 1.37 0.02 . 2 . . . . . . . . 5627 1 72 . 1 1 8 8 LYS HG3 H 1 1.47 0.02 . 2 . . . . . . . . 5627 1 73 . 1 1 8 8 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 5627 1 74 . 1 1 8 8 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 5627 1 75 . 1 1 8 8 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 5627 1 76 . 1 1 8 8 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 5627 1 77 . 1 1 9 9 GLU N N 15 114.20 0.1 . 1 . . . . . . . . 5627 1 78 . 1 1 9 9 GLU H H 1 7.46 0.02 . 1 . . . . . . . . 5627 1 79 . 1 1 9 9 GLU C C 13 173.14 0.2 . 1 . . . . . . . . 5627 1 80 . 1 1 9 9 GLU CA C 13 53.41 0.2 . 1 . . . . . . . . 5627 1 81 . 1 1 9 9 GLU CB C 13 33.16 0.2 . 1 . . . . . . . . 5627 1 82 . 1 1 9 9 GLU HA H 1 4.44 0.02 . 1 . . . . . . . . 5627 1 83 . 1 1 9 9 GLU HB2 H 1 2.05 0.02 . 1 . . . . . . . . 5627 1 84 . 1 1 9 9 GLU HB3 H 1 2.05 0.02 . 1 . . . . . . . . 5627 1 85 . 1 1 9 9 GLU HG2 H 1 1.85 0.02 . 1 . . . . . . . . 5627 1 86 . 1 1 9 9 GLU HG3 H 1 1.85 0.02 . 1 . . . . . . . . 5627 1 87 . 1 1 10 10 LYS N N 15 117.30 0.1 . 1 . . . . . . . . 5627 1 88 . 1 1 10 10 LYS H H 1 8.04 0.02 . 1 . . . . . . . . 5627 1 89 . 1 1 10 10 LYS C C 13 176.70 0.2 . 1 . . . . . . . . 5627 1 90 . 1 1 10 10 LYS CA C 13 56.73 0.2 . 1 . . . . . . . . 5627 1 91 . 1 1 10 10 LYS CB C 13 33.06 0.2 . 1 . . . . . . . . 5627 1 92 . 1 1 10 10 LYS HA H 1 4.78 0.02 . 1 . . . . . . . . 5627 1 93 . 1 1 10 10 LYS HB2 H 1 1.39 0.02 . 2 . . . . . . . . 5627 1 94 . 1 1 10 10 LYS HB3 H 1 1.54 0.02 . 2 . . . . . . . . 5627 1 95 . 1 1 10 10 LYS HG2 H 1 1.28 0.02 . 1 . . . . . . . . 5627 1 96 . 1 1 10 10 LYS HG3 H 1 1.28 0.02 . 1 . . . . . . . . 5627 1 97 . 1 1 10 10 LYS HE2 H 1 2.96 0.02 . 1 . . . . . . . . 5627 1 98 . 1 1 10 10 LYS HE3 H 1 2.96 0.02 . 1 . . . . . . . . 5627 1 99 . 1 1 11 11 LEU N N 15 122.90 0.1 . 1 . . . . . . . . 5627 1 100 . 1 1 11 11 LEU H H 1 7.76 0.02 . 1 . . . . . . . . 5627 1 101 . 1 1 11 11 LEU C C 13 175.25 0.2 . 1 . . . . . . . . 5627 1 102 . 1 1 11 11 LEU CA C 13 53.42 0.2 . 1 . . . . . . . . 5627 1 103 . 1 1 11 11 LEU CB C 13 46.09 0.2 . 1 . . . . . . . . 5627 1 104 . 1 1 11 11 LEU HA H 1 4.64 0.02 . 1 . . . . . . . . 5627 1 105 . 1 1 11 11 LEU HB2 H 1 1.83 0.02 . 1 . . . . . . . . 5627 1 106 . 1 1 11 11 LEU HB3 H 1 1.83 0.02 . 1 . . . . . . . . 5627 1 107 . 1 1 11 11 LEU HG H 1 1.35 0.02 . 1 . . . . . . . . 5627 1 108 . 1 1 11 11 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 5627 1 109 . 1 1 11 11 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 5627 1 110 . 1 1 11 11 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 5627 1 111 . 1 1 11 11 LEU HD21 H 1 0.71 0.02 . 2 . . . . . . . . 5627 1 112 . 1 1 11 11 LEU HD22 H 1 0.71 0.02 . 2 . . . . . . . . 5627 1 113 . 1 1 11 11 LEU HD23 H 1 0.71 0.02 . 2 . . . . . . . . 5627 1 114 . 1 1 11 11 LEU CD1 C 13 27.30 0.2 . 1 . . . . . . . . 5627 1 115 . 1 1 11 11 LEU CD2 C 13 23.90 0.2 . 1 . . . . . . . . 5627 1 116 . 1 1 12 12 SER N N 15 116.10 0.1 . 1 . . . . . . . . 5627 1 117 . 1 1 12 12 SER H H 1 8.05 0.02 . 1 . . . . . . . . 5627 1 118 . 1 1 12 12 SER C C 13 172.73 0.2 . 1 . . . . . . . . 5627 1 119 . 1 1 12 12 SER CA C 13 56.71 0.2 . 1 . . . . . . . . 5627 1 120 . 1 1 12 12 SER CB C 13 66.39 0.2 . 1 . . . . . . . . 5627 1 121 . 1 1 12 12 SER HA H 1 5.56 0.02 . 1 . . . . . . . . 5627 1 122 . 1 1 12 12 SER HB2 H 1 3.60 0.02 . 2 . . . . . . . . 5627 1 123 . 1 1 12 12 SER HB3 H 1 3.63 0.02 . 2 . . . . . . . . 5627 1 124 . 1 1 13 13 PHE N N 15 119.10 0.1 . 1 . . . . . . . . 5627 1 125 . 1 1 13 13 PHE H H 1 8.69 0.02 . 1 . . . . . . . . 5627 1 126 . 1 1 13 13 PHE C C 13 174.08 0.2 . 1 . . . . . . . . 5627 1 127 . 1 1 13 13 PHE CA C 13 56.71 0.2 . 1 . . . . . . . . 5627 1 128 . 1 1 13 13 PHE CB C 13 44.04 0.2 . 1 . . . . . . . . 5627 1 129 . 1 1 13 13 PHE HA H 1 4.88 0.02 . 1 . . . . . . . . 5627 1 130 . 1 1 13 13 PHE HB2 H 1 2.63 0.02 . 2 . . . . . . . . 5627 1 131 . 1 1 13 13 PHE HB3 H 1 3.09 0.02 . 2 . . . . . . . . 5627 1 132 . 1 1 13 13 PHE HD1 H 1 7.18 0.02 . 1 . . . . . . . . 5627 1 133 . 1 1 13 13 PHE HD2 H 1 7.18 0.02 . 1 . . . . . . . . 5627 1 134 . 1 1 13 13 PHE HE1 H 1 6.90 0.02 . 1 . . . . . . . . 5627 1 135 . 1 1 13 13 PHE HE2 H 1 6.90 0.02 . 1 . . . . . . . . 5627 1 136 . 1 1 13 13 PHE HZ H 1 7.28 0.02 . 1 . . . . . . . . 5627 1 137 . 1 1 14 14 GLU N N 15 118.30 0.1 . 1 . . . . . . . . 5627 1 138 . 1 1 14 14 GLU H H 1 8.80 0.02 . 1 . . . . . . . . 5627 1 139 . 1 1 14 14 GLU C C 13 173.69 0.2 . 1 . . . . . . . . 5627 1 140 . 1 1 14 14 GLU CA C 13 54.83 0.2 . 1 . . . . . . . . 5627 1 141 . 1 1 14 14 GLU CB C 13 33.60 0.2 . 1 . . . . . . . . 5627 1 142 . 1 1 14 14 GLU HA H 1 5.32 0.02 . 1 . . . . . . . . 5627 1 143 . 1 1 14 14 GLU HB2 H 1 2.22 0.02 . 1 . . . . . . . . 5627 1 144 . 1 1 14 14 GLU HB3 H 1 2.22 0.02 . 1 . . . . . . . . 5627 1 145 . 1 1 14 14 GLU HG2 H 1 2.09 0.02 . 1 . . . . . . . . 5627 1 146 . 1 1 14 14 GLU HG3 H 1 2.09 0.02 . 1 . . . . . . . . 5627 1 147 . 1 1 15 15 GLY N N 15 106.10 0.1 . 1 . . . . . . . . 5627 1 148 . 1 1 15 15 GLY H H 1 8.09 0.02 . 1 . . . . . . . . 5627 1 149 . 1 1 15 15 GLY C C 13 171.66 0.2 . 1 . . . . . . . . 5627 1 150 . 1 1 15 15 GLY CA C 13 45.21 0.2 . 1 . . . . . . . . 5627 1 151 . 1 1 15 15 GLY HA2 H 1 3.83 0.02 . 2 . . . . . . . . 5627 1 152 . 1 1 15 15 GLY HA3 H 1 4.45 0.02 . 2 . . . . . . . . 5627 1 153 . 1 1 16 16 VAL N N 15 118.30 0.1 . 1 . . . . . . . . 5627 1 154 . 1 1 16 16 VAL H H 1 8.32 0.02 . 1 . . . . . . . . 5627 1 155 . 1 1 16 16 VAL C C 13 176.50 0.2 . 1 . . . . . . . . 5627 1 156 . 1 1 16 16 VAL CA C 13 60.57 0.2 . 1 . . . . . . . . 5627 1 157 . 1 1 16 16 VAL CB C 13 34.06 0.2 . 1 . . . . . . . . 5627 1 158 . 1 1 16 16 VAL HA H 1 4.58 0.02 . 1 . . . . . . . . 5627 1 159 . 1 1 16 16 VAL HB H 1 1.76 0.02 . 1 . . . . . . . . 5627 1 160 . 1 1 16 16 VAL HG11 H 1 0.77 0.02 . 2 . . . . . . . . 5627 1 161 . 1 1 16 16 VAL HG12 H 1 0.77 0.02 . 2 . . . . . . . . 5627 1 162 . 1 1 16 16 VAL HG13 H 1 0.77 0.02 . 2 . . . . . . . . 5627 1 163 . 1 1 16 16 VAL HG21 H 1 0.81 0.02 . 2 . . . . . . . . 5627 1 164 . 1 1 16 16 VAL HG22 H 1 0.81 0.02 . 2 . . . . . . . . 5627 1 165 . 1 1 16 16 VAL HG23 H 1 0.81 0.02 . 2 . . . . . . . . 5627 1 166 . 1 1 16 16 VAL CG1 C 13 20.40 0.2 . 1 . . . . . . . . 5627 1 167 . 1 1 16 16 VAL CG2 C 13 21.30 0.2 . 1 . . . . . . . . 5627 1 168 . 1 1 17 17 GLY N N 15 111.70 0.1 . 1 . . . . . . . . 5627 1 169 . 1 1 17 17 GLY H H 1 8.20 0.02 . 1 . . . . . . . . 5627 1 170 . 1 1 17 17 GLY C C 13 174.85 0.2 . 1 . . . . . . . . 5627 1 171 . 1 1 17 17 GLY CA C 13 44.39 0.2 . 1 . . . . . . . . 5627 1 172 . 1 1 17 17 GLY HA2 H 1 3.44 0.02 . 2 . . . . . . . . 5627 1 173 . 1 1 17 17 GLY HA3 H 1 4.10 0.02 . 2 . . . . . . . . 5627 1 174 . 1 1 18 18 ILE N N 15 127.80 0.1 . 1 . . . . . . . . 5627 1 175 . 1 1 18 18 ILE H H 1 8.78 0.02 . 1 . . . . . . . . 5627 1 176 . 1 1 18 18 ILE C C 13 175.01 0.2 . 1 . . . . . . . . 5627 1 177 . 1 1 18 18 ILE CA C 13 64.92 0.2 . 1 . . . . . . . . 5627 1 178 . 1 1 18 18 ILE CB C 13 36.96 0.2 . 1 . . . . . . . . 5627 1 179 . 1 1 18 18 ILE HA H 1 3.39 0.02 . 1 . . . . . . . . 5627 1 180 . 1 1 18 18 ILE HB H 1 1.28 0.02 . 1 . . . . . . . . 5627 1 181 . 1 1 18 18 ILE HG21 H 1 0.14 0.02 . 1 . . . . . . . . 5627 1 182 . 1 1 18 18 ILE HG22 H 1 0.14 0.02 . 1 . . . . . . . . 5627 1 183 . 1 1 18 18 ILE HG23 H 1 0.14 0.02 . 1 . . . . . . . . 5627 1 184 . 1 1 18 18 ILE CG2 C 13 14.70 0.2 . 1 . . . . . . . . 5627 1 185 . 1 1 18 18 ILE HG12 H 1 0.86 0.02 . 1 . . . . . . . . 5627 1 186 . 1 1 18 18 ILE HG13 H 1 0.86 0.02 . 1 . . . . . . . . 5627 1 187 . 1 1 18 18 ILE HD11 H 1 0.57 0.02 . 1 . . . . . . . . 5627 1 188 . 1 1 18 18 ILE HD12 H 1 0.57 0.02 . 1 . . . . . . . . 5627 1 189 . 1 1 18 18 ILE HD13 H 1 0.57 0.02 . 1 . . . . . . . . 5627 1 190 . 1 1 18 18 ILE CD1 C 13 13.80 0.2 . 1 . . . . . . . . 5627 1 191 . 1 1 19 19 HIS N N 15 124.40 0.1 . 1 . . . . . . . . 5627 1 192 . 1 1 19 19 HIS H H 1 9.76 0.02 . 1 . . . . . . . . 5627 1 193 . 1 1 19 19 HIS C C 13 179.63 0.2 . 1 . . . . . . . . 5627 1 194 . 1 1 19 19 HIS CA C 13 59.32 0.2 . 1 . . . . . . . . 5627 1 195 . 1 1 19 19 HIS CB C 13 31.94 0.2 . 1 . . . . . . . . 5627 1 196 . 1 1 19 19 HIS HA H 1 5.12 0.02 . 1 . . . . . . . . 5627 1 197 . 1 1 19 19 HIS HB2 H 1 2.84 0.02 . 2 . . . . . . . . 5627 1 198 . 1 1 19 19 HIS HB3 H 1 2.99 0.02 . 2 . . . . . . . . 5627 1 199 . 1 1 19 19 HIS HD2 H 1 6.91 0.02 . 1 . . . . . . . . 5627 1 200 . 1 1 19 19 HIS HE1 H 1 7.98 0.02 . 1 . . . . . . . . 5627 1 201 . 1 1 20 20 THR N N 15 113.00 0.1 . 1 . . . . . . . . 5627 1 202 . 1 1 20 20 THR H H 1 10.60 0.02 . 1 . . . . . . . . 5627 1 203 . 1 1 20 20 THR C C 13 177.90 0.2 . 1 . . . . . . . . 5627 1 204 . 1 1 20 20 THR CA C 13 63.74 0.2 . 1 . . . . . . . . 5627 1 205 . 1 1 20 20 THR CB C 13 71.19 0.2 . 1 . . . . . . . . 5627 1 206 . 1 1 20 20 THR HA H 1 4.08 0.02 . 1 . . . . . . . . 5627 1 207 . 1 1 20 20 THR HB H 1 4.07 0.02 . 1 . . . . . . . . 5627 1 208 . 1 1 20 20 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 5627 1 209 . 1 1 20 20 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 5627 1 210 . 1 1 20 20 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 5627 1 211 . 1 1 20 20 THR HG1 H 1 5.55 0.02 . 1 . . . . . . . . 5627 1 212 . 1 1 20 20 THR CG2 C 13 16.50 0.2 . 1 . . . . . . . . 5627 1 213 . 1 1 21 21 GLY N N 15 109.60 0.1 . 1 . . . . . . . . 5627 1 214 . 1 1 21 21 GLY H H 1 7.69 0.02 . 1 . . . . . . . . 5627 1 215 . 1 1 21 21 GLY C C 13 172.52 0.2 . 1 . . . . . . . . 5627 1 216 . 1 1 21 21 GLY CA C 13 46.04 0.2 . 1 . . . . . . . . 5627 1 217 . 1 1 21 21 GLY HA2 H 1 3.27 0.02 . 2 . . . . . . . . 5627 1 218 . 1 1 21 21 GLY HA3 H 1 3.57 0.02 . 2 . . . . . . . . 5627 1 219 . 1 1 22 22 GLU N N 15 118.10 0.1 . 1 . . . . . . . . 5627 1 220 . 1 1 22 22 GLU H H 1 7.42 0.02 . 1 . . . . . . . . 5627 1 221 . 1 1 22 22 GLU C C 13 176.34 0.2 . 1 . . . . . . . . 5627 1 222 . 1 1 22 22 GLU CA C 13 54.46 0.2 . 1 . . . . . . . . 5627 1 223 . 1 1 22 22 GLU CB C 13 32.65 0.2 . 1 . . . . . . . . 5627 1 224 . 1 1 22 22 GLU HA H 1 4.46 0.02 . 1 . . . . . . . . 5627 1 225 . 1 1 22 22 GLU HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5627 1 226 . 1 1 22 22 GLU HB3 H 1 2.10 0.02 . 2 . . . . . . . . 5627 1 227 . 1 1 22 22 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 5627 1 228 . 1 1 22 22 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 5627 1 229 . 1 1 23 23 TYR N N 15 124.90 0.1 . 1 . . . . . . . . 5627 1 230 . 1 1 23 23 TYR H H 1 8.75 0.02 . 1 . . . . . . . . 5627 1 231 . 1 1 23 23 TYR C C 13 175.40 0.2 . 1 . . . . . . . . 5627 1 232 . 1 1 23 23 TYR CA C 13 59.52 0.2 . 1 . . . . . . . . 5627 1 233 . 1 1 23 23 TYR CB C 13 38.96 0.2 . 1 . . . . . . . . 5627 1 234 . 1 1 23 23 TYR HA H 1 4.39 0.02 . 1 . . . . . . . . 5627 1 235 . 1 1 23 23 TYR HB2 H 1 2.89 0.02 . 2 . . . . . . . . 5627 1 236 . 1 1 23 23 TYR HB3 H 1 2.99 0.02 . 2 . . . . . . . . 5627 1 237 . 1 1 23 23 TYR HD1 H 1 6.99 0.02 . 1 . . . . . . . . 5627 1 238 . 1 1 23 23 TYR HD2 H 1 6.99 0.02 . 1 . . . . . . . . 5627 1 239 . 1 1 24 24 SER N N 15 123.70 0.1 . 1 . . . . . . . . 5627 1 240 . 1 1 24 24 SER H H 1 8.26 0.02 . 1 . . . . . . . . 5627 1 241 . 1 1 24 24 SER C C 13 171.19 0.2 . 1 . . . . . . . . 5627 1 242 . 1 1 24 24 SER CA C 13 56.93 0.2 . 1 . . . . . . . . 5627 1 243 . 1 1 24 24 SER CB C 13 67.34 0.2 . 1 . . . . . . . . 5627 1 244 . 1 1 24 24 SER HA H 1 5.03 0.02 . 1 . . . . . . . . 5627 1 245 . 1 1 24 24 SER HB2 H 1 3.69 0.02 . 1 . . . . . . . . 5627 1 246 . 1 1 24 24 SER HB3 H 1 3.69 0.02 . 1 . . . . . . . . 5627 1 247 . 1 1 25 25 LYS N N 15 121.50 0.1 . 1 . . . . . . . . 5627 1 248 . 1 1 25 25 LYS H H 1 8.16 0.02 . 1 . . . . . . . . 5627 1 249 . 1 1 25 25 LYS C C 13 173.76 0.2 . 1 . . . . . . . . 5627 1 250 . 1 1 25 25 LYS CA C 13 54.71 0.2 . 1 . . . . . . . . 5627 1 251 . 1 1 25 25 LYS CB C 13 36.33 0.2 . 1 . . . . . . . . 5627 1 252 . 1 1 25 25 LYS HA H 1 5.05 0.02 . 1 . . . . . . . . 5627 1 253 . 1 1 25 25 LYS HB2 H 1 1.67 0.02 . 2 . . . . . . . . 5627 1 254 . 1 1 25 25 LYS HB3 H 1 1.86 0.02 . 2 . . . . . . . . 5627 1 255 . 1 1 25 25 LYS HG2 H 1 1.28 0.02 . 2 . . . . . . . . 5627 1 256 . 1 1 25 25 LYS HG3 H 1 1.48 0.02 . 2 . . . . . . . . 5627 1 257 . 1 1 25 25 LYS HE2 H 1 2.72 0.02 . 2 . . . . . . . . 5627 1 258 . 1 1 25 25 LYS HE3 H 1 2.89 0.02 . 2 . . . . . . . . 5627 1 259 . 1 1 26 26 LEU N N 15 123.40 0.1 . 1 . . . . . . . . 5627 1 260 . 1 1 26 26 LEU H H 1 9.26 0.02 . 1 . . . . . . . . 5627 1 261 . 1 1 26 26 LEU C C 13 176.10 0.2 . 1 . . . . . . . . 5627 1 262 . 1 1 26 26 LEU CA C 13 52.72 0.2 . 1 . . . . . . . . 5627 1 263 . 1 1 26 26 LEU CB C 13 47.03 0.2 . 1 . . . . . . . . 5627 1 264 . 1 1 26 26 LEU HA H 1 5.72 0.02 . 1 . . . . . . . . 5627 1 265 . 1 1 26 26 LEU HB2 H 1 1.71 0.02 . 1 . . . . . . . . 5627 1 266 . 1 1 26 26 LEU HB3 H 1 1.71 0.02 . 1 . . . . . . . . 5627 1 267 . 1 1 26 26 LEU HG H 1 1.20 0.02 . 1 . . . . . . . . 5627 1 268 . 1 1 26 26 LEU HD11 H 1 0.98 0.02 . 2 . . . . . . . . 5627 1 269 . 1 1 26 26 LEU HD12 H 1 0.98 0.02 . 2 . . . . . . . . 5627 1 270 . 1 1 26 26 LEU HD13 H 1 0.98 0.02 . 2 . . . . . . . . 5627 1 271 . 1 1 26 26 LEU HD21 H 1 0.96 0.02 . 2 . . . . . . . . 5627 1 272 . 1 1 26 26 LEU HD22 H 1 0.96 0.02 . 2 . . . . . . . . 5627 1 273 . 1 1 26 26 LEU HD23 H 1 0.96 0.02 . 2 . . . . . . . . 5627 1 274 . 1 1 26 26 LEU CD1 C 13 27.30 0.2 . 1 . . . . . . . . 5627 1 275 . 1 1 26 26 LEU CD2 C 13 26.70 0.2 . 1 . . . . . . . . 5627 1 276 . 1 1 27 27 ILE N N 15 123.90 0.1 . 1 . . . . . . . . 5627 1 277 . 1 1 27 27 ILE H H 1 9.23 0.02 . 1 . . . . . . . . 5627 1 278 . 1 1 27 27 ILE C C 13 174.86 0.2 . 1 . . . . . . . . 5627 1 279 . 1 1 27 27 ILE CA C 13 60.92 0.2 . 1 . . . . . . . . 5627 1 280 . 1 1 27 27 ILE CB C 13 41.41 0.2 . 1 . . . . . . . . 5627 1 281 . 1 1 27 27 ILE HA H 1 4.82 0.02 . 1 . . . . . . . . 5627 1 282 . 1 1 27 27 ILE HB H 1 1.71 0.02 . 1 . . . . . . . . 5627 1 283 . 1 1 27 27 ILE HG21 H 1 0.24 0.02 . 1 . . . . . . . . 5627 1 284 . 1 1 27 27 ILE HG22 H 1 0.24 0.02 . 1 . . . . . . . . 5627 1 285 . 1 1 27 27 ILE HG23 H 1 0.24 0.02 . 1 . . . . . . . . 5627 1 286 . 1 1 27 27 ILE CG2 C 13 17.80 0.2 . 1 . . . . . . . . 5627 1 287 . 1 1 27 27 ILE HG12 H 1 1.02 0.02 . 2 . . . . . . . . 5627 1 288 . 1 1 27 27 ILE HG13 H 1 1.38 0.02 . 2 . . . . . . . . 5627 1 289 . 1 1 27 27 ILE HD11 H 1 0.79 0.02 . 1 . . . . . . . . 5627 1 290 . 1 1 27 27 ILE HD12 H 1 0.79 0.02 . 1 . . . . . . . . 5627 1 291 . 1 1 27 27 ILE HD13 H 1 0.79 0.02 . 1 . . . . . . . . 5627 1 292 . 1 1 27 27 ILE CD1 C 13 14.10 0.2 . 1 . . . . . . . . 5627 1 293 . 1 1 28 28 ILE N N 15 127.60 0.1 . 1 . . . . . . . . 5627 1 294 . 1 1 28 28 ILE H H 1 9.46 0.02 . 1 . . . . . . . . 5627 1 295 . 1 1 28 28 ILE C C 13 174.00 0.2 . 1 . . . . . . . . 5627 1 296 . 1 1 28 28 ILE CA C 13 61.03 0.2 . 1 . . . . . . . . 5627 1 297 . 1 1 28 28 ILE CB C 13 38.14 0.2 . 1 . . . . . . . . 5627 1 298 . 1 1 28 28 ILE HA H 1 4.51 0.02 . 1 . . . . . . . . 5627 1 299 . 1 1 28 28 ILE HB H 1 1.97 0.02 . 1 . . . . . . . . 5627 1 300 . 1 1 28 28 ILE HG21 H 1 0.75 0.02 . 1 . . . . . . . . 5627 1 301 . 1 1 28 28 ILE HG22 H 1 0.75 0.02 . 1 . . . . . . . . 5627 1 302 . 1 1 28 28 ILE HG23 H 1 0.75 0.02 . 1 . . . . . . . . 5627 1 303 . 1 1 28 28 ILE CG2 C 13 18.30 0.2 . 1 . . . . . . . . 5627 1 304 . 1 1 28 28 ILE HG12 H 1 1.75 0.02 . 1 . . . . . . . . 5627 1 305 . 1 1 28 28 ILE HG13 H 1 1.75 0.02 . 1 . . . . . . . . 5627 1 306 . 1 1 28 28 ILE HD11 H 1 0.83 0.02 . 1 . . . . . . . . 5627 1 307 . 1 1 28 28 ILE HD12 H 1 0.83 0.02 . 1 . . . . . . . . 5627 1 308 . 1 1 28 28 ILE HD13 H 1 0.83 0.02 . 1 . . . . . . . . 5627 1 309 . 1 1 28 28 ILE CD1 C 13 13.40 0.2 . 1 . . . . . . . . 5627 1 310 . 1 1 29 29 HIS N N 15 125.90 0.1 . 1 . . . . . . . . 5627 1 311 . 1 1 29 29 HIS H H 1 9.36 0.02 . 1 . . . . . . . . 5627 1 312 . 1 1 29 29 HIS C C 13 176.26 0.2 . 1 . . . . . . . . 5627 1 313 . 1 1 29 29 HIS CA C 13 53.77 0.2 . 1 . . . . . . . . 5627 1 314 . 1 1 29 29 HIS CB C 13 32.64 0.2 . 1 . . . . . . . . 5627 1 315 . 1 1 29 29 HIS HA H 1 4.85 0.02 . 1 . . . . . . . . 5627 1 316 . 1 1 29 29 HIS HB2 H 1 2.99 0.02 . 1 . . . . . . . . 5627 1 317 . 1 1 29 29 HIS HB3 H 1 2.99 0.02 . 1 . . . . . . . . 5627 1 318 . 1 1 29 29 HIS HD2 H 1 6.90 0.02 . 1 . . . . . . . . 5627 1 319 . 1 1 30 30 PRO C C 13 176.26 0.2 . 1 . . . . . . . . 5627 1 320 . 1 1 30 30 PRO CA C 13 62.36 0.2 . 1 . . . . . . . . 5627 1 321 . 1 1 30 30 PRO HA H 1 4.59 0.02 . 1 . . . . . . . . 5627 1 322 . 1 1 30 30 PRO HB2 H 1 2.72 0.02 . 1 . . . . . . . . 5627 1 323 . 1 1 30 30 PRO HB3 H 1 2.72 0.02 . 1 . . . . . . . . 5627 1 324 . 1 1 30 30 PRO HG2 H 1 1.71 0.02 . 1 . . . . . . . . 5627 1 325 . 1 1 30 30 PRO HG3 H 1 1.71 0.02 . 1 . . . . . . . . 5627 1 326 . 1 1 30 30 PRO HD2 H 1 3.51 0.02 . 2 . . . . . . . . 5627 1 327 . 1 1 30 30 PRO HD3 H 1 3.82 0.02 . 2 . . . . . . . . 5627 1 328 . 1 1 31 31 GLU N N 15 119.00 0.1 . 1 . . . . . . . . 5627 1 329 . 1 1 31 31 GLU H H 1 7.76 0.02 . 1 . . . . . . . . 5627 1 330 . 1 1 31 31 GLU C C 13 175.25 0.2 . 1 . . . . . . . . 5627 1 331 . 1 1 31 31 GLU CA C 13 53.74 0.2 . 1 . . . . . . . . 5627 1 332 . 1 1 31 31 GLU CB C 13 35.61 0.2 . 1 . . . . . . . . 5627 1 333 . 1 1 31 31 GLU HB2 H 1 2.02 0.02 . 1 . . . . . . . . 5627 1 334 . 1 1 31 31 GLU HB3 H 1 2.02 0.02 . 1 . . . . . . . . 5627 1 335 . 1 1 31 31 GLU HA H 1 4.83 0.02 . 1 . . . . . . . . 5627 1 336 . 1 1 32 32 LYS N N 15 118.30 0.1 . 1 . . . . . . . . 5627 1 337 . 1 1 32 32 LYS H H 1 7.97 0.02 . 1 . . . . . . . . 5627 1 338 . 1 1 32 32 LYS C C 13 176.11 0.2 . 1 . . . . . . . . 5627 1 339 . 1 1 32 32 LYS CA C 13 55.88 0.2 . 1 . . . . . . . . 5627 1 340 . 1 1 32 32 LYS CB C 13 34.25 0.2 . 1 . . . . . . . . 5627 1 341 . 1 1 32 32 LYS HA H 1 4.05 0.02 . 1 . . . . . . . . 5627 1 342 . 1 1 32 32 LYS HB2 H 1 1.80 0.02 . 1 . . . . . . . . 5627 1 343 . 1 1 32 32 LYS HB3 H 1 1.80 0.02 . 1 . . . . . . . . 5627 1 344 . 1 1 32 32 LYS HG2 H 1 1.46 0.02 . 1 . . . . . . . . 5627 1 345 . 1 1 32 32 LYS HG3 H 1 1.46 0.02 . 1 . . . . . . . . 5627 1 346 . 1 1 32 32 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 5627 1 347 . 1 1 32 32 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 5627 1 348 . 1 1 32 32 LYS HE2 H 1 3.17 0.02 . 1 . . . . . . . . 5627 1 349 . 1 1 32 32 LYS HE3 H 1 3.17 0.02 . 1 . . . . . . . . 5627 1 350 . 1 1 33 33 GLU N N 15 121.70 0.1 . 1 . . . . . . . . 5627 1 351 . 1 1 33 33 GLU H H 1 9.12 0.02 . 1 . . . . . . . . 5627 1 352 . 1 1 33 33 GLU C C 13 177.36 0.2 . 1 . . . . . . . . 5627 1 353 . 1 1 33 33 GLU CA C 13 58.12 0.2 . 1 . . . . . . . . 5627 1 354 . 1 1 33 33 GLU CB C 13 29.39 0.2 . 1 . . . . . . . . 5627 1 355 . 1 1 33 33 GLU HA H 1 3.99 0.02 . 1 . . . . . . . . 5627 1 356 . 1 1 33 33 GLU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 5627 1 357 . 1 1 33 33 GLU HB3 H 1 1.74 0.02 . 2 . . . . . . . . 5627 1 358 . 1 1 33 33 GLU HG2 H 1 2.14 0.02 . 2 . . . . . . . . 5627 1 359 . 1 1 33 33 GLU HG3 H 1 2.24 0.02 . 2 . . . . . . . . 5627 1 360 . 1 1 34 34 GLY N N 15 110.50 0.1 . 1 . . . . . . . . 5627 1 361 . 1 1 34 34 GLY H H 1 9.43 0.02 . 1 . . . . . . . . 5627 1 362 . 1 1 34 34 GLY C C 13 174.57 0.2 . 1 . . . . . . . . 5627 1 363 . 1 1 34 34 GLY CA C 13 45.69 0.2 . 1 . . . . . . . . 5627 1 364 . 1 1 34 34 GLY HA2 H 1 3.87 0.02 . 1 . . . . . . . . 5627 1 365 . 1 1 34 34 GLY HA3 H 1 3.87 0.02 . 1 . . . . . . . . 5627 1 366 . 1 1 35 35 THR N N 15 118.00 0.1 . 1 . . . . . . . . 5627 1 367 . 1 1 35 35 THR H H 1 7.61 0.02 . 1 . . . . . . . . 5627 1 368 . 1 1 35 35 THR C C 13 175.72 0.2 . 1 . . . . . . . . 5627 1 369 . 1 1 35 35 THR CA C 13 66.08 0.2 . 1 . . . . . . . . 5627 1 370 . 1 1 35 35 THR CB C 13 69.54 0.2 . 1 . . . . . . . . 5627 1 371 . 1 1 35 35 THR HA H 1 3.85 0.02 . 1 . . . . . . . . 5627 1 372 . 1 1 35 35 THR HB H 1 3.84 0.02 . 1 . . . . . . . . 5627 1 373 . 1 1 35 35 THR HG21 H 1 0.89 0.02 . 1 . . . . . . . . 5627 1 374 . 1 1 35 35 THR HG22 H 1 0.89 0.02 . 1 . . . . . . . . 5627 1 375 . 1 1 35 35 THR HG23 H 1 0.89 0.02 . 1 . . . . . . . . 5627 1 376 . 1 1 35 35 THR CG2 C 13 20.60 0.2 . 1 . . . . . . . . 5627 1 377 . 1 1 36 36 GLY N N 15 110.50 0.1 . 1 . . . . . . . . 5627 1 378 . 1 1 36 36 GLY H H 1 8.63 0.02 . 1 . . . . . . . . 5627 1 379 . 1 1 36 36 GLY C C 13 172.82 0.2 . 1 . . . . . . . . 5627 1 380 . 1 1 36 36 GLY CA C 13 44.28 0.2 . 1 . . . . . . . . 5627 1 381 . 1 1 36 36 GLY HA2 H 1 4.08 0.02 . 1 . . . . . . . . 5627 1 382 . 1 1 36 36 GLY HA3 H 1 4.08 0.02 . 1 . . . . . . . . 5627 1 383 . 1 1 37 37 ILE N N 15 116.80 0.1 . 1 . . . . . . . . 5627 1 384 . 1 1 37 37 ILE H H 1 8.01 0.02 . 1 . . . . . . . . 5627 1 385 . 1 1 37 37 ILE C C 13 176.58 0.2 . 1 . . . . . . . . 5627 1 386 . 1 1 37 37 ILE CA C 13 58.81 0.2 . 1 . . . . . . . . 5627 1 387 . 1 1 37 37 ILE CB C 13 35.78 0.2 . 1 . . . . . . . . 5627 1 388 . 1 1 37 37 ILE HA H 1 4.48 0.02 . 1 . . . . . . . . 5627 1 389 . 1 1 37 37 ILE HB H 1 1.72 0.02 . 1 . . . . . . . . 5627 1 390 . 1 1 37 37 ILE HG21 H 1 0.15 0.02 . 1 . . . . . . . . 5627 1 391 . 1 1 37 37 ILE HG22 H 1 0.15 0.02 . 1 . . . . . . . . 5627 1 392 . 1 1 37 37 ILE HG23 H 1 0.15 0.02 . 1 . . . . . . . . 5627 1 393 . 1 1 37 37 ILE CG2 C 13 17.30 0.2 . 1 . . . . . . . . 5627 1 394 . 1 1 37 37 ILE HG12 H 1 1.05 0.02 . 1 . . . . . . . . 5627 1 395 . 1 1 37 37 ILE HG13 H 1 1.05 0.02 . 1 . . . . . . . . 5627 1 396 . 1 1 37 37 ILE HD11 H 1 0.45 0.02 . 1 . . . . . . . . 5627 1 397 . 1 1 37 37 ILE HD12 H 1 0.45 0.02 . 1 . . . . . . . . 5627 1 398 . 1 1 37 37 ILE HD13 H 1 0.45 0.02 . 1 . . . . . . . . 5627 1 399 . 1 1 37 37 ILE CD1 C 13 11.80 0.2 . 1 . . . . . . . . 5627 1 400 . 1 1 38 38 ARG N N 15 123.70 0.1 . 1 . . . . . . . . 5627 1 401 . 1 1 38 38 ARG H H 1 7.91 0.02 . 1 . . . . . . . . 5627 1 402 . 1 1 38 38 ARG C C 13 173.85 0.2 . 1 . . . . . . . . 5627 1 403 . 1 1 38 38 ARG CA C 13 53.88 0.2 . 1 . . . . . . . . 5627 1 404 . 1 1 38 38 ARG CB C 13 33.35 0.2 . 1 . . . . . . . . 5627 1 405 . 1 1 38 38 ARG HA H 1 4.83 0.02 . 1 . . . . . . . . 5627 1 406 . 1 1 38 38 ARG HB2 H 1 1.63 0.02 . 2 . . . . . . . . 5627 1 407 . 1 1 38 38 ARG HB3 H 1 1.73 0.02 . 2 . . . . . . . . 5627 1 408 . 1 1 38 38 ARG HG2 H 1 1.58 0.02 . 1 . . . . . . . . 5627 1 409 . 1 1 38 38 ARG HG3 H 1 1.58 0.02 . 1 . . . . . . . . 5627 1 410 . 1 1 38 38 ARG HD2 H 1 2.88 0.02 . 1 . . . . . . . . 5627 1 411 . 1 1 38 38 ARG HD3 H 1 2.88 0.02 . 1 . . . . . . . . 5627 1 412 . 1 1 39 39 PHE N N 15 121.20 0.1 . 1 . . . . . . . . 5627 1 413 . 1 1 39 39 PHE H H 1 9.06 0.02 . 1 . . . . . . . . 5627 1 414 . 1 1 39 39 PHE C C 13 175.17 0.2 . 1 . . . . . . . . 5627 1 415 . 1 1 39 39 PHE CA C 13 56.46 0.2 . 1 . . . . . . . . 5627 1 416 . 1 1 39 39 PHE CB C 13 41.79 0.2 . 1 . . . . . . . . 5627 1 417 . 1 1 39 39 PHE HA H 1 5.36 0.02 . 1 . . . . . . . . 5627 1 418 . 1 1 39 39 PHE HB2 H 1 2.82 0.02 . 2 . . . . . . . . 5627 1 419 . 1 1 39 39 PHE HB3 H 1 2.94 0.02 . 2 . . . . . . . . 5627 1 420 . 1 1 39 39 PHE HD1 H 1 7.14 0.02 . 1 . . . . . . . . 5627 1 421 . 1 1 39 39 PHE HD2 H 1 7.14 0.02 . 1 . . . . . . . . 5627 1 422 . 1 1 39 39 PHE HE1 H 1 6.93 0.02 . 1 . . . . . . . . 5627 1 423 . 1 1 39 39 PHE HE2 H 1 6.93 0.02 . 1 . . . . . . . . 5627 1 424 . 1 1 39 39 PHE HZ H 1 6.86 0.02 . 1 . . . . . . . . 5627 1 425 . 1 1 40 40 PHE N N 15 123.70 0.1 . 1 . . . . . . . . 5627 1 426 . 1 1 40 40 PHE H H 1 8.88 0.02 . 1 . . . . . . . . 5627 1 427 . 1 1 40 40 PHE C C 13 173.06 0.2 . 1 . . . . . . . . 5627 1 428 . 1 1 40 40 PHE CA C 13 55.75 0.2 . 1 . . . . . . . . 5627 1 429 . 1 1 40 40 PHE CB C 13 43.12 0.2 . 1 . . . . . . . . 5627 1 430 . 1 1 40 40 PHE HA H 1 5.36 0.02 . 1 . . . . . . . . 5627 1 431 . 1 1 40 40 PHE HB2 H 1 2.30 0.02 . 2 . . . . . . . . 5627 1 432 . 1 1 40 40 PHE HB3 H 1 2.48 0.02 . 2 . . . . . . . . 5627 1 433 . 1 1 40 40 PHE HD1 H 1 6.09 0.02 . 1 . . . . . . . . 5627 1 434 . 1 1 40 40 PHE HD2 H 1 6.09 0.02 . 1 . . . . . . . . 5627 1 435 . 1 1 40 40 PHE HE1 H 1 6.86 0.02 . 1 . . . . . . . . 5627 1 436 . 1 1 40 40 PHE HE2 H 1 6.86 0.02 . 1 . . . . . . . . 5627 1 437 . 1 1 40 40 PHE HZ H 1 7.08 0.02 . 1 . . . . . . . . 5627 1 438 . 1 1 41 41 LYS N N 15 127.60 0.1 . 1 . . . . . . . . 5627 1 439 . 1 1 41 41 LYS H H 1 8.30 0.02 . 1 . . . . . . . . 5627 1 440 . 1 1 41 41 LYS C C 13 175.01 0.2 . 1 . . . . . . . . 5627 1 441 . 1 1 41 41 LYS CA C 13 54.95 0.2 . 1 . . . . . . . . 5627 1 442 . 1 1 41 41 LYS CB C 13 36.55 0.2 . 1 . . . . . . . . 5627 1 443 . 1 1 41 41 LYS HA H 1 4.60 0.02 . 1 . . . . . . . . 5627 1 444 . 1 1 41 41 LYS HB2 H 1 1.63 0.02 . 1 . . . . . . . . 5627 1 445 . 1 1 41 41 LYS HB3 H 1 1.63 0.02 . 1 . . . . . . . . 5627 1 446 . 1 1 41 41 LYS HG2 H 1 1.40 0.02 . 1 . . . . . . . . 5627 1 447 . 1 1 41 41 LYS HG3 H 1 1.40 0.02 . 1 . . . . . . . . 5627 1 448 . 1 1 41 41 LYS HE2 H 1 2.90 0.02 . 1 . . . . . . . . 5627 1 449 . 1 1 41 41 LYS HE3 H 1 2.90 0.02 . 1 . . . . . . . . 5627 1 450 . 1 1 42 42 ASN N N 15 124.20 0.1 . 1 . . . . . . . . 5627 1 451 . 1 1 42 42 ASN H H 1 9.06 0.02 . 1 . . . . . . . . 5627 1 452 . 1 1 42 42 ASN C C 13 174.39 0.2 . 1 . . . . . . . . 5627 1 453 . 1 1 42 42 ASN CA C 13 54.01 0.2 . 1 . . . . . . . . 5627 1 454 . 1 1 42 42 ASN CB C 13 37.10 0.2 . 1 . . . . . . . . 5627 1 455 . 1 1 42 42 ASN HA H 1 4.22 0.02 . 1 . . . . . . . . 5627 1 456 . 1 1 42 42 ASN HB2 H 1 2.46 0.02 . 2 . . . . . . . . 5627 1 457 . 1 1 42 42 ASN HB3 H 1 2.96 0.02 . 2 . . . . . . . . 5627 1 458 . 1 1 43 43 GLY N N 15 100.50 0.1 . 1 . . . . . . . . 5627 1 459 . 1 1 43 43 GLY H H 1 6.44 0.02 . 1 . . . . . . . . 5627 1 460 . 1 1 43 43 GLY C C 13 173.27 0.2 . 1 . . . . . . . . 5627 1 461 . 1 1 43 43 GLY CA C 13 45.57 0.2 . 1 . . . . . . . . 5627 1 462 . 1 1 43 43 GLY HA2 H 1 3.39 0.02 . 2 . . . . . . . . 5627 1 463 . 1 1 43 43 GLY HA3 H 1 4.06 0.02 . 2 . . . . . . . . 5627 1 464 . 1 1 44 44 VAL N N 15 122.20 0.1 . 1 . . . . . . . . 5627 1 465 . 1 1 44 44 VAL H H 1 7.27 0.02 . 1 . . . . . . . . 5627 1 466 . 1 1 44 44 VAL C C 13 174.54 0.2 . 1 . . . . . . . . 5627 1 467 . 1 1 44 44 VAL CA C 13 61.27 0.2 . 1 . . . . . . . . 5627 1 468 . 1 1 44 44 VAL CB C 13 34.78 0.2 . 1 . . . . . . . . 5627 1 469 . 1 1 44 44 VAL HA H 1 4.15 0.02 . 1 . . . . . . . . 5627 1 470 . 1 1 44 44 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 5627 1 471 . 1 1 44 44 VAL HG11 H 1 0.84 0.02 . 2 . . . . . . . . 5627 1 472 . 1 1 44 44 VAL HG12 H 1 0.84 0.02 . 2 . . . . . . . . 5627 1 473 . 1 1 44 44 VAL HG13 H 1 0.84 0.02 . 2 . . . . . . . . 5627 1 474 . 1 1 44 44 VAL HG21 H 1 0.90 0.02 . 2 . . . . . . . . 5627 1 475 . 1 1 44 44 VAL HG22 H 1 0.90 0.02 . 2 . . . . . . . . 5627 1 476 . 1 1 44 44 VAL HG23 H 1 0.90 0.02 . 2 . . . . . . . . 5627 1 477 . 1 1 44 44 VAL CG1 C 13 21.10 0.2 . 1 . . . . . . . . 5627 1 478 . 1 1 44 44 VAL CG2 C 13 21.10 0.2 . 1 . . . . . . . . 5627 1 479 . 1 1 45 45 TYR N N 15 123.90 0.1 . 1 . . . . . . . . 5627 1 480 . 1 1 45 45 TYR H H 1 8.28 0.02 . 1 . . . . . . . . 5627 1 481 . 1 1 45 45 TYR C C 13 175.09 0.2 . 1 . . . . . . . . 5627 1 482 . 1 1 45 45 TYR CA C 13 58.11 0.2 . 1 . . . . . . . . 5627 1 483 . 1 1 45 45 TYR CB C 13 39.90 0.2 . 1 . . . . . . . . 5627 1 484 . 1 1 45 45 TYR HA H 1 5.24 0.02 . 1 . . . . . . . . 5627 1 485 . 1 1 45 45 TYR HB2 H 1 2.56 0.02 . 2 . . . . . . . . 5627 1 486 . 1 1 45 45 TYR HB3 H 1 2.90 0.02 . 2 . . . . . . . . 5627 1 487 . 1 1 45 45 TYR HD1 H 1 6.98 0.02 . 1 . . . . . . . . 5627 1 488 . 1 1 45 45 TYR HD2 H 1 6.98 0.02 . 1 . . . . . . . . 5627 1 489 . 1 1 45 45 TYR HE1 H 1 6.54 0.02 . 1 . . . . . . . . 5627 1 490 . 1 1 45 45 TYR HE2 H 1 6.54 0.02 . 1 . . . . . . . . 5627 1 491 . 1 1 46 46 ILE N N 15 122.70 0.1 . 1 . . . . . . . . 5627 1 492 . 1 1 46 46 ILE H H 1 9.05 0.02 . 1 . . . . . . . . 5627 1 493 . 1 1 46 46 ILE CA C 13 58.30 0.2 . 1 . . . . . . . . 5627 1 494 . 1 1 46 46 ILE HA H 1 4.02 0.02 . 1 . . . . . . . . 5627 1 495 . 1 1 46 46 ILE HB H 1 1.63 0.02 . 1 . . . . . . . . 5627 1 496 . 1 1 46 46 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5627 1 497 . 1 1 46 46 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5627 1 498 . 1 1 46 46 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5627 1 499 . 1 1 46 46 ILE HG12 H 1 1.51 0.02 . 1 . . . . . . . . 5627 1 500 . 1 1 46 46 ILE HG13 H 1 1.51 0.02 . 1 . . . . . . . . 5627 1 501 . 1 1 46 46 ILE HD11 H 1 0.65 0.02 . 1 . . . . . . . . 5627 1 502 . 1 1 46 46 ILE HD12 H 1 0.65 0.02 . 1 . . . . . . . . 5627 1 503 . 1 1 46 46 ILE HD13 H 1 0.65 0.02 . 1 . . . . . . . . 5627 1 504 . 1 1 46 46 ILE CD1 C 13 14.10 0.2 . 1 . . . . . . . . 5627 1 505 . 1 1 47 47 PRO C C 13 175.09 0.2 . 1 . . . . . . . . 5627 1 506 . 1 1 47 47 PRO CA C 13 63.03 0.2 . 1 . . . . . . . . 5627 1 507 . 1 1 47 47 PRO CB C 13 31.00 0.2 . 1 . . . . . . . . 5627 1 508 . 1 1 47 47 PRO HA H 1 4.11 0.02 . 1 . . . . . . . . 5627 1 509 . 1 1 47 47 PRO HB2 H 1 1.46 0.02 . 1 . . . . . . . . 5627 1 510 . 1 1 47 47 PRO HB3 H 1 1.46 0.02 . 1 . . . . . . . . 5627 1 511 . 1 1 47 47 PRO HG2 H 1 1.55 0.02 . 1 . . . . . . . . 5627 1 512 . 1 1 47 47 PRO HG3 H 1 1.55 0.02 . 1 . . . . . . . . 5627 1 513 . 1 1 47 47 PRO HD2 H 1 3.19 0.02 . 1 . . . . . . . . 5627 1 514 . 1 1 47 47 PRO HD3 H 1 3.19 0.02 . 1 . . . . . . . . 5627 1 515 . 1 1 48 48 ALA N N 15 125.20 0.1 . 1 . . . . . . . . 5627 1 516 . 1 1 48 48 ALA H H 1 7.68 0.02 . 1 . . . . . . . . 5627 1 517 . 1 1 48 48 ALA C C 13 174.70 0.2 . 1 . . . . . . . . 5627 1 518 . 1 1 48 48 ALA CA C 13 49.67 0.2 . 1 . . . . . . . . 5627 1 519 . 1 1 48 48 ALA CB C 13 17.22 0.2 . 1 . . . . . . . . 5627 1 520 . 1 1 48 48 ALA HA H 1 4.46 0.02 . 1 . . . . . . . . 5627 1 521 . 1 1 48 48 ALA HB1 H 1 1.04 0.02 . 1 . . . . . . . . 5627 1 522 . 1 1 48 48 ALA HB2 H 1 1.04 0.02 . 1 . . . . . . . . 5627 1 523 . 1 1 48 48 ALA HB3 H 1 1.04 0.02 . 1 . . . . . . . . 5627 1 524 . 1 1 49 49 ARG N N 15 119.30 0.1 . 1 . . . . . . . . 5627 1 525 . 1 1 49 49 ARG H H 1 7.98 0.02 . 1 . . . . . . . . 5627 1 526 . 1 1 49 49 ARG C C 13 177.99 0.2 . 1 . . . . . . . . 5627 1 527 . 1 1 49 49 ARG CA C 13 53.65 0.2 . 1 . . . . . . . . 5627 1 528 . 1 1 49 49 ARG CB C 13 36.39 0.2 . 1 . . . . . . . . 5627 1 529 . 1 1 49 49 ARG HA H 1 5.14 0.02 . 1 . . . . . . . . 5627 1 530 . 1 1 49 49 ARG HB2 H 1 2.31 0.02 . 1 . . . . . . . . 5627 1 531 . 1 1 49 49 ARG HB3 H 1 2.31 0.02 . 1 . . . . . . . . 5627 1 532 . 1 1 49 49 ARG HG2 H 1 1.56 0.02 . 1 . . . . . . . . 5627 1 533 . 1 1 49 49 ARG HG3 H 1 1.56 0.02 . 1 . . . . . . . . 5627 1 534 . 1 1 49 49 ARG HD2 H 1 3.28 0.02 . 1 . . . . . . . . 5627 1 535 . 1 1 49 49 ARG HD3 H 1 3.28 0.02 . 1 . . . . . . . . 5627 1 536 . 1 1 50 50 HIS N N 15 119.30 0.1 . 1 . . . . . . . . 5627 1 537 . 1 1 50 50 HIS H H 1 7.97 0.02 . 1 . . . . . . . . 5627 1 538 . 1 1 50 50 HIS C C 13 176.12 0.2 . 1 . . . . . . . . 5627 1 539 . 1 1 50 50 HIS CA C 13 58.67 0.2 . 1 . . . . . . . . 5627 1 540 . 1 1 50 50 HIS CB C 13 31.00 0.2 . 1 . . . . . . . . 5627 1 541 . 1 1 50 50 HIS HA H 1 4.07 0.02 . 1 . . . . . . . . 5627 1 542 . 1 1 50 50 HIS HB2 H 1 2.71 0.02 . 2 . . . . . . . . 5627 1 543 . 1 1 50 50 HIS HB3 H 1 2.86 0.02 . 2 . . . . . . . . 5627 1 544 . 1 1 50 50 HIS HD2 H 1 7.08 0.02 . 1 . . . . . . . . 5627 1 545 . 1 1 51 51 GLU N N 15 122.70 0.1 . 1 . . . . . . . . 5627 1 546 . 1 1 51 51 GLU H H 1 8.98 0.02 . 1 . . . . . . . . 5627 1 547 . 1 1 51 51 GLU C C 13 176.89 0.2 . 1 . . . . . . . . 5627 1 548 . 1 1 51 51 GLU CA C 13 59.75 0.2 . 1 . . . . . . . . 5627 1 549 . 1 1 51 51 GLU CB C 13 27.73 0.2 . 1 . . . . . . . . 5627 1 550 . 1 1 51 51 GLU HA H 1 3.70 0.02 . 1 . . . . . . . . 5627 1 551 . 1 1 51 51 GLU HB2 H 1 1.73 0.02 . 1 . . . . . . . . 5627 1 552 . 1 1 51 51 GLU HB3 H 1 1.73 0.02 . 1 . . . . . . . . 5627 1 553 . 1 1 51 51 GLU HG2 H 1 1.94 0.02 . 1 . . . . . . . . 5627 1 554 . 1 1 51 51 GLU HG3 H 1 1.94 0.02 . 1 . . . . . . . . 5627 1 555 . 1 1 52 52 PHE N N 15 115.70 0.1 . 1 . . . . . . . . 5627 1 556 . 1 1 52 52 PHE H H 1 7.83 0.02 . 1 . . . . . . . . 5627 1 557 . 1 1 52 52 PHE C C 13 174.47 0.2 . 1 . . . . . . . . 5627 1 558 . 1 1 52 52 PHE CA C 13 57.65 0.2 . 1 . . . . . . . . 5627 1 559 . 1 1 52 52 PHE CB C 13 38.27 0.2 . 1 . . . . . . . . 5627 1 560 . 1 1 52 52 PHE HA H 1 4.55 0.02 . 1 . . . . . . . . 5627 1 561 . 1 1 52 52 PHE HB2 H 1 2.92 0.02 . 2 . . . . . . . . 5627 1 562 . 1 1 52 52 PHE HB3 H 1 3.71 0.02 . 2 . . . . . . . . 5627 1 563 . 1 1 52 52 PHE HD1 H 1 7.18 0.02 . 1 . . . . . . . . 5627 1 564 . 1 1 52 52 PHE HD2 H 1 7.18 0.02 . 1 . . . . . . . . 5627 1 565 . 1 1 52 52 PHE HE1 H 1 7.10 0.02 . 1 . . . . . . . . 5627 1 566 . 1 1 52 52 PHE HE2 H 1 7.10 0.02 . 1 . . . . . . . . 5627 1 567 . 1 1 53 53 VAL N N 15 121.00 0.1 . 1 . . . . . . . . 5627 1 568 . 1 1 53 53 VAL H H 1 7.24 0.02 . 1 . . . . . . . . 5627 1 569 . 1 1 53 53 VAL C C 13 177.75 0.2 . 1 . . . . . . . . 5627 1 570 . 1 1 53 53 VAL CA C 13 63.98 0.2 . 1 . . . . . . . . 5627 1 571 . 1 1 53 53 VAL CB C 13 31.95 0.2 . 1 . . . . . . . . 5627 1 572 . 1 1 53 53 VAL HA H 1 4.24 0.02 . 1 . . . . . . . . 5627 1 573 . 1 1 53 53 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 5627 1 574 . 1 1 53 53 VAL HG11 H 1 0.97 0.02 . 2 . . . . . . . . 5627 1 575 . 1 1 53 53 VAL HG12 H 1 0.97 0.02 . 2 . . . . . . . . 5627 1 576 . 1 1 53 53 VAL HG13 H 1 0.97 0.02 . 2 . . . . . . . . 5627 1 577 . 1 1 53 53 VAL HG21 H 1 0.99 0.02 . 2 . . . . . . . . 5627 1 578 . 1 1 53 53 VAL HG22 H 1 0.99 0.02 . 2 . . . . . . . . 5627 1 579 . 1 1 53 53 VAL HG23 H 1 0.99 0.02 . 2 . . . . . . . . 5627 1 580 . 1 1 53 53 VAL CG1 C 13 24.50 0.2 . 1 . . . . . . . . 5627 1 581 . 1 1 53 53 VAL CG2 C 13 22.40 0.2 . 1 . . . . . . . . 5627 1 582 . 1 1 54 54 VAL N N 15 121.00 0.1 . 1 . . . . . . . . 5627 1 583 . 1 1 54 54 VAL C C 13 175.61 0.2 . 1 . . . . . . . . 5627 1 584 . 1 1 54 54 VAL CA C 13 60.56 0.2 . 1 . . . . . . . . 5627 1 585 . 1 1 54 54 VAL CB C 13 33.38 0.2 . 1 . . . . . . . . 5627 1 586 . 1 1 54 54 VAL H H 1 8.81 0.02 . 1 . . . . . . . . 5627 1 587 . 1 1 54 54 VAL HA H 1 4.67 0.02 . 1 . . . . . . . . 5627 1 588 . 1 1 54 54 VAL HB H 1 2.31 0.02 . 1 . . . . . . . . 5627 1 589 . 1 1 54 54 VAL HG11 H 1 0.89 0.02 . 2 . . . . . . . . 5627 1 590 . 1 1 54 54 VAL HG12 H 1 0.89 0.02 . 2 . . . . . . . . 5627 1 591 . 1 1 54 54 VAL HG13 H 1 0.89 0.02 . 2 . . . . . . . . 5627 1 592 . 1 1 54 54 VAL HG21 H 1 0.55 0.02 . 2 . . . . . . . . 5627 1 593 . 1 1 54 54 VAL HG22 H 1 0.55 0.02 . 2 . . . . . . . . 5627 1 594 . 1 1 54 54 VAL HG23 H 1 0.55 0.02 . 2 . . . . . . . . 5627 1 595 . 1 1 54 54 VAL CG1 C 13 20.80 0.2 . 1 . . . . . . . . 5627 1 596 . 1 1 54 54 VAL CG2 C 13 17.60 0.2 . 1 . . . . . . . . 5627 1 597 . 1 1 55 55 HIS N N 15 121.20 0.1 . 1 . . . . . . . . 5627 1 598 . 1 1 55 55 HIS H H 1 7.47 0.02 . 1 . . . . . . . . 5627 1 599 . 1 1 55 55 HIS C C 13 172.43 0.2 . 1 . . . . . . . . 5627 1 600 . 1 1 55 55 HIS CA C 13 58.12 0.2 . 1 . . . . . . . . 5627 1 601 . 1 1 55 55 HIS CB C 13 32.66 0.2 . 1 . . . . . . . . 5627 1 602 . 1 1 55 55 HIS HA H 1 4.73 0.02 . 1 . . . . . . . . 5627 1 603 . 1 1 55 55 HIS HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5627 1 604 . 1 1 55 55 HIS HB3 H 1 3.18 0.02 . 2 . . . . . . . . 5627 1 605 . 1 1 56 56 THR N N 15 114.60 0.1 . 1 . . . . . . . . 5627 1 606 . 1 1 56 56 THR H H 1 6.92 0.02 . 1 . . . . . . . . 5627 1 607 . 1 1 56 56 THR C C 13 172.82 0.2 . 1 . . . . . . . . 5627 1 608 . 1 1 56 56 THR CA C 13 59.99 0.2 . 1 . . . . . . . . 5627 1 609 . 1 1 56 56 THR CB C 13 72.84 0.2 . 1 . . . . . . . . 5627 1 610 . 1 1 56 56 THR HA H 1 5.21 0.02 . 1 . . . . . . . . 5627 1 611 . 1 1 56 56 THR HB H 1 3.84 0.02 . 1 . . . . . . . . 5627 1 612 . 1 1 56 56 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 5627 1 613 . 1 1 56 56 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 5627 1 614 . 1 1 56 56 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 5627 1 615 . 1 1 56 56 THR CG2 C 13 23.70 0.2 . 1 . . . . . . . . 5627 1 616 . 1 1 57 57 ASN N N 15 118.50 0.1 . 1 . . . . . . . . 5627 1 617 . 1 1 57 57 ASN H H 1 6.47 0.02 . 1 . . . . . . . . 5627 1 618 . 1 1 57 57 ASN CA C 13 53.75 0.2 . 1 . . . . . . . . 5627 1 619 . 1 1 57 57 ASN CB C 13 41.55 0.2 . 1 . . . . . . . . 5627 1 620 . 1 1 57 57 ASN HA H 1 4.34 0.02 . 1 . . . . . . . . 5627 1 621 . 1 1 57 57 ASN HB2 H 1 3.10 0.02 . 2 . . . . . . . . 5627 1 622 . 1 1 57 57 ASN HB3 H 1 3.41 0.02 . 2 . . . . . . . . 5627 1 623 . 1 1 58 58 HIS N N 15 119.50 0.1 . 1 . . . . . . . . 5627 1 624 . 1 1 58 58 HIS H H 1 7.22 0.02 . 1 . . . . . . . . 5627 1 625 . 1 1 58 58 HIS HA H 1 4.92 0.02 . 1 . . . . . . . . 5627 1 626 . 1 1 58 58 HIS C C 13 177.28 0.2 . 1 . . . . . . . . 5627 1 627 . 1 1 58 58 HIS CA C 13 58.93 0.2 . 1 . . . . . . . . 5627 1 628 . 1 1 58 58 HIS HB2 H 1 2.66 0.02 . 2 . . . . . . . . 5627 1 629 . 1 1 58 58 HIS HB3 H 1 2.87 0.02 . 2 . . . . . . . . 5627 1 630 . 1 1 59 59 SER HA H 1 3.80 0.02 . 1 . . . . . . . . 5627 1 631 . 1 1 60 60 THR N N 15 117.10 0.1 . 1 . . . . . . . . 5627 1 632 . 1 1 60 60 THR H H 1 7.58 0.02 . 1 . . . . . . . . 5627 1 633 . 1 1 60 60 THR C C 13 172.98 0.2 . 1 . . . . . . . . 5627 1 634 . 1 1 60 60 THR CA C 13 62.70 0.2 . 1 . . . . . . . . 5627 1 635 . 1 1 60 60 THR CB C 13 68.02 0.2 . 1 . . . . . . . . 5627 1 636 . 1 1 60 60 THR HA H 1 4.47 0.02 . 1 . . . . . . . . 5627 1 637 . 1 1 60 60 THR HB H 1 3.81 0.02 . 1 . . . . . . . . 5627 1 638 . 1 1 60 60 THR HG21 H 1 0.90 0.02 . 1 . . . . . . . . 5627 1 639 . 1 1 60 60 THR HG22 H 1 0.90 0.02 . 1 . . . . . . . . 5627 1 640 . 1 1 60 60 THR HG23 H 1 0.90 0.02 . 1 . . . . . . . . 5627 1 641 . 1 1 61 61 ASP N N 15 124.20 0.1 . 1 . . . . . . . . 5627 1 642 . 1 1 61 61 ASP H H 1 8.43 0.02 . 1 . . . . . . . . 5627 1 643 . 1 1 61 61 ASP C C 13 176.42 0.2 . 1 . . . . . . . . 5627 1 644 . 1 1 61 61 ASP CA C 13 51.78 0.2 . 1 . . . . . . . . 5627 1 645 . 1 1 61 61 ASP CB C 13 43.20 0.2 . 1 . . . . . . . . 5627 1 646 . 1 1 61 61 ASP HA H 1 5.44 0.02 . 1 . . . . . . . . 5627 1 647 . 1 1 61 61 ASP HB2 H 1 2.38 0.02 . 2 . . . . . . . . 5627 1 648 . 1 1 61 61 ASP HB3 H 1 2.55 0.02 . 2 . . . . . . . . 5627 1 649 . 1 1 62 62 LEU N N 15 121.50 0.1 . 1 . . . . . . . . 5627 1 650 . 1 1 62 62 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 5627 1 651 . 1 1 62 62 LEU C C 13 176.34 0.2 . 1 . . . . . . . . 5627 1 652 . 1 1 62 62 LEU CA C 13 52.61 0.2 . 1 . . . . . . . . 5627 1 653 . 1 1 62 62 LEU CB C 13 46.55 0.2 . 1 . . . . . . . . 5627 1 654 . 1 1 62 62 LEU HA H 1 5.52 0.02 . 1 . . . . . . . . 5627 1 655 . 1 1 62 62 LEU HB2 H 1 1.51 0.02 . 1 . . . . . . . . 5627 1 656 . 1 1 62 62 LEU HB3 H 1 1.51 0.02 . 1 . . . . . . . . 5627 1 657 . 1 1 62 62 LEU HG H 1 1.38 0.02 . 1 . . . . . . . . 5627 1 658 . 1 1 62 62 LEU HD11 H 1 0.69 0.02 . 2 . . . . . . . . 5627 1 659 . 1 1 62 62 LEU HD12 H 1 0.69 0.02 . 2 . . . . . . . . 5627 1 660 . 1 1 62 62 LEU HD13 H 1 0.69 0.02 . 2 . . . . . . . . 5627 1 661 . 1 1 62 62 LEU HD21 H 1 0.70 0.02 . 2 . . . . . . . . 5627 1 662 . 1 1 62 62 LEU HD22 H 1 0.70 0.02 . 2 . . . . . . . . 5627 1 663 . 1 1 62 62 LEU HD23 H 1 0.70 0.02 . 2 . . . . . . . . 5627 1 664 . 1 1 62 62 LEU CD1 C 13 26.90 0.2 . 1 . . . . . . . . 5627 1 665 . 1 1 62 62 LEU CD2 C 13 23.20 0.2 . 1 . . . . . . . . 5627 1 666 . 1 1 63 63 GLY N N 15 107.30 0.1 . 1 . . . . . . . . 5627 1 667 . 1 1 63 63 GLY H H 1 9.19 0.02 . 1 . . . . . . . . 5627 1 668 . 1 1 63 63 GLY C C 13 171.73 0.2 . 1 . . . . . . . . 5627 1 669 . 1 1 63 63 GLY CA C 13 47.31 0.2 . 1 . . . . . . . . 5627 1 670 . 1 1 63 63 GLY HA2 H 1 3.82 0.02 . 2 . . . . . . . . 5627 1 671 . 1 1 63 63 GLY HA3 H 1 4.83 0.02 . 2 . . . . . . . . 5627 1 672 . 1 1 64 64 PHE N N 15 118.80 0.1 . 1 . . . . . . . . 5627 1 673 . 1 1 64 64 PHE H H 1 8.28 0.02 . 1 . . . . . . . . 5627 1 674 . 1 1 64 64 PHE C C 13 174.23 0.2 . 1 . . . . . . . . 5627 1 675 . 1 1 64 64 PHE CA C 13 57.63 0.2 . 1 . . . . . . . . 5627 1 676 . 1 1 64 64 PHE CB C 13 42.72 0.2 . 1 . . . . . . . . 5627 1 677 . 1 1 64 64 PHE HA H 1 4.93 0.02 . 1 . . . . . . . . 5627 1 678 . 1 1 64 64 PHE HB2 H 1 2.65 0.02 . 2 . . . . . . . . 5627 1 679 . 1 1 64 64 PHE HB3 H 1 3.75 0.02 . 2 . . . . . . . . 5627 1 680 . 1 1 64 64 PHE HD1 H 1 7.54 0.02 . 1 . . . . . . . . 5627 1 681 . 1 1 64 64 PHE HD2 H 1 7.54 0.02 . 1 . . . . . . . . 5627 1 682 . 1 1 65 65 LYS N N 15 124.90 0.1 . 1 . . . . . . . . 5627 1 683 . 1 1 65 65 LYS H H 1 8.50 0.02 . 1 . . . . . . . . 5627 1 684 . 1 1 65 65 LYS C C 13 175.87 0.2 . 1 . . . . . . . . 5627 1 685 . 1 1 65 65 LYS CA C 13 57.40 0.2 . 1 . . . . . . . . 5627 1 686 . 1 1 65 65 LYS CB C 13 30.70 0.2 . 1 . . . . . . . . 5627 1 687 . 1 1 65 65 LYS HA H 1 3.52 0.02 . 1 . . . . . . . . 5627 1 688 . 1 1 65 65 LYS HB2 H 1 1.35 0.02 . 2 . . . . . . . . 5627 1 689 . 1 1 65 65 LYS HB3 H 1 1.83 0.02 . 2 . . . . . . . . 5627 1 690 . 1 1 65 65 LYS CG C 13 24.50 0.2 . 1 . . . . . . . . 5627 1 691 . 1 1 65 65 LYS HG2 H 1 0.32 0.02 . 2 . . . . . . . . 5627 1 692 . 1 1 65 65 LYS HG3 H 1 0.63 0.02 . 2 . . . . . . . . 5627 1 693 . 1 1 65 65 LYS HD2 H 1 0.91 0.02 . 1 . . . . . . . . 5627 1 694 . 1 1 65 65 LYS HD3 H 1 0.91 0.02 . 1 . . . . . . . . 5627 1 695 . 1 1 66 66 GLY N N 15 105.00 0.1 . 1 . . . . . . . . 5627 1 696 . 1 1 66 66 GLY H H 1 8.32 0.02 . 1 . . . . . . . . 5627 1 697 . 1 1 66 66 GLY C C 13 174.31 0.2 . 1 . . . . . . . . 5627 1 698 . 1 1 66 66 GLY CA C 13 45.46 0.2 . 1 . . . . . . . . 5627 1 699 . 1 1 67 67 GLN N N 15 119.50 0.1 . 1 . . . . . . . . 5627 1 700 . 1 1 67 67 GLN H H 1 7.93 0.02 . 1 . . . . . . . . 5627 1 701 . 1 1 67 67 GLN C C 13 174.93 0.2 . 1 . . . . . . . . 5627 1 702 . 1 1 67 67 GLN CA C 13 53.18 0.2 . 1 . . . . . . . . 5627 1 703 . 1 1 67 67 GLN CB C 13 29.13 0.2 . 1 . . . . . . . . 5627 1 704 . 1 1 67 67 GLN HA H 1 4.54 0.02 . 1 . . . . . . . . 5627 1 705 . 1 1 67 67 GLN HB2 H 1 1.79 0.02 . 1 . . . . . . . . 5627 1 706 . 1 1 67 67 GLN HB3 H 1 1.79 0.02 . 1 . . . . . . . . 5627 1 707 . 1 1 68 68 ARG CA C 13 54.70 0.2 . 1 . . . . . . . . 5627 1 708 . 1 1 68 68 ARG HA H 1 5.18 0.02 . 1 . . . . . . . . 5627 1 709 . 1 1 68 68 ARG HB2 H 1 1.76 0.02 . 1 . . . . . . . . 5627 1 710 . 1 1 68 68 ARG HB3 H 1 1.76 0.02 . 1 . . . . . . . . 5627 1 711 . 1 1 68 68 ARG HG2 H 1 1.62 0.02 . 1 . . . . . . . . 5627 1 712 . 1 1 68 68 ARG HG3 H 1 1.62 0.02 . 1 . . . . . . . . 5627 1 713 . 1 1 69 69 ILE N N 15 123.00 0.1 . 1 . . . . . . . . 5627 1 714 . 1 1 69 69 ILE H H 1 9.03 0.02 . 1 . . . . . . . . 5627 1 715 . 1 1 69 69 ILE C C 13 174.23 0.2 . 1 . . . . . . . . 5627 1 716 . 1 1 69 69 ILE CA C 13 60.23 0.2 . 1 . . . . . . . . 5627 1 717 . 1 1 69 69 ILE CB C 13 41.41 0.2 . 1 . . . . . . . . 5627 1 718 . 1 1 69 69 ILE HA H 1 3.88 0.02 . 1 . . . . . . . . 5627 1 719 . 1 1 69 69 ILE HB H 1 1.63 0.02 . 1 . . . . . . . . 5627 1 720 . 1 1 69 69 ILE HG21 H 1 0.38 0.02 . 1 . . . . . . . . 5627 1 721 . 1 1 69 69 ILE HG22 H 1 0.38 0.02 . 1 . . . . . . . . 5627 1 722 . 1 1 69 69 ILE HG23 H 1 0.38 0.02 . 1 . . . . . . . . 5627 1 723 . 1 1 69 69 ILE CG2 C 13 18.60 0.2 . 1 . . . . . . . . 5627 1 724 . 1 1 69 69 ILE HG12 H 1 1.06 0.02 . 2 . . . . . . . . 5627 1 725 . 1 1 69 69 ILE HG13 H 1 1.16 0.02 . 2 . . . . . . . . 5627 1 726 . 1 1 69 69 ILE HD11 H 1 0.51 0.02 . 1 . . . . . . . . 5627 1 727 . 1 1 69 69 ILE HD12 H 1 0.51 0.02 . 1 . . . . . . . . 5627 1 728 . 1 1 69 69 ILE HD13 H 1 0.51 0.02 . 1 . . . . . . . . 5627 1 729 . 1 1 69 69 ILE CD1 C 13 15.40 0.2 . 1 . . . . . . . . 5627 1 730 . 1 1 70 70 LYS N N 15 125.40 0.1 . 1 . . . . . . . . 5627 1 731 . 1 1 70 70 LYS H H 1 8.13 0.02 . 1 . . . . . . . . 5627 1 732 . 1 1 70 70 LYS C C 13 177.43 0.2 . 1 . . . . . . . . 5627 1 733 . 1 1 70 70 LYS CA C 13 56.61 0.2 . 1 . . . . . . . . 5627 1 734 . 1 1 70 70 LYS CB C 13 32.82 0.2 . 1 . . . . . . . . 5627 1 735 . 1 1 70 70 LYS HA H 1 4.42 0.02 . 1 . . . . . . . . 5627 1 736 . 1 1 71 71 THR N N 15 116.40 0.1 . 1 . . . . . . . . 5627 1 737 . 1 1 71 71 THR H H 1 8.19 0.02 . 1 . . . . . . . . 5627 1 738 . 1 1 71 71 THR C C 13 175.25 0.2 . 1 . . . . . . . . 5627 1 739 . 1 1 71 71 THR CA C 13 62.19 0.2 . 1 . . . . . . . . 5627 1 740 . 1 1 71 71 THR CB C 13 64.82 0.2 . 1 . . . . . . . . 5627 1 741 . 1 1 71 71 THR HA H 1 4.01 0.02 . 1 . . . . . . . . 5627 1 742 . 1 1 71 71 THR HG21 H 1 1.03 0.02 . 1 . . . . . . . . 5627 1 743 . 1 1 71 71 THR HG22 H 1 1.03 0.02 . 1 . . . . . . . . 5627 1 744 . 1 1 71 71 THR HG23 H 1 1.03 0.02 . 1 . . . . . . . . 5627 1 745 . 1 1 71 71 THR CG2 C 13 26.00 0.2 . 1 . . . . . . . . 5627 1 746 . 1 1 72 72 VAL N N 15 113.20 0.1 . 1 . . . . . . . . 5627 1 747 . 1 1 72 72 VAL H H 1 8.25 0.02 . 1 . . . . . . . . 5627 1 748 . 1 1 72 72 VAL C C 13 178.22 0.2 . 1 . . . . . . . . 5627 1 749 . 1 1 72 72 VAL CA C 13 62.81 0.2 . 1 . . . . . . . . 5627 1 750 . 1 1 72 72 VAL CB C 13 33.42 0.2 . 1 . . . . . . . . 5627 1 751 . 1 1 72 72 VAL HA H 1 4.04 0.02 . 1 . . . . . . . . 5627 1 752 . 1 1 72 72 VAL HB H 1 2.18 0.02 . 1 . . . . . . . . 5627 1 753 . 1 1 72 72 VAL HG11 H 1 0.24 0.02 . 2 . . . . . . . . 5627 1 754 . 1 1 72 72 VAL HG12 H 1 0.24 0.02 . 2 . . . . . . . . 5627 1 755 . 1 1 72 72 VAL HG13 H 1 0.24 0.02 . 2 . . . . . . . . 5627 1 756 . 1 1 72 72 VAL HG21 H 1 0.68 0.02 . 2 . . . . . . . . 5627 1 757 . 1 1 72 72 VAL HG22 H 1 0.68 0.02 . 2 . . . . . . . . 5627 1 758 . 1 1 72 72 VAL HG23 H 1 0.68 0.02 . 2 . . . . . . . . 5627 1 759 . 1 1 72 72 VAL CG1 C 13 21.40 0.2 . 1 . . . . . . . . 5627 1 760 . 1 1 72 72 VAL CG2 C 13 17.10 0.2 . 1 . . . . . . . . 5627 1 761 . 1 1 73 73 GLU N N 15 118.30 0.1 . 1 . . . . . . . . 5627 1 762 . 1 1 73 73 GLU H H 1 9.50 0.02 . 1 . . . . . . . . 5627 1 763 . 1 1 73 73 GLU C C 13 176.34 0.2 . 1 . . . . . . . . 5627 1 764 . 1 1 73 73 GLU CA C 13 59.56 0.2 . 1 . . . . . . . . 5627 1 765 . 1 1 73 73 GLU CB C 13 27.05 0.2 . 1 . . . . . . . . 5627 1 766 . 1 1 73 73 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 5627 1 767 . 1 1 73 73 GLU HB2 H 1 2.06 0.02 . 1 . . . . . . . . 5627 1 768 . 1 1 73 73 GLU HB3 H 1 2.06 0.02 . 1 . . . . . . . . 5627 1 769 . 1 1 73 73 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 5627 1 770 . 1 1 73 73 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 5627 1 771 . 1 1 74 74 HIS N N 15 119.50 0.1 . 1 . . . . . . . . 5627 1 772 . 1 1 74 74 HIS H H 1 7.94 0.02 . 1 . . . . . . . . 5627 1 773 . 1 1 74 74 HIS HA H 1 4.46 0.02 . 1 . . . . . . . . 5627 1 774 . 1 1 74 74 HIS HB2 H 1 1.03 0.02 . 2 . . . . . . . . 5627 1 775 . 1 1 74 74 HIS HB3 H 1 1.47 0.02 . 2 . . . . . . . . 5627 1 776 . 1 1 74 74 HIS HE1 H 1 7.41 0.02 . 3 . . . . . . . . 5627 1 777 . 1 1 75 75 ILE N N 15 118.60 0.1 . 1 . . . . . . . . 5627 1 778 . 1 1 75 75 ILE H H 1 8.33 0.02 . 1 . . . . . . . . 5627 1 779 . 1 1 75 75 ILE CA C 13 61.70 0.2 . 1 . . . . . . . . 5627 1 780 . 1 1 75 75 ILE HA H 1 3.77 0.02 . 1 . . . . . . . . 5627 1 781 . 1 1 75 75 ILE HB H 1 1.77 0.02 . 1 . . . . . . . . 5627 1 782 . 1 1 75 75 ILE HG12 H 1 1.02 0.02 . 1 . . . . . . . . 5627 1 783 . 1 1 75 75 ILE HG13 H 1 1.02 0.02 . 1 . . . . . . . . 5627 1 784 . 1 1 75 75 ILE HG21 H 1 0.98 0.02 . 1 . . . . . . . . 5627 1 785 . 1 1 75 75 ILE HG22 H 1 0.98 0.02 . 1 . . . . . . . . 5627 1 786 . 1 1 75 75 ILE HG23 H 1 0.98 0.02 . 1 . . . . . . . . 5627 1 787 . 1 1 75 75 ILE CG2 C 13 17.80 0.2 . 1 . . . . . . . . 5627 1 788 . 1 1 75 75 ILE HD11 H 1 0.09 0.02 . 1 . . . . . . . . 5627 1 789 . 1 1 75 75 ILE HD12 H 1 0.09 0.02 . 1 . . . . . . . . 5627 1 790 . 1 1 75 75 ILE HD13 H 1 0.09 0.02 . 1 . . . . . . . . 5627 1 791 . 1 1 75 75 ILE CD1 C 13 12.80 0.2 . 1 . . . . . . . . 5627 1 792 . 1 1 76 76 LEU N N 15 121.00 0.1 . 1 . . . . . . . . 5627 1 793 . 1 1 76 76 LEU H H 1 7.59 0.02 . 1 . . . . . . . . 5627 1 794 . 1 1 76 76 LEU C C 13 178.14 0.2 . 1 . . . . . . . . 5627 1 795 . 1 1 76 76 LEU CA C 13 58.34 0.2 . 1 . . . . . . . . 5627 1 796 . 1 1 76 76 LEU CB C 13 43.28 0.2 . 1 . . . . . . . . 5627 1 797 . 1 1 76 76 LEU HA H 1 4.00 0.02 . 1 . . . . . . . . 5627 1 798 . 1 1 76 76 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 5627 1 799 . 1 1 76 76 LEU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5627 1 800 . 1 1 76 76 LEU HG H 1 1.02 0.02 . 1 . . . . . . . . 5627 1 801 . 1 1 76 76 LEU HD11 H 1 0.74 0.02 . 2 . . . . . . . . 5627 1 802 . 1 1 76 76 LEU HD12 H 1 0.74 0.02 . 2 . . . . . . . . 5627 1 803 . 1 1 76 76 LEU HD13 H 1 0.74 0.02 . 2 . . . . . . . . 5627 1 804 . 1 1 76 76 LEU HD21 H 1 0.68 0.02 . 2 . . . . . . . . 5627 1 805 . 1 1 76 76 LEU HD22 H 1 0.68 0.02 . 2 . . . . . . . . 5627 1 806 . 1 1 76 76 LEU HD23 H 1 0.68 0.02 . 2 . . . . . . . . 5627 1 807 . 1 1 76 76 LEU CD1 C 13 26.00 0.2 . 1 . . . . . . . . 5627 1 808 . 1 1 76 76 LEU CD2 C 13 22.70 0.2 . 1 . . . . . . . . 5627 1 809 . 1 1 77 77 SER N N 15 114.40 0.1 . 1 . . . . . . . . 5627 1 810 . 1 1 77 77 SER H H 1 7.52 0.02 . 1 . . . . . . . . 5627 1 811 . 1 1 77 77 SER C C 13 176.89 0.2 . 1 . . . . . . . . 5627 1 812 . 1 1 77 77 SER CA C 13 61.27 0.2 . 1 . . . . . . . . 5627 1 813 . 1 1 77 77 SER HA H 1 3.48 0.02 . 1 . . . . . . . . 5627 1 814 . 1 1 77 77 SER HB2 H 1 2.98 0.02 . 2 . . . . . . . . 5627 1 815 . 1 1 77 77 SER HB3 H 1 3.17 0.02 . 2 . . . . . . . . 5627 1 816 . 1 1 78 78 VAL N N 15 115.40 0.1 . 1 . . . . . . . . 5627 1 817 . 1 1 78 78 VAL H H 1 7.26 0.02 . 1 . . . . . . . . 5627 1 818 . 1 1 78 78 VAL C C 13 177.02 0.2 . 1 . . . . . . . . 5627 1 819 . 1 1 78 78 VAL CA C 13 68.15 0.2 . 1 . . . . . . . . 5627 1 820 . 1 1 78 78 VAL HA H 1 3.52 0.02 . 1 . . . . . . . . 5627 1 821 . 1 1 78 78 VAL HB H 1 2.19 0.02 . 1 . . . . . . . . 5627 1 822 . 1 1 78 78 VAL HG11 H 1 1.00 0.02 . 2 . . . . . . . . 5627 1 823 . 1 1 78 78 VAL HG12 H 1 1.00 0.02 . 2 . . . . . . . . 5627 1 824 . 1 1 78 78 VAL HG13 H 1 1.00 0.02 . 2 . . . . . . . . 5627 1 825 . 1 1 78 78 VAL HG21 H 1 1.64 0.02 . 2 . . . . . . . . 5627 1 826 . 1 1 78 78 VAL HG22 H 1 1.64 0.02 . 2 . . . . . . . . 5627 1 827 . 1 1 78 78 VAL HG23 H 1 1.64 0.02 . 2 . . . . . . . . 5627 1 828 . 1 1 78 78 VAL CG1 C 13 21.90 0.2 . 1 . . . . . . . . 5627 1 829 . 1 1 78 78 VAL CG2 C 13 24.30 0.2 . 1 . . . . . . . . 5627 1 830 . 1 1 79 79 LEU N N 15 116.40 0.1 . 1 . . . . . . . . 5627 1 831 . 1 1 79 79 LEU H H 1 7.73 0.02 . 1 . . . . . . . . 5627 1 832 . 1 1 79 79 LEU C C 13 177.20 0.2 . 1 . . . . . . . . 5627 1 833 . 1 1 79 79 LEU CA C 13 58.32 0.2 . 1 . . . . . . . . 5627 1 834 . 1 1 79 79 LEU HA H 1 3.87 0.02 . 1 . . . . . . . . 5627 1 835 . 1 1 79 79 LEU HB2 H 1 2.02 0.02 . 1 . . . . . . . . 5627 1 836 . 1 1 79 79 LEU HB3 H 1 2.02 0.02 . 1 . . . . . . . . 5627 1 837 . 1 1 79 79 LEU HG H 1 1.69 0.02 . 1 . . . . . . . . 5627 1 838 . 1 1 79 79 LEU HD11 H 1 0.63 0.02 . 2 . . . . . . . . 5627 1 839 . 1 1 79 79 LEU HD12 H 1 0.63 0.02 . 2 . . . . . . . . 5627 1 840 . 1 1 79 79 LEU HD13 H 1 0.63 0.02 . 2 . . . . . . . . 5627 1 841 . 1 1 79 79 LEU HD21 H 1 0.61 0.02 . 2 . . . . . . . . 5627 1 842 . 1 1 79 79 LEU HD22 H 1 0.61 0.02 . 2 . . . . . . . . 5627 1 843 . 1 1 79 79 LEU HD23 H 1 0.61 0.02 . 2 . . . . . . . . 5627 1 844 . 1 1 79 79 LEU CD1 C 13 27.20 0.2 . 1 . . . . . . . . 5627 1 845 . 1 1 79 79 LEU CD2 C 13 22.00 0.2 . 1 . . . . . . . . 5627 1 846 . 1 1 80 80 HIS N N 15 120.50 0.1 . 1 . . . . . . . . 5627 1 847 . 1 1 80 80 HIS H H 1 8.22 0.02 . 1 . . . . . . . . 5627 1 848 . 1 1 80 80 HIS C C 13 179.39 0.2 . 1 . . . . . . . . 5627 1 849 . 1 1 80 80 HIS CA C 13 56.80 0.2 . 1 . . . . . . . . 5627 1 850 . 1 1 80 80 HIS HA H 1 3.46 0.02 . 1 . . . . . . . . 5627 1 851 . 1 1 80 80 HIS HB2 H 1 2.53 0.02 . 2 . . . . . . . . 5627 1 852 . 1 1 80 80 HIS HB3 H 1 3.09 0.02 . 2 . . . . . . . . 5627 1 853 . 1 1 80 80 HIS HD2 H 1 6.57 0.02 . 1 . . . . . . . . 5627 1 854 . 1 1 81 81 LEU N N 15 119.00 0.1 . 1 . . . . . . . . 5627 1 855 . 1 1 81 81 LEU H H 1 8.62 0.02 . 1 . . . . . . . . 5627 1 856 . 1 1 81 81 LEU C C 13 179.02 0.2 . 1 . . . . . . . . 5627 1 857 . 1 1 81 81 LEU CA C 13 57.52 0.2 . 1 . . . . . . . . 5627 1 858 . 1 1 81 81 LEU CB C 13 43.01 0.2 . 1 . . . . . . . . 5627 1 859 . 1 1 81 81 LEU HA H 1 3.97 0.02 . 1 . . . . . . . . 5627 1 860 . 1 1 81 81 LEU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5627 1 861 . 1 1 81 81 LEU HB3 H 1 2.10 0.02 . 2 . . . . . . . . 5627 1 862 . 1 1 81 81 LEU HG H 1 1.35 0.02 . 1 . . . . . . . . 5627 1 863 . 1 1 81 81 LEU HD11 H 1 0.69 0.02 . 2 . . . . . . . . 5627 1 864 . 1 1 81 81 LEU HD12 H 1 0.69 0.02 . 2 . . . . . . . . 5627 1 865 . 1 1 81 81 LEU HD13 H 1 0.69 0.02 . 2 . . . . . . . . 5627 1 866 . 1 1 81 81 LEU HD21 H 1 0.71 0.02 . 2 . . . . . . . . 5627 1 867 . 1 1 81 81 LEU HD22 H 1 0.71 0.02 . 2 . . . . . . . . 5627 1 868 . 1 1 81 81 LEU HD23 H 1 0.71 0.02 . 2 . . . . . . . . 5627 1 869 . 1 1 81 81 LEU CD1 C 13 25.90 0.2 . 1 . . . . . . . . 5627 1 870 . 1 1 81 81 LEU CD2 C 13 25.90 0.02 . 1 . . . . . . . . 5627 1 871 . 1 1 82 82 LEU N N 15 115.90 0.1 . 1 . . . . . . . . 5627 1 872 . 1 1 82 82 LEU H H 1 7.58 0.02 . 1 . . . . . . . . 5627 1 873 . 1 1 82 82 LEU C C 13 174.47 0.2 . 1 . . . . . . . . 5627 1 874 . 1 1 82 82 LEU CA C 13 54.48 0.2 . 1 . . . . . . . . 5627 1 875 . 1 1 82 82 LEU CB C 13 42.75 0.2 . 1 . . . . . . . . 5627 1 876 . 1 1 82 82 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 5627 1 877 . 1 1 82 82 LEU HB2 H 1 1.65 0.02 . 2 . . . . . . . . 5627 1 878 . 1 1 82 82 LEU HB3 H 1 1.82 0.02 . 2 . . . . . . . . 5627 1 879 . 1 1 82 82 LEU HG H 1 1.57 0.02 . 1 . . . . . . . . 5627 1 880 . 1 1 82 82 LEU HD11 H 1 0.65 0.02 . 2 . . . . . . . . 5627 1 881 . 1 1 82 82 LEU HD12 H 1 0.65 0.02 . 2 . . . . . . . . 5627 1 882 . 1 1 82 82 LEU HD13 H 1 0.65 0.02 . 2 . . . . . . . . 5627 1 883 . 1 1 82 82 LEU HD21 H 1 0.84 0.02 . 2 . . . . . . . . 5627 1 884 . 1 1 82 82 LEU HD22 H 1 0.84 0.02 . 2 . . . . . . . . 5627 1 885 . 1 1 82 82 LEU HD23 H 1 0.84 0.02 . 2 . . . . . . . . 5627 1 886 . 1 1 82 82 LEU CD1 C 13 26.70 0.2 . 1 . . . . . . . . 5627 1 887 . 1 1 82 82 LEU CD2 C 13 22.60 0.2 . 1 . . . . . . . . 5627 1 888 . 1 1 83 83 GLU N N 15 117.10 0.1 . 1 . . . . . . . . 5627 1 889 . 1 1 83 83 GLU H H 1 7.87 0.02 . 1 . . . . . . . . 5627 1 890 . 1 1 83 83 GLU C C 13 174.70 0.2 . 1 . . . . . . . . 5627 1 891 . 1 1 83 83 GLU CA C 13 58.21 0.2 . 1 . . . . . . . . 5627 1 892 . 1 1 83 83 GLU CB C 13 27.50 0.2 . 1 . . . . . . . . 5627 1 893 . 1 1 83 83 GLU HA H 1 3.34 0.02 . 1 . . . . . . . . 5627 1 894 . 1 1 83 83 GLU HB2 H 1 2.09 0.02 . 2 . . . . . . . . 5627 1 895 . 1 1 83 83 GLU HB3 H 1 2.24 0.02 . 2 . . . . . . . . 5627 1 896 . 1 1 83 83 GLU HG2 H 1 2.44 0.02 . 1 . . . . . . . . 5627 1 897 . 1 1 83 83 GLU HG3 H 1 2.44 0.02 . 1 . . . . . . . . 5627 1 898 . 1 1 84 84 ILE N N 15 116.60 0.1 . 1 . . . . . . . . 5627 1 899 . 1 1 84 84 ILE H H 1 8.29 0.02 . 1 . . . . . . . . 5627 1 900 . 1 1 84 84 ILE C C 13 177.12 0.2 . 1 . . . . . . . . 5627 1 901 . 1 1 84 84 ILE CA C 13 60.31 0.2 . 1 . . . . . . . . 5627 1 902 . 1 1 84 84 ILE CB C 13 35.55 0.2 . 1 . . . . . . . . 5627 1 903 . 1 1 84 84 ILE HA H 1 3.91 0.02 . 1 . . . . . . . . 5627 1 904 . 1 1 84 84 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 5627 1 905 . 1 1 84 84 ILE HG21 H 1 0.66 0.02 . 1 . . . . . . . . 5627 1 906 . 1 1 84 84 ILE HG22 H 1 0.66 0.02 . 1 . . . . . . . . 5627 1 907 . 1 1 84 84 ILE HG23 H 1 0.66 0.02 . 1 . . . . . . . . 5627 1 908 . 1 1 84 84 ILE HG12 H 1 1.21 0.02 . 2 . . . . . . . . 5627 1 909 . 1 1 84 84 ILE HG13 H 1 1.32 0.02 . 2 . . . . . . . . 5627 1 910 . 1 1 84 84 ILE HD11 H 1 0.50 0.02 . 1 . . . . . . . . 5627 1 911 . 1 1 84 84 ILE HD12 H 1 0.50 0.02 . 1 . . . . . . . . 5627 1 912 . 1 1 84 84 ILE HD13 H 1 0.50 0.02 . 1 . . . . . . . . 5627 1 913 . 1 1 84 84 ILE CD1 C 13 11.20 0.2 . 1 . . . . . . . . 5627 1 914 . 1 1 85 85 THR N N 15 117.10 0.1 . 1 . . . . . . . . 5627 1 915 . 1 1 85 85 THR C C 13 172.98 0.2 . 1 . . . . . . . . 5627 1 916 . 1 1 85 85 THR CA C 13 62.31 0.2 . 1 . . . . . . . . 5627 1 917 . 1 1 85 85 THR CB C 13 71.89 0.2 . 1 . . . . . . . . 5627 1 918 . 1 1 85 85 THR H H 1 8.17 0.02 . 1 . . . . . . . . 5627 1 919 . 1 1 85 85 THR HA H 1 3.93 0.02 . 1 . . . . . . . . 5627 1 920 . 1 1 85 85 THR HB H 1 3.53 0.02 . 1 . . . . . . . . 5627 1 921 . 1 1 85 85 THR HG21 H 1 0.70 0.02 . 1 . . . . . . . . 5627 1 922 . 1 1 85 85 THR HG22 H 1 0.70 0.02 . 1 . . . . . . . . 5627 1 923 . 1 1 85 85 THR HG23 H 1 0.70 0.02 . 1 . . . . . . . . 5627 1 924 . 1 1 85 85 THR CG2 C 13 21.70 0.2 . 1 . . . . . . . . 5627 1 925 . 1 1 86 86 ASN N N 15 119.10 0.1 . 1 . . . . . . . . 5627 1 926 . 1 1 86 86 ASN H H 1 7.48 0.02 . 1 . . . . . . . . 5627 1 927 . 1 1 86 86 ASN C C 13 173.37 0.2 . 1 . . . . . . . . 5627 1 928 . 1 1 86 86 ASN CA C 13 51.89 0.2 . 1 . . . . . . . . 5627 1 929 . 1 1 86 86 ASN CB C 13 42.96 0.2 . 1 . . . . . . . . 5627 1 930 . 1 1 86 86 ASN HA H 1 5.39 0.02 . 1 . . . . . . . . 5627 1 931 . 1 1 86 86 ASN HB2 H 1 2.21 0.02 . 2 . . . . . . . . 5627 1 932 . 1 1 86 86 ASN HB3 H 1 2.65 0.02 . 2 . . . . . . . . 5627 1 933 . 1 1 87 87 VAL N N 15 120.80 0.1 . 1 . . . . . . . . 5627 1 934 . 1 1 87 87 VAL H H 1 8.06 0.02 . 1 . . . . . . . . 5627 1 935 . 1 1 87 87 VAL C C 13 173.68 0.2 . 1 . . . . . . . . 5627 1 936 . 1 1 87 87 VAL CA C 13 61.61 0.2 . 1 . . . . . . . . 5627 1 937 . 1 1 87 87 VAL CB C 13 37.54 0.2 . 1 . . . . . . . . 5627 1 938 . 1 1 87 87 VAL HA H 1 4.60 0.02 . 1 . . . . . . . . 5627 1 939 . 1 1 87 87 VAL HB H 1 1.94 0.02 . 1 . . . . . . . . 5627 1 940 . 1 1 87 87 VAL HG11 H 1 0.72 0.02 . 2 . . . . . . . . 5627 1 941 . 1 1 87 87 VAL HG12 H 1 0.72 0.02 . 2 . . . . . . . . 5627 1 942 . 1 1 87 87 VAL HG13 H 1 0.72 0.02 . 2 . . . . . . . . 5627 1 943 . 1 1 87 87 VAL HG21 H 1 0.85 0.02 . 2 . . . . . . . . 5627 1 944 . 1 1 87 87 VAL HG22 H 1 0.85 0.02 . 2 . . . . . . . . 5627 1 945 . 1 1 87 87 VAL HG23 H 1 0.85 0.02 . 2 . . . . . . . . 5627 1 946 . 1 1 87 87 VAL CG1 C 13 21.70 0.2 . 1 . . . . . . . . 5627 1 947 . 1 1 87 87 VAL CG2 C 13 24.90 0.2 . 1 . . . . . . . . 5627 1 948 . 1 1 88 88 THR N N 15 120.00 0.1 . 1 . . . . . . . . 5627 1 949 . 1 1 88 88 THR H H 1 8.18 0.02 . 1 . . . . . . . . 5627 1 950 . 1 1 88 88 THR C C 13 173.85 0.2 . 1 . . . . . . . . 5627 1 951 . 1 1 88 88 THR CA C 13 61.73 0.2 . 1 . . . . . . . . 5627 1 952 . 1 1 88 88 THR CB C 13 70.49 0.2 . 1 . . . . . . . . 5627 1 953 . 1 1 88 88 THR HA H 1 5.15 0.02 . 1 . . . . . . . . 5627 1 954 . 1 1 88 88 THR HB H 1 3.87 0.02 . 1 . . . . . . . . 5627 1 955 . 1 1 88 88 THR HG21 H 1 1.02 0.02 . 1 . . . . . . . . 5627 1 956 . 1 1 88 88 THR HG22 H 1 1.02 0.02 . 1 . . . . . . . . 5627 1 957 . 1 1 88 88 THR HG23 H 1 1.02 0.02 . 1 . . . . . . . . 5627 1 958 . 1 1 88 88 THR CG2 C 13 23.70 0.2 . 1 . . . . . . . . 5627 1 959 . 1 1 89 89 ILE N N 15 129.30 0.1 . 1 . . . . . . . . 5627 1 960 . 1 1 89 89 ILE H H 1 9.27 0.02 . 1 . . . . . . . . 5627 1 961 . 1 1 89 89 ILE C C 13 174.46 0.2 . 1 . . . . . . . . 5627 1 962 . 1 1 89 89 ILE CA C 13 60.46 0.2 . 1 . . . . . . . . 5627 1 963 . 1 1 89 89 ILE CB C 13 37.11 0.2 . 1 . . . . . . . . 5627 1 964 . 1 1 89 89 ILE HA H 1 4.54 0.02 . 1 . . . . . . . . 5627 1 965 . 1 1 89 89 ILE HB H 1 1.46 0.02 . 1 . . . . . . . . 5627 1 966 . 1 1 89 89 ILE HG21 H 1 0.77 0.02 . 1 . . . . . . . . 5627 1 967 . 1 1 89 89 ILE HG22 H 1 0.77 0.02 . 1 . . . . . . . . 5627 1 968 . 1 1 89 89 ILE HG23 H 1 0.77 0.02 . 1 . . . . . . . . 5627 1 969 . 1 1 89 89 ILE HG12 H 1 1.15 0.02 . 1 . . . . . . . . 5627 1 970 . 1 1 89 89 ILE HG13 H 1 1.15 0.02 . 1 . . . . . . . . 5627 1 971 . 1 1 89 89 ILE HD11 H 1 0.02 0.02 . 1 . . . . . . . . 5627 1 972 . 1 1 89 89 ILE HD12 H 1 0.02 0.02 . 1 . . . . . . . . 5627 1 973 . 1 1 89 89 ILE HD13 H 1 0.02 0.02 . 1 . . . . . . . . 5627 1 974 . 1 1 89 89 ILE CD1 C 13 13.70 0.2 . 1 . . . . . . . . 5627 1 975 . 1 1 90 90 GLU N N 15 132.70 0.1 . 1 . . . . . . . . 5627 1 976 . 1 1 90 90 GLU H H 1 9.90 0.02 . 1 . . . . . . . . 5627 1 977 . 1 1 90 90 GLU C C 13 175.09 0.2 . 1 . . . . . . . . 5627 1 978 . 1 1 90 90 GLU CA C 13 55.32 0.2 . 1 . . . . . . . . 5627 1 979 . 1 1 90 90 GLU CB C 13 31.26 0.2 . 1 . . . . . . . . 5627 1 980 . 1 1 90 90 GLU HA H 1 5.33 0.02 . 1 . . . . . . . . 5627 1 981 . 1 1 90 90 GLU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5627 1 982 . 1 1 90 90 GLU HB3 H 1 1.94 0.02 . 2 . . . . . . . . 5627 1 983 . 1 1 90 90 GLU HG2 H 1 2.18 0.02 . 2 . . . . . . . . 5627 1 984 . 1 1 90 90 GLU HG3 H 1 2.31 0.02 . 2 . . . . . . . . 5627 1 985 . 1 1 91 91 VAL N N 15 127.80 0.1 . 1 . . . . . . . . 5627 1 986 . 1 1 91 91 VAL H H 1 8.94 0.02 . 1 . . . . . . . . 5627 1 987 . 1 1 91 91 VAL C C 13 174.54 0.2 . 1 . . . . . . . . 5627 1 988 . 1 1 91 91 VAL CA C 13 61.51 0.2 . 1 . . . . . . . . 5627 1 989 . 1 1 91 91 VAL CB C 13 34.07 0.2 . 1 . . . . . . . . 5627 1 990 . 1 1 91 91 VAL HA H 1 4.64 0.02 . 1 . . . . . . . . 5627 1 991 . 1 1 91 91 VAL HB H 1 1.93 0.02 . 1 . . . . . . . . 5627 1 992 . 1 1 91 91 VAL HG11 H 1 0.65 0.02 . 2 . . . . . . . . 5627 1 993 . 1 1 91 91 VAL HG12 H 1 0.65 0.02 . 2 . . . . . . . . 5627 1 994 . 1 1 91 91 VAL HG13 H 1 0.65 0.02 . 2 . . . . . . . . 5627 1 995 . 1 1 91 91 VAL HG21 H 1 1.02 0.02 . 2 . . . . . . . . 5627 1 996 . 1 1 91 91 VAL HG22 H 1 1.02 0.02 . 2 . . . . . . . . 5627 1 997 . 1 1 91 91 VAL HG23 H 1 1.02 0.02 . 2 . . . . . . . . 5627 1 998 . 1 1 91 91 VAL CG1 C 13 20.00 0.2 . 1 . . . . . . . . 5627 1 999 . 1 1 91 91 VAL CG2 C 13 22.30 0.2 . 1 . . . . . . . . 5627 1 1000 . 1 1 92 92 ILE N N 15 131.20 0.1 . 1 . . . . . . . . 5627 1 1001 . 1 1 92 92 ILE H H 1 9.23 0.02 . 1 . . . . . . . . 5627 1 1002 . 1 1 92 92 ILE C C 13 175.33 0.2 . 1 . . . . . . . . 5627 1 1003 . 1 1 92 92 ILE CA C 13 60.92 0.2 . 1 . . . . . . . . 5627 1 1004 . 1 1 92 92 ILE CB C 13 37.20 0.2 . 1 . . . . . . . . 5627 1 1005 . 1 1 92 92 ILE HA H 1 4.36 0.02 . 1 . . . . . . . . 5627 1 1006 . 1 1 92 92 ILE HB H 1 2.06 0.02 . 1 . . . . . . . . 5627 1 1007 . 1 1 92 92 ILE HG21 H 1 1.00 0.02 . 1 . . . . . . . . 5627 1 1008 . 1 1 92 92 ILE HG22 H 1 1.00 0.02 . 1 . . . . . . . . 5627 1 1009 . 1 1 92 92 ILE HG23 H 1 1.00 0.02 . 1 . . . . . . . . 5627 1 1010 . 1 1 92 92 ILE HG12 H 1 1.20 0.02 . 2 . . . . . . . . 5627 1 1011 . 1 1 92 92 ILE HG13 H 1 1.48 0.02 . 2 . . . . . . . . 5627 1 1012 . 1 1 92 92 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 5627 1 1013 . 1 1 92 92 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 5627 1 1014 . 1 1 92 92 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 5627 1 1015 . 1 1 92 92 ILE CD1 C 13 14.00 0.2 . 1 . . . . . . . . 5627 1 1016 . 1 1 93 93 GLY N N 15 112.00 0.1 . 1 . . . . . . . . 5627 1 1017 . 1 1 93 93 GLY H H 1 7.75 0.02 . 1 . . . . . . . . 5627 1 1018 . 1 1 93 93 GLY C C 13 173.29 0.2 . 1 . . . . . . . . 5627 1 1019 . 1 1 93 93 GLY CA C 13 44.04 0.2 . 1 . . . . . . . . 5627 1 1020 . 1 1 93 93 GLY HA2 H 1 3.89 0.02 . 2 . . . . . . . . 5627 1 1021 . 1 1 93 93 GLY HA3 H 1 4.81 0.02 . 2 . . . . . . . . 5627 1 1022 . 1 1 94 94 ASN N N 15 115.10 0.1 . 1 . . . . . . . . 5627 1 1023 . 1 1 94 94 ASN H H 1 8.95 0.02 . 1 . . . . . . . . 5627 1 1024 . 1 1 94 94 ASN CA C 13 53.42 0.2 . 1 . . . . . . . . 5627 1 1025 . 1 1 94 94 ASN CB C 13 40.80 0.2 . 1 . . . . . . . . 5627 1 1026 . 1 1 94 94 ASN HA H 1 4.81 0.02 . 1 . . . . . . . . 5627 1 1027 . 1 1 94 94 ASN HB2 H 1 2.57 0.02 . 2 . . . . . . . . 5627 1 1028 . 1 1 94 94 ASN HB3 H 1 2.88 0.02 . 2 . . . . . . . . 5627 1 1029 . 1 1 95 95 GLU N N 15 121.20 0.1 . 1 . . . . . . . . 5627 1 1030 . 1 1 95 95 GLU H H 1 7.43 0.02 . 1 . . . . . . . . 5627 1 1031 . 1 1 95 95 GLU C C 13 173.45 0.2 . 1 . . . . . . . . 5627 1 1032 . 1 1 95 95 GLU CA C 13 54.24 0.2 . 1 . . . . . . . . 5627 1 1033 . 1 1 95 95 GLU CB C 13 33.37 0.2 . 1 . . . . . . . . 5627 1 1034 . 1 1 95 95 GLU HA H 1 4.80 0.02 . 1 . . . . . . . . 5627 1 1035 . 1 1 95 95 GLU HB2 H 1 1.57 0.02 . 1 . . . . . . . . 5627 1 1036 . 1 1 95 95 GLU HB3 H 1 1.57 0.02 . 1 . . . . . . . . 5627 1 1037 . 1 1 95 95 GLU HG2 H 1 1.74 0.02 . 1 . . . . . . . . 5627 1 1038 . 1 1 95 95 GLU HG3 H 1 1.74 0.02 . 1 . . . . . . . . 5627 1 1039 . 1 1 96 96 ILE N N 15 125.40 0.1 . 1 . . . . . . . . 5627 1 1040 . 1 1 96 96 ILE H H 1 7.53 0.02 . 1 . . . . . . . . 5627 1 1041 . 1 1 96 96 ILE C C 13 176.03 0.2 . 1 . . . . . . . . 5627 1 1042 . 1 1 96 96 ILE CA C 13 56.82 0.2 . 1 . . . . . . . . 5627 1 1043 . 1 1 96 96 ILE CB C 13 35.33 0.2 . 1 . . . . . . . . 5627 1 1044 . 1 1 96 96 ILE HA H 1 4.07 0.02 . 1 . . . . . . . . 5627 1 1045 . 1 1 96 96 ILE HB H 1 2.49 0.02 . 1 . . . . . . . . 5627 1 1046 . 1 1 96 96 ILE HG21 H 1 1.01 0.02 . 1 . . . . . . . . 5627 1 1047 . 1 1 96 96 ILE HG22 H 1 1.01 0.02 . 1 . . . . . . . . 5627 1 1048 . 1 1 96 96 ILE HG23 H 1 1.01 0.02 . 1 . . . . . . . . 5627 1 1049 . 1 1 96 96 ILE CG2 C 13 23.50 0.2 . 1 . . . . . . . . 5627 1 1050 . 1 1 96 96 ILE HG12 H 1 1.59 0.02 . 2 . . . . . . . . 5627 1 1051 . 1 1 96 96 ILE HG13 H 1 1.66 0.02 . 2 . . . . . . . . 5627 1 1052 . 1 1 96 96 ILE HD11 H 1 0.67 0.02 . 1 . . . . . . . . 5627 1 1053 . 1 1 96 96 ILE HD12 H 1 0.67 0.02 . 1 . . . . . . . . 5627 1 1054 . 1 1 96 96 ILE HD13 H 1 0.67 0.02 . 1 . . . . . . . . 5627 1 1055 . 1 1 96 96 ILE CD1 C 13 10.30 0.2 . 1 . . . . . . . . 5627 1 1056 . 1 1 97 97 PRO C C 13 176.03 0.2 . 1 . . . . . . . . 5627 1 1057 . 1 1 97 97 PRO CA C 13 63.39 0.2 . 1 . . . . . . . . 5627 1 1058 . 1 1 97 97 PRO CB C 13 31.00 0.2 . 1 . . . . . . . . 5627 1 1059 . 1 1 97 97 PRO HA H 1 3.88 0.02 . 1 . . . . . . . . 5627 1 1060 . 1 1 97 97 PRO HB2 H 1 1.88 0.02 . 1 . . . . . . . . 5627 1 1061 . 1 1 97 97 PRO HB3 H 1 1.88 0.02 . 1 . . . . . . . . 5627 1 1062 . 1 1 97 97 PRO HG2 H 1 1.61 0.02 . 1 . . . . . . . . 5627 1 1063 . 1 1 97 97 PRO HG3 H 1 1.61 0.02 . 1 . . . . . . . . 5627 1 1064 . 1 1 97 97 PRO HD2 H 1 3.55 0.02 . 2 . . . . . . . . 5627 1 1065 . 1 1 97 97 PRO HD3 H 1 3.73 0.02 . 2 . . . . . . . . 5627 1 1066 . 1 1 98 98 ILE N N 15 122.20 0.1 . 1 . . . . . . . . 5627 1 1067 . 1 1 98 98 ILE H H 1 8.29 0.02 . 1 . . . . . . . . 5627 1 1068 . 1 1 98 98 ILE C C 13 176.65 0.2 . 1 . . . . . . . . 5627 1 1069 . 1 1 98 98 ILE CA C 13 57.38 0.2 . 1 . . . . . . . . 5627 1 1070 . 1 1 98 98 ILE CB C 13 39.31 0.2 . 1 . . . . . . . . 5627 1 1071 . 1 1 98 98 ILE HA H 1 4.49 0.02 . 1 . . . . . . . . 5627 1 1072 . 1 1 98 98 ILE HB H 1 2.20 0.02 . 1 . . . . . . . . 5627 1 1073 . 1 1 98 98 ILE HG21 H 1 0.92 0.02 . 1 . . . . . . . . 5627 1 1074 . 1 1 98 98 ILE HG22 H 1 0.92 0.02 . 1 . . . . . . . . 5627 1 1075 . 1 1 98 98 ILE HG23 H 1 0.92 0.02 . 1 . . . . . . . . 5627 1 1076 . 1 1 98 98 ILE CG2 C 13 19.10 0.2 . 1 . . . . . . . . 5627 1 1077 . 1 1 98 98 ILE HG12 H 1 1.31 0.02 . 2 . . . . . . . . 5627 1 1078 . 1 1 98 98 ILE HG13 H 1 1.52 0.02 . 2 . . . . . . . . 5627 1 1079 . 1 1 98 98 ILE HD11 H 1 1.10 0.02 . 1 . . . . . . . . 5627 1 1080 . 1 1 98 98 ILE HD12 H 1 1.10 0.02 . 1 . . . . . . . . 5627 1 1081 . 1 1 98 98 ILE HD13 H 1 1.10 0.02 . 1 . . . . . . . . 5627 1 1082 . 1 1 98 98 ILE CD1 C 13 12.90 0.2 . 1 . . . . . . . . 5627 1 1083 . 1 1 99 99 LEU N N 15 124.90 0.1 . 1 . . . . . . . . 5627 1 1084 . 1 1 99 99 LEU H H 1 9.18 0.02 . 1 . . . . . . . . 5627 1 1085 . 1 1 99 99 LEU C C 13 175.95 0.2 . 1 . . . . . . . . 5627 1 1086 . 1 1 99 99 LEU CA C 13 56.47 0.2 . 1 . . . . . . . . 5627 1 1087 . 1 1 99 99 LEU CB C 13 36.23 0.2 . 1 . . . . . . . . 5627 1 1088 . 1 1 99 99 LEU HA H 1 3.87 0.02 . 1 . . . . . . . . 5627 1 1089 . 1 1 99 99 LEU HB2 H 1 2.15 0.02 . 1 . . . . . . . . 5627 1 1090 . 1 1 99 99 LEU HB3 H 1 2.15 0.02 . 1 . . . . . . . . 5627 1 1091 . 1 1 99 99 LEU HG H 1 1.36 0.02 . 1 . . . . . . . . 5627 1 1092 . 1 1 99 99 LEU HD11 H 1 -0.01 0.02 . 2 . . . . . . . . 5627 1 1093 . 1 1 99 99 LEU HD12 H 1 -0.01 0.02 . 2 . . . . . . . . 5627 1 1094 . 1 1 99 99 LEU HD13 H 1 -0.01 0.02 . 2 . . . . . . . . 5627 1 1095 . 1 1 99 99 LEU HD21 H 1 0.73 0.02 . 2 . . . . . . . . 5627 1 1096 . 1 1 99 99 LEU HD22 H 1 0.73 0.02 . 2 . . . . . . . . 5627 1 1097 . 1 1 99 99 LEU HD23 H 1 0.73 0.02 . 2 . . . . . . . . 5627 1 1098 . 1 1 99 99 LEU CD1 C 13 25.90 0.2 . 1 . . . . . . . . 5627 1 1099 . 1 1 99 99 LEU CD2 C 13 22.40 0.2 . 1 . . . . . . . . 5627 1 1100 . 1 1 100 100 ASP N N 15 122.20 0.1 . 1 . . . . . . . . 5627 1 1101 . 1 1 100 100 ASP H H 1 7.42 0.02 . 1 . . . . . . . . 5627 1 1102 . 1 1 100 100 ASP HA H 1 4.89 0.02 . 1 . . . . . . . . 5627 1 1103 . 1 1 100 100 ASP HB2 H 1 1.35 0.02 . 2 . . . . . . . . 5627 1 1104 . 1 1 100 100 ASP HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5627 1 1105 . 1 1 101 101 GLY N N 15 105.80 0.1 . 1 . . . . . . . . 5627 1 1106 . 1 1 101 101 GLY H H 1 8.19 0.02 . 1 . . . . . . . . 5627 1 1107 . 1 1 101 101 GLY C C 13 176.03 0.2 . 1 . . . . . . . . 5627 1 1108 . 1 1 101 101 GLY CA C 13 45.92 0.2 . 1 . . . . . . . . 5627 1 1109 . 1 1 101 101 GLY HA2 H 1 3.50 0.02 . 2 . . . . . . . . 5627 1 1110 . 1 1 101 101 GLY HA3 H 1 4.85 0.02 . 2 . . . . . . . . 5627 1 1111 . 1 1 102 102 SER H H 1 8.52 0.02 . 1 . . . . . . . . 5627 1 1112 . 1 1 102 102 SER HA H 1 3.84 0.02 . 1 . . . . . . . . 5627 1 1113 . 1 1 102 102 SER HB2 H 1 3.02 0.02 . 1 . . . . . . . . 5627 1 1114 . 1 1 102 102 SER HB3 H 1 3.02 0.02 . 1 . . . . . . . . 5627 1 1115 . 1 1 103 103 GLY N N 15 109.00 0.1 . 1 . . . . . . . . 5627 1 1116 . 1 1 103 103 GLY H H 1 8.28 0.02 . 1 . . . . . . . . 5627 1 1117 . 1 1 103 103 GLY C C 13 174.62 0.2 . 1 . . . . . . . . 5627 1 1118 . 1 1 103 103 GLY CA C 13 46.44 0.2 . 1 . . . . . . . . 5627 1 1119 . 1 1 103 103 GLY HA2 H 1 3.48 0.02 . 2 . . . . . . . . 5627 1 1120 . 1 1 103 103 GLY HA3 H 1 4.51 0.02 . 2 . . . . . . . . 5627 1 1121 . 1 1 104 104 TRP N N 15 124.70 0.1 . 1 . . . . . . . . 5627 1 1122 . 1 1 104 104 TRP H H 1 8.76 0.02 . 1 . . . . . . . . 5627 1 1123 . 1 1 104 104 TRP C C 13 176.03 0.2 . 1 . . . . . . . . 5627 1 1124 . 1 1 104 104 TRP CA C 13 61.51 0.2 . 1 . . . . . . . . 5627 1 1125 . 1 1 104 104 TRP CB C 13 31.24 0.2 . 1 . . . . . . . . 5627 1 1126 . 1 1 104 104 TRP HA H 1 4.20 0.02 . 1 . . . . . . . . 5627 1 1127 . 1 1 104 104 TRP HB2 H 1 3.13 0.02 . 2 . . . . . . . . 5627 1 1128 . 1 1 104 104 TRP HB3 H 1 3.33 0.02 . 2 . . . . . . . . 5627 1 1129 . 1 1 104 104 TRP HD1 H 1 7.11 0.02 . 1 . . . . . . . . 5627 1 1130 . 1 1 104 104 TRP HE3 H 1 7.34 0.02 . 1 . . . . . . . . 5627 1 1131 . 1 1 104 104 TRP HZ3 H 1 6.86 0.02 . 1 . . . . . . . . 5627 1 1132 . 1 1 105 105 GLU N N 15 116.40 0.1 . 1 . . . . . . . . 5627 1 1133 . 1 1 105 105 GLU H H 1 9.01 0.02 . 1 . . . . . . . . 5627 1 1134 . 1 1 105 105 GLU C C 13 180.57 0.2 . 1 . . . . . . . . 5627 1 1135 . 1 1 105 105 GLU CA C 13 60.11 0.2 . 1 . . . . . . . . 5627 1 1136 . 1 1 105 105 GLU CB C 13 29.15 0.2 . 1 . . . . . . . . 5627 1 1137 . 1 1 105 105 GLU HA H 1 3.62 0.02 . 1 . . . . . . . . 5627 1 1138 . 1 1 105 105 GLU HB2 H 1 1.86 0.02 . 1 . . . . . . . . 5627 1 1139 . 1 1 105 105 GLU HB3 H 1 1.86 0.02 . 1 . . . . . . . . 5627 1 1140 . 1 1 105 105 GLU HG2 H 1 2.16 0.02 . 2 . . . . . . . . 5627 1 1141 . 1 1 105 105 GLU HG3 H 1 2.31 0.02 . 2 . . . . . . . . 5627 1 1142 . 1 1 106 106 PHE N N 15 113.90 0.1 . 1 . . . . . . . . 5627 1 1143 . 1 1 106 106 PHE H H 1 6.75 0.02 . 1 . . . . . . . . 5627 1 1144 . 1 1 106 106 PHE C C 13 176.42 0.2 . 1 . . . . . . . . 5627 1 1145 . 1 1 106 106 PHE CA C 13 58.82 0.2 . 1 . . . . . . . . 5627 1 1146 . 1 1 106 106 PHE CB C 13 39.44 0.2 . 1 . . . . . . . . 5627 1 1147 . 1 1 106 106 PHE HA H 1 4.28 0.02 . 1 . . . . . . . . 5627 1 1148 . 1 1 106 106 PHE HB2 H 1 2.79 0.02 . 2 . . . . . . . . 5627 1 1149 . 1 1 106 106 PHE HB3 H 1 3.04 0.02 . 2 . . . . . . . . 5627 1 1150 . 1 1 106 106 PHE HD1 H 1 6.19 0.02 . 1 . . . . . . . . 5627 1 1151 . 1 1 106 106 PHE HD2 H 1 6.19 0.02 . 1 . . . . . . . . 5627 1 1152 . 1 1 106 106 PHE HE1 H 1 6.91 0.02 . 1 . . . . . . . . 5627 1 1153 . 1 1 106 106 PHE HE2 H 1 6.91 0.02 . 1 . . . . . . . . 5627 1 1154 . 1 1 106 106 PHE HZ H 1 7.22 0.02 . 1 . . . . . . . . 5627 1 1155 . 1 1 107 107 TYR N N 15 120.00 0.1 . 1 . . . . . . . . 5627 1 1156 . 1 1 107 107 TYR H H 1 8.47 0.02 . 1 . . . . . . . . 5627 1 1157 . 1 1 107 107 TYR C C 13 175.72 0.2 . 1 . . . . . . . . 5627 1 1158 . 1 1 107 107 TYR CA C 13 61.96 0.2 . 1 . . . . . . . . 5627 1 1159 . 1 1 107 107 TYR CB C 13 39.45 0.2 . 1 . . . . . . . . 5627 1 1160 . 1 1 107 107 TYR HA H 1 3.76 0.02 . 1 . . . . . . . . 5627 1 1161 . 1 1 107 107 TYR HB2 H 1 2.88 0.02 . 2 . . . . . . . . 5627 1 1162 . 1 1 107 107 TYR HB3 H 1 3.08 0.02 . 2 . . . . . . . . 5627 1 1163 . 1 1 107 107 TYR HD1 H 1 6.86 0.02 . 1 . . . . . . . . 5627 1 1164 . 1 1 107 107 TYR HD2 H 1 6.86 0.02 . 1 . . . . . . . . 5627 1 1165 . 1 1 107 107 TYR HE1 H 1 6.83 0.02 . 1 . . . . . . . . 5627 1 1166 . 1 1 107 107 TYR HE2 H 1 6.83 0.02 . 1 . . . . . . . . 5627 1 1167 . 1 1 108 108 GLU N N 15 118.50 0.1 . 1 . . . . . . . . 5627 1 1168 . 1 1 108 108 GLU C C 13 177.99 0.2 . 1 . . . . . . . . 5627 1 1169 . 1 1 108 108 GLU CA C 13 58.82 0.2 . 1 . . . . . . . . 5627 1 1170 . 1 1 108 108 GLU CB C 13 29.15 0.2 . 1 . . . . . . . . 5627 1 1171 . 1 1 108 108 GLU H H 1 8.63 0.02 . 1 . . . . . . . . 5627 1 1172 . 1 1 108 108 GLU HA H 1 3.55 0.02 . 1 . . . . . . . . 5627 1 1173 . 1 1 108 108 GLU HB2 H 1 1.12 0.02 . 2 . . . . . . . . 5627 1 1174 . 1 1 108 108 GLU HB3 H 1 1.39 0.02 . 2 . . . . . . . . 5627 1 1175 . 1 1 108 108 GLU HG2 H 1 1.78 0.02 . 1 . . . . . . . . 5627 1 1176 . 1 1 108 108 GLU HG3 H 1 1.78 0.02 . 1 . . . . . . . . 5627 1 1177 . 1 1 109 109 ALA N N 15 117.40 0.1 . 1 . . . . . . . . 5627 1 1178 . 1 1 109 109 ALA H H 1 6.85 0.02 . 1 . . . . . . . . 5627 1 1179 . 1 1 109 109 ALA C C 13 179.93 0.2 . 1 . . . . . . . . 5627 1 1180 . 1 1 109 109 ALA CA C 13 54.47 0.2 . 1 . . . . . . . . 5627 1 1181 . 1 1 109 109 ALA CB C 13 19.80 0.2 . 1 . . . . . . . . 5627 1 1182 . 1 1 109 109 ALA HA H 1 4.14 0.02 . 1 . . . . . . . . 5627 1 1183 . 1 1 109 109 ALA HB1 H 1 1.69 0.02 . 1 . . . . . . . . 5627 1 1184 . 1 1 109 109 ALA HB2 H 1 1.69 0.02 . 1 . . . . . . . . 5627 1 1185 . 1 1 109 109 ALA HB3 H 1 1.69 0.02 . 1 . . . . . . . . 5627 1 1186 . 1 1 110 110 ILE N N 15 117.10 0.1 . 1 . . . . . . . . 5627 1 1187 . 1 1 110 110 ILE H H 1 8.35 0.02 . 1 . . . . . . . . 5627 1 1188 . 1 1 110 110 ILE C C 13 178.29 0.2 . 1 . . . . . . . . 5627 1 1189 . 1 1 110 110 ILE CA C 13 65.76 0.2 . 1 . . . . . . . . 5627 1 1190 . 1 1 110 110 ILE CB C 13 37.89 0.2 . 1 . . . . . . . . 5627 1 1191 . 1 1 110 110 ILE HA H 1 3.48 0.02 . 1 . . . . . . . . 5627 1 1192 . 1 1 110 110 ILE HB H 1 2.16 0.02 . 1 . . . . . . . . 5627 1 1193 . 1 1 110 110 ILE HG21 H 1 0.78 0.02 . 1 . . . . . . . . 5627 1 1194 . 1 1 110 110 ILE HG22 H 1 0.78 0.02 . 1 . . . . . . . . 5627 1 1195 . 1 1 110 110 ILE HG23 H 1 0.78 0.02 . 1 . . . . . . . . 5627 1 1196 . 1 1 110 110 ILE HG12 H 1 1.51 0.02 . 1 . . . . . . . . 5627 1 1197 . 1 1 110 110 ILE HG13 H 1 1.51 0.02 . 1 . . . . . . . . 5627 1 1198 . 1 1 110 110 ILE HD11 H 1 0.61 0.02 . 1 . . . . . . . . 5627 1 1199 . 1 1 110 110 ILE HD12 H 1 0.61 0.02 . 1 . . . . . . . . 5627 1 1200 . 1 1 110 110 ILE HD13 H 1 0.61 0.02 . 1 . . . . . . . . 5627 1 1201 . 1 1 110 110 ILE CD1 C 13 13.40 0.2 . 1 . . . . . . . . 5627 1 1202 . 1 1 111 111 ARG N N 15 117.90 0.1 . 1 . . . . . . . . 5627 1 1203 . 1 1 111 111 ARG H H 1 8.30 0.02 . 1 . . . . . . . . 5627 1 1204 . 1 1 111 111 ARG C C 13 177.20 0.2 . 1 . . . . . . . . 5627 1 1205 . 1 1 111 111 ARG CA C 13 59.18 0.2 . 1 . . . . . . . . 5627 1 1206 . 1 1 111 111 ARG CB C 13 29.03 0.2 . 1 . . . . . . . . 5627 1 1207 . 1 1 111 111 ARG HA H 1 3.83 0.02 . 1 . . . . . . . . 5627 1 1208 . 1 1 111 111 ARG HB2 H 1 1.53 0.02 . 1 . . . . . . . . 5627 1 1209 . 1 1 111 111 ARG HB3 H 1 1.53 0.02 . 1 . . . . . . . . 5627 1 1210 . 1 1 111 111 ARG HG2 H 1 1.25 0.02 . 1 . . . . . . . . 5627 1 1211 . 1 1 111 111 ARG HG3 H 1 1.25 0.02 . 1 . . . . . . . . 5627 1 1212 . 1 1 111 111 ARG HD2 H 1 2.44 0.02 . 1 . . . . . . . . 5627 1 1213 . 1 1 111 111 ARG HD3 H 1 2.44 0.02 . 1 . . . . . . . . 5627 1 1214 . 1 1 112 112 LYS N N 15 116.40 0.1 . 1 . . . . . . . . 5627 1 1215 . 1 1 112 112 LYS H H 1 6.66 0.02 . 1 . . . . . . . . 5627 1 1216 . 1 1 112 112 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . 5627 1 1217 . 1 1 112 112 LYS C C 13 176.71 0.2 . 1 . . . . . . . . 5627 1 1218 . 1 1 112 112 LYS CA C 13 56.94 0.2 . 1 . . . . . . . . 5627 1 1219 . 1 1 112 112 LYS CB C 13 32.92 0.2 . 1 . . . . . . . . 5627 1 1220 . 1 1 112 112 LYS HB2 H 1 1.77 0.02 . 1 . . . . . . . . 5627 1 1221 . 1 1 112 112 LYS HB3 H 1 1.77 0.02 . 1 . . . . . . . . 5627 1 1222 . 1 1 112 112 LYS HG2 H 1 1.94 0.02 . 1 . . . . . . . . 5627 1 1223 . 1 1 112 112 LYS HG3 H 1 1.94 0.02 . 1 . . . . . . . . 5627 1 1224 . 1 1 112 112 LYS HE2 H 1 2.93 0.02 . 1 . . . . . . . . 5627 1 1225 . 1 1 112 112 LYS HE3 H 1 2.93 0.02 . 1 . . . . . . . . 5627 1 1226 . 1 1 113 113 ASN N N 15 119.80 0.1 . 1 . . . . . . . . 5627 1 1227 . 1 1 113 113 ASN H H 1 8.02 0.02 . 1 . . . . . . . . 5627 1 1228 . 1 1 113 113 ASN C C 13 173.76 0.2 . 1 . . . . . . . . 5627 1 1229 . 1 1 113 113 ASN CA C 13 53.29 0.2 . 1 . . . . . . . . 5627 1 1230 . 1 1 113 113 ASN CB C 13 42.25 0.2 . 1 . . . . . . . . 5627 1 1231 . 1 1 113 113 ASN HA H 1 4.97 0.02 . 1 . . . . . . . . 5627 1 1232 . 1 1 113 113 ASN HB2 H 1 2.46 0.02 . 2 . . . . . . . . 5627 1 1233 . 1 1 113 113 ASN HB3 H 1 3.00 0.02 . 2 . . . . . . . . 5627 1 1234 . 1 1 114 114 ILE N N 15 122.00 0.1 . 1 . . . . . . . . 5627 1 1235 . 1 1 114 114 ILE H H 1 7.44 0.02 . 1 . . . . . . . . 5627 1 1236 . 1 1 114 114 ILE C C 13 174.78 0.2 . 1 . . . . . . . . 5627 1 1237 . 1 1 114 114 ILE CA C 13 63.85 0.2 . 1 . . . . . . . . 5627 1 1238 . 1 1 114 114 ILE CB C 13 39.53 0.2 . 1 . . . . . . . . 5627 1 1239 . 1 1 114 114 ILE HA H 1 3.98 0.02 . 1 . . . . . . . . 5627 1 1240 . 1 1 114 114 ILE HB H 1 2.00 0.02 . 1 . . . . . . . . 5627 1 1241 . 1 1 114 114 ILE HG21 H 1 0.90 0.02 . 1 . . . . . . . . 5627 1 1242 . 1 1 114 114 ILE HG22 H 1 0.90 0.02 . 1 . . . . . . . . 5627 1 1243 . 1 1 114 114 ILE HG23 H 1 0.90 0.02 . 1 . . . . . . . . 5627 1 1244 . 1 1 114 114 ILE HG12 H 1 1.75 0.02 . 1 . . . . . . . . 5627 1 1245 . 1 1 114 114 ILE HG13 H 1 1.75 0.02 . 1 . . . . . . . . 5627 1 1246 . 1 1 114 114 ILE HD11 H 1 0.86 0.02 . 1 . . . . . . . . 5627 1 1247 . 1 1 114 114 ILE HD12 H 1 0.86 0.02 . 1 . . . . . . . . 5627 1 1248 . 1 1 114 114 ILE HD13 H 1 0.86 0.02 . 1 . . . . . . . . 5627 1 1249 . 1 1 114 114 ILE CD1 C 13 14.20 0.2 . 1 . . . . . . . . 5627 1 1250 . 1 1 115 115 LEU N N 15 130.00 0.1 . 1 . . . . . . . . 5627 1 1251 . 1 1 115 115 LEU H H 1 8.54 0.02 . 1 . . . . . . . . 5627 1 1252 . 1 1 115 115 LEU C C 13 174.94 0.2 . 1 . . . . . . . . 5627 1 1253 . 1 1 115 115 LEU CA C 13 53.54 0.2 . 1 . . . . . . . . 5627 1 1254 . 1 1 115 115 LEU CB C 13 44.89 0.2 . 1 . . . . . . . . 5627 1 1255 . 1 1 115 115 LEU HA H 1 4.64 0.02 . 1 . . . . . . . . 5627 1 1256 . 1 1 115 115 LEU HB2 H 1 1.51 0.02 . 2 . . . . . . . . 5627 1 1257 . 1 1 115 115 LEU HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5627 1 1258 . 1 1 115 115 LEU HG H 1 1.31 0.02 . 1 . . . . . . . . 5627 1 1259 . 1 1 115 115 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 5627 1 1260 . 1 1 115 115 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 5627 1 1261 . 1 1 115 115 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 5627 1 1262 . 1 1 115 115 LEU HD21 H 1 0.78 0.02 . 2 . . . . . . . . 5627 1 1263 . 1 1 115 115 LEU HD22 H 1 0.78 0.02 . 2 . . . . . . . . 5627 1 1264 . 1 1 115 115 LEU HD23 H 1 0.78 0.02 . 2 . . . . . . . . 5627 1 1265 . 1 1 115 115 LEU CD1 C 13 23.70 0.2 . 1 . . . . . . . . 5627 1 1266 . 1 1 115 115 LEU CD2 C 13 25.70 0.2 . 1 . . . . . . . . 5627 1 1267 . 1 1 116 116 ASN N N 15 126.40 0.1 . 1 . . . . . . . . 5627 1 1268 . 1 1 116 116 ASN H H 1 8.62 0.02 . 1 . . . . . . . . 5627 1 1269 . 1 1 116 116 ASN C C 13 175.48 0.2 . 1 . . . . . . . . 5627 1 1270 . 1 1 116 116 ASN CA C 13 54.47 0.2 . 1 . . . . . . . . 5627 1 1271 . 1 1 116 116 ASN CB C 13 39.67 0.2 . 1 . . . . . . . . 5627 1 1272 . 1 1 116 116 ASN HA H 1 4.77 0.02 . 1 . . . . . . . . 5627 1 1273 . 1 1 116 116 ASN HB2 H 1 2.65 0.02 . 2 . . . . . . . . 5627 1 1274 . 1 1 116 116 ASN HB3 H 1 2.76 0.02 . 2 . . . . . . . . 5627 1 1275 . 1 1 117 117 GLN N N 15 122.90 0.1 . 1 . . . . . . . . 5627 1 1276 . 1 1 117 117 GLN H H 1 8.98 0.02 . 1 . . . . . . . . 5627 1 1277 . 1 1 117 117 GLN C C 13 174.68 0.2 . 1 . . . . . . . . 5627 1 1278 . 1 1 117 117 GLN CA C 13 55.07 0.2 . 1 . . . . . . . . 5627 1 1279 . 1 1 117 117 GLN CB C 13 29.62 0.2 . 1 . . . . . . . . 5627 1 1280 . 1 1 117 117 GLN HA H 1 4.43 0.02 . 1 . . . . . . . . 5627 1 1281 . 1 1 117 117 GLN HB2 H 1 1.79 0.02 . 2 . . . . . . . . 5627 1 1282 . 1 1 117 117 GLN HB3 H 1 1.59 0.02 . 2 . . . . . . . . 5627 1 1283 . 1 1 117 117 GLN HG2 H 1 2.13 0.02 . 2 . . . . . . . . 5627 1 1284 . 1 1 117 117 GLN HG3 H 1 2.32 0.02 . 2 . . . . . . . . 5627 1 1285 . 1 1 118 118 ASN N N 15 116.60 0.1 . 1 . . . . . . . . 5627 1 1286 . 1 1 118 118 ASN H H 1 8.57 0.02 . 1 . . . . . . . . 5627 1 1287 . 1 1 118 118 ASN C C 13 174.85 0.2 . 1 . . . . . . . . 5627 1 1288 . 1 1 118 118 ASN CA C 13 53.89 0.2 . 1 . . . . . . . . 5627 1 1289 . 1 1 118 118 ASN CB C 13 39.68 0.2 . 1 . . . . . . . . 5627 1 1290 . 1 1 118 118 ASN HA H 1 4.92 0.02 . 1 . . . . . . . . 5627 1 1291 . 1 1 118 118 ASN HB2 H 1 2.69 0.02 . 2 . . . . . . . . 5627 1 1292 . 1 1 118 118 ASN HB3 H 1 2.86 0.02 . 2 . . . . . . . . 5627 1 1293 . 1 1 119 119 ARG N N 15 119.30 0.1 . 1 . . . . . . . . 5627 1 1294 . 1 1 119 119 ARG H H 1 7.31 0.02 . 1 . . . . . . . . 5627 1 1295 . 1 1 119 119 ARG C C 13 174.31 0.2 . 1 . . . . . . . . 5627 1 1296 . 1 1 119 119 ARG CA C 13 55.31 0.2 . 1 . . . . . . . . 5627 1 1297 . 1 1 119 119 ARG CB C 13 33.26 0.2 . 1 . . . . . . . . 5627 1 1298 . 1 1 119 119 ARG HA H 1 4.41 0.02 . 1 . . . . . . . . 5627 1 1299 . 1 1 119 119 ARG HB2 H 1 1.48 0.02 . 2 . . . . . . . . 5627 1 1300 . 1 1 119 119 ARG HB3 H 1 1.60 0.02 . 2 . . . . . . . . 5627 1 1301 . 1 1 119 119 ARG HG2 H 1 1.69 0.02 . 1 . . . . . . . . 5627 1 1302 . 1 1 119 119 ARG HG3 H 1 1.69 0.02 . 1 . . . . . . . . 5627 1 1303 . 1 1 119 119 ARG HD2 H 1 3.88 0.02 . 1 . . . . . . . . 5627 1 1304 . 1 1 119 119 ARG HD3 H 1 3.88 0.02 . 1 . . . . . . . . 5627 1 1305 . 1 1 120 120 GLU N N 15 125.60 0.1 . 1 . . . . . . . . 5627 1 1306 . 1 1 120 120 GLU H H 1 8.58 0.02 . 1 . . . . . . . . 5627 1 1307 . 1 1 120 120 GLU C C 13 176.42 0.2 . 1 . . . . . . . . 5627 1 1308 . 1 1 120 120 GLU CA C 13 57.04 0.2 . 1 . . . . . . . . 5627 1 1309 . 1 1 120 120 GLU CB C 13 30.33 0.2 . 1 . . . . . . . . 5627 1 1310 . 1 1 120 120 GLU HA H 1 4.47 0.02 . 1 . . . . . . . . 5627 1 1311 . 1 1 120 120 GLU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5627 1 1312 . 1 1 120 120 GLU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5627 1 1313 . 1 1 120 120 GLU HG2 H 1 2.22 0.02 . 1 . . . . . . . . 5627 1 1314 . 1 1 120 120 GLU HG3 H 1 2.22 0.02 . 1 . . . . . . . . 5627 1 1315 . 1 1 121 121 ILE N N 15 123.20 0.1 . 1 . . . . . . . . 5627 1 1316 . 1 1 121 121 ILE H H 1 8.30 0.02 . 1 . . . . . . . . 5627 1 1317 . 1 1 121 121 ILE C C 13 176.11 0.2 . 1 . . . . . . . . 5627 1 1318 . 1 1 121 121 ILE CA C 13 62.44 0.2 . 1 . . . . . . . . 5627 1 1319 . 1 1 121 121 ILE CB C 13 40.41 0.2 . 1 . . . . . . . . 5627 1 1320 . 1 1 121 121 ILE HA H 1 3.72 0.02 . 1 . . . . . . . . 5627 1 1321 . 1 1 121 121 ILE HB H 1 1.03 0.02 . 1 . . . . . . . . 5627 1 1322 . 1 1 121 121 ILE HG21 H 1 -0.11 0.02 . 1 . . . . . . . . 5627 1 1323 . 1 1 121 121 ILE HG22 H 1 -0.11 0.02 . 1 . . . . . . . . 5627 1 1324 . 1 1 121 121 ILE HG23 H 1 -0.11 0.02 . 1 . . . . . . . . 5627 1 1325 . 1 1 121 121 ILE CG2 C 13 15.50 0.2 . 1 . . . . . . . . 5627 1 1326 . 1 1 121 121 ILE HG12 H 1 1.42 0.02 . 2 . . . . . . . . 5627 1 1327 . 1 1 121 121 ILE HG13 H 1 1.55 0.02 . 2 . . . . . . . . 5627 1 1328 . 1 1 121 121 ILE HD11 H 1 0.71 0.02 . 1 . . . . . . . . 5627 1 1329 . 1 1 121 121 ILE HD12 H 1 0.71 0.02 . 1 . . . . . . . . 5627 1 1330 . 1 1 121 121 ILE HD13 H 1 0.71 0.02 . 1 . . . . . . . . 5627 1 1331 . 1 1 121 121 ILE CD1 C 13 14.70 0.2 . 1 . . . . . . . . 5627 1 1332 . 1 1 122 122 ASP N N 15 128.30 0.1 . 1 . . . . . . . . 5627 1 1333 . 1 1 122 122 ASP H H 1 8.45 0.02 . 1 . . . . . . . . 5627 1 1334 . 1 1 122 122 ASP C C 13 174.93 0.2 . 1 . . . . . . . . 5627 1 1335 . 1 1 122 122 ASP CA C 13 52.54 0.2 . 1 . . . . . . . . 5627 1 1336 . 1 1 122 122 ASP CB C 13 40.81 0.2 . 1 . . . . . . . . 5627 1 1337 . 1 1 122 122 ASP HA H 1 4.86 0.02 . 1 . . . . . . . . 5627 1 1338 . 1 1 122 122 ASP HB2 H 1 2.52 0.02 . 2 . . . . . . . . 5627 1 1339 . 1 1 122 122 ASP HB3 H 1 2.69 0.02 . 2 . . . . . . . . 5627 1 1340 . 1 1 123 123 TYR N N 15 122.70 0.1 . 1 . . . . . . . . 5627 1 1341 . 1 1 123 123 TYR H H 1 7.74 0.02 . 1 . . . . . . . . 5627 1 1342 . 1 1 123 123 TYR C C 13 176.34 0.2 . 1 . . . . . . . . 5627 1 1343 . 1 1 123 123 TYR CA C 13 59.98 0.2 . 1 . . . . . . . . 5627 1 1344 . 1 1 123 123 TYR CB C 13 38.97 0.2 . 1 . . . . . . . . 5627 1 1345 . 1 1 123 123 TYR HA H 1 4.25 0.02 . 1 . . . . . . . . 5627 1 1346 . 1 1 123 123 TYR HB2 H 1 2.55 0.02 . 2 . . . . . . . . 5627 1 1347 . 1 1 123 123 TYR HB3 H 1 2.79 0.02 . 2 . . . . . . . . 5627 1 1348 . 1 1 123 123 TYR HD1 H 1 7.12 0.02 . 1 . . . . . . . . 5627 1 1349 . 1 1 123 123 TYR HD2 H 1 7.12 0.02 . 1 . . . . . . . . 5627 1 1350 . 1 1 123 123 TYR HE1 H 1 6.90 0.02 . 1 . . . . . . . . 5627 1 1351 . 1 1 123 123 TYR HE2 H 1 6.90 0.02 . 1 . . . . . . . . 5627 1 1352 . 1 1 124 124 PHE N N 15 124.40 0.1 . 1 . . . . . . . . 5627 1 1353 . 1 1 124 124 PHE H H 1 9.29 0.02 . 1 . . . . . . . . 5627 1 1354 . 1 1 124 124 PHE C C 13 174.08 0.2 . 1 . . . . . . . . 5627 1 1355 . 1 1 124 124 PHE CA C 13 58.57 0.2 . 1 . . . . . . . . 5627 1 1356 . 1 1 124 124 PHE CB C 13 39.10 0.2 . 1 . . . . . . . . 5627 1 1357 . 1 1 124 124 PHE HA H 1 4.42 0.02 . 1 . . . . . . . . 5627 1 1358 . 1 1 124 124 PHE HB2 H 1 2.73 0.02 . 2 . . . . . . . . 5627 1 1359 . 1 1 124 124 PHE HB3 H 1 3.27 0.02 . 2 . . . . . . . . 5627 1 1360 . 1 1 124 124 PHE HD1 H 1 7.20 0.02 . 1 . . . . . . . . 5627 1 1361 . 1 1 124 124 PHE HD2 H 1 7.20 0.02 . 1 . . . . . . . . 5627 1 1362 . 1 1 124 124 PHE HE1 H 1 7.11 0.02 . 1 . . . . . . . . 5627 1 1363 . 1 1 124 124 PHE HE2 H 1 7.11 0.02 . 1 . . . . . . . . 5627 1 1364 . 1 1 124 124 PHE HZ H 1 7.21 0.02 . 1 . . . . . . . . 5627 1 1365 . 1 1 125 125 VAL N N 15 128.60 0.1 . 1 . . . . . . . . 5627 1 1366 . 1 1 125 125 VAL H H 1 7.78 0.02 . 1 . . . . . . . . 5627 1 1367 . 1 1 125 125 VAL C C 13 175.72 0.2 . 1 . . . . . . . . 5627 1 1368 . 1 1 125 125 VAL CA C 13 60.57 0.2 . 1 . . . . . . . . 5627 1 1369 . 1 1 125 125 VAL CB C 13 33.62 0.2 . 1 . . . . . . . . 5627 1 1370 . 1 1 125 125 VAL HA H 1 4.73 0.02 . 1 . . . . . . . . 5627 1 1371 . 1 1 125 125 VAL HB H 1 1.89 0.02 . 1 . . . . . . . . 5627 1 1372 . 1 1 125 125 VAL HG11 H 1 0.79 0.02 . 2 . . . . . . . . 5627 1 1373 . 1 1 125 125 VAL HG12 H 1 0.79 0.02 . 2 . . . . . . . . 5627 1 1374 . 1 1 125 125 VAL HG13 H 1 0.79 0.02 . 2 . . . . . . . . 5627 1 1375 . 1 1 125 125 VAL HG21 H 1 0.82 0.02 . 2 . . . . . . . . 5627 1 1376 . 1 1 125 125 VAL HG22 H 1 0.82 0.02 . 2 . . . . . . . . 5627 1 1377 . 1 1 125 125 VAL HG23 H 1 0.82 0.02 . 2 . . . . . . . . 5627 1 1378 . 1 1 125 125 VAL CG1 C 13 20.60 0.2 . 1 . . . . . . . . 5627 1 1379 . 1 1 125 125 VAL CG2 C 13 21.20 0.2 . 1 . . . . . . . . 5627 1 1380 . 1 1 126 126 VAL N N 15 126.60 0.1 . 1 . . . . . . . . 5627 1 1381 . 1 1 126 126 VAL H H 1 8.01 0.02 . 1 . . . . . . . . 5627 1 1382 . 1 1 126 126 VAL C C 13 176.50 0.2 . 1 . . . . . . . . 5627 1 1383 . 1 1 126 126 VAL CA C 13 64.31 0.2 . 1 . . . . . . . . 5627 1 1384 . 1 1 126 126 VAL CB C 13 32.43 0.2 . 1 . . . . . . . . 5627 1 1385 . 1 1 126 126 VAL HA H 1 3.78 0.02 . 1 . . . . . . . . 5627 1 1386 . 1 1 126 126 VAL HB H 1 1.90 0.02 . 1 . . . . . . . . 5627 1 1387 . 1 1 126 126 VAL HG11 H 1 0.56 0.02 . 2 . . . . . . . . 5627 1 1388 . 1 1 126 126 VAL HG12 H 1 0.56 0.02 . 2 . . . . . . . . 5627 1 1389 . 1 1 126 126 VAL HG13 H 1 0.56 0.02 . 2 . . . . . . . . 5627 1 1390 . 1 1 126 126 VAL HG21 H 1 1.09 0.02 . 2 . . . . . . . . 5627 1 1391 . 1 1 126 126 VAL HG22 H 1 1.09 0.02 . 2 . . . . . . . . 5627 1 1392 . 1 1 126 126 VAL HG23 H 1 1.09 0.02 . 2 . . . . . . . . 5627 1 1393 . 1 1 126 126 VAL CG1 C 13 21.00 0.2 . 1 . . . . . . . . 5627 1 1394 . 1 1 126 126 VAL CG2 C 13 22.70 0.2 . 1 . . . . . . . . 5627 1 1395 . 1 1 127 127 GLU N N 15 127.80 0.1 . 1 . . . . . . . . 5627 1 1396 . 1 1 127 127 GLU H H 1 8.68 0.02 . 1 . . . . . . . . 5627 1 1397 . 1 1 127 127 GLU C C 13 175.76 0.2 . 1 . . . . . . . . 5627 1 1398 . 1 1 127 127 GLU CA C 13 57.64 0.2 . 1 . . . . . . . . 5627 1 1399 . 1 1 127 127 GLU CB C 13 31.96 0.2 . 1 . . . . . . . . 5627 1 1400 . 1 1 127 127 GLU HA H 1 4.32 0.02 . 1 . . . . . . . . 5627 1 1401 . 1 1 127 127 GLU HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5627 1 1402 . 1 1 127 127 GLU HB3 H 1 2.09 0.02 . 2 . . . . . . . . 5627 1 1403 . 1 1 127 127 GLU HG2 H 1 2.30 0.02 . 1 . . . . . . . . 5627 1 1404 . 1 1 127 127 GLU HG3 H 1 2.30 0.02 . 1 . . . . . . . . 5627 1 1405 . 1 1 128 128 GLU N N 15 118.30 0.1 . 1 . . . . . . . . 5627 1 1406 . 1 1 128 128 GLU H H 1 7.57 0.02 . 1 . . . . . . . . 5627 1 1407 . 1 1 128 128 GLU C C 13 176.57 0.2 . 1 . . . . . . . . 5627 1 1408 . 1 1 128 128 GLU CA C 13 53.18 0.2 . 1 . . . . . . . . 5627 1 1409 . 1 1 128 128 GLU CB C 13 31.95 0.2 . 1 . . . . . . . . 5627 1 1410 . 1 1 128 128 GLU HA H 1 4.76 0.02 . 1 . . . . . . . . 5627 1 1411 . 1 1 128 128 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5627 1 1412 . 1 1 128 128 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 5627 1 1413 . 1 1 128 128 GLU HG2 H 1 2.19 0.02 . 1 . . . . . . . . 5627 1 1414 . 1 1 128 128 GLU HG3 H 1 2.19 0.02 . 1 . . . . . . . . 5627 1 1415 . 1 1 129 129 PRO C C 13 176.57 0.2 . 1 . . . . . . . . 5627 1 1416 . 1 1 129 129 PRO CA C 13 62.55 0.2 . 1 . . . . . . . . 5627 1 1417 . 1 1 129 129 PRO CB C 13 31.46 0.2 . 1 . . . . . . . . 5627 1 1418 . 1 1 129 129 PRO HA H 1 5.14 0.02 . 1 . . . . . . . . 5627 1 1419 . 1 1 129 129 PRO HB2 H 1 2.25 0.02 . 1 . . . . . . . . 5627 1 1420 . 1 1 129 129 PRO HB3 H 1 2.25 0.02 . 1 . . . . . . . . 5627 1 1421 . 1 1 129 129 PRO HG2 H 1 1.94 0.02 . 1 . . . . . . . . 5627 1 1422 . 1 1 129 129 PRO HG3 H 1 1.94 0.02 . 1 . . . . . . . . 5627 1 1423 . 1 1 129 129 PRO HD2 H 1 3.72 0.02 . 1 . . . . . . . . 5627 1 1424 . 1 1 129 129 PRO HD3 H 1 3.72 0.02 . 1 . . . . . . . . 5627 1 1425 . 1 1 130 130 ILE N N 15 121.50 0.1 . 1 . . . . . . . . 5627 1 1426 . 1 1 130 130 ILE H H 1 8.60 0.02 . 1 . . . . . . . . 5627 1 1427 . 1 1 130 130 ILE C C 13 172.91 0.2 . 1 . . . . . . . . 5627 1 1428 . 1 1 130 130 ILE CA C 13 60.10 0.2 . 1 . . . . . . . . 5627 1 1429 . 1 1 130 130 ILE CB C 13 42.35 0.2 . 1 . . . . . . . . 5627 1 1430 . 1 1 130 130 ILE HA H 1 4.54 0.02 . 1 . . . . . . . . 5627 1 1431 . 1 1 130 130 ILE HB H 1 1.79 0.02 . 1 . . . . . . . . 5627 1 1432 . 1 1 130 130 ILE HG21 H 1 1.16 0.02 . 1 . . . . . . . . 5627 1 1433 . 1 1 130 130 ILE HG22 H 1 1.16 0.02 . 1 . . . . . . . . 5627 1 1434 . 1 1 130 130 ILE HG23 H 1 1.16 0.02 . 1 . . . . . . . . 5627 1 1435 . 1 1 130 130 ILE HG12 H 1 1.58 0.02 . 1 . . . . . . . . 5627 1 1436 . 1 1 130 130 ILE HG13 H 1 1.58 0.02 . 1 . . . . . . . . 5627 1 1437 . 1 1 130 130 ILE HD11 H 1 0.84 0.02 . 1 . . . . . . . . 5627 1 1438 . 1 1 130 130 ILE HD12 H 1 0.84 0.02 . 1 . . . . . . . . 5627 1 1439 . 1 1 130 130 ILE HD13 H 1 0.84 0.02 . 1 . . . . . . . . 5627 1 1440 . 1 1 130 130 ILE CD1 C 13 13.70 0.2 . 1 . . . . . . . . 5627 1 1441 . 1 1 131 131 ILE N N 15 124.90 0.1 . 1 . . . . . . . . 5627 1 1442 . 1 1 131 131 ILE H H 1 8.09 0.02 . 1 . . . . . . . . 5627 1 1443 . 1 1 131 131 ILE C C 13 175.49 0.2 . 1 . . . . . . . . 5627 1 1444 . 1 1 131 131 ILE CA C 13 60.21 0.2 . 1 . . . . . . . . 5627 1 1445 . 1 1 131 131 ILE CB C 13 41.89 0.2 . 1 . . . . . . . . 5627 1 1446 . 1 1 131 131 ILE HA H 1 5.11 0.02 . 1 . . . . . . . . 5627 1 1447 . 1 1 131 131 ILE HB H 1 1.72 0.02 . 1 . . . . . . . . 5627 1 1448 . 1 1 131 131 ILE HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5627 1 1449 . 1 1 131 131 ILE HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5627 1 1450 . 1 1 131 131 ILE HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5627 1 1451 . 1 1 131 131 ILE CG2 C 13 17.30 0.2 . 1 . . . . . . . . 5627 1 1452 . 1 1 131 131 ILE HG12 H 1 1.62 0.02 . 1 . . . . . . . . 5627 1 1453 . 1 1 131 131 ILE HG13 H 1 1.62 0.02 . 1 . . . . . . . . 5627 1 1454 . 1 1 131 131 ILE HD11 H 1 0.86 0.02 . 1 . . . . . . . . 5627 1 1455 . 1 1 131 131 ILE HD12 H 1 0.86 0.02 . 1 . . . . . . . . 5627 1 1456 . 1 1 131 131 ILE HD13 H 1 0.86 0.02 . 1 . . . . . . . . 5627 1 1457 . 1 1 131 131 ILE CD1 C 13 14.00 0.2 . 1 . . . . . . . . 5627 1 1458 . 1 1 132 132 VAL N N 15 124.70 0.1 . 1 . . . . . . . . 5627 1 1459 . 1 1 132 132 VAL H H 1 9.02 0.02 . 1 . . . . . . . . 5627 1 1460 . 1 1 132 132 VAL C C 13 173.61 0.2 . 1 . . . . . . . . 5627 1 1461 . 1 1 132 132 VAL CA C 13 60.92 0.2 . 1 . . . . . . . . 5627 1 1462 . 1 1 132 132 VAL CB C 13 34.55 0.2 . 1 . . . . . . . . 5627 1 1463 . 1 1 132 132 VAL HA H 1 4.51 0.02 . 1 . . . . . . . . 5627 1 1464 . 1 1 132 132 VAL HB H 1 1.97 0.02 . 1 . . . . . . . . 5627 1 1465 . 1 1 132 132 VAL HG11 H 1 0.86 0.02 . 2 . . . . . . . . 5627 1 1466 . 1 1 132 132 VAL HG12 H 1 0.86 0.02 . 2 . . . . . . . . 5627 1 1467 . 1 1 132 132 VAL HG13 H 1 0.86 0.02 . 2 . . . . . . . . 5627 1 1468 . 1 1 132 132 VAL HG21 H 1 0.88 0.02 . 2 . . . . . . . . 5627 1 1469 . 1 1 132 132 VAL HG22 H 1 0.88 0.02 . 2 . . . . . . . . 5627 1 1470 . 1 1 132 132 VAL HG23 H 1 0.88 0.02 . 2 . . . . . . . . 5627 1 1471 . 1 1 132 132 VAL CG1 C 13 21.70 0.2 . 1 . . . . . . . . 5627 1 1472 . 1 1 132 132 VAL CG2 C 13 20.90 0.2 . 1 . . . . . . . . 5627 1 1473 . 1 1 133 133 GLU N N 15 123.90 0.1 . 1 . . . . . . . . 5627 1 1474 . 1 1 133 133 GLU H H 1 8.42 0.02 . 1 . . . . . . . . 5627 1 1475 . 1 1 133 133 GLU CA C 13 54.95 0.2 . 1 . . . . . . . . 5627 1 1476 . 1 1 133 133 GLU CB C 13 34.03 0.2 . 1 . . . . . . . . 5627 1 1477 . 1 1 133 133 GLU HA H 1 5.17 0.02 . 1 . . . . . . . . 5627 1 1478 . 1 1 133 133 GLU HB2 H 1 1.91 0.02 . 2 . . . . . . . . 5627 1 1479 . 1 1 133 133 GLU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5627 1 1480 . 1 1 133 133 GLU HG2 H 1 2.18 0.02 . 1 . . . . . . . . 5627 1 1481 . 1 1 133 133 GLU HG3 H 1 2.18 0.02 . 1 . . . . . . . . 5627 1 1482 . 1 1 134 134 ASP N N 15 122.20 0.1 . 1 . . . . . . . . 5627 1 1483 . 1 1 134 134 ASP H H 1 8.49 0.02 . 1 . . . . . . . . 5627 1 1484 . 1 1 134 134 ASP C C 13 175.39 0.2 . 1 . . . . . . . . 5627 1 1485 . 1 1 134 134 ASP CA C 13 54.53 0.2 . 1 . . . . . . . . 5627 1 1486 . 1 1 134 134 ASP CB C 13 44.44 0.2 . 1 . . . . . . . . 5627 1 1487 . 1 1 134 134 ASP HA H 1 4.68 0.02 . 1 . . . . . . . . 5627 1 1488 . 1 1 134 134 ASP HB2 H 1 2.50 0.02 . 1 . . . . . . . . 5627 1 1489 . 1 1 134 134 ASP HB3 H 1 2.50 0.02 . 1 . . . . . . . . 5627 1 1490 . 1 1 135 135 GLU N N 15 124.70 0.1 . 1 . . . . . . . . 5627 1 1491 . 1 1 135 135 GLU H H 1 8.99 0.02 . 1 . . . . . . . . 5627 1 1492 . 1 1 135 135 GLU C C 13 176.34 0.2 . 1 . . . . . . . . 5627 1 1493 . 1 1 135 135 GLU CA C 13 57.45 0.2 . 1 . . . . . . . . 5627 1 1494 . 1 1 135 135 GLU CB C 13 28.67 0.2 . 1 . . . . . . . . 5627 1 1495 . 1 1 135 135 GLU HA H 1 3.94 0.02 . 1 . . . . . . . . 5627 1 1496 . 1 1 135 135 GLU HB2 H 1 2.16 0.02 . 1 . . . . . . . . 5627 1 1497 . 1 1 135 135 GLU HB3 H 1 2.16 0.02 . 1 . . . . . . . . 5627 1 1498 . 1 1 135 135 GLU HG2 H 1 1.95 0.02 . 1 . . . . . . . . 5627 1 1499 . 1 1 135 135 GLU HG3 H 1 1.95 0.02 . 1 . . . . . . . . 5627 1 1500 . 1 1 136 136 GLY N N 15 109.80 0.1 . 1 . . . . . . . . 5627 1 1501 . 1 1 136 136 GLY H H 1 8.75 0.02 . 1 . . . . . . . . 5627 1 1502 . 1 1 136 136 GLY C C 13 174.01 0.2 . 1 . . . . . . . . 5627 1 1503 . 1 1 136 136 GLY CA C 13 45.92 0.2 . 1 . . . . . . . . 5627 1 1504 . 1 1 136 136 GLY HA2 H 1 3.72 0.02 . 2 . . . . . . . . 5627 1 1505 . 1 1 136 136 GLY HA3 H 1 4.10 0.02 . 2 . . . . . . . . 5627 1 1506 . 1 1 137 137 ARG N N 15 120.10 0.1 . 1 . . . . . . . . 5627 1 1507 . 1 1 137 137 ARG H H 1 7.81 0.02 . 1 . . . . . . . . 5627 1 1508 . 1 1 137 137 ARG C C 13 175.29 0.2 . 1 . . . . . . . . 5627 1 1509 . 1 1 137 137 ARG CA C 13 54.72 0.2 . 1 . . . . . . . . 5627 1 1510 . 1 1 137 137 ARG CB C 13 32.33 0.2 . 1 . . . . . . . . 5627 1 1511 . 1 1 137 137 ARG HA H 1 4.78 0.02 . 1 . . . . . . . . 5627 1 1512 . 1 1 137 137 ARG HB2 H 1 1.75 0.02 . 1 . . . . . . . . 5627 1 1513 . 1 1 137 137 ARG HB3 H 1 1.75 0.02 . 1 . . . . . . . . 5627 1 1514 . 1 1 137 137 ARG HG2 H 1 1.56 0.02 . 1 . . . . . . . . 5627 1 1515 . 1 1 137 137 ARG HG3 H 1 1.56 0.02 . 1 . . . . . . . . 5627 1 1516 . 1 1 137 137 ARG HD2 H 1 3.15 0.02 . 1 . . . . . . . . 5627 1 1517 . 1 1 137 137 ARG HD3 H 1 3.15 0.02 . 1 . . . . . . . . 5627 1 1518 . 1 1 138 138 LEU N N 15 122.00 0.1 . 1 . . . . . . . . 5627 1 1519 . 1 1 138 138 LEU H H 1 8.51 0.02 . 1 . . . . . . . . 5627 1 1520 . 1 1 138 138 LEU C C 13 174.15 0.2 . 1 . . . . . . . . 5627 1 1521 . 1 1 138 138 LEU CA C 13 55.51 0.2 . 1 . . . . . . . . 5627 1 1522 . 1 1 138 138 LEU CB C 13 46.77 0.2 . 1 . . . . . . . . 5627 1 1523 . 1 1 138 138 LEU HA H 1 5.32 0.02 . 1 . . . . . . . . 5627 1 1524 . 1 1 138 138 LEU HB2 H 1 1.76 0.02 . 1 . . . . . . . . 5627 1 1525 . 1 1 138 138 LEU HB3 H 1 1.76 0.02 . 1 . . . . . . . . 5627 1 1526 . 1 1 138 138 LEU HG H 1 1.04 0.02 . 1 . . . . . . . . 5627 1 1527 . 1 1 138 138 LEU HD11 H 1 0.77 0.02 . 2 . . . . . . . . 5627 1 1528 . 1 1 138 138 LEU HD12 H 1 0.77 0.02 . 2 . . . . . . . . 5627 1 1529 . 1 1 138 138 LEU HD13 H 1 0.77 0.02 . 2 . . . . . . . . 5627 1 1530 . 1 1 138 138 LEU HD21 H 1 0.84 0.02 . 2 . . . . . . . . 5627 1 1531 . 1 1 138 138 LEU HD22 H 1 0.84 0.02 . 2 . . . . . . . . 5627 1 1532 . 1 1 138 138 LEU HD23 H 1 0.84 0.02 . 2 . . . . . . . . 5627 1 1533 . 1 1 139 139 ILE N N 15 122.20 0.1 . 1 . . . . . . . . 5627 1 1534 . 1 1 139 139 ILE H H 1 9.09 0.02 . 1 . . . . . . . . 5627 1 1535 . 1 1 139 139 ILE C C 13 172.64 0.2 . 1 . . . . . . . . 5627 1 1536 . 1 1 139 139 ILE CA C 13 60.45 0.2 . 1 . . . . . . . . 5627 1 1537 . 1 1 139 139 ILE CB C 13 42.12 0.2 . 1 . . . . . . . . 5627 1 1538 . 1 1 139 139 ILE HA H 1 5.59 0.02 . 1 . . . . . . . . 5627 1 1539 . 1 1 139 139 ILE HB H 1 1.75 0.02 . 1 . . . . . . . . 5627 1 1540 . 1 1 139 139 ILE HG21 H 1 0.90 0.02 . 1 . . . . . . . . 5627 1 1541 . 1 1 139 139 ILE HG22 H 1 0.90 0.02 . 1 . . . . . . . . 5627 1 1542 . 1 1 139 139 ILE HG23 H 1 0.90 0.02 . 1 . . . . . . . . 5627 1 1543 . 1 1 139 139 ILE HG12 H 1 1.30 0.02 . 1 . . . . . . . . 5627 1 1544 . 1 1 139 139 ILE HG13 H 1 1.30 0.02 . 1 . . . . . . . . 5627 1 1545 . 1 1 139 139 ILE HD11 H 1 0.99 0.02 . 1 . . . . . . . . 5627 1 1546 . 1 1 139 139 ILE HD12 H 1 0.99 0.02 . 1 . . . . . . . . 5627 1 1547 . 1 1 139 139 ILE HD13 H 1 0.99 0.02 . 1 . . . . . . . . 5627 1 1548 . 1 1 139 139 ILE CD1 C 13 15.40 0.2 . 1 . . . . . . . . 5627 1 1549 . 1 1 140 140 LYS N N 15 126.40 0.1 . 1 . . . . . . . . 5627 1 1550 . 1 1 140 140 LYS H H 1 9.39 0.02 . 1 . . . . . . . . 5627 1 1551 . 1 1 140 140 LYS C C 13 174.52 0.2 . 1 . . . . . . . . 5627 1 1552 . 1 1 140 140 LYS CA C 13 54.12 0.2 . 1 . . . . . . . . 5627 1 1553 . 1 1 140 140 LYS CB C 13 37.07 0.2 . 1 . . . . . . . . 5627 1 1554 . 1 1 140 140 LYS HA H 1 5.47 0.02 . 1 . . . . . . . . 5627 1 1555 . 1 1 140 140 LYS HB2 H 1 1.78 0.02 . 2 . . . . . . . . 5627 1 1556 . 1 1 140 140 LYS HB3 H 1 1.94 0.02 . 2 . . . . . . . . 5627 1 1557 . 1 1 140 140 LYS HG2 H 1 1.51 0.02 . 1 . . . . . . . . 5627 1 1558 . 1 1 140 140 LYS HG3 H 1 1.51 0.02 . 1 . . . . . . . . 5627 1 1559 . 1 1 141 141 ALA N N 15 126.40 0.1 . 1 . . . . . . . . 5627 1 1560 . 1 1 141 141 ALA H H 1 9.05 0.02 . 1 . . . . . . . . 5627 1 1561 . 1 1 141 141 ALA C C 13 175.63 0.2 . 1 . . . . . . . . 5627 1 1562 . 1 1 141 141 ALA CA C 13 49.69 0.2 . 1 . . . . . . . . 5627 1 1563 . 1 1 141 141 ALA CB C 13 24.63 0.2 . 1 . . . . . . . . 5627 1 1564 . 1 1 141 141 ALA HA H 1 5.14 0.02 . 1 . . . . . . . . 5627 1 1565 . 1 1 141 141 ALA HB1 H 1 1.22 0.02 . 1 . . . . . . . . 5627 1 1566 . 1 1 141 141 ALA HB2 H 1 1.22 0.02 . 1 . . . . . . . . 5627 1 1567 . 1 1 141 141 ALA HB3 H 1 1.22 0.02 . 1 . . . . . . . . 5627 1 1568 . 1 1 142 142 GLU N N 15 118.60 0.1 . 1 . . . . . . . . 5627 1 1569 . 1 1 142 142 GLU H H 1 8.72 0.02 . 1 . . . . . . . . 5627 1 1570 . 1 1 142 142 GLU C C 13 176.03 0.2 . 1 . . . . . . . . 5627 1 1571 . 1 1 142 142 GLU CA C 13 53.67 0.2 . 1 . . . . . . . . 5627 1 1572 . 1 1 142 142 GLU CB C 13 32.66 0.2 . 1 . . . . . . . . 5627 1 1573 . 1 1 142 142 GLU HA H 1 4.46 0.02 . 1 . . . . . . . . 5627 1 1574 . 1 1 142 142 GLU HB2 H 1 1.82 0.02 . 2 . . . . . . . . 5627 1 1575 . 1 1 142 142 GLU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5627 1 1576 . 1 1 142 142 GLU HG2 H 1 2.06 0.02 . 1 . . . . . . . . 5627 1 1577 . 1 1 142 142 GLU HG3 H 1 2.06 0.02 . 1 . . . . . . . . 5627 1 1578 . 1 1 143 143 PRO C C 13 176.03 0.2 . 1 . . . . . . . . 5627 1 1579 . 1 1 143 143 PRO CA C 13 63.61 0.2 . 1 . . . . . . . . 5627 1 1580 . 1 1 143 143 PRO CB C 13 31.47 0.2 . 1 . . . . . . . . 5627 1 1581 . 1 1 143 143 PRO HA H 1 4.31 0.02 . 1 . . . . . . . . 5627 1 1582 . 1 1 143 143 PRO HB2 H 1 2.29 0.02 . 1 . . . . . . . . 5627 1 1583 . 1 1 143 143 PRO HB3 H 1 2.29 0.02 . 1 . . . . . . . . 5627 1 1584 . 1 1 143 143 PRO HD2 H 1 3.63 0.02 . 1 . . . . . . . . 5627 1 1585 . 1 1 143 143 PRO HD3 H 1 3.63 0.02 . 1 . . . . . . . . 5627 1 1586 . 1 1 144 144 SER N N 15 114.90 0.1 . 1 . . . . . . . . 5627 1 1587 . 1 1 144 144 SER H H 1 8.21 0.02 . 1 . . . . . . . . 5627 1 1588 . 1 1 144 144 SER C C 13 172.83 0.2 . 1 . . . . . . . . 5627 1 1589 . 1 1 144 144 SER CA C 13 58.09 0.2 . 1 . . . . . . . . 5627 1 1590 . 1 1 144 144 SER CB C 13 64.77 0.2 . 1 . . . . . . . . 5627 1 1591 . 1 1 144 144 SER HA H 1 4.26 0.02 . 1 . . . . . . . . 5627 1 1592 . 1 1 144 144 SER HB2 H 1 3.36 0.02 . 2 . . . . . . . . 5627 1 1593 . 1 1 144 144 SER HB3 H 1 3.95 0.02 . 2 . . . . . . . . 5627 1 1594 . 1 1 145 145 ASP N N 15 122.00 0.1 . 1 . . . . . . . . 5627 1 1595 . 1 1 145 145 ASP H H 1 8.19 0.02 . 1 . . . . . . . . 5627 1 1596 . 1 1 145 145 ASP C C 13 175.56 0.2 . 1 . . . . . . . . 5627 1 1597 . 1 1 145 145 ASP CA C 13 54.95 0.2 . 1 . . . . . . . . 5627 1 1598 . 1 1 145 145 ASP CB C 13 40.86 0.2 . 1 . . . . . . . . 5627 1 1599 . 1 1 145 145 ASP HA H 1 4.49 0.02 . 1 . . . . . . . . 5627 1 1600 . 1 1 145 145 ASP HB2 H 1 2.64 0.02 . 1 . . . . . . . . 5627 1 1601 . 1 1 145 145 ASP HB3 H 1 2.64 0.02 . 1 . . . . . . . . 5627 1 1602 . 1 1 146 146 THR N N 15 111.50 0.1 . 1 . . . . . . . . 5627 1 1603 . 1 1 146 146 THR H H 1 7.70 0.02 . 1 . . . . . . . . 5627 1 1604 . 1 1 146 146 THR C C 13 173.92 0.2 . 1 . . . . . . . . 5627 1 1605 . 1 1 146 146 THR CA C 13 59.50 0.2 . 1 . . . . . . . . 5627 1 1606 . 1 1 146 146 THR CB C 13 71.89 0.2 . 1 . . . . . . . . 5627 1 1607 . 1 1 146 146 THR HA H 1 4.49 0.02 . 1 . . . . . . . . 5627 1 1608 . 1 1 146 146 THR HB H 1 3.84 0.02 . 1 . . . . . . . . 5627 1 1609 . 1 1 146 146 THR HG21 H 1 1.03 0.02 . 1 . . . . . . . . 5627 1 1610 . 1 1 146 146 THR HG22 H 1 1.03 0.02 . 1 . . . . . . . . 5627 1 1611 . 1 1 146 146 THR HG23 H 1 1.03 0.02 . 1 . . . . . . . . 5627 1 1612 . 1 1 146 146 THR CG2 C 13 21.70 0.2 . 1 . . . . . . . . 5627 1 1613 . 1 1 147 147 LEU N N 15 126.60 0.1 . 1 . . . . . . . . 5627 1 1614 . 1 1 147 147 LEU H H 1 9.50 0.02 . 1 . . . . . . . . 5627 1 1615 . 1 1 147 147 LEU C C 13 174.46 0.2 . 1 . . . . . . . . 5627 1 1616 . 1 1 147 147 LEU CA C 13 56.24 0.2 . 1 . . . . . . . . 5627 1 1617 . 1 1 147 147 LEU CB C 13 41.40 0.2 . 1 . . . . . . . . 5627 1 1618 . 1 1 147 147 LEU HA H 1 5.09 0.02 . 1 . . . . . . . . 5627 1 1619 . 1 1 147 147 LEU HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5627 1 1620 . 1 1 147 147 LEU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 5627 1 1621 . 1 1 147 147 LEU HG H 1 1.19 0.02 . 1 . . . . . . . . 5627 1 1622 . 1 1 147 147 LEU HD11 H 1 0.73 0.02 . 2 . . . . . . . . 5627 1 1623 . 1 1 147 147 LEU HD12 H 1 0.73 0.02 . 2 . . . . . . . . 5627 1 1624 . 1 1 147 147 LEU HD13 H 1 0.73 0.02 . 2 . . . . . . . . 5627 1 1625 . 1 1 147 147 LEU HD21 H 1 1.02 0.02 . 2 . . . . . . . . 5627 1 1626 . 1 1 147 147 LEU HD22 H 1 1.02 0.02 . 2 . . . . . . . . 5627 1 1627 . 1 1 147 147 LEU HD23 H 1 1.02 0.02 . 2 . . . . . . . . 5627 1 1628 . 1 1 147 147 LEU CD2 C 13 22.40 0.2 . 1 . . . . . . . . 5627 1 1629 . 1 1 148 148 GLU N N 15 129.00 0.1 . 1 . . . . . . . . 5627 1 1630 . 1 1 148 148 GLU H H 1 8.54 0.02 . 1 . . . . . . . . 5627 1 1631 . 1 1 148 148 GLU C C 13 175.87 0.2 . 1 . . . . . . . . 5627 1 1632 . 1 1 148 148 GLU CA C 13 54.94 0.2 . 1 . . . . . . . . 5627 1 1633 . 1 1 148 148 GLU CB C 13 33.14 0.2 . 1 . . . . . . . . 5627 1 1634 . 1 1 148 148 GLU HA H 1 5.39 0.02 . 1 . . . . . . . . 5627 1 1635 . 1 1 148 148 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5627 1 1636 . 1 1 148 148 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . 5627 1 1637 . 1 1 148 148 GLU HG2 H 1 2.21 0.02 . 1 . . . . . . . . 5627 1 1638 . 1 1 148 148 GLU HG3 H 1 2.21 0.02 . 1 . . . . . . . . 5627 1 1639 . 1 1 149 149 VAL N N 15 125.60 0.1 . 1 . . . . . . . . 5627 1 1640 . 1 1 149 149 VAL H H 1 9.46 0.02 . 1 . . . . . . . . 5627 1 1641 . 1 1 149 149 VAL C C 13 173.87 0.2 . 1 . . . . . . . . 5627 1 1642 . 1 1 149 149 VAL CA C 13 61.61 0.2 . 1 . . . . . . . . 5627 1 1643 . 1 1 149 149 VAL CB C 13 36.43 0.2 . 1 . . . . . . . . 5627 1 1644 . 1 1 149 149 VAL HA H 1 5.10 0.02 . 1 . . . . . . . . 5627 1 1645 . 1 1 149 149 VAL HB H 1 2.06 0.02 . 1 . . . . . . . . 5627 1 1646 . 1 1 149 149 VAL HG11 H 1 0.98 0.02 . 2 . . . . . . . . 5627 1 1647 . 1 1 149 149 VAL HG12 H 1 0.98 0.02 . 2 . . . . . . . . 5627 1 1648 . 1 1 149 149 VAL HG13 H 1 0.98 0.02 . 2 . . . . . . . . 5627 1 1649 . 1 1 149 149 VAL HG21 H 1 0.76 0.02 . 2 . . . . . . . . 5627 1 1650 . 1 1 149 149 VAL HG22 H 1 0.76 0.02 . 2 . . . . . . . . 5627 1 1651 . 1 1 149 149 VAL HG23 H 1 0.76 0.02 . 2 . . . . . . . . 5627 1 1652 . 1 1 149 149 VAL CG1 C 13 23.90 0.2 . 1 . . . . . . . . 5627 1 1653 . 1 1 149 149 VAL CG2 C 13 20.60 0.2 . 1 . . . . . . . . 5627 1 1654 . 1 1 150 150 THR N N 15 126.60 0.1 . 1 . . . . . . . . 5627 1 1655 . 1 1 150 150 THR H H 1 9.15 0.02 . 1 . . . . . . . . 5627 1 1656 . 1 1 150 150 THR C C 13 172.82 0.2 . 1 . . . . . . . . 5627 1 1657 . 1 1 150 150 THR CA C 13 61.39 0.2 . 1 . . . . . . . . 5627 1 1658 . 1 1 150 150 THR CB C 13 71.10 0.2 . 1 . . . . . . . . 5627 1 1659 . 1 1 150 150 THR HA H 1 5.79 0.02 . 1 . . . . . . . . 5627 1 1660 . 1 1 150 150 THR HB H 1 4.12 0.02 . 1 . . . . . . . . 5627 1 1661 . 1 1 150 150 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 5627 1 1662 . 1 1 150 150 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 5627 1 1663 . 1 1 150 150 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 5627 1 1664 . 1 1 150 150 THR CG2 C 13 21.40 0.2 . 1 . . . . . . . . 5627 1 1665 . 1 1 151 151 TYR N N 15 126.60 0.1 . 1 . . . . . . . . 5627 1 1666 . 1 1 151 151 TYR H H 1 8.52 0.02 . 1 . . . . . . . . 5627 1 1667 . 1 1 151 151 TYR C C 13 172.59 0.2 . 1 . . . . . . . . 5627 1 1668 . 1 1 151 151 TYR CA C 13 56.45 0.2 . 1 . . . . . . . . 5627 1 1669 . 1 1 151 151 TYR CB C 13 44.13 0.2 . 1 . . . . . . . . 5627 1 1670 . 1 1 151 151 TYR HA H 1 5.33 0.02 . 1 . . . . . . . . 5627 1 1671 . 1 1 151 151 TYR HB2 H 1 2.49 0.02 . 2 . . . . . . . . 5627 1 1672 . 1 1 151 151 TYR HB3 H 1 3.09 0.02 . 2 . . . . . . . . 5627 1 1673 . 1 1 151 151 TYR HD1 H 1 6.80 0.02 . 1 . . . . . . . . 5627 1 1674 . 1 1 151 151 TYR HD2 H 1 6.80 0.02 . 1 . . . . . . . . 5627 1 1675 . 1 1 151 151 TYR HE1 H 1 6.84 0.02 . 1 . . . . . . . . 5627 1 1676 . 1 1 151 151 TYR HE2 H 1 6.84 0.02 . 1 . . . . . . . . 5627 1 1677 . 1 1 152 152 GLU N N 15 131.20 0.1 . 1 . . . . . . . . 5627 1 1678 . 1 1 152 152 GLU H H 1 8.59 0.02 . 1 . . . . . . . . 5627 1 1679 . 1 1 152 152 GLU C C 13 172.90 0.2 . 1 . . . . . . . . 5627 1 1680 . 1 1 152 152 GLU CA C 13 54.36 0.2 . 1 . . . . . . . . 5627 1 1681 . 1 1 152 152 GLU CB C 13 34.09 0.2 . 1 . . . . . . . . 5627 1 1682 . 1 1 152 152 GLU HA H 1 5.35 0.02 . 1 . . . . . . . . 5627 1 1683 . 1 1 152 152 GLU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5627 1 1684 . 1 1 152 152 GLU HB3 H 1 2.21 0.02 . 2 . . . . . . . . 5627 1 1685 . 1 1 152 152 GLU HG2 H 1 2.43 0.02 . 1 . . . . . . . . 5627 1 1686 . 1 1 152 152 GLU HG3 H 1 2.43 0.02 . 1 . . . . . . . . 5627 1 1687 . 1 1 153 153 GLY N N 15 110.00 0.1 . 1 . . . . . . . . 5627 1 1688 . 1 1 153 153 GLY H H 1 8.79 0.02 . 1 . . . . . . . . 5627 1 1689 . 1 1 153 153 GLY C C 13 170.56 0.2 . 1 . . . . . . . . 5627 1 1690 . 1 1 153 153 GLY CA C 13 43.81 0.2 . 1 . . . . . . . . 5627 1 1691 . 1 1 153 153 GLY HA2 H 1 3.32 0.02 . 2 . . . . . . . . 5627 1 1692 . 1 1 153 153 GLY HA3 H 1 4.16 0.02 . 2 . . . . . . . . 5627 1 1693 . 1 1 154 154 GLU N N 15 119.50 0.1 . 1 . . . . . . . . 5627 1 1694 . 1 1 154 154 GLU H H 1 7.46 0.02 . 1 . . . . . . . . 5627 1 1695 . 1 1 154 154 GLU C C 13 174.07 0.2 . 1 . . . . . . . . 5627 1 1696 . 1 1 154 154 GLU CA C 13 55.60 0.2 . 1 . . . . . . . . 5627 1 1697 . 1 1 154 154 GLU CB C 13 32.20 0.2 . 1 . . . . . . . . 5627 1 1698 . 1 1 154 154 GLU HA H 1 4.54 0.02 . 1 . . . . . . . . 5627 1 1699 . 1 1 154 154 GLU HB2 H 1 1.70 0.02 . 2 . . . . . . . . 5627 1 1700 . 1 1 154 154 GLU HB3 H 1 1.81 0.02 . 2 . . . . . . . . 5627 1 1701 . 1 1 154 154 GLU HG2 H 1 1.98 0.02 . 1 . . . . . . . . 5627 1 1702 . 1 1 154 154 GLU HG3 H 1 1.98 0.02 . 1 . . . . . . . . 5627 1 1703 . 1 1 155 155 PHE N N 15 125.90 0.1 . 1 . . . . . . . . 5627 1 1704 . 1 1 155 155 PHE H H 1 8.19 0.02 . 1 . . . . . . . . 5627 1 1705 . 1 1 155 155 PHE C C 13 176.42 0.2 . 1 . . . . . . . . 5627 1 1706 . 1 1 155 155 PHE CA C 13 56.35 0.2 . 1 . . . . . . . . 5627 1 1707 . 1 1 155 155 PHE CB C 13 40.61 0.2 . 1 . . . . . . . . 5627 1 1708 . 1 1 155 155 PHE HA H 1 4.85 0.02 . 1 . . . . . . . . 5627 1 1709 . 1 1 155 155 PHE HB2 H 1 3.08 0.02 . 2 . . . . . . . . 5627 1 1710 . 1 1 155 155 PHE HB3 H 1 3.22 0.02 . 2 . . . . . . . . 5627 1 1711 . 1 1 155 155 PHE HD1 H 1 7.47 0.02 . 1 . . . . . . . . 5627 1 1712 . 1 1 155 155 PHE HD2 H 1 7.47 0.02 . 1 . . . . . . . . 5627 1 1713 . 1 1 155 155 PHE HE1 H 1 7.33 0.02 . 1 . . . . . . . . 5627 1 1714 . 1 1 155 155 PHE HE2 H 1 7.33 0.02 . 1 . . . . . . . . 5627 1 1715 . 1 1 156 156 LYS N N 15 122.70 0.1 . 1 . . . . . . . . 5627 1 1716 . 1 1 156 156 LYS H H 1 8.14 0.02 . 1 . . . . . . . . 5627 1 1717 . 1 1 156 156 LYS C C 13 175.41 0.2 . 1 . . . . . . . . 5627 1 1718 . 1 1 156 156 LYS CA C 13 55.41 0.2 . 1 . . . . . . . . 5627 1 1719 . 1 1 156 156 LYS CB C 13 30.53 0.2 . 1 . . . . . . . . 5627 1 1720 . 1 1 156 156 LYS HA H 1 4.35 0.02 . 1 . . . . . . . . 5627 1 1721 . 1 1 156 156 LYS HB2 H 1 1.62 0.02 . 2 . . . . . . . . 5627 1 1722 . 1 1 156 156 LYS HB3 H 1 1.79 0.02 . 2 . . . . . . . . 5627 1 1723 . 1 1 156 156 LYS HG2 H 1 0.81 0.02 . 2 . . . . . . . . 5627 1 1724 . 1 1 156 156 LYS HG3 H 1 0.98 0.02 . 2 . . . . . . . . 5627 1 1725 . 1 1 157 157 ASN N N 15 118.60 0.1 . 1 . . . . . . . . 5627 1 1726 . 1 1 157 157 ASN H H 1 7.95 0.02 . 1 . . . . . . . . 5627 1 1727 . 1 1 157 157 ASN C C 13 176.58 0.2 . 1 . . . . . . . . 5627 1 1728 . 1 1 157 157 ASN CA C 13 51.66 0.2 . 1 . . . . . . . . 5627 1 1729 . 1 1 157 157 ASN CB C 13 39.67 0.2 . 1 . . . . . . . . 5627 1 1730 . 1 1 157 157 ASN HA H 1 4.98 0.02 . 1 . . . . . . . . 5627 1 1731 . 1 1 157 157 ASN HB2 H 1 2.99 0.02 . 2 . . . . . . . . 5627 1 1732 . 1 1 157 157 ASN HB3 H 1 3.15 0.02 . 2 . . . . . . . . 5627 1 1733 . 1 1 158 158 PHE N N 15 115.40 0.1 . 1 . . . . . . . . 5627 1 1734 . 1 1 158 158 PHE H H 1 7.57 0.02 . 1 . . . . . . . . 5627 1 1735 . 1 1 158 158 PHE C C 13 175.25 0.2 . 1 . . . . . . . . 5627 1 1736 . 1 1 158 158 PHE CA C 13 59.36 0.2 . 1 . . . . . . . . 5627 1 1737 . 1 1 158 158 PHE CB C 13 38.51 0.2 . 1 . . . . . . . . 5627 1 1738 . 1 1 158 158 PHE HA H 1 4.50 0.02 . 1 . . . . . . . . 5627 1 1739 . 1 1 158 158 PHE HB2 H 1 3.16 0.02 . 2 . . . . . . . . 5627 1 1740 . 1 1 158 158 PHE HB3 H 1 3.34 0.02 . 2 . . . . . . . . 5627 1 1741 . 1 1 158 158 PHE HD1 H 1 7.25 0.02 . 1 . . . . . . . . 5627 1 1742 . 1 1 158 158 PHE HD2 H 1 7.25 0.02 . 1 . . . . . . . . 5627 1 1743 . 1 1 158 158 PHE HE1 H 1 7.28 0.02 . 1 . . . . . . . . 5627 1 1744 . 1 1 158 158 PHE HE2 H 1 7.28 0.02 . 1 . . . . . . . . 5627 1 1745 . 1 1 158 158 PHE HZ H 1 7.04 0.02 . 1 . . . . . . . . 5627 1 1746 . 1 1 159 159 LEU N N 15 121.50 0.1 . 1 . . . . . . . . 5627 1 1747 . 1 1 159 159 LEU H H 1 6.74 0.02 . 1 . . . . . . . . 5627 1 1748 . 1 1 159 159 LEU C C 13 178.21 0.2 . 1 . . . . . . . . 5627 1 1749 . 1 1 159 159 LEU CA C 13 56.57 0.2 . 1 . . . . . . . . 5627 1 1750 . 1 1 159 159 LEU CB C 13 42.10 0.2 . 1 . . . . . . . . 5627 1 1751 . 1 1 159 159 LEU HA H 1 3.90 0.02 . 1 . . . . . . . . 5627 1 1752 . 1 1 159 159 LEU HB2 H 1 1.73 0.02 . 1 . . . . . . . . 5627 1 1753 . 1 1 159 159 LEU HB3 H 1 1.73 0.02 . 1 . . . . . . . . 5627 1 1754 . 1 1 159 159 LEU HG H 1 1.20 0.02 . 1 . . . . . . . . 5627 1 1755 . 1 1 159 159 LEU HD11 H 1 0.30 0.02 . 2 . . . . . . . . 5627 1 1756 . 1 1 159 159 LEU HD12 H 1 0.30 0.02 . 2 . . . . . . . . 5627 1 1757 . 1 1 159 159 LEU HD13 H 1 0.30 0.02 . 2 . . . . . . . . 5627 1 1758 . 1 1 159 159 LEU HD21 H 1 0.64 0.02 . 2 . . . . . . . . 5627 1 1759 . 1 1 159 159 LEU HD22 H 1 0.64 0.02 . 2 . . . . . . . . 5627 1 1760 . 1 1 159 159 LEU HD23 H 1 0.64 0.02 . 2 . . . . . . . . 5627 1 1761 . 1 1 159 159 LEU CD1 C 13 26.10 0.2 . 1 . . . . . . . . 5627 1 1762 . 1 1 159 159 LEU CD2 C 13 22.90 0.2 . 1 . . . . . . . . 5627 1 1763 . 1 1 160 160 GLY N N 15 104.40 0.1 . 1 . . . . . . . . 5627 1 1764 . 1 1 160 160 GLY H H 1 7.31 0.02 . 1 . . . . . . . . 5627 1 1765 . 1 1 160 160 GLY C C 13 173.40 0.2 . 1 . . . . . . . . 5627 1 1766 . 1 1 160 160 GLY CA C 13 46.74 0.2 . 1 . . . . . . . . 5627 1 1767 . 1 1 160 160 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 5627 1 1768 . 1 1 160 160 GLY HA3 H 1 4.04 0.02 . 2 . . . . . . . . 5627 1 1769 . 1 1 161 161 ARG N N 15 125.70 0.1 . 1 . . . . . . . . 5627 1 1770 . 1 1 161 161 ARG H H 1 8.27 0.02 . 1 . . . . . . . . 5627 1 1771 . 1 1 161 161 ARG C C 13 176.42 0.2 . 1 . . . . . . . . 5627 1 1772 . 1 1 161 161 ARG CA C 13 55.77 0.2 . 1 . . . . . . . . 5627 1 1773 . 1 1 161 161 ARG CB C 13 30.93 0.2 . 1 . . . . . . . . 5627 1 1774 . 1 1 161 161 ARG HA H 1 5.03 0.02 . 1 . . . . . . . . 5627 1 1775 . 1 1 161 161 ARG HB2 H 1 1.99 0.02 . 1 . . . . . . . . 5627 1 1776 . 1 1 161 161 ARG HB3 H 1 1.99 0.02 . 1 . . . . . . . . 5627 1 1777 . 1 1 161 161 ARG HG2 H 1 1.82 0.02 . 1 . . . . . . . . 5627 1 1778 . 1 1 161 161 ARG HG3 H 1 1.82 0.02 . 1 . . . . . . . . 5627 1 1779 . 1 1 161 161 ARG HD2 H 1 3.32 0.02 . 1 . . . . . . . . 5627 1 1780 . 1 1 161 161 ARG HD3 H 1 3.32 0.02 . 1 . . . . . . . . 5627 1 1781 . 1 1 162 162 GLN N N 15 123.70 0.1 . 1 . . . . . . . . 5627 1 1782 . 1 1 162 162 GLN H H 1 8.45 0.02 . 1 . . . . . . . . 5627 1 1783 . 1 1 162 162 GLN C C 13 173.88 0.2 . 1 . . . . . . . . 5627 1 1784 . 1 1 162 162 GLN CA C 13 54.95 0.2 . 1 . . . . . . . . 5627 1 1785 . 1 1 162 162 GLN CB C 13 35.01 0.2 . 1 . . . . . . . . 5627 1 1786 . 1 1 162 162 GLN HA H 1 4.99 0.02 . 1 . . . . . . . . 5627 1 1787 . 1 1 162 162 GLN HB2 H 1 2.20 0.02 . 1 . . . . . . . . 5627 1 1788 . 1 1 162 162 GLN HB3 H 1 2.20 0.02 . 1 . . . . . . . . 5627 1 1789 . 1 1 162 162 GLN HG2 H 1 1.91 0.02 . 1 . . . . . . . . 5627 1 1790 . 1 1 162 162 GLN HG3 H 1 1.91 0.02 . 1 . . . . . . . . 5627 1 1791 . 1 1 163 163 LYS N N 15 120.30 0.1 . 1 . . . . . . . . 5627 1 1792 . 1 1 163 163 LYS H H 1 8.55 0.02 . 1 . . . . . . . . 5627 1 1793 . 1 1 163 163 LYS C C 13 174.78 0.2 . 1 . . . . . . . . 5627 1 1794 . 1 1 163 163 LYS CA C 13 55.16 0.2 . 1 . . . . . . . . 5627 1 1795 . 1 1 163 163 LYS CB C 13 37.03 0.2 . 1 . . . . . . . . 5627 1 1796 . 1 1 163 163 LYS HA H 1 5.74 0.02 . 1 . . . . . . . . 5627 1 1797 . 1 1 163 163 LYS HB2 H 1 1.59 0.02 . 2 . . . . . . . . 5627 1 1798 . 1 1 163 163 LYS HB3 H 1 1.82 0.02 . 2 . . . . . . . . 5627 1 1799 . 1 1 163 163 LYS HG2 H 1 1.17 0.02 . 2 . . . . . . . . 5627 1 1800 . 1 1 163 163 LYS HG3 H 1 1.33 0.02 . 2 . . . . . . . . 5627 1 1801 . 1 1 163 163 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . 5627 1 1802 . 1 1 163 163 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . 5627 1 1803 . 1 1 164 164 PHE N N 15 122.90 0.1 . 1 . . . . . . . . 5627 1 1804 . 1 1 164 164 PHE H H 1 8.49 0.02 . 1 . . . . . . . . 5627 1 1805 . 1 1 164 164 PHE C C 13 172.51 0.2 . 1 . . . . . . . . 5627 1 1806 . 1 1 164 164 PHE CA C 13 58.78 0.2 . 1 . . . . . . . . 5627 1 1807 . 1 1 164 164 PHE CB C 13 43.90 0.2 . 1 . . . . . . . . 5627 1 1808 . 1 1 164 164 PHE HA H 1 4.71 0.02 . 1 . . . . . . . . 5627 1 1809 . 1 1 164 164 PHE HB2 H 1 2.48 0.02 . 2 . . . . . . . . 5627 1 1810 . 1 1 164 164 PHE HB3 H 1 3.12 0.02 . 2 . . . . . . . . 5627 1 1811 . 1 1 164 164 PHE HD1 H 1 7.11 0.02 . 1 . . . . . . . . 5627 1 1812 . 1 1 164 164 PHE HD2 H 1 7.11 0.02 . 1 . . . . . . . . 5627 1 1813 . 1 1 164 164 PHE HE1 H 1 7.26 0.02 . 1 . . . . . . . . 5627 1 1814 . 1 1 164 164 PHE HE2 H 1 7.26 0.02 . 1 . . . . . . . . 5627 1 1815 . 1 1 165 165 THR N N 15 124.40 0.1 . 1 . . . . . . . . 5627 1 1816 . 1 1 165 165 THR H H 1 7.18 0.02 . 1 . . . . . . . . 5627 1 1817 . 1 1 165 165 THR C C 13 172.20 0.2 . 1 . . . . . . . . 5627 1 1818 . 1 1 165 165 THR CA C 13 61.96 0.2 . 1 . . . . . . . . 5627 1 1819 . 1 1 165 165 THR CB C 13 71.17 0.2 . 1 . . . . . . . . 5627 1 1820 . 1 1 165 165 THR HA H 1 4.88 0.02 . 1 . . . . . . . . 5627 1 1821 . 1 1 165 165 THR HB H 1 3.39 0.02 . 1 . . . . . . . . 5627 1 1822 . 1 1 165 165 THR HG21 H 1 0.89 0.02 . 1 . . . . . . . . 5627 1 1823 . 1 1 165 165 THR HG22 H 1 0.89 0.02 . 1 . . . . . . . . 5627 1 1824 . 1 1 165 165 THR HG23 H 1 0.89 0.02 . 1 . . . . . . . . 5627 1 1825 . 1 1 165 165 THR CG2 C 13 21.40 0.2 . 1 . . . . . . . . 5627 1 1826 . 1 1 166 166 PHE N N 15 128.60 0.1 . 1 . . . . . . . . 5627 1 1827 . 1 1 166 166 PHE H H 1 9.46 0.02 . 1 . . . . . . . . 5627 1 1828 . 1 1 166 166 PHE C C 13 172.59 0.2 . 1 . . . . . . . . 5627 1 1829 . 1 1 166 166 PHE CA C 13 56.58 0.2 . 1 . . . . . . . . 5627 1 1830 . 1 1 166 166 PHE CB C 13 42.95 0.2 . 1 . . . . . . . . 5627 1 1831 . 1 1 166 166 PHE HA H 1 4.65 0.02 . 1 . . . . . . . . 5627 1 1832 . 1 1 166 166 PHE HB2 H 1 2.97 0.02 . 2 . . . . . . . . 5627 1 1833 . 1 1 166 166 PHE HB3 H 1 3.12 0.02 . 2 . . . . . . . . 5627 1 1834 . 1 1 166 166 PHE HD1 H 1 6.89 0.02 . 1 . . . . . . . . 5627 1 1835 . 1 1 166 166 PHE HD2 H 1 6.89 0.02 . 1 . . . . . . . . 5627 1 1836 . 1 1 166 166 PHE HE1 H 1 7.22 0.02 . 1 . . . . . . . . 5627 1 1837 . 1 1 166 166 PHE HE2 H 1 7.22 0.02 . 1 . . . . . . . . 5627 1 1838 . 1 1 166 166 PHE HZ H 1 7.01 0.02 . 1 . . . . . . . . 5627 1 1839 . 1 1 167 167 VAL N N 15 125.90 0.1 . 1 . . . . . . . . 5627 1 1840 . 1 1 167 167 VAL H H 1 6.72 0.02 . 1 . . . . . . . . 5627 1 1841 . 1 1 167 167 VAL C C 13 173.28 0.2 . 1 . . . . . . . . 5627 1 1842 . 1 1 167 167 VAL CA C 13 59.87 0.2 . 1 . . . . . . . . 5627 1 1843 . 1 1 167 167 VAL CB C 13 34.54 0.2 . 1 . . . . . . . . 5627 1 1844 . 1 1 167 167 VAL HA H 1 4.19 0.02 . 1 . . . . . . . . 5627 1 1845 . 1 1 167 167 VAL HB H 1 1.58 0.02 . 1 . . . . . . . . 5627 1 1846 . 1 1 167 167 VAL HG11 H 1 0.78 0.02 . 2 . . . . . . . . 5627 1 1847 . 1 1 167 167 VAL HG12 H 1 0.78 0.02 . 2 . . . . . . . . 5627 1 1848 . 1 1 167 167 VAL HG13 H 1 0.78 0.02 . 2 . . . . . . . . 5627 1 1849 . 1 1 167 167 VAL HG21 H 1 0.65 0.02 . 2 . . . . . . . . 5627 1 1850 . 1 1 167 167 VAL HG22 H 1 0.65 0.02 . 2 . . . . . . . . 5627 1 1851 . 1 1 167 167 VAL HG23 H 1 0.65 0.02 . 2 . . . . . . . . 5627 1 1852 . 1 1 167 167 VAL CG1 C 13 20.60 0.2 . 1 . . . . . . . . 5627 1 1853 . 1 1 167 167 VAL CG2 C 13 20.60 0.2 . 1 . . . . . . . . 5627 1 1854 . 1 1 168 168 GLU N N 15 122.50 0.1 . 1 . . . . . . . . 5627 1 1855 . 1 1 168 168 GLU H H 1 7.33 0.02 . 1 . . . . . . . . 5627 1 1856 . 1 1 168 168 GLU C C 13 175.17 0.2 . 1 . . . . . . . . 5627 1 1857 . 1 1 168 168 GLU CA C 13 58.21 0.2 . 1 . . . . . . . . 5627 1 1858 . 1 1 168 168 GLU CB C 13 30.57 0.2 . 1 . . . . . . . . 5627 1 1859 . 1 1 168 168 GLU HA H 1 3.89 0.02 . 1 . . . . . . . . 5627 1 1860 . 1 1 168 168 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5627 1 1861 . 1 1 168 168 GLU HB3 H 1 2.22 0.02 . 2 . . . . . . . . 5627 1 1862 . 1 1 168 168 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 5627 1 1863 . 1 1 168 168 GLU HG3 H 1 2.48 0.02 . 2 . . . . . . . . 5627 1 1864 . 1 1 169 169 GLY N N 15 113.70 0.1 . 1 . . . . . . . . 5627 1 1865 . 1 1 169 169 GLY H H 1 9.49 0.02 . 1 . . . . . . . . 5627 1 1866 . 1 1 169 169 GLY C C 13 175.79 0.2 . 1 . . . . . . . . 5627 1 1867 . 1 1 169 169 GLY CA C 13 44.87 0.2 . 1 . . . . . . . . 5627 1 1868 . 1 1 169 169 GLY HA2 H 1 3.98 0.02 . 2 . . . . . . . . 5627 1 1869 . 1 1 169 169 GLY HA3 H 1 4.47 0.02 . 2 . . . . . . . . 5627 1 1870 . 1 1 170 170 ASN N N 15 119.60 0.1 . 1 . . . . . . . . 5627 1 1871 . 1 1 170 170 ASN H H 1 7.60 0.02 . 1 . . . . . . . . 5627 1 1872 . 1 1 170 170 ASN C C 13 177.20 0.2 . 1 . . . . . . . . 5627 1 1873 . 1 1 170 170 ASN CA C 13 52.25 0.2 . 1 . . . . . . . . 5627 1 1874 . 1 1 170 170 ASN CB C 13 38.74 0.2 . 1 . . . . . . . . 5627 1 1875 . 1 1 170 170 ASN HA H 1 5.45 0.02 . 1 . . . . . . . . 5627 1 1876 . 1 1 170 170 ASN HB2 H 1 2.72 0.02 . 2 . . . . . . . . 5627 1 1877 . 1 1 170 170 ASN HB3 H 1 3.11 0.02 . 2 . . . . . . . . 5627 1 1878 . 1 1 171 171 GLU N N 15 121.20 0.1 . 1 . . . . . . . . 5627 1 1879 . 1 1 171 171 GLU H H 1 9.69 0.02 . 1 . . . . . . . . 5627 1 1880 . 1 1 171 171 GLU C C 13 178.09 0.2 . 1 . . . . . . . . 5627 1 1881 . 1 1 171 171 GLU CA C 13 62.33 0.2 . 1 . . . . . . . . 5627 1 1882 . 1 1 171 171 GLU CB C 13 28.44 0.2 . 1 . . . . . . . . 5627 1 1883 . 1 1 171 171 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 5627 1 1884 . 1 1 171 171 GLU HB2 H 1 2.05 0.02 . 1 . . . . . . . . 5627 1 1885 . 1 1 171 171 GLU HB3 H 1 2.05 0.02 . 1 . . . . . . . . 5627 1 1886 . 1 1 171 171 GLU HG2 H 1 2.24 0.02 . 1 . . . . . . . . 5627 1 1887 . 1 1 171 171 GLU HG3 H 1 2.24 0.02 . 1 . . . . . . . . 5627 1 1888 . 1 1 172 172 GLU N N 15 121.20 0.1 . 1 . . . . . . . . 5627 1 1889 . 1 1 172 172 GLU H H 1 9.54 0.02 . 1 . . . . . . . . 5627 1 1890 . 1 1 172 172 GLU C C 13 177.08 0.2 . 1 . . . . . . . . 5627 1 1891 . 1 1 172 172 GLU CA C 13 59.98 0.2 . 1 . . . . . . . . 5627 1 1892 . 1 1 172 172 GLU CB C 13 28.66 0.2 . 1 . . . . . . . . 5627 1 1893 . 1 1 172 172 GLU HA H 1 3.89 0.02 . 1 . . . . . . . . 5627 1 1894 . 1 1 173 173 GLU N N 15 116.30 0.1 . 1 . . . . . . . . 5627 1 1895 . 1 1 173 173 GLU H H 1 8.05 0.02 . 1 . . . . . . . . 5627 1 1896 . 1 1 173 173 GLU C C 13 176.81 0.2 . 1 . . . . . . . . 5627 1 1897 . 1 1 173 173 GLU CA C 13 57.39 0.2 . 1 . . . . . . . . 5627 1 1898 . 1 1 173 173 GLU CB C 13 30.31 0.2 . 1 . . . . . . . . 5627 1 1899 . 1 1 173 173 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 5627 1 1900 . 1 1 173 173 GLU HB2 H 1 2.40 0.02 . 1 . . . . . . . . 5627 1 1901 . 1 1 173 173 GLU HB3 H 1 2.40 0.02 . 1 . . . . . . . . 5627 1 1902 . 1 1 173 173 GLU HG2 H 1 2.26 0.02 . 1 . . . . . . . . 5627 1 1903 . 1 1 173 173 GLU HG3 H 1 2.26 0.02 . 1 . . . . . . . . 5627 1 1904 . 1 1 174 174 ILE N N 15 105.10 0.1 . 1 . . . . . . . . 5627 1 1905 . 1 1 174 174 ILE H H 1 7.44 0.02 . 1 . . . . . . . . 5627 1 1906 . 1 1 174 174 ILE CA C 13 61.57 0.2 . 1 . . . . . . . . 5627 1 1907 . 1 1 174 174 ILE CB C 13 41.55 0.2 . 1 . . . . . . . . 5627 1 1908 . 1 1 174 174 ILE HA H 1 4.42 0.02 . 1 . . . . . . . . 5627 1 1909 . 1 1 174 174 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 5627 1 1910 . 1 1 174 174 ILE HG21 H 1 0.82 0.02 . 1 . . . . . . . . 5627 1 1911 . 1 1 174 174 ILE HG22 H 1 0.82 0.02 . 1 . . . . . . . . 5627 1 1912 . 1 1 174 174 ILE HG23 H 1 0.82 0.02 . 1 . . . . . . . . 5627 1 1913 . 1 1 174 174 ILE CG2 C 13 19.40 0.2 . 1 . . . . . . . . 5627 1 1914 . 1 1 174 174 ILE HG12 H 1 1.05 0.02 . 1 . . . . . . . . 5627 1 1915 . 1 1 174 174 ILE HG13 H 1 1.05 0.02 . 1 . . . . . . . . 5627 1 1916 . 1 1 174 174 ILE HD11 H 1 0.26 0.02 . 1 . . . . . . . . 5627 1 1917 . 1 1 174 174 ILE HD12 H 1 0.26 0.02 . 1 . . . . . . . . 5627 1 1918 . 1 1 174 174 ILE HD13 H 1 0.26 0.02 . 1 . . . . . . . . 5627 1 1919 . 1 1 174 174 ILE CD1 C 13 15.10 0.2 . 1 . . . . . . . . 5627 1 1920 . 1 1 175 175 VAL N N 15 115.40 0.1 . 1 . . . . . . . . 5627 1 1921 . 1 1 175 175 VAL H H 1 7.44 0.02 . 1 . . . . . . . . 5627 1 1922 . 1 1 175 175 VAL C C 13 173.77 0.2 . 1 . . . . . . . . 5627 1 1923 . 1 1 175 175 VAL CA C 13 64.83 0.2 . 1 . . . . . . . . 5627 1 1924 . 1 1 175 175 VAL CB C 13 32.20 0.2 . 1 . . . . . . . . 5627 1 1925 . 1 1 175 175 VAL HA H 1 3.38 0.02 . 1 . . . . . . . . 5627 1 1926 . 1 1 175 175 VAL HB H 1 1.83 0.02 . 1 . . . . . . . . 5627 1 1927 . 1 1 175 175 VAL HG11 H 1 0.61 0.02 . 2 . . . . . . . . 5627 1 1928 . 1 1 175 175 VAL HG12 H 1 0.61 0.02 . 2 . . . . . . . . 5627 1 1929 . 1 1 175 175 VAL HG13 H 1 0.61 0.02 . 2 . . . . . . . . 5627 1 1930 . 1 1 175 175 VAL HG21 H 1 0.64 0.02 . 2 . . . . . . . . 5627 1 1931 . 1 1 175 175 VAL HG22 H 1 0.64 0.02 . 2 . . . . . . . . 5627 1 1932 . 1 1 175 175 VAL HG23 H 1 0.64 0.02 . 2 . . . . . . . . 5627 1 1933 . 1 1 175 175 VAL CG1 C 13 19.70 0.2 . 1 . . . . . . . . 5627 1 1934 . 1 1 175 175 VAL CG2 C 13 21.10 0.2 . 1 . . . . . . . . 5627 1 1935 . 1 1 176 176 LEU N N 15 115.10 0.1 . 1 . . . . . . . . 5627 1 1936 . 1 1 176 176 LEU H H 1 7.03 0.02 . 1 . . . . . . . . 5627 1 1937 . 1 1 176 176 LEU C C 13 176.80 0.2 . 1 . . . . . . . . 5627 1 1938 . 1 1 176 176 LEU CA C 13 55.31 0.2 . 1 . . . . . . . . 5627 1 1939 . 1 1 176 176 LEU CB C 13 41.89 0.2 . 1 . . . . . . . . 5627 1 1940 . 1 1 176 176 LEU HA H 1 4.46 0.02 . 1 . . . . . . . . 5627 1 1941 . 1 1 176 176 LEU HB2 H 1 1.40 0.02 . 2 . . . . . . . . 5627 1 1942 . 1 1 176 176 LEU HB3 H 1 1.67 0.02 . 2 . . . . . . . . 5627 1 1943 . 1 1 176 176 LEU HG H 1 1.20 0.02 . 1 . . . . . . . . 5627 1 1944 . 1 1 176 176 LEU HD11 H 1 0.42 0.02 . 2 . . . . . . . . 5627 1 1945 . 1 1 176 176 LEU HD12 H 1 0.42 0.02 . 2 . . . . . . . . 5627 1 1946 . 1 1 176 176 LEU HD13 H 1 0.42 0.02 . 2 . . . . . . . . 5627 1 1947 . 1 1 176 176 LEU HD21 H 1 0.07 0.02 . 2 . . . . . . . . 5627 1 1948 . 1 1 176 176 LEU HD22 H 1 0.07 0.02 . 2 . . . . . . . . 5627 1 1949 . 1 1 176 176 LEU HD23 H 1 0.07 0.02 . 2 . . . . . . . . 5627 1 1950 . 1 1 176 176 LEU CD1 C 13 24.90 0.2 . 1 . . . . . . . . 5627 1 1951 . 1 1 176 176 LEU CD2 C 13 24.40 0.2 . 1 . . . . . . . . 5627 1 1952 . 1 1 177 177 ALA N N 15 122.00 0.1 . 1 . . . . . . . . 5627 1 1953 . 1 1 177 177 ALA H H 1 7.23 0.02 . 1 . . . . . . . . 5627 1 1954 . 1 1 177 177 ALA CA C 13 52.14 0.2 . 1 . . . . . . . . 5627 1 1955 . 1 1 177 177 ALA CB C 13 20.03 0.2 . 1 . . . . . . . . 5627 1 1956 . 1 1 177 177 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . 5627 1 1957 . 1 1 177 177 ALA HB1 H 1 1.27 0.02 . 1 . . . . . . . . 5627 1 1958 . 1 1 177 177 ALA HB2 H 1 1.27 0.02 . 1 . . . . . . . . 5627 1 1959 . 1 1 177 177 ALA HB3 H 1 1.27 0.02 . 1 . . . . . . . . 5627 1 1960 . 1 1 178 178 ARG N N 15 132.20 0.1 . 1 . . . . . . . . 5627 1 1961 . 1 1 178 178 ARG H H 1 10.39 0.02 . 1 . . . . . . . . 5627 1 1962 . 1 1 178 178 ARG C C 13 174.70 0.2 . 1 . . . . . . . . 5627 1 1963 . 1 1 178 178 ARG CA C 13 56.94 0.2 . 1 . . . . . . . . 5627 1 1964 . 1 1 178 178 ARG CB C 13 33.98 0.2 . 1 . . . . . . . . 5627 1 1965 . 1 1 178 178 ARG HA H 1 3.89 0.02 . 1 . . . . . . . . 5627 1 1966 . 1 1 178 178 ARG HB2 H 1 1.71 0.02 . 1 . . . . . . . . 5627 1 1967 . 1 1 178 178 ARG HB3 H 1 1.71 0.02 . 1 . . . . . . . . 5627 1 1968 . 1 1 179 179 THR N N 15 113.90 0.1 . 1 . . . . . . . . 5627 1 1969 . 1 1 179 179 THR H H 1 6.90 0.02 . 1 . . . . . . . . 5627 1 1970 . 1 1 179 179 THR C C 13 171.18 0.2 . 1 . . . . . . . . 5627 1 1971 . 1 1 179 179 THR CA C 13 65.34 0.2 . 1 . . . . . . . . 5627 1 1972 . 1 1 179 179 THR CB C 13 69.54 0.2 . 1 . . . . . . . . 5627 1 1973 . 1 1 179 179 THR HA H 1 3.11 0.02 . 1 . . . . . . . . 5627 1 1974 . 1 1 179 179 THR HB H 1 3.82 0.02 . 1 . . . . . . . . 5627 1 1975 . 1 1 179 179 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 5627 1 1976 . 1 1 179 179 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 5627 1 1977 . 1 1 179 179 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 5627 1 1978 . 1 1 179 179 THR CG2 C 13 21.40 0.2 . 1 . . . . . . . . 5627 1 1979 . 1 1 180 180 PHE N N 15 116.80 0.1 . 1 . . . . . . . . 5627 1 1980 . 1 1 180 180 PHE H H 1 6.42 0.02 . 1 . . . . . . . . 5627 1 1981 . 1 1 180 180 PHE C C 13 171.89 0.2 . 1 . . . . . . . . 5627 1 1982 . 1 1 180 180 PHE CA C 13 54.24 0.2 . 1 . . . . . . . . 5627 1 1983 . 1 1 180 180 PHE CB C 13 43.18 0.2 . 1 . . . . . . . . 5627 1 1984 . 1 1 180 180 PHE HA H 1 6.04 0.02 . 1 . . . . . . . . 5627 1 1985 . 1 1 180 180 PHE HB2 H 1 2.52 0.02 . 2 . . . . . . . . 5627 1 1986 . 1 1 180 180 PHE HB3 H 1 2.76 0.02 . 2 . . . . . . . . 5627 1 1987 . 1 1 180 180 PHE HD1 H 1 6.78 0.02 . 1 . . . . . . . . 5627 1 1988 . 1 1 180 180 PHE HD2 H 1 6.78 0.02 . 1 . . . . . . . . 5627 1 1989 . 1 1 180 180 PHE HE1 H 1 6.89 0.02 . 1 . . . . . . . . 5627 1 1990 . 1 1 180 180 PHE HE2 H 1 6.89 0.02 . 1 . . . . . . . . 5627 1 1991 . 1 1 180 180 PHE HZ H 1 7.30 0.02 . 1 . . . . . . . . 5627 1 1992 . 1 1 181 181 CYS N N 15 112.00 0.1 . 1 . . . . . . . . 5627 1 1993 . 1 1 181 181 CYS H H 1 8.58 0.02 . 1 . . . . . . . . 5627 1 1994 . 1 1 181 181 CYS CA C 13 55.99 0.2 . 1 . . . . . . . . 5627 1 1995 . 1 1 181 181 CYS CB C 13 31.00 0.2 . 1 . . . . . . . . 5627 1 1996 . 1 1 181 181 CYS HA H 1 4.35 0.02 . 1 . . . . . . . . 5627 1 1997 . 1 1 181 181 CYS HB2 H 1 2.49 0.02 . 2 . . . . . . . . 5627 1 1998 . 1 1 181 181 CYS HB3 H 1 2.83 0.02 . 2 . . . . . . . . 5627 1 1999 . 1 1 182 182 PHE N N 15 120.30 0.1 . 1 . . . . . . . . 5627 1 2000 . 1 1 182 182 PHE H H 1 8.54 0.02 . 1 . . . . . . . . 5627 1 2001 . 1 1 182 182 PHE C C 13 178.22 0.2 . 1 . . . . . . . . 5627 1 2002 . 1 1 182 182 PHE CA C 13 55.87 0.2 . 1 . . . . . . . . 5627 1 2003 . 1 1 182 182 PHE CB C 13 38.50 0.2 . 1 . . . . . . . . 5627 1 2004 . 1 1 182 182 PHE HA H 1 5.20 0.02 . 1 . . . . . . . . 5627 1 2005 . 1 1 182 182 PHE HB2 H 1 1.30 0.02 . 1 . . . . . . . . 5627 1 2006 . 1 1 182 182 PHE HD1 H 1 7.04 0.02 . 1 . . . . . . . . 5627 1 2007 . 1 1 182 182 PHE HD2 H 1 7.04 0.02 . 1 . . . . . . . . 5627 1 2008 . 1 1 182 182 PHE HE1 H 1 7.30 0.02 . 1 . . . . . . . . 5627 1 2009 . 1 1 182 182 PHE HE2 H 1 7.30 0.02 . 1 . . . . . . . . 5627 1 2010 . 1 1 182 182 PHE HZ H 1 6.92 0.02 . 3 . . . . . . . . 5627 1 2011 . 1 1 183 183 ASP N N 15 124.40 0.1 . 1 . . . . . . . . 5627 1 2012 . 1 1 183 183 ASP H H 1 9.11 0.02 . 1 . . . . . . . . 5627 1 2013 . 1 1 183 183 ASP C C 13 178.85 0.2 . 1 . . . . . . . . 5627 1 2014 . 1 1 183 183 ASP CA C 13 57.10 0.2 . 1 . . . . . . . . 5627 1 2015 . 1 1 183 183 ASP CB C 13 38.03 0.2 . 1 . . . . . . . . 5627 1 2016 . 1 1 183 183 ASP HA H 1 3.83 0.02 . 1 . . . . . . . . 5627 1 2017 . 1 1 183 183 ASP HB2 H 1 2.49 0.02 . 2 . . . . . . . . 5627 1 2018 . 1 1 183 183 ASP HB3 H 1 2.88 0.02 . 2 . . . . . . . . 5627 1 2019 . 1 1 184 184 TRP N N 15 119.50 0.1 . 1 . . . . . . . . 5627 1 2020 . 1 1 184 184 TRP H H 1 8.09 0.02 . 1 . . . . . . . . 5627 1 2021 . 1 1 184 184 TRP C C 13 176.61 0.2 . 1 . . . . . . . . 5627 1 2022 . 1 1 184 184 TRP CA C 13 58.95 0.2 . 1 . . . . . . . . 5627 1 2023 . 1 1 184 184 TRP CB C 13 27.73 0.2 . 1 . . . . . . . . 5627 1 2024 . 1 1 184 184 TRP HA H 1 4.73 0.02 . 1 . . . . . . . . 5627 1 2025 . 1 1 184 184 TRP HB2 H 1 3.42 0.02 . 2 . . . . . . . . 5627 1 2026 . 1 1 184 184 TRP HB3 H 1 3.64 0.02 . 2 . . . . . . . . 5627 1 2027 . 1 1 184 184 TRP HD1 H 1 7.17 0.02 . 1 . . . . . . . . 5627 1 2028 . 1 1 184 184 TRP HE3 H 1 7.29 0.02 . 1 . . . . . . . . 5627 1 2029 . 1 1 185 185 GLU N N 15 120.70 0.1 . 1 . . . . . . . . 5627 1 2030 . 1 1 185 185 GLU H H 1 7.71 0.02 . 1 . . . . . . . . 5627 1 2031 . 1 1 185 185 GLU C C 13 177.59 0.2 . 1 . . . . . . . . 5627 1 2032 . 1 1 185 185 GLU CA C 13 56.82 0.2 . 1 . . . . . . . . 5627 1 2033 . 1 1 185 185 GLU CB C 13 31.73 0.2 . 1 . . . . . . . . 5627 1 2034 . 1 1 185 185 GLU HA H 1 4.53 0.02 . 1 . . . . . . . . 5627 1 2035 . 1 1 185 185 GLU HB2 H 1 1.79 0.02 . 2 . . . . . . . . 5627 1 2036 . 1 1 185 185 GLU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 5627 1 2037 . 1 1 185 185 GLU HG2 H 1 2.19 0.02 . 1 . . . . . . . . 5627 1 2038 . 1 1 185 185 GLU HG3 H 1 2.19 0.02 . 1 . . . . . . . . 5627 1 2039 . 1 1 186 186 ILE N N 15 119.80 0.1 . 1 . . . . . . . . 5627 1 2040 . 1 1 186 186 ILE H H 1 7.12 0.02 . 1 . . . . . . . . 5627 1 2041 . 1 1 186 186 ILE C C 13 177.04 0.2 . 1 . . . . . . . . 5627 1 2042 . 1 1 186 186 ILE CA C 13 67.01 0.2 . 1 . . . . . . . . 5627 1 2043 . 1 1 186 186 ILE CB C 13 38.37 0.2 . 1 . . . . . . . . 5627 1 2044 . 1 1 186 186 ILE HA H 1 3.25 0.02 . 1 . . . . . . . . 5627 1 2045 . 1 1 186 186 ILE HB H 1 1.78 0.02 . 1 . . . . . . . . 5627 1 2046 . 1 1 186 186 ILE HG21 H 1 0.78 0.02 . 1 . . . . . . . . 5627 1 2047 . 1 1 186 186 ILE HG22 H 1 0.78 0.02 . 1 . . . . . . . . 5627 1 2048 . 1 1 186 186 ILE HG23 H 1 0.78 0.02 . 1 . . . . . . . . 5627 1 2049 . 1 1 186 186 ILE CG2 C 13 17.30 0.2 . 1 . . . . . . . . 5627 1 2050 . 1 1 186 186 ILE HD11 H 1 0.61 0.02 . 1 . . . . . . . . 5627 1 2051 . 1 1 186 186 ILE HD12 H 1 0.61 0.02 . 1 . . . . . . . . 5627 1 2052 . 1 1 186 186 ILE HD13 H 1 0.61 0.02 . 1 . . . . . . . . 5627 1 2053 . 1 1 186 186 ILE CD1 C 13 13.70 0.2 . 1 . . . . . . . . 5627 1 2054 . 1 1 187 187 GLU N N 15 117.60 0.1 . 1 . . . . . . . . 5627 1 2055 . 1 1 187 187 GLU H H 1 8.59 0.02 . 1 . . . . . . . . 5627 1 2056 . 1 1 187 187 GLU C C 13 178.45 0.2 . 1 . . . . . . . . 5627 1 2057 . 1 1 187 187 GLU CA C 13 59.63 0.2 . 1 . . . . . . . . 5627 1 2058 . 1 1 187 187 GLU CB C 13 29.16 0.2 . 1 . . . . . . . . 5627 1 2059 . 1 1 187 187 GLU HA H 1 3.93 0.02 . 1 . . . . . . . . 5627 1 2060 . 1 1 187 187 GLU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5627 1 2061 . 1 1 187 187 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5627 1 2062 . 1 1 187 187 GLU HG2 H 1 2.02 0.02 . 2 . . . . . . . . 5627 1 2063 . 1 1 187 187 GLU HG3 H 1 2.14 0.02 . 2 . . . . . . . . 5627 1 2064 . 1 1 188 188 HIS N N 15 119.00 0.1 . 1 . . . . . . . . 5627 1 2065 . 1 1 188 188 HIS H H 1 7.57 0.02 . 1 . . . . . . . . 5627 1 2066 . 1 1 188 188 HIS C C 13 175.72 0.2 . 1 . . . . . . . . 5627 1 2067 . 1 1 188 188 HIS CA C 13 59.40 0.2 . 1 . . . . . . . . 5627 1 2068 . 1 1 188 188 HIS CB C 13 30.30 0.2 . 1 . . . . . . . . 5627 1 2069 . 1 1 188 188 HIS HA H 1 4.29 0.02 . 1 . . . . . . . . 5627 1 2070 . 1 1 188 188 HIS HB2 H 1 3.28 0.02 . 1 . . . . . . . . 5627 1 2071 . 1 1 188 188 HIS HB3 H 1 3.28 0.02 . 1 . . . . . . . . 5627 1 2072 . 1 1 189 189 ILE N N 15 120.00 0.1 . 1 . . . . . . . . 5627 1 2073 . 1 1 189 189 ILE H H 1 7.84 0.02 . 1 . . . . . . . . 5627 1 2074 . 1 1 189 189 ILE HB H 1 1.76 0.02 . 1 . . . . . . . . 5627 1 2075 . 1 1 189 189 ILE HD11 H 1 0.56 0.02 . 1 . . . . . . . . 5627 1 2076 . 1 1 189 189 ILE HD12 H 1 0.56 0.02 . 1 . . . . . . . . 5627 1 2077 . 1 1 189 189 ILE HD13 H 1 0.56 0.02 . 1 . . . . . . . . 5627 1 2078 . 1 1 189 189 ILE CD1 C 13 13.10 0.2 . 1 . . . . . . . . 5627 1 2079 . 1 1 190 190 LYS N N 15 116.40 0.1 . 1 . . . . . . . . 5627 1 2080 . 1 1 190 190 LYS H H 1 8.13 0.02 . 1 . . . . . . . . 5627 1 2081 . 1 1 190 190 LYS HA H 1 4.32 0.02 . 1 . . . . . . . . 5627 1 2082 . 1 1 190 190 LYS HB2 H 1 1.76 0.02 . 2 . . . . . . . . 5627 1 2083 . 1 1 190 190 LYS HB3 H 1 1.83 0.02 . 2 . . . . . . . . 5627 1 2084 . 1 1 190 190 LYS HG2 H 1 1.58 0.02 . 1 . . . . . . . . 5627 1 2085 . 1 1 190 190 LYS HG3 H 1 1.58 0.02 . 1 . . . . . . . . 5627 1 2086 . 1 1 190 190 LYS HD2 H 1 1.41 0.02 . 1 . . . . . . . . 5627 1 2087 . 1 1 190 190 LYS HD3 H 1 1.41 0.02 . 1 . . . . . . . . 5627 1 2088 . 1 1 191 191 LYS N N 15 122.00 0.1 . 1 . . . . . . . . 5627 1 2089 . 1 1 191 191 LYS H H 1 8.17 0.02 . 1 . . . . . . . . 5627 1 2090 . 1 1 191 191 LYS C C 13 178.60 0.2 . 1 . . . . . . . . 5627 1 2091 . 1 1 191 191 LYS CA C 13 59.38 0.2 . 1 . . . . . . . . 5627 1 2092 . 1 1 191 191 LYS CB C 13 32.32 0.2 . 1 . . . . . . . . 5627 1 2093 . 1 1 191 191 LYS HA H 1 4.06 0.02 . 1 . . . . . . . . 5627 1 2094 . 1 1 191 191 LYS HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5627 1 2095 . 1 1 191 191 LYS HB3 H 1 2.08 0.02 . 2 . . . . . . . . 5627 1 2096 . 1 1 191 191 LYS HG2 H 1 1.52 0.02 . 2 . . . . . . . . 5627 1 2097 . 1 1 191 191 LYS HG3 H 1 1.71 0.02 . 2 . . . . . . . . 5627 1 2098 . 1 1 192 192 VAL N N 15 110.80 0.1 . 1 . . . . . . . . 5627 1 2099 . 1 1 192 192 VAL H H 1 7.25 0.02 . 1 . . . . . . . . 5627 1 2100 . 1 1 192 192 VAL C C 13 176.10 0.2 . 1 . . . . . . . . 5627 1 2101 . 1 1 192 192 VAL CA C 13 61.38 0.2 . 1 . . . . . . . . 5627 1 2102 . 1 1 192 192 VAL CB C 13 31.02 0.2 . 1 . . . . . . . . 5627 1 2103 . 1 1 192 192 VAL HA H 1 4.34 0.02 . 1 . . . . . . . . 5627 1 2104 . 1 1 192 192 VAL HB H 1 2.40 0.02 . 1 . . . . . . . . 5627 1 2105 . 1 1 192 192 VAL HG11 H 1 0.83 0.02 . 2 . . . . . . . . 5627 1 2106 . 1 1 192 192 VAL HG12 H 1 0.83 0.02 . 2 . . . . . . . . 5627 1 2107 . 1 1 192 192 VAL HG13 H 1 0.83 0.02 . 2 . . . . . . . . 5627 1 2108 . 1 1 192 192 VAL HG21 H 1 0.85 0.02 . 2 . . . . . . . . 5627 1 2109 . 1 1 192 192 VAL HG22 H 1 0.85 0.02 . 2 . . . . . . . . 5627 1 2110 . 1 1 192 192 VAL HG23 H 1 0.85 0.02 . 2 . . . . . . . . 5627 1 2111 . 1 1 192 192 VAL CG1 C 13 20.90 0.2 . 1 . . . . . . . . 5627 1 2112 . 1 1 192 192 VAL CG2 C 13 18.70 0.2 . 1 . . . . . . . . 5627 1 2113 . 1 1 193 193 GLY N N 15 108.60 0.1 . 1 . . . . . . . . 5627 1 2114 . 1 1 193 193 GLY H H 1 7.65 0.02 . 1 . . . . . . . . 5627 1 2115 . 1 1 193 193 GLY C C 13 173.69 0.2 . 1 . . . . . . . . 5627 1 2116 . 1 1 193 193 GLY CA C 13 45.92 0.2 . 1 . . . . . . . . 5627 1 2117 . 1 1 193 193 GLY HA2 H 1 3.72 0.02 . 2 . . . . . . . . 5627 1 2118 . 1 1 193 193 GLY HA3 H 1 4.29 0.02 . 2 . . . . . . . . 5627 1 2119 . 1 1 194 194 LEU N N 15 119.50 0.1 . 1 . . . . . . . . 5627 1 2120 . 1 1 194 194 LEU H H 1 7.28 0.02 . 1 . . . . . . . . 5627 1 2121 . 1 1 194 194 LEU C C 13 177.20 0.2 . 1 . . . . . . . . 5627 1 2122 . 1 1 194 194 LEU CA C 13 52.94 0.2 . 1 . . . . . . . . 5627 1 2123 . 1 1 194 194 LEU CB C 13 43.51 0.2 . 1 . . . . . . . . 5627 1 2124 . 1 1 194 194 LEU HA H 1 4.75 0.02 . 1 . . . . . . . . 5627 1 2125 . 1 1 194 194 LEU HB2 H 1 1.46 0.02 . 2 . . . . . . . . 5627 1 2126 . 1 1 194 194 LEU HB3 H 1 1.58 0.02 . 2 . . . . . . . . 5627 1 2127 . 1 1 194 194 LEU HG H 1 1.25 0.02 . 1 . . . . . . . . 5627 1 2128 . 1 1 194 194 LEU HD11 H 1 0.44 0.02 . 2 . . . . . . . . 5627 1 2129 . 1 1 194 194 LEU HD12 H 1 0.44 0.02 . 2 . . . . . . . . 5627 1 2130 . 1 1 194 194 LEU HD13 H 1 0.44 0.02 . 2 . . . . . . . . 5627 1 2131 . 1 1 194 194 LEU HD21 H 1 0.43 0.02 . 2 . . . . . . . . 5627 1 2132 . 1 1 194 194 LEU HD22 H 1 0.43 0.02 . 2 . . . . . . . . 5627 1 2133 . 1 1 194 194 LEU HD23 H 1 0.43 0.02 . 2 . . . . . . . . 5627 1 2134 . 1 1 194 194 LEU CD1 C 13 21.70 0.2 . 1 . . . . . . . . 5627 1 2135 . 1 1 194 194 LEU CD2 C 13 26.10 0.2 . 1 . . . . . . . . 5627 1 2136 . 1 1 195 195 GLY N N 15 107.40 0.1 . 1 . . . . . . . . 5627 1 2137 . 1 1 195 195 GLY H H 1 10.00 0.02 . 1 . . . . . . . . 5627 1 2138 . 1 1 195 195 GLY CA C 13 47.56 0.2 . 1 . . . . . . . . 5627 1 2139 . 1 1 195 195 GLY HA2 H 1 3.46 0.02 . 2 . . . . . . . . 5627 1 2140 . 1 1 195 195 GLY HA3 H 1 3.69 0.02 . 2 . . . . . . . . 5627 1 2141 . 1 1 196 196 LYS N N 15 118.80 0.1 . 1 . . . . . . . . 5627 1 2142 . 1 1 196 196 LYS H H 1 7.73 0.02 . 1 . . . . . . . . 5627 1 2143 . 1 1 196 196 LYS C C 13 177.90 0.2 . 1 . . . . . . . . 5627 1 2144 . 1 1 196 196 LYS CA C 13 60.08 0.2 . 1 . . . . . . . . 5627 1 2145 . 1 1 196 196 LYS CB C 13 32.34 0.2 . 1 . . . . . . . . 5627 1 2146 . 1 1 196 196 LYS HA H 1 3.80 0.02 . 1 . . . . . . . . 5627 1 2147 . 1 1 196 196 LYS HB2 H 1 1.27 0.02 . 2 . . . . . . . . 5627 1 2148 . 1 1 196 196 LYS HB3 H 1 1.34 0.02 . 2 . . . . . . . . 5627 1 2149 . 1 1 196 196 LYS HG2 H 1 1.63 0.02 . 1 . . . . . . . . 5627 1 2150 . 1 1 196 196 LYS HG3 H 1 1.63 0.02 . 1 . . . . . . . . 5627 1 2151 . 1 1 197 197 GLY N N 15 105.90 0.1 . 1 . . . . . . . . 5627 1 2152 . 1 1 197 197 GLY H H 1 8.62 0.02 . 1 . . . . . . . . 5627 1 2153 . 1 1 197 197 GLY C C 13 174.62 0.2 . 1 . . . . . . . . 5627 1 2154 . 1 1 197 197 GLY CA C 13 44.62 0.2 . 1 . . . . . . . . 5627 1 2155 . 1 1 197 197 GLY HA2 H 1 3.60 0.02 . 2 . . . . . . . . 5627 1 2156 . 1 1 197 197 GLY HA3 H 1 4.32 0.02 . 2 . . . . . . . . 5627 1 2157 . 1 1 198 198 GLY N N 15 109.10 0.1 . 1 . . . . . . . . 5627 1 2158 . 1 1 198 198 GLY H H 1 7.54 0.02 . 1 . . . . . . . . 5627 1 2159 . 1 1 198 198 GLY C C 13 172.52 0.2 . 1 . . . . . . . . 5627 1 2160 . 1 1 198 198 GLY CA C 13 45.91 0.2 . 1 . . . . . . . . 5627 1 2161 . 1 1 198 198 GLY HA2 H 1 3.23 0.02 . 2 . . . . . . . . 5627 1 2162 . 1 1 198 198 GLY HA3 H 1 4.33 0.02 . 2 . . . . . . . . 5627 1 2163 . 1 1 199 199 SER N N 15 120.50 0.1 . 1 . . . . . . . . 5627 1 2164 . 1 1 199 199 SER H H 1 9.09 0.02 . 1 . . . . . . . . 5627 1 2165 . 1 1 199 199 SER C C 13 177.48 0.2 . 1 . . . . . . . . 5627 1 2166 . 1 1 199 199 SER CA C 13 57.18 0.2 . 1 . . . . . . . . 5627 1 2167 . 1 1 199 199 SER CB C 13 66.40 0.2 . 1 . . . . . . . . 5627 1 2168 . 1 1 199 199 SER HA H 1 4.43 0.02 . 1 . . . . . . . . 5627 1 2169 . 1 1 199 199 SER HB2 H 1 3.77 0.02 . 2 . . . . . . . . 5627 1 2170 . 1 1 199 199 SER HB3 H 1 4.14 0.02 . 2 . . . . . . . . 5627 1 2171 . 1 1 200 200 LEU HA H 1 4.00 0.02 . 1 . . . . . . . . 5627 1 2172 . 1 1 200 200 LEU HD11 H 1 0.94 0.02 . 2 . . . . . . . . 5627 1 2173 . 1 1 200 200 LEU HD12 H 1 0.94 0.02 . 2 . . . . . . . . 5627 1 2174 . 1 1 200 200 LEU HD13 H 1 0.94 0.02 . 2 . . . . . . . . 5627 1 2175 . 1 1 200 200 LEU HD21 H 1 0.78 0.02 . 2 . . . . . . . . 5627 1 2176 . 1 1 200 200 LEU HD22 H 1 0.78 0.02 . 2 . . . . . . . . 5627 1 2177 . 1 1 200 200 LEU HD23 H 1 0.78 0.02 . 2 . . . . . . . . 5627 1 2178 . 1 1 200 200 LEU CD1 C 13 26.00 0.2 . 1 . . . . . . . . 5627 1 2179 . 1 1 200 200 LEU CD2 C 13 23.30 0.2 . 1 . . . . . . . . 5627 1 2180 . 1 1 201 201 LYS N N 15 115.60 0.1 . 1 . . . . . . . . 5627 1 2181 . 1 1 201 201 LYS H H 1 8.00 0.02 . 1 . . . . . . . . 5627 1 2182 . 1 1 201 201 LYS C C 13 177.35 0.2 . 1 . . . . . . . . 5627 1 2183 . 1 1 201 201 LYS CA C 13 57.05 0.2 . 1 . . . . . . . . 5627 1 2184 . 1 1 201 201 LYS CB C 13 32.35 0.2 . 1 . . . . . . . . 5627 1 2185 . 1 1 201 201 LYS HA H 1 4.16 0.02 . 1 . . . . . . . . 5627 1 2186 . 1 1 201 201 LYS HB2 H 1 1.40 0.02 . 2 . . . . . . . . 5627 1 2187 . 1 1 201 201 LYS HB3 H 1 1.52 0.02 . 2 . . . . . . . . 5627 1 2188 . 1 1 201 201 LYS HG2 H 1 1.81 0.02 . 1 . . . . . . . . 5627 1 2189 . 1 1 201 201 LYS HG3 H 1 1.81 0.02 . 1 . . . . . . . . 5627 1 2190 . 1 1 202 202 ASN N N 15 114.20 0.1 . 1 . . . . . . . . 5627 1 2191 . 1 1 202 202 ASN H H 1 7.25 0.02 . 1 . . . . . . . . 5627 1 2192 . 1 1 202 202 ASN C C 13 170.56 0.2 . 1 . . . . . . . . 5627 1 2193 . 1 1 202 202 ASN CA C 13 52.16 0.2 . 1 . . . . . . . . 5627 1 2194 . 1 1 202 202 ASN CB C 13 41.08 0.2 . 1 . . . . . . . . 5627 1 2195 . 1 1 202 202 ASN HA H 1 4.45 0.02 . 1 . . . . . . . . 5627 1 2196 . 1 1 202 202 ASN HB2 H 1 2.63 0.02 . 2 . . . . . . . . 5627 1 2197 . 1 1 202 202 ASN HB3 H 1 2.85 0.02 . 2 . . . . . . . . 5627 1 2198 . 1 1 203 203 THR N N 15 111.30 0.1 . 1 . . . . . . . . 5627 1 2199 . 1 1 203 203 THR C C 13 173.69 0.2 . 1 . . . . . . . . 5627 1 2200 . 1 1 203 203 THR CA C 13 62.21 0.2 . 1 . . . . . . . . 5627 1 2201 . 1 1 203 203 THR CB C 13 72.15 0.2 . 1 . . . . . . . . 5627 1 2202 . 1 1 203 203 THR H H 1 7.22 0.02 . 1 . . . . . . . . 5627 1 2203 . 1 1 203 203 THR HA H 1 4.27 0.02 . 1 . . . . . . . . 5627 1 2204 . 1 1 203 203 THR HB H 1 3.54 0.02 . 1 . . . . . . . . 5627 1 2205 . 1 1 203 203 THR HG21 H 1 0.73 0.02 . 1 . . . . . . . . 5627 1 2206 . 1 1 203 203 THR HG22 H 1 0.73 0.02 . 1 . . . . . . . . 5627 1 2207 . 1 1 203 203 THR HG23 H 1 0.73 0.02 . 1 . . . . . . . . 5627 1 2208 . 1 1 204 204 LEU N N 15 128.10 0.1 . 1 . . . . . . . . 5627 1 2209 . 1 1 204 204 LEU H H 1 8.79 0.02 . 1 . . . . . . . . 5627 1 2210 . 1 1 204 204 LEU C C 13 173.92 0.2 . 1 . . . . . . . . 5627 1 2211 . 1 1 204 204 LEU CA C 13 54.12 0.2 . 1 . . . . . . . . 5627 1 2212 . 1 1 204 204 LEU CB C 13 42.33 0.2 . 1 . . . . . . . . 5627 1 2213 . 1 1 204 204 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 5627 1 2214 . 1 1 204 204 LEU HB3 H 1 2.77 0.02 . 2 . . . . . . . . 5627 1 2215 . 1 1 204 204 LEU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5627 1 2216 . 1 1 204 204 LEU HG H 1 1.06 0.02 . 1 . . . . . . . . 5627 1 2217 . 1 1 204 204 LEU HD11 H 1 0.78 0.02 . 2 . . . . . . . . 5627 1 2218 . 1 1 204 204 LEU HD12 H 1 0.78 0.02 . 2 . . . . . . . . 5627 1 2219 . 1 1 204 204 LEU HD13 H 1 0.78 0.02 . 2 . . . . . . . . 5627 1 2220 . 1 1 204 204 LEU HD21 H 1 0.69 0.02 . 2 . . . . . . . . 5627 1 2221 . 1 1 204 204 LEU HD22 H 1 0.69 0.02 . 2 . . . . . . . . 5627 1 2222 . 1 1 204 204 LEU HD23 H 1 0.69 0.02 . 2 . . . . . . . . 5627 1 2223 . 1 1 204 204 LEU CD1 C 13 22.70 0.2 . 1 . . . . . . . . 5627 1 2224 . 1 1 204 204 LEU CD2 C 13 25.30 0.2 . 1 . . . . . . . . 5627 1 2225 . 1 1 205 205 VAL N N 15 130.00 0.1 . 1 . . . . . . . . 5627 1 2226 . 1 1 205 205 VAL C C 13 175.25 0.2 . 1 . . . . . . . . 5627 1 2227 . 1 1 205 205 VAL CA C 13 61.63 0.2 . 1 . . . . . . . . 5627 1 2228 . 1 1 205 205 VAL CB C 13 32.66 0.2 . 1 . . . . . . . . 5627 1 2229 . 1 1 205 205 VAL H H 1 9.22 0.02 . 1 . . . . . . . . 5627 1 2230 . 1 1 205 205 VAL HA H 1 4.70 0.02 . 1 . . . . . . . . 5627 1 2231 . 1 1 205 205 VAL HB H 1 1.67 0.02 . 1 . . . . . . . . 5627 1 2232 . 1 1 205 205 VAL HG11 H 1 0.33 0.02 . 2 . . . . . . . . 5627 1 2233 . 1 1 205 205 VAL HG12 H 1 0.33 0.02 . 2 . . . . . . . . 5627 1 2234 . 1 1 205 205 VAL HG13 H 1 0.33 0.02 . 2 . . . . . . . . 5627 1 2235 . 1 1 205 205 VAL HG21 H 1 0.61 0.02 . 2 . . . . . . . . 5627 1 2236 . 1 1 205 205 VAL HG22 H 1 0.61 0.02 . 2 . . . . . . . . 5627 1 2237 . 1 1 205 205 VAL HG23 H 1 0.61 0.02 . 2 . . . . . . . . 5627 1 2238 . 1 1 205 205 VAL CG1 C 13 20.70 0.2 . 1 . . . . . . . . 5627 1 2239 . 1 1 205 205 VAL CG2 C 13 21.70 0.2 . 1 . . . . . . . . 5627 1 2240 . 1 1 206 206 LEU N N 15 127.30 0.1 . 1 . . . . . . . . 5627 1 2241 . 1 1 206 206 LEU H H 1 8.54 0.02 . 1 . . . . . . . . 5627 1 2242 . 1 1 206 206 LEU C C 13 176.10 0.2 . 1 . . . . . . . . 5627 1 2243 . 1 1 206 206 LEU CA C 13 53.99 0.2 . 1 . . . . . . . . 5627 1 2244 . 1 1 206 206 LEU CB C 13 45.39 0.2 . 1 . . . . . . . . 5627 1 2245 . 1 1 206 206 LEU HA H 1 5.00 0.02 . 1 . . . . . . . . 5627 1 2246 . 1 1 206 206 LEU HB2 H 1 1.48 0.02 . 2 . . . . . . . . 5627 1 2247 . 1 1 206 206 LEU HB3 H 1 1.60 0.02 . 2 . . . . . . . . 5627 1 2248 . 1 1 206 206 LEU HG H 1 1.09 0.02 . 1 . . . . . . . . 5627 1 2249 . 1 1 206 206 LEU HD11 H 1 0.32 0.02 . 2 . . . . . . . . 5627 1 2250 . 1 1 206 206 LEU HD12 H 1 0.32 0.02 . 2 . . . . . . . . 5627 1 2251 . 1 1 206 206 LEU HD13 H 1 0.32 0.02 . 2 . . . . . . . . 5627 1 2252 . 1 1 206 206 LEU HD21 H 1 0.86 0.02 . 2 . . . . . . . . 5627 1 2253 . 1 1 206 206 LEU HD22 H 1 0.86 0.02 . 2 . . . . . . . . 5627 1 2254 . 1 1 206 206 LEU HD23 H 1 0.86 0.02 . 2 . . . . . . . . 5627 1 2255 . 1 1 206 206 LEU CD1 C 13 26.30 0.2 . 1 . . . . . . . . 5627 1 2256 . 1 1 206 206 LEU CD2 C 13 25.90 0.2 . 1 . . . . . . . . 5627 1 2257 . 1 1 207 207 GLY N N 15 109.30 0.1 . 1 . . . . . . . . 5627 1 2258 . 1 1 207 207 GLY H H 1 8.94 0.02 . 1 . . . . . . . . 5627 1 2259 . 1 1 207 207 GLY C C 13 178.26 0.2 . 1 . . . . . . . . 5627 1 2260 . 1 1 207 207 GLY CA C 13 43.57 0.2 . 1 . . . . . . . . 5627 1 2261 . 1 1 207 207 GLY HA2 H 1 4.02 0.02 . 2 . . . . . . . . 5627 1 2262 . 1 1 207 207 GLY HA3 H 1 5.39 0.02 . 2 . . . . . . . . 5627 1 2263 . 1 1 208 208 LYS N N 15 118.10 0.1 . 1 . . . . . . . . 5627 1 2264 . 1 1 208 208 LYS H H 1 7.60 0.02 . 1 . . . . . . . . 5627 1 2265 . 1 1 209 209 ASP N N 15 115.60 0.1 . 1 . . . . . . . . 5627 1 2266 . 1 1 209 209 ASP H H 1 8.74 0.02 . 1 . . . . . . . . 5627 1 2267 . 1 1 209 209 ASP C C 13 174.62 0.2 . 1 . . . . . . . . 5627 1 2268 . 1 1 209 209 ASP CA C 13 53.56 0.2 . 1 . . . . . . . . 5627 1 2269 . 1 1 209 209 ASP CB C 13 42.49 0.2 . 1 . . . . . . . . 5627 1 2270 . 1 1 209 209 ASP HA H 1 4.86 0.02 . 1 . . . . . . . . 5627 1 2271 . 1 1 209 209 ASP HB2 H 1 2.63 0.02 . 2 . . . . . . . . 5627 1 2272 . 1 1 209 209 ASP HB3 H 1 2.74 0.02 . 2 . . . . . . . . 5627 1 2273 . 1 1 210 210 LYS N N 15 114.70 0.1 . 1 . . . . . . . . 5627 1 2274 . 1 1 210 210 LYS H H 1 7.07 0.02 . 1 . . . . . . . . 5627 1 2275 . 1 1 210 210 LYS C C 13 173.92 0.2 . 1 . . . . . . . . 5627 1 2276 . 1 1 210 210 LYS CA C 13 54.83 0.2 . 1 . . . . . . . . 5627 1 2277 . 1 1 210 210 LYS CB C 13 35.33 0.2 . 1 . . . . . . . . 5627 1 2278 . 1 1 210 210 LYS HA H 1 4.46 0.02 . 1 . . . . . . . . 5627 1 2279 . 1 1 210 210 LYS HB2 H 1 1.64 0.02 . 1 . . . . . . . . 5627 1 2280 . 1 1 210 210 LYS HB3 H 1 1.64 0.02 . 1 . . . . . . . . 5627 1 2281 . 1 1 210 210 LYS HG2 H 1 1.55 0.02 . 1 . . . . . . . . 5627 1 2282 . 1 1 210 210 LYS HG3 H 1 1.55 0.02 . 1 . . . . . . . . 5627 1 2283 . 1 1 211 211 VAL N N 15 121.00 0.1 . 1 . . . . . . . . 5627 1 2284 . 1 1 211 211 VAL H H 1 8.42 0.02 . 1 . . . . . . . . 5627 1 2285 . 1 1 211 211 VAL C C 13 175.81 0.2 . 1 . . . . . . . . 5627 1 2286 . 1 1 211 211 VAL CA C 13 61.50 0.2 . 1 . . . . . . . . 5627 1 2287 . 1 1 211 211 VAL CB C 13 33.61 0.2 . 1 . . . . . . . . 5627 1 2288 . 1 1 211 211 VAL HA H 1 4.55 0.02 . 1 . . . . . . . . 5627 1 2289 . 1 1 211 211 VAL HB H 1 2.15 0.02 . 1 . . . . . . . . 5627 1 2290 . 1 1 211 211 VAL HG11 H 1 1.07 0.02 . 2 . . . . . . . . 5627 1 2291 . 1 1 211 211 VAL HG12 H 1 1.07 0.02 . 2 . . . . . . . . 5627 1 2292 . 1 1 211 211 VAL HG13 H 1 1.07 0.02 . 2 . . . . . . . . 5627 1 2293 . 1 1 211 211 VAL HG21 H 1 1.10 0.02 . 2 . . . . . . . . 5627 1 2294 . 1 1 211 211 VAL HG22 H 1 1.10 0.02 . 2 . . . . . . . . 5627 1 2295 . 1 1 211 211 VAL HG23 H 1 1.10 0.02 . 2 . . . . . . . . 5627 1 2296 . 1 1 211 211 VAL CG1 C 13 21.60 0.2 . 1 . . . . . . . . 5627 1 2297 . 1 1 211 211 VAL CG2 C 13 21.70 0.2 . 1 . . . . . . . . 5627 1 2298 . 1 1 212 212 TYR N N 15 125.10 0.1 . 1 . . . . . . . . 5627 1 2299 . 1 1 212 212 TYR H H 1 9.01 0.02 . 1 . . . . . . . . 5627 1 2300 . 1 1 212 212 TYR C C 13 176.53 0.2 . 1 . . . . . . . . 5627 1 2301 . 1 1 212 212 TYR CA C 13 61.39 0.2 . 1 . . . . . . . . 5627 1 2302 . 1 1 212 212 TYR CB C 13 38.74 0.2 . 1 . . . . . . . . 5627 1 2303 . 1 1 212 212 TYR HA H 1 4.04 0.02 . 1 . . . . . . . . 5627 1 2304 . 1 1 212 212 TYR HB2 H 1 2.77 0.02 . 2 . . . . . . . . 5627 1 2305 . 1 1 212 212 TYR HB3 H 1 2.97 0.02 . 2 . . . . . . . . 5627 1 2306 . 1 1 212 212 TYR HD1 H 1 7.09 0.02 . 1 . . . . . . . . 5627 1 2307 . 1 1 212 212 TYR HD2 H 1 7.09 0.02 . 1 . . . . . . . . 5627 1 2308 . 1 1 212 212 TYR HE1 H 1 6.76 0.02 . 1 . . . . . . . . 5627 1 2309 . 1 1 212 212 TYR HE2 H 1 6.76 0.02 . 1 . . . . . . . . 5627 1 2310 . 1 1 213 213 ASN N N 15 118.30 0.1 . 1 . . . . . . . . 5627 1 2311 . 1 1 213 213 ASN H H 1 8.40 0.02 . 1 . . . . . . . . 5627 1 2312 . 1 1 213 213 ASN C C 13 177.43 0.2 . 1 . . . . . . . . 5627 1 2313 . 1 1 213 213 ASN CA C 13 53.17 0.2 . 1 . . . . . . . . 5627 1 2314 . 1 1 213 213 ASN CB C 13 36.40 0.2 . 1 . . . . . . . . 5627 1 2315 . 1 1 213 213 ASN HA H 1 4.53 0.02 . 1 . . . . . . . . 5627 1 2316 . 1 1 213 213 ASN HB2 H 1 2.09 0.02 . 2 . . . . . . . . 5627 1 2317 . 1 1 213 213 ASN HB3 H 1 3.05 0.02 . 2 . . . . . . . . 5627 1 2318 . 1 1 214 214 PRO C C 13 177.43 0.2 . 1 . . . . . . . . 5627 1 2319 . 1 1 214 214 PRO CA C 13 65.39 0.2 . 1 . . . . . . . . 5627 1 2320 . 1 1 214 214 PRO CB C 13 31.01 0.2 . 1 . . . . . . . . 5627 1 2321 . 1 1 214 214 PRO HA H 1 4.25 0.02 . 1 . . . . . . . . 5627 1 2322 . 1 1 214 214 PRO HB2 H 1 2.39 0.02 . 1 . . . . . . . . 5627 1 2323 . 1 1 214 214 PRO HB3 H 1 2.39 0.02 . 1 . . . . . . . . 5627 1 2324 . 1 1 214 214 PRO HG2 H 1 1.99 0.02 . 1 . . . . . . . . 5627 1 2325 . 1 1 214 214 PRO HG3 H 1 1.99 0.02 . 1 . . . . . . . . 5627 1 2326 . 1 1 214 214 PRO HD2 H 1 4.04 0.02 . 1 . . . . . . . . 5627 1 2327 . 1 1 214 214 PRO HD3 H 1 4.04 0.02 . 1 . . . . . . . . 5627 1 2328 . 1 1 215 215 GLU N N 15 116.80 0.1 . 1 . . . . . . . . 5627 1 2329 . 1 1 215 215 GLU H H 1 9.69 0.02 . 1 . . . . . . . . 5627 1 2330 . 1 1 215 215 GLU C C 13 176.97 0.2 . 1 . . . . . . . . 5627 1 2331 . 1 1 215 215 GLU CA C 13 56.69 0.2 . 1 . . . . . . . . 5627 1 2332 . 1 1 215 215 GLU CB C 13 27.74 0.2 . 1 . . . . . . . . 5627 1 2333 . 1 1 215 215 GLU HA H 1 4.26 0.02 . 1 . . . . . . . . 5627 1 2334 . 1 1 215 215 GLU HB2 H 1 2.00 0.02 . 1 . . . . . . . . 5627 1 2335 . 1 1 215 215 GLU HB3 H 1 2.00 0.02 . 1 . . . . . . . . 5627 1 2336 . 1 1 215 215 GLU HG2 H 1 2.12 0.02 . 1 . . . . . . . . 5627 1 2337 . 1 1 215 215 GLU HG3 H 1 2.12 0.02 . 1 . . . . . . . . 5627 1 2338 . 1 1 216 216 GLY N N 15 108.50 0.1 . 1 . . . . . . . . 5627 1 2339 . 1 1 216 216 GLY H H 1 7.66 0.02 . 1 . . . . . . . . 5627 1 2340 . 1 1 216 216 GLY C C 13 179.05 0.2 . 1 . . . . . . . . 5627 1 2341 . 1 1 216 216 GLY CA C 13 45.09 0.2 . 1 . . . . . . . . 5627 1 2342 . 1 1 216 216 GLY HA2 H 1 3.45 0.02 . 2 . . . . . . . . 5627 1 2343 . 1 1 216 216 GLY HA3 H 1 4.09 0.02 . 2 . . . . . . . . 5627 1 2344 . 1 1 217 217 LEU N N 15 119.50 0.1 . 1 . . . . . . . . 5627 1 2345 . 1 1 217 217 LEU H H 1 8.20 0.02 . 1 . . . . . . . . 5627 1 2346 . 1 1 217 217 LEU C C 13 178.45 0.2 . 1 . . . . . . . . 5627 1 2347 . 1 1 217 217 LEU CA C 13 55.18 0.2 . 1 . . . . . . . . 5627 1 2348 . 1 1 217 217 LEU CB C 13 43.03 0.2 . 1 . . . . . . . . 5627 1 2349 . 1 1 217 217 LEU HA H 1 4.03 0.02 . 1 . . . . . . . . 5627 1 2350 . 1 1 217 217 LEU HB2 H 1 1.94 0.02 . 1 . . . . . . . . 5627 1 2351 . 1 1 217 217 LEU HB3 H 1 1.94 0.02 . 1 . . . . . . . . 5627 1 2352 . 1 1 217 217 LEU HG H 1 1.50 0.02 . 1 . . . . . . . . 5627 1 2353 . 1 1 217 217 LEU HD11 H 1 1.05 0.02 . 2 . . . . . . . . 5627 1 2354 . 1 1 217 217 LEU HD12 H 1 1.05 0.02 . 2 . . . . . . . . 5627 1 2355 . 1 1 217 217 LEU HD13 H 1 1.05 0.02 . 2 . . . . . . . . 5627 1 2356 . 1 1 217 217 LEU HD21 H 1 1.02 0.02 . 2 . . . . . . . . 5627 1 2357 . 1 1 217 217 LEU HD22 H 1 1.02 0.02 . 2 . . . . . . . . 5627 1 2358 . 1 1 217 217 LEU HD23 H 1 1.02 0.02 . 2 . . . . . . . . 5627 1 2359 . 1 1 217 217 LEU CD1 C 13 26.00 0.2 . 1 . . . . . . . . 5627 1 2360 . 1 1 217 217 LEU CD2 C 13 25.60 0.2 . 1 . . . . . . . . 5627 1 2361 . 1 1 218 218 ARG N N 15 121.80 0.1 . 1 . . . . . . . . 5627 1 2362 . 1 1 218 218 ARG H H 1 9.26 0.02 . 1 . . . . . . . . 5627 1 2363 . 1 1 218 218 ARG C C 13 175.48 0.2 . 1 . . . . . . . . 5627 1 2364 . 1 1 218 218 ARG CA C 13 58.12 0.2 . 1 . . . . . . . . 5627 1 2365 . 1 1 218 218 ARG CB C 13 31.40 0.2 . 1 . . . . . . . . 5627 1 2366 . 1 1 218 218 ARG HA H 1 3.81 0.02 . 1 . . . . . . . . 5627 1 2367 . 1 1 218 218 ARG HB2 H 1 1.75 0.02 . 1 . . . . . . . . 5627 1 2368 . 1 1 218 218 ARG HB3 H 1 1.75 0.02 . 1 . . . . . . . . 5627 1 2369 . 1 1 218 218 ARG HG2 H 1 1.39 0.02 . 1 . . . . . . . . 5627 1 2370 . 1 1 218 218 ARG HG3 H 1 1.39 0.02 . 1 . . . . . . . . 5627 1 2371 . 1 1 219 219 TYR N N 15 110.20 0.1 . 1 . . . . . . . . 5627 1 2372 . 1 1 219 219 TYR H H 1 7.00 0.02 . 1 . . . . . . . . 5627 1 2373 . 1 1 219 219 TYR C C 13 174.94 0.2 . 1 . . . . . . . . 5627 1 2374 . 1 1 219 219 TYR CA C 13 54.72 0.2 . 1 . . . . . . . . 5627 1 2375 . 1 1 219 219 TYR CB C 13 42.95 0.2 . 1 . . . . . . . . 5627 1 2376 . 1 1 219 219 TYR HA H 1 4.69 0.02 . 1 . . . . . . . . 5627 1 2377 . 1 1 219 219 TYR HB2 H 1 2.52 0.02 . 2 . . . . . . . . 5627 1 2378 . 1 1 219 219 TYR HB3 H 1 3.14 0.02 . 2 . . . . . . . . 5627 1 2379 . 1 1 219 219 TYR HD1 H 1 6.73 0.02 . 1 . . . . . . . . 5627 1 2380 . 1 1 219 219 TYR HD2 H 1 6.73 0.02 . 1 . . . . . . . . 5627 1 2381 . 1 1 219 219 TYR HE1 H 1 6.41 0.02 . 1 . . . . . . . . 5627 1 2382 . 1 1 219 219 TYR HE2 H 1 6.41 0.02 . 1 . . . . . . . . 5627 1 2383 . 1 1 220 220 GLU N N 15 121.90 0.1 . 1 . . . . . . . . 5627 1 2384 . 1 1 220 220 GLU H H 1 7.76 0.02 . 1 . . . . . . . . 5627 1 2385 . 1 1 220 220 GLU HA H 1 4.78 0.02 . 1 . . . . . . . . 5627 1 2386 . 1 1 220 220 GLU HB2 H 1 2.32 0.02 . 1 . . . . . . . . 5627 1 2387 . 1 1 220 220 GLU HB3 H 1 2.32 0.02 . 1 . . . . . . . . 5627 1 2388 . 1 1 221 221 ASN N N 15 111.20 0.1 . 1 . . . . . . . . 5627 1 2389 . 1 1 221 221 ASN H H 1 7.58 0.02 . 1 . . . . . . . . 5627 1 2390 . 1 1 221 221 ASN C C 13 176.11 0.2 . 1 . . . . . . . . 5627 1 2391 . 1 1 221 221 ASN CA C 13 49.69 0.2 . 1 . . . . . . . . 5627 1 2392 . 1 1 221 221 ASN CB C 13 36.40 0.2 . 1 . . . . . . . . 5627 1 2393 . 1 1 221 221 ASN HA H 1 5.11 0.02 . 1 . . . . . . . . 5627 1 2394 . 1 1 221 221 ASN HB2 H 1 2.80 0.02 . 2 . . . . . . . . 5627 1 2395 . 1 1 221 221 ASN HB3 H 1 3.02 0.02 . 2 . . . . . . . . 5627 1 2396 . 1 1 222 222 GLU N N 15 118.30 0.1 . 1 . . . . . . . . 5627 1 2397 . 1 1 222 222 GLU H H 1 7.25 0.02 . 1 . . . . . . . . 5627 1 2398 . 1 1 222 222 GLU C C 13 178.06 0.2 . 1 . . . . . . . . 5627 1 2399 . 1 1 222 222 GLU CA C 13 62.79 0.2 . 1 . . . . . . . . 5627 1 2400 . 1 1 222 222 GLU CB C 13 28.20 0.2 . 1 . . . . . . . . 5627 1 2401 . 1 1 222 222 GLU HA H 1 3.64 0.02 . 1 . . . . . . . . 5627 1 2402 . 1 1 222 222 GLU HB2 H 1 1.89 0.02 . 1 . . . . . . . . 5627 1 2403 . 1 1 222 222 GLU HB3 H 1 1.89 0.02 . 1 . . . . . . . . 5627 1 2404 . 1 1 222 222 GLU HG2 H 1 2.53 0.02 . 1 . . . . . . . . 5627 1 2405 . 1 1 222 222 GLU HG3 H 1 2.53 0.02 . 1 . . . . . . . . 5627 1 2406 . 1 1 223 223 PRO C C 13 178.06 0.2 . 1 . . . . . . . . 5627 1 2407 . 1 1 223 223 PRO CA C 13 67.20 0.2 . 1 . . . . . . . . 5627 1 2408 . 1 1 223 223 PRO CB C 13 28.90 0.2 . 1 . . . . . . . . 5627 1 2409 . 1 1 223 223 PRO HA H 1 3.60 0.02 . 1 . . . . . . . . 5627 1 2410 . 1 1 223 223 PRO HB2 H 1 1.21 0.02 . 1 . . . . . . . . 5627 1 2411 . 1 1 223 223 PRO HB3 H 1 1.21 0.02 . 1 . . . . . . . . 5627 1 2412 . 1 1 223 223 PRO HD2 H 1 3.13 0.02 . 2 . . . . . . . . 5627 1 2413 . 1 1 223 223 PRO HD3 H 1 3.31 0.02 . 2 . . . . . . . . 5627 1 2414 . 1 1 224 224 VAL C C 13 177.91 0.2 . 1 . . . . . . . . 5627 1 2415 . 1 1 224 224 VAL CA C 13 65.50 0.2 . 1 . . . . . . . . 5627 1 2416 . 1 1 224 224 VAL CB C 13 31.70 0.2 . 1 . . . . . . . . 5627 1 2417 . 1 1 224 224 VAL N N 15 108.50 0.1 . 1 . . . . . . . . 5627 1 2418 . 1 1 224 224 VAL H H 1 6.69 0.02 . 1 . . . . . . . . 5627 1 2419 . 1 1 224 224 VAL HA H 1 3.79 0.02 . 1 . . . . . . . . 5627 1 2420 . 1 1 224 224 VAL HB H 1 2.31 0.02 . 1 . . . . . . . . 5627 1 2421 . 1 1 224 224 VAL HG11 H 1 1.30 0.02 . 2 . . . . . . . . 5627 1 2422 . 1 1 224 224 VAL HG12 H 1 1.30 0.02 . 2 . . . . . . . . 5627 1 2423 . 1 1 224 224 VAL HG13 H 1 1.30 0.02 . 2 . . . . . . . . 5627 1 2424 . 1 1 224 224 VAL HG21 H 1 1.15 0.02 . 2 . . . . . . . . 5627 1 2425 . 1 1 224 224 VAL HG22 H 1 1.15 0.02 . 2 . . . . . . . . 5627 1 2426 . 1 1 224 224 VAL HG23 H 1 1.15 0.02 . 2 . . . . . . . . 5627 1 2427 . 1 1 224 224 VAL CG1 C 13 23.60 0.2 . 1 . . . . . . . . 5627 1 2428 . 1 1 224 224 VAL CG2 C 13 22.00 0.2 . 1 . . . . . . . . 5627 1 2429 . 1 1 225 225 ARG N N 15 119.80 0.1 . 1 . . . . . . . . 5627 1 2430 . 1 1 225 225 ARG H H 1 7.03 0.02 . 1 . . . . . . . . 5627 1 2431 . 1 1 225 225 ARG C C 13 178.06 0.2 . 1 . . . . . . . . 5627 1 2432 . 1 1 225 225 ARG CA C 13 59.75 0.2 . 1 . . . . . . . . 5627 1 2433 . 1 1 225 225 ARG CB C 13 29.77 0.2 . 1 . . . . . . . . 5627 1 2434 . 1 1 225 225 ARG HA H 1 3.59 0.02 . 1 . . . . . . . . 5627 1 2435 . 1 1 225 225 ARG HB2 H 1 1.44 0.02 . 1 . . . . . . . . 5627 1 2436 . 1 1 225 225 ARG HB3 H 1 1.44 0.02 . 1 . . . . . . . . 5627 1 2437 . 1 1 225 225 ARG HG2 H 1 1.20 0.02 . 1 . . . . . . . . 5627 1 2438 . 1 1 225 225 ARG HG3 H 1 1.20 0.02 . 1 . . . . . . . . 5627 1 2439 . 1 1 226 226 HIS N N 15 118.10 0.1 . 1 . . . . . . . . 5627 1 2440 . 1 1 226 226 HIS H H 1 8.05 0.02 . 1 . . . . . . . . 5627 1 2441 . 1 1 226 226 HIS CA C 13 60.47 0.2 . 1 . . . . . . . . 5627 1 2442 . 1 1 226 226 HIS CB C 13 28.43 0.2 . 1 . . . . . . . . 5627 1 2443 . 1 1 226 226 HIS HA H 1 3.64 0.02 . 1 . . . . . . . . 5627 1 2444 . 1 1 226 226 HIS HB2 H 1 2.76 0.02 . 2 . . . . . . . . 5627 1 2445 . 1 1 226 226 HIS HB3 H 1 3.34 0.02 . 2 . . . . . . . . 5627 1 2446 . 1 1 226 226 HIS HE1 H 1 7.41 0.02 . 3 . . . . . . . . 5627 1 2447 . 1 1 227 227 LYS N N 15 117.60 0.1 . 1 . . . . . . . . 5627 1 2448 . 1 1 227 227 LYS H H 1 7.60 0.02 . 1 . . . . . . . . 5627 1 2449 . 1 1 227 227 LYS C C 13 180.38 0.2 . 1 . . . . . . . . 5627 1 2450 . 1 1 227 227 LYS CA C 13 57.76 0.2 . 1 . . . . . . . . 5627 1 2451 . 1 1 227 227 LYS HA H 1 3.80 0.02 . 1 . . . . . . . . 5627 1 2452 . 1 1 227 227 LYS HB2 H 1 1.30 0.02 . 1 . . . . . . . . 5627 1 2453 . 1 1 227 227 LYS HB3 H 1 1.30 0.02 . 1 . . . . . . . . 5627 1 2454 . 1 1 227 227 LYS HG2 H 1 1.20 0.02 . 1 . . . . . . . . 5627 1 2455 . 1 1 227 227 LYS HG3 H 1 1.20 0.02 . 1 . . . . . . . . 5627 1 2456 . 1 1 227 227 LYS HD2 H 1 1.80 0.02 . 1 . . . . . . . . 5627 1 2457 . 1 1 227 227 LYS HD3 H 1 1.80 0.02 . 1 . . . . . . . . 5627 1 2458 . 1 1 228 228 VAL N N 15 121.20 0.1 . 1 . . . . . . . . 5627 1 2459 . 1 1 228 228 VAL H H 1 7.50 0.02 . 1 . . . . . . . . 5627 1 2460 . 1 1 228 228 VAL CA C 13 67.71 0.2 . 1 . . . . . . . . 5627 1 2461 . 1 1 228 228 VAL HA H 1 3.40 0.02 . 1 . . . . . . . . 5627 1 2462 . 1 1 228 228 VAL HB H 1 2.41 0.02 . 1 . . . . . . . . 5627 1 2463 . 1 1 228 228 VAL HG11 H 1 0.95 0.02 . 2 . . . . . . . . 5627 1 2464 . 1 1 228 228 VAL HG12 H 1 0.95 0.02 . 2 . . . . . . . . 5627 1 2465 . 1 1 228 228 VAL HG13 H 1 0.95 0.02 . 2 . . . . . . . . 5627 1 2466 . 1 1 228 228 VAL HG21 H 1 1.40 0.02 . 2 . . . . . . . . 5627 1 2467 . 1 1 228 228 VAL HG22 H 1 1.40 0.02 . 2 . . . . . . . . 5627 1 2468 . 1 1 228 228 VAL HG23 H 1 1.40 0.02 . 2 . . . . . . . . 5627 1 2469 . 1 1 228 228 VAL CG1 C 13 22.40 0.2 . 1 . . . . . . . . 5627 1 2470 . 1 1 228 228 VAL CG2 C 13 25.90 0.2 . 1 . . . . . . . . 5627 1 2471 . 1 1 229 229 PHE N N 15 121.00 0.1 . 1 . . . . . . . . 5627 1 2472 . 1 1 229 229 PHE H H 1 7.56 0.02 . 1 . . . . . . . . 5627 1 2473 . 1 1 229 229 PHE C C 13 177.28 0.2 . 1 . . . . . . . . 5627 1 2474 . 1 1 229 229 PHE CA C 13 62.08 0.2 . 1 . . . . . . . . 5627 1 2475 . 1 1 229 229 PHE CB C 13 38.52 0.2 . 1 . . . . . . . . 5627 1 2476 . 1 1 229 229 PHE HA H 1 3.64 0.02 . 1 . . . . . . . . 5627 1 2477 . 1 1 229 229 PHE HB2 H 1 2.73 0.02 . 2 . . . . . . . . 5627 1 2478 . 1 1 229 229 PHE HB3 H 1 3.18 0.02 . 2 . . . . . . . . 5627 1 2479 . 1 1 229 229 PHE HD1 H 1 6.59 0.02 . 1 . . . . . . . . 5627 1 2480 . 1 1 229 229 PHE HD2 H 1 6.59 0.02 . 1 . . . . . . . . 5627 1 2481 . 1 1 230 230 ASP N N 15 120.80 0.1 . 1 . . . . . . . . 5627 1 2482 . 1 1 230 230 ASP H H 1 8.67 0.02 . 1 . . . . . . . . 5627 1 2483 . 1 1 230 230 ASP HA H 1 4.04 0.02 . 1 . . . . . . . . 5627 1 2484 . 1 1 230 230 ASP HB2 H 1 2.29 0.02 . 2 . . . . . . . . 5627 1 2485 . 1 1 230 230 ASP HB3 H 1 2.61 0.02 . 2 . . . . . . . . 5627 1 2486 . 1 1 231 231 LEU N N 15 121.20 0.1 . 1 . . . . . . . . 5627 1 2487 . 1 1 231 231 LEU H H 1 7.23 0.02 . 1 . . . . . . . . 5627 1 2488 . 1 1 231 231 LEU HA H 1 4.52 0.02 . 1 . . . . . . . . 5627 1 2489 . 1 1 231 231 LEU HB2 H 1 1.91 0.02 . 1 . . . . . . . . 5627 1 2490 . 1 1 231 231 LEU HB3 H 1 1.91 0.02 . 1 . . . . . . . . 5627 1 2491 . 1 1 231 231 LEU HG H 1 1.27 0.02 . 1 . . . . . . . . 5627 1 2492 . 1 1 231 231 LEU HD11 H 1 0.69 0.02 . 2 . . . . . . . . 5627 1 2493 . 1 1 231 231 LEU HD12 H 1 0.69 0.02 . 2 . . . . . . . . 5627 1 2494 . 1 1 231 231 LEU HD13 H 1 0.69 0.02 . 2 . . . . . . . . 5627 1 2495 . 1 1 231 231 LEU HD21 H 1 0.78 0.02 . 2 . . . . . . . . 5627 1 2496 . 1 1 231 231 LEU HD22 H 1 0.78 0.02 . 2 . . . . . . . . 5627 1 2497 . 1 1 231 231 LEU HD23 H 1 0.78 0.02 . 2 . . . . . . . . 5627 1 2498 . 1 1 231 231 LEU CD1 C 13 24.00 0.2 . 1 . . . . . . . . 5627 1 2499 . 1 1 231 231 LEU CD2 C 13 25.10 0.2 . 1 . . . . . . . . 5627 1 2500 . 1 1 232 232 ILE N N 15 119.30 0.1 . 1 . . . . . . . . 5627 1 2501 . 1 1 232 232 ILE H H 1 7.75 0.02 . 1 . . . . . . . . 5627 1 2502 . 1 1 232 232 ILE C C 13 178.39 0.2 . 1 . . . . . . . . 5627 1 2503 . 1 1 232 232 ILE CA C 13 66.32 0.2 . 1 . . . . . . . . 5627 1 2504 . 1 1 232 232 ILE CB C 13 35.80 0.2 . 1 . . . . . . . . 5627 1 2505 . 1 1 232 232 ILE HA H 1 3.31 0.02 . 1 . . . . . . . . 5627 1 2506 . 1 1 232 232 ILE HB H 1 1.48 0.02 . 1 . . . . . . . . 5627 1 2507 . 1 1 232 232 ILE HG21 H 1 0.50 0.02 . 1 . . . . . . . . 5627 1 2508 . 1 1 232 232 ILE HG22 H 1 0.50 0.02 . 1 . . . . . . . . 5627 1 2509 . 1 1 232 232 ILE HG23 H 1 0.50 0.02 . 1 . . . . . . . . 5627 1 2510 . 1 1 232 232 ILE CG2 C 13 17.30 0.2 . 1 . . . . . . . . 5627 1 2511 . 1 1 232 232 ILE HG12 H 1 0.98 0.02 . 1 . . . . . . . . 5627 1 2512 . 1 1 232 232 ILE HG13 H 1 0.98 0.02 . 1 . . . . . . . . 5627 1 2513 . 1 1 232 232 ILE HD11 H 1 0.13 0.02 . 1 . . . . . . . . 5627 1 2514 . 1 1 232 232 ILE HD12 H 1 0.13 0.02 . 1 . . . . . . . . 5627 1 2515 . 1 1 232 232 ILE HD13 H 1 0.13 0.02 . 1 . . . . . . . . 5627 1 2516 . 1 1 232 232 ILE CD1 C 13 14.90 0.2 . 1 . . . . . . . . 5627 1 2517 . 1 1 233 233 GLY N N 15 109.80 0.1 . 1 . . . . . . . . 5627 1 2518 . 1 1 233 233 GLY H H 1 7.35 0.02 . 1 . . . . . . . . 5627 1 2519 . 1 1 233 233 GLY CA C 13 47.79 0.2 . 1 . . . . . . . . 5627 1 2520 . 1 1 233 233 GLY HA2 H 1 3.47 0.02 . 2 . . . . . . . . 5627 1 2521 . 1 1 233 233 GLY HA3 H 1 4.10 0.02 . 2 . . . . . . . . 5627 1 2522 . 1 1 234 234 ASP N N 15 123.70 0.1 . 1 . . . . . . . . 5627 1 2523 . 1 1 234 234 ASP H H 1 8.10 0.02 . 1 . . . . . . . . 5627 1 2524 . 1 1 234 234 ASP C C 13 178.85 0.2 . 1 . . . . . . . . 5627 1 2525 . 1 1 234 234 ASP CA C 13 57.65 0.2 . 1 . . . . . . . . 5627 1 2526 . 1 1 234 234 ASP HA H 1 4.45 0.02 . 1 . . . . . . . . 5627 1 2527 . 1 1 234 234 ASP HB2 H 1 2.28 0.02 . 2 . . . . . . . . 5627 1 2528 . 1 1 234 234 ASP HB3 H 1 2.44 0.02 . 2 . . . . . . . . 5627 1 2529 . 1 1 235 235 LEU N N 15 117.10 0.1 . 1 . . . . . . . . 5627 1 2530 . 1 1 235 235 LEU H H 1 8.69 0.02 . 1 . . . . . . . . 5627 1 2531 . 1 1 235 235 LEU C C 13 178.08 0.2 . 1 . . . . . . . . 5627 1 2532 . 1 1 235 235 LEU CA C 13 56.94 0.2 . 1 . . . . . . . . 5627 1 2533 . 1 1 235 235 LEU CB C 13 43.30 0.2 . 1 . . . . . . . . 5627 1 2534 . 1 1 235 235 LEU HA H 1 3.78 0.02 . 1 . . . . . . . . 5627 1 2535 . 1 1 235 235 LEU HB2 H 1 1.80 0.02 . 1 . . . . . . . . 5627 1 2536 . 1 1 235 235 LEU HB3 H 1 1.80 0.02 . 1 . . . . . . . . 5627 1 2537 . 1 1 235 235 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 5627 1 2538 . 1 1 235 235 LEU HD11 H 1 -0.18 0.02 . 2 . . . . . . . . 5627 1 2539 . 1 1 235 235 LEU HD12 H 1 -0.18 0.02 . 2 . . . . . . . . 5627 1 2540 . 1 1 235 235 LEU HD13 H 1 -0.18 0.02 . 2 . . . . . . . . 5627 1 2541 . 1 1 235 235 LEU HD21 H 1 0.24 0.02 . 2 . . . . . . . . 5627 1 2542 . 1 1 235 235 LEU HD22 H 1 0.24 0.02 . 2 . . . . . . . . 5627 1 2543 . 1 1 235 235 LEU HD23 H 1 0.24 0.02 . 2 . . . . . . . . 5627 1 2544 . 1 1 235 235 LEU CD1 C 13 24.00 0.2 . 1 . . . . . . . . 5627 1 2545 . 1 1 235 235 LEU CD2 C 13 21.90 0.2 . 1 . . . . . . . . 5627 1 2546 . 1 1 236 236 TYR N N 15 116.80 0.1 . 1 . . . . . . . . 5627 1 2547 . 1 1 236 236 TYR H H 1 7.33 0.02 . 1 . . . . . . . . 5627 1 2548 . 1 1 236 236 TYR C C 13 178.01 0.2 . 1 . . . . . . . . 5627 1 2549 . 1 1 236 236 TYR CA C 13 53.64 0.2 . 1 . . . . . . . . 5627 1 2550 . 1 1 236 236 TYR CB C 13 37.19 0.2 . 1 . . . . . . . . 5627 1 2551 . 1 1 236 236 TYR HA H 1 4.54 0.02 . 1 . . . . . . . . 5627 1 2552 . 1 1 236 236 TYR HB2 H 1 2.69 0.02 . 2 . . . . . . . . 5627 1 2553 . 1 1 236 236 TYR HB3 H 1 2.93 0.02 . 2 . . . . . . . . 5627 1 2554 . 1 1 236 236 TYR HD1 H 1 6.85 0.02 . 1 . . . . . . . . 5627 1 2555 . 1 1 236 236 TYR HD2 H 1 6.85 0.02 . 1 . . . . . . . . 5627 1 2556 . 1 1 236 236 TYR HE1 H 1 6.17 0.02 . 1 . . . . . . . . 5627 1 2557 . 1 1 236 236 TYR HE2 H 1 6.17 0.02 . 1 . . . . . . . . 5627 1 2558 . 1 1 237 237 LEU N N 15 118.30 0.1 . 1 . . . . . . . . 5627 1 2559 . 1 1 237 237 LEU H H 1 7.65 0.02 . 1 . . . . . . . . 5627 1 2560 . 1 1 237 237 LEU C C 13 178.05 0.2 . 1 . . . . . . . . 5627 1 2561 . 1 1 237 237 LEU CA C 13 55.64 0.2 . 1 . . . . . . . . 5627 1 2562 . 1 1 237 237 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 5627 1 2563 . 1 1 237 237 LEU HB2 H 1 2.13 0.02 . 1 . . . . . . . . 5627 1 2564 . 1 1 237 237 LEU HB3 H 1 2.13 0.02 . 1 . . . . . . . . 5627 1 2565 . 1 1 237 237 LEU HG H 1 1.74 0.02 . 1 . . . . . . . . 5627 1 2566 . 1 1 237 237 LEU HD11 H 1 0.42 0.02 . 2 . . . . . . . . 5627 1 2567 . 1 1 237 237 LEU HD12 H 1 0.42 0.02 . 2 . . . . . . . . 5627 1 2568 . 1 1 237 237 LEU HD13 H 1 0.42 0.02 . 2 . . . . . . . . 5627 1 2569 . 1 1 237 237 LEU HD21 H 1 0.87 0.02 . 2 . . . . . . . . 5627 1 2570 . 1 1 237 237 LEU HD22 H 1 0.87 0.02 . 2 . . . . . . . . 5627 1 2571 . 1 1 237 237 LEU HD23 H 1 0.87 0.02 . 2 . . . . . . . . 5627 1 2572 . 1 1 237 237 LEU CD1 C 13 21.80 0.2 . 1 . . . . . . . . 5627 1 2573 . 1 1 237 237 LEU CD2 C 13 26.70 0.2 . 1 . . . . . . . . 5627 1 2574 . 1 1 238 238 LEU N N 15 120.00 0.1 . 1 . . . . . . . . 5627 1 2575 . 1 1 238 238 LEU H H 1 7.85 0.02 . 1 . . . . . . . . 5627 1 2576 . 1 1 238 238 LEU C C 13 179.22 0.2 . 1 . . . . . . . . 5627 1 2577 . 1 1 238 238 LEU CA C 13 57.41 0.2 . 1 . . . . . . . . 5627 1 2578 . 1 1 238 238 LEU CB C 13 42.10 0.2 . 1 . . . . . . . . 5627 1 2579 . 1 1 238 238 LEU HA H 1 4.12 0.02 . 1 . . . . . . . . 5627 1 2580 . 1 1 238 238 LEU HB2 H 1 1.79 0.02 . 1 . . . . . . . . 5627 1 2581 . 1 1 238 238 LEU HB3 H 1 1.79 0.02 . 1 . . . . . . . . 5627 1 2582 . 1 1 238 238 LEU HG H 1 1.53 0.02 . 1 . . . . . . . . 5627 1 2583 . 1 1 238 238 LEU HD11 H 1 0.40 0.02 . 2 . . . . . . . . 5627 1 2584 . 1 1 238 238 LEU HD12 H 1 0.40 0.02 . 2 . . . . . . . . 5627 1 2585 . 1 1 238 238 LEU HD13 H 1 0.40 0.02 . 2 . . . . . . . . 5627 1 2586 . 1 1 238 238 LEU HD21 H 1 0.41 0.02 . 2 . . . . . . . . 5627 1 2587 . 1 1 238 238 LEU HD22 H 1 0.41 0.02 . 2 . . . . . . . . 5627 1 2588 . 1 1 238 238 LEU HD23 H 1 0.41 0.02 . 2 . . . . . . . . 5627 1 2589 . 1 1 238 238 LEU CD1 C 13 24.40 0.2 . 1 . . . . . . . . 5627 1 2590 . 1 1 238 238 LEU CD2 C 13 23.30 0.2 . 1 . . . . . . . . 5627 1 2591 . 1 1 239 239 GLY N N 15 105.90 0.1 . 1 . . . . . . . . 5627 1 2592 . 1 1 239 239 GLY H H 1 8.17 0.02 . 1 . . . . . . . . 5627 1 2593 . 1 1 239 239 GLY C C 13 172.43 0.2 . 1 . . . . . . . . 5627 1 2594 . 1 1 239 239 GLY CA C 13 45.22 0.2 . 1 . . . . . . . . 5627 1 2595 . 1 1 239 239 GLY HA2 H 1 3.74 0.02 . 2 . . . . . . . . 5627 1 2596 . 1 1 239 239 GLY HA3 H 1 4.20 0.02 . 2 . . . . . . . . 5627 1 2597 . 1 1 240 240 SER N N 15 113.90 0.1 . 1 . . . . . . . . 5627 1 2598 . 1 1 240 240 SER H H 1 7.39 0.02 . 1 . . . . . . . . 5627 1 2599 . 1 1 240 240 SER C C 13 175.01 0.2 . 1 . . . . . . . . 5627 1 2600 . 1 1 240 240 SER CA C 13 56.23 0.2 . 1 . . . . . . . . 5627 1 2601 . 1 1 240 240 SER CB C 13 66.41 0.2 . 1 . . . . . . . . 5627 1 2602 . 1 1 240 240 SER HA H 1 4.95 0.02 . 1 . . . . . . . . 5627 1 2603 . 1 1 240 240 SER HB2 H 1 3.63 0.02 . 2 . . . . . . . . 5627 1 2604 . 1 1 240 240 SER HB3 H 1 4.13 0.02 . 2 . . . . . . . . 5627 1 2605 . 1 1 241 241 PRO C C 13 175.01 0.2 . 1 . . . . . . . . 5627 1 2606 . 1 1 241 241 PRO CA C 13 63.08 0.2 . 1 . . . . . . . . 5627 1 2607 . 1 1 241 241 PRO CB C 13 30.05 0.2 . 1 . . . . . . . . 5627 1 2608 . 1 1 241 241 PRO HA H 1 4.62 0.02 . 1 . . . . . . . . 5627 1 2609 . 1 1 241 241 PRO HB2 H 1 2.61 0.02 . 1 . . . . . . . . 5627 1 2610 . 1 1 241 241 PRO HB3 H 1 2.61 0.02 . 1 . . . . . . . . 5627 1 2611 . 1 1 241 241 PRO HG2 H 1 2.26 0.02 . 1 . . . . . . . . 5627 1 2612 . 1 1 241 241 PRO HG3 H 1 2.26 0.02 . 1 . . . . . . . . 5627 1 2613 . 1 1 241 241 PRO HD2 H 1 3.37 0.02 . 2 . . . . . . . . 5627 1 2614 . 1 1 241 241 PRO HD3 H 1 3.97 0.02 . 2 . . . . . . . . 5627 1 2615 . 1 1 242 242 VAL N N 15 127.60 0.1 . 1 . . . . . . . . 5627 1 2616 . 1 1 242 242 VAL H H 1 10.23 0.02 . 1 . . . . . . . . 5627 1 2617 . 1 1 242 242 VAL C C 13 175.95 0.2 . 1 . . . . . . . . 5627 1 2618 . 1 1 242 242 VAL CA C 13 61.94 0.2 . 1 . . . . . . . . 5627 1 2619 . 1 1 242 242 VAL CB C 13 35.73 0.2 . 1 . . . . . . . . 5627 1 2620 . 1 1 242 242 VAL HA H 1 5.28 0.02 . 1 . . . . . . . . 5627 1 2621 . 1 1 242 242 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 5627 1 2622 . 1 1 242 242 VAL HG11 H 1 1.18 0.02 . 2 . . . . . . . . 5627 1 2623 . 1 1 242 242 VAL HG12 H 1 1.18 0.02 . 2 . . . . . . . . 5627 1 2624 . 1 1 242 242 VAL HG13 H 1 1.18 0.02 . 2 . . . . . . . . 5627 1 2625 . 1 1 242 242 VAL HG21 H 1 1.25 0.02 . 2 . . . . . . . . 5627 1 2626 . 1 1 242 242 VAL HG22 H 1 1.25 0.02 . 2 . . . . . . . . 5627 1 2627 . 1 1 242 242 VAL HG23 H 1 1.25 0.02 . 2 . . . . . . . . 5627 1 2628 . 1 1 242 242 VAL CG1 C 13 22.20 0.2 . 1 . . . . . . . . 5627 1 2629 . 1 1 242 242 VAL CG2 C 13 23.90 0.2 . 1 . . . . . . . . 5627 1 2630 . 1 1 243 243 LYS N N 15 122.00 0.1 . 1 . . . . . . . . 5627 1 2631 . 1 1 243 243 LYS H H 1 8.90 0.02 . 1 . . . . . . . . 5627 1 2632 . 1 1 243 243 LYS C C 13 175.40 0.2 . 1 . . . . . . . . 5627 1 2633 . 1 1 243 243 LYS CA C 13 53.89 0.2 . 1 . . . . . . . . 5627 1 2634 . 1 1 243 243 LYS CB C 13 33.76 0.2 . 1 . . . . . . . . 5627 1 2635 . 1 1 243 243 LYS HA H 1 4.51 0.02 . 1 . . . . . . . . 5627 1 2636 . 1 1 243 243 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 5627 1 2637 . 1 1 243 243 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 5627 1 2638 . 1 1 243 243 LYS HG2 H 1 1.59 0.02 . 1 . . . . . . . . 5627 1 2639 . 1 1 243 243 LYS HG3 H 1 1.59 0.02 . 1 . . . . . . . . 5627 1 2640 . 1 1 244 244 GLY N N 15 109.50 0.1 . 1 . . . . . . . . 5627 1 2641 . 1 1 244 244 GLY H H 1 7.26 0.02 . 1 . . . . . . . . 5627 1 2642 . 1 1 244 244 GLY C C 13 168.51 0.2 . 1 . . . . . . . . 5627 1 2643 . 1 1 244 244 GLY CA C 13 45.22 0.2 . 1 . . . . . . . . 5627 1 2644 . 1 1 244 244 GLY HA2 H 1 3.73 0.02 . 2 . . . . . . . . 5627 1 2645 . 1 1 244 244 GLY HA3 H 1 3.97 0.02 . 2 . . . . . . . . 5627 1 2646 . 1 1 245 245 LYS N N 15 121.00 0.1 . 1 . . . . . . . . 5627 1 2647 . 1 1 245 245 LYS H H 1 8.48 0.02 . 1 . . . . . . . . 5627 1 2648 . 1 1 245 245 LYS C C 13 175.72 0.2 . 1 . . . . . . . . 5627 1 2649 . 1 1 245 245 LYS CA C 13 54.35 0.2 . 1 . . . . . . . . 5627 1 2650 . 1 1 245 245 LYS CB C 13 34.53 0.2 . 1 . . . . . . . . 5627 1 2651 . 1 1 245 245 LYS HA H 1 5.50 0.02 . 1 . . . . . . . . 5627 1 2652 . 1 1 245 245 LYS HB2 H 1 1.51 0.02 . 1 . . . . . . . . 5627 1 2653 . 1 1 245 245 LYS HB3 H 1 1.51 0.02 . 1 . . . . . . . . 5627 1 2654 . 1 1 245 245 LYS HG2 H 1 1.18 0.02 . 1 . . . . . . . . 5627 1 2655 . 1 1 245 245 LYS HG3 H 1 1.18 0.02 . 1 . . . . . . . . 5627 1 2656 . 1 1 246 246 PHE N N 15 123.90 0.1 . 1 . . . . . . . . 5627 1 2657 . 1 1 246 246 PHE H H 1 9.39 0.02 . 1 . . . . . . . . 5627 1 2658 . 1 1 246 246 PHE C C 13 175.25 0.2 . 1 . . . . . . . . 5627 1 2659 . 1 1 246 246 PHE CA C 13 56.71 0.2 . 1 . . . . . . . . 5627 1 2660 . 1 1 246 246 PHE CB C 13 43.17 0.2 . 1 . . . . . . . . 5627 1 2661 . 1 1 246 246 PHE HA H 1 5.65 0.02 . 1 . . . . . . . . 5627 1 2662 . 1 1 246 246 PHE HB2 H 1 2.84 0.02 . 2 . . . . . . . . 5627 1 2663 . 1 1 246 246 PHE HB3 H 1 3.11 0.02 . 2 . . . . . . . . 5627 1 2664 . 1 1 246 246 PHE HD1 H 1 7.22 0.02 . 1 . . . . . . . . 5627 1 2665 . 1 1 246 246 PHE HD2 H 1 7.22 0.02 . 1 . . . . . . . . 5627 1 2666 . 1 1 246 246 PHE HE1 H 1 6.91 0.02 . 1 . . . . . . . . 5627 1 2667 . 1 1 246 246 PHE HE2 H 1 6.91 0.02 . 1 . . . . . . . . 5627 1 2668 . 1 1 246 246 PHE HZ H 1 6.88 0.02 . 1 . . . . . . . . 5627 1 2669 . 1 1 247 247 TYR N N 15 126.40 0.1 . 1 . . . . . . . . 5627 1 2670 . 1 1 247 247 TYR H H 1 9.22 0.02 . 1 . . . . . . . . 5627 1 2671 . 1 1 247 247 TYR C C 13 172.67 0.2 . 1 . . . . . . . . 5627 1 2672 . 1 1 247 247 TYR CA C 13 56.81 0.2 . 1 . . . . . . . . 5627 1 2673 . 1 1 247 247 TYR CB C 13 41.05 0.2 . 1 . . . . . . . . 5627 1 2674 . 1 1 247 247 TYR HA H 1 5.33 0.02 . 1 . . . . . . . . 5627 1 2675 . 1 1 247 247 TYR HB2 H 1 2.72 0.02 . 2 . . . . . . . . 5627 1 2676 . 1 1 247 247 TYR HB3 H 1 3.10 0.02 . 2 . . . . . . . . 5627 1 2677 . 1 1 247 247 TYR HD1 H 1 6.79 0.02 . 1 . . . . . . . . 5627 1 2678 . 1 1 247 247 TYR HD2 H 1 6.79 0.02 . 1 . . . . . . . . 5627 1 2679 . 1 1 247 247 TYR HE1 H 1 6.81 0.02 . 1 . . . . . . . . 5627 1 2680 . 1 1 247 247 TYR HE2 H 1 6.81 0.02 . 1 . . . . . . . . 5627 1 2681 . 1 1 248 248 SER N N 15 122.50 0.1 . 1 . . . . . . . . 5627 1 2682 . 1 1 248 248 SER H H 1 8.43 0.02 . 1 . . . . . . . . 5627 1 2683 . 1 1 248 248 SER C C 13 171.27 0.2 . 1 . . . . . . . . 5627 1 2684 . 1 1 248 248 SER CA C 13 54.74 0.2 . 1 . . . . . . . . 5627 1 2685 . 1 1 248 248 SER CB C 13 65.21 0.2 . 1 . . . . . . . . 5627 1 2686 . 1 1 248 248 SER HA H 1 5.10 0.02 . 1 . . . . . . . . 5627 1 2687 . 1 1 248 248 SER HB2 H 1 3.54 0.02 . 2 . . . . . . . . 5627 1 2688 . 1 1 248 248 SER HB3 H 1 3.80 0.02 . 2 . . . . . . . . 5627 1 2689 . 1 1 249 249 PHE N N 15 128.60 0.1 . 1 . . . . . . . . 5627 1 2690 . 1 1 249 249 PHE H H 1 9.33 0.02 . 1 . . . . . . . . 5627 1 2691 . 1 1 249 249 PHE C C 13 174.62 0.2 . 1 . . . . . . . . 5627 1 2692 . 1 1 249 249 PHE CA C 13 55.31 0.2 . 1 . . . . . . . . 5627 1 2693 . 1 1 249 249 PHE CB C 13 39.44 0.2 . 1 . . . . . . . . 5627 1 2694 . 1 1 249 249 PHE HA H 1 5.04 0.02 . 1 . . . . . . . . 5627 1 2695 . 1 1 249 249 PHE HB2 H 1 3.04 0.02 . 1 . . . . . . . . 5627 1 2696 . 1 1 249 249 PHE HB3 H 1 3.04 0.02 . 1 . . . . . . . . 5627 1 2697 . 1 1 249 249 PHE HD1 H 1 7.16 0.02 . 1 . . . . . . . . 5627 1 2698 . 1 1 249 249 PHE HD2 H 1 7.16 0.02 . 1 . . . . . . . . 5627 1 2699 . 1 1 250 250 ARG N N 15 114.20 0.1 . 1 . . . . . . . . 5627 1 2700 . 1 1 250 250 ARG H H 1 7.78 0.02 . 1 . . . . . . . . 5627 1 2701 . 1 1 250 250 ARG C C 13 176.11 0.2 . 1 . . . . . . . . 5627 1 2702 . 1 1 250 250 ARG CA C 13 57.98 0.2 . 1 . . . . . . . . 5627 1 2703 . 1 1 250 250 ARG CB C 13 27.88 0.2 . 1 . . . . . . . . 5627 1 2704 . 1 1 250 250 ARG HA H 1 3.68 0.02 . 1 . . . . . . . . 5627 1 2705 . 1 1 250 250 ARG HB2 H 1 1.70 0.02 . 2 . . . . . . . . 5627 1 2706 . 1 1 250 250 ARG HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5627 1 2707 . 1 1 250 250 ARG HG2 H 1 1.06 0.02 . 1 . . . . . . . . 5627 1 2708 . 1 1 250 250 ARG HG3 H 1 1.06 0.02 . 1 . . . . . . . . 5627 1 2709 . 1 1 251 251 GLY N N 15 101.50 0.1 . 1 . . . . . . . . 5627 1 2710 . 1 1 251 251 GLY H H 1 6.86 0.02 . 1 . . . . . . . . 5627 1 2711 . 1 1 251 251 GLY C C 13 173.92 0.2 . 1 . . . . . . . . 5627 1 2712 . 1 1 251 251 GLY CA C 13 46.39 0.2 . 1 . . . . . . . . 5627 1 2713 . 1 1 251 251 GLY HA2 H 1 3.81 0.02 . 2 . . . . . . . . 5627 1 2714 . 1 1 251 251 GLY HA3 H 1 4.03 0.02 . 2 . . . . . . . . 5627 1 2715 . 1 1 252 252 GLY N N 15 107.80 0.1 . 1 . . . . . . . . 5627 1 2716 . 1 1 252 252 GLY H H 1 6.78 0.02 . 1 . . . . . . . . 5627 1 2717 . 1 1 252 252 GLY C C 13 177.52 0.2 . 1 . . . . . . . . 5627 1 2718 . 1 1 252 252 GLY CA C 13 44.49 0.2 . 1 . . . . . . . . 5627 1 2719 . 1 1 252 252 GLY HA2 H 1 3.81 0.02 . 2 . . . . . . . . 5627 1 2720 . 1 1 252 252 GLY HA3 H 1 4.06 0.02 . 2 . . . . . . . . 5627 1 2721 . 1 1 253 253 HIS N N 15 119.30 0.1 . 1 . . . . . . . . 5627 1 2722 . 1 1 253 253 HIS H H 1 8.30 0.02 . 1 . . . . . . . . 5627 1 2723 . 1 1 253 253 HIS HA H 1 4.35 0.02 . 1 . . . . . . . . 5627 1 2724 . 1 1 253 253 HIS HB2 H 1 3.11 0.02 . 2 . . . . . . . . 5627 1 2725 . 1 1 253 253 HIS HB3 H 1 3.43 0.02 . 2 . . . . . . . . 5627 1 2726 . 1 1 254 254 SER N N 15 115.60 0.1 . 1 . . . . . . . . 5627 1 2727 . 1 1 254 254 SER H H 1 8.00 0.02 . 1 . . . . . . . . 5627 1 2728 . 1 1 254 254 SER C C 13 176.59 0.2 . 1 . . . . . . . . 5627 1 2729 . 1 1 254 254 SER CA C 13 61.75 0.2 . 1 . . . . . . . . 5627 1 2730 . 1 1 254 254 SER CB C 13 69.89 0.2 . 1 . . . . . . . . 5627 1 2731 . 1 1 254 254 SER HA H 1 4.08 0.02 . 1 . . . . . . . . 5627 1 2732 . 1 1 254 254 SER HB2 H 1 3.67 0.02 . 2 . . . . . . . . 5627 1 2733 . 1 1 254 254 SER HB3 H 1 3.71 0.02 . 2 . . . . . . . . 5627 1 2734 . 1 1 255 255 LEU N N 15 125.40 0.1 . 1 . . . . . . . . 5627 1 2735 . 1 1 255 255 LEU H H 1 7.72 0.02 . 1 . . . . . . . . 5627 1 2736 . 1 1 255 255 LEU CA C 13 57.08 0.2 . 1 . . . . . . . . 5627 1 2737 . 1 1 255 255 LEU CB C 13 42.80 0.2 . 1 . . . . . . . . 5627 1 2738 . 1 1 255 255 LEU HA H 1 4.08 0.02 . 1 . . . . . . . . 5627 1 2739 . 1 1 255 255 LEU HB2 H 1 1.71 0.02 . 1 . . . . . . . . 5627 1 2740 . 1 1 255 255 LEU HB3 H 1 1.71 0.02 . 1 . . . . . . . . 5627 1 2741 . 1 1 255 255 LEU HG H 1 1.53 0.02 . 1 . . . . . . . . 5627 1 2742 . 1 1 255 255 LEU HD11 H 1 0.74 0.02 . 2 . . . . . . . . 5627 1 2743 . 1 1 255 255 LEU HD12 H 1 0.74 0.02 . 2 . . . . . . . . 5627 1 2744 . 1 1 255 255 LEU HD13 H 1 0.74 0.02 . 2 . . . . . . . . 5627 1 2745 . 1 1 255 255 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 5627 1 2746 . 1 1 255 255 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 5627 1 2747 . 1 1 255 255 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 5627 1 2748 . 1 1 255 255 LEU CD1 C 13 27.30 0.2 . 1 . . . . . . . . 5627 1 2749 . 1 1 255 255 LEU CD2 C 13 24.10 0.2 . 1 . . . . . . . . 5627 1 2750 . 1 1 256 256 ASN N N 15 120.00 0.1 . 1 . . . . . . . . 5627 1 2751 . 1 1 256 256 ASN H H 1 8.66 0.02 . 1 . . . . . . . . 5627 1 2752 . 1 1 256 256 ASN C C 13 177.83 0.2 . 1 . . . . . . . . 5627 1 2753 . 1 1 256 256 ASN CA C 13 55.88 0.2 . 1 . . . . . . . . 5627 1 2754 . 1 1 256 256 ASN CB C 13 38.26 0.2 . 1 . . . . . . . . 5627 1 2755 . 1 1 256 256 ASN HA H 1 4.07 0.02 . 1 . . . . . . . . 5627 1 2756 . 1 1 256 256 ASN HB2 H 1 2.33 0.02 . 2 . . . . . . . . 5627 1 2757 . 1 1 256 256 ASN HB3 H 1 3.25 0.02 . 2 . . . . . . . . 5627 1 2758 . 1 1 257 257 VAL N N 15 118.10 0.1 . 1 . . . . . . . . 5627 1 2759 . 1 1 257 257 VAL H H 1 8.50 0.02 . 1 . . . . . . . . 5627 1 2760 . 1 1 257 257 VAL C C 13 176.97 0.2 . 1 . . . . . . . . 5627 1 2761 . 1 1 257 257 VAL CA C 13 66.74 0.2 . 1 . . . . . . . . 5627 1 2762 . 1 1 257 257 VAL CB C 13 31.49 0.2 . 1 . . . . . . . . 5627 1 2763 . 1 1 257 257 VAL HA H 1 3.50 0.02 . 1 . . . . . . . . 5627 1 2764 . 1 1 257 257 VAL HB H 1 2.09 0.02 . 1 . . . . . . . . 5627 1 2765 . 1 1 257 257 VAL HG11 H 1 0.90 0.02 . 2 . . . . . . . . 5627 1 2766 . 1 1 257 257 VAL HG12 H 1 0.90 0.02 . 2 . . . . . . . . 5627 1 2767 . 1 1 257 257 VAL HG13 H 1 0.90 0.02 . 2 . . . . . . . . 5627 1 2768 . 1 1 257 257 VAL HG21 H 1 0.98 0.02 . 2 . . . . . . . . 5627 1 2769 . 1 1 257 257 VAL HG22 H 1 0.98 0.02 . 2 . . . . . . . . 5627 1 2770 . 1 1 257 257 VAL HG23 H 1 0.98 0.02 . 2 . . . . . . . . 5627 1 2771 . 1 1 257 257 VAL CG1 C 13 21.80 0.2 . 1 . . . . . . . . 5627 1 2772 . 1 1 257 257 VAL CG2 C 13 24.40 0.2 . 1 . . . . . . . . 5627 1 2773 . 1 1 258 258 LYS N N 15 123.40 0.1 . 1 . . . . . . . . 5627 1 2774 . 1 1 258 258 LYS H H 1 7.87 0.02 . 1 . . . . . . . . 5627 1 2775 . 1 1 258 258 LYS C C 13 172.89 0.2 . 1 . . . . . . . . 5627 1 2776 . 1 1 258 258 LYS CA C 13 60.67 0.2 . 1 . . . . . . . . 5627 1 2777 . 1 1 258 258 LYS CB C 13 32.56 0.2 . 1 . . . . . . . . 5627 1 2778 . 1 1 258 258 LYS HA H 1 3.91 0.02 . 1 . . . . . . . . 5627 1 2779 . 1 1 258 258 LYS HB2 H 1 2.00 0.02 . 1 . . . . . . . . 5627 1 2780 . 1 1 258 258 LYS HB3 H 1 2.00 0.02 . 1 . . . . . . . . 5627 1 2781 . 1 1 258 258 LYS HG2 H 1 1.59 0.02 . 1 . . . . . . . . 5627 1 2782 . 1 1 258 258 LYS HG3 H 1 1.59 0.02 . 1 . . . . . . . . 5627 1 2783 . 1 1 259 259 LEU N N 15 119.50 0.1 . 1 . . . . . . . . 5627 1 2784 . 1 1 259 259 LEU H H 1 8.21 0.02 . 1 . . . . . . . . 5627 1 2785 . 1 1 259 259 LEU C C 13 178.06 0.2 . 1 . . . . . . . . 5627 1 2786 . 1 1 259 259 LEU CA C 13 58.58 0.2 . 1 . . . . . . . . 5627 1 2787 . 1 1 259 259 LEU CB C 13 40.13 0.2 . 1 . . . . . . . . 5627 1 2788 . 1 1 259 259 LEU HA H 1 3.94 0.02 . 1 . . . . . . . . 5627 1 2789 . 1 1 259 259 LEU HB2 H 1 1.60 0.02 . 1 . . . . . . . . 5627 1 2790 . 1 1 259 259 LEU HB3 H 1 1.60 0.02 . 1 . . . . . . . . 5627 1 2791 . 1 1 259 259 LEU HG H 1 1.05 0.02 . 1 . . . . . . . . 5627 1 2792 . 1 1 259 259 LEU HD11 H 1 0.77 0.02 . 2 . . . . . . . . 5627 1 2793 . 1 1 259 259 LEU HD12 H 1 0.77 0.02 . 2 . . . . . . . . 5627 1 2794 . 1 1 259 259 LEU HD13 H 1 0.77 0.02 . 2 . . . . . . . . 5627 1 2795 . 1 1 259 259 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 5627 1 2796 . 1 1 259 259 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 5627 1 2797 . 1 1 259 259 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 5627 1 2798 . 1 1 259 259 LEU CD1 C 13 25.90 0.2 . 1 . . . . . . . . 5627 1 2799 . 1 1 259 259 LEU CD2 C 13 22.20 0.2 . 1 . . . . . . . . 5627 1 2800 . 1 1 260 260 VAL N N 15 120.30 0.1 . 1 . . . . . . . . 5627 1 2801 . 1 1 260 260 VAL H H 1 7.98 0.02 . 1 . . . . . . . . 5627 1 2802 . 1 1 260 260 VAL C C 13 176.61 0.2 . 1 . . . . . . . . 5627 1 2803 . 1 1 260 260 VAL CA C 13 67.54 0.2 . 1 . . . . . . . . 5627 1 2804 . 1 1 260 260 VAL CB C 13 31.38 0.2 . 1 . . . . . . . . 5627 1 2805 . 1 1 260 260 VAL HA H 1 3.23 0.02 . 1 . . . . . . . . 5627 1 2806 . 1 1 260 260 VAL HB H 1 2.24 0.02 . 1 . . . . . . . . 5627 1 2807 . 1 1 260 260 VAL HG11 H 1 0.63 0.02 . 2 . . . . . . . . 5627 1 2808 . 1 1 260 260 VAL HG12 H 1 0.63 0.02 . 2 . . . . . . . . 5627 1 2809 . 1 1 260 260 VAL HG13 H 1 0.63 0.02 . 2 . . . . . . . . 5627 1 2810 . 1 1 260 260 VAL HG21 H 1 1.02 0.02 . 2 . . . . . . . . 5627 1 2811 . 1 1 260 260 VAL HG22 H 1 1.02 0.02 . 2 . . . . . . . . 5627 1 2812 . 1 1 260 260 VAL HG23 H 1 1.02 0.02 . 2 . . . . . . . . 5627 1 2813 . 1 1 260 260 VAL CG1 C 13 21.10 0.2 . 1 . . . . . . . . 5627 1 2814 . 1 1 260 260 VAL CG2 C 13 23.50 0.2 . 1 . . . . . . . . 5627 1 2815 . 1 1 261 261 LYS N N 15 117.80 0.1 . 1 . . . . . . . . 5627 1 2816 . 1 1 261 261 LYS H H 1 8.35 0.02 . 1 . . . . . . . . 5627 1 2817 . 1 1 261 261 LYS C C 13 179.39 0.2 . 1 . . . . . . . . 5627 1 2818 . 1 1 261 261 LYS CA C 13 60.22 0.2 . 1 . . . . . . . . 5627 1 2819 . 1 1 261 261 LYS CB C 13 32.27 0.2 . 1 . . . . . . . . 5627 1 2820 . 1 1 261 261 LYS HA H 1 3.21 0.02 . 1 . . . . . . . . 5627 1 2821 . 1 1 261 261 LYS HB2 H 1 1.64 0.02 . 2 . . . . . . . . 5627 1 2822 . 1 1 261 261 LYS HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5627 1 2823 . 1 1 261 261 LYS HG2 H 1 1.46 0.02 . 1 . . . . . . . . 5627 1 2824 . 1 1 261 261 LYS HG3 H 1 1.46 0.02 . 1 . . . . . . . . 5627 1 2825 . 1 1 261 261 LYS HD2 H 1 1.14 0.02 . 1 . . . . . . . . 5627 1 2826 . 1 1 261 261 LYS HD3 H 1 1.14 0.02 . 1 . . . . . . . . 5627 1 2827 . 1 1 262 262 GLU N N 15 119.80 0.1 . 1 . . . . . . . . 5627 1 2828 . 1 1 262 262 GLU H H 1 7.94 0.02 . 1 . . . . . . . . 5627 1 2829 . 1 1 262 262 GLU C C 13 179.83 0.2 . 1 . . . . . . . . 5627 1 2830 . 1 1 262 262 GLU CA C 13 58.30 0.2 . 1 . . . . . . . . 5627 1 2831 . 1 1 262 262 GLU CB C 13 29.91 0.2 . 1 . . . . . . . . 5627 1 2832 . 1 1 262 262 GLU HA H 1 4.13 0.02 . 1 . . . . . . . . 5627 1 2833 . 1 1 262 262 GLU HB2 H 1 2.08 0.02 . 1 . . . . . . . . 5627 1 2834 . 1 1 262 262 GLU HB3 H 1 2.08 0.02 . 1 . . . . . . . . 5627 1 2835 . 1 1 262 262 GLU HG2 H 1 2.38 0.02 . 1 . . . . . . . . 5627 1 2836 . 1 1 262 262 GLU HG3 H 1 2.38 0.02 . 1 . . . . . . . . 5627 1 2837 . 1 1 263 263 LEU N N 15 121.50 0.1 . 1 . . . . . . . . 5627 1 2838 . 1 1 263 263 LEU H H 1 8.70 0.02 . 1 . . . . . . . . 5627 1 2839 . 1 1 263 263 LEU C C 13 179.39 0.2 . 1 . . . . . . . . 5627 1 2840 . 1 1 263 263 LEU CA C 13 57.98 0.2 . 1 . . . . . . . . 5627 1 2841 . 1 1 263 263 LEU CB C 13 42.08 0.2 . 1 . . . . . . . . 5627 1 2842 . 1 1 263 263 LEU HA H 1 4.05 0.02 . 1 . . . . . . . . 5627 1 2843 . 1 1 263 263 LEU HB2 H 1 1.86 0.02 . 2 . . . . . . . . 5627 1 2844 . 1 1 263 263 LEU HB3 H 1 2.05 0.02 . 2 . . . . . . . . 5627 1 2845 . 1 1 263 263 LEU HG H 1 1.50 0.02 . 1 . . . . . . . . 5627 1 2846 . 1 1 263 263 LEU HD11 H 1 0.89 0.02 . 2 . . . . . . . . 5627 1 2847 . 1 1 263 263 LEU HD12 H 1 0.89 0.02 . 2 . . . . . . . . 5627 1 2848 . 1 1 263 263 LEU HD13 H 1 0.89 0.02 . 2 . . . . . . . . 5627 1 2849 . 1 1 263 263 LEU HD21 H 1 1.09 0.02 . 2 . . . . . . . . 5627 1 2850 . 1 1 263 263 LEU HD22 H 1 1.09 0.02 . 2 . . . . . . . . 5627 1 2851 . 1 1 263 263 LEU HD23 H 1 1.09 0.02 . 2 . . . . . . . . 5627 1 2852 . 1 1 263 263 LEU CD1 C 13 26.00 0.2 . 1 . . . . . . . . 5627 1 2853 . 1 1 263 263 LEU CD2 C 13 24.30 0.2 . 1 . . . . . . . . 5627 1 2854 . 1 1 264 264 ALA N N 15 120.30 0.1 . 1 . . . . . . . . 5627 1 2855 . 1 1 264 264 ALA H H 1 8.33 0.02 . 1 . . . . . . . . 5627 1 2856 . 1 1 264 264 ALA C C 13 179.70 0.2 . 1 . . . . . . . . 5627 1 2857 . 1 1 264 264 ALA CA C 13 54.47 0.2 . 1 . . . . . . . . 5627 1 2858 . 1 1 264 264 ALA CB C 13 18.63 0.2 . 1 . . . . . . . . 5627 1 2859 . 1 1 264 264 ALA HA H 1 4.10 0.02 . 1 . . . . . . . . 5627 1 2860 . 1 1 264 264 ALA HB1 H 1 1.28 0.02 . 1 . . . . . . . . 5627 1 2861 . 1 1 264 264 ALA HB2 H 1 1.28 0.02 . 1 . . . . . . . . 5627 1 2862 . 1 1 264 264 ALA HB3 H 1 1.28 0.02 . 1 . . . . . . . . 5627 1 2863 . 1 1 265 265 LYS N N 15 117.60 0.1 . 1 . . . . . . . . 5627 1 2864 . 1 1 265 265 LYS H H 1 7.48 0.02 . 1 . . . . . . . . 5627 1 2865 . 1 1 265 265 LYS C C 13 178.12 0.2 . 1 . . . . . . . . 5627 1 2866 . 1 1 265 265 LYS CA C 13 58.69 0.2 . 1 . . . . . . . . 5627 1 2867 . 1 1 265 265 LYS CB C 13 32.81 0.2 . 1 . . . . . . . . 5627 1 2868 . 1 1 265 265 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 5627 1 2869 . 1 1 265 265 LYS HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5627 1 2870 . 1 1 265 265 LYS HB3 H 1 2.08 0.02 . 2 . . . . . . . . 5627 1 2871 . 1 1 265 265 LYS HG2 H 1 1.66 0.02 . 2 . . . . . . . . 5627 1 2872 . 1 1 265 265 LYS HG3 H 1 1.71 0.02 . 2 . . . . . . . . 5627 1 2873 . 1 1 266 266 LYS N N 15 118.30 0.1 . 1 . . . . . . . . 5627 1 2874 . 1 1 266 266 LYS H H 1 7.74 0.02 . 1 . . . . . . . . 5627 1 2875 . 1 1 266 266 LYS C C 13 177.17 0.2 . 1 . . . . . . . . 5627 1 2876 . 1 1 266 266 LYS CA C 13 56.92 0.2 . 1 . . . . . . . . 5627 1 2877 . 1 1 266 266 LYS CB C 13 32.58 0.2 . 1 . . . . . . . . 5627 1 2878 . 1 1 266 266 LYS HA H 1 4.24 0.02 . 1 . . . . . . . . 5627 1 2879 . 1 1 266 266 LYS HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5627 1 2880 . 1 1 266 266 LYS HB3 H 1 2.11 0.02 . 2 . . . . . . . . 5627 1 2881 . 1 1 266 266 LYS HG2 H 1 1.56 0.02 . 2 . . . . . . . . 5627 1 2882 . 1 1 266 266 LYS HG3 H 1 1.72 0.02 . 2 . . . . . . . . 5627 1 2883 . 1 1 267 267 GLN N N 15 119.10 0.1 . 1 . . . . . . . . 5627 1 2884 . 1 1 267 267 GLN H H 1 7.73 0.02 . 1 . . . . . . . . 5627 1 2885 . 1 1 267 267 GLN C C 13 175.87 0.2 . 1 . . . . . . . . 5627 1 2886 . 1 1 267 267 GLN CA C 13 56.69 0.2 . 1 . . . . . . . . 5627 1 2887 . 1 1 267 267 GLN CB C 13 29.38 0.2 . 1 . . . . . . . . 5627 1 2888 . 1 1 267 267 GLN HA H 1 4.31 0.02 . 1 . . . . . . . . 5627 1 2889 . 1 1 267 267 GLN HB2 H 1 2.25 0.02 . 1 . . . . . . . . 5627 1 2890 . 1 1 267 267 GLN HB3 H 1 2.25 0.02 . 1 . . . . . . . . 5627 1 2891 . 1 1 267 267 GLN HG2 H 1 2.40 0.02 . 1 . . . . . . . . 5627 1 2892 . 1 1 267 267 GLN HG3 H 1 2.40 0.02 . 1 . . . . . . . . 5627 1 2893 . 1 1 268 268 LYS N N 15 121.90 0.1 . 1 . . . . . . . . 5627 1 2894 . 1 1 268 268 LYS H H 1 8.08 0.02 . 1 . . . . . . . . 5627 1 2895 . 1 1 268 268 LYS C C 13 176.70 0.2 . 1 . . . . . . . . 5627 1 2896 . 1 1 268 268 LYS CA C 13 56.94 0.2 . 1 . . . . . . . . 5627 1 2897 . 1 1 268 268 LYS CB C 13 32.81 0.2 . 1 . . . . . . . . 5627 1 2898 . 1 1 268 268 LYS HA H 1 4.15 0.02 . 1 . . . . . . . . 5627 1 2899 . 1 1 268 268 LYS HB2 H 1 1.79 0.02 . 1 . . . . . . . . 5627 1 2900 . 1 1 268 268 LYS HB3 H 1 1.79 0.02 . 1 . . . . . . . . 5627 1 2901 . 1 1 269 269 LEU N N 15 122.20 0.1 . 1 . . . . . . . . 5627 1 2902 . 1 1 269 269 LEU H H 1 8.11 0.02 . 1 . . . . . . . . 5627 1 2903 . 1 1 269 269 LEU C C 13 177.75 0.2 . 1 . . . . . . . . 5627 1 2904 . 1 1 269 269 LEU CA C 13 55.65 0.2 . 1 . . . . . . . . 5627 1 2905 . 1 1 269 269 LEU CB C 13 42.55 0.2 . 1 . . . . . . . . 5627 1 2906 . 1 1 269 269 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 5627 1 2907 . 1 1 269 269 LEU HB2 H 1 1.71 0.02 . 2 . . . . . . . . 5627 1 2908 . 1 1 269 269 LEU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5627 1 2909 . 1 1 269 269 LEU HD11 H 1 0.95 0.02 . 2 . . . . . . . . 5627 1 2910 . 1 1 269 269 LEU HD12 H 1 0.95 0.02 . 2 . . . . . . . . 5627 1 2911 . 1 1 269 269 LEU HD13 H 1 0.95 0.02 . 2 . . . . . . . . 5627 1 2912 . 1 1 269 269 LEU HD21 H 1 0.89 0.02 . 2 . . . . . . . . 5627 1 2913 . 1 1 269 269 LEU HD22 H 1 0.89 0.02 . 2 . . . . . . . . 5627 1 2914 . 1 1 269 269 LEU HD23 H 1 0.89 0.02 . 2 . . . . . . . . 5627 1 2915 . 1 1 269 269 LEU CD1 C 13 24.70 0.2 . 1 . . . . . . . . 5627 1 2916 . 1 1 269 269 LEU CD2 C 13 23.50 0.2 . 1 . . . . . . . . 5627 1 2917 . 1 1 270 270 THR N N 15 114.20 0.1 . 1 . . . . . . . . 5627 1 2918 . 1 1 270 270 THR H H 1 7.96 0.02 . 1 . . . . . . . . 5627 1 2919 . 1 1 270 270 THR C C 13 174.62 0.2 . 1 . . . . . . . . 5627 1 2920 . 1 1 270 270 THR CA C 13 62.23 0.2 . 1 . . . . . . . . 5627 1 2921 . 1 1 270 270 THR CB C 13 69.93 0.2 . 1 . . . . . . . . 5627 1 2922 . 1 1 270 270 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 5627 1 2923 . 1 1 270 270 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 5627 1 2924 . 1 1 270 270 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 5627 1 2925 . 1 1 270 270 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 5627 1 2926 . 1 1 270 270 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 5627 1 2927 . 1 1 270 270 THR CG2 C 13 21.70 0.2 . 1 . . . . . . . . 5627 1 2928 . 1 1 271 271 ARG N N 15 122.50 0.1 . 1 . . . . . . . . 5627 1 2929 . 1 1 271 271 ARG H H 1 8.03 0.02 . 1 . . . . . . . . 5627 1 2930 . 1 1 271 271 ARG C C 13 175.68 0.2 . 1 . . . . . . . . 5627 1 2931 . 1 1 271 271 ARG CA C 13 56.12 0.2 . 1 . . . . . . . . 5627 1 2932 . 1 1 271 271 ARG CB C 13 31.17 0.2 . 1 . . . . . . . . 5627 1 2933 . 1 1 271 271 ARG HB2 H 1 1.75 0.02 . 1 . . . . . . . . 5627 1 2934 . 1 1 271 271 ARG HB3 H 1 1.75 0.02 . 1 . . . . . . . . 5627 1 2935 . 1 1 272 272 ASP N N 15 121.50 0.1 . 1 . . . . . . . . 5627 1 2936 . 1 1 272 272 ASP H H 1 8.16 0.02 . 1 . . . . . . . . 5627 1 2937 . 1 1 272 272 ASP C C 13 175.64 0.2 . 1 . . . . . . . . 5627 1 2938 . 1 1 272 272 ASP CA C 13 54.35 0.2 . 1 . . . . . . . . 5627 1 2939 . 1 1 272 272 ASP CB C 13 41.33 0.2 . 1 . . . . . . . . 5627 1 2940 . 1 1 272 272 ASP HA H 1 4.61 0.02 . 1 . . . . . . . . 5627 1 2941 . 1 1 272 272 ASP HB2 H 1 2.54 0.02 . 2 . . . . . . . . 5627 1 2942 . 1 1 272 272 ASP HB3 H 1 2.68 0.02 . 2 . . . . . . . . 5627 1 2943 . 1 1 273 273 LEU N N 15 123.50 0.1 . 1 . . . . . . . . 5627 1 2944 . 1 1 273 273 LEU H H 1 7.90 0.02 . 1 . . . . . . . . 5627 1 2945 . 1 1 273 273 LEU C C 13 174.31 0.2 . 1 . . . . . . . . 5627 1 2946 . 1 1 273 273 LEU CA C 13 53.19 0.2 . 1 . . . . . . . . 5627 1 2947 . 1 1 273 273 LEU CB C 13 42.11 0.2 . 1 . . . . . . . . 5627 1 2948 . 1 1 274 274 PRO C C 13 174.31 0.2 . 1 . . . . . . . . 5627 1 2949 . 1 1 274 274 PRO CA C 13 63.27 0.2 . 1 . . . . . . . . 5627 1 2950 . 1 1 274 274 PRO CB C 13 30.99 0.2 . 1 . . . . . . . . 5627 1 2951 . 1 1 274 274 PRO HA H 1 4.36 0.02 . 1 . . . . . . . . 5627 1 2952 . 1 1 274 274 PRO HB2 H 1 2.22 0.02 . 1 . . . . . . . . 5627 1 2953 . 1 1 274 274 PRO HB3 H 1 2.22 0.02 . 1 . . . . . . . . 5627 1 2954 . 1 1 274 274 PRO HG2 H 1 1.98 0.02 . 1 . . . . . . . . 5627 1 2955 . 1 1 274 274 PRO HG3 H 1 1.98 0.02 . 1 . . . . . . . . 5627 1 2956 . 1 1 275 275 HIS N N 15 118.60 0.1 . 1 . . . . . . . . 5627 1 2957 . 1 1 275 275 HIS H H 1 8.12 0.02 . 1 . . . . . . . . 5627 1 2958 . 1 1 275 275 HIS C C 13 174.55 0.2 . 1 . . . . . . . . 5627 1 2959 . 1 1 275 275 HIS CA C 13 55.54 0.2 . 1 . . . . . . . . 5627 1 2960 . 1 1 275 275 HIS CB C 13 30.07 0.2 . 1 . . . . . . . . 5627 1 2961 . 1 1 275 275 HIS HA H 1 4.62 0.02 . 1 . . . . . . . . 5627 1 2962 . 1 1 276 276 LEU N N 15 124.90 0.1 . 1 . . . . . . . . 5627 1 2963 . 1 1 276 276 LEU H H 1 7.95 0.02 . 1 . . . . . . . . 5627 1 2964 . 1 1 276 276 LEU C C 13 176.81 0.2 . 1 . . . . . . . . 5627 1 2965 . 1 1 276 276 LEU CA C 13 53.06 0.2 . 1 . . . . . . . . 5627 1 2966 . 1 1 276 276 LEU CB C 13 42.10 0.2 . 1 . . . . . . . . 5627 1 2967 . 1 1 277 277 PRO C C 13 176.81 0.2 . 1 . . . . . . . . 5627 1 2968 . 1 1 277 277 PRO CA C 13 63.26 0.2 . 1 . . . . . . . . 5627 1 2969 . 1 1 277 277 PRO CB C 13 31.16 0.2 . 1 . . . . . . . . 5627 1 2970 . 1 1 277 277 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 5627 1 2971 . 1 1 277 277 PRO HB2 H 1 2.28 0.02 . 1 . . . . . . . . 5627 1 2972 . 1 1 277 277 PRO HB3 H 1 2.28 0.02 . 1 . . . . . . . . 5627 1 2973 . 1 1 277 277 PRO HG2 H 1 1.91 0.02 . 1 . . . . . . . . 5627 1 2974 . 1 1 277 277 PRO HG3 H 1 1.91 0.02 . 1 . . . . . . . . 5627 1 2975 . 1 1 278 278 SER N N 15 115.70 0.1 . 1 . . . . . . . . 5627 1 2976 . 1 1 278 278 SER H H 1 8.12 0.02 . 1 . . . . . . . . 5627 1 2977 . 1 1 278 278 SER C C 13 174.63 0.2 . 1 . . . . . . . . 5627 1 2978 . 1 1 278 278 SER CA C 13 58.30 0.2 . 1 . . . . . . . . 5627 1 2979 . 1 1 278 278 SER CB C 13 64.06 0.2 . 1 . . . . . . . . 5627 1 2980 . 1 1 278 278 SER HA H 1 4.43 0.02 . 1 . . . . . . . . 5627 1 2981 . 1 1 278 278 SER HB2 H 1 3.86 0.02 . 1 . . . . . . . . 5627 1 2982 . 1 1 278 278 SER HB3 H 1 3.86 0.02 . 1 . . . . . . . . 5627 1 2983 . 1 1 279 279 VAL N N 15 121.30 0.1 . 1 . . . . . . . . 5627 1 2984 . 1 1 279 279 VAL H H 1 7.90 0.02 . 1 . . . . . . . . 5627 1 2985 . 1 1 279 279 VAL C C 13 175.80 0.2 . 1 . . . . . . . . 5627 1 2986 . 1 1 279 279 VAL CA C 13 62.32 0.2 . 1 . . . . . . . . 5627 1 2987 . 1 1 279 279 VAL CB C 13 32.91 0.2 . 1 . . . . . . . . 5627 1 2988 . 1 1 279 279 VAL HA H 1 4.15 0.02 . 1 . . . . . . . . 5627 1 2989 . 1 1 279 279 VAL CG1 C 13 20.30 0.2 . 1 . . . . . . . . 5627 1 2990 . 1 1 279 279 VAL HG11 H 1 0.91 0.02 . 1 . . . . . . . . 5627 1 2991 . 1 1 279 279 VAL HG12 H 1 0.91 0.02 . 1 . . . . . . . . 5627 1 2992 . 1 1 279 279 VAL HG13 H 1 0.91 0.02 . 1 . . . . . . . . 5627 1 2993 . 1 1 279 279 VAL HG21 H 1 0.91 0.02 . 1 . . . . . . . . 5627 1 2994 . 1 1 279 279 VAL HG22 H 1 0.91 0.02 . 1 . . . . . . . . 5627 1 2995 . 1 1 279 279 VAL HG23 H 1 0.91 0.02 . 1 . . . . . . . . 5627 1 2996 . 1 1 280 280 GLN N N 15 123.50 0.1 . 1 . . . . . . . . 5627 1 2997 . 1 1 280 280 GLN H H 1 8.17 0.02 . 1 . . . . . . . . 5627 1 2998 . 1 1 280 280 GLN C C 13 175.08 0.2 . 1 . . . . . . . . 5627 1 2999 . 1 1 280 280 GLN CA C 13 55.77 0.2 . 1 . . . . . . . . 5627 1 3000 . 1 1 280 280 GLN CB C 13 29.86 0.2 . 1 . . . . . . . . 5627 1 3001 . 1 1 281 281 ALA N N 15 126.20 0.1 . 1 . . . . . . . . 5627 1 3002 . 1 1 281 281 ALA H H 1 8.07 0.02 . 1 . . . . . . . . 5627 1 3003 . 1 1 281 281 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . 5627 1 3004 . 1 1 281 281 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 5627 1 3005 . 1 1 281 281 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 5627 1 3006 . 1 1 281 281 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 5627 1 3007 . 1 1 281 281 ALA C C 13 176.14 0.2 . 1 . . . . . . . . 5627 1 3008 . 1 1 281 281 ALA CA C 13 52.37 0.2 . 1 . . . . . . . . 5627 1 3009 . 1 1 281 281 ALA CB C 13 19.34 0.2 . 1 . . . . . . . . 5627 1 3010 . 1 1 282 282 LEU N N 15 127.90 0.1 . 1 . . . . . . . . 5627 1 3011 . 1 1 282 282 LEU H H 1 7.58 0.02 . 1 . . . . . . . . 5627 1 3012 . 1 1 282 282 LEU C C 13 175.64 0.2 . 1 . . . . . . . . 5627 1 3013 . 1 1 282 282 LEU CA C 13 56.71 0.2 . 1 . . . . . . . . 5627 1 3014 . 1 1 282 282 LEU CB C 13 43.71 0.2 . 1 . . . . . . . . 5627 1 stop_ save_ save_Ligand_Chemical_Shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Ligand_Chemical_Shifts _Assigned_chem_shift_list.Entry_ID 5627 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Normal_conditions _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 $sample_1 . 5627 2 . . 2 $sample_2 . 5627 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 3 1 1 TUX C1G C 13 71.67 0.2 . 1 . . . . . . . . 5627 2 2 . 2 3 1 1 TUX H1G1 H 1 4.07 0.02 . 1 . . . . . . . . 5627 2 3 . 2 3 1 1 TUX H2G2 H 1 3.30 0.02 . 1 . . . . . . . . 5627 2 4 . 2 3 1 1 TUX C2G C 13 41.14 0.2 . 1 . . . . . . . . 5627 2 5 . 2 3 1 1 TUX H2G H 1 2.16 0.02 . 1 . . . . . . . . 5627 2 6 . 2 3 1 1 TUX C3G C 13 80.20 0.2 . 1 . . . . . . . . 5627 2 7 . 2 3 1 1 TUX H3G H 1 4.84 0.02 . 1 . . . . . . . . 5627 2 8 . 2 3 1 1 TUX C4G C 13 71.48 0.2 . 1 . . . . . . . . 5627 2 9 . 2 3 1 1 TUX H4G H 1 3.25 0.02 . 1 . . . . . . . . 5627 2 10 . 2 3 1 1 TUX C5G C 13 83.75 0.2 . 1 . . . . . . . . 5627 2 11 . 2 3 1 1 TUX H5G H 1 3.40 0.02 . 1 . . . . . . . . 5627 2 12 . 2 3 1 1 TUX C6G C 13 64.90 0.2 . 1 . . . . . . . . 5627 2 13 . 2 3 1 1 TUX H6G1 H 1 4.09 0.02 . 1 . . . . . . . . 5627 2 14 . 2 3 1 1 TUX H6G2 H 1 3.44 0.02 . 1 . . . . . . . . 5627 2 15 . 2 3 1 1 TUX HZH2 H 1 2.41 0.02 . 2 . . . . . . . . 5627 2 16 . 2 3 1 1 TUX HZH3 H 1 2.76 0.02 . 2 . . . . . . . . 5627 2 17 . 2 3 1 1 TUX H2A2 H 1 2.19 0.02 . 2 . . . . . . . . 5627 2 18 . 2 3 1 1 TUX H2A3 H 1 2.19 0.02 . 2 . . . . . . . . 5627 2 19 . 2 3 1 1 TUX H3A2 H 1 1.43 0.02 . 2 . . . . . . . . 5627 2 20 . 2 3 1 1 TUX H3A3 H 1 1.43 0.02 . 2 . . . . . . . . 5627 2 21 . 2 3 1 1 TUX H42 H 1 1.30 0.02 . 2 . . . . . . . . 5627 2 22 . 2 3 1 1 TUX H4A3 H 1 1.30 0.02 . 2 . . . . . . . . 5627 2 23 . 2 3 1 1 TUX H5A2 H 1 1.18 0.02 . 2 . . . . . . . . 5627 2 24 . 2 3 1 1 TUX H5A3 H 1 1.18 0.02 . 2 . . . . . . . . 5627 2 25 . 2 3 1 1 TUX H6A2 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2 26 . 2 3 1 1 TUX H6A3 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2 27 . 2 3 1 1 TUX H7A2 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2 28 . 2 3 1 1 TUX H7A3 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2 29 . 2 3 1 1 TUX H8A2 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2 30 . 2 3 1 1 TUX H8A3 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2 31 . 2 3 1 1 TUX H9A2 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2 32 . 2 3 1 1 TUX H9A3 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2 33 . 2 3 1 1 TUX HAA2 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2 34 . 2 3 1 1 TUX HAA3 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2 35 . 2 3 1 1 TUX HBA2 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2 36 . 2 3 1 1 TUX HBA3 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2 37 . 2 3 1 1 TUX HCA2 H 1 0.88 0.02 . 2 . . . . . . . . 5627 2 38 . 2 3 1 1 TUX HCA3 H 1 0.88 0.02 . 2 . . . . . . . . 5627 2 39 . 2 3 1 1 TUX HDA2 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2 40 . 2 3 1 1 TUX HDA3 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2 41 . 2 3 1 1 TUX HEA1 H 1 0.64 0.02 . 2 . . . . . . . . 5627 2 42 . 2 3 1 1 TUX HEA2 H 1 0.64 0.02 . 2 . . . . . . . . 5627 2 43 . 2 3 1 1 TUX HEA3 H 1 0.64 0.02 . 2 . . . . . . . . 5627 2 stop_ save_