data_15001 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15001 _Entry.Title ; Structures and chemical shift assignments for the ADD domain of the ATRX protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-09-13 _Entry.Accession_date 2006-09-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Ji-Chun Yang . . . 15001 2 David Neuhaus . . . 15001 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15001 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ADD domain' . 15001 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15001 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 399 15001 '15N chemical shifts' 139 15001 '1H chemical shifts' 852 15001 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 3 . . 2009-02-19 2006-09-14 update BMRB 'correct residue numbers in assembly loops' 15001 2 . . 2008-08-29 2006-09-14 update BMRB 'complete entry citation' 15001 1 . . 2007-06-18 2006-09-14 original author 'original release' 15001 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LD1 'BMRB Entry Tracking System' 15001 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15001 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17609377 _Citation.Full_citation . _Citation.Title 'Structural consequences of disease-causing mutations in the ATRX-DNMT3-DNMT3L (ADD) domain of the chromatin-associated protein ATRX' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 104 _Citation.Journal_issue 29 _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 11939 _Citation.Page_last 11944 _Citation.Year 2007 _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 Anthony Argentaro . . . 15001 1 2 Ji-Chun Yang . . . 15001 1 3 Lynda Chapman . . . 15001 1 4 Monika Kowalczyk . S. . 15001 1 5 Richard Gibbons . J. . 15001 1 6 Douglas Higgs . R. . 15001 1 7 David Neuhaus . . . 15001 1 8 Daniela Rhodes . . . 15001 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15001 _Assembly.ID 1 _Assembly.Name 'ADD domain' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 3 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'free and other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'protein chain' 1 $ADD_domain_156-296 A . yes native no no . . . 15001 1 2 'zinc 1' 2 $ZN A . no native no no . . . 15001 1 3 'zinc 2' 2 $ZN A . no native no no . . . 15001 1 4 'zinc 3' 2 $ZN A . no native no no . . . 15001 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination sing . 1 'protein chain' 1 CYS 17 17 SG . 2 'zinc 1' 2 ZN 1 1 ZN . 'protein chain' 171 CYS SG . 'zinc 1' 1 ZN1 ZN 15001 1 2 coordination sing . 1 'protein chain' 1 CYS 20 20 SG . 2 'zinc 1' 2 ZN 1 1 ZN . 'protein chain' 174 CYS SG . 'zinc 1' 1 ZN1 ZN 15001 1 3 coordination sing . 1 'protein chain' 1 CYS 43 43 SG . 2 'zinc 1' 2 ZN 1 1 ZN . 'protein chain' 197 CYS SG . 'zinc 1' 1 ZN1 ZN 15001 1 4 coordination sing . 1 'protein chain' 1 CYS 46 46 SG . 2 'zinc 1' 2 ZN 1 1 ZN . 'protein chain' 200 CYS SG . 'zinc 1' 1 ZN1 ZN 15001 1 5 coordination sing . 1 'protein chain' 1 CYS 66 66 SG . 3 'zinc 2' 2 ZN 1 1 ZN . 'protein chain' 220 CYS SG . 'zinc 2' 1 ZN1 ZN 15001 1 6 coordination sing . 1 'protein chain' 1 CYS 69 69 SG . 3 'zinc 2' 2 ZN 1 1 ZN . 'protein chain' 223 CYS SG . 'zinc 2' 1 ZN1 ZN 15001 1 7 coordination sing . 1 'protein chain' 1 CYS 86 86 SG . 3 'zinc 2' 2 ZN 1 1 ZN . 'protein chain' 240 CYS SG . 'zinc 2' 1 ZN1 ZN 15001 1 8 coordination sing . 1 'protein chain' 1 CYS 89 89 SG . 3 'zinc 2' 2 ZN 1 1 ZN . 'protein chain' 243 CYS SG . 'zinc 2' 1 ZN1 ZN 15001 1 9 coordination sing . 1 'protein chain' 1 CYS 78 78 SG . 4 'zinc 3' 2 ZN 1 1 ZN . 'protein chain' 232 CYS SG . 'zinc 3' 1 ZN1 ZN 15001 1 10 coordination sing . 1 'protein chain' 1 CYS 81 81 SG . 4 'zinc 3' 2 ZN 1 1 ZN . 'protein chain' 235 CYS SG . 'zinc 3' 1 ZN1 ZN 15001 1 11 coordination sing . 1 'protein chain' 1 CYS 111 111 SG . 4 'zinc 3' 2 ZN 1 1 ZN . 'protein chain' 265 CYS SG . 'zinc 3' 1 ZN1 ZN 15001 1 12 coordination sing . 1 'protein chain' 1 CYS 114 114 SG . 4 'zinc 3' 2 ZN 1 1 ZN . 'protein chain' 268 CYS SG . 'zinc 3' 1 ZN1 ZN 15001 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 17 17 HG . 171 CYS HG 15001 1 2 . 1 1 CYS 20 20 HG . 174 CYS HG 15001 1 3 . 1 1 CYS 43 43 HG . 197 CYS HG 15001 1 4 . 1 1 CYS 46 46 HG . 200 CYS HG 15001 1 5 . 1 1 CYS 66 66 HG . 220 CYS HG 15001 1 6 . 1 1 CYS 69 69 HG . 223 CYS HG 15001 1 7 . 1 1 CYS 86 86 HG . 240 CYS HG 15001 1 8 . 1 1 CYS 89 89 HG . 243 CYS HG 15001 1 9 . 1 1 CYS 78 78 HG . 232 CYS HG 15001 1 10 . 1 1 CYS 81 81 HG . 235 CYS HG 15001 1 11 . 1 1 CYS 111 111 HG . 265 CYS HG 15001 1 12 . 1 1 CYS 114 114 HG . 268 CYS HG 15001 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ADD_domain_156-296 _Entity.Sf_category entity _Entity.Sf_framecode ADD_domain_156-296 _Entity.Entry_ID 15001 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ADD_domain_156-296 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMADKRGDGLHGIVSCTAC GQQVNHFQKDSIYRHPSLQV LICKNCFKYYMSDDISRDSD GMDEQCRWCAEGGNLICCDF CHNAFCKKCILRNLGRKELS TIMDENNQWYCYICHPEPLL DLVTACNSVFENLEQLLQQN KK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-11-26 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 17569 . ATRX_ADD_domain . . . . . 100.00 142 100.00 100.00 4.23e-100 . . . . 15001 1 2 no PDB 2JM1 . "Structures And Chemical Shift Assignments For The Add Domain Of The Atrx Protein" . . . . . 100.70 141 97.90 97.90 9.20e-95 . . . . 15001 1 3 no PDB 2LBM . "Solution Structure Of The Add Domain Of Atrx Complexed With Histone Tail H3 1-15 K9me3" . . . . . 100.00 142 100.00 100.00 4.23e-100 . . . . 15001 1 4 no PDB 2LD1 . "Structures And Chemical Shift Assignments For The Add Domain Of The Atrx Protein" . . . . . 100.00 142 100.00 100.00 4.23e-100 . . . . 15001 1 5 no DBJ BAC28096 . "unnamed protein product [Mus musculus]" . . . . . 94.37 922 98.51 99.25 1.98e-90 . . . . 15001 1 6 no DBJ BAC40142 . "unnamed protein product [Mus musculus]" . . . . . 97.18 385 97.83 98.55 1.79e-95 . . . . 15001 1 7 no DBJ BAC81110 . "ATRX [Homo sapiens]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 15001 1 8 no DBJ BAC81111 . "ATRX [Pan troglodytes]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 15001 1 9 no DBJ BAC81112 . "ATRX [Pongo pygmaeus]" . . . . . 97.18 2492 98.55 99.28 4.23e-92 . . . . 15001 1 10 no EMBL CAB90351 . "alpha thalassemia/mental retardation syndrome X-linked (RAD54 homolog, S. cerevisiae) [Homo sapiens]" . . . . . 94.37 2454 100.00 100.00 6.86e-92 . . . . 15001 1 11 no EMBL CAI40710 . "alpha thalassemia/mental retardation syndrome X-linked (RAD54 homolog, S. cerevisiae) [Homo sapiens]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 15001 1 12 no EMBL CAI42674 . "alpha thalassemia/mental retardation syndrome X-linked (RAD54 homolog, S. cerevisiae) [Homo sapiens]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 15001 1 13 no EMBL CAI42675 . "alpha thalassemia/mental retardation syndrome X-linked (RAD54 homolog, S. cerevisiae) [Homo sapiens]" . . . . . 94.37 2454 100.00 100.00 6.86e-92 . . . . 15001 1 14 no EMBL CAI43115 . "alpha thalassemia/mental retardation syndrome X-linked (RAD54 homolog, S. cerevisiae) [Homo sapiens]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 15001 1 15 no GB AAB40698 . "putative DNA dependent ATPase and helicase [Homo sapiens]" . . . . . 97.18 2375 99.28 99.28 2.06e-92 . . . . 15001 1 16 no GB AAB40699 . "putative DNA dependent ATPase and helicase [Homo sapiens]" . . . . . 94.37 2337 100.00 100.00 1.01e-91 . . . . 15001 1 17 no GB AAB40700 . "putative DNA dependent ATPase and helicase [Homo sapiens]" . . . . . 64.79 2288 100.00 100.00 2.96e-59 . . . . 15001 1 18 no GB AAB49969 . "putative DNA dependent ATPase and helicase [Homo sapiens]" . . . . . 64.79 2288 100.00 100.00 2.96e-59 . . . . 15001 1 19 no GB AAB49970 . "putative DNA dependent ATPase and helicase [Homo sapiens]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 15001 1 20 no REF NP_000480 . "transcriptional regulator ATRX isoform 1 [Homo sapiens]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 15001 1 21 no REF NP_001009018 . "transcriptional regulator ATRX [Pan troglodytes]" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 15001 1 22 no REF NP_033556 . "transcriptional regulator ATRX [Mus musculus]" . . . . . 97.18 2476 97.83 98.55 3.03e-91 . . . . 15001 1 23 no REF NP_612114 . "transcriptional regulator ATRX isoform 2 [Homo sapiens]" . . . . . 94.37 2454 100.00 100.00 6.73e-92 . . . . 15001 1 24 no REF XP_001099671 . "PREDICTED: transcriptional regulator ATRX isoform 2 [Macaca mulatta]" . . . . . 94.37 2338 100.00 100.00 1.12e-91 . . . . 15001 1 25 no SP P46100 . "RecName: Full=Transcriptional regulator ATRX; AltName: Full=ATP-dependent helicase ATRX; AltName: Full=X-linked helicase II; Al" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 15001 1 26 no SP Q61687 . "RecName: Full=Transcriptional regulator ATRX; AltName: Full=ATP-dependent helicase ATRX; AltName: Full=HP1 alpha-interacting pr" . . . . . 97.18 2476 97.83 98.55 3.03e-91 . . . . 15001 1 27 no SP Q7YQM3 . "RecName: Full=Transcriptional regulator ATRX; AltName: Full=ATP-dependent helicase ATRX; AltName: Full=X-linked helicase II; Al" . . . . . 97.18 2492 98.55 99.28 4.23e-92 . . . . 15001 1 28 no SP Q7YQM4 . "RecName: Full=Transcriptional regulator ATRX; AltName: Full=ATP-dependent helicase ATRX; AltName: Full=X-linked helicase II; Al" . . . . . 97.18 2492 99.28 99.28 1.39e-92 . . . . 15001 1 29 no TPG DAA12976 . "TPA: ATP-dependent helicase ATRX isoform 1 [Bos taurus]" . . . . . 97.18 2479 99.28 99.28 2.19e-92 . . . . 15001 1 30 no TPG DAA12977 . "TPA: ATP-dependent helicase ATRX isoform 2 [Bos taurus]" . . . . . 94.37 2441 100.00 100.00 1.08e-91 . . . . 15001 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 1 155 GLY . 15001 1 2 156 ALA . 15001 1 3 157 MET . 15001 1 4 158 ALA . 15001 1 5 159 ASP . 15001 1 6 160 LYS . 15001 1 7 161 ARG . 15001 1 8 162 GLY . 15001 1 9 163 ASP . 15001 1 10 164 GLY . 15001 1 11 165 LEU . 15001 1 12 166 HIS . 15001 1 13 167 GLY . 15001 1 14 168 ILE . 15001 1 15 169 VAL . 15001 1 16 170 SER . 15001 1 17 171 CYS . 15001 1 18 172 THR . 15001 1 19 173 ALA . 15001 1 20 174 CYS . 15001 1 21 175 GLY . 15001 1 22 176 GLN . 15001 1 23 177 GLN . 15001 1 24 178 VAL . 15001 1 25 179 ASN . 15001 1 26 180 HIS . 15001 1 27 181 PHE . 15001 1 28 182 GLN . 15001 1 29 183 LYS . 15001 1 30 184 ASP . 15001 1 31 185 SER . 15001 1 32 186 ILE . 15001 1 33 187 TYR . 15001 1 34 188 ARG . 15001 1 35 189 HIS . 15001 1 36 190 PRO . 15001 1 37 191 SER . 15001 1 38 192 LEU . 15001 1 39 193 GLN . 15001 1 40 194 VAL . 15001 1 41 195 LEU . 15001 1 42 196 ILE . 15001 1 43 197 CYS . 15001 1 44 198 LYS . 15001 1 45 199 ASN . 15001 1 46 200 CYS . 15001 1 47 201 PHE . 15001 1 48 202 LYS . 15001 1 49 203 TYR . 15001 1 50 204 TYR . 15001 1 51 205 MET . 15001 1 52 206 SER . 15001 1 53 207 ASP . 15001 1 54 208 ASP . 15001 1 55 209 ILE . 15001 1 56 210 SER . 15001 1 57 211 ARG . 15001 1 58 212 ASP . 15001 1 59 213 SER . 15001 1 60 214 ASP . 15001 1 61 215 GLY . 15001 1 62 216 MET . 15001 1 63 217 ASP . 15001 1 64 218 GLU . 15001 1 65 219 GLN . 15001 1 66 220 CYS . 15001 1 67 221 ARG . 15001 1 68 222 TRP . 15001 1 69 223 CYS . 15001 1 70 224 ALA . 15001 1 71 225 GLU . 15001 1 72 226 GLY . 15001 1 73 227 GLY . 15001 1 74 228 ASN . 15001 1 75 229 LEU . 15001 1 76 230 ILE . 15001 1 77 231 CYS . 15001 1 78 232 CYS . 15001 1 79 233 ASP . 15001 1 80 234 PHE . 15001 1 81 235 CYS . 15001 1 82 236 HIS . 15001 1 83 237 ASN . 15001 1 84 238 ALA . 15001 1 85 239 PHE . 15001 1 86 240 CYS . 15001 1 87 241 LYS . 15001 1 88 242 LYS . 15001 1 89 243 CYS . 15001 1 90 244 ILE . 15001 1 91 245 LEU . 15001 1 92 246 ARG . 15001 1 93 247 ASN . 15001 1 94 248 LEU . 15001 1 95 249 GLY . 15001 1 96 250 ARG . 15001 1 97 251 LYS . 15001 1 98 252 GLU . 15001 1 99 253 LEU . 15001 1 100 254 SER . 15001 1 101 255 THR . 15001 1 102 256 ILE . 15001 1 103 257 MET . 15001 1 104 258 ASP . 15001 1 105 259 GLU . 15001 1 106 260 ASN . 15001 1 107 261 ASN . 15001 1 108 262 GLN . 15001 1 109 263 TRP . 15001 1 110 264 TYR . 15001 1 111 265 CYS . 15001 1 112 266 TYR . 15001 1 113 267 ILE . 15001 1 114 268 CYS . 15001 1 115 269 HIS . 15001 1 116 270 PRO . 15001 1 117 271 GLU . 15001 1 118 272 PRO . 15001 1 119 273 LEU . 15001 1 120 274 LEU . 15001 1 121 275 ASP . 15001 1 122 276 LEU . 15001 1 123 277 VAL . 15001 1 124 278 THR . 15001 1 125 279 ALA . 15001 1 126 280 CYS . 15001 1 127 281 ASN . 15001 1 128 282 SER . 15001 1 129 283 VAL . 15001 1 130 284 PHE . 15001 1 131 285 GLU . 15001 1 132 286 ASN . 15001 1 133 287 LEU . 15001 1 134 288 GLU . 15001 1 135 289 GLN . 15001 1 136 290 LEU . 15001 1 137 291 LEU . 15001 1 138 292 GLN . 15001 1 139 293 GLN . 15001 1 140 294 ASN . 15001 1 141 295 LYS . 15001 1 142 296 LYS . 15001 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15001 1 . ALA 2 2 15001 1 . MET 3 3 15001 1 . ALA 4 4 15001 1 . ASP 5 5 15001 1 . LYS 6 6 15001 1 . ARG 7 7 15001 1 . GLY 8 8 15001 1 . ASP 9 9 15001 1 . GLY 10 10 15001 1 . LEU 11 11 15001 1 . HIS 12 12 15001 1 . GLY 13 13 15001 1 . ILE 14 14 15001 1 . VAL 15 15 15001 1 . SER 16 16 15001 1 . CYS 17 17 15001 1 . THR 18 18 15001 1 . ALA 19 19 15001 1 . CYS 20 20 15001 1 . GLY 21 21 15001 1 . GLN 22 22 15001 1 . GLN 23 23 15001 1 . VAL 24 24 15001 1 . ASN 25 25 15001 1 . HIS 26 26 15001 1 . PHE 27 27 15001 1 . GLN 28 28 15001 1 . LYS 29 29 15001 1 . ASP 30 30 15001 1 . SER 31 31 15001 1 . ILE 32 32 15001 1 . TYR 33 33 15001 1 . ARG 34 34 15001 1 . HIS 35 35 15001 1 . PRO 36 36 15001 1 . SER 37 37 15001 1 . LEU 38 38 15001 1 . GLN 39 39 15001 1 . VAL 40 40 15001 1 . LEU 41 41 15001 1 . ILE 42 42 15001 1 . CYS 43 43 15001 1 . LYS 44 44 15001 1 . ASN 45 45 15001 1 . CYS 46 46 15001 1 . PHE 47 47 15001 1 . LYS 48 48 15001 1 . TYR 49 49 15001 1 . TYR 50 50 15001 1 . MET 51 51 15001 1 . SER 52 52 15001 1 . ASP 53 53 15001 1 . ASP 54 54 15001 1 . ILE 55 55 15001 1 . SER 56 56 15001 1 . ARG 57 57 15001 1 . ASP 58 58 15001 1 . SER 59 59 15001 1 . ASP 60 60 15001 1 . GLY 61 61 15001 1 . MET 62 62 15001 1 . ASP 63 63 15001 1 . GLU 64 64 15001 1 . GLN 65 65 15001 1 . CYS 66 66 15001 1 . ARG 67 67 15001 1 . TRP 68 68 15001 1 . CYS 69 69 15001 1 . ALA 70 70 15001 1 . GLU 71 71 15001 1 . GLY 72 72 15001 1 . GLY 73 73 15001 1 . ASN 74 74 15001 1 . LEU 75 75 15001 1 . ILE 76 76 15001 1 . CYS 77 77 15001 1 . CYS 78 78 15001 1 . ASP 79 79 15001 1 . PHE 80 80 15001 1 . CYS 81 81 15001 1 . HIS 82 82 15001 1 . ASN 83 83 15001 1 . ALA 84 84 15001 1 . PHE 85 85 15001 1 . CYS 86 86 15001 1 . LYS 87 87 15001 1 . LYS 88 88 15001 1 . CYS 89 89 15001 1 . ILE 90 90 15001 1 . LEU 91 91 15001 1 . ARG 92 92 15001 1 . ASN 93 93 15001 1 . LEU 94 94 15001 1 . GLY 95 95 15001 1 . ARG 96 96 15001 1 . LYS 97 97 15001 1 . GLU 98 98 15001 1 . LEU 99 99 15001 1 . SER 100 100 15001 1 . THR 101 101 15001 1 . ILE 102 102 15001 1 . MET 103 103 15001 1 . ASP 104 104 15001 1 . GLU 105 105 15001 1 . ASN 106 106 15001 1 . ASN 107 107 15001 1 . GLN 108 108 15001 1 . TRP 109 109 15001 1 . TYR 110 110 15001 1 . CYS 111 111 15001 1 . TYR 112 112 15001 1 . ILE 113 113 15001 1 . CYS 114 114 15001 1 . HIS 115 115 15001 1 . PRO 116 116 15001 1 . GLU 117 117 15001 1 . PRO 118 118 15001 1 . LEU 119 119 15001 1 . LEU 120 120 15001 1 . ASP 121 121 15001 1 . LEU 122 122 15001 1 . VAL 123 123 15001 1 . THR 124 124 15001 1 . ALA 125 125 15001 1 . CYS 126 126 15001 1 . ASN 127 127 15001 1 . SER 128 128 15001 1 . VAL 129 129 15001 1 . PHE 130 130 15001 1 . GLU 131 131 15001 1 . ASN 132 132 15001 1 . LEU 133 133 15001 1 . GLU 134 134 15001 1 . GLN 135 135 15001 1 . LEU 136 136 15001 1 . LEU 137 137 15001 1 . GLN 138 138 15001 1 . GLN 139 139 15001 1 . ASN 140 140 15001 1 . LYS 141 141 15001 1 . LYS 142 142 15001 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15001 _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 . 15001 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15001 _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 $ADD_domain_156-296 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15001 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 15001 _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 $ADD_domain_156-296 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . pET30a . . . . . . 15001 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 15001 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Sep 29 18:19:17 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 InChI=1S/Zn/q+2 InChI InChI 1.03 15001 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 15001 ZN [Zn++] SMILES CACTVS 3.341 15001 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 15001 ZN [Zn+2] SMILES ACDLabs 10.04 15001 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 15001 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15001 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 15001 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15001 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 . 15001 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15001 _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 'ADD domain 156-296' [U-15N] . . 1 $ADD_domain_156-296 . . . 0.6 0.8 mM . . . . 15001 1 2 TRIS none . . . . . . 20 . . mM . . . . 15001 1 3 DTT none . . . . . . 1 . . mM . . . . 15001 1 4 'zinc chloride' none . . . . . . 100 . . uM . . . . 15001 1 5 'sodium chloride' none . . . . . . 0.5 . . M . . . . 15001 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15001 _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 'ADD domain 156-296' '[U-13C; U-15N]' . . 1 $ADD_domain_156-296 . . . 0.3 0.4 mM . . . . 15001 2 2 TRIS none . . . . . . 20 . . mM . . . . 15001 2 3 DTT none . . . . . . 1 . . mM . . . . 15001 2 4 'zinc chloride' none . . . . . . 100 . . uM . . . . 15001 2 5 'sodium chloride' none . . . . . . 0.5 . . M . . . . 15001 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15001 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.5 . M 15001 1 pH 6.7 . pH 15001 1 pressure 1 . atm 15001 1 temperature 300 . K 15001 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15001 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15001 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15001 1 processing 15001 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15001 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T Goddard' . . 15001 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15001 2 'peak picking' 15001 2 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 15001 _Software.ID 3 _Software.Name X-PLOR _Software.Version 3.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'AT Brunger' . . 15001 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15001 3 'structure solution' 15001 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15001 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with TXI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15001 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with TXI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15001 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'with TXI cryoprobe' . . 15001 1 2 spectrometer_2 Bruker DRX . 500 'with TXI cryoprobe' . . 15001 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 15001 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15001 1 2 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15001 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15001 1 4 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15001 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15001 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15001 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15001 1 8 '3D HN(CO)CACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15001 1 9 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15001 1 10 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15001 1 11 HNHAHB no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15001 1 12 HN(CO)HAHB no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15001 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15001 1 14 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15001 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15001 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15001 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP protons . . . . ppm 0.0 external indirect 0.251449530 . . . 1 $entry_citation none . 1 $entry_citation 15001 1 H 1 TSP protons . . . . ppm 0.0 external direct 1 . . . 1 $entry_citation none . 1 $entry_citation 15001 1 N 15 TSP protons . . . . ppm 0.0 external indirect 0.101329118 . . . 1 $entry_citation none . 1 $entry_citation 15001 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15001 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 15001 1 2 '2D NOESY' 1 $sample_1 isotropic 15001 1 3 '3D 1H-15N NOESY' 1 $sample_1 isotropic 15001 1 4 '3D HNHB' 1 $sample_1 isotropic 15001 1 6 '2D 1H-13C HSQC' 1 $sample_1 isotropic 15001 1 7 '3D HNCACB' 1 $sample_1 isotropic 15001 1 8 '3D HN(CO)CACB' 1 $sample_1 isotropic 15001 1 9 '3D HNCA' 1 $sample_1 isotropic 15001 1 10 '3D HN(CO)CA' 1 $sample_1 isotropic 15001 1 11 HNHAHB 1 $sample_1 isotropic 15001 1 12 HN(CO)HAHB 1 $sample_1 isotropic 15001 1 13 '3D HCCH-TOCSY' 1 $sample_1 isotropic 15001 1 14 '3D HCCH-COSY' 1 $sample_1 isotropic 15001 1 15 '3D 1H-13C NOESY' 1 $sample_1 isotropic 15001 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.412 0.020 . 1 . . . . 156 ALA HA . 15001 1 2 . 1 1 2 2 ALA HB1 H 1 1.472 0.020 . 1 . . . . 156 ALA HB . 15001 1 3 . 1 1 2 2 ALA HB2 H 1 1.472 0.020 . 1 . . . . 156 ALA HB . 15001 1 4 . 1 1 2 2 ALA HB3 H 1 1.472 0.020 . 1 . . . . 156 ALA HB . 15001 1 5 . 1 1 2 2 ALA CA C 13 52.327 0.100 . 1 . . . . 156 ALA CA . 15001 1 6 . 1 1 2 2 ALA CB C 13 19.075 0.100 . 1 . . . . 156 ALA CB . 15001 1 7 . 1 1 3 3 MET H H 1 8.529 0.020 . 1 . . . . 157 MET H . 15001 1 8 . 1 1 3 3 MET HA H 1 4.496 0.020 . 1 . . . . 157 MET HA . 15001 1 9 . 1 1 3 3 MET HB2 H 1 2.102 0.020 . 1 . . . . 157 MET HB2 . 15001 1 10 . 1 1 3 3 MET HB3 H 1 2.102 0.020 . 1 . . . . 157 MET HB3 . 15001 1 11 . 1 1 3 3 MET CA C 13 55.334 0.100 . 1 . . . . 157 MET CA . 15001 1 12 . 1 1 3 3 MET CB C 13 32.348 0.100 . 1 . . . . 157 MET CB . 15001 1 13 . 1 1 3 3 MET N N 15 119.899 0.100 . 1 . . . . 157 MET N . 15001 1 14 . 1 1 4 4 ALA H H 1 8.348 0.020 . 1 . . . . 158 ALA H . 15001 1 15 . 1 1 4 4 ALA HA H 1 4.338 0.020 . 1 . . . . 158 ALA HA . 15001 1 16 . 1 1 4 4 ALA HB1 H 1 1.454 0.020 . 1 . . . . 158 ALA HB . 15001 1 17 . 1 1 4 4 ALA HB2 H 1 1.454 0.020 . 1 . . . . 158 ALA HB . 15001 1 18 . 1 1 4 4 ALA HB3 H 1 1.454 0.020 . 1 . . . . 158 ALA HB . 15001 1 19 . 1 1 4 4 ALA CA C 13 52.457 0.100 . 1 . . . . 158 ALA CA . 15001 1 20 . 1 1 4 4 ALA CB C 13 18.974 0.100 . 1 . . . . 158 ALA CB . 15001 1 21 . 1 1 4 4 ALA N N 15 125.059 0.100 . 1 . . . . 158 ALA N . 15001 1 22 . 1 1 5 5 ASP H H 1 8.272 0.020 . 1 . . . . 159 ASP H . 15001 1 23 . 1 1 5 5 ASP HA H 1 4.614 0.020 . 1 . . . . 159 ASP HA . 15001 1 24 . 1 1 5 5 ASP HB2 H 1 2.704 0.020 . 2 . . . . 159 ASP HB2 . 15001 1 25 . 1 1 5 5 ASP HB3 H 1 2.790 0.020 . 2 . . . . 159 ASP HB3 . 15001 1 26 . 1 1 5 5 ASP CA C 13 54.040 0.100 . 1 . . . . 159 ASP CA . 15001 1 27 . 1 1 5 5 ASP CB C 13 40.874 0.100 . 1 . . . . 159 ASP CB . 15001 1 28 . 1 1 5 5 ASP N N 15 119.526 0.100 . 1 . . . . 159 ASP N . 15001 1 29 . 1 1 6 6 LYS H H 1 8.240 0.020 . 1 . . . . 160 LYS HN . 15001 1 30 . 1 1 6 6 LYS HA H 1 4.365 0.020 . 1 . . . . 160 LYS HA . 15001 1 31 . 1 1 6 6 LYS HB2 H 1 1.815 0.020 . 2 . . . . 160 LYS HB2 . 15001 1 32 . 1 1 6 6 LYS HB3 H 1 1.933 0.020 . 2 . . . . 160 LYS HB3 . 15001 1 33 . 1 1 6 6 LYS HG2 H 1 1.509 0.020 . 1 . . . . 160 LYS HG2 . 15001 1 34 . 1 1 6 6 LYS HG3 H 1 1.509 0.020 . 1 . . . . 160 LYS HG3 . 15001 1 35 . 1 1 6 6 LYS CA C 13 56.096 0.100 . 1 . . . . 160 LYS CA . 15001 1 36 . 1 1 6 6 LYS CB C 13 32.398 0.100 . 1 . . . . 160 LYS CB . 15001 1 37 . 1 1 6 6 LYS N N 15 121.762 0.100 . 1 . . . . 160 LYS N . 15001 1 38 . 1 1 7 7 ARG H H 1 8.377 0.020 . 1 . . . . 161 ARG H . 15001 1 39 . 1 1 7 7 ARG HA H 1 4.369 0.020 . 1 . . . . 161 ARG HA . 15001 1 40 . 1 1 7 7 ARG HB2 H 1 1.903 0.020 . 2 . . . . 161 ARG HB2 . 15001 1 41 . 1 1 7 7 ARG HB3 H 1 1.903 0.020 . 2 . . . . 161 ARG HB3 . 15001 1 42 . 1 1 7 7 ARG HG2 H 1 1.712 0.020 . 2 . . . . 161 ARG HG2 . 15001 1 43 . 1 1 7 7 ARG HG3 H 1 1.712 0.020 . 2 . . . . 161 ARG HG3 . 15001 1 44 . 1 1 7 7 ARG CA C 13 56.153 0.100 . 1 . . . . 161 ARG CA . 15001 1 45 . 1 1 7 7 ARG CB C 13 30.492 0.100 . 1 . . . . 161 ARG CB . 15001 1 46 . 1 1 7 7 ARG N N 15 121.698 0.100 . 1 . . . . 161 ARG N . 15001 1 47 . 1 1 8 8 GLY H H 1 8.431 0.020 . 1 . . . . 162 GLY H . 15001 1 48 . 1 1 8 8 GLY HA2 H 1 4.034 0.020 . 2 . . . . 162 GLY HA2 . 15001 1 49 . 1 1 8 8 GLY HA3 H 1 4.034 0.020 . 2 . . . . 162 GLY HA3 . 15001 1 50 . 1 1 8 8 GLY CA C 13 45.254 0.100 . 1 . . . . 162 GLY CA . 15001 1 51 . 1 1 8 8 GLY N N 15 109.751 0.100 . 1 . . . . 162 GLY N . 15001 1 52 . 1 1 9 9 ASP H H 1 8.272 0.020 . 1 . . . . 163 ASP H . 15001 1 53 . 1 1 9 9 ASP HA H 1 4.683 0.020 . 1 . . . . 163 ASP HA . 15001 1 54 . 1 1 9 9 ASP HB2 H 1 2.776 0.020 . 2 . . . . 163 ASP HB2 . 15001 1 55 . 1 1 9 9 ASP HB3 H 1 2.776 0.020 . 2 . . . . 163 ASP HB3 . 15001 1 56 . 1 1 9 9 ASP CA C 13 53.986 0.100 . 1 . . . . 163 ASP CA . 15001 1 57 . 1 1 9 9 ASP CB C 13 40.955 0.100 . 1 . . . . 163 ASP CB . 15001 1 58 . 1 1 9 9 ASP N N 15 120.355 0.100 . 1 . . . . 163 ASP N . 15001 1 59 . 1 1 10 10 GLY H H 1 8.447 0.020 . 1 . . . . 164 GLY H . 15001 1 60 . 1 1 10 10 GLY HA2 H 1 3.970 0.020 . 2 . . . . 164 GLY HA2 . 15001 1 61 . 1 1 10 10 GLY HA3 H 1 3.970 0.020 . 2 . . . . 164 GLY HA3 . 15001 1 62 . 1 1 10 10 GLY CA C 13 45.258 0.100 . 1 . . . . 164 GLY CA . 15001 1 63 . 1 1 10 10 GLY N N 15 109.057 0.100 . 1 . . . . 164 GLY N . 15001 1 64 . 1 1 11 11 LEU H H 1 8.140 0.020 . 1 . . . . 165 LEU H . 15001 1 65 . 1 1 11 11 LEU HA H 1 4.334 0.020 . 1 . . . . 165 LEU HA . 15001 1 66 . 1 1 11 11 LEU HB2 H 1 1.489 0.020 . 2 . . . . 165 LEU HB2 . 15001 1 67 . 1 1 11 11 LEU HB3 H 1 1.580 0.020 . 2 . . . . 165 LEU HB3 . 15001 1 68 . 1 1 11 11 LEU HG H 1 1.491 0.020 . 1 . . . . 165 LEU HG . 15001 1 69 . 1 1 11 11 LEU HD11 H 1 0.820 0.020 . 2 . . . . 165 LEU HD1 . 15001 1 70 . 1 1 11 11 LEU HD12 H 1 0.820 0.020 . 2 . . . . 165 LEU HD1 . 15001 1 71 . 1 1 11 11 LEU HD13 H 1 0.820 0.020 . 2 . . . . 165 LEU HD1 . 15001 1 72 . 1 1 11 11 LEU HD21 H 1 0.883 0.020 . 2 . . . . 165 LEU HD2 . 15001 1 73 . 1 1 11 11 LEU HD22 H 1 0.883 0.020 . 2 . . . . 165 LEU HD2 . 15001 1 74 . 1 1 11 11 LEU HD23 H 1 0.883 0.020 . 2 . . . . 165 LEU HD2 . 15001 1 75 . 1 1 11 11 LEU CA C 13 54.795 0.100 . 1 . . . . 165 LEU CA . 15001 1 76 . 1 1 11 11 LEU CB C 13 41.841 0.100 . 1 . . . . 165 LEU CB . 15001 1 77 . 1 1 11 11 LEU CG C 13 26.320 0.100 . 1 . . . . 165 LEU CG . 15001 1 78 . 1 1 11 11 LEU CD1 C 13 23.334 0.100 . 2 . . . . 165 LEU CD1 . 15001 1 79 . 1 1 11 11 LEU CD2 C 13 24.638 0.100 . 2 . . . . 165 LEU CD2 . 15001 1 80 . 1 1 11 11 LEU N N 15 121.365 0.100 . 1 . . . . 165 LEU N . 15001 1 81 . 1 1 12 12 HIS H H 1 8.342 0.020 . 1 . . . . 166 HIS H . 15001 1 82 . 1 1 12 12 HIS HA H 1 4.698 0.020 . 1 . . . . 166 HIS HA . 15001 1 83 . 1 1 12 12 HIS HB2 H 1 3.148 0.020 . 2 . . . . 166 HIS HB2 . 15001 1 84 . 1 1 12 12 HIS HB3 H 1 3.266 0.020 . 2 . . . . 166 HIS HB3 . 15001 1 85 . 1 1 12 12 HIS HD2 H 1 7.144 0.020 . 1 . . . . 166 HIS HD2 . 15001 1 86 . 1 1 12 12 HIS HE1 H 1 8.062 0.020 . 1 . . . . 166 HIS HE1 . 15001 1 87 . 1 1 12 12 HIS CA C 13 56.055 0.100 . 1 . . . . 166 HIS CA . 15001 1 88 . 1 1 12 12 HIS CB C 13 30.120 0.100 . 1 . . . . 166 HIS CB . 15001 1 89 . 1 1 12 12 HIS CD2 C 13 119.864 0.100 . 1 . . . . 166 HIS CD2 . 15001 1 90 . 1 1 12 12 HIS CE1 C 13 137.508 0.100 . 1 . . . . 166 HIS CE1 . 15001 1 91 . 1 1 12 12 HIS N N 15 119.254 0.100 . 1 . . . . 166 HIS N . 15001 1 92 . 1 1 13 13 GLY H H 1 8.287 0.020 . 1 . . . . 167 GLY H . 15001 1 93 . 1 1 13 13 GLY HA2 H 1 4.023 0.020 . 2 . . . . 167 GLY HA2 . 15001 1 94 . 1 1 13 13 GLY HA3 H 1 4.023 0.020 . 2 . . . . 167 GLY HA3 . 15001 1 95 . 1 1 13 13 GLY CA C 13 45.048 0.100 . 1 . . . . 167 GLY CA . 15001 1 96 . 1 1 13 13 GLY N N 15 110.094 0.100 . 1 . . . . 167 GLY N . 15001 1 97 . 1 1 14 14 ILE H H 1 8.000 0.020 . 1 . . . . 168 ILE H . 15001 1 98 . 1 1 14 14 ILE HA H 1 4.334 0.020 . 1 . . . . 168 ILE HA . 15001 1 99 . 1 1 14 14 ILE HB H 1 1.851 0.020 . 1 . . . . 168 ILE HB . 15001 1 100 . 1 1 14 14 ILE HG12 H 1 1.194 0.020 . 2 . . . . 168 ILE HG12 . 15001 1 101 . 1 1 14 14 ILE HG13 H 1 1.512 0.020 . 2 . . . . 168 ILE HG13 . 15001 1 102 . 1 1 14 14 ILE HG21 H 1 0.887 0.020 . 1 . . . . 168 ILE HG2 . 15001 1 103 . 1 1 14 14 ILE HG22 H 1 0.887 0.020 . 1 . . . . 168 ILE HG2 . 15001 1 104 . 1 1 14 14 ILE HG23 H 1 0.887 0.020 . 1 . . . . 168 ILE HG2 . 15001 1 105 . 1 1 14 14 ILE HD11 H 1 0.867 0.020 . 1 . . . . 168 ILE HD1 . 15001 1 106 . 1 1 14 14 ILE HD12 H 1 0.867 0.020 . 1 . . . . 168 ILE HD1 . 15001 1 107 . 1 1 14 14 ILE HD13 H 1 0.867 0.020 . 1 . . . . 168 ILE HD1 . 15001 1 108 . 1 1 14 14 ILE CA C 13 60.627 0.100 . 1 . . . . 168 ILE CA . 15001 1 109 . 1 1 14 14 ILE CB C 13 38.972 0.100 . 1 . . . . 168 ILE CB . 15001 1 110 . 1 1 14 14 ILE CG1 C 13 26.919 0.100 . 1 . . . . 168 ILE CG1 . 15001 1 111 . 1 1 14 14 ILE CG2 C 13 17.245 0.100 . 1 . . . . 168 ILE CG2 . 15001 1 112 . 1 1 14 14 ILE CD1 C 13 12.532 0.100 . 1 . . . . 168 ILE CD1 . 15001 1 113 . 1 1 14 14 ILE N N 15 119.819 0.100 . 1 . . . . 168 ILE N . 15001 1 114 . 1 1 15 15 VAL H H 1 9.043 0.020 . 1 . . . . 169 VAL H . 15001 1 115 . 1 1 15 15 VAL HA H 1 4.310 0.020 . 1 . . . . 169 VAL HA . 15001 1 116 . 1 1 15 15 VAL HB H 1 1.975 0.020 . 1 . . . . 169 VAL HB . 15001 1 117 . 1 1 15 15 VAL HG11 H 1 0.596 0.020 . 2 . . . . 169 VAL HG1 . 15001 1 118 . 1 1 15 15 VAL HG12 H 1 0.596 0.020 . 2 . . . . 169 VAL HG1 . 15001 1 119 . 1 1 15 15 VAL HG13 H 1 0.596 0.020 . 2 . . . . 169 VAL HG1 . 15001 1 120 . 1 1 15 15 VAL HG21 H 1 0.815 0.020 . 2 . . . . 169 VAL HG2 . 15001 1 121 . 1 1 15 15 VAL HG22 H 1 0.815 0.020 . 2 . . . . 169 VAL HG2 . 15001 1 122 . 1 1 15 15 VAL HG23 H 1 0.815 0.020 . 2 . . . . 169 VAL HG2 . 15001 1 123 . 1 1 15 15 VAL CA C 13 61.355 0.100 . 1 . . . . 169 VAL CA . 15001 1 124 . 1 1 15 15 VAL CB C 13 32.990 0.100 . 1 . . . . 169 VAL CB . 15001 1 125 . 1 1 15 15 VAL CG1 C 13 20.411 0.100 . 2 . . . . 169 VAL CG1 . 15001 1 126 . 1 1 15 15 VAL CG2 C 13 22.123 0.100 . 2 . . . . 169 VAL CG2 . 15001 1 127 . 1 1 15 15 VAL N N 15 127.809 0.100 . 1 . . . . 169 VAL N . 15001 1 128 . 1 1 16 16 SER H H 1 8.268 0.020 . 1 . . . . 170 SER H . 15001 1 129 . 1 1 16 16 SER HA H 1 5.163 0.020 . 1 . . . . 170 SER HA . 15001 1 130 . 1 1 16 16 SER HB2 H 1 3.505 0.020 . 2 . . . . 170 SER HB2 . 15001 1 131 . 1 1 16 16 SER HB3 H 1 3.505 0.020 . 2 . . . . 170 SER HB3 . 15001 1 132 . 1 1 16 16 SER CA C 13 55.994 0.100 . 1 . . . . 170 SER CA . 15001 1 133 . 1 1 16 16 SER CB C 13 65.045 0.100 . 1 . . . . 170 SER CB . 15001 1 134 . 1 1 16 16 SER N N 15 118.898 0.100 . 1 . . . . 170 SER N . 15001 1 135 . 1 1 17 17 CYS H H 1 8.915 0.020 . 1 . . . . 171 CYS H . 15001 1 136 . 1 1 17 17 CYS HA H 1 4.199 0.020 . 1 . . . . 171 CYS HA . 15001 1 137 . 1 1 17 17 CYS HB2 H 1 2.886 0.020 . 1 . . . . 171 CYS HB2 . 15001 1 138 . 1 1 17 17 CYS HB3 H 1 3.593 0.020 . 1 . . . . 171 CYS HB3 . 15001 1 139 . 1 1 17 17 CYS CA C 13 59.702 0.100 . 1 . . . . 171 CYS CA . 15001 1 140 . 1 1 17 17 CYS CB C 13 31.279 0.100 . 1 . . . . 171 CYS CB . 15001 1 141 . 1 1 17 17 CYS N N 15 124.099 0.100 . 1 . . . . 171 CYS N . 15001 1 142 . 1 1 18 18 THR H H 1 8.808 0.020 . 1 . . . . 172 THR H . 15001 1 143 . 1 1 18 18 THR HA H 1 4.398 0.020 . 1 . . . . 172 THR HA . 15001 1 144 . 1 1 18 18 THR HB H 1 4.824 0.020 . 1 . . . . 172 THR HB . 15001 1 145 . 1 1 18 18 THR HG21 H 1 1.895 0.020 . 1 . . . . 172 THR HG2 . 15001 1 146 . 1 1 18 18 THR HG22 H 1 1.895 0.020 . 1 . . . . 172 THR HG2 . 15001 1 147 . 1 1 18 18 THR HG23 H 1 1.895 0.020 . 1 . . . . 172 THR HG2 . 15001 1 148 . 1 1 18 18 THR CA C 13 64.537 0.100 . 1 . . . . 172 THR CA . 15001 1 149 . 1 1 18 18 THR CB C 13 69.570 0.100 . 1 . . . . 172 THR CB . 15001 1 150 . 1 1 18 18 THR CG2 C 13 22.608 0.100 . 1 . . . . 172 THR CG2 . 15001 1 151 . 1 1 18 18 THR N N 15 121.908 0.100 . 1 . . . . 172 THR N . 15001 1 152 . 1 1 19 19 ALA H H 1 9.645 0.020 . 1 . . . . 173 ALA H . 15001 1 153 . 1 1 19 19 ALA HA H 1 4.485 0.020 . 1 . . . . 173 ALA HA . 15001 1 154 . 1 1 19 19 ALA HB1 H 1 1.925 0.020 . 1 . . . . 173 ALA HB . 15001 1 155 . 1 1 19 19 ALA HB2 H 1 1.925 0.020 . 1 . . . . 173 ALA HB . 15001 1 156 . 1 1 19 19 ALA HB3 H 1 1.925 0.020 . 1 . . . . 173 ALA HB . 15001 1 157 . 1 1 19 19 ALA CA C 13 53.822 0.100 . 1 . . . . 173 ALA CA . 15001 1 158 . 1 1 19 19 ALA CB C 13 21.909 0.100 . 1 . . . . 173 ALA CB . 15001 1 159 . 1 1 19 19 ALA N N 15 131.205 0.100 . 1 . . . . 173 ALA N . 15001 1 160 . 1 1 20 20 CYS H H 1 8.475 0.020 . 1 . . . . 174 CYS H . 15001 1 161 . 1 1 20 20 CYS HA H 1 5.006 0.020 . 1 . . . . 174 CYS HA . 15001 1 162 . 1 1 20 20 CYS HB2 H 1 2.692 0.020 . 1 . . . . 174 CYS HB2 . 15001 1 163 . 1 1 20 20 CYS HB3 H 1 3.274 0.020 . 1 . . . . 174 CYS HB3 . 15001 1 164 . 1 1 20 20 CYS CA C 13 57.814 0.100 . 1 . . . . 174 CYS CA . 15001 1 165 . 1 1 20 20 CYS CB C 13 33.000 0.100 . 1 . . . . 174 CYS CB . 15001 1 166 . 1 1 20 20 CYS N N 15 115.225 0.100 . 1 . . . . 174 CYS N . 15001 1 167 . 1 1 21 21 GLY H H 1 7.817 0.020 . 1 . . . . 175 GLY H . 15001 1 168 . 1 1 21 21 GLY HA2 H 1 3.927 0.020 . 2 . . . . 175 GLY HA2 . 15001 1 169 . 1 1 21 21 GLY HA3 H 1 4.245 0.020 . 2 . . . . 175 GLY HA3 . 15001 1 170 . 1 1 21 21 GLY CA C 13 45.565 0.100 . 1 . . . . 175 GLY CA . 15001 1 171 . 1 1 21 21 GLY N N 15 112.413 0.100 . 1 . . . . 175 GLY N . 15001 1 172 . 1 1 22 22 GLN H H 1 8.738 0.020 . 1 . . . . 176 GLN H . 15001 1 173 . 1 1 22 22 GLN HA H 1 4.404 0.020 . 1 . . . . 176 GLN HA . 15001 1 174 . 1 1 22 22 GLN HB2 H 1 2.360 0.020 . 1 . . . . 176 GLN HB2 . 15001 1 175 . 1 1 22 22 GLN HB3 H 1 2.124 0.020 . 1 . . . . 176 GLN HB3 . 15001 1 176 . 1 1 22 22 GLN HG2 H 1 2.588 0.020 . 2 . . . . 176 GLN HG2 . 15001 1 177 . 1 1 22 22 GLN HG3 H 1 2.914 0.020 . 2 . . . . 176 GLN HG3 . 15001 1 178 . 1 1 22 22 GLN CA C 13 56.094 0.100 . 1 . . . . 176 GLN CA . 15001 1 179 . 1 1 22 22 GLN CB C 13 29.170 0.100 . 1 . . . . 176 GLN CB . 15001 1 180 . 1 1 22 22 GLN CG C 13 34.104 0.100 . 1 . . . . 176 GLN CG . 15001 1 181 . 1 1 22 22 GLN N N 15 122.060 0.100 . 1 . . . . 176 GLN N . 15001 1 182 . 1 1 23 23 GLN H H 1 8.725 0.020 . 1 . . . . 177 GLN H . 15001 1 183 . 1 1 23 23 GLN HA H 1 4.545 0.020 . 1 . . . . 177 GLN HA . 15001 1 184 . 1 1 23 23 GLN HB2 H 1 1.997 0.020 . 2 . . . . 177 GLN HB2 . 15001 1 185 . 1 1 23 23 GLN HB3 H 1 2.108 0.020 . 2 . . . . 177 GLN HB3 . 15001 1 186 . 1 1 23 23 GLN HG2 H 1 2.412 0.020 . 2 . . . . 177 GLN HG2 . 15001 1 187 . 1 1 23 23 GLN HG3 H 1 2.568 0.020 . 2 . . . . 177 GLN HG3 . 15001 1 188 . 1 1 23 23 GLN HE21 H 1 6.946 0.020 . 1 . . . . 177 GLN HE21 . 15001 1 189 . 1 1 23 23 GLN HE22 H 1 7.728 0.020 . 1 . . . . 177 GLN HE22 . 15001 1 190 . 1 1 23 23 GLN CA C 13 56.483 0.100 . 1 . . . . 177 GLN CA . 15001 1 191 . 1 1 23 23 GLN CB C 13 28.331 0.100 . 1 . . . . 177 GLN CB . 15001 1 192 . 1 1 23 23 GLN N N 15 123.135 0.100 . 1 . . . . 177 GLN N . 15001 1 193 . 1 1 23 23 GLN NE2 N 15 111.884 0.100 . 1 . . . . 177 GLN NE2 . 15001 1 194 . 1 1 24 24 VAL H H 1 8.705 0.020 . 1 . . . . 178 VAL H . 15001 1 195 . 1 1 24 24 VAL HA H 1 4.531 0.020 . 1 . . . . 178 VAL HA . 15001 1 196 . 1 1 24 24 VAL HB H 1 1.953 0.020 . 1 . . . . 178 VAL HB . 15001 1 197 . 1 1 24 24 VAL HG11 H 1 0.802 0.020 . 2 . . . . 178 VAL HG1 . 15001 1 198 . 1 1 24 24 VAL HG12 H 1 0.802 0.020 . 2 . . . . 178 VAL HG1 . 15001 1 199 . 1 1 24 24 VAL HG13 H 1 0.802 0.020 . 2 . . . . 178 VAL HG1 . 15001 1 200 . 1 1 24 24 VAL HG21 H 1 0.887 0.020 . 2 . . . . 178 VAL HG2 . 15001 1 201 . 1 1 24 24 VAL HG22 H 1 0.887 0.020 . 2 . . . . 178 VAL HG2 . 15001 1 202 . 1 1 24 24 VAL HG23 H 1 0.887 0.020 . 2 . . . . 178 VAL HG2 . 15001 1 203 . 1 1 24 24 VAL CA C 13 59.541 0.100 . 1 . . . . 178 VAL CA . 15001 1 204 . 1 1 24 24 VAL CB C 13 33.345 0.100 . 1 . . . . 178 VAL CB . 15001 1 205 . 1 1 24 24 VAL CG1 C 13 19.667 0.100 . 2 . . . . 178 VAL CG1 . 15001 1 206 . 1 1 24 24 VAL CG2 C 13 21.769 0.100 . 2 . . . . 178 VAL CG2 . 15001 1 207 . 1 1 24 24 VAL N N 15 121.379 0.100 . 1 . . . . 178 VAL N . 15001 1 208 . 1 1 25 25 ASN H H 1 8.622 0.020 . 1 . . . . 179 ASN H . 15001 1 209 . 1 1 25 25 ASN HA H 1 4.861 0.020 . 1 . . . . 179 ASN HA . 15001 1 210 . 1 1 25 25 ASN HB2 H 1 2.731 0.020 . 1 . . . . 179 ASN HB2 . 15001 1 211 . 1 1 25 25 ASN HB3 H 1 2.942 0.020 . 1 . . . . 179 ASN HB3 . 15001 1 212 . 1 1 25 25 ASN CA C 13 51.989 0.100 . 1 . . . . 179 ASN CA . 15001 1 213 . 1 1 25 25 ASN N N 15 121.804 0.100 . 1 . . . . 179 ASN N . 15001 1 214 . 1 1 26 26 HIS HA H 1 4.632 0.020 . 1 . . . . 180 HIS HA . 15001 1 215 . 1 1 26 26 HIS HD2 H 1 6.659 0.020 . 1 . . . . 180 HIS HD2 . 15001 1 216 . 1 1 26 26 HIS HE1 H 1 8.163 0.020 . 1 . . . . 180 HIS HE1 . 15001 1 217 . 1 1 26 26 HIS CD2 C 13 118.417 0.100 . 1 . . . . 180 HIS CD2 . 15001 1 218 . 1 1 26 26 HIS CE1 C 13 136.881 0.100 . 1 . . . . 180 HIS CE1 . 15001 1 219 . 1 1 27 27 PHE HA H 1 4.477 0.020 . 1 . . . . 181 PHE HA . 15001 1 220 . 1 1 27 27 PHE HB2 H 1 2.882 0.020 . 2 . . . . 181 PHE HB2 . 15001 1 221 . 1 1 27 27 PHE HB3 H 1 3.103 0.020 . 2 . . . . 181 PHE HB3 . 15001 1 222 . 1 1 27 27 PHE HD1 H 1 6.991 0.020 . 1 . . . . 181 PHE HD1 . 15001 1 223 . 1 1 27 27 PHE HD2 H 1 6.991 0.020 . 1 . . . . 181 PHE HD2 . 15001 1 224 . 1 1 27 27 PHE HE1 H 1 7.195 0.020 . 1 . . . . 181 PHE HE1 . 15001 1 225 . 1 1 27 27 PHE HE2 H 1 7.195 0.020 . 1 . . . . 181 PHE HE2 . 15001 1 226 . 1 1 27 27 PHE HZ H 1 7.238 0.020 . 1 . . . . 181 PHE HZ . 15001 1 227 . 1 1 27 27 PHE CA C 13 56.798 0.100 . 1 . . . . 181 PHE CA . 15001 1 228 . 1 1 27 27 PHE CB C 13 38.192 0.100 . 1 . . . . 181 PHE CB . 15001 1 229 . 1 1 27 27 PHE CD1 C 13 130.565 0.100 . 1 . . . . 181 PHE CD1 . 15001 1 230 . 1 1 27 27 PHE CD2 C 13 130.565 0.100 . 1 . . . . 181 PHE CD2 . 15001 1 231 . 1 1 27 27 PHE CE1 C 13 130.816 0.100 . 1 . . . . 181 PHE CE1 . 15001 1 232 . 1 1 27 27 PHE CE2 C 13 130.816 0.100 . 1 . . . . 181 PHE CE2 . 15001 1 233 . 1 1 27 27 PHE CZ C 13 128.500 0.100 . 1 . . . . 181 PHE CZ . 15001 1 234 . 1 1 28 28 GLN H H 1 7.510 0.020 . 1 . . . . 182 GLN H . 15001 1 235 . 1 1 28 28 GLN HA H 1 4.571 0.020 . 1 . . . . 182 GLN HA . 15001 1 236 . 1 1 28 28 GLN HB2 H 1 1.996 0.020 . 1 . . . . 182 GLN HB2 . 15001 1 237 . 1 1 28 28 GLN HB3 H 1 2.219 0.020 . 1 . . . . 182 GLN HB3 . 15001 1 238 . 1 1 28 28 GLN HG2 H 1 2.381 0.020 . 2 . . . . 182 GLN HG2 . 15001 1 239 . 1 1 28 28 GLN HG3 H 1 2.381 0.020 . 2 . . . . 182 GLN HG3 . 15001 1 240 . 1 1 28 28 GLN CA C 13 54.095 0.100 . 1 . . . . 182 GLN CA . 15001 1 241 . 1 1 28 28 GLN CB C 13 30.242 0.100 . 1 . . . . 182 GLN CB . 15001 1 242 . 1 1 28 28 GLN N N 15 119.485 0.100 . 1 . . . . 182 GLN N . 15001 1 243 . 1 1 29 29 LYS H H 1 8.798 0.020 . 1 . . . . 183 LYS H . 15001 1 244 . 1 1 29 29 LYS HA H 1 3.953 0.020 . 1 . . . . 183 LYS HA . 15001 1 245 . 1 1 29 29 LYS HB2 H 1 1.864 0.020 . 2 . . . . 183 LYS HB2 . 15001 1 246 . 1 1 29 29 LYS HB3 H 1 1.864 0.020 . 2 . . . . 183 LYS HB3 . 15001 1 247 . 1 1 29 29 LYS HG2 H 1 1.501 0.020 . 2 . . . . 183 LYS HG2 . 15001 1 248 . 1 1 29 29 LYS HG3 H 1 1.501 0.020 . 2 . . . . 183 LYS HG3 . 15001 1 249 . 1 1 29 29 LYS HD2 H 1 1.769 0.020 . 2 . . . . 183 LYS HD2 . 15001 1 250 . 1 1 29 29 LYS HD3 H 1 1.769 0.020 . 2 . . . . 183 LYS HD3 . 15001 1 251 . 1 1 29 29 LYS CA C 13 58.230 0.100 . 1 . . . . 183 LYS CA . 15001 1 252 . 1 1 29 29 LYS CB C 13 32.255 0.100 . 1 . . . . 183 LYS CB . 15001 1 253 . 1 1 29 29 LYS CG C 13 24.089 0.100 . 1 . . . . 183 LYS CG . 15001 1 254 . 1 1 29 29 LYS CE C 13 41.101 0.100 . 1 . . . . 183 LYS CE . 15001 1 255 . 1 1 29 29 LYS N N 15 124.390 0.100 . 1 . . . . 183 LYS N . 15001 1 256 . 1 1 30 30 ASP H H 1 8.541 0.020 . 1 . . . . 184 ASP H . 15001 1 257 . 1 1 30 30 ASP HA H 1 4.490 0.020 . 1 . . . . 184 ASP HA . 15001 1 258 . 1 1 30 30 ASP HB2 H 1 2.837 0.020 . 2 . . . . 184 ASP HB2 . 15001 1 259 . 1 1 30 30 ASP HB3 H 1 2.913 0.020 . 2 . . . . 184 ASP HB3 . 15001 1 260 . 1 1 30 30 ASP CA C 13 54.258 0.100 . 1 . . . . 184 ASP CA . 15001 1 261 . 1 1 30 30 ASP CB C 13 39.806 0.100 . 1 . . . . 184 ASP CB . 15001 1 262 . 1 1 30 30 ASP N N 15 116.515 0.100 . 1 . . . . 184 ASP N . 15001 1 263 . 1 1 31 31 SER H H 1 7.917 0.020 . 1 . . . . 185 SER H . 15001 1 264 . 1 1 31 31 SER HA H 1 4.718 0.020 . 1 . . . . 185 SER HA . 15001 1 265 . 1 1 31 31 SER HB2 H 1 3.966 0.020 . 2 . . . . 185 SER HB2 . 15001 1 266 . 1 1 31 31 SER HB3 H 1 4.053 0.020 . 2 . . . . 185 SER HB3 . 15001 1 267 . 1 1 31 31 SER CA C 13 59.905 0.100 . 1 . . . . 185 SER CA . 15001 1 268 . 1 1 31 31 SER CB C 13 65.123 0.100 . 1 . . . . 185 SER CB . 15001 1 269 . 1 1 31 31 SER N N 15 111.763 0.100 . 1 . . . . 185 SER N . 15001 1 270 . 1 1 32 32 ILE H H 1 7.090 0.020 . 1 . . . . 186 ILE H . 15001 1 271 . 1 1 32 32 ILE HA H 1 4.874 0.020 . 1 . . . . 186 ILE HA . 15001 1 272 . 1 1 32 32 ILE HB H 1 1.497 0.020 . 1 . . . . 186 ILE HB . 15001 1 273 . 1 1 32 32 ILE HG12 H 1 0.855 0.020 . 2 . . . . 186 ILE HG12 . 15001 1 274 . 1 1 32 32 ILE HG13 H 1 1.207 0.020 . 2 . . . . 186 ILE HG13 . 15001 1 275 . 1 1 32 32 ILE HG21 H 1 0.709 0.020 . 1 . . . . 186 ILE HG2 . 15001 1 276 . 1 1 32 32 ILE HG22 H 1 0.709 0.020 . 1 . . . . 186 ILE HG2 . 15001 1 277 . 1 1 32 32 ILE HG23 H 1 0.709 0.020 . 1 . . . . 186 ILE HG2 . 15001 1 278 . 1 1 32 32 ILE HD11 H 1 0.097 0.020 . 1 . . . . 186 ILE HD1 . 15001 1 279 . 1 1 32 32 ILE HD12 H 1 0.097 0.020 . 1 . . . . 186 ILE HD1 . 15001 1 280 . 1 1 32 32 ILE HD13 H 1 0.097 0.020 . 1 . . . . 186 ILE HD1 . 15001 1 281 . 1 1 32 32 ILE CA C 13 59.273 0.100 . 1 . . . . 186 ILE CA . 15001 1 282 . 1 1 32 32 ILE CB C 13 41.765 0.100 . 1 . . . . 186 ILE CB . 15001 1 283 . 1 1 32 32 ILE CG1 C 13 24.272 0.100 . 1 . . . . 186 ILE CG1 . 15001 1 284 . 1 1 32 32 ILE CG2 C 13 19.180 0.100 . 1 . . . . 186 ILE CG2 . 15001 1 285 . 1 1 32 32 ILE CD1 C 13 13.573 0.100 . 1 . . . . 186 ILE CD1 . 15001 1 286 . 1 1 32 32 ILE N N 15 113.581 0.100 . 1 . . . . 186 ILE N . 15001 1 287 . 1 1 33 33 TYR H H 1 8.901 0.020 . 1 . . . . 187 TYR H . 15001 1 288 . 1 1 33 33 TYR HA H 1 4.543 0.020 . 1 . . . . 187 TYR HA . 15001 1 289 . 1 1 33 33 TYR HB2 H 1 2.332 0.020 . 2 . . . . 187 TYR HB2 . 15001 1 290 . 1 1 33 33 TYR HB3 H 1 2.512 0.020 . 2 . . . . 187 TYR HB3 . 15001 1 291 . 1 1 33 33 TYR HD1 H 1 6.290 0.020 . 1 . . . . 187 TYR HD1 . 15001 1 292 . 1 1 33 33 TYR HD2 H 1 6.290 0.020 . 1 . . . . 187 TYR HD2 . 15001 1 293 . 1 1 33 33 TYR HE1 H 1 6.444 0.020 . 1 . . . . 187 TYR HE1 . 15001 1 294 . 1 1 33 33 TYR HE2 H 1 6.444 0.020 . 1 . . . . 187 TYR HE2 . 15001 1 295 . 1 1 33 33 TYR CA C 13 57.007 0.100 . 1 . . . . 187 TYR CA . 15001 1 296 . 1 1 33 33 TYR CB C 13 43.215 0.100 . 1 . . . . 187 TYR CB . 15001 1 297 . 1 1 33 33 TYR CD1 C 13 131.614 0.100 . 1 . . . . 187 TYR CD1 . 15001 1 298 . 1 1 33 33 TYR CD2 C 13 131.614 0.100 . 1 . . . . 187 TYR CD2 . 15001 1 299 . 1 1 33 33 TYR CE1 C 13 117.322 0.100 . 1 . . . . 187 TYR CE1 . 15001 1 300 . 1 1 33 33 TYR CE2 C 13 117.322 0.100 . 1 . . . . 187 TYR CE2 . 15001 1 301 . 1 1 33 33 TYR N N 15 119.205 0.100 . 1 . . . . 187 TYR N . 15001 1 302 . 1 1 34 34 ARG H H 1 8.423 0.020 . 1 . . . . 188 ARG H . 15001 1 303 . 1 1 34 34 ARG HA H 1 4.688 0.020 . 1 . . . . 188 ARG HA . 15001 1 304 . 1 1 34 34 ARG HB2 H 1 1.305 0.020 . 2 . . . . 188 ARG HB2 . 15001 1 305 . 1 1 34 34 ARG HB3 H 1 1.441 0.020 . 2 . . . . 188 ARG HB3 . 15001 1 306 . 1 1 34 34 ARG HG2 H 1 1.200 0.020 . 2 . . . . 188 ARG HG2 . 15001 1 307 . 1 1 34 34 ARG HG3 H 1 1.286 0.020 . 2 . . . . 188 ARG HG3 . 15001 1 308 . 1 1 34 34 ARG CA C 13 54.715 0.100 . 1 . . . . 188 ARG CA . 15001 1 309 . 1 1 34 34 ARG CB C 13 31.087 0.100 . 1 . . . . 188 ARG CB . 15001 1 310 . 1 1 34 34 ARG N N 15 118.700 0.100 . 1 . . . . 188 ARG N . 15001 1 311 . 1 1 35 35 HIS H H 1 9.789 0.020 . 1 . . . . 189 HIS H . 15001 1 312 . 1 1 35 35 HIS HA H 1 4.445 0.020 . 1 . . . . 189 HIS HA . 15001 1 313 . 1 1 35 35 HIS HB2 H 1 2.881 0.020 . 1 . . . . 189 HIS HB2 . 15001 1 314 . 1 1 35 35 HIS HB3 H 1 3.061 0.020 . 1 . . . . 189 HIS HB3 . 15001 1 315 . 1 1 35 35 HIS HD2 H 1 7.200 0.020 . 1 . . . . 189 HIS HD2 . 15001 1 316 . 1 1 35 35 HIS HE1 H 1 7.662 0.020 . 1 . . . . 189 HIS HE1 . 15001 1 317 . 1 1 35 35 HIS CA C 13 55.566 0.100 . 1 . . . . 189 HIS CA . 15001 1 318 . 1 1 35 35 HIS CB C 13 32.199 0.100 . 1 . . . . 189 HIS CB . 15001 1 319 . 1 1 35 35 HIS CD2 C 13 117.926 0.100 . 1 . . . . 189 HIS CD2 . 15001 1 320 . 1 1 35 35 HIS CE1 C 13 139.740 0.100 . 1 . . . . 189 HIS CE1 . 15001 1 321 . 1 1 35 35 HIS N N 15 126.699 0.100 . 1 . . . . 189 HIS N . 15001 1 322 . 1 1 36 36 PRO HA H 1 4.330 0.020 . 1 . . . . 190 PRO HA . 15001 1 323 . 1 1 36 36 PRO HB2 H 1 2.052 0.020 . 2 . . . . 190 PRO HB2 . 15001 1 324 . 1 1 36 36 PRO HB3 H 1 2.561 0.020 . 2 . . . . 190 PRO HB3 . 15001 1 325 . 1 1 36 36 PRO HG2 H 1 2.149 0.020 . 2 . . . . 190 PRO HG2 . 15001 1 326 . 1 1 36 36 PRO HG3 H 1 2.149 0.020 . 2 . . . . 190 PRO HG3 . 15001 1 327 . 1 1 36 36 PRO HD2 H 1 2.235 0.020 . 2 . . . . 190 PRO HD2 . 15001 1 328 . 1 1 36 36 PRO HD3 H 1 3.817 0.020 . 2 . . . . 190 PRO HD3 . 15001 1 329 . 1 1 36 36 PRO CA C 13 65.124 0.100 . 1 . . . . 190 PRO CA . 15001 1 330 . 1 1 36 36 PRO CB C 13 32.855 0.100 . 1 . . . . 190 PRO CB . 15001 1 331 . 1 1 36 36 PRO CD C 13 49.761 0.100 . 1 . . . . 190 PRO CD . 15001 1 332 . 1 1 37 37 SER H H 1 8.941 0.020 . 1 . . . . 191 SER H . 15001 1 333 . 1 1 37 37 SER HA H 1 4.929 0.020 . 1 . . . . 191 SER HA . 15001 1 334 . 1 1 37 37 SER HB2 H 1 3.804 0.020 . 2 . . . . 191 SER HB2 . 15001 1 335 . 1 1 37 37 SER HB3 H 1 3.944 0.020 . 2 . . . . 191 SER HB3 . 15001 1 336 . 1 1 37 37 SER CA C 13 59.292 0.100 . 1 . . . . 191 SER CA . 15001 1 337 . 1 1 37 37 SER CB C 13 64.707 0.100 . 1 . . . . 191 SER CB . 15001 1 338 . 1 1 37 37 SER N N 15 110.626 0.100 . 1 . . . . 191 SER N . 15001 1 339 . 1 1 38 38 LEU H H 1 8.509 0.020 . 1 . . . . 192 LEU H . 15001 1 340 . 1 1 38 38 LEU HA H 1 4.126 0.020 . 1 . . . . 192 LEU HA . 15001 1 341 . 1 1 38 38 LEU HB2 H 1 0.630 0.020 . 2 . . . . 192 LEU HB2 . 15001 1 342 . 1 1 38 38 LEU HB3 H 1 0.766 0.020 . 2 . . . . 192 LEU HB3 . 15001 1 343 . 1 1 38 38 LEU HG H 1 0.721 0.020 . 1 . . . . 192 LEU HG . 15001 1 344 . 1 1 38 38 LEU HD11 H 1 -0.647 0.020 . 2 . . . . 192 LEU HD1 . 15001 1 345 . 1 1 38 38 LEU HD12 H 1 -0.647 0.020 . 2 . . . . 192 LEU HD1 . 15001 1 346 . 1 1 38 38 LEU HD13 H 1 -0.647 0.020 . 2 . . . . 192 LEU HD1 . 15001 1 347 . 1 1 38 38 LEU HD21 H 1 0.409 0.020 . 2 . . . . 192 LEU HD2 . 15001 1 348 . 1 1 38 38 LEU HD22 H 1 0.409 0.020 . 2 . . . . 192 LEU HD2 . 15001 1 349 . 1 1 38 38 LEU HD23 H 1 0.409 0.020 . 2 . . . . 192 LEU HD2 . 15001 1 350 . 1 1 38 38 LEU CA C 13 55.253 0.100 . 1 . . . . 192 LEU CA . 15001 1 351 . 1 1 38 38 LEU CB C 13 43.771 0.100 . 1 . . . . 192 LEU CB . 15001 1 352 . 1 1 38 38 LEU CG C 13 26.715 0.100 . 1 . . . . 192 LEU CG . 15001 1 353 . 1 1 38 38 LEU CD1 C 13 24.231 0.100 . 2 . . . . 192 LEU CD1 . 15001 1 354 . 1 1 38 38 LEU CD2 C 13 22.261 0.100 . 2 . . . . 192 LEU CD2 . 15001 1 355 . 1 1 38 38 LEU N N 15 120.801 0.100 . 1 . . . . 192 LEU N . 15001 1 356 . 1 1 39 39 GLN H H 1 8.533 0.020 . 1 . . . . 193 GLN H . 15001 1 357 . 1 1 39 39 GLN HA H 1 3.917 0.020 . 1 . . . . 193 GLN HA . 15001 1 358 . 1 1 39 39 GLN HB2 H 1 2.370 0.020 . 2 . . . . 193 GLN HB2 . 15001 1 359 . 1 1 39 39 GLN HB3 H 1 2.483 0.020 . 2 . . . . 193 GLN HB3 . 15001 1 360 . 1 1 39 39 GLN CA C 13 56.596 0.100 . 1 . . . . 193 GLN CA . 15001 1 361 . 1 1 39 39 GLN CB C 13 24.841 0.100 . 1 . . . . 193 GLN CB . 15001 1 362 . 1 1 39 39 GLN N N 15 108.902 0.100 . 1 . . . . 193 GLN N . 15001 1 363 . 1 1 40 40 VAL H H 1 6.283 0.020 . 1 . . . . 194 VAL H . 15001 1 364 . 1 1 40 40 VAL HA H 1 4.576 0.020 . 1 . . . . 194 VAL HA . 15001 1 365 . 1 1 40 40 VAL HB H 1 2.691 0.020 . 1 . . . . 194 VAL HB . 15001 1 366 . 1 1 40 40 VAL HG11 H 1 0.641 0.020 . 2 . . . . 194 VAL HG1 . 15001 1 367 . 1 1 40 40 VAL HG12 H 1 0.641 0.020 . 2 . . . . 194 VAL HG1 . 15001 1 368 . 1 1 40 40 VAL HG13 H 1 0.641 0.020 . 2 . . . . 194 VAL HG1 . 15001 1 369 . 1 1 40 40 VAL HG21 H 1 0.774 0.020 . 2 . . . . 194 VAL HG2 . 15001 1 370 . 1 1 40 40 VAL HG22 H 1 0.774 0.020 . 2 . . . . 194 VAL HG2 . 15001 1 371 . 1 1 40 40 VAL HG23 H 1 0.774 0.020 . 2 . . . . 194 VAL HG2 . 15001 1 372 . 1 1 40 40 VAL CA C 13 58.700 0.100 . 1 . . . . 194 VAL CA . 15001 1 373 . 1 1 40 40 VAL CB C 13 32.915 0.100 . 1 . . . . 194 VAL CB . 15001 1 374 . 1 1 40 40 VAL CG1 C 13 18.217 0.100 . 2 . . . . 194 VAL CG1 . 15001 1 375 . 1 1 40 40 VAL CG2 C 13 22.555 0.100 . 2 . . . . 194 VAL CG2 . 15001 1 376 . 1 1 40 40 VAL N N 15 105.399 0.100 . 1 . . . . 194 VAL N . 15001 1 377 . 1 1 41 41 LEU H H 1 9.138 0.020 . 1 . . . . 195 LEU H . 15001 1 378 . 1 1 41 41 LEU HA H 1 4.853 0.020 . 1 . . . . 195 LEU HA . 15001 1 379 . 1 1 41 41 LEU HB2 H 1 2.072 0.020 . 1 . . . . 195 LEU HB2 . 15001 1 380 . 1 1 41 41 LEU HB3 H 1 1.707 0.020 . 1 . . . . 195 LEU HB3 . 15001 1 381 . 1 1 41 41 LEU HG H 1 1.792 0.020 . 1 . . . . 195 LEU HG . 15001 1 382 . 1 1 41 41 LEU HD11 H 1 0.917 0.020 . 2 . . . . 195 LEU HD1 . 15001 1 383 . 1 1 41 41 LEU HD12 H 1 0.917 0.020 . 2 . . . . 195 LEU HD1 . 15001 1 384 . 1 1 41 41 LEU HD13 H 1 0.917 0.020 . 2 . . . . 195 LEU HD1 . 15001 1 385 . 1 1 41 41 LEU HD21 H 1 1.064 0.020 . 2 . . . . 195 LEU HD2 . 15001 1 386 . 1 1 41 41 LEU HD22 H 1 1.064 0.020 . 2 . . . . 195 LEU HD2 . 15001 1 387 . 1 1 41 41 LEU HD23 H 1 1.064 0.020 . 2 . . . . 195 LEU HD2 . 15001 1 388 . 1 1 41 41 LEU CA C 13 57.992 0.100 . 1 . . . . 195 LEU CA . 15001 1 389 . 1 1 41 41 LEU CB C 13 43.407 0.100 . 1 . . . . 195 LEU CB . 15001 1 390 . 1 1 41 41 LEU CG C 13 27.900 0.100 . 1 . . . . 195 LEU CG . 15001 1 391 . 1 1 41 41 LEU CD1 C 13 25.041 0.100 . 2 . . . . 195 LEU CD1 . 15001 1 392 . 1 1 41 41 LEU CD2 C 13 26.631 0.100 . 2 . . . . 195 LEU CD2 . 15001 1 393 . 1 1 41 41 LEU N N 15 123.315 0.100 . 1 . . . . 195 LEU N . 15001 1 394 . 1 1 42 42 ILE H H 1 9.794 0.020 . 1 . . . . 196 ILE H . 15001 1 395 . 1 1 42 42 ILE HA H 1 6.362 0.020 . 1 . . . . 196 ILE HA . 15001 1 396 . 1 1 42 42 ILE HB H 1 2.389 0.020 . 1 . . . . 196 ILE HB . 15001 1 397 . 1 1 42 42 ILE HG12 H 1 1.331 0.020 . 2 . . . . 196 ILE HG12 . 15001 1 398 . 1 1 42 42 ILE HG13 H 1 1.785 0.020 . 2 . . . . 196 ILE HG13 . 15001 1 399 . 1 1 42 42 ILE HG21 H 1 1.415 0.020 . 1 . . . . 196 ILE HG2 . 15001 1 400 . 1 1 42 42 ILE HG22 H 1 1.415 0.020 . 1 . . . . 196 ILE HG2 . 15001 1 401 . 1 1 42 42 ILE HG23 H 1 1.415 0.020 . 1 . . . . 196 ILE HG2 . 15001 1 402 . 1 1 42 42 ILE HD11 H 1 0.978 0.020 . 1 . . . . 196 ILE HD1 . 15001 1 403 . 1 1 42 42 ILE HD12 H 1 0.978 0.020 . 1 . . . . 196 ILE HD1 . 15001 1 404 . 1 1 42 42 ILE HD13 H 1 0.978 0.020 . 1 . . . . 196 ILE HD1 . 15001 1 405 . 1 1 42 42 ILE CA C 13 59.016 0.100 . 1 . . . . 196 ILE CA . 15001 1 406 . 1 1 42 42 ILE CB C 13 42.999 0.100 . 1 . . . . 196 ILE CB . 15001 1 407 . 1 1 42 42 ILE CG1 C 13 25.165 0.100 . 1 . . . . 196 ILE CG1 . 15001 1 408 . 1 1 42 42 ILE CG2 C 13 18.988 0.100 . 1 . . . . 196 ILE CG2 . 15001 1 409 . 1 1 42 42 ILE CD1 C 13 13.569 0.100 . 1 . . . . 196 ILE CD1 . 15001 1 410 . 1 1 42 42 ILE N N 15 124.667 0.100 . 1 . . . . 196 ILE N . 15001 1 411 . 1 1 43 43 CYS H H 1 9.861 0.020 . 1 . . . . 197 CYS H . 15001 1 412 . 1 1 43 43 CYS HA H 1 5.270 0.020 . 1 . . . . 197 CYS HA . 15001 1 413 . 1 1 43 43 CYS HB2 H 1 3.844 0.020 . 1 . . . . 197 CYS HB2 . 15001 1 414 . 1 1 43 43 CYS HB3 H 1 2.983 0.020 . 1 . . . . 197 CYS HB3 . 15001 1 415 . 1 1 43 43 CYS CA C 13 56.572 0.100 . 1 . . . . 197 CYS CA . 15001 1 416 . 1 1 43 43 CYS CB C 13 33.146 0.100 . 1 . . . . 197 CYS CB . 15001 1 417 . 1 1 43 43 CYS N N 15 121.901 0.100 . 1 . . . . 197 CYS N . 15001 1 418 . 1 1 44 44 LYS H H 1 8.116 0.020 . 1 . . . . 198 LYS H . 15001 1 419 . 1 1 44 44 LYS HA H 1 4.016 0.020 . 1 . . . . 198 LYS HA . 15001 1 420 . 1 1 44 44 LYS HB2 H 1 2.108 0.020 . 2 . . . . 198 LYS HB2 . 15001 1 421 . 1 1 44 44 LYS HB3 H 1 2.310 0.020 . 2 . . . . 198 LYS HB3 . 15001 1 422 . 1 1 44 44 LYS HG2 H 1 1.567 0.020 . 2 . . . . 198 LYS HG2 . 15001 1 423 . 1 1 44 44 LYS HG3 H 1 1.567 0.020 . 2 . . . . 198 LYS HG3 . 15001 1 424 . 1 1 44 44 LYS HD2 H 1 1.931 0.020 . 2 . . . . 198 LYS HD2 . 15001 1 425 . 1 1 44 44 LYS HD3 H 1 1.931 0.020 . 2 . . . . 198 LYS HD3 . 15001 1 426 . 1 1 44 44 LYS CA C 13 59.429 0.100 . 1 . . . . 198 LYS CA . 15001 1 427 . 1 1 44 44 LYS CB C 13 32.681 0.100 . 1 . . . . 198 LYS CB . 15001 1 428 . 1 1 44 44 LYS N N 15 118.169 0.100 . 1 . . . . 198 LYS N . 15001 1 429 . 1 1 45 45 ASN H H 1 8.357 0.020 . 1 . . . . 199 ASN H . 15001 1 430 . 1 1 45 45 ASN HA H 1 4.544 0.020 . 1 . . . . 199 ASN HA . 15001 1 431 . 1 1 45 45 ASN HB2 H 1 3.129 0.020 . 1 . . . . 199 ASN HB2 . 15001 1 432 . 1 1 45 45 ASN HB3 H 1 2.960 0.020 . 1 . . . . 199 ASN HB3 . 15001 1 433 . 1 1 45 45 ASN CA C 13 56.555 0.100 . 1 . . . . 199 ASN CA . 15001 1 434 . 1 1 45 45 ASN CB C 13 38.077 0.100 . 1 . . . . 199 ASN CB . 15001 1 435 . 1 1 45 45 ASN N N 15 119.500 0.100 . 1 . . . . 199 ASN N . 15001 1 436 . 1 1 46 46 CYS H H 1 9.162 0.020 . 1 . . . . 200 CYS H . 15001 1 437 . 1 1 46 46 CYS HA H 1 4.199 0.020 . 1 . . . . 200 CYS HA . 15001 1 438 . 1 1 46 46 CYS HB2 H 1 3.137 0.020 . 1 . . . . 200 CYS HB2 . 15001 1 439 . 1 1 46 46 CYS HB3 H 1 3.207 0.020 . 1 . . . . 200 CYS HB3 . 15001 1 440 . 1 1 46 46 CYS CA C 13 65.445 0.100 . 1 . . . . 200 CYS CA . 15001 1 441 . 1 1 46 46 CYS CB C 13 28.037 0.100 . 1 . . . . 200 CYS CB . 15001 1 442 . 1 1 46 46 CYS N N 15 126.197 0.100 . 1 . . . . 200 CYS N . 15001 1 443 . 1 1 47 47 PHE H H 1 8.830 0.020 . 1 . . . . 201 PHE H . 15001 1 444 . 1 1 47 47 PHE HA H 1 3.914 0.020 . 1 . . . . 201 PHE HA . 15001 1 445 . 1 1 47 47 PHE HB2 H 1 2.520 0.020 . 2 . . . . 201 PHE HB2 . 15001 1 446 . 1 1 47 47 PHE HB3 H 1 2.644 0.020 . 2 . . . . 201 PHE HB3 . 15001 1 447 . 1 1 47 47 PHE HD1 H 1 6.618 0.020 . 1 . . . . 201 PHE HD1 . 15001 1 448 . 1 1 47 47 PHE HD2 H 1 6.618 0.020 . 1 . . . . 201 PHE HD2 . 15001 1 449 . 1 1 47 47 PHE HE1 H 1 7.263 0.020 . 1 . . . . 201 PHE HE1 . 15001 1 450 . 1 1 47 47 PHE HE2 H 1 7.263 0.020 . 1 . . . . 201 PHE HE2 . 15001 1 451 . 1 1 47 47 PHE HZ H 1 7.365 0.020 . 1 . . . . 201 PHE HZ . 15001 1 452 . 1 1 47 47 PHE CA C 13 61.917 0.100 . 1 . . . . 201 PHE CA . 15001 1 453 . 1 1 47 47 PHE CB C 13 39.095 0.100 . 1 . . . . 201 PHE CB . 15001 1 454 . 1 1 47 47 PHE CD1 C 13 131.000 0.100 . 1 . . . . 201 PHE CD1 . 15001 1 455 . 1 1 47 47 PHE CD2 C 13 131.000 0.100 . 1 . . . . 201 PHE CD2 . 15001 1 456 . 1 1 47 47 PHE CE1 C 13 130.816 0.100 . 1 . . . . 201 PHE CE1 . 15001 1 457 . 1 1 47 47 PHE CE2 C 13 130.816 0.100 . 1 . . . . 201 PHE CE2 . 15001 1 458 . 1 1 47 47 PHE CZ C 13 129.658 0.100 . 1 . . . . 201 PHE CZ . 15001 1 459 . 1 1 47 47 PHE N N 15 121.600 0.100 . 1 . . . . 201 PHE N . 15001 1 460 . 1 1 48 48 LYS H H 1 8.418 0.020 . 1 . . . . 202 LYS H . 15001 1 461 . 1 1 48 48 LYS HA H 1 3.744 0.020 . 1 . . . . 202 LYS HA . 15001 1 462 . 1 1 48 48 LYS HB2 H 1 1.894 0.020 . 2 . . . . 202 LYS HB2 . 15001 1 463 . 1 1 48 48 LYS HB3 H 1 2.027 0.020 . 2 . . . . 202 LYS HB3 . 15001 1 464 . 1 1 48 48 LYS CA C 13 58.656 0.100 . 1 . . . . 202 LYS CA . 15001 1 465 . 1 1 48 48 LYS CB C 13 31.324 0.100 . 1 . . . . 202 LYS CB . 15001 1 466 . 1 1 48 48 LYS N N 15 117.506 0.100 . 1 . . . . 202 LYS N . 15001 1 467 . 1 1 49 49 TYR H H 1 8.019 0.020 . 1 . . . . 203 TYR H . 15001 1 468 . 1 1 49 49 TYR HA H 1 4.260 0.020 . 1 . . . . 203 TYR HA . 15001 1 469 . 1 1 49 49 TYR HB2 H 1 3.267 0.020 . 1 . . . . 203 TYR HB2 . 15001 1 470 . 1 1 49 49 TYR HB3 H 1 3.064 0.020 . 1 . . . . 203 TYR HB3 . 15001 1 471 . 1 1 49 49 TYR HD1 H 1 7.190 0.020 . 1 . . . . 203 TYR HD1 . 15001 1 472 . 1 1 49 49 TYR HD2 H 1 7.190 0.020 . 1 . . . . 203 TYR HD2 . 15001 1 473 . 1 1 49 49 TYR HE1 H 1 6.883 0.020 . 1 . . . . 203 TYR HE1 . 15001 1 474 . 1 1 49 49 TYR HE2 H 1 6.883 0.020 . 1 . . . . 203 TYR HE2 . 15001 1 475 . 1 1 49 49 TYR CA C 13 60.908 0.100 . 1 . . . . 203 TYR CA . 15001 1 476 . 1 1 49 49 TYR CB C 13 38.107 0.100 . 1 . . . . 203 TYR CB . 15001 1 477 . 1 1 49 49 TYR CD1 C 13 132.579 0.100 . 1 . . . . 203 TYR CD1 . 15001 1 478 . 1 1 49 49 TYR CD2 C 13 132.579 0.100 . 1 . . . . 203 TYR CD2 . 15001 1 479 . 1 1 49 49 TYR CE1 C 13 118.491 0.100 . 1 . . . . 203 TYR CE1 . 15001 1 480 . 1 1 49 49 TYR CE2 C 13 118.491 0.100 . 1 . . . . 203 TYR CE2 . 15001 1 481 . 1 1 49 49 TYR N N 15 119.798 0.100 . 1 . . . . 203 TYR N . 15001 1 482 . 1 1 50 50 TYR H H 1 8.705 0.020 . 1 . . . . 204 TYR H . 15001 1 483 . 1 1 50 50 TYR HA H 1 3.622 0.020 . 1 . . . . 204 TYR HA . 15001 1 484 . 1 1 50 50 TYR HB2 H 1 2.868 0.020 . 2 . . . . 204 TYR HB2 . 15001 1 485 . 1 1 50 50 TYR HB3 H 1 3.069 0.020 . 2 . . . . 204 TYR HB3 . 15001 1 486 . 1 1 50 50 TYR HD1 H 1 6.790 0.020 . 1 . . . . 204 TYR HD1 . 15001 1 487 . 1 1 50 50 TYR HD2 H 1 6.790 0.020 . 1 . . . . 204 TYR HD2 . 15001 1 488 . 1 1 50 50 TYR HE1 H 1 7.062 0.020 . 1 . . . . 204 TYR HE1 . 15001 1 489 . 1 1 50 50 TYR HE2 H 1 7.062 0.020 . 1 . . . . 204 TYR HE2 . 15001 1 490 . 1 1 50 50 TYR CA C 13 61.755 0.100 . 1 . . . . 204 TYR CA . 15001 1 491 . 1 1 50 50 TYR CB C 13 38.031 0.100 . 1 . . . . 204 TYR CB . 15001 1 492 . 1 1 50 50 TYR CD1 C 13 132.700 0.100 . 1 . . . . 204 TYR CD1 . 15001 1 493 . 1 1 50 50 TYR CD2 C 13 132.700 0.100 . 1 . . . . 204 TYR CD2 . 15001 1 494 . 1 1 50 50 TYR CE1 C 13 117.690 0.100 . 1 . . . . 204 TYR CE1 . 15001 1 495 . 1 1 50 50 TYR CE2 C 13 117.690 0.100 . 1 . . . . 204 TYR CE2 . 15001 1 496 . 1 1 50 50 TYR N N 15 122.800 0.100 . 1 . . . . 204 TYR N . 15001 1 497 . 1 1 51 51 MET H H 1 7.804 0.020 . 1 . . . . 205 MET H . 15001 1 498 . 1 1 51 51 MET HA H 1 4.310 0.020 . 1 . . . . 205 MET HA . 15001 1 499 . 1 1 51 51 MET HB2 H 1 1.708 0.020 . 2 . . . . 205 MET HB2 . 15001 1 500 . 1 1 51 51 MET HB3 H 1 1.857 0.020 . 2 . . . . 205 MET HB3 . 15001 1 501 . 1 1 51 51 MET CA C 13 53.830 0.100 . 1 . . . . 205 MET CA . 15001 1 502 . 1 1 51 51 MET CB C 13 30.364 0.100 . 1 . . . . 205 MET CB . 15001 1 503 . 1 1 51 51 MET N N 15 112.013 0.100 . 1 . . . . 205 MET N . 15001 1 504 . 1 1 52 52 SER H H 1 7.513 0.020 . 1 . . . . 206 SER H . 15001 1 505 . 1 1 52 52 SER HA H 1 4.079 0.020 . 1 . . . . 206 SER HA . 15001 1 506 . 1 1 52 52 SER HB2 H 1 3.923 0.020 . 2 . . . . 206 SER HB2 . 15001 1 507 . 1 1 52 52 SER HB3 H 1 4.012 0.020 . 2 . . . . 206 SER HB3 . 15001 1 508 . 1 1 52 52 SER CA C 13 60.664 0.100 . 1 . . . . 206 SER CA . 15001 1 509 . 1 1 52 52 SER CB C 13 63.287 0.100 . 1 . . . . 206 SER CB . 15001 1 510 . 1 1 52 52 SER N N 15 115.700 0.100 . 1 . . . . 206 SER N . 15001 1 511 . 1 1 53 53 ASP H H 1 7.273 0.020 . 1 . . . . 207 ASP H . 15001 1 512 . 1 1 53 53 ASP HA H 1 4.669 0.020 . 1 . . . . 207 ASP HA . 15001 1 513 . 1 1 53 53 ASP HB2 H 1 2.494 0.020 . 2 . . . . 207 ASP HB2 . 15001 1 514 . 1 1 53 53 ASP HB3 H 1 2.494 0.020 . 2 . . . . 207 ASP HB3 . 15001 1 515 . 1 1 53 53 ASP CA C 13 52.753 0.100 . 1 . . . . 207 ASP CA . 15001 1 516 . 1 1 53 53 ASP CB C 13 42.844 0.100 . 1 . . . . 207 ASP CB . 15001 1 517 . 1 1 53 53 ASP N N 15 119.016 0.100 . 1 . . . . 207 ASP N . 15001 1 518 . 1 1 54 54 ASP H H 1 8.522 0.020 . 1 . . . . 208 ASP H . 15001 1 519 . 1 1 54 54 ASP HA H 1 4.512 0.020 . 1 . . . . 208 ASP HA . 15001 1 520 . 1 1 54 54 ASP HB2 H 1 2.429 0.020 . 1 . . . . 208 ASP HB2 . 15001 1 521 . 1 1 54 54 ASP HB3 H 1 2.568 0.020 . 1 . . . . 208 ASP HB3 . 15001 1 522 . 1 1 54 54 ASP CA C 13 53.525 0.100 . 1 . . . . 208 ASP CA . 15001 1 523 . 1 1 54 54 ASP CB C 13 41.229 0.100 . 1 . . . . 208 ASP CB . 15001 1 524 . 1 1 54 54 ASP N N 15 120.622 0.100 . 1 . . . . 208 ASP N . 15001 1 525 . 1 1 55 55 ILE H H 1 8.264 0.020 . 1 . . . . 209 ILE H . 15001 1 526 . 1 1 55 55 ILE HA H 1 4.003 0.020 . 1 . . . . 209 ILE HA . 15001 1 527 . 1 1 55 55 ILE HB H 1 1.724 0.020 . 1 . . . . 209 ILE HB . 15001 1 528 . 1 1 55 55 ILE HG12 H 1 1.097 0.020 . 2 . . . . 209 ILE HG12 . 15001 1 529 . 1 1 55 55 ILE HG13 H 1 1.622 0.020 . 2 . . . . 209 ILE HG13 . 15001 1 530 . 1 1 55 55 ILE HG21 H 1 1.005 0.020 . 1 . . . . 209 ILE HG2 . 15001 1 531 . 1 1 55 55 ILE HG22 H 1 1.005 0.020 . 1 . . . . 209 ILE HG2 . 15001 1 532 . 1 1 55 55 ILE HG23 H 1 1.005 0.020 . 1 . . . . 209 ILE HG2 . 15001 1 533 . 1 1 55 55 ILE HD11 H 1 0.801 0.020 . 1 . . . . 209 ILE HD1 . 15001 1 534 . 1 1 55 55 ILE HD12 H 1 0.801 0.020 . 1 . . . . 209 ILE HD1 . 15001 1 535 . 1 1 55 55 ILE HD13 H 1 0.801 0.020 . 1 . . . . 209 ILE HD1 . 15001 1 536 . 1 1 55 55 ILE CA C 13 61.585 0.100 . 1 . . . . 209 ILE CA . 15001 1 537 . 1 1 55 55 ILE CB C 13 37.898 0.100 . 1 . . . . 209 ILE CB . 15001 1 538 . 1 1 55 55 ILE CG1 C 13 27.971 0.100 . 1 . . . . 209 ILE CG1 . 15001 1 539 . 1 1 55 55 ILE CG2 C 13 16.410 0.100 . 1 . . . . 209 ILE CG2 . 15001 1 540 . 1 1 55 55 ILE CD1 C 13 12.525 0.100 . 1 . . . . 209 ILE CD1 . 15001 1 541 . 1 1 55 55 ILE N N 15 125.000 0.100 . 1 . . . . 209 ILE N . 15001 1 542 . 1 1 56 56 SER H H 1 8.652 0.020 . 1 . . . . 210 SER H . 15001 1 543 . 1 1 56 56 SER HA H 1 4.305 0.020 . 1 . . . . 210 SER HA . 15001 1 544 . 1 1 56 56 SER HB2 H 1 3.881 0.020 . 2 . . . . 210 SER HB2 . 15001 1 545 . 1 1 56 56 SER HB3 H 1 4.083 0.020 . 2 . . . . 210 SER HB3 . 15001 1 546 . 1 1 56 56 SER CA C 13 58.413 0.100 . 1 . . . . 210 SER CA . 15001 1 547 . 1 1 56 56 SER CB C 13 64.420 0.100 . 1 . . . . 210 SER CB . 15001 1 548 . 1 1 56 56 SER N N 15 126.208 0.100 . 1 . . . . 210 SER N . 15001 1 549 . 1 1 57 57 ARG H H 1 8.223 0.020 . 1 . . . . 211 ARG H . 15001 1 550 . 1 1 57 57 ARG HA H 1 5.105 0.020 . 1 . . . . 211 ARG HA . 15001 1 551 . 1 1 57 57 ARG HB2 H 1 1.584 0.020 . 2 . . . . 211 ARG HB2 . 15001 1 552 . 1 1 57 57 ARG HB3 H 1 1.677 0.020 . 2 . . . . 211 ARG HB3 . 15001 1 553 . 1 1 57 57 ARG CA C 13 53.936 0.100 . 1 . . . . 211 ARG CA . 15001 1 554 . 1 1 57 57 ARG CB C 13 33.718 0.100 . 1 . . . . 211 ARG CB . 15001 1 555 . 1 1 57 57 ARG N N 15 118.722 0.100 . 1 . . . . 211 ARG N . 15001 1 556 . 1 1 58 58 ASP H H 1 9.033 0.020 . 1 . . . . 212 ASP H . 15001 1 557 . 1 1 58 58 ASP HA H 1 4.555 0.020 . 1 . . . . 212 ASP HA . 15001 1 558 . 1 1 58 58 ASP HB2 H 1 2.841 0.020 . 2 . . . . 212 ASP HB2 . 15001 1 559 . 1 1 58 58 ASP HB3 H 1 3.303 0.020 . 2 . . . . 212 ASP HB3 . 15001 1 560 . 1 1 58 58 ASP CA C 13 52.684 0.100 . 1 . . . . 212 ASP CA . 15001 1 561 . 1 1 58 58 ASP CB C 13 41.261 0.100 . 1 . . . . 212 ASP CB . 15001 1 562 . 1 1 58 58 ASP N N 15 122.288 0.100 . 1 . . . . 212 ASP N . 15001 1 563 . 1 1 59 59 SER H H 1 8.529 0.020 . 1 . . . . 213 SER H . 15001 1 564 . 1 1 59 59 SER HA H 1 4.253 0.020 . 1 . . . . 213 SER HA . 15001 1 565 . 1 1 59 59 SER HB2 H 1 3.962 0.020 . 2 . . . . 213 SER HB2 . 15001 1 566 . 1 1 59 59 SER HB3 H 1 4.060 0.020 . 2 . . . . 213 SER HB3 . 15001 1 567 . 1 1 59 59 SER CA C 13 60.586 0.100 . 1 . . . . 213 SER CA . 15001 1 568 . 1 1 59 59 SER CB C 13 62.522 0.100 . 1 . . . . 213 SER CB . 15001 1 569 . 1 1 59 59 SER N N 15 114.000 0.100 . 1 . . . . 213 SER N . 15001 1 570 . 1 1 60 60 ASP H H 1 8.317 0.020 . 1 . . . . 214 ASP H . 15001 1 571 . 1 1 60 60 ASP HA H 1 4.884 0.020 . 1 . . . . 214 ASP HA . 15001 1 572 . 1 1 60 60 ASP HB2 H 1 2.760 0.020 . 2 . . . . 214 ASP HB2 . 15001 1 573 . 1 1 60 60 ASP HB3 H 1 2.908 0.020 . 2 . . . . 214 ASP HB3 . 15001 1 574 . 1 1 60 60 ASP CA C 13 54.117 0.100 . 1 . . . . 214 ASP CA . 15001 1 575 . 1 1 60 60 ASP CB C 13 41.842 0.100 . 1 . . . . 214 ASP CB . 15001 1 576 . 1 1 60 60 ASP N N 15 121.405 0.100 . 1 . . . . 214 ASP N . 15001 1 577 . 1 1 61 61 GLY H H 1 8.338 0.020 . 1 . . . . 215 GLY H . 15001 1 578 . 1 1 61 61 GLY HA2 H 1 3.678 0.020 . 2 . . . . 215 GLY HA2 . 15001 1 579 . 1 1 61 61 GLY HA3 H 1 4.230 0.020 . 2 . . . . 215 GLY HA3 . 15001 1 580 . 1 1 61 61 GLY CA C 13 45.169 0.100 . 1 . . . . 215 GLY CA . 15001 1 581 . 1 1 61 61 GLY N N 15 108.866 0.100 . 1 . . . . 215 GLY N . 15001 1 582 . 1 1 62 62 MET H H 1 8.416 0.020 . 1 . . . . 216 MET H . 15001 1 583 . 1 1 62 62 MET HA H 1 4.949 0.020 . 1 . . . . 216 MET HA . 15001 1 584 . 1 1 62 62 MET HB2 H 1 2.185 0.020 . 2 . . . . 216 MET HB2 . 15001 1 585 . 1 1 62 62 MET HB3 H 1 2.362 0.020 . 2 . . . . 216 MET HB3 . 15001 1 586 . 1 1 62 62 MET CA C 13 52.834 0.100 . 1 . . . . 216 MET CA . 15001 1 587 . 1 1 62 62 MET CB C 13 31.178 0.100 . 1 . . . . 216 MET CB . 15001 1 588 . 1 1 62 62 MET N N 15 121.115 0.100 . 1 . . . . 216 MET N . 15001 1 589 . 1 1 63 63 ASP H H 1 9.166 0.020 . 1 . . . . 217 ASP H . 15001 1 590 . 1 1 63 63 ASP HA H 1 4.881 0.020 . 1 . . . . 217 ASP HA . 15001 1 591 . 1 1 63 63 ASP CA C 13 55.052 0.100 . 1 . . . . 217 ASP CA . 15001 1 592 . 1 1 63 63 ASP CB C 13 40.938 0.100 . 1 . . . . 217 ASP CB . 15001 1 593 . 1 1 63 63 ASP N N 15 124.942 0.100 . 1 . . . . 217 ASP N . 15001 1 594 . 1 1 64 64 GLU H H 1 8.469 0.020 . 1 . . . . 218 GLU H . 15001 1 595 . 1 1 64 64 GLU HA H 1 4.274 0.020 . 1 . . . . 218 GLU HA . 15001 1 596 . 1 1 64 64 GLU HB2 H 1 2.139 0.020 . 2 . . . . 218 GLU HB2 . 15001 1 597 . 1 1 64 64 GLU HB3 H 1 2.139 0.020 . 2 . . . . 218 GLU HB3 . 15001 1 598 . 1 1 64 64 GLU CA C 13 55.059 0.100 . 1 . . . . 218 GLU CA . 15001 1 599 . 1 1 64 64 GLU CB C 13 30.866 0.100 . 1 . . . . 218 GLU CB . 15001 1 600 . 1 1 64 64 GLU N N 15 114.548 0.100 . 1 . . . . 218 GLU N . 15001 1 601 . 1 1 65 65 GLN H H 1 7.189 0.020 . 1 . . . . 219 GLN H . 15001 1 602 . 1 1 65 65 GLN HA H 1 4.462 0.020 . 1 . . . . 219 GLN HA . 15001 1 603 . 1 1 65 65 GLN HB2 H 1 1.626 0.020 . 2 . . . . 219 GLN HB2 . 15001 1 604 . 1 1 65 65 GLN HB3 H 1 1.916 0.020 . 2 . . . . 219 GLN HB3 . 15001 1 605 . 1 1 65 65 GLN CA C 13 53.819 0.100 . 1 . . . . 219 GLN CA . 15001 1 606 . 1 1 65 65 GLN CB C 13 32.621 0.100 . 1 . . . . 219 GLN CB . 15001 1 607 . 1 1 65 65 GLN N N 15 115.056 0.100 . 1 . . . . 219 GLN N . 15001 1 608 . 1 1 66 66 CYS H H 1 8.502 0.020 . 1 . . . . 220 CYS H . 15001 1 609 . 1 1 66 66 CYS HA H 1 4.106 0.020 . 1 . . . . 220 CYS HA . 15001 1 610 . 1 1 66 66 CYS HB2 H 1 2.877 0.020 . 1 . . . . 220 CYS HB2 . 15001 1 611 . 1 1 66 66 CYS HB3 H 1 2.937 0.020 . 1 . . . . 220 CYS HB3 . 15001 1 612 . 1 1 66 66 CYS CA C 13 57.782 0.100 . 1 . . . . 220 CYS CA . 15001 1 613 . 1 1 66 66 CYS CB C 13 31.922 0.100 . 1 . . . . 220 CYS CB . 15001 1 614 . 1 1 66 66 CYS N N 15 122.897 0.100 . 1 . . . . 220 CYS N . 15001 1 615 . 1 1 67 67 ARG H H 1 9.183 0.020 . 1 . . . . 221 ARG H . 15001 1 616 . 1 1 67 67 ARG HA H 1 4.101 0.020 . 1 . . . . 221 ARG HA . 15001 1 617 . 1 1 67 67 ARG CA C 13 55.026 0.100 . 1 . . . . 221 ARG CA . 15001 1 618 . 1 1 67 67 ARG CB C 13 26.709 0.100 . 1 . . . . 221 ARG CB . 15001 1 619 . 1 1 67 67 ARG N N 15 130.904 0.100 . 1 . . . . 221 ARG N . 15001 1 620 . 1 1 68 68 TRP H H 1 9.646 0.020 . 1 . . . . 222 TRP H . 15001 1 621 . 1 1 68 68 TRP HA H 1 4.448 0.020 . 1 . . . . 222 TRP HA . 15001 1 622 . 1 1 68 68 TRP HB2 H 1 3.233 0.020 . 2 . . . . 222 TRP HB2 . 15001 1 623 . 1 1 68 68 TRP HB3 H 1 3.233 0.020 . 2 . . . . 222 TRP HB3 . 15001 1 624 . 1 1 68 68 TRP HD1 H 1 7.087 0.020 . 1 . . . . 222 TRP HD1 . 15001 1 625 . 1 1 68 68 TRP HE1 H 1 10.112 0.020 . 1 . . . . 222 TRP HE1 . 15001 1 626 . 1 1 68 68 TRP HE3 H 1 6.452 0.020 . 1 . . . . 222 TRP HE3 . 15001 1 627 . 1 1 68 68 TRP HZ2 H 1 7.014 0.020 . 1 . . . . 222 TRP HZ2 . 15001 1 628 . 1 1 68 68 TRP HZ3 H 1 7.561 0.020 . 1 . . . . 222 TRP HZ3 . 15001 1 629 . 1 1 68 68 TRP HH2 H 1 6.636 0.020 . 1 . . . . 222 TRP HH2 . 15001 1 630 . 1 1 68 68 TRP CA C 13 60.105 0.100 . 1 . . . . 222 TRP CA . 15001 1 631 . 1 1 68 68 TRP CB C 13 31.098 0.100 . 1 . . . . 222 TRP CB . 15001 1 632 . 1 1 68 68 TRP CD1 C 13 121.983 0.100 . 1 . . . . 222 TRP CD1 . 15001 1 633 . 1 1 68 68 TRP CZ2 C 13 113.088 0.100 . 1 . . . . 222 TRP CZ2 . 15001 1 634 . 1 1 68 68 TRP N N 15 124.574 0.100 . 1 . . . . 222 TRP N . 15001 1 635 . 1 1 68 68 TRP NE1 N 15 126.550 0.100 . 1 . . . . 222 TRP NE1 . 15001 1 636 . 1 1 69 69 CYS H H 1 8.729 0.020 . 1 . . . . 223 CYS H . 15001 1 637 . 1 1 69 69 CYS HA H 1 5.150 0.020 . 1 . . . . 223 CYS HA . 15001 1 638 . 1 1 69 69 CYS HB2 H 1 3.437 0.020 . 1 . . . . 223 CYS HB2 . 15001 1 639 . 1 1 69 69 CYS HB3 H 1 3.083 0.020 . 1 . . . . 223 CYS HB3 . 15001 1 640 . 1 1 69 69 CYS CA C 13 58.856 0.100 . 1 . . . . 223 CYS CA . 15001 1 641 . 1 1 69 69 CYS CB C 13 33.195 0.100 . 1 . . . . 223 CYS CB . 15001 1 642 . 1 1 69 69 CYS N N 15 116.004 0.100 . 1 . . . . 223 CYS N . 15001 1 643 . 1 1 70 70 ALA H H 1 8.816 0.020 . 1 . . . . 224 ALA H . 15001 1 644 . 1 1 70 70 ALA HA H 1 4.487 0.020 . 1 . . . . 224 ALA HA . 15001 1 645 . 1 1 70 70 ALA HB1 H 1 1.621 0.020 . 1 . . . . 224 ALA HB . 15001 1 646 . 1 1 70 70 ALA HB2 H 1 1.621 0.020 . 1 . . . . 224 ALA HB . 15001 1 647 . 1 1 70 70 ALA HB3 H 1 1.621 0.020 . 1 . . . . 224 ALA HB . 15001 1 648 . 1 1 70 70 ALA CA C 13 53.848 0.100 . 1 . . . . 224 ALA CA . 15001 1 649 . 1 1 70 70 ALA CB C 13 16.725 0.100 . 1 . . . . 224 ALA CB . 15001 1 650 . 1 1 70 70 ALA N N 15 122.176 0.100 . 1 . . . . 224 ALA N . 15001 1 651 . 1 1 71 71 GLU H H 1 9.019 0.020 . 1 . . . . 225 GLU H . 15001 1 652 . 1 1 71 71 GLU HA H 1 4.978 0.020 . 1 . . . . 225 GLU HA . 15001 1 653 . 1 1 71 71 GLU HB2 H 1 2.594 0.020 . 1 . . . . 225 GLU HB2 . 15001 1 654 . 1 1 71 71 GLU HB3 H 1 2.343 0.020 . 1 . . . . 225 GLU HB3 . 15001 1 655 . 1 1 71 71 GLU HG2 H 1 2.434 0.020 . 2 . . . . 225 GLU HG2 . 15001 1 656 . 1 1 71 71 GLU HG3 H 1 2.639 0.020 . 2 . . . . 225 GLU HG3 . 15001 1 657 . 1 1 71 71 GLU CA C 13 56.080 0.100 . 1 . . . . 225 GLU CA . 15001 1 658 . 1 1 71 71 GLU CB C 13 31.703 0.100 . 1 . . . . 225 GLU CB . 15001 1 659 . 1 1 71 71 GLU N N 15 121.489 0.100 . 1 . . . . 225 GLU N . 15001 1 660 . 1 1 72 72 GLY H H 1 8.732 0.020 . 1 . . . . 226 GLY H . 15001 1 661 . 1 1 72 72 GLY HA2 H 1 3.929 0.020 . 2 . . . . 226 GLY HA2 . 15001 1 662 . 1 1 72 72 GLY HA3 H 1 4.622 0.020 . 2 . . . . 226 GLY HA3 . 15001 1 663 . 1 1 72 72 GLY CA C 13 44.236 0.100 . 1 . . . . 226 GLY CA . 15001 1 664 . 1 1 72 72 GLY N N 15 108.403 0.100 . 1 . . . . 226 GLY N . 15001 1 665 . 1 1 73 73 GLY H H 1 8.091 0.020 . 1 . . . . 227 GLY H . 15001 1 666 . 1 1 73 73 GLY HA2 H 1 3.862 0.020 . 2 . . . . 227 GLY HA2 . 15001 1 667 . 1 1 73 73 GLY HA3 H 1 4.309 0.020 . 2 . . . . 227 GLY HA3 . 15001 1 668 . 1 1 73 73 GLY CA C 13 44.676 0.100 . 1 . . . . 227 GLY CA . 15001 1 669 . 1 1 73 73 GLY N N 15 106.589 0.100 . 1 . . . . 227 GLY N . 15001 1 670 . 1 1 74 74 ASN H H 1 8.855 0.020 . 1 . . . . 228 ASN H . 15001 1 671 . 1 1 74 74 ASN HA H 1 4.744 0.020 . 1 . . . . 228 ASN HA . 15001 1 672 . 1 1 74 74 ASN HB2 H 1 2.958 0.020 . 2 . . . . 228 ASN HB2 . 15001 1 673 . 1 1 74 74 ASN HB3 H 1 2.958 0.020 . 2 . . . . 228 ASN HB3 . 15001 1 674 . 1 1 74 74 ASN HD21 H 1 7.840 0.020 . 1 . . . . 228 ASN HD21 . 15001 1 675 . 1 1 74 74 ASN HD22 H 1 7.059 0.020 . 1 . . . . 228 ASN HD22 . 15001 1 676 . 1 1 74 74 ASN CA C 13 52.858 0.100 . 1 . . . . 228 ASN CA . 15001 1 677 . 1 1 74 74 ASN CB C 13 37.601 0.100 . 1 . . . . 228 ASN CB . 15001 1 678 . 1 1 74 74 ASN N N 15 121.486 0.100 . 1 . . . . 228 ASN N . 15001 1 679 . 1 1 74 74 ASN ND2 N 15 113.942 0.100 . 1 . . . . 228 ASN ND2 . 15001 1 680 . 1 1 75 75 LEU H H 1 8.228 0.020 . 1 . . . . 229 LEU H . 15001 1 681 . 1 1 75 75 LEU HA H 1 4.414 0.020 . 1 . . . . 229 LEU HA . 15001 1 682 . 1 1 75 75 LEU HB2 H 1 1.287 0.020 . 2 . . . . 229 LEU HB2 . 15001 1 683 . 1 1 75 75 LEU HB3 H 1 1.785 0.020 . 2 . . . . 229 LEU HB3 . 15001 1 684 . 1 1 75 75 LEU HG H 1 1.606 0.020 . 1 . . . . 229 LEU HG . 15001 1 685 . 1 1 75 75 LEU HD11 H 1 0.591 0.020 . 2 . . . . 229 LEU HD1 . 15001 1 686 . 1 1 75 75 LEU HD12 H 1 0.591 0.020 . 2 . . . . 229 LEU HD1 . 15001 1 687 . 1 1 75 75 LEU HD13 H 1 0.591 0.020 . 2 . . . . 229 LEU HD1 . 15001 1 688 . 1 1 75 75 LEU HD21 H 1 0.610 0.020 . 2 . . . . 229 LEU HD2 . 15001 1 689 . 1 1 75 75 LEU HD22 H 1 0.610 0.020 . 2 . . . . 229 LEU HD2 . 15001 1 690 . 1 1 75 75 LEU HD23 H 1 0.610 0.020 . 2 . . . . 229 LEU HD2 . 15001 1 691 . 1 1 75 75 LEU CA C 13 54.544 0.100 . 1 . . . . 229 LEU CA . 15001 1 692 . 1 1 75 75 LEU CB C 13 43.117 0.100 . 1 . . . . 229 LEU CB . 15001 1 693 . 1 1 75 75 LEU CG C 13 25.634 0.100 . 1 . . . . 229 LEU CG . 15001 1 694 . 1 1 75 75 LEU CD1 C 13 22.095 0.100 . 2 . . . . 229 LEU CD1 . 15001 1 695 . 1 1 75 75 LEU CD2 C 13 24.655 0.100 . 2 . . . . 229 LEU CD2 . 15001 1 696 . 1 1 75 75 LEU N N 15 120.047 0.100 . 1 . . . . 229 LEU N . 15001 1 697 . 1 1 76 76 ILE H H 1 9.371 0.020 . 1 . . . . 230 ILE H . 15001 1 698 . 1 1 76 76 ILE HA H 1 4.247 0.020 . 1 . . . . 230 ILE HA . 15001 1 699 . 1 1 76 76 ILE HB H 1 2.030 0.020 . 1 . . . . 230 ILE HB . 15001 1 700 . 1 1 76 76 ILE HG12 H 1 1.154 0.020 . 2 . . . . 230 ILE HG12 . 15001 1 701 . 1 1 76 76 ILE HG13 H 1 1.355 0.020 . 2 . . . . 230 ILE HG13 . 15001 1 702 . 1 1 76 76 ILE HG21 H 1 0.581 0.020 . 1 . . . . 230 ILE HG2 . 15001 1 703 . 1 1 76 76 ILE HG22 H 1 0.581 0.020 . 1 . . . . 230 ILE HG2 . 15001 1 704 . 1 1 76 76 ILE HG23 H 1 0.581 0.020 . 1 . . . . 230 ILE HG2 . 15001 1 705 . 1 1 76 76 ILE HD11 H 1 0.659 0.020 . 1 . . . . 230 ILE HD1 . 15001 1 706 . 1 1 76 76 ILE HD12 H 1 0.659 0.020 . 1 . . . . 230 ILE HD1 . 15001 1 707 . 1 1 76 76 ILE HD13 H 1 0.659 0.020 . 1 . . . . 230 ILE HD1 . 15001 1 708 . 1 1 76 76 ILE CA C 13 60.467 0.100 . 1 . . . . 230 ILE CA . 15001 1 709 . 1 1 76 76 ILE CB C 13 37.141 0.100 . 1 . . . . 230 ILE CB . 15001 1 710 . 1 1 76 76 ILE CG1 C 13 26.728 0.100 . 1 . . . . 230 ILE CG1 . 15001 1 711 . 1 1 76 76 ILE CG2 C 13 17.697 0.100 . 1 . . . . 230 ILE CG2 . 15001 1 712 . 1 1 76 76 ILE CD1 C 13 12.802 0.100 . 1 . . . . 230 ILE CD1 . 15001 1 713 . 1 1 76 76 ILE N N 15 124.803 0.100 . 1 . . . . 230 ILE N . 15001 1 714 . 1 1 77 77 CYS H H 1 8.685 0.020 . 1 . . . . 231 CYS H . 15001 1 715 . 1 1 77 77 CYS HA H 1 4.841 0.020 . 1 . . . . 231 CYS HA . 15001 1 716 . 1 1 77 77 CYS HB2 H 1 2.944 0.020 . 2 . . . . 231 CYS HB2 . 15001 1 717 . 1 1 77 77 CYS HB3 H 1 3.221 0.020 . 2 . . . . 231 CYS HB3 . 15001 1 718 . 1 1 77 77 CYS CA C 13 58.851 0.100 . 1 . . . . 231 CYS CA . 15001 1 719 . 1 1 77 77 CYS CB C 13 28.509 0.100 . 1 . . . . 231 CYS CB . 15001 1 720 . 1 1 77 77 CYS N N 15 125.408 0.100 . 1 . . . . 231 CYS N . 15001 1 721 . 1 1 78 78 CYS H H 1 8.786 0.020 . 1 . . . . 232 CYS H . 15001 1 722 . 1 1 78 78 CYS HA H 1 4.296 0.020 . 1 . . . . 232 CYS HA . 15001 1 723 . 1 1 78 78 CYS HB2 H 1 2.570 0.020 . 1 . . . . 232 CYS HB2 . 15001 1 724 . 1 1 78 78 CYS HB3 H 1 3.239 0.020 . 1 . . . . 232 CYS HB3 . 15001 1 725 . 1 1 78 78 CYS CA C 13 61.385 0.100 . 1 . . . . 232 CYS CA . 15001 1 726 . 1 1 78 78 CYS CB C 13 30.987 0.100 . 1 . . . . 232 CYS CB . 15001 1 727 . 1 1 78 78 CYS N N 15 125.794 0.100 . 1 . . . . 232 CYS N . 15001 1 728 . 1 1 79 79 ASP H H 1 8.616 0.020 . 1 . . . . 233 ASP H . 15001 1 729 . 1 1 79 79 ASP HA H 1 4.810 0.020 . 1 . . . . 233 ASP HA . 15001 1 730 . 1 1 79 79 ASP HB2 H 1 2.115 0.020 . 2 . . . . 233 ASP HB2 . 15001 1 731 . 1 1 79 79 ASP HB3 H 1 2.405 0.020 . 2 . . . . 233 ASP HB3 . 15001 1 732 . 1 1 79 79 ASP CA C 13 56.527 0.100 . 1 . . . . 233 ASP CA . 15001 1 733 . 1 1 79 79 ASP CB C 13 41.092 0.100 . 1 . . . . 233 ASP CB . 15001 1 734 . 1 1 79 79 ASP N N 15 124.265 0.100 . 1 . . . . 233 ASP N . 15001 1 735 . 1 1 80 80 PHE H H 1 10.325 0.020 . 1 . . . . 234 PHE H . 15001 1 736 . 1 1 80 80 PHE HA H 1 4.516 0.020 . 1 . . . . 234 PHE HA . 15001 1 737 . 1 1 80 80 PHE HB2 H 1 2.948 0.020 . 2 . . . . 234 PHE HB2 . 15001 1 738 . 1 1 80 80 PHE HB3 H 1 3.185 0.020 . 2 . . . . 234 PHE HB3 . 15001 1 739 . 1 1 80 80 PHE HD1 H 1 6.896 0.020 . 1 . . . . 234 PHE HD1 . 15001 1 740 . 1 1 80 80 PHE HD2 H 1 6.896 0.020 . 1 . . . . 234 PHE HD2 . 15001 1 741 . 1 1 80 80 PHE HE1 H 1 6.561 0.020 . 1 . . . . 234 PHE HE1 . 15001 1 742 . 1 1 80 80 PHE HE2 H 1 6.561 0.020 . 1 . . . . 234 PHE HE2 . 15001 1 743 . 1 1 80 80 PHE HZ H 1 6.762 0.020 . 1 . . . . 234 PHE HZ . 15001 1 744 . 1 1 80 80 PHE CA C 13 59.885 0.100 . 1 . . . . 234 PHE CA . 15001 1 745 . 1 1 80 80 PHE CB C 13 41.570 0.100 . 1 . . . . 234 PHE CB . 15001 1 746 . 1 1 80 80 PHE CD1 C 13 131.646 0.100 . 1 . . . . 234 PHE CD1 . 15001 1 747 . 1 1 80 80 PHE CD2 C 13 131.646 0.100 . 1 . . . . 234 PHE CD2 . 15001 1 748 . 1 1 80 80 PHE N N 15 122.212 0.100 . 1 . . . . 234 PHE N . 15001 1 749 . 1 1 81 81 CYS H H 1 8.590 0.020 . 1 . . . . 235 CYS H . 15001 1 750 . 1 1 81 81 CYS HA H 1 5.166 0.020 . 1 . . . . 235 CYS HA . 15001 1 751 . 1 1 81 81 CYS HB2 H 1 2.731 0.020 . 1 . . . . 235 CYS HB2 . 15001 1 752 . 1 1 81 81 CYS HB3 H 1 3.264 0.020 . 1 . . . . 235 CYS HB3 . 15001 1 753 . 1 1 81 81 CYS CA C 13 57.891 0.100 . 1 . . . . 235 CYS CA . 15001 1 754 . 1 1 81 81 CYS CB C 13 31.505 0.100 . 1 . . . . 235 CYS CB . 15001 1 755 . 1 1 81 81 CYS N N 15 125.013 0.100 . 1 . . . . 235 CYS N . 15001 1 756 . 1 1 82 82 HIS H H 1 7.001 0.020 . 1 . . . . 236 HIS H . 15001 1 757 . 1 1 82 82 HIS HA H 1 5.056 0.020 . 1 . . . . 236 HIS HA . 15001 1 758 . 1 1 82 82 HIS HB2 H 1 3.244 0.020 . 2 . . . . 236 HIS HB2 . 15001 1 759 . 1 1 82 82 HIS HB3 H 1 3.726 0.020 . 2 . . . . 236 HIS HB3 . 15001 1 760 . 1 1 82 82 HIS HD2 H 1 7.507 0.020 . 1 . . . . 236 HIS HD2 . 15001 1 761 . 1 1 82 82 HIS HE1 H 1 7.720 0.020 . 1 . . . . 236 HIS HE1 . 15001 1 762 . 1 1 82 82 HIS CA C 13 55.555 0.100 . 1 . . . . 236 HIS CA . 15001 1 763 . 1 1 82 82 HIS CB C 13 29.485 0.100 . 1 . . . . 236 HIS CB . 15001 1 764 . 1 1 82 82 HIS CD2 C 13 121.656 0.100 . 1 . . . . 236 HIS CD2 . 15001 1 765 . 1 1 82 82 HIS CE1 C 13 138.509 0.100 . 1 . . . . 236 HIS CE1 . 15001 1 766 . 1 1 82 82 HIS N N 15 113.006 0.100 . 1 . . . . 236 HIS N . 15001 1 767 . 1 1 83 83 ASN H H 1 9.167 0.020 . 1 . . . . 237 ASN H . 15001 1 768 . 1 1 83 83 ASN CA C 13 55.581 0.100 . 1 . . . . 237 ASN CA . 15001 1 769 . 1 1 83 83 ASN CB C 13 41.520 0.100 . 1 . . . . 237 ASN CB . 15001 1 770 . 1 1 83 83 ASN N N 15 123.394 0.100 . 1 . . . . 237 ASN N . 15001 1 771 . 1 1 84 84 ALA H H 1 9.683 0.020 . 1 . . . . 238 ALA H . 15001 1 772 . 1 1 84 84 ALA HA H 1 5.384 0.020 . 1 . . . . 238 ALA HA . 15001 1 773 . 1 1 84 84 ALA HB1 H 1 1.380 0.020 . 1 . . . . 238 ALA HB . 15001 1 774 . 1 1 84 84 ALA HB2 H 1 1.380 0.020 . 1 . . . . 238 ALA HB . 15001 1 775 . 1 1 84 84 ALA HB3 H 1 1.380 0.020 . 1 . . . . 238 ALA HB . 15001 1 776 . 1 1 84 84 ALA CA C 13 50.715 0.100 . 1 . . . . 238 ALA CA . 15001 1 777 . 1 1 84 84 ALA CB C 13 24.820 0.100 . 1 . . . . 238 ALA CB . 15001 1 778 . 1 1 84 84 ALA N N 15 122.104 0.100 . 1 . . . . 238 ALA N . 15001 1 779 . 1 1 85 85 PHE H H 1 9.265 0.020 . 1 . . . . 239 PHE H . 15001 1 780 . 1 1 85 85 PHE HA H 1 6.025 0.020 . 1 . . . . 239 PHE HA . 15001 1 781 . 1 1 85 85 PHE HB2 H 1 3.301 0.020 . 1 . . . . 239 PHE HB2 . 15001 1 782 . 1 1 85 85 PHE HB3 H 1 3.487 0.020 . 1 . . . . 239 PHE HB3 . 15001 1 783 . 1 1 85 85 PHE HD1 H 1 7.879 0.020 . 1 . . . . 239 PHE HD1 . 15001 1 784 . 1 1 85 85 PHE HD2 H 1 7.879 0.020 . 1 . . . . 239 PHE HD2 . 15001 1 785 . 1 1 85 85 PHE HE1 H 1 7.561 0.020 . 1 . . . . 239 PHE HE1 . 15001 1 786 . 1 1 85 85 PHE HE2 H 1 7.561 0.020 . 1 . . . . 239 PHE HE2 . 15001 1 787 . 1 1 85 85 PHE HZ H 1 7.232 0.020 . 1 . . . . 239 PHE HZ . 15001 1 788 . 1 1 85 85 PHE CA C 13 56.440 0.100 . 1 . . . . 239 PHE CA . 15001 1 789 . 1 1 85 85 PHE CB C 13 44.620 0.100 . 1 . . . . 239 PHE CB . 15001 1 790 . 1 1 85 85 PHE CD1 C 13 132.766 0.100 . 1 . . . . 239 PHE CD1 . 15001 1 791 . 1 1 85 85 PHE CD2 C 13 132.766 0.100 . 1 . . . . 239 PHE CD2 . 15001 1 792 . 1 1 85 85 PHE N N 15 116.724 0.100 . 1 . . . . 239 PHE N . 15001 1 793 . 1 1 86 86 CYS H H 1 10.982 0.020 . 1 . . . . 240 CYS H . 15001 1 794 . 1 1 86 86 CYS HA H 1 5.488 0.020 . 1 . . . . 240 CYS HA . 15001 1 795 . 1 1 86 86 CYS HB2 H 1 3.625 0.020 . 1 . . . . 240 CYS HB2 . 15001 1 796 . 1 1 86 86 CYS HB3 H 1 2.955 0.020 . 1 . . . . 240 CYS HB3 . 15001 1 797 . 1 1 86 86 CYS CA C 13 56.645 0.100 . 1 . . . . 240 CYS CA . 15001 1 798 . 1 1 86 86 CYS CB C 13 32.174 0.100 . 1 . . . . 240 CYS CB . 15001 1 799 . 1 1 86 86 CYS N N 15 126.181 0.100 . 1 . . . . 240 CYS N . 15001 1 800 . 1 1 87 87 LYS H H 1 8.364 0.020 . 1 . . . . 241 LYS H . 15001 1 801 . 1 1 87 87 LYS HA H 1 3.870 0.020 . 1 . . . . 241 LYS HA . 15001 1 802 . 1 1 87 87 LYS HB2 H 1 1.753 0.020 . 2 . . . . 241 LYS HB2 . 15001 1 803 . 1 1 87 87 LYS HB3 H 1 1.972 0.020 . 2 . . . . 241 LYS HB3 . 15001 1 804 . 1 1 87 87 LYS CA C 13 59.707 0.100 . 1 . . . . 241 LYS CA . 15001 1 805 . 1 1 87 87 LYS CB C 13 32.794 0.100 . 1 . . . . 241 LYS CB . 15001 1 806 . 1 1 87 87 LYS CG C 13 25.839 0.100 . 1 . . . . 241 LYS CG . 15001 1 807 . 1 1 87 87 LYS CD C 13 29.832 0.100 . 1 . . . . 241 LYS CD . 15001 1 808 . 1 1 87 87 LYS N N 15 117.628 0.100 . 1 . . . . 241 LYS N . 15001 1 809 . 1 1 88 88 LYS H H 1 7.941 0.020 . 1 . . . . 242 LYS H . 15001 1 810 . 1 1 88 88 LYS HA H 1 3.998 0.020 . 1 . . . . 242 LYS HA . 15001 1 811 . 1 1 88 88 LYS HB2 H 1 2.047 0.020 . 2 . . . . 242 LYS HB2 . 15001 1 812 . 1 1 88 88 LYS HB3 H 1 2.318 0.020 . 2 . . . . 242 LYS HB3 . 15001 1 813 . 1 1 88 88 LYS HE2 H 1 3.115 0.020 . 2 . . . . 242 LYS HE2 . 15001 1 814 . 1 1 88 88 LYS HE3 H 1 3.115 0.020 . 2 . . . . 242 LYS HE3 . 15001 1 815 . 1 1 88 88 LYS CA C 13 60.345 0.100 . 1 . . . . 242 LYS CA . 15001 1 816 . 1 1 88 88 LYS CB C 13 32.122 0.100 . 1 . . . . 242 LYS CB . 15001 1 817 . 1 1 88 88 LYS CG C 13 24.775 0.100 . 1 . . . . 242 LYS CG . 15001 1 818 . 1 1 88 88 LYS CD C 13 29.206 0.100 . 1 . . . . 242 LYS CD . 15001 1 819 . 1 1 88 88 LYS CE C 13 41.478 0.100 . 1 . . . . 242 LYS CE . 15001 1 820 . 1 1 88 88 LYS N N 15 118.838 0.100 . 1 . . . . 242 LYS N . 15001 1 821 . 1 1 89 89 CYS H H 1 9.267 0.020 . 1 . . . . 243 CYS H . 15001 1 822 . 1 1 89 89 CYS HA H 1 3.739 0.020 . 1 . . . . 243 CYS HA . 15001 1 823 . 1 1 89 89 CYS HB2 H 1 2.410 0.020 . 1 . . . . 243 CYS HB2 . 15001 1 824 . 1 1 89 89 CYS HB3 H 1 3.153 0.020 . 1 . . . . 243 CYS HB3 . 15001 1 825 . 1 1 89 89 CYS CA C 13 64.739 0.100 . 1 . . . . 243 CYS CA . 15001 1 826 . 1 1 89 89 CYS CB C 13 28.002 0.100 . 1 . . . . 243 CYS CB . 15001 1 827 . 1 1 89 89 CYS N N 15 125.500 0.100 . 1 . . . . 243 CYS N . 15001 1 828 . 1 1 90 90 ILE H H 1 7.865 0.020 . 1 . . . . 244 ILE H . 15001 1 829 . 1 1 90 90 ILE HA H 1 3.634 0.020 . 1 . . . . 244 ILE HA . 15001 1 830 . 1 1 90 90 ILE HB H 1 1.800 0.020 . 1 . . . . 244 ILE HB . 15001 1 831 . 1 1 90 90 ILE HG12 H 1 1.568 0.020 . 2 . . . . 244 ILE HG12 . 15001 1 832 . 1 1 90 90 ILE HG13 H 1 2.153 0.020 . 2 . . . . 244 ILE HG13 . 15001 1 833 . 1 1 90 90 ILE HG21 H 1 0.970 0.020 . 1 . . . . 244 ILE HG2 . 15001 1 834 . 1 1 90 90 ILE HG22 H 1 0.970 0.020 . 1 . . . . 244 ILE HG2 . 15001 1 835 . 1 1 90 90 ILE HG23 H 1 0.970 0.020 . 1 . . . . 244 ILE HG2 . 15001 1 836 . 1 1 90 90 ILE HD11 H 1 0.867 0.020 . 1 . . . . 244 ILE HD1 . 15001 1 837 . 1 1 90 90 ILE HD12 H 1 0.867 0.020 . 1 . . . . 244 ILE HD1 . 15001 1 838 . 1 1 90 90 ILE HD13 H 1 0.867 0.020 . 1 . . . . 244 ILE HD1 . 15001 1 839 . 1 1 90 90 ILE CA C 13 65.751 0.100 . 1 . . . . 244 ILE CA . 15001 1 840 . 1 1 90 90 ILE CB C 13 38.744 0.100 . 1 . . . . 244 ILE CB . 15001 1 841 . 1 1 90 90 ILE CG1 C 13 28.314 0.100 . 1 . . . . 244 ILE CG1 . 15001 1 842 . 1 1 90 90 ILE CG2 C 13 17.558 0.100 . 1 . . . . 244 ILE CG2 . 15001 1 843 . 1 1 90 90 ILE CD1 C 13 13.707 0.100 . 1 . . . . 244 ILE CD1 . 15001 1 844 . 1 1 90 90 ILE N N 15 119.795 0.100 . 1 . . . . 244 ILE N . 15001 1 845 . 1 1 91 91 LEU H H 1 8.779 0.020 . 1 . . . . 245 LEU H . 15001 1 846 . 1 1 91 91 LEU HA H 1 3.712 0.020 . 1 . . . . 245 LEU HA . 15001 1 847 . 1 1 91 91 LEU HB2 H 1 1.566 0.020 . 2 . . . . 245 LEU HB2 . 15001 1 848 . 1 1 91 91 LEU HB3 H 1 1.861 0.020 . 2 . . . . 245 LEU HB3 . 15001 1 849 . 1 1 91 91 LEU HG H 1 1.659 0.020 . 1 . . . . 245 LEU HG . 15001 1 850 . 1 1 91 91 LEU HD11 H 1 0.863 0.020 . 2 . . . . 245 LEU HD1 . 15001 1 851 . 1 1 91 91 LEU HD12 H 1 0.863 0.020 . 2 . . . . 245 LEU HD1 . 15001 1 852 . 1 1 91 91 LEU HD13 H 1 0.863 0.020 . 2 . . . . 245 LEU HD1 . 15001 1 853 . 1 1 91 91 LEU HD21 H 1 0.873 0.020 . 2 . . . . 245 LEU HD2 . 15001 1 854 . 1 1 91 91 LEU HD22 H 1 0.873 0.020 . 2 . . . . 245 LEU HD2 . 15001 1 855 . 1 1 91 91 LEU HD23 H 1 0.873 0.020 . 2 . . . . 245 LEU HD2 . 15001 1 856 . 1 1 91 91 LEU CA C 13 58.429 0.100 . 1 . . . . 245 LEU CA . 15001 1 857 . 1 1 91 91 LEU CB C 13 42.218 0.100 . 1 . . . . 245 LEU CB . 15001 1 858 . 1 1 91 91 LEU CD1 C 13 23.339 0.100 . 2 . . . . 245 LEU CD1 . 15001 1 859 . 1 1 91 91 LEU CD2 C 13 23.972 0.100 . 2 . . . . 245 LEU CD2 . 15001 1 860 . 1 1 91 91 LEU N N 15 120.336 0.100 . 1 . . . . 245 LEU N . 15001 1 861 . 1 1 92 92 ARG H H 1 8.105 0.020 . 1 . . . . 246 ARG H . 15001 1 862 . 1 1 92 92 ARG HA H 1 3.849 0.020 . 1 . . . . 246 ARG HA . 15001 1 863 . 1 1 92 92 ARG HB2 H 1 1.911 0.020 . 2 . . . . 246 ARG HB2 . 15001 1 864 . 1 1 92 92 ARG HB3 H 1 1.911 0.020 . 2 . . . . 246 ARG HB3 . 15001 1 865 . 1 1 92 92 ARG CA C 13 58.725 0.100 . 1 . . . . 246 ARG CA . 15001 1 866 . 1 1 92 92 ARG CB C 13 30.670 0.100 . 1 . . . . 246 ARG CB . 15001 1 867 . 1 1 92 92 ARG N N 15 117.121 0.100 . 1 . . . . 246 ARG N . 15001 1 868 . 1 1 93 93 ASN H H 1 7.167 0.020 . 1 . . . . 247 ASN H . 15001 1 869 . 1 1 93 93 ASN HA H 1 4.633 0.020 . 1 . . . . 247 ASN HA . 15001 1 870 . 1 1 93 93 ASN HB2 H 1 2.234 0.020 . 2 . . . . 247 ASN HB2 . 15001 1 871 . 1 1 93 93 ASN HB3 H 1 2.524 0.020 . 2 . . . . 247 ASN HB3 . 15001 1 872 . 1 1 93 93 ASN CA C 13 55.924 0.100 . 1 . . . . 247 ASN CA . 15001 1 873 . 1 1 93 93 ASN CB C 13 41.836 0.100 . 1 . . . . 247 ASN CB . 15001 1 874 . 1 1 93 93 ASN N N 15 111.300 0.100 . 1 . . . . 247 ASN N . 15001 1 875 . 1 1 94 94 LEU H H 1 8.474 0.020 . 1 . . . . 248 LEU H . 15001 1 876 . 1 1 94 94 LEU HA H 1 4.857 0.020 . 1 . . . . 248 LEU HA . 15001 1 877 . 1 1 94 94 LEU HB2 H 1 1.690 0.020 . 2 . . . . 248 LEU HB2 . 15001 1 878 . 1 1 94 94 LEU HB3 H 1 2.036 0.020 . 2 . . . . 248 LEU HB3 . 15001 1 879 . 1 1 94 94 LEU HD11 H 1 0.963 0.020 . 2 . . . . 248 LEU HD1 . 15001 1 880 . 1 1 94 94 LEU HD12 H 1 0.963 0.020 . 2 . . . . 248 LEU HD1 . 15001 1 881 . 1 1 94 94 LEU HD13 H 1 0.963 0.020 . 2 . . . . 248 LEU HD1 . 15001 1 882 . 1 1 94 94 LEU HD21 H 1 0.963 0.020 . 2 . . . . 248 LEU HD2 . 15001 1 883 . 1 1 94 94 LEU HD22 H 1 0.963 0.020 . 2 . . . . 248 LEU HD2 . 15001 1 884 . 1 1 94 94 LEU HD23 H 1 0.963 0.020 . 2 . . . . 248 LEU HD2 . 15001 1 885 . 1 1 94 94 LEU CA C 13 55.189 0.100 . 1 . . . . 248 LEU CA . 15001 1 886 . 1 1 94 94 LEU CB C 13 43.414 0.100 . 1 . . . . 248 LEU CB . 15001 1 887 . 1 1 94 94 LEU CD1 C 13 25.458 0.100 . 2 . . . . 248 LEU CD1 . 15001 1 888 . 1 1 94 94 LEU CD2 C 13 25.458 0.100 . 2 . . . . 248 LEU CD2 . 15001 1 889 . 1 1 94 94 LEU N N 15 119.184 0.100 . 1 . . . . 248 LEU N . 15001 1 890 . 1 1 95 95 GLY H H 1 7.985 0.020 . 1 . . . . 249 GLY H . 15001 1 891 . 1 1 95 95 GLY HA2 H 1 4.204 0.020 . 2 . . . . 249 GLY HA2 . 15001 1 892 . 1 1 95 95 GLY HA3 H 1 4.665 0.020 . 2 . . . . 249 GLY HA3 . 15001 1 893 . 1 1 95 95 GLY CA C 13 44.488 0.100 . 1 . . . . 249 GLY CA . 15001 1 894 . 1 1 95 95 GLY N N 15 108.515 0.100 . 1 . . . . 249 GLY N . 15001 1 895 . 1 1 96 96 ARG H H 1 8.551 0.020 . 1 . . . . 250 ARG H . 15001 1 896 . 1 1 96 96 ARG HA H 1 3.864 0.020 . 1 . . . . 250 ARG HA . 15001 1 897 . 1 1 96 96 ARG HB2 H 1 1.894 0.020 . 2 . . . . 250 ARG HB2 . 15001 1 898 . 1 1 96 96 ARG HB3 H 1 1.894 0.020 . 2 . . . . 250 ARG HB3 . 15001 1 899 . 1 1 96 96 ARG CA C 13 58.696 0.100 . 1 . . . . 250 ARG CA . 15001 1 900 . 1 1 96 96 ARG CB C 13 30.121 0.100 . 1 . . . . 250 ARG CB . 15001 1 901 . 1 1 96 96 ARG N N 15 118.208 0.100 . 1 . . . . 250 ARG N . 15001 1 902 . 1 1 97 97 LYS H H 1 8.579 0.020 . 1 . . . . 251 LYS H . 15001 1 903 . 1 1 97 97 LYS HA H 1 4.182 0.020 . 1 . . . . 251 LYS HA . 15001 1 904 . 1 1 97 97 LYS HB2 H 1 1.962 0.020 . 2 . . . . 251 LYS HB2 . 15001 1 905 . 1 1 97 97 LYS HB3 H 1 1.962 0.020 . 2 . . . . 251 LYS HB3 . 15001 1 906 . 1 1 97 97 LYS CA C 13 59.007 0.100 . 1 . . . . 251 LYS CA . 15001 1 907 . 1 1 97 97 LYS CB C 13 31.359 0.100 . 1 . . . . 251 LYS CB . 15001 1 908 . 1 1 97 97 LYS N N 15 121.459 0.100 . 1 . . . . 251 LYS N . 15001 1 909 . 1 1 98 98 GLU H H 1 7.751 0.020 . 1 . . . . 252 GLU H . 15001 1 910 . 1 1 98 98 GLU HA H 1 4.366 0.020 . 1 . . . . 252 GLU HA . 15001 1 911 . 1 1 98 98 GLU HB2 H 1 1.786 0.020 . 2 . . . . 252 GLU HB2 . 15001 1 912 . 1 1 98 98 GLU HB3 H 1 1.786 0.020 . 2 . . . . 252 GLU HB3 . 15001 1 913 . 1 1 98 98 GLU CA C 13 58.330 0.100 . 1 . . . . 252 GLU CA . 15001 1 914 . 1 1 98 98 GLU CB C 13 28.386 0.100 . 1 . . . . 252 GLU CB . 15001 1 915 . 1 1 98 98 GLU N N 15 122.221 0.100 . 1 . . . . 252 GLU N . 15001 1 916 . 1 1 99 99 LEU H H 1 7.345 0.020 . 1 . . . . 253 LEU H . 15001 1 917 . 1 1 99 99 LEU HA H 1 3.948 0.020 . 1 . . . . 253 LEU HA . 15001 1 918 . 1 1 99 99 LEU HB2 H 1 1.317 0.020 . 2 . . . . 253 LEU HB2 . 15001 1 919 . 1 1 99 99 LEU HB3 H 1 1.982 0.020 . 2 . . . . 253 LEU HB3 . 15001 1 920 . 1 1 99 99 LEU HG H 1 1.678 0.020 . 1 . . . . 253 LEU HG . 15001 1 921 . 1 1 99 99 LEU HD11 H 1 0.864 0.020 . 2 . . . . 253 LEU HD1 . 15001 1 922 . 1 1 99 99 LEU HD12 H 1 0.864 0.020 . 2 . . . . 253 LEU HD1 . 15001 1 923 . 1 1 99 99 LEU HD13 H 1 0.864 0.020 . 2 . . . . 253 LEU HD1 . 15001 1 924 . 1 1 99 99 LEU HD21 H 1 0.983 0.020 . 2 . . . . 253 LEU HD2 . 15001 1 925 . 1 1 99 99 LEU HD22 H 1 0.983 0.020 . 2 . . . . 253 LEU HD2 . 15001 1 926 . 1 1 99 99 LEU HD23 H 1 0.983 0.020 . 2 . . . . 253 LEU HD2 . 15001 1 927 . 1 1 99 99 LEU CA C 13 57.749 0.100 . 1 . . . . 253 LEU CA . 15001 1 928 . 1 1 99 99 LEU CB C 13 41.436 0.100 . 1 . . . . 253 LEU CB . 15001 1 929 . 1 1 99 99 LEU CD1 C 13 23.710 0.100 . 2 . . . . 253 LEU CD1 . 15001 1 930 . 1 1 99 99 LEU CD2 C 13 25.840 0.100 . 2 . . . . 253 LEU CD2 . 15001 1 931 . 1 1 99 99 LEU N N 15 117.884 0.100 . 1 . . . . 253 LEU N . 15001 1 932 . 1 1 100 100 SER H H 1 8.413 0.020 . 1 . . . . 254 SER H . 15001 1 933 . 1 1 100 100 SER HA H 1 4.145 0.020 . 1 . . . . 254 SER HA . 15001 1 934 . 1 1 100 100 SER HB2 H 1 4.047 0.020 . 2 . . . . 254 SER HB2 . 15001 1 935 . 1 1 100 100 SER HB3 H 1 4.047 0.020 . 2 . . . . 254 SER HB3 . 15001 1 936 . 1 1 100 100 SER CA C 13 61.489 0.100 . 1 . . . . 254 SER CA . 15001 1 937 . 1 1 100 100 SER CB C 13 62.387 0.100 . 1 . . . . 254 SER CB . 15001 1 938 . 1 1 100 100 SER N N 15 112.805 0.100 . 1 . . . . 254 SER N . 15001 1 939 . 1 1 101 101 THR H H 1 7.999 0.020 . 1 . . . . 255 THR H . 15001 1 940 . 1 1 101 101 THR HA H 1 4.086 0.020 . 1 . . . . 255 THR HA . 15001 1 941 . 1 1 101 101 THR HB H 1 4.488 0.020 . 1 . . . . 255 THR HB . 15001 1 942 . 1 1 101 101 THR HG21 H 1 1.363 0.020 . 1 . . . . 255 THR HG2 . 15001 1 943 . 1 1 101 101 THR HG22 H 1 1.363 0.020 . 1 . . . . 255 THR HG2 . 15001 1 944 . 1 1 101 101 THR HG23 H 1 1.363 0.020 . 1 . . . . 255 THR HG2 . 15001 1 945 . 1 1 101 101 THR CA C 13 65.880 0.100 . 1 . . . . 255 THR CA . 15001 1 946 . 1 1 101 101 THR CB C 13 68.756 0.100 . 1 . . . . 255 THR CB . 15001 1 947 . 1 1 101 101 THR CG2 C 13 21.105 0.100 . 1 . . . . 255 THR CG2 . 15001 1 948 . 1 1 101 101 THR N N 15 118.186 0.100 . 1 . . . . 255 THR N . 15001 1 949 . 1 1 102 102 ILE H H 1 7.856 0.020 . 1 . . . . 256 ILE H . 15001 1 950 . 1 1 102 102 ILE HA H 1 3.412 0.020 . 1 . . . . 256 ILE HA . 15001 1 951 . 1 1 102 102 ILE HB H 1 1.271 0.020 . 1 . . . . 256 ILE HB . 15001 1 952 . 1 1 102 102 ILE HG12 H 1 0.003 0.020 . 2 . . . . 256 ILE HG12 . 15001 1 953 . 1 1 102 102 ILE HG13 H 1 1.354 0.020 . 2 . . . . 256 ILE HG13 . 15001 1 954 . 1 1 102 102 ILE HG21 H 1 0.102 0.020 . 1 . . . . 256 ILE HG2 . 15001 1 955 . 1 1 102 102 ILE HG22 H 1 0.102 0.020 . 1 . . . . 256 ILE HG2 . 15001 1 956 . 1 1 102 102 ILE HG23 H 1 0.102 0.020 . 1 . . . . 256 ILE HG2 . 15001 1 957 . 1 1 102 102 ILE HD11 H 1 0.346 0.020 . 1 . . . . 256 ILE HD1 . 15001 1 958 . 1 1 102 102 ILE HD12 H 1 0.346 0.020 . 1 . . . . 256 ILE HD1 . 15001 1 959 . 1 1 102 102 ILE HD13 H 1 0.346 0.020 . 1 . . . . 256 ILE HD1 . 15001 1 960 . 1 1 102 102 ILE CA C 13 64.955 0.100 . 1 . . . . 256 ILE CA . 15001 1 961 . 1 1 102 102 ILE CB C 13 37.865 0.100 . 1 . . . . 256 ILE CB . 15001 1 962 . 1 1 102 102 ILE CG1 C 13 26.774 0.100 . 1 . . . . 256 ILE CG1 . 15001 1 963 . 1 1 102 102 ILE CG2 C 13 16.601 0.100 . 1 . . . . 256 ILE CG2 . 15001 1 964 . 1 1 102 102 ILE CD1 C 13 15.050 0.100 . 1 . . . . 256 ILE CD1 . 15001 1 965 . 1 1 102 102 ILE N N 15 121.805 0.100 . 1 . . . . 256 ILE N . 15001 1 966 . 1 1 103 103 MET H H 1 7.758 0.020 . 1 . . . . 257 MET H . 15001 1 967 . 1 1 103 103 MET HA H 1 4.195 0.020 . 1 . . . . 257 MET HA . 15001 1 968 . 1 1 103 103 MET HB2 H 1 1.963 0.020 . 2 . . . . 257 MET HB2 . 15001 1 969 . 1 1 103 103 MET HB3 H 1 2.266 0.020 . 2 . . . . 257 MET HB3 . 15001 1 970 . 1 1 103 103 MET HG2 H 1 2.494 0.020 . 2 . . . . 257 MET HG2 . 15001 1 971 . 1 1 103 103 MET HG3 H 1 2.732 0.020 . 2 . . . . 257 MET HG3 . 15001 1 972 . 1 1 103 103 MET HE1 H 1 2.268 0.020 . 1 . . . . 257 MET HE . 15001 1 973 . 1 1 103 103 MET HE2 H 1 2.268 0.020 . 1 . . . . 257 MET HE . 15001 1 974 . 1 1 103 103 MET HE3 H 1 2.268 0.020 . 1 . . . . 257 MET HE . 15001 1 975 . 1 1 103 103 MET CA C 13 56.315 0.100 . 1 . . . . 257 MET CA . 15001 1 976 . 1 1 103 103 MET CB C 13 32.149 0.100 . 1 . . . . 257 MET CB . 15001 1 977 . 1 1 103 103 MET CE C 13 16.846 0.100 . 1 . . . . 257 MET CE . 15001 1 978 . 1 1 103 103 MET N N 15 115.629 0.100 . 1 . . . . 257 MET N . 15001 1 979 . 1 1 104 104 ASP H H 1 7.350 0.020 . 1 . . . . 258 ASP H . 15001 1 980 . 1 1 104 104 ASP HA H 1 4.541 0.020 . 1 . . . . 258 ASP HA . 15001 1 981 . 1 1 104 104 ASP HB2 H 1 2.840 0.020 . 2 . . . . 258 ASP HB2 . 15001 1 982 . 1 1 104 104 ASP HB3 H 1 2.968 0.020 . 2 . . . . 258 ASP HB3 . 15001 1 983 . 1 1 104 104 ASP CA C 13 55.053 0.100 . 1 . . . . 258 ASP CA . 15001 1 984 . 1 1 104 104 ASP CB C 13 41.426 0.100 . 1 . . . . 258 ASP CB . 15001 1 985 . 1 1 104 104 ASP N N 15 120.337 0.100 . 1 . . . . 258 ASP N . 15001 1 986 . 1 1 105 105 GLU H H 1 8.688 0.020 . 1 . . . . 259 GLU H . 15001 1 987 . 1 1 105 105 GLU HA H 1 4.340 0.020 . 1 . . . . 259 GLU HA . 15001 1 988 . 1 1 105 105 GLU HB2 H 1 2.104 0.020 . 2 . . . . 259 GLU HB2 . 15001 1 989 . 1 1 105 105 GLU HB3 H 1 2.229 0.020 . 2 . . . . 259 GLU HB3 . 15001 1 990 . 1 1 105 105 GLU HG2 H 1 2.420 0.020 . 2 . . . . 259 GLU HG2 . 15001 1 991 . 1 1 105 105 GLU HG3 H 1 2.420 0.020 . 2 . . . . 259 GLU HG3 . 15001 1 992 . 1 1 105 105 GLU CA C 13 57.199 0.100 . 1 . . . . 259 GLU CA . 15001 1 993 . 1 1 105 105 GLU CB C 13 29.300 0.100 . 1 . . . . 259 GLU CB . 15001 1 994 . 1 1 105 105 GLU N N 15 125.380 0.100 . 1 . . . . 259 GLU N . 15001 1 995 . 1 1 106 106 ASN H H 1 8.701 0.020 . 1 . . . . 260 ASN H . 15001 1 996 . 1 1 106 106 ASN HA H 1 4.760 0.020 . 1 . . . . 260 ASN HA . 15001 1 997 . 1 1 106 106 ASN HB2 H 1 2.851 0.020 . 2 . . . . 260 ASN HB2 . 15001 1 998 . 1 1 106 106 ASN HB3 H 1 2.930 0.020 . 2 . . . . 260 ASN HB3 . 15001 1 999 . 1 1 106 106 ASN CA C 13 53.637 0.100 . 1 . . . . 260 ASN CA . 15001 1 1000 . 1 1 106 106 ASN CB C 13 38.805 0.100 . 1 . . . . 260 ASN CB . 15001 1 1001 . 1 1 106 106 ASN N N 15 117.480 0.100 . 1 . . . . 260 ASN N . 15001 1 1002 . 1 1 107 107 ASN H H 1 7.843 0.020 . 1 . . . . 261 ASN H . 15001 1 1003 . 1 1 107 107 ASN HA H 1 5.021 0.020 . 1 . . . . 261 ASN HA . 15001 1 1004 . 1 1 107 107 ASN HB2 H 1 2.822 0.020 . 2 . . . . 261 ASN HB2 . 15001 1 1005 . 1 1 107 107 ASN HB3 H 1 2.979 0.020 . 2 . . . . 261 ASN HB3 . 15001 1 1006 . 1 1 107 107 ASN CA C 13 52.123 0.100 . 1 . . . . 261 ASN CA . 15001 1 1007 . 1 1 107 107 ASN CB C 13 40.698 0.100 . 1 . . . . 261 ASN CB . 15001 1 1008 . 1 1 107 107 ASN N N 15 117.668 0.100 . 1 . . . . 261 ASN N . 15001 1 1009 . 1 1 108 108 GLN H H 1 8.459 0.020 . 1 . . . . 262 GLN H . 15001 1 1010 . 1 1 108 108 GLN HA H 1 4.603 0.020 . 1 . . . . 262 GLN HA . 15001 1 1011 . 1 1 108 108 GLN HB2 H 1 1.959 0.020 . 2 . . . . 262 GLN HB2 . 15001 1 1012 . 1 1 108 108 GLN HB3 H 1 2.120 0.020 . 2 . . . . 262 GLN HB3 . 15001 1 1013 . 1 1 108 108 GLN HG2 H 1 2.272 0.020 . 2 . . . . 262 GLN HG2 . 15001 1 1014 . 1 1 108 108 GLN HG3 H 1 2.417 0.020 . 2 . . . . 262 GLN HG3 . 15001 1 1015 . 1 1 108 108 GLN CA C 13 55.335 0.100 . 1 . . . . 262 GLN CA . 15001 1 1016 . 1 1 108 108 GLN CB C 13 30.764 0.100 . 1 . . . . 262 GLN CB . 15001 1 1017 . 1 1 108 108 GLN N N 15 121.404 0.100 . 1 . . . . 262 GLN N . 15001 1 1018 . 1 1 109 109 TRP H H 1 10.537 0.020 . 1 . . . . 263 TRP H . 15001 1 1019 . 1 1 109 109 TRP HA H 1 4.934 0.020 . 1 . . . . 263 TRP HA . 15001 1 1020 . 1 1 109 109 TRP HB2 H 1 3.053 0.020 . 1 . . . . 263 TRP HB2 . 15001 1 1021 . 1 1 109 109 TRP HB3 H 1 3.408 0.020 . 1 . . . . 263 TRP HB3 . 15001 1 1022 . 1 1 109 109 TRP HD1 H 1 7.374 0.020 . 1 . . . . 263 TRP HD1 . 15001 1 1023 . 1 1 109 109 TRP HE1 H 1 10.338 0.020 . 1 . . . . 263 TRP HE1 . 15001 1 1024 . 1 1 109 109 TRP HE3 H 1 7.448 0.020 . 1 . . . . 263 TRP HE3 . 15001 1 1025 . 1 1 109 109 TRP HZ2 H 1 6.355 0.020 . 1 . . . . 263 TRP HZ2 . 15001 1 1026 . 1 1 109 109 TRP HZ3 H 1 6.972 0.020 . 1 . . . . 263 TRP HZ3 . 15001 1 1027 . 1 1 109 109 TRP HH2 H 1 6.658 0.020 . 1 . . . . 263 TRP HH2 . 15001 1 1028 . 1 1 109 109 TRP CA C 13 57.976 0.100 . 1 . . . . 263 TRP CA . 15001 1 1029 . 1 1 109 109 TRP CB C 13 30.317 0.100 . 1 . . . . 263 TRP CB . 15001 1 1030 . 1 1 109 109 TRP CD1 C 13 126.450 0.100 . 1 . . . . 263 TRP CD1 . 15001 1 1031 . 1 1 109 109 TRP CZ2 C 13 113.704 0.100 . 1 . . . . 263 TRP CZ2 . 15001 1 1032 . 1 1 109 109 TRP N N 15 128.208 0.100 . 1 . . . . 263 TRP N . 15001 1 1033 . 1 1 109 109 TRP NE1 N 15 133.168 0.100 . 1 . . . . 263 TRP NE1 . 15001 1 1034 . 1 1 110 110 TYR H H 1 7.488 0.020 . 1 . . . . 264 TYR H . 15001 1 1035 . 1 1 110 110 TYR HA H 1 4.388 0.020 . 1 . . . . 264 TYR HA . 15001 1 1036 . 1 1 110 110 TYR HB2 H 1 2.360 0.020 . 1 . . . . 264 TYR HB2 . 15001 1 1037 . 1 1 110 110 TYR HB3 H 1 1.957 0.020 . 1 . . . . 264 TYR HB3 . 15001 1 1038 . 1 1 110 110 TYR HD1 H 1 6.635 0.020 . 1 . . . . 264 TYR HD1 . 15001 1 1039 . 1 1 110 110 TYR HD2 H 1 6.635 0.020 . 1 . . . . 264 TYR HD2 . 15001 1 1040 . 1 1 110 110 TYR HE1 H 1 6.147 0.020 . 1 . . . . 264 TYR HE1 . 15001 1 1041 . 1 1 110 110 TYR HE2 H 1 6.147 0.020 . 1 . . . . 264 TYR HE2 . 15001 1 1042 . 1 1 110 110 TYR CA C 13 56.922 0.100 . 1 . . . . 264 TYR CA . 15001 1 1043 . 1 1 110 110 TYR CB C 13 38.880 0.100 . 1 . . . . 264 TYR CB . 15001 1 1044 . 1 1 110 110 TYR CD1 C 13 132.427 0.100 . 1 . . . . 264 TYR CD1 . 15001 1 1045 . 1 1 110 110 TYR CD2 C 13 132.427 0.100 . 1 . . . . 264 TYR CD2 . 15001 1 1046 . 1 1 110 110 TYR CE1 C 13 117.120 0.100 . 1 . . . . 264 TYR CE1 . 15001 1 1047 . 1 1 110 110 TYR CE2 C 13 117.120 0.100 . 1 . . . . 264 TYR CE2 . 15001 1 1048 . 1 1 110 110 TYR N N 15 126.617 0.100 . 1 . . . . 264 TYR N . 15001 1 1049 . 1 1 111 111 CYS H H 1 8.605 0.020 . 1 . . . . 265 CYS H . 15001 1 1050 . 1 1 111 111 CYS HB3 H 1 3.290 0.020 . 2 . . . . 265 CYS HB3 . 15001 1 1051 . 1 1 111 111 CYS CA C 13 56.456 0.100 . 1 . . . . 265 CYS CA . 15001 1 1052 . 1 1 111 111 CYS N N 15 124.788 0.100 . 1 . . . . 265 CYS N . 15001 1 1053 . 1 1 112 112 TYR HA H 1 4.289 0.020 . 1 . . . . 266 TYR HA . 15001 1 1054 . 1 1 112 112 TYR HB2 H 1 1.882 0.020 . 2 . . . . 266 TYR HB2 . 15001 1 1055 . 1 1 112 112 TYR HB3 H 1 3.094 0.020 . 2 . . . . 266 TYR HB3 . 15001 1 1056 . 1 1 112 112 TYR HD1 H 1 6.791 0.020 . 1 . . . . 266 TYR HD1 . 15001 1 1057 . 1 1 112 112 TYR HD2 H 1 6.791 0.020 . 1 . . . . 266 TYR HD2 . 15001 1 1058 . 1 1 112 112 TYR HE1 H 1 6.814 0.020 . 1 . . . . 266 TYR HE1 . 15001 1 1059 . 1 1 112 112 TYR HE2 H 1 6.814 0.020 . 1 . . . . 266 TYR HE2 . 15001 1 1060 . 1 1 112 112 TYR CA C 13 57.676 0.100 . 1 . . . . 266 TYR CA . 15001 1 1061 . 1 1 112 112 TYR CB C 13 37.758 0.100 . 1 . . . . 266 TYR CB . 15001 1 1062 . 1 1 113 113 ILE H H 1 9.243 0.020 . 1 . . . . 267 ILE H . 15001 1 1063 . 1 1 113 113 ILE HA H 1 3.969 0.020 . 1 . . . . 267 ILE HA . 15001 1 1064 . 1 1 113 113 ILE HB H 1 2.243 0.020 . 1 . . . . 267 ILE HB . 15001 1 1065 . 1 1 113 113 ILE HG12 H 1 1.375 0.020 . 2 . . . . 267 ILE HG12 . 15001 1 1066 . 1 1 113 113 ILE HG13 H 1 1.652 0.020 . 2 . . . . 267 ILE HG13 . 15001 1 1067 . 1 1 113 113 ILE HG21 H 1 0.928 0.020 . 1 . . . . 267 ILE HG2 . 15001 1 1068 . 1 1 113 113 ILE HG22 H 1 0.928 0.020 . 1 . . . . 267 ILE HG2 . 15001 1 1069 . 1 1 113 113 ILE HG23 H 1 0.928 0.020 . 1 . . . . 267 ILE HG2 . 15001 1 1070 . 1 1 113 113 ILE HD11 H 1 0.771 0.020 . 1 . . . . 267 ILE HD1 . 15001 1 1071 . 1 1 113 113 ILE HD12 H 1 0.771 0.020 . 1 . . . . 267 ILE HD1 . 15001 1 1072 . 1 1 113 113 ILE HD13 H 1 0.771 0.020 . 1 . . . . 267 ILE HD1 . 15001 1 1073 . 1 1 113 113 ILE CA C 13 61.405 0.100 . 1 . . . . 267 ILE CA . 15001 1 1074 . 1 1 113 113 ILE CB C 13 35.356 0.100 . 1 . . . . 267 ILE CB . 15001 1 1075 . 1 1 113 113 ILE CG1 C 13 26.564 0.100 . 1 . . . . 267 ILE CG1 . 15001 1 1076 . 1 1 113 113 ILE CG2 C 13 16.955 0.100 . 1 . . . . 267 ILE CG2 . 15001 1 1077 . 1 1 113 113 ILE CD1 C 13 9.894 0.100 . 1 . . . . 267 ILE CD1 . 15001 1 1078 . 1 1 113 113 ILE N N 15 119.848 0.100 . 1 . . . . 267 ILE N . 15001 1 1079 . 1 1 114 114 CYS H H 1 7.840 0.020 . 1 . . . . 268 CYS H . 15001 1 1080 . 1 1 114 114 CYS HA H 1 3.844 0.020 . 1 . . . . 268 CYS HA . 15001 1 1081 . 1 1 114 114 CYS HB2 H 1 3.061 0.020 . 1 . . . . 268 CYS HB2 . 15001 1 1082 . 1 1 114 114 CYS HB3 H 1 2.780 0.020 . 1 . . . . 268 CYS HB3 . 15001 1 1083 . 1 1 114 114 CYS CA C 13 65.151 0.100 . 1 . . . . 268 CYS CA . 15001 1 1084 . 1 1 114 114 CYS CB C 13 29.437 0.100 . 1 . . . . 268 CYS CB . 15001 1 1085 . 1 1 114 114 CYS N N 15 124.180 0.100 . 1 . . . . 268 CYS N . 15001 1 1086 . 1 1 115 115 HIS H H 1 8.938 0.020 . 1 . . . . 269 HIS H . 15001 1 1087 . 1 1 115 115 HIS HA H 1 5.180 0.020 . 1 . . . . 269 HIS HA . 15001 1 1088 . 1 1 115 115 HIS HB2 H 1 2.643 0.020 . 2 . . . . 269 HIS HB2 . 15001 1 1089 . 1 1 115 115 HIS HB3 H 1 3.138 0.020 . 2 . . . . 269 HIS HB3 . 15001 1 1090 . 1 1 115 115 HIS HD2 H 1 7.005 0.020 . 1 . . . . 269 HIS HD2 . 15001 1 1091 . 1 1 115 115 HIS HE1 H 1 7.816 0.020 . 1 . . . . 269 HIS HE1 . 15001 1 1092 . 1 1 115 115 HIS CA C 13 51.725 0.100 . 1 . . . . 269 HIS CA . 15001 1 1093 . 1 1 115 115 HIS CB C 13 30.426 0.100 . 1 . . . . 269 HIS CB . 15001 1 1094 . 1 1 115 115 HIS CD2 C 13 117.870 0.100 . 1 . . . . 269 HIS CD2 . 15001 1 1095 . 1 1 115 115 HIS CE1 C 13 136.271 0.100 . 1 . . . . 269 HIS CE1 . 15001 1 1096 . 1 1 115 115 HIS N N 15 116.790 0.100 . 1 . . . . 269 HIS N . 15001 1 1097 . 1 1 116 116 PRO HA H 1 4.989 0.020 . 1 . . . . 270 PRO HA . 15001 1 1098 . 1 1 116 116 PRO HB2 H 1 2.014 0.020 . 2 . . . . 270 PRO HB2 . 15001 1 1099 . 1 1 116 116 PRO HB3 H 1 2.510 0.020 . 2 . . . . 270 PRO HB3 . 15001 1 1100 . 1 1 116 116 PRO HG2 H 1 1.840 0.020 . 2 . . . . 270 PRO HG2 . 15001 1 1101 . 1 1 116 116 PRO HG3 H 1 1.840 0.020 . 2 . . . . 270 PRO HG3 . 15001 1 1102 . 1 1 116 116 PRO HD2 H 1 3.367 0.020 . 2 . . . . 270 PRO HD2 . 15001 1 1103 . 1 1 116 116 PRO HD3 H 1 3.714 0.020 . 2 . . . . 270 PRO HD3 . 15001 1 1104 . 1 1 116 116 PRO CA C 13 63.360 0.100 . 1 . . . . 270 PRO CA . 15001 1 1105 . 1 1 116 116 PRO CB C 13 32.388 0.100 . 1 . . . . 270 PRO CB . 15001 1 1106 . 1 1 116 116 PRO CD C 13 50.350 0.100 . 1 . . . . 270 PRO CD . 15001 1 1107 . 1 1 117 117 GLU H H 1 8.761 0.020 . 1 . . . . 271 GLU H . 15001 1 1108 . 1 1 117 117 GLU HA H 1 4.048 0.020 . 1 . . . . 271 GLU HA . 15001 1 1109 . 1 1 117 117 GLU HB2 H 1 1.937 0.020 . 2 . . . . 271 GLU HB2 . 15001 1 1110 . 1 1 117 117 GLU HB3 H 1 2.076 0.020 . 2 . . . . 271 GLU HB3 . 15001 1 1111 . 1 1 117 117 GLU HG2 H 1 2.368 0.020 . 2 . . . . 271 GLU HG2 . 15001 1 1112 . 1 1 117 117 GLU HG3 H 1 2.470 0.020 . 2 . . . . 271 GLU HG3 . 15001 1 1113 . 1 1 117 117 GLU CA C 13 61.818 0.100 . 1 . . . . 271 GLU CA . 15001 1 1114 . 1 1 117 117 GLU CB C 13 26.694 0.100 . 1 . . . . 271 GLU CB . 15001 1 1115 . 1 1 117 117 GLU N N 15 124.117 0.100 . 1 . . . . 271 GLU N . 15001 1 1116 . 1 1 118 118 PRO HA H 1 4.571 0.020 . 1 . . . . 272 PRO HA . 15001 1 1117 . 1 1 118 118 PRO HB2 H 1 1.722 0.020 . 2 . . . . 272 PRO HB2 . 15001 1 1118 . 1 1 118 118 PRO HB3 H 1 2.773 0.020 . 2 . . . . 272 PRO HB3 . 15001 1 1119 . 1 1 118 118 PRO HG2 H 1 2.301 0.020 . 2 . . . . 272 PRO HG2 . 15001 1 1120 . 1 1 118 118 PRO HG3 H 1 2.481 0.020 . 2 . . . . 272 PRO HG3 . 15001 1 1121 . 1 1 118 118 PRO HD2 H 1 3.581 0.020 . 2 . . . . 272 PRO HD2 . 15001 1 1122 . 1 1 118 118 PRO HD3 H 1 3.818 0.020 . 2 . . . . 272 PRO HD3 . 15001 1 1123 . 1 1 118 118 PRO CA C 13 65.380 0.100 . 1 . . . . 272 PRO CA . 15001 1 1124 . 1 1 118 118 PRO CB C 13 31.712 0.100 . 1 . . . . 272 PRO CB . 15001 1 1125 . 1 1 118 118 PRO CD C 13 51.198 0.100 . 1 . . . . 272 PRO CD . 15001 1 1126 . 1 1 119 119 LEU H H 1 8.084 0.020 . 1 . . . . 273 LEU H . 15001 1 1127 . 1 1 119 119 LEU HA H 1 4.486 0.020 . 1 . . . . 273 LEU HA . 15001 1 1128 . 1 1 119 119 LEU HB2 H 1 1.677 0.020 . 1 . . . . 273 LEU HB2 . 15001 1 1129 . 1 1 119 119 LEU HB3 H 1 1.899 0.020 . 1 . . . . 273 LEU HB3 . 15001 1 1130 . 1 1 119 119 LEU HG H 1 1.408 0.020 . 1 . . . . 273 LEU HG . 15001 1 1131 . 1 1 119 119 LEU HD11 H 1 0.364 0.020 . 2 . . . . 273 LEU HD1 . 15001 1 1132 . 1 1 119 119 LEU HD12 H 1 0.364 0.020 . 2 . . . . 273 LEU HD1 . 15001 1 1133 . 1 1 119 119 LEU HD13 H 1 0.364 0.020 . 2 . . . . 273 LEU HD1 . 15001 1 1134 . 1 1 119 119 LEU HD21 H 1 0.451 0.020 . 2 . . . . 273 LEU HD2 . 15001 1 1135 . 1 1 119 119 LEU HD22 H 1 0.451 0.020 . 2 . . . . 273 LEU HD2 . 15001 1 1136 . 1 1 119 119 LEU HD23 H 1 0.451 0.020 . 2 . . . . 273 LEU HD2 . 15001 1 1137 . 1 1 119 119 LEU CA C 13 53.898 0.100 . 1 . . . . 273 LEU CA . 15001 1 1138 . 1 1 119 119 LEU CB C 13 41.036 0.100 . 1 . . . . 273 LEU CB . 15001 1 1139 . 1 1 119 119 LEU CD1 C 13 23.311 0.100 . 2 . . . . 273 LEU CD1 . 15001 1 1140 . 1 1 119 119 LEU CD2 C 13 26.375 0.100 . 2 . . . . 273 LEU CD2 . 15001 1 1141 . 1 1 119 119 LEU N N 15 112.305 0.100 . 1 . . . . 273 LEU N . 15001 1 1142 . 1 1 120 120 LEU H H 1 7.824 0.020 . 1 . . . . 274 LEU H . 15001 1 1143 . 1 1 120 120 LEU HA H 1 4.058 0.020 . 1 . . . . 274 LEU HA . 15001 1 1144 . 1 1 120 120 LEU HB2 H 1 1.772 0.020 . 2 . . . . 274 LEU HB2 . 15001 1 1145 . 1 1 120 120 LEU HB3 H 1 1.860 0.020 . 2 . . . . 274 LEU HB3 . 15001 1 1146 . 1 1 120 120 LEU HD11 H 1 1.008 0.020 . 2 . . . . 274 LEU HD1 . 15001 1 1147 . 1 1 120 120 LEU HD12 H 1 1.008 0.020 . 2 . . . . 274 LEU HD1 . 15001 1 1148 . 1 1 120 120 LEU HD13 H 1 1.008 0.020 . 2 . . . . 274 LEU HD1 . 15001 1 1149 . 1 1 120 120 LEU HD21 H 1 0.985 0.020 . 2 . . . . 274 LEU HD2 . 15001 1 1150 . 1 1 120 120 LEU HD22 H 1 0.985 0.020 . 2 . . . . 274 LEU HD2 . 15001 1 1151 . 1 1 120 120 LEU HD23 H 1 0.985 0.020 . 2 . . . . 274 LEU HD2 . 15001 1 1152 . 1 1 120 120 LEU CA C 13 59.049 0.100 . 1 . . . . 274 LEU CA . 15001 1 1153 . 1 1 120 120 LEU CB C 13 42.061 0.100 . 1 . . . . 274 LEU CB . 15001 1 1154 . 1 1 120 120 LEU CD1 C 13 23.542 0.100 . 2 . . . . 274 LEU CD1 . 15001 1 1155 . 1 1 120 120 LEU CD2 C 13 24.045 0.100 . 2 . . . . 274 LEU CD2 . 15001 1 1156 . 1 1 120 120 LEU N N 15 121.496 0.100 . 1 . . . . 274 LEU N . 15001 1 1157 . 1 1 121 121 ASP H H 1 8.678 0.020 . 1 . . . . 275 ASP H . 15001 1 1158 . 1 1 121 121 ASP HA H 1 4.567 0.020 . 1 . . . . 275 ASP HA . 15001 1 1159 . 1 1 121 121 ASP HB2 H 1 2.747 0.020 . 2 . . . . 275 ASP HB2 . 15001 1 1160 . 1 1 121 121 ASP HB3 H 1 2.886 0.020 . 2 . . . . 275 ASP HB3 . 15001 1 1161 . 1 1 121 121 ASP CA C 13 57.498 0.100 . 1 . . . . 275 ASP CA . 15001 1 1162 . 1 1 121 121 ASP CB C 13 39.211 0.100 . 1 . . . . 275 ASP CB . 15001 1 1163 . 1 1 121 121 ASP N N 15 118.814 0.100 . 1 . . . . 275 ASP N . 15001 1 1164 . 1 1 122 122 LEU H H 1 8.017 0.020 . 1 . . . . 276 LEU H . 15001 1 1165 . 1 1 122 122 LEU HA H 1 4.413 0.020 . 1 . . . . 276 LEU HA . 15001 1 1166 . 1 1 122 122 LEU HB2 H 1 1.826 0.020 . 2 . . . . 276 LEU HB2 . 15001 1 1167 . 1 1 122 122 LEU HB3 H 1 2.208 0.020 . 2 . . . . 276 LEU HB3 . 15001 1 1168 . 1 1 122 122 LEU HG H 1 2.037 0.020 . 1 . . . . 276 LEU HG . 15001 1 1169 . 1 1 122 122 LEU HD11 H 1 1.207 0.020 . 2 . . . . 276 LEU HD1 . 15001 1 1170 . 1 1 122 122 LEU HD12 H 1 1.207 0.020 . 2 . . . . 276 LEU HD1 . 15001 1 1171 . 1 1 122 122 LEU HD13 H 1 1.207 0.020 . 2 . . . . 276 LEU HD1 . 15001 1 1172 . 1 1 122 122 LEU HD21 H 1 1.283 0.020 . 2 . . . . 276 LEU HD2 . 15001 1 1173 . 1 1 122 122 LEU HD22 H 1 1.283 0.020 . 2 . . . . 276 LEU HD2 . 15001 1 1174 . 1 1 122 122 LEU HD23 H 1 1.283 0.020 . 2 . . . . 276 LEU HD2 . 15001 1 1175 . 1 1 122 122 LEU CA C 13 57.663 0.100 . 1 . . . . 276 LEU CA . 15001 1 1176 . 1 1 122 122 LEU CB C 13 42.287 0.100 . 1 . . . . 276 LEU CB . 15001 1 1177 . 1 1 122 122 LEU CD1 C 13 23.283 0.100 . 2 . . . . 276 LEU CD1 . 15001 1 1178 . 1 1 122 122 LEU CD2 C 13 26.905 0.100 . 2 . . . . 276 LEU CD2 . 15001 1 1179 . 1 1 122 122 LEU N N 15 123.512 0.100 . 1 . . . . 276 LEU N . 15001 1 1180 . 1 1 123 123 VAL H H 1 8.790 0.020 . 1 . . . . 277 VAL H . 15001 1 1181 . 1 1 123 123 VAL HA H 1 3.880 0.020 . 1 . . . . 277 VAL HA . 15001 1 1182 . 1 1 123 123 VAL HB H 1 2.267 0.020 . 1 . . . . 277 VAL HB . 15001 1 1183 . 1 1 123 123 VAL HG11 H 1 1.038 0.020 . 2 . . . . 277 VAL HG1 . 15001 1 1184 . 1 1 123 123 VAL HG12 H 1 1.038 0.020 . 2 . . . . 277 VAL HG1 . 15001 1 1185 . 1 1 123 123 VAL HG13 H 1 1.038 0.020 . 2 . . . . 277 VAL HG1 . 15001 1 1186 . 1 1 123 123 VAL HG21 H 1 1.023 0.020 . 2 . . . . 277 VAL HG2 . 15001 1 1187 . 1 1 123 123 VAL HG22 H 1 1.023 0.020 . 2 . . . . 277 VAL HG2 . 15001 1 1188 . 1 1 123 123 VAL HG23 H 1 1.023 0.020 . 2 . . . . 277 VAL HG2 . 15001 1 1189 . 1 1 123 123 VAL CA C 13 66.401 0.100 . 1 . . . . 277 VAL CA . 15001 1 1190 . 1 1 123 123 VAL CB C 13 32.329 0.100 . 1 . . . . 277 VAL CB . 15001 1 1191 . 1 1 123 123 VAL CG1 C 13 20.530 0.100 . 2 . . . . 277 VAL CG1 . 15001 1 1192 . 1 1 123 123 VAL CG2 C 13 22.319 0.100 . 2 . . . . 277 VAL CG2 . 15001 1 1193 . 1 1 123 123 VAL N N 15 127.108 0.100 . 1 . . . . 277 VAL N . 15001 1 1194 . 1 1 124 124 THR H H 1 8.730 0.020 . 1 . . . . 278 THR H . 15001 1 1195 . 1 1 124 124 THR HA H 1 4.067 0.020 . 1 . . . . 278 THR HA . 15001 1 1196 . 1 1 124 124 THR HB H 1 4.459 0.020 . 1 . . . . 278 THR HB . 15001 1 1197 . 1 1 124 124 THR HG21 H 1 1.378 0.020 . 1 . . . . 278 THR HG2 . 15001 1 1198 . 1 1 124 124 THR HG22 H 1 1.378 0.020 . 1 . . . . 278 THR HG2 . 15001 1 1199 . 1 1 124 124 THR HG23 H 1 1.378 0.020 . 1 . . . . 278 THR HG2 . 15001 1 1200 . 1 1 124 124 THR CA C 13 66.340 0.100 . 1 . . . . 278 THR CA . 15001 1 1201 . 1 1 124 124 THR CB C 13 68.568 0.100 . 1 . . . . 278 THR CB . 15001 1 1202 . 1 1 124 124 THR CG2 C 13 21.112 0.100 . 1 . . . . 278 THR CG2 . 15001 1 1203 . 1 1 124 124 THR N N 15 117.686 0.100 . 1 . . . . 278 THR N . 15001 1 1204 . 1 1 125 125 ALA H H 1 8.256 0.020 . 1 . . . . 279 ALA H . 15001 1 1205 . 1 1 125 125 ALA HA H 1 4.290 0.020 . 1 . . . . 279 ALA HA . 15001 1 1206 . 1 1 125 125 ALA HB1 H 1 1.697 0.020 . 1 . . . . 279 ALA HB . 15001 1 1207 . 1 1 125 125 ALA HB2 H 1 1.697 0.020 . 1 . . . . 279 ALA HB . 15001 1 1208 . 1 1 125 125 ALA HB3 H 1 1.697 0.020 . 1 . . . . 279 ALA HB . 15001 1 1209 . 1 1 125 125 ALA CA C 13 55.208 0.100 . 1 . . . . 279 ALA CA . 15001 1 1210 . 1 1 125 125 ALA CB C 13 17.755 0.100 . 1 . . . . 279 ALA CB . 15001 1 1211 . 1 1 125 125 ALA N N 15 124.950 0.100 . 1 . . . . 279 ALA N . 15001 1 1212 . 1 1 126 126 CYS H H 1 8.147 0.020 . 1 . . . . 280 CYS H . 15001 1 1213 . 1 1 126 126 CYS HA H 1 4.140 0.020 . 1 . . . . 280 CYS HA . 15001 1 1214 . 1 1 126 126 CYS HB2 H 1 3.446 0.020 . 1 . . . . 280 CYS HB2 . 15001 1 1215 . 1 1 126 126 CYS HB3 H 1 3.714 0.020 . 1 . . . . 280 CYS HB3 . 15001 1 1216 . 1 1 126 126 CYS CA C 13 61.964 0.100 . 1 . . . . 280 CYS CA . 15001 1 1217 . 1 1 126 126 CYS CB C 13 26.291 0.100 . 1 . . . . 280 CYS CB . 15001 1 1218 . 1 1 126 126 CYS N N 15 119.384 0.100 . 1 . . . . 280 CYS N . 15001 1 1219 . 1 1 127 127 ASN H H 1 8.708 0.020 . 1 . . . . 281 ASN H . 15001 1 1220 . 1 1 127 127 ASN HA H 1 4.572 0.020 . 1 . . . . 281 ASN HA . 15001 1 1221 . 1 1 127 127 ASN HB2 H 1 3.282 0.020 . 1 . . . . 281 ASN HB2 . 15001 1 1222 . 1 1 127 127 ASN HB3 H 1 3.036 0.020 . 1 . . . . 281 ASN HB3 . 15001 1 1223 . 1 1 127 127 ASN HD21 H 1 7.009 0.020 . 1 . . . . 281 ASN HD21 . 15001 1 1224 . 1 1 127 127 ASN HD22 H 1 7.944 0.020 . 1 . . . . 281 ASN HD22 . 15001 1 1225 . 1 1 127 127 ASN CA C 13 55.979 0.100 . 1 . . . . 281 ASN CA . 15001 1 1226 . 1 1 127 127 ASN CB C 13 36.754 0.100 . 1 . . . . 281 ASN CB . 15001 1 1227 . 1 1 127 127 ASN N N 15 118.184 0.100 . 1 . . . . 281 ASN N . 15001 1 1228 . 1 1 127 127 ASN ND2 N 15 112.140 0.100 . 1 . . . . 281 ASN ND2 . 15001 1 1229 . 1 1 128 128 SER H H 1 8.541 0.020 . 1 . . . . 282 SER H . 15001 1 1230 . 1 1 128 128 SER HA H 1 4.397 0.020 . 1 . . . . 282 SER HA . 15001 1 1231 . 1 1 128 128 SER HB2 H 1 4.136 0.020 . 2 . . . . 282 SER HB2 . 15001 1 1232 . 1 1 128 128 SER HB3 H 1 4.174 0.020 . 2 . . . . 282 SER HB3 . 15001 1 1233 . 1 1 128 128 SER CA C 13 61.915 0.100 . 1 . . . . 282 SER CA . 15001 1 1234 . 1 1 128 128 SER CB C 13 62.414 0.100 . 1 . . . . 282 SER CB . 15001 1 1235 . 1 1 128 128 SER N N 15 116.797 0.100 . 1 . . . . 282 SER N . 15001 1 1236 . 1 1 129 129 VAL H H 1 7.994 0.020 . 1 . . . . 283 VAL H . 15001 1 1237 . 1 1 129 129 VAL HA H 1 3.703 0.020 . 1 . . . . 283 VAL HA . 15001 1 1238 . 1 1 129 129 VAL HB H 1 2.298 0.020 . 1 . . . . 283 VAL HB . 15001 1 1239 . 1 1 129 129 VAL HG11 H 1 1.050 0.020 . 2 . . . . 283 VAL HG1 . 15001 1 1240 . 1 1 129 129 VAL HG12 H 1 1.050 0.020 . 2 . . . . 283 VAL HG1 . 15001 1 1241 . 1 1 129 129 VAL HG13 H 1 1.050 0.020 . 2 . . . . 283 VAL HG1 . 15001 1 1242 . 1 1 129 129 VAL HG21 H 1 0.670 0.020 . 2 . . . . 283 VAL HG2 . 15001 1 1243 . 1 1 129 129 VAL HG22 H 1 0.670 0.020 . 2 . . . . 283 VAL HG2 . 15001 1 1244 . 1 1 129 129 VAL HG23 H 1 0.670 0.020 . 2 . . . . 283 VAL HG2 . 15001 1 1245 . 1 1 129 129 VAL CA C 13 66.769 0.100 . 1 . . . . 283 VAL CA . 15001 1 1246 . 1 1 129 129 VAL CB C 13 30.877 0.100 . 1 . . . . 283 VAL CB . 15001 1 1247 . 1 1 129 129 VAL CG1 C 13 22.734 0.100 . 2 . . . . 283 VAL CG1 . 15001 1 1248 . 1 1 129 129 VAL CG2 C 13 21.808 0.100 . 2 . . . . 283 VAL CG2 . 15001 1 1249 . 1 1 129 129 VAL N N 15 123.458 0.100 . 1 . . . . 283 VAL N . 15001 1 1250 . 1 1 130 130 PHE H H 1 8.205 0.020 . 1 . . . . 284 PHE H . 15001 1 1251 . 1 1 130 130 PHE HA H 1 4.023 0.020 . 1 . . . . 284 PHE HA . 15001 1 1252 . 1 1 130 130 PHE HB2 H 1 3.113 0.020 . 2 . . . . 284 PHE HB2 . 15001 1 1253 . 1 1 130 130 PHE HB3 H 1 3.202 0.020 . 2 . . . . 284 PHE HB3 . 15001 1 1254 . 1 1 130 130 PHE HD1 H 1 7.515 0.020 . 1 . . . . 284 PHE HD1 . 15001 1 1255 . 1 1 130 130 PHE HD2 H 1 7.515 0.020 . 1 . . . . 284 PHE HD2 . 15001 1 1256 . 1 1 130 130 PHE HE1 H 1 7.036 0.020 . 1 . . . . 284 PHE HE1 . 15001 1 1257 . 1 1 130 130 PHE HE2 H 1 7.036 0.020 . 1 . . . . 284 PHE HE2 . 15001 1 1258 . 1 1 130 130 PHE HZ H 1 6.690 0.020 . 1 . . . . 284 PHE HZ . 15001 1 1259 . 1 1 130 130 PHE CA C 13 63.226 0.100 . 1 . . . . 284 PHE CA . 15001 1 1260 . 1 1 130 130 PHE CB C 13 38.784 0.100 . 1 . . . . 284 PHE CB . 15001 1 1261 . 1 1 130 130 PHE CD1 C 13 131.072 0.100 . 1 . . . . 284 PHE CD1 . 15001 1 1262 . 1 1 130 130 PHE CD2 C 13 131.072 0.100 . 1 . . . . 284 PHE CD2 . 15001 1 1263 . 1 1 130 130 PHE CE1 C 13 131.223 0.100 . 1 . . . . 284 PHE CE1 . 15001 1 1264 . 1 1 130 130 PHE CE2 C 13 131.223 0.100 . 1 . . . . 284 PHE CE2 . 15001 1 1265 . 1 1 130 130 PHE CZ C 13 128.563 0.100 . 1 . . . . 284 PHE CZ . 15001 1 1266 . 1 1 130 130 PHE N N 15 118.795 0.100 . 1 . . . . 284 PHE N . 15001 1 1267 . 1 1 131 131 GLU H H 1 8.682 0.020 . 1 . . . . 285 GLU H . 15001 1 1268 . 1 1 131 131 GLU HA H 1 4.223 0.020 . 1 . . . . 285 GLU HA . 15001 1 1269 . 1 1 131 131 GLU HB2 H 1 2.194 0.020 . 2 . . . . 285 GLU HB2 . 15001 1 1270 . 1 1 131 131 GLU HB3 H 1 2.258 0.020 . 2 . . . . 285 GLU HB3 . 15001 1 1271 . 1 1 131 131 GLU HG2 H 1 2.376 0.020 . 2 . . . . 285 GLU HG2 . 15001 1 1272 . 1 1 131 131 GLU HG3 H 1 2.376 0.020 . 2 . . . . 285 GLU HG3 . 15001 1 1273 . 1 1 131 131 GLU CA C 13 58.978 0.100 . 1 . . . . 285 GLU CA . 15001 1 1274 . 1 1 131 131 GLU CB C 13 29.543 0.100 . 1 . . . . 285 GLU CB . 15001 1 1275 . 1 1 131 131 GLU N N 15 121.068 0.100 . 1 . . . . 285 GLU N . 15001 1 1276 . 1 1 132 132 ASN H H 1 8.073 0.020 . 1 . . . . 286 ASN H . 15001 1 1277 . 1 1 132 132 ASN HA H 1 4.616 0.020 . 1 . . . . 286 ASN HA . 15001 1 1278 . 1 1 132 132 ASN HB2 H 1 2.916 0.020 . 2 . . . . 286 ASN HB2 . 15001 1 1279 . 1 1 132 132 ASN HB3 H 1 2.916 0.020 . 2 . . . . 286 ASN HB3 . 15001 1 1280 . 1 1 132 132 ASN CA C 13 55.409 0.100 . 1 . . . . 286 ASN CA . 15001 1 1281 . 1 1 132 132 ASN CB C 13 38.901 0.100 . 1 . . . . 286 ASN CB . 15001 1 1282 . 1 1 132 132 ASN N N 15 118.163 0.100 . 1 . . . . 286 ASN N . 15001 1 1283 . 1 1 133 133 LEU H H 1 7.899 0.020 . 1 . . . . 287 LEU H . 15001 1 1284 . 1 1 133 133 LEU HA H 1 4.125 0.020 . 1 . . . . 287 LEU HA . 15001 1 1285 . 1 1 133 133 LEU HB2 H 1 1.684 0.020 . 2 . . . . 287 LEU HB2 . 15001 1 1286 . 1 1 133 133 LEU HB3 H 1 1.822 0.020 . 2 . . . . 287 LEU HB3 . 15001 1 1287 . 1 1 133 133 LEU HG H 1 1.673 0.020 . 1 . . . . 287 LEU HG . 15001 1 1288 . 1 1 133 133 LEU HD11 H 1 0.719 0.020 . 2 . . . . 287 LEU HD1 . 15001 1 1289 . 1 1 133 133 LEU HD12 H 1 0.719 0.020 . 2 . . . . 287 LEU HD1 . 15001 1 1290 . 1 1 133 133 LEU HD13 H 1 0.719 0.020 . 2 . . . . 287 LEU HD1 . 15001 1 1291 . 1 1 133 133 LEU HD21 H 1 0.754 0.020 . 2 . . . . 287 LEU HD2 . 15001 1 1292 . 1 1 133 133 LEU HD22 H 1 0.754 0.020 . 2 . . . . 287 LEU HD2 . 15001 1 1293 . 1 1 133 133 LEU HD23 H 1 0.754 0.020 . 2 . . . . 287 LEU HD2 . 15001 1 1294 . 1 1 133 133 LEU CA C 13 58.082 0.100 . 1 . . . . 287 LEU CA . 15001 1 1295 . 1 1 133 133 LEU CB C 13 41.592 0.100 . 1 . . . . 287 LEU CB . 15001 1 1296 . 1 1 133 133 LEU CD1 C 13 23.694 0.100 . 2 . . . . 287 LEU CD1 . 15001 1 1297 . 1 1 133 133 LEU CD2 C 13 24.704 0.100 . 2 . . . . 287 LEU CD2 . 15001 1 1298 . 1 1 133 133 LEU N N 15 121.179 0.100 . 1 . . . . 287 LEU N . 15001 1 1299 . 1 1 134 134 GLU H H 1 8.167 0.020 . 1 . . . . 288 GLU H . 15001 1 1300 . 1 1 134 134 GLU HA H 1 4.094 0.020 . 1 . . . . 288 GLU HA . 15001 1 1301 . 1 1 134 134 GLU HB2 H 1 2.414 0.020 . 2 . . . . 288 GLU HB2 . 15001 1 1302 . 1 1 134 134 GLU HB3 H 1 2.510 0.020 . 2 . . . . 288 GLU HB3 . 15001 1 1303 . 1 1 134 134 GLU HG2 H 1 2.402 0.020 . 2 . . . . 288 GLU HG2 . 15001 1 1304 . 1 1 134 134 GLU HG3 H 1 2.402 0.020 . 2 . . . . 288 GLU HG3 . 15001 1 1305 . 1 1 134 134 GLU CA C 13 58.788 0.100 . 1 . . . . 288 GLU CA . 15001 1 1306 . 1 1 134 134 GLU CB C 13 28.989 0.100 . 1 . . . . 288 GLU CB . 15001 1 1307 . 1 1 134 134 GLU N N 15 118.359 0.100 . 1 . . . . 288 GLU N . 15001 1 1308 . 1 1 135 135 GLN H H 1 7.864 0.020 . 1 . . . . 289 GLN H . 15001 1 1309 . 1 1 135 135 GLN HA H 1 4.192 0.020 . 1 . . . . 289 GLN HA . 15001 1 1310 . 1 1 135 135 GLN HB2 H 1 2.204 0.020 . 2 . . . . 289 GLN HB2 . 15001 1 1311 . 1 1 135 135 GLN HB3 H 1 2.204 0.020 . 2 . . . . 289 GLN HB3 . 15001 1 1312 . 1 1 135 135 GLN HG2 H 1 2.517 0.020 . 2 . . . . 289 GLN HG2 . 15001 1 1313 . 1 1 135 135 GLN HG3 H 1 2.599 0.020 . 2 . . . . 289 GLN HG3 . 15001 1 1314 . 1 1 135 135 GLN CA C 13 57.790 0.100 . 1 . . . . 289 GLN CA . 15001 1 1315 . 1 1 135 135 GLN CB C 13 28.098 0.100 . 1 . . . . 289 GLN CB . 15001 1 1316 . 1 1 135 135 GLN N N 15 117.610 0.100 . 1 . . . . 289 GLN N . 15001 1 1317 . 1 1 136 136 LEU H H 1 7.963 0.020 . 1 . . . . 290 LEU H . 15001 1 1318 . 1 1 136 136 LEU HA H 1 4.189 0.020 . 1 . . . . 290 LEU HA . 15001 1 1319 . 1 1 136 136 LEU HB2 H 1 1.678 0.020 . 2 . . . . 290 LEU HB2 . 15001 1 1320 . 1 1 136 136 LEU HB3 H 1 1.884 0.020 . 2 . . . . 290 LEU HB3 . 15001 1 1321 . 1 1 136 136 LEU HD11 H 1 0.899 0.020 . 2 . . . . 290 LEU HD1 . 15001 1 1322 . 1 1 136 136 LEU HD12 H 1 0.899 0.020 . 2 . . . . 290 LEU HD1 . 15001 1 1323 . 1 1 136 136 LEU HD13 H 1 0.899 0.020 . 2 . . . . 290 LEU HD1 . 15001 1 1324 . 1 1 136 136 LEU HD21 H 1 0.903 0.020 . 2 . . . . 290 LEU HD2 . 15001 1 1325 . 1 1 136 136 LEU HD22 H 1 0.903 0.020 . 2 . . . . 290 LEU HD2 . 15001 1 1326 . 1 1 136 136 LEU HD23 H 1 0.903 0.020 . 2 . . . . 290 LEU HD2 . 15001 1 1327 . 1 1 136 136 LEU CA C 13 56.955 0.100 . 1 . . . . 290 LEU CA . 15001 1 1328 . 1 1 136 136 LEU CB C 13 41.992 0.100 . 1 . . . . 290 LEU CB . 15001 1 1329 . 1 1 136 136 LEU CD1 C 13 23.470 0.100 . 2 . . . . 290 LEU CD1 . 15001 1 1330 . 1 1 136 136 LEU CD2 C 13 24.924 0.100 . 2 . . . . 290 LEU CD2 . 15001 1 1331 . 1 1 136 136 LEU N N 15 121.267 0.100 . 1 . . . . 290 LEU N . 15001 1 1332 . 1 1 137 137 LEU H H 1 8.175 0.020 . 1 . . . . 291 LEU H . 15001 1 1333 . 1 1 137 137 LEU HA H 1 4.260 0.020 . 1 . . . . 291 LEU HA . 15001 1 1334 . 1 1 137 137 LEU HB2 H 1 1.659 0.020 . 2 . . . . 291 LEU HB2 . 15001 1 1335 . 1 1 137 137 LEU HB3 H 1 1.906 0.020 . 2 . . . . 291 LEU HB3 . 15001 1 1336 . 1 1 137 137 LEU HD11 H 1 0.935 0.020 . 2 . . . . 291 LEU HD1 . 15001 1 1337 . 1 1 137 137 LEU HD12 H 1 0.935 0.020 . 2 . . . . 291 LEU HD1 . 15001 1 1338 . 1 1 137 137 LEU HD13 H 1 0.935 0.020 . 2 . . . . 291 LEU HD1 . 15001 1 1339 . 1 1 137 137 LEU HD21 H 1 0.950 0.020 . 2 . . . . 291 LEU HD2 . 15001 1 1340 . 1 1 137 137 LEU HD22 H 1 0.950 0.020 . 2 . . . . 291 LEU HD2 . 15001 1 1341 . 1 1 137 137 LEU HD23 H 1 0.950 0.020 . 2 . . . . 291 LEU HD2 . 15001 1 1342 . 1 1 137 137 LEU CA C 13 55.893 0.100 . 1 . . . . 291 LEU CA . 15001 1 1343 . 1 1 137 137 LEU CB C 13 41.191 0.100 . 1 . . . . 291 LEU CB . 15001 1 1344 . 1 1 137 137 LEU CG C 13 26.111 0.100 . 1 . . . . 291 LEU CG . 15001 1 1345 . 1 1 137 137 LEU CD1 C 13 22.743 0.100 . 2 . . . . 291 LEU CD1 . 15001 1 1346 . 1 1 137 137 LEU CD2 C 13 25.156 0.100 . 2 . . . . 291 LEU CD2 . 15001 1 1347 . 1 1 137 137 LEU N N 15 119.215 0.100 . 1 . . . . 291 LEU N . 15001 1 1348 . 1 1 138 138 GLN H H 1 7.903 0.020 . 1 . . . . 292 GLN H . 15001 1 1349 . 1 1 138 138 GLN HA H 1 4.262 0.020 . 1 . . . . 292 GLN HA . 15001 1 1350 . 1 1 138 138 GLN HB2 H 1 2.176 0.020 . 2 . . . . 292 GLN HB2 . 15001 1 1351 . 1 1 138 138 GLN HB3 H 1 2.251 0.020 . 2 . . . . 292 GLN HB3 . 15001 1 1352 . 1 1 138 138 GLN HG2 H 1 2.551 0.020 . 2 . . . . 292 GLN HG2 . 15001 1 1353 . 1 1 138 138 GLN HG3 H 1 2.551 0.020 . 2 . . . . 292 GLN HG3 . 15001 1 1354 . 1 1 138 138 GLN CA C 13 56.128 0.100 . 1 . . . . 292 GLN CA . 15001 1 1355 . 1 1 138 138 GLN CB C 13 28.109 0.100 . 1 . . . . 292 GLN CB . 15001 1 1356 . 1 1 138 138 GLN N N 15 118.115 0.100 . 1 . . . . 292 GLN N . 15001 1 1357 . 1 1 139 139 GLN H H 1 8.061 0.020 . 1 . . . . 293 GLN H . 15001 1 1358 . 1 1 139 139 GLN HA H 1 4.305 0.020 . 1 . . . . 293 GLN HA . 15001 1 1359 . 1 1 139 139 GLN HB2 H 1 2.170 0.020 . 2 . . . . 293 GLN HB2 . 15001 1 1360 . 1 1 139 139 GLN HB3 H 1 2.248 0.020 . 2 . . . . 293 GLN HB3 . 15001 1 1361 . 1 1 139 139 GLN HG2 H 1 2.534 0.020 . 2 . . . . 293 GLN HG2 . 15001 1 1362 . 1 1 139 139 GLN HG3 H 1 2.534 0.020 . 2 . . . . 293 GLN HG3 . 15001 1 1363 . 1 1 139 139 GLN CA C 13 56.285 0.100 . 1 . . . . 293 GLN CA . 15001 1 1364 . 1 1 139 139 GLN CB C 13 28.636 0.100 . 1 . . . . 293 GLN CB . 15001 1 1365 . 1 1 139 139 GLN N N 15 119.168 0.100 . 1 . . . . 293 GLN N . 15001 1 1366 . 1 1 140 140 ASN H H 1 8.225 0.020 . 1 . . . . 294 ASN H . 15001 1 1367 . 1 1 140 140 ASN HA H 1 4.794 0.020 . 1 . . . . 294 ASN HA . 15001 1 1368 . 1 1 140 140 ASN HB2 H 1 2.851 0.020 . 2 . . . . 294 ASN HB2 . 15001 1 1369 . 1 1 140 140 ASN HB3 H 1 2.946 0.020 . 2 . . . . 294 ASN HB3 . 15001 1 1370 . 1 1 140 140 ASN CA C 13 53.013 0.100 . 1 . . . . 294 ASN CA . 15001 1 1371 . 1 1 140 140 ASN CB C 13 38.581 0.100 . 1 . . . . 294 ASN CB . 15001 1 1372 . 1 1 140 140 ASN N N 15 118.478 0.100 . 1 . . . . 294 ASN N . 15001 1 1373 . 1 1 141 141 LYS H H 1 8.049 0.020 . 1 . . . . 295 LYS H . 15001 1 1374 . 1 1 141 141 LYS HA H 1 4.291 0.020 . 1 . . . . 295 LYS HA . 15001 1 1375 . 1 1 141 141 LYS HB2 H 1 1.843 0.020 . 2 . . . . 295 LYS HB2 . 15001 1 1376 . 1 1 141 141 LYS HB3 H 1 1.952 0.020 . 2 . . . . 295 LYS HB3 . 15001 1 1377 . 1 1 141 141 LYS HG2 H 1 1.536 0.020 . 2 . . . . 295 LYS HG2 . 15001 1 1378 . 1 1 141 141 LYS HG3 H 1 1.536 0.020 . 2 . . . . 295 LYS HG3 . 15001 1 1379 . 1 1 141 141 LYS CA C 13 55.732 0.100 . 1 . . . . 295 LYS CA . 15001 1 1380 . 1 1 141 141 LYS CB C 13 32.508 0.100 . 1 . . . . 295 LYS CB . 15001 1 1381 . 1 1 141 141 LYS N N 15 121.884 0.100 . 1 . . . . 295 LYS N . 15001 1 1382 . 1 1 142 142 LYS H H 1 8.004 0.020 . 1 . . . . 296 LYS H . 15001 1 1383 . 1 1 142 142 LYS HA H 1 4.217 0.020 . 1 . . . . 296 LYS HA . 15001 1 1384 . 1 1 142 142 LYS HB2 H 1 1.783 0.020 . 2 . . . . 296 LYS HB2 . 15001 1 1385 . 1 1 142 142 LYS HB3 H 1 1.896 0.020 . 2 . . . . 296 LYS HB3 . 15001 1 1386 . 1 1 142 142 LYS HG2 H 1 1.489 0.020 . 2 . . . . 296 LYS HG2 . 15001 1 1387 . 1 1 142 142 LYS HG3 H 1 1.489 0.020 . 2 . . . . 296 LYS HG3 . 15001 1 1388 . 1 1 142 142 LYS CA C 13 57.392 0.100 . 1 . . . . 296 LYS CA . 15001 1 1389 . 1 1 142 142 LYS CB C 13 33.270 0.100 . 1 . . . . 296 LYS CB . 15001 1 1390 . 1 1 142 142 LYS N N 15 128.257 0.100 . 1 . . . . 296 LYS N . 15001 1 stop_ save_