data_19726 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19726 _Entry.Title ; Protein-RNA structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-01-09 _Entry.Accession_date 2014-01-09 _Entry.Last_release_date 2014-05-27 _Entry.Original_release_date 2014-05-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Gerrit Daubner . M. . 19726 2 Frederic Allain . H.T. . 19726 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' . 19726 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID GLD-1 . 19726 'KH-QUA2 domain' . 19726 'RNA regulation' . 19726 'STAR protein family' . 19726 tra-2 . 19726 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19726 RDCs 1 19726 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 386 19726 '15N chemical shifts' 144 19726 '1H chemical shifts' 1010 19726 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-05-27 2014-01-09 original author . 19726 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MJH 'BMRB Entry Tracking System' 19726 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19726 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structural and functional implications of the QUA2 domain on RNA recognition by GLD-1' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gerrit Daubner . M. . 19726 1 2 Anneke Bruemmer . . . 19726 1 3 Cristina Tocchini . . . 19726 1 4 Stefan Gerhardy . . . 19726 1 5 Rafal Ciosk . . . 19726 1 6 Mihaela Zavolan . . . 19726 1 7 Frederic Allain . H.T. . 19726 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19726 _Assembly.ID 1 _Assembly.Name 'GLD-1 KH-QUA2 bound to 5'-CUACUCAUAU-3'' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'GLD-1 KH-QUA2 bound to 5'-CUACUCAUAU-3'' 1 $GLD-1_(aa_195-336) A . yes native no no . . . 19726 1 2 RNA 2 $5'-CUACUCAUAU-3' B . yes native no no . . . 19726 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GLD-1_(aa_195-336) _Entity.Sf_category entity _Entity.Sf_framecode GLD-1_(aa_195-336) _Entity.Entry_ID 19726 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GermLine_development_Defective_1 _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 ; LPEPAGDMISITEKIYVPKN EYPDYNFVGRILGPRGMTAK QLEQDTGCKIMVRGKGSMRD KSKESAHRGKANWEHLEDDL HVLVQCEDTENRVHIKLQAA LEQVKKLLIPAPEGTDELKR KQLMELAIINGTYRPMKSPN PA ; _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 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'KH-QUA2 domain of GLD-1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16075.667 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MJH . "Solution Structure Of The Gld-1 Rna-binding Domain In Complex With Rna" . . . . . 100.00 142 100.00 100.00 1.30e-99 . . . . 19726 1 2 no PDB 4JVY . "Structure Of The Star (signal Transduction And Activation Of Rna) Domain Of Gld-1 Bound To Rna" . . . . . 100.00 196 100.00 100.00 1.31e-99 . . . . 19726 1 3 no EMBL CAB03417 . "Female germline-specific tumor suppressor gld-1 [Caenorhabditis elegans]" . . . . . 100.00 463 100.00 100.00 1.43e-93 . . . . 19726 1 4 no GB AAC46632 . "female germline-specific tumor suppressor; similar to human GAP-associated tyrosine phosphoprotein p62, PIR Accession Number A3" . . . . . 100.00 463 100.00 100.00 1.43e-93 . . . . 19726 1 5 no GB EFP08647 . "CRE-GLD-1 protein [Caenorhabditis remanei]" . . . . . 100.00 476 97.18 100.00 6.82e-92 . . . . 19726 1 6 no PRF 2116296A . "tumor suppressor" . . . . . 100.00 463 100.00 100.00 1.43e-93 . . . . 19726 1 7 no REF NP_492143 . "Female germline-specific tumor suppressor gld-1 [Caenorhabditis elegans]" . . . . . 100.00 463 100.00 100.00 1.43e-93 . . . . 19726 1 8 no REF XP_003100676 . "CRE-GLD-1 protein [Caenorhabditis remanei]" . . . . . 100.00 476 97.18 100.00 6.82e-92 . . . . 19726 1 9 no SP Q17339 . "RecName: Full=Female germline-specific tumor suppressor gld-1; AltName: Full=Defective in germ line development protein 1" . . . . . 100.00 463 100.00 100.00 1.43e-93 . . . . 19726 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 1 195 LEU . 19726 1 2 196 PRO . 19726 1 3 197 GLU . 19726 1 4 198 PRO . 19726 1 5 199 ALA . 19726 1 6 200 GLY . 19726 1 7 201 ASP . 19726 1 8 202 MET . 19726 1 9 203 ILE . 19726 1 10 204 SER . 19726 1 11 205 ILE . 19726 1 12 206 THR . 19726 1 13 207 GLU . 19726 1 14 208 LYS . 19726 1 15 209 ILE . 19726 1 16 210 TYR . 19726 1 17 211 VAL . 19726 1 18 212 PRO . 19726 1 19 213 LYS . 19726 1 20 214 ASN . 19726 1 21 215 GLU . 19726 1 22 216 TYR . 19726 1 23 217 PRO . 19726 1 24 218 ASP . 19726 1 25 219 TYR . 19726 1 26 220 ASN . 19726 1 27 221 PHE . 19726 1 28 222 VAL . 19726 1 29 223 GLY . 19726 1 30 224 ARG . 19726 1 31 225 ILE . 19726 1 32 226 LEU . 19726 1 33 227 GLY . 19726 1 34 228 PRO . 19726 1 35 229 ARG . 19726 1 36 230 GLY . 19726 1 37 231 MET . 19726 1 38 232 THR . 19726 1 39 233 ALA . 19726 1 40 234 LYS . 19726 1 41 235 GLN . 19726 1 42 236 LEU . 19726 1 43 237 GLU . 19726 1 44 238 GLN . 19726 1 45 239 ASP . 19726 1 46 240 THR . 19726 1 47 241 GLY . 19726 1 48 242 CYS . 19726 1 49 243 LYS . 19726 1 50 244 ILE . 19726 1 51 245 MET . 19726 1 52 246 VAL . 19726 1 53 247 ARG . 19726 1 54 248 GLY . 19726 1 55 249 LYS . 19726 1 56 250 GLY . 19726 1 57 251 SER . 19726 1 58 252 MET . 19726 1 59 253 ARG . 19726 1 60 254 ASP . 19726 1 61 255 LYS . 19726 1 62 256 SER . 19726 1 63 257 LYS . 19726 1 64 258 GLU . 19726 1 65 259 SER . 19726 1 66 260 ALA . 19726 1 67 261 HIS . 19726 1 68 262 ARG . 19726 1 69 263 GLY . 19726 1 70 264 LYS . 19726 1 71 265 ALA . 19726 1 72 266 ASN . 19726 1 73 267 TRP . 19726 1 74 268 GLU . 19726 1 75 269 HIS . 19726 1 76 270 LEU . 19726 1 77 271 GLU . 19726 1 78 272 ASP . 19726 1 79 273 ASP . 19726 1 80 274 LEU . 19726 1 81 275 HIS . 19726 1 82 276 VAL . 19726 1 83 277 LEU . 19726 1 84 278 VAL . 19726 1 85 279 GLN . 19726 1 86 280 CYS . 19726 1 87 281 GLU . 19726 1 88 282 ASP . 19726 1 89 283 THR . 19726 1 90 284 GLU . 19726 1 91 285 ASN . 19726 1 92 286 ARG . 19726 1 93 287 VAL . 19726 1 94 288 HIS . 19726 1 95 289 ILE . 19726 1 96 290 LYS . 19726 1 97 291 LEU . 19726 1 98 292 GLN . 19726 1 99 293 ALA . 19726 1 100 294 ALA . 19726 1 101 295 LEU . 19726 1 102 296 GLU . 19726 1 103 297 GLN . 19726 1 104 298 VAL . 19726 1 105 299 LYS . 19726 1 106 300 LYS . 19726 1 107 301 LEU . 19726 1 108 302 LEU . 19726 1 109 303 ILE . 19726 1 110 304 PRO . 19726 1 111 305 ALA . 19726 1 112 306 PRO . 19726 1 113 307 GLU . 19726 1 114 308 GLY . 19726 1 115 309 THR . 19726 1 116 310 ASP . 19726 1 117 311 GLU . 19726 1 118 312 LEU . 19726 1 119 313 LYS . 19726 1 120 314 ARG . 19726 1 121 315 LYS . 19726 1 122 316 GLN . 19726 1 123 317 LEU . 19726 1 124 318 MET . 19726 1 125 319 GLU . 19726 1 126 320 LEU . 19726 1 127 321 ALA . 19726 1 128 322 ILE . 19726 1 129 323 ILE . 19726 1 130 324 ASN . 19726 1 131 325 GLY . 19726 1 132 326 THR . 19726 1 133 327 TYR . 19726 1 134 328 ARG . 19726 1 135 329 PRO . 19726 1 136 330 MET . 19726 1 137 331 LYS . 19726 1 138 332 SER . 19726 1 139 333 PRO . 19726 1 140 334 ASN . 19726 1 141 335 PRO . 19726 1 142 336 ALA . 19726 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 . LEU 1 1 19726 1 . PRO 2 2 19726 1 . GLU 3 3 19726 1 . PRO 4 4 19726 1 . ALA 5 5 19726 1 . GLY 6 6 19726 1 . ASP 7 7 19726 1 . MET 8 8 19726 1 . ILE 9 9 19726 1 . SER 10 10 19726 1 . ILE 11 11 19726 1 . THR 12 12 19726 1 . GLU 13 13 19726 1 . LYS 14 14 19726 1 . ILE 15 15 19726 1 . TYR 16 16 19726 1 . VAL 17 17 19726 1 . PRO 18 18 19726 1 . LYS 19 19 19726 1 . ASN 20 20 19726 1 . GLU 21 21 19726 1 . TYR 22 22 19726 1 . PRO 23 23 19726 1 . ASP 24 24 19726 1 . TYR 25 25 19726 1 . ASN 26 26 19726 1 . PHE 27 27 19726 1 . VAL 28 28 19726 1 . GLY 29 29 19726 1 . ARG 30 30 19726 1 . ILE 31 31 19726 1 . LEU 32 32 19726 1 . GLY 33 33 19726 1 . PRO 34 34 19726 1 . ARG 35 35 19726 1 . GLY 36 36 19726 1 . MET 37 37 19726 1 . THR 38 38 19726 1 . ALA 39 39 19726 1 . LYS 40 40 19726 1 . GLN 41 41 19726 1 . LEU 42 42 19726 1 . GLU 43 43 19726 1 . GLN 44 44 19726 1 . ASP 45 45 19726 1 . THR 46 46 19726 1 . GLY 47 47 19726 1 . CYS 48 48 19726 1 . LYS 49 49 19726 1 . ILE 50 50 19726 1 . MET 51 51 19726 1 . VAL 52 52 19726 1 . ARG 53 53 19726 1 . GLY 54 54 19726 1 . LYS 55 55 19726 1 . GLY 56 56 19726 1 . SER 57 57 19726 1 . MET 58 58 19726 1 . ARG 59 59 19726 1 . ASP 60 60 19726 1 . LYS 61 61 19726 1 . SER 62 62 19726 1 . LYS 63 63 19726 1 . GLU 64 64 19726 1 . SER 65 65 19726 1 . ALA 66 66 19726 1 . HIS 67 67 19726 1 . ARG 68 68 19726 1 . GLY 69 69 19726 1 . LYS 70 70 19726 1 . ALA 71 71 19726 1 . ASN 72 72 19726 1 . TRP 73 73 19726 1 . GLU 74 74 19726 1 . HIS 75 75 19726 1 . LEU 76 76 19726 1 . GLU 77 77 19726 1 . ASP 78 78 19726 1 . ASP 79 79 19726 1 . LEU 80 80 19726 1 . HIS 81 81 19726 1 . VAL 82 82 19726 1 . LEU 83 83 19726 1 . VAL 84 84 19726 1 . GLN 85 85 19726 1 . CYS 86 86 19726 1 . GLU 87 87 19726 1 . ASP 88 88 19726 1 . THR 89 89 19726 1 . GLU 90 90 19726 1 . ASN 91 91 19726 1 . ARG 92 92 19726 1 . VAL 93 93 19726 1 . HIS 94 94 19726 1 . ILE 95 95 19726 1 . LYS 96 96 19726 1 . LEU 97 97 19726 1 . GLN 98 98 19726 1 . ALA 99 99 19726 1 . ALA 100 100 19726 1 . LEU 101 101 19726 1 . GLU 102 102 19726 1 . GLN 103 103 19726 1 . VAL 104 104 19726 1 . LYS 105 105 19726 1 . LYS 106 106 19726 1 . LEU 107 107 19726 1 . LEU 108 108 19726 1 . ILE 109 109 19726 1 . PRO 110 110 19726 1 . ALA 111 111 19726 1 . PRO 112 112 19726 1 . GLU 113 113 19726 1 . GLY 114 114 19726 1 . THR 115 115 19726 1 . ASP 116 116 19726 1 . GLU 117 117 19726 1 . LEU 118 118 19726 1 . LYS 119 119 19726 1 . ARG 120 120 19726 1 . LYS 121 121 19726 1 . GLN 122 122 19726 1 . LEU 123 123 19726 1 . MET 124 124 19726 1 . GLU 125 125 19726 1 . LEU 126 126 19726 1 . ALA 127 127 19726 1 . ILE 128 128 19726 1 . ILE 129 129 19726 1 . ASN 130 130 19726 1 . GLY 131 131 19726 1 . THR 132 132 19726 1 . TYR 133 133 19726 1 . ARG 134 134 19726 1 . PRO 135 135 19726 1 . MET 136 136 19726 1 . LYS 137 137 19726 1 . SER 138 138 19726 1 . PRO 139 139 19726 1 . ASN 140 140 19726 1 . PRO 141 141 19726 1 . ALA 142 142 19726 1 stop_ save_ save_5'-CUACUCAUAU-3' _Entity.Sf_category entity _Entity.Sf_framecode 5'-CUACUCAUAU-3' _Entity.Entry_ID 19726 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 5'-CUACUCAUAU-3' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CUACUCAUAU _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 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment 'GLD-1 binding site within the 3'-UTR of tra-2' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3082.892 _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 16 C . 19726 2 2 17 U . 19726 2 3 18 A . 19726 2 4 19 C . 19726 2 5 20 U . 19726 2 6 21 C . 19726 2 7 22 A . 19726 2 8 23 U . 19726 2 9 24 A . 19726 2 10 25 U . 19726 2 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 . C 1 1 19726 2 . U 2 2 19726 2 . A 3 3 19726 2 . C 4 4 19726 2 . U 5 5 19726 2 . C 6 6 19726 2 . A 7 7 19726 2 . U 8 8 19726 2 . A 9 9 19726 2 . U 10 10 19726 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 19726 _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 $GLD-1_(aa_195-336) . . organism . 'Caenorhabditis elegans' . . . . . Caenorhabditis elegans . . . . . . . . . . . . . . . . 'gld-1, T23G11.3' . . . . 19726 1 2 2 $5'-CUACUCAUAU-3' . . organism . 'Caenorhabditis elegans' . . . . . Caenorhabditis elegans . . . . . . . . . . . . . . . . 'tra-2, C15F1.3' . . . . 19726 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 19726 _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 $GLD-1_(aa_195-336) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pTYB1 . . . 'Purification via the IMPACT system (NEB) that results in the protein without any additional residues' . . 19726 1 2 2 $5'-CUACUCAUAU-3' . 'obtained from a vendor' na . . . . . . . . . . . . . . . . . . . . . na . . . . . . 19726 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 19726 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GLD-1 (aa 195-336)' [U-15N] . . 1 $GLD-1_(aa_195-336) . . 0.45 . . mM . . . . 19726 1 2 5'-CUACUCAUAU-3' 'natural abundance' . . 2 $5'-CUACUCAUAU-3' . . 0.45 . . mM . . . . 19726 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19726 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19726 1 5 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 19726 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19726 1 7 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19726 1 stop_ save_ save_15N_13C _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C _Sample.Entry_ID 19726 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GLD-1 (aa 195-336)' '[U-13C; U-15N]' . . 1 $GLD-1_(aa_195-336) . . 0.45 . . mM . . . . 19726 2 2 5'-CUACUCAUAU-3' 'natural abundance' . . 2 $5'-CUACUCAUAU-3' . . 0.45 . . mM . . . . 19726 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19726 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19726 2 5 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 19726 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19726 2 7 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19726 2 stop_ save_ save_15N_(D2O) _Sample.Sf_category sample _Sample.Sf_framecode 15N_(D2O) _Sample.Entry_ID 19726 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GLD-1 (aa 195-336)' [U-15N] . . 1 $GLD-1_(aa_195-336) . . 0.45 . . mM . . . . 19726 3 2 5'-CUACUCAUAU-3' 'natural abundance' . . 2 $5'-CUACUCAUAU-3' . . 0.45 . . mM . . . . 19726 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19726 3 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19726 3 5 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 19726 3 6 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19726 3 stop_ save_ save_15N_13C_(D2O) _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_(D2O) _Sample.Entry_ID 19726 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GLD-1 (aa 195-336)' '[U-13C; U-15N]' . . 1 $GLD-1_(aa_195-336) . . 0.45 . . mM . . . . 19726 4 2 5'-CUACUCAUAU-3' 'natural abundance' . . 2 $5'-CUACUCAUAU-3' . . 0.45 . . mM . . . . 19726 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19726 4 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19726 4 5 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 19726 4 6 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19726 4 stop_ save_ save_15N_13C_(10) _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_(10) _Sample.Entry_ID 19726 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GLD-1 (aa 195-336)' '[U-10% 13C; U-100% 15N]' . . 1 $GLD-1_(aa_195-336) . . 0.45 . . mM . . . . 19726 5 2 5'-CUACUCAUAU-3' 'natural abundance' . . 2 $5'-CUACUCAUAU-3' . . 0.45 . . mM . . . . 19726 5 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19726 5 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19726 5 5 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 19726 5 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19726 5 7 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19726 5 stop_ save_ save_15N_(Phage) _Sample.Sf_category sample _Sample.Sf_framecode 15N_(Phage) _Sample.Entry_ID 19726 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'GLD-1 (aa 195-336)' [U-15N] . . 1 $GLD-1_(aa_195-336) . . 0.45 . . mM . . . . 19726 6 2 5'-CUACUCAUAU-3' 'natural abundance' . . 2 $5'-CUACUCAUAU-3' . . 0.45 . . mM . . . . 19726 6 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19726 6 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19726 6 5 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 19726 6 6 'Pf1 phage' 'natural abundance' . . . . . . 14 . . mg/mL . . . . 19726 6 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19726 6 8 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19726 6 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 19726 _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' 0.17 . M 19726 1 pH 6.5 . pH 19726 1 pressure 1 . atm 19726 1 temperature 303 . K 19726 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19726 _Software.ID 1 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19726 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19726 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19726 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19726 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19726 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19726 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19726 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19726 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19726 _Software.ID 4 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19726 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19726 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19726 _Software.ID 5 _Software.Name TALOS _Software.Version + _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19726 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19726 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 19726 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version 3.5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 19726 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19726 6 stop_ save_ save_ATNOSCANDID _Software.Sf_category software _Software.Sf_framecode ATNOSCANDID _Software.Entry_ID 19726 _Software.ID 7 _Software.Name ATNOSCANDID _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 19726 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19726 7 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 19726 _Software.ID 8 _Software.Name PALES _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zweckstetter, Hummer and Bax' . . 19726 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19726 8 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 19726 _Software.ID 9 _Software.Name WhatIF _Software.Version 10.1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 19726 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19726 9 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 19726 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Cryo-probe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19726 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Cryo-probe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19726 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details Cryo-probe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19726 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 19726 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details Cryo-probe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 19726 _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 . 500 Cryo-probe . . 19726 1 2 spectrometer_2 Bruker Avance . 600 Cryo-probe . . 19726 1 3 spectrometer_3 Bruker Avance . 700 Cryo-probe . . 19726 1 4 spectrometer_4 Bruker Avance . 750 . . . 19726 1 5 spectrometer_5 Bruker Avance . 900 Cryo-probe . . 19726 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 19726 _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 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $15N_13C_(D2O) isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 3 '3D HNCA' no . . . . . . . . . . 2 $15N_13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 4 '3D HN(CO)CA' no . . . . . . . . . . 2 $15N_13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 5 '3D HNCO' no . . . . . . . . . . 2 $15N_13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 6 '3D HN(CA)CO' no . . . . . . . . . . 2 $15N_13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N_13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $15N_13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $15N_13C isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $15N_(D2O) isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 12 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $15N_(D2O) isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 13 '2D F1f F2f 1H-1H NOESY' no . . . . . . . . . . 3 $15N_(D2O) isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 15 '2D F2f 1H-1H NOESY' no . . . . . . . . . . 4 $15N_13C_(D2O) isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 16 '3D F1f F2e 1H-1H NOESY' no . . . . . . . . . . 4 $15N_13C_(D2O) isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 17 'Long-range 1H-15N HSQC' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 18 '3D HNHA' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 19 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 6 $15N_(Phage) anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 1 20 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $15N_13C_(10) isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19726 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 19726 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Referenced via the absolute 1H frequency of DSS' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19726 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19726 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19726 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 19726 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19726 1 2 '2D 1H-13C HSQC' . . . 19726 1 3 '3D HNCA' . . . 19726 1 4 '3D HN(CO)CA' . . . 19726 1 5 '3D HNCO' . . . 19726 1 6 '3D HN(CA)CO' . . . 19726 1 7 '3D CBCA(CO)NH' . . . 19726 1 8 '3D HCCH-TOCSY' . . . 19726 1 9 '3D 1H-15N NOESY' . . . 19726 1 10 '3D 1H-13C NOESY' . . . 19726 1 11 '2D 1H-1H TOCSY' . . . 19726 1 12 '2D 1H-1H NOESY' . . . 19726 1 13 '2D F1f F2f 1H-1H NOESY' . . . 19726 1 14 '2D 1H-13C HSQC' . . . 19726 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 19726 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 . 2 2 1 1 C H1' H 1 5.974 0.003 . 1 . . . . 1 C H1' . 19726 1 2 . 2 2 1 1 C H2' H 1 4.362 0.004 . 1 . . . . 1 C H2' . 19726 1 3 . 2 2 1 1 C H3' H 1 4.499 0.004 . 1 . . . . 1 C H3' . 19726 1 4 . 2 2 1 1 C H4' H 1 4.226 0.003 . 1 . . . . 1 C H4' . 19726 1 5 . 2 2 1 1 C H5 H 1 6.016 0.004 . 1 . . . . 1 C H5 . 19726 1 6 . 2 2 1 1 C H6 H 1 7.847 0.001 . 1 . . . . 1 C H6 . 19726 1 7 . 2 2 2 2 U H1' H 1 5.984 0.004 . 1 . . . . 2 U H1' . 19726 1 8 . 2 2 2 2 U H2' H 1 4.274 0.001 . 1 . . . . 2 U H2' . 19726 1 9 . 2 2 2 2 U H4' H 1 4.146 0.003 . 1 . . . . 2 U H4' . 19726 1 10 . 2 2 2 2 U H5 H 1 5.781 0.003 . 1 . . . . 2 U H5 . 19726 1 11 . 2 2 2 2 U H5' H 1 3.915 0.001 . 2 . . . . 2 U H5' . 19726 1 12 . 2 2 2 2 U H5'' H 1 3.999 0.003 . 2 . . . . 2 U H5'' . 19726 1 13 . 2 2 2 2 U H6 H 1 7.859 0.005 . 1 . . . . 2 U H6 . 19726 1 14 . 2 2 3 3 A H1' H 1 6.165 0.005 . 1 . . . . 3 A H1' . 19726 1 15 . 2 2 3 3 A H2 H 1 8.095 0.003 . 1 . . . . 3 A H2 . 19726 1 16 . 2 2 3 3 A H2' H 1 4.183 0.001 . 1 . . . . 3 A H2' . 19726 1 17 . 2 2 3 3 A H3' H 1 4.062 0.007 . 1 . . . . 3 A H3' . 19726 1 18 . 2 2 3 3 A H4' H 1 4.899 0.002 . 1 . . . . 3 A H4' . 19726 1 19 . 2 2 3 3 A H8 H 1 8.244 0.002 . 1 . . . . 3 A H8 . 19726 1 20 . 2 2 4 4 C H1' H 1 6.209 0.002 . 1 . . . . 4 C H1' . 19726 1 21 . 2 2 4 4 C H2' H 1 4.469 0.001 . 1 . . . . 4 C H2' . 19726 1 22 . 2 2 4 4 C H3' H 1 4.876 0.004 . 1 . . . . 4 C H3' . 19726 1 23 . 2 2 4 4 C H4' H 1 4.307 0.002 . 1 . . . . 4 C H4' . 19726 1 24 . 2 2 4 4 C H5 H 1 6.623 0.001 . 1 . . . . 4 C H5 . 19726 1 25 . 2 2 4 4 C H6 H 1 7.983 0.002 . 1 . . . . 4 C H6 . 19726 1 26 . 2 2 5 5 U H1' H 1 5.674 0.004 . 1 . . . . 5 U H1' . 19726 1 27 . 2 2 5 5 U H2' H 1 3.832 0.010 . 1 . . . . 5 U H2' . 19726 1 28 . 2 2 5 5 U H3' H 1 4.454 0.004 . 1 . . . . 5 U H3' . 19726 1 29 . 2 2 5 5 U H4' H 1 4.406 0.000 . 1 . . . . 5 U H4' . 19726 1 30 . 2 2 5 5 U H5 H 1 5.975 0.002 . 1 . . . . 5 U H5 . 19726 1 31 . 2 2 5 5 U H6 H 1 7.816 0.009 . 1 . . . . 5 U H6 . 19726 1 32 . 2 2 6 6 C H1' H 1 6.088 0.001 . 1 . . . . 6 C H1' . 19726 1 33 . 2 2 6 6 C H2' H 1 4.283 0.006 . 1 . . . . 6 C H2' . 19726 1 34 . 2 2 6 6 C H3' H 1 4.959 0.002 . 1 . . . . 6 C H3' . 19726 1 35 . 2 2 6 6 C H4' H 1 4.402 0.000 . 1 . . . . 6 C H4' . 19726 1 36 . 2 2 6 6 C H5 H 1 6.251 0.004 . 1 . . . . 6 C H5 . 19726 1 37 . 2 2 6 6 C H6 H 1 7.820 0.005 . 1 . . . . 6 C H6 . 19726 1 38 . 2 2 7 7 A H1' H 1 5.727 0.005 . 1 . . . . 7 A H1' . 19726 1 39 . 2 2 7 7 A H2 H 1 8.589 0.003 . 1 . . . . 7 A H2 . 19726 1 40 . 2 2 7 7 A H2' H 1 5.033 0.003 . 1 . . . . 7 A H2' . 19726 1 41 . 2 2 7 7 A H3' H 1 4.628 0.000 . 1 . . . . 7 A H3' . 19726 1 42 . 2 2 7 7 A H4' H 1 4.400 0.000 . 1 . . . . 7 A H4' . 19726 1 43 . 2 2 7 7 A H8 H 1 8.551 0.003 . 1 . . . . 7 A H8 . 19726 1 44 . 2 2 8 8 U H1' H 1 4.841 0.003 . 1 . . . . 8 U H1' . 19726 1 45 . 2 2 8 8 U H2' H 1 4.407 0.003 . 1 . . . . 8 U H2' . 19726 1 46 . 2 2 8 8 U H3' H 1 3.673 0.004 . 1 . . . . 8 U H3' . 19726 1 47 . 2 2 8 8 U H5 H 1 5.744 0.004 . 1 . . . . 8 U H5 . 19726 1 48 . 2 2 8 8 U H6 H 1 7.520 0.002 . 1 . . . . 8 U H6 . 19726 1 49 . 2 2 9 9 A H1' H 1 5.971 0.004 . 1 . . . . 9 A H1' . 19726 1 50 . 2 2 9 9 A H2 H 1 7.974 0.001 . 1 . . . . 9 A H2 . 19726 1 51 . 2 2 9 9 A H2' H 1 4.599 0.003 . 1 . . . . 9 A H2' . 19726 1 52 . 2 2 9 9 A H3' H 1 4.406 0.000 . 1 . . . . 9 A H3' . 19726 1 53 . 2 2 9 9 A H8 H 1 8.283 0.003 . 1 . . . . 9 A H8 . 19726 1 54 . 2 2 10 10 U H1' H 1 5.780 0.002 . 1 . . . . 10 U H1' . 19726 1 55 . 2 2 10 10 U H2' H 1 4.094 0.002 . 1 . . . . 10 U H2' . 19726 1 56 . 2 2 10 10 U H3' H 1 4.215 0.001 . 1 . . . . 10 U H3' . 19726 1 57 . 2 2 10 10 U H4' H 1 4.177 0.005 . 1 . . . . 10 U H4' . 19726 1 58 . 2 2 10 10 U H5 H 1 5.674 0.003 . 1 . . . . 10 U H5 . 19726 1 59 . 2 2 10 10 U H6 H 1 7.717 0.002 . 1 . . . . 10 U H6 . 19726 1 60 . 1 1 2 2 PRO HA H 1 4.520 0.001 . 1 . . . A 2 PRO HA . 19726 1 61 . 1 1 2 2 PRO HB2 H 1 1.857 0.003 . 2 . . . A 2 PRO HB2 . 19726 1 62 . 1 1 2 2 PRO HB3 H 1 2.279 0.002 . 2 . . . A 2 PRO HB3 . 19726 1 63 . 1 1 2 2 PRO HG2 H 1 2.029 0.000 . 1 . . . A 2 PRO HG2 . 19726 1 64 . 1 1 2 2 PRO HG3 H 1 2.029 0.000 . 1 . . . A 2 PRO HG3 . 19726 1 65 . 1 1 2 2 PRO HD2 H 1 3.476 0.000 . 2 . . . A 2 PRO HD2 . 19726 1 66 . 1 1 2 2 PRO HD3 H 1 3.861 0.000 . 2 . . . A 2 PRO HD3 . 19726 1 67 . 1 1 2 2 PRO CA C 13 59.450 0.015 . 1 . . . A 2 PRO CA . 19726 1 68 . 1 1 2 2 PRO CB C 13 29.740 0.014 . 1 . . . A 2 PRO CB . 19726 1 69 . 1 1 2 2 PRO CD C 13 47.803 0.013 . 1 . . . A 2 PRO CD . 19726 1 70 . 1 1 3 3 GLU H H 1 8.420 0.003 . 1 . . . A 3 GLU H . 19726 1 71 . 1 1 3 3 GLU HA H 1 4.403 0.003 . 1 . . . A 3 GLU HA . 19726 1 72 . 1 1 3 3 GLU HB2 H 1 1.866 0.001 . 2 . . . A 3 GLU HB2 . 19726 1 73 . 1 1 3 3 GLU HB3 H 1 2.047 0.000 . 2 . . . A 3 GLU HB3 . 19726 1 74 . 1 1 3 3 GLU HG2 H 1 2.352 0.000 . 2 . . . A 3 GLU HG2 . 19726 1 75 . 1 1 3 3 GLU HG3 H 1 2.393 0.000 . 2 . . . A 3 GLU HG3 . 19726 1 76 . 1 1 3 3 GLU CA C 13 52.272 0.028 . 1 . . . A 3 GLU CA . 19726 1 77 . 1 1 3 3 GLU CB C 13 26.014 0.006 . 1 . . . A 3 GLU CB . 19726 1 78 . 1 1 3 3 GLU CG C 13 33.493 0.030 . 1 . . . A 3 GLU CG . 19726 1 79 . 1 1 3 3 GLU N N 15 120.775 0.012 . 1 . . . A 3 GLU N . 19726 1 80 . 1 1 4 4 PRO HA H 1 4.293 0.000 . 1 . . . A 4 PRO HA . 19726 1 81 . 1 1 4 4 PRO HB2 H 1 2.341 0.004 . 1 . . . A 4 PRO HB2 . 19726 1 82 . 1 1 4 4 PRO HB3 H 1 2.341 0.004 . 1 . . . A 4 PRO HB3 . 19726 1 83 . 1 1 4 4 PRO HD2 H 1 3.746 0.004 . 1 . . . A 4 PRO HD2 . 19726 1 84 . 1 1 4 4 PRO HD3 H 1 3.746 0.004 . 1 . . . A 4 PRO HD3 . 19726 1 85 . 1 1 4 4 PRO CA C 13 61.523 0.004 . 1 . . . A 4 PRO CA . 19726 1 86 . 1 1 4 4 PRO CB C 13 29.844 0.000 . 1 . . . A 4 PRO CB . 19726 1 87 . 1 1 4 4 PRO CD C 13 48.231 0.000 . 1 . . . A 4 PRO CD . 19726 1 88 . 1 1 5 5 ALA H H 1 7.598 0.005 . 1 . . . A 5 ALA H . 19726 1 89 . 1 1 5 5 ALA HA H 1 4.548 0.002 . 1 . . . A 5 ALA HA . 19726 1 90 . 1 1 5 5 ALA HB1 H 1 1.345 0.001 . 1 . . . A 5 ALA MB . 19726 1 91 . 1 1 5 5 ALA HB2 H 1 1.345 0.001 . 1 . . . A 5 ALA MB . 19726 1 92 . 1 1 5 5 ALA HB3 H 1 1.345 0.001 . 1 . . . A 5 ALA MB . 19726 1 93 . 1 1 5 5 ALA CA C 13 49.701 0.000 . 1 . . . A 5 ALA CA . 19726 1 94 . 1 1 5 5 ALA CB C 13 18.693 0.000 . 1 . . . A 5 ALA CB . 19726 1 95 . 1 1 5 5 ALA N N 15 123.905 0.009 . 1 . . . A 5 ALA N . 19726 1 96 . 1 1 6 6 GLY H H 1 8.490 0.002 . 1 . . . A 6 GLY H . 19726 1 97 . 1 1 6 6 GLY HA2 H 1 3.831 0.001 . 2 . . . A 6 GLY HA2 . 19726 1 98 . 1 1 6 6 GLY HA3 H 1 4.287 0.001 . 2 . . . A 6 GLY HA3 . 19726 1 99 . 1 1 6 6 GLY CA C 13 41.807 0.002 . 1 . . . A 6 GLY CA . 19726 1 100 . 1 1 6 6 GLY N N 15 109.462 0.008 . 1 . . . A 6 GLY N . 19726 1 101 . 1 1 7 7 ASP H H 1 8.568 0.001 . 1 . . . A 7 ASP H . 19726 1 102 . 1 1 7 7 ASP HA H 1 4.594 0.001 . 1 . . . A 7 ASP HA . 19726 1 103 . 1 1 7 7 ASP HB2 H 1 2.493 0.002 . 2 . . . A 7 ASP HB2 . 19726 1 104 . 1 1 7 7 ASP HB3 H 1 2.672 0.001 . 2 . . . A 7 ASP HB3 . 19726 1 105 . 1 1 7 7 ASP CA C 13 51.689 0.007 . 1 . . . A 7 ASP CA . 19726 1 106 . 1 1 7 7 ASP CB C 13 39.128 0.002 . 1 . . . A 7 ASP CB . 19726 1 107 . 1 1 7 7 ASP N N 15 119.091 0.004 . 1 . . . A 7 ASP N . 19726 1 108 . 1 1 8 8 MET H H 1 8.448 0.004 . 1 . . . A 8 MET H . 19726 1 109 . 1 1 8 8 MET HA H 1 4.245 0.004 . 1 . . . A 8 MET HA . 19726 1 110 . 1 1 8 8 MET HB2 H 1 1.783 0.005 . 2 . . . A 8 MET HB2 . 19726 1 111 . 1 1 8 8 MET HB3 H 1 1.989 0.002 . 2 . . . A 8 MET HB3 . 19726 1 112 . 1 1 8 8 MET HE1 H 1 2.027 0.000 . 1 . . . A 8 MET ME . 19726 1 113 . 1 1 8 8 MET HE2 H 1 2.027 0.000 . 1 . . . A 8 MET ME . 19726 1 114 . 1 1 8 8 MET HE3 H 1 2.027 0.000 . 1 . . . A 8 MET ME . 19726 1 115 . 1 1 8 8 MET CA C 13 53.090 0.000 . 1 . . . A 8 MET CA . 19726 1 116 . 1 1 8 8 MET CB C 13 30.395 0.011 . 1 . . . A 8 MET CB . 19726 1 117 . 1 1 8 8 MET CE C 13 14.467 0.000 . 1 . . . A 8 MET CE . 19726 1 118 . 1 1 8 8 MET N N 15 119.572 0.006 . 1 . . . A 8 MET N . 19726 1 119 . 1 1 9 9 ILE H H 1 8.761 0.006 . 1 . . . A 9 ILE H . 19726 1 120 . 1 1 9 9 ILE HA H 1 4.514 0.002 . 1 . . . A 9 ILE HA . 19726 1 121 . 1 1 9 9 ILE HB H 1 1.907 0.000 . 1 . . . A 9 ILE HB . 19726 1 122 . 1 1 9 9 ILE HG12 H 1 1.230 0.003 . 2 . . . A 9 ILE HG12 . 19726 1 123 . 1 1 9 9 ILE HG13 H 1 1.441 0.002 . 2 . . . A 9 ILE HG13 . 19726 1 124 . 1 1 9 9 ILE HG21 H 1 0.927 0.001 . 1 . . . A 9 ILE MG . 19726 1 125 . 1 1 9 9 ILE HG22 H 1 0.927 0.001 . 1 . . . A 9 ILE MG . 19726 1 126 . 1 1 9 9 ILE HG23 H 1 0.927 0.001 . 1 . . . A 9 ILE MG . 19726 1 127 . 1 1 9 9 ILE HD11 H 1 0.910 0.002 . 1 . . . A 9 ILE MD . 19726 1 128 . 1 1 9 9 ILE HD12 H 1 0.910 0.002 . 1 . . . A 9 ILE MD . 19726 1 129 . 1 1 9 9 ILE HD13 H 1 0.910 0.002 . 1 . . . A 9 ILE MD . 19726 1 130 . 1 1 9 9 ILE CA C 13 57.199 0.037 . 1 . . . A 9 ILE CA . 19726 1 131 . 1 1 9 9 ILE CB C 13 38.868 0.000 . 1 . . . A 9 ILE CB . 19726 1 132 . 1 1 9 9 ILE CG1 C 13 24.074 0.010 . 1 . . . A 9 ILE CG1 . 19726 1 133 . 1 1 9 9 ILE CG2 C 13 14.981 0.017 . 1 . . . A 9 ILE CG2 . 19726 1 134 . 1 1 9 9 ILE CD1 C 13 10.674 0.000 . 1 . . . A 9 ILE CD1 . 19726 1 135 . 1 1 9 9 ILE N N 15 123.952 0.020 . 1 . . . A 9 ILE N . 19726 1 136 . 1 1 10 10 SER H H 1 8.031 0.003 . 1 . . . A 10 SER H . 19726 1 137 . 1 1 10 10 SER HA H 1 5.443 0.018 . 1 . . . A 10 SER HA . 19726 1 138 . 1 1 10 10 SER HB2 H 1 3.572 0.000 . 2 . . . A 10 SER HB2 . 19726 1 139 . 1 1 10 10 SER HB3 H 1 3.692 0.001 . 2 . . . A 10 SER HB3 . 19726 1 140 . 1 1 10 10 SER CA C 13 53.196 0.000 . 1 . . . A 10 SER CA . 19726 1 141 . 1 1 10 10 SER CB C 13 61.597 0.003 . 1 . . . A 10 SER CB . 19726 1 142 . 1 1 10 10 SER N N 15 116.306 0.005 . 1 . . . A 10 SER N . 19726 1 143 . 1 1 11 11 ILE H H 1 8.885 0.003 . 1 . . . A 11 ILE H . 19726 1 144 . 1 1 11 11 ILE HA H 1 4.587 0.002 . 1 . . . A 11 ILE HA . 19726 1 145 . 1 1 11 11 ILE HB H 1 1.672 0.002 . 1 . . . A 11 ILE HB . 19726 1 146 . 1 1 11 11 ILE HG12 H 1 1.328 0.000 . 1 . . . A 11 ILE HG12 . 19726 1 147 . 1 1 11 11 ILE HG13 H 1 1.328 0.000 . 1 . . . A 11 ILE HG13 . 19726 1 148 . 1 1 11 11 ILE HG21 H 1 0.877 0.000 . 1 . . . A 11 ILE MG . 19726 1 149 . 1 1 11 11 ILE HG22 H 1 0.877 0.000 . 1 . . . A 11 ILE MG . 19726 1 150 . 1 1 11 11 ILE HG23 H 1 0.877 0.000 . 1 . . . A 11 ILE MG . 19726 1 151 . 1 1 11 11 ILE HD11 H 1 0.673 0.002 . 1 . . . A 11 ILE MD . 19726 1 152 . 1 1 11 11 ILE HD12 H 1 0.673 0.002 . 1 . . . A 11 ILE MD . 19726 1 153 . 1 1 11 11 ILE HD13 H 1 0.673 0.002 . 1 . . . A 11 ILE MD . 19726 1 154 . 1 1 11 11 ILE CA C 13 57.379 0.000 . 1 . . . A 11 ILE CA . 19726 1 155 . 1 1 11 11 ILE CG1 C 13 24.045 0.000 . 1 . . . A 11 ILE CG1 . 19726 1 156 . 1 1 11 11 ILE CG2 C 13 15.535 0.002 . 1 . . . A 11 ILE CG2 . 19726 1 157 . 1 1 11 11 ILE CD1 C 13 11.317 0.000 . 1 . . . A 11 ILE CD1 . 19726 1 158 . 1 1 11 11 ILE N N 15 126.202 0.006 . 1 . . . A 11 ILE N . 19726 1 159 . 1 1 12 12 THR H H 1 8.191 0.005 . 1 . . . A 12 THR H . 19726 1 160 . 1 1 12 12 THR HA H 1 5.401 0.003 . 1 . . . A 12 THR HA . 19726 1 161 . 1 1 12 12 THR HB H 1 3.877 0.001 . 1 . . . A 12 THR HB . 19726 1 162 . 1 1 12 12 THR HG21 H 1 1.054 0.003 . 1 . . . A 12 THR MG . 19726 1 163 . 1 1 12 12 THR HG22 H 1 1.054 0.003 . 1 . . . A 12 THR MG . 19726 1 164 . 1 1 12 12 THR HG23 H 1 1.054 0.003 . 1 . . . A 12 THR MG . 19726 1 165 . 1 1 12 12 THR CA C 13 57.951 0.000 . 1 . . . A 12 THR CA . 19726 1 166 . 1 1 12 12 THR CB C 13 69.033 0.000 . 1 . . . A 12 THR CB . 19726 1 167 . 1 1 12 12 THR CG2 C 13 19.598 0.000 . 1 . . . A 12 THR CG2 . 19726 1 168 . 1 1 12 12 THR N N 15 117.531 0.003 . 1 . . . A 12 THR N . 19726 1 169 . 1 1 13 13 GLU H H 1 9.087 0.003 . 1 . . . A 13 GLU H . 19726 1 170 . 1 1 13 13 GLU HA H 1 4.665 0.000 . 1 . . . A 13 GLU HA . 19726 1 171 . 1 1 13 13 GLU HB2 H 1 1.922 0.000 . 2 . . . A 13 GLU HB2 . 19726 1 172 . 1 1 13 13 GLU HB3 H 1 1.803 0.000 . 2 . . . A 13 GLU HB3 . 19726 1 173 . 1 1 13 13 GLU HG2 H 1 2.243 0.001 . 1 . . . A 13 GLU HG2 . 19726 1 174 . 1 1 13 13 GLU HG3 H 1 2.243 0.001 . 1 . . . A 13 GLU HG3 . 19726 1 175 . 1 1 13 13 GLU CA C 13 52.426 0.000 . 1 . . . A 13 GLU CA . 19726 1 176 . 1 1 13 13 GLU CB C 13 31.341 0.027 . 1 . . . A 13 GLU CB . 19726 1 177 . 1 1 13 13 GLU CG C 13 33.304 0.008 . 1 . . . A 13 GLU CG . 19726 1 178 . 1 1 13 13 GLU N N 15 125.429 0.006 . 1 . . . A 13 GLU N . 19726 1 179 . 1 1 14 14 LYS H H 1 8.512 0.005 . 1 . . . A 14 LYS H . 19726 1 180 . 1 1 14 14 LYS HA H 1 5.125 0.004 . 1 . . . A 14 LYS HA . 19726 1 181 . 1 1 14 14 LYS HB2 H 1 1.334 0.002 . 1 . . . A 14 LYS HB2 . 19726 1 182 . 1 1 14 14 LYS HB3 H 1 1.334 0.002 . 1 . . . A 14 LYS HB3 . 19726 1 183 . 1 1 14 14 LYS HG2 H 1 0.580 0.002 . 1 . . . A 14 LYS HG2 . 19726 1 184 . 1 1 14 14 LYS HG3 H 1 0.580 0.002 . 1 . . . A 14 LYS HG3 . 19726 1 185 . 1 1 14 14 LYS HD2 H 1 0.874 0.000 . 1 . . . A 14 LYS HD2 . 19726 1 186 . 1 1 14 14 LYS HD3 H 1 0.874 0.000 . 1 . . . A 14 LYS HD3 . 19726 1 187 . 1 1 14 14 LYS HE2 H 1 2.120 0.000 . 2 . . . A 14 LYS HE2 . 19726 1 188 . 1 1 14 14 LYS HE3 H 1 2.217 0.000 . 2 . . . A 14 LYS HE3 . 19726 1 189 . 1 1 14 14 LYS CA C 13 52.331 0.000 . 1 . . . A 14 LYS CA . 19726 1 190 . 1 1 14 14 LYS CB C 13 32.992 0.000 . 1 . . . A 14 LYS CB . 19726 1 191 . 1 1 14 14 LYS CG C 13 22.166 0.005 . 1 . . . A 14 LYS CG . 19726 1 192 . 1 1 14 14 LYS CD C 13 27.000 0.000 . 1 . . . A 14 LYS CD . 19726 1 193 . 1 1 14 14 LYS CE C 13 38.366 0.003 . 1 . . . A 14 LYS CE . 19726 1 194 . 1 1 14 14 LYS N N 15 123.082 0.005 . 1 . . . A 14 LYS N . 19726 1 195 . 1 1 15 15 ILE H H 1 9.013 0.008 . 1 . . . A 15 ILE H . 19726 1 196 . 1 1 15 15 ILE HA H 1 4.402 0.000 . 1 . . . A 15 ILE HA . 19726 1 197 . 1 1 15 15 ILE HB H 1 1.615 0.001 . 1 . . . A 15 ILE HB . 19726 1 198 . 1 1 15 15 ILE HG12 H 1 1.417 0.001 . 1 . . . A 15 ILE HG12 . 19726 1 199 . 1 1 15 15 ILE HG13 H 1 1.417 0.001 . 1 . . . A 15 ILE HG13 . 19726 1 200 . 1 1 15 15 ILE HG21 H 1 0.816 0.000 . 1 . . . A 15 ILE MG . 19726 1 201 . 1 1 15 15 ILE HG22 H 1 0.816 0.000 . 1 . . . A 15 ILE MG . 19726 1 202 . 1 1 15 15 ILE HG23 H 1 0.816 0.000 . 1 . . . A 15 ILE MG . 19726 1 203 . 1 1 15 15 ILE HD11 H 1 0.800 0.002 . 1 . . . A 15 ILE MD . 19726 1 204 . 1 1 15 15 ILE HD12 H 1 0.800 0.002 . 1 . . . A 15 ILE MD . 19726 1 205 . 1 1 15 15 ILE HD13 H 1 0.800 0.002 . 1 . . . A 15 ILE MD . 19726 1 206 . 1 1 15 15 ILE CA C 13 56.865 0.000 . 1 . . . A 15 ILE CA . 19726 1 207 . 1 1 15 15 ILE CB C 13 38.232 0.000 . 1 . . . A 15 ILE CB . 19726 1 208 . 1 1 15 15 ILE CG1 C 13 24.387 0.000 . 1 . . . A 15 ILE CG1 . 19726 1 209 . 1 1 15 15 ILE CG2 C 13 15.341 0.000 . 1 . . . A 15 ILE CG2 . 19726 1 210 . 1 1 15 15 ILE CD1 C 13 12.058 0.000 . 1 . . . A 15 ILE CD1 . 19726 1 211 . 1 1 15 15 ILE N N 15 125.011 0.000 . 1 . . . A 15 ILE N . 19726 1 212 . 1 1 16 16 TYR H H 1 9.007 0.000 . 1 . . . A 16 TYR H . 19726 1 213 . 1 1 16 16 TYR HA H 1 4.409 0.003 . 1 . . . A 16 TYR HA . 19726 1 214 . 1 1 16 16 TYR HB2 H 1 3.035 0.000 . 2 . . . A 16 TYR HB2 . 19726 1 215 . 1 1 16 16 TYR HB3 H 1 2.776 0.007 . 2 . . . A 16 TYR HB3 . 19726 1 216 . 1 1 16 16 TYR HD1 H 1 7.217 0.005 . 1 . . . A 16 TYR HD1 . 19726 1 217 . 1 1 16 16 TYR HD2 H 1 7.217 0.005 . 1 . . . A 16 TYR HD2 . 19726 1 218 . 1 1 16 16 TYR HE1 H 1 6.788 0.005 . 1 . . . A 16 TYR HE1 . 19726 1 219 . 1 1 16 16 TYR HE2 H 1 6.788 0.005 . 1 . . . A 16 TYR HE2 . 19726 1 220 . 1 1 16 16 TYR CA C 13 58.038 0.000 . 1 . . . A 16 TYR CA . 19726 1 221 . 1 1 16 16 TYR CB C 13 35.578 0.024 . 1 . . . A 16 TYR CB . 19726 1 222 . 1 1 16 16 TYR CD1 C 13 130.554 0.011 . 3 . . . A 16 TYR CD1 . 19726 1 223 . 1 1 16 16 TYR CE1 C 13 115.270 0.000 . 3 . . . A 16 TYR CE1 . 19726 1 224 . 1 1 16 16 TYR N N 15 126.042 0.005 . 1 . . . A 16 TYR N . 19726 1 225 . 1 1 17 17 VAL H H 1 7.831 0.001 . 1 . . . A 17 VAL H . 19726 1 226 . 1 1 17 17 VAL HA H 1 3.972 0.005 . 1 . . . A 17 VAL HA . 19726 1 227 . 1 1 17 17 VAL HB H 1 1.577 0.003 . 1 . . . A 17 VAL HB . 19726 1 228 . 1 1 17 17 VAL HG11 H 1 0.336 0.002 . 1 . . . A 17 VAL MG1 . 19726 1 229 . 1 1 17 17 VAL HG12 H 1 0.336 0.002 . 1 . . . A 17 VAL MG1 . 19726 1 230 . 1 1 17 17 VAL HG13 H 1 0.336 0.002 . 1 . . . A 17 VAL MG1 . 19726 1 231 . 1 1 17 17 VAL HG21 H 1 0.653 0.003 . 1 . . . A 17 VAL MG2 . 19726 1 232 . 1 1 17 17 VAL HG22 H 1 0.653 0.003 . 1 . . . A 17 VAL MG2 . 19726 1 233 . 1 1 17 17 VAL HG23 H 1 0.653 0.003 . 1 . . . A 17 VAL MG2 . 19726 1 234 . 1 1 17 17 VAL CA C 13 56.961 0.000 . 1 . . . A 17 VAL CA . 19726 1 235 . 1 1 17 17 VAL CB C 13 30.205 0.000 . 1 . . . A 17 VAL CB . 19726 1 236 . 1 1 17 17 VAL CG1 C 13 18.282 0.000 . 1 . . . A 17 VAL CG1 . 19726 1 237 . 1 1 17 17 VAL CG2 C 13 18.902 0.000 . 1 . . . A 17 VAL CG2 . 19726 1 238 . 1 1 17 17 VAL N N 15 122.127 0.017 . 1 . . . A 17 VAL N . 19726 1 239 . 1 1 18 18 PRO HA H 1 5.042 0.001 . 1 . . . A 18 PRO HA . 19726 1 240 . 1 1 18 18 PRO HB2 H 1 2.645 0.003 . 1 . . . A 18 PRO HB2 . 19726 1 241 . 1 1 18 18 PRO HB3 H 1 2.645 0.003 . 1 . . . A 18 PRO HB3 . 19726 1 242 . 1 1 18 18 PRO HD2 H 1 2.956 0.006 . 2 . . . A 18 PRO HD2 . 19726 1 243 . 1 1 18 18 PRO HD3 H 1 3.689 0.000 . 2 . . . A 18 PRO HD3 . 19726 1 244 . 1 1 18 18 PRO CA C 13 60.929 0.000 . 1 . . . A 18 PRO CA . 19726 1 245 . 1 1 18 18 PRO CB C 13 25.418 0.000 . 1 . . . A 18 PRO CB . 19726 1 246 . 1 1 18 18 PRO CD C 13 48.677 0.025 . 1 . . . A 18 PRO CD . 19726 1 247 . 1 1 19 19 LYS H H 1 8.568 0.005 . 1 . . . A 19 LYS H . 19726 1 248 . 1 1 19 19 LYS HA H 1 4.243 0.007 . 1 . . . A 19 LYS HA . 19726 1 249 . 1 1 19 19 LYS HB2 H 1 1.863 0.001 . 2 . . . A 19 LYS HB2 . 19726 1 250 . 1 1 19 19 LYS HB3 H 1 1.940 0.004 . 2 . . . A 19 LYS HB3 . 19726 1 251 . 1 1 19 19 LYS HG2 H 1 1.614 0.002 . 1 . . . A 19 LYS HG2 . 19726 1 252 . 1 1 19 19 LYS HG3 H 1 1.614 0.002 . 1 . . . A 19 LYS HG3 . 19726 1 253 . 1 1 19 19 LYS HE2 H 1 3.189 0.001 . 1 . . . A 19 LYS HE2 . 19726 1 254 . 1 1 19 19 LYS HE3 H 1 3.189 0.001 . 1 . . . A 19 LYS HE3 . 19726 1 255 . 1 1 19 19 LYS CA C 13 55.431 0.000 . 1 . . . A 19 LYS CA . 19726 1 256 . 1 1 19 19 LYS CB C 13 30.209 0.065 . 1 . . . A 19 LYS CB . 19726 1 257 . 1 1 19 19 LYS CG C 13 21.665 0.000 . 1 . . . A 19 LYS CG . 19726 1 258 . 1 1 19 19 LYS CE C 13 39.516 0.000 . 1 . . . A 19 LYS CE . 19726 1 259 . 1 1 19 19 LYS N N 15 124.972 0.009 . 1 . . . A 19 LYS N . 19726 1 260 . 1 1 20 20 ASN H H 1 8.696 0.000 . 1 . . . A 20 ASN H . 19726 1 261 . 1 1 20 20 ASN HA H 1 4.461 0.002 . 1 . . . A 20 ASN HA . 19726 1 262 . 1 1 20 20 ASN HB2 H 1 2.776 0.001 . 1 . . . A 20 ASN HB2 . 19726 1 263 . 1 1 20 20 ASN HB3 H 1 2.776 0.001 . 1 . . . A 20 ASN HB3 . 19726 1 264 . 1 1 20 20 ASN HD21 H 1 7.656 0.000 . 2 . . . A 20 ASN HD21 . 19726 1 265 . 1 1 20 20 ASN HD22 H 1 6.996 0.000 . 2 . . . A 20 ASN HD22 . 19726 1 266 . 1 1 20 20 ASN CA C 13 52.661 0.000 . 1 . . . A 20 ASN CA . 19726 1 267 . 1 1 20 20 ASN CB C 13 35.061 0.000 . 1 . . . A 20 ASN CB . 19726 1 268 . 1 1 20 20 ASN N N 15 115.132 0.002 . 1 . . . A 20 ASN N . 19726 1 269 . 1 1 20 20 ASN ND2 N 15 113.731 0.003 . 1 . . . A 20 ASN ND2 . 19726 1 270 . 1 1 21 21 GLU H H 1 7.708 0.005 . 1 . . . A 21 GLU H . 19726 1 271 . 1 1 21 21 GLU HA H 1 3.974 0.000 . 1 . . . A 21 GLU HA . 19726 1 272 . 1 1 21 21 GLU HB2 H 1 1.904 0.001 . 2 . . . A 21 GLU HB2 . 19726 1 273 . 1 1 21 21 GLU HB3 H 1 1.563 0.003 . 2 . . . A 21 GLU HB3 . 19726 1 274 . 1 1 21 21 GLU HG2 H 1 2.050 0.008 . 1 . . . A 21 GLU HG2 . 19726 1 275 . 1 1 21 21 GLU HG3 H 1 2.050 0.008 . 1 . . . A 21 GLU HG3 . 19726 1 276 . 1 1 21 21 GLU CA C 13 55.537 0.000 . 1 . . . A 21 GLU CA . 19726 1 277 . 1 1 21 21 GLU CB C 13 28.048 0.008 . 1 . . . A 21 GLU CB . 19726 1 278 . 1 1 21 21 GLU CG C 13 34.242 0.000 . 1 . . . A 21 GLU CG . 19726 1 279 . 1 1 21 21 GLU N N 15 118.788 0.005 . 1 . . . A 21 GLU N . 19726 1 280 . 1 1 22 22 TYR H H 1 7.333 0.005 . 1 . . . A 22 TYR H . 19726 1 281 . 1 1 22 22 TYR HA H 1 5.075 0.001 . 1 . . . A 22 TYR HA . 19726 1 282 . 1 1 22 22 TYR HB2 H 1 3.053 0.002 . 2 . . . A 22 TYR HB2 . 19726 1 283 . 1 1 22 22 TYR HB3 H 1 3.186 0.000 . 2 . . . A 22 TYR HB3 . 19726 1 284 . 1 1 22 22 TYR HD1 H 1 7.324 0.004 . 1 . . . A 22 TYR HD1 . 19726 1 285 . 1 1 22 22 TYR HD2 H 1 7.324 0.004 . 1 . . . A 22 TYR HD2 . 19726 1 286 . 1 1 22 22 TYR HE1 H 1 6.839 0.004 . 1 . . . A 22 TYR HE1 . 19726 1 287 . 1 1 22 22 TYR HE2 H 1 6.839 0.004 . 1 . . . A 22 TYR HE2 . 19726 1 288 . 1 1 22 22 TYR CA C 13 52.336 0.000 . 1 . . . A 22 TYR CA . 19726 1 289 . 1 1 22 22 TYR CB C 13 36.207 0.037 . 1 . . . A 22 TYR CB . 19726 1 290 . 1 1 22 22 TYR CD1 C 13 131.644 0.031 . 3 . . . A 22 TYR CD1 . 19726 1 291 . 1 1 22 22 TYR CE1 C 13 115.283 0.000 . 3 . . . A 22 TYR CE1 . 19726 1 292 . 1 1 22 22 TYR N N 15 115.941 0.006 . 1 . . . A 22 TYR N . 19726 1 293 . 1 1 23 23 PRO HA H 1 4.723 0.000 . 1 . . . A 23 PRO HA . 19726 1 294 . 1 1 23 23 PRO HB2 H 1 2.395 0.004 . 1 . . . A 23 PRO HB2 . 19726 1 295 . 1 1 23 23 PRO HB3 H 1 2.395 0.004 . 1 . . . A 23 PRO HB3 . 19726 1 296 . 1 1 23 23 PRO HG2 H 1 2.012 0.000 . 1 . . . A 23 PRO HG2 . 19726 1 297 . 1 1 23 23 PRO HG3 H 1 2.012 0.000 . 1 . . . A 23 PRO HG3 . 19726 1 298 . 1 1 23 23 PRO HD2 H 1 3.349 0.003 . 2 . . . A 23 PRO HD2 . 19726 1 299 . 1 1 23 23 PRO HD3 H 1 3.648 0.003 . 2 . . . A 23 PRO HD3 . 19726 1 300 . 1 1 23 23 PRO CB C 13 29.600 0.026 . 1 . . . A 23 PRO CB . 19726 1 301 . 1 1 23 23 PRO CD C 13 47.574 0.003 . 1 . . . A 23 PRO CD . 19726 1 302 . 1 1 24 24 ASP H H 1 8.612 0.005 . 1 . . . A 24 ASP H . 19726 1 303 . 1 1 24 24 ASP HA H 1 4.806 0.000 . 1 . . . A 24 ASP HA . 19726 1 304 . 1 1 24 24 ASP HB2 H 1 2.651 0.000 . 2 . . . A 24 ASP HB2 . 19726 1 305 . 1 1 24 24 ASP HB3 H 1 2.828 0.000 . 2 . . . A 24 ASP HB3 . 19726 1 306 . 1 1 24 24 ASP CB C 13 38.614 0.004 . 1 . . . A 24 ASP CB . 19726 1 307 . 1 1 24 24 ASP N N 15 116.369 0.002 . 1 . . . A 24 ASP N . 19726 1 308 . 1 1 25 25 TYR H H 1 7.482 0.000 . 1 . . . A 25 TYR H . 19726 1 309 . 1 1 25 25 TYR HA H 1 4.200 0.004 . 1 . . . A 25 TYR HA . 19726 1 310 . 1 1 25 25 TYR HB2 H 1 2.464 0.005 . 2 . . . A 25 TYR HB2 . 19726 1 311 . 1 1 25 25 TYR HB3 H 1 2.750 0.005 . 2 . . . A 25 TYR HB3 . 19726 1 312 . 1 1 25 25 TYR HD1 H 1 5.878 0.005 . 1 . . . A 25 TYR HD1 . 19726 1 313 . 1 1 25 25 TYR HD2 H 1 5.878 0.005 . 1 . . . A 25 TYR HD2 . 19726 1 314 . 1 1 25 25 TYR HE1 H 1 6.462 0.002 . 1 . . . A 25 TYR HE1 . 19726 1 315 . 1 1 25 25 TYR HE2 H 1 6.462 0.002 . 1 . . . A 25 TYR HE2 . 19726 1 316 . 1 1 25 25 TYR CA C 13 55.811 0.000 . 1 . . . A 25 TYR CA . 19726 1 317 . 1 1 25 25 TYR CB C 13 37.281 0.035 . 1 . . . A 25 TYR CB . 19726 1 318 . 1 1 25 25 TYR CD1 C 13 130.534 0.050 . 3 . . . A 25 TYR CD1 . 19726 1 319 . 1 1 25 25 TYR CE1 C 13 114.936 0.136 . 3 . . . A 25 TYR CE1 . 19726 1 320 . 1 1 25 25 TYR N N 15 122.283 0.009 . 1 . . . A 25 TYR N . 19726 1 321 . 1 1 26 26 ASN H H 1 8.305 0.000 . 1 . . . A 26 ASN H . 19726 1 322 . 1 1 26 26 ASN HA H 1 4.665 0.002 . 1 . . . A 26 ASN HA . 19726 1 323 . 1 1 26 26 ASN HB2 H 1 2.625 0.005 . 2 . . . A 26 ASN HB2 . 19726 1 324 . 1 1 26 26 ASN HB3 H 1 3.331 0.006 . 2 . . . A 26 ASN HB3 . 19726 1 325 . 1 1 26 26 ASN HD21 H 1 7.095 0.000 . 2 . . . A 26 ASN HD21 . 19726 1 326 . 1 1 26 26 ASN HD22 H 1 8.316 0.004 . 2 . . . A 26 ASN HD22 . 19726 1 327 . 1 1 26 26 ASN CA C 13 48.256 0.000 . 1 . . . A 26 ASN CA . 19726 1 328 . 1 1 26 26 ASN CB C 13 33.860 0.001 . 1 . . . A 26 ASN CB . 19726 1 329 . 1 1 26 26 ASN N N 15 126.813 0.003 . 1 . . . A 26 ASN N . 19726 1 330 . 1 1 26 26 ASN ND2 N 15 113.745 0.020 . 1 . . . A 26 ASN ND2 . 19726 1 331 . 1 1 27 27 PHE H H 1 8.037 0.001 . 1 . . . A 27 PHE H . 19726 1 332 . 1 1 27 27 PHE HA H 1 4.009 0.002 . 1 . . . A 27 PHE HA . 19726 1 333 . 1 1 27 27 PHE HB2 H 1 2.851 0.005 . 1 . . . A 27 PHE HB2 . 19726 1 334 . 1 1 27 27 PHE HB3 H 1 2.851 0.005 . 1 . . . A 27 PHE HB3 . 19726 1 335 . 1 1 27 27 PHE HD1 H 1 7.407 0.007 . 1 . . . A 27 PHE HD1 . 19726 1 336 . 1 1 27 27 PHE HD2 H 1 7.407 0.007 . 1 . . . A 27 PHE HD2 . 19726 1 337 . 1 1 27 27 PHE HE1 H 1 7.033 0.004 . 1 . . . A 27 PHE HE1 . 19726 1 338 . 1 1 27 27 PHE HE2 H 1 7.033 0.004 . 1 . . . A 27 PHE HE2 . 19726 1 339 . 1 1 27 27 PHE CA C 13 59.829 0.000 . 1 . . . A 27 PHE CA . 19726 1 340 . 1 1 27 27 PHE CD1 C 13 129.445 0.000 . 3 . . . A 27 PHE CD1 . 19726 1 341 . 1 1 27 27 PHE CE1 C 13 127.350 0.000 . 3 . . . A 27 PHE CE1 . 19726 1 342 . 1 1 27 27 PHE N N 15 124.085 0.005 . 1 . . . A 27 PHE N . 19726 1 343 . 1 1 28 28 VAL H H 1 8.198 0.004 . 1 . . . A 28 VAL H . 19726 1 344 . 1 1 28 28 VAL HA H 1 3.094 0.001 . 1 . . . A 28 VAL HA . 19726 1 345 . 1 1 28 28 VAL HB H 1 1.886 0.003 . 1 . . . A 28 VAL HB . 19726 1 346 . 1 1 28 28 VAL HG11 H 1 0.574 0.002 . 1 . . . A 28 VAL MG1 . 19726 1 347 . 1 1 28 28 VAL HG12 H 1 0.574 0.002 . 1 . . . A 28 VAL MG1 . 19726 1 348 . 1 1 28 28 VAL HG13 H 1 0.574 0.002 . 1 . . . A 28 VAL MG1 . 19726 1 349 . 1 1 28 28 VAL HG21 H 1 1.010 0.000 . 1 . . . A 28 VAL MG2 . 19726 1 350 . 1 1 28 28 VAL HG22 H 1 1.010 0.000 . 1 . . . A 28 VAL MG2 . 19726 1 351 . 1 1 28 28 VAL HG23 H 1 1.010 0.000 . 1 . . . A 28 VAL MG2 . 19726 1 352 . 1 1 28 28 VAL CA C 13 65.205 0.000 . 1 . . . A 28 VAL CA . 19726 1 353 . 1 1 28 28 VAL CB C 13 29.151 0.000 . 1 . . . A 28 VAL CB . 19726 1 354 . 1 1 28 28 VAL CG1 C 13 19.565 0.005 . 1 . . . A 28 VAL CG1 . 19726 1 355 . 1 1 28 28 VAL CG2 C 13 21.016 0.000 . 1 . . . A 28 VAL CG2 . 19726 1 356 . 1 1 28 28 VAL N N 15 116.566 0.002 . 1 . . . A 28 VAL N . 19726 1 357 . 1 1 29 29 GLY H H 1 7.674 0.000 . 1 . . . A 29 GLY H . 19726 1 358 . 1 1 29 29 GLY HA2 H 1 3.145 0.004 . 2 . . . A 29 GLY HA2 . 19726 1 359 . 1 1 29 29 GLY HA3 H 1 3.510 0.004 . 2 . . . A 29 GLY HA3 . 19726 1 360 . 1 1 29 29 GLY CA C 13 43.339 0.012 . 1 . . . A 29 GLY CA . 19726 1 361 . 1 1 29 29 GLY N N 15 102.649 0.006 . 1 . . . A 29 GLY N . 19726 1 362 . 1 1 30 30 ARG H H 1 6.626 0.001 . 1 . . . A 30 ARG H . 19726 1 363 . 1 1 30 30 ARG HA H 1 4.188 0.002 . 1 . . . A 30 ARG HA . 19726 1 364 . 1 1 30 30 ARG HB2 H 1 1.974 0.003 . 2 . . . A 30 ARG HB2 . 19726 1 365 . 1 1 30 30 ARG HB3 H 1 1.786 0.007 . 2 . . . A 30 ARG HB3 . 19726 1 366 . 1 1 30 30 ARG HG2 H 1 1.569 0.005 . 1 . . . A 30 ARG HG2 . 19726 1 367 . 1 1 30 30 ARG HG3 H 1 1.569 0.005 . 1 . . . A 30 ARG HG3 . 19726 1 368 . 1 1 30 30 ARG HD2 H 1 3.068 0.006 . 1 . . . A 30 ARG HD2 . 19726 1 369 . 1 1 30 30 ARG HD3 H 1 3.068 0.006 . 1 . . . A 30 ARG HD3 . 19726 1 370 . 1 1 30 30 ARG HE H 1 8.092 0.004 . 1 . . . A 30 ARG HE . 19726 1 371 . 1 1 30 30 ARG CA C 13 54.847 0.000 . 1 . . . A 30 ARG CA . 19726 1 372 . 1 1 30 30 ARG N N 15 119.227 0.010 . 1 . . . A 30 ARG N . 19726 1 373 . 1 1 30 30 ARG NE N 15 85.159 0.020 . 1 . . . A 30 ARG NE . 19726 1 374 . 1 1 31 31 ILE H H 1 7.353 0.004 . 1 . . . A 31 ILE H . 19726 1 375 . 1 1 31 31 ILE HA H 1 3.611 0.001 . 1 . . . A 31 ILE HA . 19726 1 376 . 1 1 31 31 ILE HB H 1 1.423 0.004 . 1 . . . A 31 ILE HB . 19726 1 377 . 1 1 31 31 ILE HG12 H 1 1.745 0.000 . 1 . . . A 31 ILE HG12 . 19726 1 378 . 1 1 31 31 ILE HG13 H 1 1.745 0.000 . 1 . . . A 31 ILE HG13 . 19726 1 379 . 1 1 31 31 ILE HG21 H 1 0.490 0.000 . 1 . . . A 31 ILE MG . 19726 1 380 . 1 1 31 31 ILE HG22 H 1 0.490 0.000 . 1 . . . A 31 ILE MG . 19726 1 381 . 1 1 31 31 ILE HG23 H 1 0.490 0.000 . 1 . . . A 31 ILE MG . 19726 1 382 . 1 1 31 31 ILE HD11 H 1 0.593 0.001 . 1 . . . A 31 ILE MD . 19726 1 383 . 1 1 31 31 ILE HD12 H 1 0.593 0.001 . 1 . . . A 31 ILE MD . 19726 1 384 . 1 1 31 31 ILE HD13 H 1 0.593 0.001 . 1 . . . A 31 ILE MD . 19726 1 385 . 1 1 31 31 ILE CA C 13 60.810 0.000 . 1 . . . A 31 ILE CA . 19726 1 386 . 1 1 31 31 ILE CB C 13 36.034 0.000 . 1 . . . A 31 ILE CB . 19726 1 387 . 1 1 31 31 ILE CG1 C 13 26.686 0.000 . 1 . . . A 31 ILE CG1 . 19726 1 388 . 1 1 31 31 ILE CG2 C 13 13.585 0.000 . 1 . . . A 31 ILE CG2 . 19726 1 389 . 1 1 31 31 ILE CD1 C 13 11.079 0.000 . 1 . . . A 31 ILE CD1 . 19726 1 390 . 1 1 31 31 ILE N N 15 116.401 0.011 . 1 . . . A 31 ILE N . 19726 1 391 . 1 1 32 32 LEU H H 1 7.466 0.000 . 1 . . . A 32 LEU H . 19726 1 392 . 1 1 32 32 LEU HA H 1 3.817 0.001 . 1 . . . A 32 LEU HA . 19726 1 393 . 1 1 32 32 LEU HB2 H 1 0.657 0.000 . 1 . . . A 32 LEU HB2 . 19726 1 394 . 1 1 32 32 LEU HB3 H 1 0.657 0.000 . 1 . . . A 32 LEU HB3 . 19726 1 395 . 1 1 32 32 LEU HG H 1 1.444 0.004 . 1 . . . A 32 LEU HG . 19726 1 396 . 1 1 32 32 LEU HD11 H 1 -0.356 0.002 . 1 . . . A 32 LEU MD1 . 19726 1 397 . 1 1 32 32 LEU HD12 H 1 -0.356 0.002 . 1 . . . A 32 LEU MD1 . 19726 1 398 . 1 1 32 32 LEU HD13 H 1 -0.356 0.002 . 1 . . . A 32 LEU MD1 . 19726 1 399 . 1 1 32 32 LEU HD21 H 1 -0.548 0.001 . 1 . . . A 32 LEU MD2 . 19726 1 400 . 1 1 32 32 LEU HD22 H 1 -0.548 0.001 . 1 . . . A 32 LEU MD2 . 19726 1 401 . 1 1 32 32 LEU HD23 H 1 -0.548 0.001 . 1 . . . A 32 LEU MD2 . 19726 1 402 . 1 1 32 32 LEU CA C 13 54.884 0.000 . 1 . . . A 32 LEU CA . 19726 1 403 . 1 1 32 32 LEU CB C 13 38.696 0.000 . 1 . . . A 32 LEU CB . 19726 1 404 . 1 1 32 32 LEU CG C 13 22.899 0.000 . 1 . . . A 32 LEU CG . 19726 1 405 . 1 1 32 32 LEU CD1 C 13 23.090 0.000 . 1 . . . A 32 LEU CD1 . 19726 1 406 . 1 1 32 32 LEU CD2 C 13 19.563 0.000 . 1 . . . A 32 LEU CD2 . 19726 1 407 . 1 1 32 32 LEU N N 15 113.863 0.006 . 1 . . . A 32 LEU N . 19726 1 408 . 1 1 33 33 GLY H H 1 7.998 0.008 . 1 . . . A 33 GLY H . 19726 1 409 . 1 1 33 33 GLY HA2 H 1 4.240 0.002 . 1 . . . A 33 GLY HA2 . 19726 1 410 . 1 1 33 33 GLY HA3 H 1 4.240 0.002 . 1 . . . A 33 GLY HA3 . 19726 1 411 . 1 1 33 33 GLY CA C 13 41.976 0.000 . 1 . . . A 33 GLY CA . 19726 1 412 . 1 1 33 33 GLY N N 15 105.825 0.003 . 1 . . . A 33 GLY N . 19726 1 413 . 1 1 34 34 PRO HA H 1 4.587 0.004 . 1 . . . A 34 PRO HA . 19726 1 414 . 1 1 34 34 PRO HB2 H 1 1.955 0.002 . 1 . . . A 34 PRO HB2 . 19726 1 415 . 1 1 34 34 PRO HB3 H 1 1.955 0.002 . 1 . . . A 34 PRO HB3 . 19726 1 416 . 1 1 34 34 PRO HG2 H 1 2.355 0.000 . 2 . . . A 34 PRO HG2 . 19726 1 417 . 1 1 34 34 PRO HG3 H 1 2.077 0.006 . 2 . . . A 34 PRO HG3 . 19726 1 418 . 1 1 34 34 PRO HD2 H 1 3.627 0.007 . 2 . . . A 34 PRO HD2 . 19726 1 419 . 1 1 34 34 PRO HD3 H 1 3.820 0.005 . 2 . . . A 34 PRO HD3 . 19726 1 420 . 1 1 34 34 PRO CA C 13 60.393 0.042 . 1 . . . A 34 PRO CA . 19726 1 421 . 1 1 34 34 PRO CB C 13 28.263 0.000 . 1 . . . A 34 PRO CB . 19726 1 422 . 1 1 34 34 PRO CG C 13 25.963 0.005 . 1 . . . A 34 PRO CG . 19726 1 423 . 1 1 34 34 PRO CD C 13 46.630 0.017 . 1 . . . A 34 PRO CD . 19726 1 424 . 1 1 35 35 ARG H H 1 11.042 0.003 . 1 . . . A 35 ARG H . 19726 1 425 . 1 1 35 35 ARG HA H 1 4.157 0.004 . 1 . . . A 35 ARG HA . 19726 1 426 . 1 1 35 35 ARG HB2 H 1 2.089 0.002 . 1 . . . A 35 ARG HB2 . 19726 1 427 . 1 1 35 35 ARG HB3 H 1 2.089 0.002 . 1 . . . A 35 ARG HB3 . 19726 1 428 . 1 1 35 35 ARG HG2 H 1 1.685 0.004 . 1 . . . A 35 ARG HG2 . 19726 1 429 . 1 1 35 35 ARG HG3 H 1 1.685 0.004 . 1 . . . A 35 ARG HG3 . 19726 1 430 . 1 1 35 35 ARG HD2 H 1 3.183 0.003 . 2 . . . A 35 ARG HD2 . 19726 1 431 . 1 1 35 35 ARG HD3 H 1 3.386 0.003 . 2 . . . A 35 ARG HD3 . 19726 1 432 . 1 1 35 35 ARG HE H 1 7.348 0.003 . 1 . . . A 35 ARG HE . 19726 1 433 . 1 1 35 35 ARG CA C 13 53.711 0.000 . 1 . . . A 35 ARG CA . 19726 1 434 . 1 1 35 35 ARG CG C 13 24.837 0.082 . 1 . . . A 35 ARG CG . 19726 1 435 . 1 1 35 35 ARG CD C 13 40.510 0.047 . 1 . . . A 35 ARG CD . 19726 1 436 . 1 1 35 35 ARG N N 15 122.741 0.023 . 1 . . . A 35 ARG N . 19726 1 437 . 1 1 35 35 ARG NE N 15 85.473 0.043 . 1 . . . A 35 ARG NE . 19726 1 438 . 1 1 36 36 GLY H H 1 7.963 0.006 . 1 . . . A 36 GLY H . 19726 1 439 . 1 1 36 36 GLY HA2 H 1 3.557 0.006 . 2 . . . A 36 GLY HA2 . 19726 1 440 . 1 1 36 36 GLY HA3 H 1 4.178 0.001 . 2 . . . A 36 GLY HA3 . 19726 1 441 . 1 1 36 36 GLY CA C 13 43.870 0.007 . 1 . . . A 36 GLY CA . 19726 1 442 . 1 1 36 36 GLY N N 15 105.308 0.005 . 1 . . . A 36 GLY N . 19726 1 443 . 1 1 37 37 MET H H 1 8.273 0.004 . 1 . . . A 37 MET H . 19726 1 444 . 1 1 37 37 MET HA H 1 4.060 0.000 . 1 . . . A 37 MET HA . 19726 1 445 . 1 1 37 37 MET HB2 H 1 2.107 0.000 . 2 . . . A 37 MET HB2 . 19726 1 446 . 1 1 37 37 MET HB3 H 1 2.249 0.000 . 2 . . . A 37 MET HB3 . 19726 1 447 . 1 1 37 37 MET HG2 H 1 2.724 0.001 . 1 . . . A 37 MET HG2 . 19726 1 448 . 1 1 37 37 MET HG3 H 1 2.724 0.001 . 1 . . . A 37 MET HG3 . 19726 1 449 . 1 1 37 37 MET HE1 H 1 2.069 0.001 . 1 . . . A 37 MET ME . 19726 1 450 . 1 1 37 37 MET HE2 H 1 2.069 0.001 . 1 . . . A 37 MET ME . 19726 1 451 . 1 1 37 37 MET HE3 H 1 2.069 0.001 . 1 . . . A 37 MET ME . 19726 1 452 . 1 1 37 37 MET CB C 13 30.186 0.013 . 1 . . . A 37 MET CB . 19726 1 453 . 1 1 37 37 MET CE C 13 13.746 0.015 . 1 . . . A 37 MET CE . 19726 1 454 . 1 1 37 37 MET N N 15 115.436 0.005 . 1 . . . A 37 MET N . 19726 1 455 . 1 1 38 38 THR H H 1 8.243 0.004 . 1 . . . A 38 THR H . 19726 1 456 . 1 1 38 38 THR HA H 1 4.064 0.000 . 1 . . . A 38 THR HA . 19726 1 457 . 1 1 38 38 THR HB H 1 3.545 0.002 . 1 . . . A 38 THR HB . 19726 1 458 . 1 1 38 38 THR HG21 H 1 1.192 0.001 . 1 . . . A 38 THR MG . 19726 1 459 . 1 1 38 38 THR HG22 H 1 1.192 0.001 . 1 . . . A 38 THR MG . 19726 1 460 . 1 1 38 38 THR HG23 H 1 1.192 0.001 . 1 . . . A 38 THR MG . 19726 1 461 . 1 1 38 38 THR CA C 13 64.205 0.000 . 1 . . . A 38 THR CA . 19726 1 462 . 1 1 38 38 THR CB C 13 64.934 0.000 . 1 . . . A 38 THR CB . 19726 1 463 . 1 1 38 38 THR CG2 C 13 19.519 0.000 . 1 . . . A 38 THR CG2 . 19726 1 464 . 1 1 38 38 THR N N 15 120.097 0.009 . 1 . . . A 38 THR N . 19726 1 465 . 1 1 39 39 ALA H H 1 7.596 0.004 . 1 . . . A 39 ALA H . 19726 1 466 . 1 1 39 39 ALA HA H 1 3.983 0.002 . 1 . . . A 39 ALA HA . 19726 1 467 . 1 1 39 39 ALA HB1 H 1 1.509 0.000 . 1 . . . A 39 ALA MB . 19726 1 468 . 1 1 39 39 ALA HB2 H 1 1.509 0.000 . 1 . . . A 39 ALA MB . 19726 1 469 . 1 1 39 39 ALA HB3 H 1 1.509 0.000 . 1 . . . A 39 ALA MB . 19726 1 470 . 1 1 39 39 ALA CA C 13 53.223 0.000 . 1 . . . A 39 ALA CA . 19726 1 471 . 1 1 39 39 ALA CB C 13 15.405 0.000 . 1 . . . A 39 ALA CB . 19726 1 472 . 1 1 39 39 ALA N N 15 128.050 0.002 . 1 . . . A 39 ALA N . 19726 1 473 . 1 1 40 40 LYS H H 1 8.600 0.004 . 1 . . . A 40 LYS H . 19726 1 474 . 1 1 40 40 LYS HA H 1 4.178 0.000 . 1 . . . A 40 LYS HA . 19726 1 475 . 1 1 40 40 LYS N N 15 116.387 0.007 . 1 . . . A 40 LYS N . 19726 1 476 . 1 1 41 41 GLN H H 1 8.021 0.001 . 1 . . . A 41 GLN H . 19726 1 477 . 1 1 41 41 GLN HA H 1 3.995 0.000 . 1 . . . A 41 GLN HA . 19726 1 478 . 1 1 41 41 GLN HB2 H 1 2.309 0.001 . 1 . . . A 41 GLN HB2 . 19726 1 479 . 1 1 41 41 GLN HB3 H 1 2.309 0.001 . 1 . . . A 41 GLN HB3 . 19726 1 480 . 1 1 41 41 GLN CA C 13 56.028 0.000 . 1 . . . A 41 GLN CA . 19726 1 481 . 1 1 41 41 GLN CB C 13 25.560 0.000 . 1 . . . A 41 GLN CB . 19726 1 482 . 1 1 41 41 GLN N N 15 120.486 0.001 . 1 . . . A 41 GLN N . 19726 1 483 . 1 1 42 42 LEU H H 1 7.971 0.008 . 1 . . . A 42 LEU H . 19726 1 484 . 1 1 42 42 LEU HA H 1 4.255 0.002 . 1 . . . A 42 LEU HA . 19726 1 485 . 1 1 42 42 LEU HB2 H 1 1.658 0.004 . 2 . . . A 42 LEU HB2 . 19726 1 486 . 1 1 42 42 LEU HB3 H 1 1.861 0.001 . 2 . . . A 42 LEU HB3 . 19726 1 487 . 1 1 42 42 LEU HD11 H 1 0.854 0.000 . 2 . . . A 42 LEU MD1 . 19726 1 488 . 1 1 42 42 LEU HD12 H 1 0.854 0.000 . 2 . . . A 42 LEU MD1 . 19726 1 489 . 1 1 42 42 LEU HD13 H 1 0.854 0.000 . 2 . . . A 42 LEU MD1 . 19726 1 490 . 1 1 42 42 LEU HD21 H 1 0.801 0.000 . 2 . . . A 42 LEU MD2 . 19726 1 491 . 1 1 42 42 LEU HD22 H 1 0.801 0.000 . 2 . . . A 42 LEU MD2 . 19726 1 492 . 1 1 42 42 LEU HD23 H 1 0.801 0.000 . 2 . . . A 42 LEU MD2 . 19726 1 493 . 1 1 42 42 LEU CA C 13 55.757 0.000 . 1 . . . A 42 LEU CA . 19726 1 494 . 1 1 42 42 LEU CB C 13 39.622 0.001 . 1 . . . A 42 LEU CB . 19726 1 495 . 1 1 42 42 LEU CD1 C 13 22.564 0.000 . 2 . . . A 42 LEU CD1 . 19726 1 496 . 1 1 42 42 LEU CD2 C 13 22.150 0.000 . 2 . . . A 42 LEU CD2 . 19726 1 497 . 1 1 42 42 LEU N N 15 121.862 0.004 . 1 . . . A 42 LEU N . 19726 1 498 . 1 1 43 43 GLU H H 1 8.571 0.007 . 1 . . . A 43 GLU H . 19726 1 499 . 1 1 43 43 GLU HA H 1 4.174 0.000 . 1 . . . A 43 GLU HA . 19726 1 500 . 1 1 43 43 GLU HB2 H 1 2.395 0.006 . 1 . . . A 43 GLU HB2 . 19726 1 501 . 1 1 43 43 GLU HB3 H 1 2.395 0.006 . 1 . . . A 43 GLU HB3 . 19726 1 502 . 1 1 43 43 GLU HG2 H 1 2.808 0.001 . 1 . . . A 43 GLU HG2 . 19726 1 503 . 1 1 43 43 GLU HG3 H 1 2.808 0.001 . 1 . . . A 43 GLU HG3 . 19726 1 504 . 1 1 43 43 GLU CA C 13 57.396 0.000 . 1 . . . A 43 GLU CA . 19726 1 505 . 1 1 43 43 GLU CB C 13 27.425 0.000 . 1 . . . A 43 GLU CB . 19726 1 506 . 1 1 43 43 GLU CG C 13 34.645 0.000 . 1 . . . A 43 GLU CG . 19726 1 507 . 1 1 43 43 GLU N N 15 122.004 0.007 . 1 . . . A 43 GLU N . 19726 1 508 . 1 1 44 44 GLN H H 1 8.168 0.002 . 1 . . . A 44 GLN H . 19726 1 509 . 1 1 44 44 GLN HA H 1 4.060 0.001 . 1 . . . A 44 GLN HA . 19726 1 510 . 1 1 44 44 GLN HB2 H 1 2.244 0.008 . 1 . . . A 44 GLN HB2 . 19726 1 511 . 1 1 44 44 GLN HB3 H 1 2.244 0.008 . 1 . . . A 44 GLN HB3 . 19726 1 512 . 1 1 44 44 GLN HG2 H 1 2.494 0.006 . 1 . . . A 44 GLN HG2 . 19726 1 513 . 1 1 44 44 GLN HG3 H 1 2.494 0.006 . 1 . . . A 44 GLN HG3 . 19726 1 514 . 1 1 44 44 GLN HE21 H 1 6.769 0.000 . 2 . . . A 44 GLN HE21 . 19726 1 515 . 1 1 44 44 GLN HE22 H 1 7.864 0.002 . 2 . . . A 44 GLN HE22 . 19726 1 516 . 1 1 44 44 GLN CA C 13 56.174 0.000 . 1 . . . A 44 GLN CA . 19726 1 517 . 1 1 44 44 GLN CB C 13 25.974 0.000 . 1 . . . A 44 GLN CB . 19726 1 518 . 1 1 44 44 GLN CG C 13 31.453 0.000 . 1 . . . A 44 GLN CG . 19726 1 519 . 1 1 44 44 GLN N N 15 120.043 0.004 . 1 . . . A 44 GLN N . 19726 1 520 . 1 1 44 44 GLN NE2 N 15 114.690 0.001 . 1 . . . A 44 GLN NE2 . 19726 1 521 . 1 1 45 45 ASP H H 1 8.830 0.006 . 1 . . . A 45 ASP H . 19726 1 522 . 1 1 45 45 ASP HA H 1 4.489 0.004 . 1 . . . A 45 ASP HA . 19726 1 523 . 1 1 45 45 ASP HB2 H 1 2.744 0.001 . 2 . . . A 45 ASP HB2 . 19726 1 524 . 1 1 45 45 ASP HB3 H 1 2.845 0.002 . 2 . . . A 45 ASP HB3 . 19726 1 525 . 1 1 45 45 ASP CA C 13 54.491 0.000 . 1 . . . A 45 ASP CA . 19726 1 526 . 1 1 45 45 ASP CB C 13 38.590 0.011 . 1 . . . A 45 ASP CB . 19726 1 527 . 1 1 45 45 ASP N N 15 118.520 0.005 . 1 . . . A 45 ASP N . 19726 1 528 . 1 1 46 46 THR H H 1 7.927 0.003 . 1 . . . A 46 THR H . 19726 1 529 . 1 1 46 46 THR HA H 1 4.462 0.000 . 1 . . . A 46 THR HA . 19726 1 530 . 1 1 46 46 THR HB H 1 4.333 0.000 . 1 . . . A 46 THR HB . 19726 1 531 . 1 1 46 46 THR HG21 H 1 1.246 0.001 . 1 . . . A 46 THR MG . 19726 1 532 . 1 1 46 46 THR HG22 H 1 1.246 0.001 . 1 . . . A 46 THR MG . 19726 1 533 . 1 1 46 46 THR HG23 H 1 1.246 0.001 . 1 . . . A 46 THR MG . 19726 1 534 . 1 1 46 46 THR CA C 13 59.548 0.000 . 1 . . . A 46 THR CA . 19726 1 535 . 1 1 46 46 THR CB C 13 70.045 0.000 . 1 . . . A 46 THR CB . 19726 1 536 . 1 1 46 46 THR CG2 C 13 18.811 0.000 . 1 . . . A 46 THR CG2 . 19726 1 537 . 1 1 46 46 THR N N 15 105.737 0.006 . 1 . . . A 46 THR N . 19726 1 538 . 1 1 47 47 GLY H H 1 8.273 0.006 . 1 . . . A 47 GLY H . 19726 1 539 . 1 1 47 47 GLY HA2 H 1 4.034 0.002 . 1 . . . A 47 GLY HA2 . 19726 1 540 . 1 1 47 47 GLY HA3 H 1 4.034 0.002 . 1 . . . A 47 GLY HA3 . 19726 1 541 . 1 1 47 47 GLY CA C 13 43.996 0.000 . 1 . . . A 47 GLY CA . 19726 1 542 . 1 1 47 47 GLY N N 15 111.220 0.000 . 1 . . . A 47 GLY N . 19726 1 543 . 1 1 48 48 CYS H H 1 7.609 0.003 . 1 . . . A 48 CYS H . 19726 1 544 . 1 1 48 48 CYS HA H 1 4.975 0.003 . 1 . . . A 48 CYS HA . 19726 1 545 . 1 1 48 48 CYS HB2 H 1 2.554 0.000 . 2 . . . A 48 CYS HB2 . 19726 1 546 . 1 1 48 48 CYS HB3 H 1 2.636 0.000 . 2 . . . A 48 CYS HB3 . 19726 1 547 . 1 1 48 48 CYS CA C 13 55.698 0.008 . 1 . . . A 48 CYS CA . 19726 1 548 . 1 1 48 48 CYS N N 15 117.075 0.007 . 1 . . . A 48 CYS N . 19726 1 549 . 1 1 49 49 LYS H H 1 8.800 0.003 . 1 . . . A 49 LYS H . 19726 1 550 . 1 1 49 49 LYS HA H 1 4.628 0.000 . 1 . . . A 49 LYS HA . 19726 1 551 . 1 1 49 49 LYS HB2 H 1 1.622 0.002 . 2 . . . A 49 LYS HB2 . 19726 1 552 . 1 1 49 49 LYS HB3 H 1 1.756 0.008 . 2 . . . A 49 LYS HB3 . 19726 1 553 . 1 1 49 49 LYS HG2 H 1 1.266 0.004 . 1 . . . A 49 LYS HG2 . 19726 1 554 . 1 1 49 49 LYS HG3 H 1 1.266 0.004 . 1 . . . A 49 LYS HG3 . 19726 1 555 . 1 1 49 49 LYS CA C 13 52.337 0.000 . 1 . . . A 49 LYS CA . 19726 1 556 . 1 1 49 49 LYS CB C 13 32.166 0.025 . 1 . . . A 49 LYS CB . 19726 1 557 . 1 1 49 49 LYS N N 15 120.980 0.006 . 1 . . . A 49 LYS N . 19726 1 558 . 1 1 50 50 ILE H H 1 9.368 0.009 . 1 . . . A 50 ILE H . 19726 1 559 . 1 1 50 50 ILE HA H 1 4.893 0.002 . 1 . . . A 50 ILE HA . 19726 1 560 . 1 1 50 50 ILE HB H 1 1.779 0.000 . 1 . . . A 50 ILE HB . 19726 1 561 . 1 1 50 50 ILE HG12 H 1 1.382 0.001 . 1 . . . A 50 ILE HG12 . 19726 1 562 . 1 1 50 50 ILE HG13 H 1 1.382 0.001 . 1 . . . A 50 ILE HG13 . 19726 1 563 . 1 1 50 50 ILE HG21 H 1 0.622 0.000 . 1 . . . A 50 ILE MG . 19726 1 564 . 1 1 50 50 ILE HG22 H 1 0.622 0.000 . 1 . . . A 50 ILE MG . 19726 1 565 . 1 1 50 50 ILE HG23 H 1 0.622 0.000 . 1 . . . A 50 ILE MG . 19726 1 566 . 1 1 50 50 ILE HD11 H 1 0.636 0.000 . 1 . . . A 50 ILE MD . 19726 1 567 . 1 1 50 50 ILE HD12 H 1 0.636 0.000 . 1 . . . A 50 ILE MD . 19726 1 568 . 1 1 50 50 ILE HD13 H 1 0.636 0.000 . 1 . . . A 50 ILE MD . 19726 1 569 . 1 1 50 50 ILE CB C 13 37.021 0.000 . 1 . . . A 50 ILE CB . 19726 1 570 . 1 1 50 50 ILE CG1 C 13 24.627 0.000 . 1 . . . A 50 ILE CG1 . 19726 1 571 . 1 1 50 50 ILE CG2 C 13 13.990 0.000 . 1 . . . A 50 ILE CG2 . 19726 1 572 . 1 1 50 50 ILE CD1 C 13 10.227 0.000 . 1 . . . A 50 ILE CD1 . 19726 1 573 . 1 1 50 50 ILE N N 15 124.101 0.031 . 1 . . . A 50 ILE N . 19726 1 574 . 1 1 51 51 MET H H 1 8.938 0.004 . 1 . . . A 51 MET H . 19726 1 575 . 1 1 51 51 MET HA H 1 4.895 0.003 . 1 . . . A 51 MET HA . 19726 1 576 . 1 1 51 51 MET HG2 H 1 2.063 0.005 . 2 . . . A 51 MET HG2 . 19726 1 577 . 1 1 51 51 MET HG3 H 1 2.563 0.002 . 2 . . . A 51 MET HG3 . 19726 1 578 . 1 1 51 51 MET HE1 H 1 1.768 0.004 . 1 . . . A 51 MET ME . 19726 1 579 . 1 1 51 51 MET HE2 H 1 1.768 0.004 . 1 . . . A 51 MET ME . 19726 1 580 . 1 1 51 51 MET HE3 H 1 1.768 0.004 . 1 . . . A 51 MET ME . 19726 1 581 . 1 1 51 51 MET CA C 13 56.592 0.000 . 1 . . . A 51 MET CA . 19726 1 582 . 1 1 51 51 MET CG C 13 29.900 0.043 . 1 . . . A 51 MET CG . 19726 1 583 . 1 1 51 51 MET CE C 13 15.014 0.000 . 1 . . . A 51 MET CE . 19726 1 584 . 1 1 51 51 MET N N 15 124.778 0.020 . 1 . . . A 51 MET N . 19726 1 585 . 1 1 52 52 VAL H H 1 10.519 0.001 . 1 . . . A 52 VAL H . 19726 1 586 . 1 1 52 52 VAL HA H 1 4.519 0.005 . 1 . . . A 52 VAL HA . 19726 1 587 . 1 1 52 52 VAL HB H 1 2.033 0.003 . 1 . . . A 52 VAL HB . 19726 1 588 . 1 1 52 52 VAL HG11 H 1 0.794 0.001 . 1 . . . A 52 VAL MG1 . 19726 1 589 . 1 1 52 52 VAL HG12 H 1 0.794 0.001 . 1 . . . A 52 VAL MG1 . 19726 1 590 . 1 1 52 52 VAL HG13 H 1 0.794 0.001 . 1 . . . A 52 VAL MG1 . 19726 1 591 . 1 1 52 52 VAL HG21 H 1 0.599 0.001 . 1 . . . A 52 VAL MG2 . 19726 1 592 . 1 1 52 52 VAL HG22 H 1 0.599 0.001 . 1 . . . A 52 VAL MG2 . 19726 1 593 . 1 1 52 52 VAL HG23 H 1 0.599 0.001 . 1 . . . A 52 VAL MG2 . 19726 1 594 . 1 1 52 52 VAL CA C 13 60.826 0.000 . 1 . . . A 52 VAL CA . 19726 1 595 . 1 1 52 52 VAL CB C 13 27.942 0.000 . 1 . . . A 52 VAL CB . 19726 1 596 . 1 1 52 52 VAL CG1 C 13 19.332 0.000 . 1 . . . A 52 VAL CG1 . 19726 1 597 . 1 1 52 52 VAL CG2 C 13 18.870 0.000 . 1 . . . A 52 VAL CG2 . 19726 1 598 . 1 1 52 52 VAL N N 15 128.323 0.006 . 1 . . . A 52 VAL N . 19726 1 599 . 1 1 53 53 ARG H H 1 8.823 0.005 . 1 . . . A 53 ARG H . 19726 1 600 . 1 1 53 53 ARG HA H 1 4.564 0.006 . 1 . . . A 53 ARG HA . 19726 1 601 . 1 1 53 53 ARG HB2 H 1 0.794 0.002 . 1 . . . A 53 ARG HB2 . 19726 1 602 . 1 1 53 53 ARG HB3 H 1 0.794 0.002 . 1 . . . A 53 ARG HB3 . 19726 1 603 . 1 1 53 53 ARG HE H 1 7.014 0.001 . 1 . . . A 53 ARG HE . 19726 1 604 . 1 1 53 53 ARG CA C 13 50.885 0.000 . 1 . . . A 53 ARG CA . 19726 1 605 . 1 1 53 53 ARG N N 15 131.251 0.006 . 1 . . . A 53 ARG N . 19726 1 606 . 1 1 53 53 ARG NE N 15 84.953 0.029 . 1 . . . A 53 ARG NE . 19726 1 607 . 1 1 54 54 GLY H H 1 9.651 0.017 . 1 . . . A 54 GLY H . 19726 1 608 . 1 1 54 54 GLY HA3 H 1 4.356 0.002 . 2 . . . A 54 GLY HA3 . 19726 1 609 . 1 1 54 54 GLY CA C 13 40.579 0.000 . 1 . . . A 54 GLY CA . 19726 1 610 . 1 1 55 55 LYS H H 1 9.021 0.005 . 1 . . . A 55 LYS H . 19726 1 611 . 1 1 55 55 LYS HA H 1 4.175 0.001 . 1 . . . A 55 LYS HA . 19726 1 612 . 1 1 55 55 LYS HB2 H 1 1.935 0.004 . 2 . . . A 55 LYS HB2 . 19726 1 613 . 1 1 55 55 LYS HB3 H 1 1.986 0.004 . 2 . . . A 55 LYS HB3 . 19726 1 614 . 1 1 55 55 LYS HG2 H 1 1.655 0.000 . 1 . . . A 55 LYS HG2 . 19726 1 615 . 1 1 55 55 LYS HG3 H 1 1.655 0.000 . 1 . . . A 55 LYS HG3 . 19726 1 616 . 1 1 55 55 LYS HE2 H 1 3.007 0.000 . 1 . . . A 55 LYS HE2 . 19726 1 617 . 1 1 55 55 LYS HE3 H 1 3.007 0.000 . 1 . . . A 55 LYS HE3 . 19726 1 618 . 1 1 55 55 LYS CA C 13 56.147 0.000 . 1 . . . A 55 LYS CA . 19726 1 619 . 1 1 55 55 LYS CB C 13 30.081 0.017 . 1 . . . A 55 LYS CB . 19726 1 620 . 1 1 55 55 LYS CG C 13 22.196 0.000 . 1 . . . A 55 LYS CG . 19726 1 621 . 1 1 55 55 LYS N N 15 121.902 0.018 . 1 . . . A 55 LYS N . 19726 1 622 . 1 1 56 56 GLY H H 1 9.642 0.000 . 1 . . . A 56 GLY H . 19726 1 623 . 1 1 56 56 GLY HA2 H 1 3.923 0.002 . 2 . . . A 56 GLY HA2 . 19726 1 624 . 1 1 56 56 GLY HA3 H 1 4.340 0.000 . 2 . . . A 56 GLY HA3 . 19726 1 625 . 1 1 56 56 GLY CA C 13 42.573 0.000 . 1 . . . A 56 GLY CA . 19726 1 626 . 1 1 57 57 SER H H 1 8.394 0.001 . 1 . . . A 57 SER H . 19726 1 627 . 1 1 57 57 SER HA H 1 4.010 0.000 . 1 . . . A 57 SER HA . 19726 1 628 . 1 1 57 57 SER HB2 H 1 3.501 0.005 . 2 . . . A 57 SER HB2 . 19726 1 629 . 1 1 57 57 SER HB3 H 1 3.832 0.003 . 2 . . . A 57 SER HB3 . 19726 1 630 . 1 1 57 57 SER CA C 13 57.346 0.000 . 1 . . . A 57 SER CA . 19726 1 631 . 1 1 57 57 SER CB C 13 60.867 0.004 . 1 . . . A 57 SER CB . 19726 1 632 . 1 1 57 57 SER N N 15 114.341 0.012 . 1 . . . A 57 SER N . 19726 1 633 . 1 1 58 58 MET H H 1 8.069 0.001 . 1 . . . A 58 MET H . 19726 1 634 . 1 1 58 58 MET HA H 1 4.912 0.002 . 1 . . . A 58 MET HA . 19726 1 635 . 1 1 58 58 MET HB2 H 1 2.180 0.001 . 1 . . . A 58 MET HB2 . 19726 1 636 . 1 1 58 58 MET HB3 H 1 2.180 0.001 . 1 . . . A 58 MET HB3 . 19726 1 637 . 1 1 58 58 MET HG2 H 1 2.690 0.003 . 1 . . . A 58 MET HG2 . 19726 1 638 . 1 1 58 58 MET HG3 H 1 2.690 0.003 . 1 . . . A 58 MET HG3 . 19726 1 639 . 1 1 58 58 MET HE1 H 1 2.042 0.001 . 1 . . . A 58 MET ME . 19726 1 640 . 1 1 58 58 MET HE2 H 1 2.042 0.001 . 1 . . . A 58 MET ME . 19726 1 641 . 1 1 58 58 MET HE3 H 1 2.042 0.001 . 1 . . . A 58 MET ME . 19726 1 642 . 1 1 58 58 MET CA C 13 52.648 0.000 . 1 . . . A 58 MET CA . 19726 1 643 . 1 1 58 58 MET CB C 13 31.516 0.000 . 1 . . . A 58 MET CB . 19726 1 644 . 1 1 58 58 MET CG C 13 29.545 0.000 . 1 . . . A 58 MET CG . 19726 1 645 . 1 1 58 58 MET CE C 13 14.785 0.000 . 1 . . . A 58 MET CE . 19726 1 646 . 1 1 58 58 MET N N 15 120.894 0.016 . 1 . . . A 58 MET N . 19726 1 647 . 1 1 59 59 ARG H H 1 8.603 0.004 . 1 . . . A 59 ARG H . 19726 1 648 . 1 1 59 59 ARG HA H 1 4.161 0.002 . 1 . . . A 59 ARG HA . 19726 1 649 . 1 1 59 59 ARG HB2 H 1 1.825 0.002 . 1 . . . A 59 ARG HB2 . 19726 1 650 . 1 1 59 59 ARG HB3 H 1 1.825 0.002 . 1 . . . A 59 ARG HB3 . 19726 1 651 . 1 1 59 59 ARG HG2 H 1 1.648 0.004 . 1 . . . A 59 ARG HG2 . 19726 1 652 . 1 1 59 59 ARG HG3 H 1 1.648 0.004 . 1 . . . A 59 ARG HG3 . 19726 1 653 . 1 1 59 59 ARG HD2 H 1 3.026 0.000 . 2 . . . A 59 ARG HD2 . 19726 1 654 . 1 1 59 59 ARG HD3 H 1 3.061 0.005 . 2 . . . A 59 ARG HD3 . 19726 1 655 . 1 1 59 59 ARG HE H 1 7.128 0.000 . 1 . . . A 59 ARG HE . 19726 1 656 . 1 1 59 59 ARG CA C 13 55.130 0.000 . 1 . . . A 59 ARG CA . 19726 1 657 . 1 1 59 59 ARG CB C 13 27.905 0.000 . 1 . . . A 59 ARG CB . 19726 1 658 . 1 1 59 59 ARG CG C 13 23.973 0.000 . 1 . . . A 59 ARG CG . 19726 1 659 . 1 1 59 59 ARG CD C 13 41.038 0.030 . 1 . . . A 59 ARG CD . 19726 1 660 . 1 1 59 59 ARG N N 15 123.655 0.003 . 1 . . . A 59 ARG N . 19726 1 661 . 1 1 59 59 ARG NE N 15 84.974 0.000 . 1 . . . A 59 ARG NE . 19726 1 662 . 1 1 60 60 ASP H H 1 8.131 0.003 . 1 . . . A 60 ASP H . 19726 1 663 . 1 1 60 60 ASP HB2 H 1 2.593 0.004 . 2 . . . A 60 ASP HB2 . 19726 1 664 . 1 1 60 60 ASP HB3 H 1 2.878 0.003 . 2 . . . A 60 ASP HB3 . 19726 1 665 . 1 1 60 60 ASP CB C 13 38.398 0.016 . 1 . . . A 60 ASP CB . 19726 1 666 . 1 1 60 60 ASP N N 15 118.471 0.001 . 1 . . . A 60 ASP N . 19726 1 667 . 1 1 61 61 LYS H H 1 8.484 0.001 . 1 . . . A 61 LYS H . 19726 1 668 . 1 1 61 61 LYS HA H 1 4.215 0.005 . 1 . . . A 61 LYS HA . 19726 1 669 . 1 1 61 61 LYS HB2 H 1 1.867 0.002 . 2 . . . A 61 LYS HB2 . 19726 1 670 . 1 1 61 61 LYS HB3 H 1 1.950 0.002 . 2 . . . A 61 LYS HB3 . 19726 1 671 . 1 1 61 61 LYS HG2 H 1 1.568 0.001 . 1 . . . A 61 LYS HG2 . 19726 1 672 . 1 1 61 61 LYS HG3 H 1 1.568 0.001 . 1 . . . A 61 LYS HG3 . 19726 1 673 . 1 1 61 61 LYS HD2 H 1 1.726 0.000 . 1 . . . A 61 LYS HD2 . 19726 1 674 . 1 1 61 61 LYS HD3 H 1 1.726 0.000 . 1 . . . A 61 LYS HD3 . 19726 1 675 . 1 1 61 61 LYS HE2 H 1 3.059 0.004 . 1 . . . A 61 LYS HE2 . 19726 1 676 . 1 1 61 61 LYS HE3 H 1 3.059 0.004 . 1 . . . A 61 LYS HE3 . 19726 1 677 . 1 1 61 61 LYS CA C 13 55.313 0.000 . 1 . . . A 61 LYS CA . 19726 1 678 . 1 1 61 61 LYS CB C 13 29.873 0.066 . 1 . . . A 61 LYS CB . 19726 1 679 . 1 1 61 61 LYS CE C 13 39.622 0.001 . 1 . . . A 61 LYS CE . 19726 1 680 . 1 1 61 61 LYS N N 15 124.590 0.031 . 1 . . . A 61 LYS N . 19726 1 681 . 1 1 62 62 SER H H 1 8.425 0.005 . 1 . . . A 62 SER H . 19726 1 682 . 1 1 62 62 SER HA H 1 4.335 0.000 . 1 . . . A 62 SER HA . 19726 1 683 . 1 1 62 62 SER HB2 H 1 3.961 0.009 . 1 . . . A 62 SER HB2 . 19726 1 684 . 1 1 62 62 SER HB3 H 1 3.961 0.009 . 1 . . . A 62 SER HB3 . 19726 1 685 . 1 1 62 62 SER CA C 13 57.958 0.000 . 1 . . . A 62 SER CA . 19726 1 686 . 1 1 62 62 SER CB C 13 60.238 0.000 . 1 . . . A 62 SER CB . 19726 1 687 . 1 1 62 62 SER N N 15 116.799 0.003 . 1 . . . A 62 SER N . 19726 1 688 . 1 1 63 63 LYS H H 1 7.896 0.005 . 1 . . . A 63 LYS H . 19726 1 689 . 1 1 63 63 LYS HA H 1 4.135 0.004 . 1 . . . A 63 LYS HA . 19726 1 690 . 1 1 63 63 LYS HB2 H 1 1.853 0.003 . 1 . . . A 63 LYS HB2 . 19726 1 691 . 1 1 63 63 LYS HB3 H 1 1.853 0.003 . 1 . . . A 63 LYS HB3 . 19726 1 692 . 1 1 63 63 LYS HG2 H 1 1.275 0.000 . 2 . . . A 63 LYS HG2 . 19726 1 693 . 1 1 63 63 LYS HG3 H 1 1.470 0.006 . 2 . . . A 63 LYS HG3 . 19726 1 694 . 1 1 63 63 LYS HE2 H 1 2.586 0.001 . 2 . . . A 63 LYS HE2 . 19726 1 695 . 1 1 63 63 LYS HE3 H 1 2.890 0.002 . 2 . . . A 63 LYS HE3 . 19726 1 696 . 1 1 63 63 LYS CA C 13 55.503 0.000 . 1 . . . A 63 LYS CA . 19726 1 697 . 1 1 63 63 LYS CB C 13 30.002 0.028 . 1 . . . A 63 LYS CB . 19726 1 698 . 1 1 63 63 LYS CG C 13 22.737 0.066 . 1 . . . A 63 LYS CG . 19726 1 699 . 1 1 63 63 LYS CE C 13 38.441 0.015 . 1 . . . A 63 LYS CE . 19726 1 700 . 1 1 63 63 LYS N N 15 123.862 0.015 . 1 . . . A 63 LYS N . 19726 1 701 . 1 1 64 64 GLU H H 1 8.088 0.001 . 1 . . . A 64 GLU H . 19726 1 702 . 1 1 64 64 GLU HA H 1 4.039 0.003 . 1 . . . A 64 GLU HA . 19726 1 703 . 1 1 64 64 GLU HB2 H 1 2.151 0.002 . 1 . . . A 64 GLU HB2 . 19726 1 704 . 1 1 64 64 GLU HB3 H 1 2.151 0.002 . 1 . . . A 64 GLU HB3 . 19726 1 705 . 1 1 64 64 GLU HG2 H 1 2.238 0.002 . 2 . . . A 64 GLU HG2 . 19726 1 706 . 1 1 64 64 GLU HG3 H 1 2.384 0.000 . 2 . . . A 64 GLU HG3 . 19726 1 707 . 1 1 64 64 GLU CB C 13 27.541 0.021 . 1 . . . A 64 GLU CB . 19726 1 708 . 1 1 64 64 GLU CG C 13 34.715 0.012 . 1 . . . A 64 GLU CG . 19726 1 709 . 1 1 64 64 GLU N N 15 121.213 0.014 . 1 . . . A 64 GLU N . 19726 1 710 . 1 1 65 65 SER H H 1 8.088 0.004 . 1 . . . A 65 SER H . 19726 1 711 . 1 1 65 65 SER HA H 1 4.180 0.001 . 1 . . . A 65 SER HA . 19726 1 712 . 1 1 65 65 SER HB2 H 1 3.913 0.000 . 2 . . . A 65 SER HB2 . 19726 1 713 . 1 1 65 65 SER HB3 H 1 3.958 0.000 . 2 . . . A 65 SER HB3 . 19726 1 714 . 1 1 65 65 SER CA C 13 57.840 0.000 . 1 . . . A 65 SER CA . 19726 1 715 . 1 1 65 65 SER CB C 13 60.505 0.006 . 1 . . . A 65 SER CB . 19726 1 716 . 1 1 65 65 SER N N 15 113.805 0.000 . 1 . . . A 65 SER N . 19726 1 717 . 1 1 66 66 ALA H H 1 7.727 0.002 . 1 . . . A 66 ALA H . 19726 1 718 . 1 1 66 66 ALA HA H 1 4.139 0.002 . 1 . . . A 66 ALA HA . 19726 1 719 . 1 1 66 66 ALA HB1 H 1 1.256 0.001 . 1 . . . A 66 ALA MB . 19726 1 720 . 1 1 66 66 ALA HB2 H 1 1.256 0.001 . 1 . . . A 66 ALA MB . 19726 1 721 . 1 1 66 66 ALA HB3 H 1 1.256 0.001 . 1 . . . A 66 ALA MB . 19726 1 722 . 1 1 66 66 ALA CA C 13 50.798 0.000 . 1 . . . A 66 ALA CA . 19726 1 723 . 1 1 66 66 ALA CB C 13 15.881 0.000 . 1 . . . A 66 ALA CB . 19726 1 724 . 1 1 66 66 ALA N N 15 122.760 0.012 . 1 . . . A 66 ALA N . 19726 1 725 . 1 1 67 67 HIS HD2 H 1 6.238 0.008 . 1 . . . A 67 HIS HD2 . 19726 1 726 . 1 1 67 67 HIS HE1 H 1 7.897 0.000 . 1 . . . A 67 HIS HE1 . 19726 1 727 . 1 1 67 67 HIS CD2 C 13 118.612 0.000 . 1 . . . A 67 HIS CD2 . 19726 1 728 . 1 1 67 67 HIS CE1 C 13 134.340 0.000 . 1 . . . A 67 HIS CE1 . 19726 1 729 . 1 1 69 69 GLY H H 1 8.937 0.000 . 1 . . . A 69 GLY H . 19726 1 730 . 1 1 69 69 GLY HA2 H 1 3.794 0.001 . 2 . . . A 69 GLY HA2 . 19726 1 731 . 1 1 69 69 GLY HA3 H 1 4.085 0.019 . 2 . . . A 69 GLY HA3 . 19726 1 732 . 1 1 69 69 GLY CA C 13 42.713 0.000 . 1 . . . A 69 GLY CA . 19726 1 733 . 1 1 69 69 GLY N N 15 112.290 0.000 . 1 . . . A 69 GLY N . 19726 1 734 . 1 1 70 70 LYS H H 1 7.859 0.000 . 1 . . . A 70 LYS H . 19726 1 735 . 1 1 70 70 LYS HA H 1 4.361 0.001 . 1 . . . A 70 LYS HA . 19726 1 736 . 1 1 70 70 LYS HB2 H 1 1.888 0.000 . 1 . . . A 70 LYS HB2 . 19726 1 737 . 1 1 70 70 LYS HB3 H 1 1.888 0.000 . 1 . . . A 70 LYS HB3 . 19726 1 738 . 1 1 70 70 LYS HG2 H 1 1.285 0.006 . 1 . . . A 70 LYS HG2 . 19726 1 739 . 1 1 70 70 LYS HG3 H 1 1.285 0.006 . 1 . . . A 70 LYS HG3 . 19726 1 740 . 1 1 70 70 LYS HD2 H 1 1.543 0.000 . 1 . . . A 70 LYS HD2 . 19726 1 741 . 1 1 70 70 LYS HD3 H 1 1.543 0.000 . 1 . . . A 70 LYS HD3 . 19726 1 742 . 1 1 70 70 LYS CA C 13 52.901 0.040 . 1 . . . A 70 LYS CA . 19726 1 743 . 1 1 70 70 LYS N N 15 120.287 0.002 . 1 . . . A 70 LYS N . 19726 1 744 . 1 1 71 71 ALA H H 1 8.433 0.007 . 1 . . . A 71 ALA H . 19726 1 745 . 1 1 71 71 ALA HA H 1 4.207 0.001 . 1 . . . A 71 ALA HA . 19726 1 746 . 1 1 71 71 ALA HB1 H 1 1.281 0.001 . 1 . . . A 71 ALA MB . 19726 1 747 . 1 1 71 71 ALA HB2 H 1 1.281 0.001 . 1 . . . A 71 ALA MB . 19726 1 748 . 1 1 71 71 ALA HB3 H 1 1.281 0.001 . 1 . . . A 71 ALA MB . 19726 1 749 . 1 1 71 71 ALA CA C 13 50.709 0.000 . 1 . . . A 71 ALA CA . 19726 1 750 . 1 1 71 71 ALA CB C 13 15.840 0.000 . 1 . . . A 71 ALA CB . 19726 1 751 . 1 1 71 71 ALA N N 15 125.635 0.009 . 1 . . . A 71 ALA N . 19726 1 752 . 1 1 72 72 ASN H H 1 8.666 0.013 . 1 . . . A 72 ASN H . 19726 1 753 . 1 1 72 72 ASN HA H 1 4.576 0.001 . 1 . . . A 72 ASN HA . 19726 1 754 . 1 1 72 72 ASN HB2 H 1 2.821 0.007 . 2 . . . A 72 ASN HB2 . 19726 1 755 . 1 1 72 72 ASN HB3 H 1 3.034 0.001 . 2 . . . A 72 ASN HB3 . 19726 1 756 . 1 1 72 72 ASN HD21 H 1 7.402 0.000 . 2 . . . A 72 ASN HD21 . 19726 1 757 . 1 1 72 72 ASN HD22 H 1 6.913 0.000 . 2 . . . A 72 ASN HD22 . 19726 1 758 . 1 1 72 72 ASN CA C 13 52.589 0.000 . 1 . . . A 72 ASN CA . 19726 1 759 . 1 1 72 72 ASN CB C 13 35.424 0.000 . 1 . . . A 72 ASN CB . 19726 1 760 . 1 1 72 72 ASN N N 15 115.845 0.000 . 1 . . . A 72 ASN N . 19726 1 761 . 1 1 72 72 ASN ND2 N 15 112.881 0.008 . 1 . . . A 72 ASN ND2 . 19726 1 762 . 1 1 73 73 TRP H H 1 8.107 0.000 . 1 . . . A 73 TRP H . 19726 1 763 . 1 1 73 73 TRP HA H 1 4.581 0.001 . 1 . . . A 73 TRP HA . 19726 1 764 . 1 1 73 73 TRP HB2 H 1 3.071 0.006 . 2 . . . A 73 TRP HB2 . 19726 1 765 . 1 1 73 73 TRP HB3 H 1 3.446 0.002 . 2 . . . A 73 TRP HB3 . 19726 1 766 . 1 1 73 73 TRP HD1 H 1 7.217 0.003 . 1 . . . A 73 TRP HD1 . 19726 1 767 . 1 1 73 73 TRP HE1 H 1 10.001 0.001 . 1 . . . A 73 TRP HE1 . 19726 1 768 . 1 1 73 73 TRP HE3 H 1 7.377 0.009 . 1 . . . A 73 TRP HE3 . 19726 1 769 . 1 1 73 73 TRP HZ2 H 1 7.040 0.004 . 1 . . . A 73 TRP HZ2 . 19726 1 770 . 1 1 73 73 TRP HZ3 H 1 7.170 0.002 . 1 . . . A 73 TRP HZ3 . 19726 1 771 . 1 1 73 73 TRP HH2 H 1 6.949 0.010 . 1 . . . A 73 TRP HH2 . 19726 1 772 . 1 1 73 73 TRP CA C 13 54.477 0.045 . 1 . . . A 73 TRP CA . 19726 1 773 . 1 1 73 73 TRP CB C 13 25.853 0.000 . 1 . . . A 73 TRP CB . 19726 1 774 . 1 1 73 73 TRP CD1 C 13 124.785 0.000 . 1 . . . A 73 TRP CD1 . 19726 1 775 . 1 1 73 73 TRP CE3 C 13 117.475 0.000 . 1 . . . A 73 TRP CE3 . 19726 1 776 . 1 1 73 73 TRP CZ2 C 13 111.529 0.000 . 1 . . . A 73 TRP CZ2 . 19726 1 777 . 1 1 73 73 TRP CZ3 C 13 119.095 0.002 . 1 . . . A 73 TRP CZ3 . 19726 1 778 . 1 1 73 73 TRP CH2 C 13 121.566 0.000 . 1 . . . A 73 TRP CH2 . 19726 1 779 . 1 1 73 73 TRP N N 15 120.265 0.002 . 1 . . . A 73 TRP N . 19726 1 780 . 1 1 73 73 TRP NE1 N 15 129.031 0.015 . 1 . . . A 73 TRP NE1 . 19726 1 781 . 1 1 74 74 GLU H H 1 8.122 0.000 . 1 . . . A 74 GLU H . 19726 1 782 . 1 1 74 74 GLU HA H 1 4.100 0.000 . 1 . . . A 74 GLU HA . 19726 1 783 . 1 1 74 74 GLU N N 15 117.073 0.000 . 1 . . . A 74 GLU N . 19726 1 784 . 1 1 75 75 HIS H H 1 8.123 0.000 . 1 . . . A 75 HIS H . 19726 1 785 . 1 1 75 75 HIS HA H 1 4.615 0.003 . 1 . . . A 75 HIS HA . 19726 1 786 . 1 1 75 75 HIS HB2 H 1 3.224 0.001 . 2 . . . A 75 HIS HB2 . 19726 1 787 . 1 1 75 75 HIS HB3 H 1 3.325 0.002 . 2 . . . A 75 HIS HB3 . 19726 1 788 . 1 1 75 75 HIS HD2 H 1 7.373 0.000 . 1 . . . A 75 HIS HD2 . 19726 1 789 . 1 1 75 75 HIS HE1 H 1 7.973 0.003 . 1 . . . A 75 HIS HE1 . 19726 1 790 . 1 1 75 75 HIS CA C 13 54.621 0.000 . 1 . . . A 75 HIS CA . 19726 1 791 . 1 1 75 75 HIS CB C 13 28.133 0.040 . 1 . . . A 75 HIS CB . 19726 1 792 . 1 1 75 75 HIS CE1 C 13 135.971 0.017 . 1 . . . A 75 HIS CE1 . 19726 1 793 . 1 1 75 75 HIS N N 15 117.078 0.005 . 1 . . . A 75 HIS N . 19726 1 794 . 1 1 76 76 LEU H H 1 7.414 0.006 . 1 . . . A 76 LEU H . 19726 1 795 . 1 1 76 76 LEU HA H 1 4.078 0.004 . 1 . . . A 76 LEU HA . 19726 1 796 . 1 1 76 76 LEU HB2 H 1 1.641 0.000 . 2 . . . A 76 LEU HB2 . 19726 1 797 . 1 1 76 76 LEU HB3 H 1 1.869 0.000 . 2 . . . A 76 LEU HB3 . 19726 1 798 . 1 1 76 76 LEU HG H 1 1.441 0.000 . 1 . . . A 76 LEU HG . 19726 1 799 . 1 1 76 76 LEU HD11 H 1 1.075 0.001 . 1 . . . A 76 LEU MD1 . 19726 1 800 . 1 1 76 76 LEU HD12 H 1 1.075 0.001 . 1 . . . A 76 LEU MD1 . 19726 1 801 . 1 1 76 76 LEU HD13 H 1 1.075 0.001 . 1 . . . A 76 LEU MD1 . 19726 1 802 . 1 1 76 76 LEU HD21 H 1 0.984 0.000 . 1 . . . A 76 LEU MD2 . 19726 1 803 . 1 1 76 76 LEU HD22 H 1 0.984 0.000 . 1 . . . A 76 LEU MD2 . 19726 1 804 . 1 1 76 76 LEU HD23 H 1 0.984 0.000 . 1 . . . A 76 LEU MD2 . 19726 1 805 . 1 1 76 76 LEU CA C 13 53.396 0.000 . 1 . . . A 76 LEU CA . 19726 1 806 . 1 1 76 76 LEU CD1 C 13 24.130 0.004 . 1 . . . A 76 LEU CD1 . 19726 1 807 . 1 1 76 76 LEU CD2 C 13 20.335 0.000 . 1 . . . A 76 LEU CD2 . 19726 1 808 . 1 1 76 76 LEU N N 15 119.587 0.011 . 1 . . . A 76 LEU N . 19726 1 809 . 1 1 77 77 GLU H H 1 7.823 0.005 . 1 . . . A 77 GLU H . 19726 1 810 . 1 1 77 77 GLU HA H 1 4.426 0.005 . 1 . . . A 77 GLU HA . 19726 1 811 . 1 1 77 77 GLU HB2 H 1 1.946 0.000 . 2 . . . A 77 GLU HB2 . 19726 1 812 . 1 1 77 77 GLU HB3 H 1 2.324 0.002 . 2 . . . A 77 GLU HB3 . 19726 1 813 . 1 1 77 77 GLU HG2 H 1 2.342 0.000 . 2 . . . A 77 GLU HG2 . 19726 1 814 . 1 1 77 77 GLU HG3 H 1 2.431 0.000 . 2 . . . A 77 GLU HG3 . 19726 1 815 . 1 1 77 77 GLU CA C 13 53.353 0.000 . 1 . . . A 77 GLU CA . 19726 1 816 . 1 1 77 77 GLU CB C 13 27.355 0.031 . 1 . . . A 77 GLU CB . 19726 1 817 . 1 1 77 77 GLU CG C 13 33.562 0.017 . 1 . . . A 77 GLU CG . 19726 1 818 . 1 1 77 77 GLU N N 15 116.068 0.010 . 1 . . . A 77 GLU N . 19726 1 819 . 1 1 78 78 ASP H H 1 8.203 0.003 . 1 . . . A 78 ASP H . 19726 1 820 . 1 1 78 78 ASP HA H 1 4.954 0.000 . 1 . . . A 78 ASP HA . 19726 1 821 . 1 1 78 78 ASP HB2 H 1 2.883 0.001 . 2 . . . A 78 ASP HB2 . 19726 1 822 . 1 1 78 78 ASP HB3 H 1 3.114 0.004 . 2 . . . A 78 ASP HB3 . 19726 1 823 . 1 1 78 78 ASP CA C 13 49.338 0.000 . 1 . . . A 78 ASP CA . 19726 1 824 . 1 1 78 78 ASP CB C 13 40.693 0.014 . 1 . . . A 78 ASP CB . 19726 1 825 . 1 1 78 78 ASP N N 15 121.904 0.001 . 1 . . . A 78 ASP N . 19726 1 826 . 1 1 79 79 ASP H H 1 8.676 0.005 . 1 . . . A 79 ASP H . 19726 1 827 . 1 1 79 79 ASP HA H 1 4.834 0.002 . 1 . . . A 79 ASP HA . 19726 1 828 . 1 1 79 79 ASP HB2 H 1 2.586 0.003 . 2 . . . A 79 ASP HB2 . 19726 1 829 . 1 1 79 79 ASP HB3 H 1 3.024 0.000 . 2 . . . A 79 ASP HB3 . 19726 1 830 . 1 1 79 79 ASP CA C 13 52.365 0.000 . 1 . . . A 79 ASP CA . 19726 1 831 . 1 1 79 79 ASP CB C 13 39.709 0.014 . 1 . . . A 79 ASP CB . 19726 1 832 . 1 1 79 79 ASP N N 15 121.414 0.001 . 1 . . . A 79 ASP N . 19726 1 833 . 1 1 80 80 LEU H H 1 8.482 0.003 . 1 . . . A 80 LEU H . 19726 1 834 . 1 1 80 80 LEU HA H 1 4.630 0.000 . 1 . . . A 80 LEU HA . 19726 1 835 . 1 1 80 80 LEU HB2 H 1 2.057 0.000 . 1 . . . A 80 LEU HB2 . 19726 1 836 . 1 1 80 80 LEU HB3 H 1 2.057 0.000 . 1 . . . A 80 LEU HB3 . 19726 1 837 . 1 1 80 80 LEU HD11 H 1 0.686 0.002 . 1 . . . A 80 LEU MD1 . 19726 1 838 . 1 1 80 80 LEU HD12 H 1 0.686 0.002 . 1 . . . A 80 LEU MD1 . 19726 1 839 . 1 1 80 80 LEU HD13 H 1 0.686 0.002 . 1 . . . A 80 LEU MD1 . 19726 1 840 . 1 1 80 80 LEU HD21 H 1 0.868 0.004 . 1 . . . A 80 LEU MD2 . 19726 1 841 . 1 1 80 80 LEU HD22 H 1 0.868 0.004 . 1 . . . A 80 LEU MD2 . 19726 1 842 . 1 1 80 80 LEU HD23 H 1 0.868 0.004 . 1 . . . A 80 LEU MD2 . 19726 1 843 . 1 1 80 80 LEU CA C 13 54.081 0.000 . 1 . . . A 80 LEU CA . 19726 1 844 . 1 1 80 80 LEU CB C 13 39.565 0.000 . 1 . . . A 80 LEU CB . 19726 1 845 . 1 1 80 80 LEU CD1 C 13 19.739 0.000 . 1 . . . A 80 LEU CD1 . 19726 1 846 . 1 1 80 80 LEU CD2 C 13 24.275 0.000 . 1 . . . A 80 LEU CD2 . 19726 1 847 . 1 1 80 80 LEU N N 15 122.979 0.007 . 1 . . . A 80 LEU N . 19726 1 848 . 1 1 81 81 HIS H H 1 9.203 0.000 . 1 . . . A 81 HIS H . 19726 1 849 . 1 1 81 81 HIS HA H 1 5.149 0.001 . 1 . . . A 81 HIS HA . 19726 1 850 . 1 1 81 81 HIS HB2 H 1 2.226 0.004 . 2 . . . A 81 HIS HB2 . 19726 1 851 . 1 1 81 81 HIS HB3 H 1 2.678 0.000 . 2 . . . A 81 HIS HB3 . 19726 1 852 . 1 1 81 81 HIS HD2 H 1 6.145 0.008 . 1 . . . A 81 HIS HD2 . 19726 1 853 . 1 1 81 81 HIS HE1 H 1 7.529 0.000 . 1 . . . A 81 HIS HE1 . 19726 1 854 . 1 1 81 81 HIS CA C 13 52.690 0.000 . 1 . . . A 81 HIS CA . 19726 1 855 . 1 1 81 81 HIS CB C 13 28.687 0.041 . 1 . . . A 81 HIS CB . 19726 1 856 . 1 1 81 81 HIS CD2 C 13 124.704 0.000 . 1 . . . A 81 HIS CD2 . 19726 1 857 . 1 1 81 81 HIS CE1 C 13 135.255 0.000 . 1 . . . A 81 HIS CE1 . 19726 1 858 . 1 1 81 81 HIS N N 15 123.752 0.000 . 1 . . . A 81 HIS N . 19726 1 859 . 1 1 82 82 VAL H H 1 9.069 0.002 . 1 . . . A 82 VAL H . 19726 1 860 . 1 1 82 82 VAL HA H 1 4.609 0.002 . 1 . . . A 82 VAL HA . 19726 1 861 . 1 1 82 82 VAL HB H 1 1.807 0.000 . 1 . . . A 82 VAL HB . 19726 1 862 . 1 1 82 82 VAL HG11 H 1 0.746 0.000 . 1 . . . A 82 VAL MG1 . 19726 1 863 . 1 1 82 82 VAL HG12 H 1 0.746 0.000 . 1 . . . A 82 VAL MG1 . 19726 1 864 . 1 1 82 82 VAL HG13 H 1 0.746 0.000 . 1 . . . A 82 VAL MG1 . 19726 1 865 . 1 1 82 82 VAL HG21 H 1 0.697 0.000 . 1 . . . A 82 VAL MG2 . 19726 1 866 . 1 1 82 82 VAL HG22 H 1 0.697 0.000 . 1 . . . A 82 VAL MG2 . 19726 1 867 . 1 1 82 82 VAL HG23 H 1 0.697 0.000 . 1 . . . A 82 VAL MG2 . 19726 1 868 . 1 1 82 82 VAL CA C 13 57.835 0.000 . 1 . . . A 82 VAL CA . 19726 1 869 . 1 1 82 82 VAL CG1 C 13 19.565 0.000 . 1 . . . A 82 VAL CG1 . 19726 1 870 . 1 1 82 82 VAL CG2 C 13 18.841 0.010 . 1 . . . A 82 VAL CG2 . 19726 1 871 . 1 1 82 82 VAL N N 15 118.465 0.006 . 1 . . . A 82 VAL N . 19726 1 872 . 1 1 83 83 LEU H H 1 9.537 0.001 . 1 . . . A 83 LEU H . 19726 1 873 . 1 1 83 83 LEU HA H 1 5.139 0.004 . 1 . . . A 83 LEU HA . 19726 1 874 . 1 1 83 83 LEU HB2 H 1 1.513 0.002 . 2 . . . A 83 LEU HB2 . 19726 1 875 . 1 1 83 83 LEU HB3 H 1 1.611 0.002 . 2 . . . A 83 LEU HB3 . 19726 1 876 . 1 1 83 83 LEU HG H 1 1.510 0.000 . 1 . . . A 83 LEU HG . 19726 1 877 . 1 1 83 83 LEU HD11 H 1 0.879 0.001 . 2 . . . A 83 LEU MD1 . 19726 1 878 . 1 1 83 83 LEU HD12 H 1 0.879 0.001 . 2 . . . A 83 LEU MD1 . 19726 1 879 . 1 1 83 83 LEU HD13 H 1 0.879 0.001 . 2 . . . A 83 LEU MD1 . 19726 1 880 . 1 1 83 83 LEU HD21 H 1 0.848 0.008 . 2 . . . A 83 LEU MD2 . 19726 1 881 . 1 1 83 83 LEU HD22 H 1 0.848 0.008 . 2 . . . A 83 LEU MD2 . 19726 1 882 . 1 1 83 83 LEU HD23 H 1 0.848 0.008 . 2 . . . A 83 LEU MD2 . 19726 1 883 . 1 1 83 83 LEU CB C 13 42.009 0.005 . 1 . . . A 83 LEU CB . 19726 1 884 . 1 1 83 83 LEU CG C 13 24.259 0.000 . 1 . . . A 83 LEU CG . 19726 1 885 . 1 1 83 83 LEU CD1 C 13 22.575 0.024 . 2 . . . A 83 LEU CD1 . 19726 1 886 . 1 1 83 83 LEU CD2 C 13 21.550 0.005 . 2 . . . A 83 LEU CD2 . 19726 1 887 . 1 1 83 83 LEU N N 15 127.820 0.011 . 1 . . . A 83 LEU N . 19726 1 888 . 1 1 84 84 VAL H H 1 8.849 0.001 . 1 . . . A 84 VAL H . 19726 1 889 . 1 1 84 84 VAL HA H 1 4.855 0.006 . 1 . . . A 84 VAL HA . 19726 1 890 . 1 1 84 84 VAL HB H 1 1.809 0.011 . 1 . . . A 84 VAL HB . 19726 1 891 . 1 1 84 84 VAL HG11 H 1 0.742 0.000 . 1 . . . A 84 VAL MG1 . 19726 1 892 . 1 1 84 84 VAL HG12 H 1 0.742 0.000 . 1 . . . A 84 VAL MG1 . 19726 1 893 . 1 1 84 84 VAL HG13 H 1 0.742 0.000 . 1 . . . A 84 VAL MG1 . 19726 1 894 . 1 1 84 84 VAL HG21 H 1 0.761 0.000 . 1 . . . A 84 VAL MG2 . 19726 1 895 . 1 1 84 84 VAL HG22 H 1 0.761 0.000 . 1 . . . A 84 VAL MG2 . 19726 1 896 . 1 1 84 84 VAL HG23 H 1 0.761 0.000 . 1 . . . A 84 VAL MG2 . 19726 1 897 . 1 1 84 84 VAL CA C 13 58.076 0.023 . 1 . . . A 84 VAL CA . 19726 1 898 . 1 1 84 84 VAL CG1 C 13 19.779 0.000 . 1 . . . A 84 VAL CG1 . 19726 1 899 . 1 1 84 84 VAL CG2 C 13 18.730 0.025 . 1 . . . A 84 VAL CG2 . 19726 1 900 . 1 1 84 84 VAL N N 15 124.227 0.033 . 1 . . . A 84 VAL N . 19726 1 901 . 1 1 85 85 GLN H H 1 8.982 0.003 . 1 . . . A 85 GLN H . 19726 1 902 . 1 1 85 85 GLN HA H 1 5.404 0.002 . 1 . . . A 85 GLN HA . 19726 1 903 . 1 1 85 85 GLN HB2 H 1 1.639 0.005 . 1 . . . A 85 GLN HB2 . 19726 1 904 . 1 1 85 85 GLN HB3 H 1 1.639 0.005 . 1 . . . A 85 GLN HB3 . 19726 1 905 . 1 1 85 85 GLN HG2 H 1 2.163 0.002 . 2 . . . A 85 GLN HG2 . 19726 1 906 . 1 1 85 85 GLN HG3 H 1 2.023 0.001 . 2 . . . A 85 GLN HG3 . 19726 1 907 . 1 1 85 85 GLN HE21 H 1 7.098 0.000 . 2 . . . A 85 GLN HE21 . 19726 1 908 . 1 1 85 85 GLN HE22 H 1 6.544 0.000 . 2 . . . A 85 GLN HE22 . 19726 1 909 . 1 1 85 85 GLN CA C 13 51.082 0.000 . 1 . . . A 85 GLN CA . 19726 1 910 . 1 1 85 85 GLN CB C 13 30.449 0.000 . 1 . . . A 85 GLN CB . 19726 1 911 . 1 1 85 85 GLN CG C 13 31.000 0.013 . 1 . . . A 85 GLN CG . 19726 1 912 . 1 1 85 85 GLN N N 15 126.897 0.010 . 1 . . . A 85 GLN N . 19726 1 913 . 1 1 85 85 GLN NE2 N 15 109.898 0.004 . 1 . . . A 85 GLN NE2 . 19726 1 914 . 1 1 86 86 CYS H H 1 8.965 0.014 . 1 . . . A 86 CYS H . 19726 1 915 . 1 1 86 86 CYS HA H 1 4.689 0.000 . 1 . . . A 86 CYS HA . 19726 1 916 . 1 1 86 86 CYS HB2 H 1 2.445 0.004 . 2 . . . A 86 CYS HB2 . 19726 1 917 . 1 1 86 86 CYS HB3 H 1 3.037 0.002 . 2 . . . A 86 CYS HB3 . 19726 1 918 . 1 1 86 86 CYS CB C 13 28.581 0.007 . 1 . . . A 86 CYS CB . 19726 1 919 . 1 1 86 86 CYS N N 15 125.882 0.028 . 1 . . . A 86 CYS N . 19726 1 920 . 1 1 87 87 GLU H H 1 8.419 0.001 . 1 . . . A 87 GLU H . 19726 1 921 . 1 1 87 87 GLU HA H 1 5.693 0.004 . 1 . . . A 87 GLU HA . 19726 1 922 . 1 1 87 87 GLU HB2 H 1 1.776 0.000 . 2 . . . A 87 GLU HB2 . 19726 1 923 . 1 1 87 87 GLU HB3 H 1 1.966 0.000 . 2 . . . A 87 GLU HB3 . 19726 1 924 . 1 1 87 87 GLU HG2 H 1 2.030 0.002 . 1 . . . A 87 GLU HG2 . 19726 1 925 . 1 1 87 87 GLU HG3 H 1 2.030 0.002 . 1 . . . A 87 GLU HG3 . 19726 1 926 . 1 1 87 87 GLU CA C 13 51.662 0.000 . 1 . . . A 87 GLU CA . 19726 1 927 . 1 1 87 87 GLU CB C 13 29.476 0.003 . 1 . . . A 87 GLU CB . 19726 1 928 . 1 1 87 87 GLU CG C 13 33.853 0.019 . 1 . . . A 87 GLU CG . 19726 1 929 . 1 1 87 87 GLU N N 15 128.541 0.004 . 1 . . . A 87 GLU N . 19726 1 930 . 1 1 88 88 ASP H H 1 8.868 0.005 . 1 . . . A 88 ASP H . 19726 1 931 . 1 1 88 88 ASP HA H 1 4.723 0.000 . 1 . . . A 88 ASP HA . 19726 1 932 . 1 1 88 88 ASP HB2 H 1 2.438 0.006 . 2 . . . A 88 ASP HB2 . 19726 1 933 . 1 1 88 88 ASP HB3 H 1 2.779 0.001 . 2 . . . A 88 ASP HB3 . 19726 1 934 . 1 1 88 88 ASP CB C 13 40.341 0.000 . 1 . . . A 88 ASP CB . 19726 1 935 . 1 1 88 88 ASP N N 15 124.692 0.016 . 1 . . . A 88 ASP N . 19726 1 936 . 1 1 89 89 THR H H 1 10.519 0.002 . 1 . . . A 89 THR H . 19726 1 937 . 1 1 89 89 THR HA H 1 4.723 0.000 . 1 . . . A 89 THR HA . 19726 1 938 . 1 1 89 89 THR HB H 1 4.631 0.001 . 1 . . . A 89 THR HB . 19726 1 939 . 1 1 89 89 THR HG21 H 1 1.087 0.001 . 1 . . . A 89 THR MG . 19726 1 940 . 1 1 89 89 THR HG22 H 1 1.087 0.001 . 1 . . . A 89 THR MG . 19726 1 941 . 1 1 89 89 THR HG23 H 1 1.087 0.001 . 1 . . . A 89 THR MG . 19726 1 942 . 1 1 89 89 THR CB C 13 67.165 0.000 . 1 . . . A 89 THR CB . 19726 1 943 . 1 1 89 89 THR CG2 C 13 20.883 0.000 . 1 . . . A 89 THR CG2 . 19726 1 944 . 1 1 89 89 THR N N 15 112.725 0.006 . 1 . . . A 89 THR N . 19726 1 945 . 1 1 90 90 GLU H H 1 9.108 0.002 . 1 . . . A 90 GLU H . 19726 1 946 . 1 1 90 90 GLU HA H 1 3.999 0.001 . 1 . . . A 90 GLU HA . 19726 1 947 . 1 1 90 90 GLU HB2 H 1 2.234 0.002 . 2 . . . A 90 GLU HB2 . 19726 1 948 . 1 1 90 90 GLU HB3 H 1 2.285 0.001 . 2 . . . A 90 GLU HB3 . 19726 1 949 . 1 1 90 90 GLU HG2 H 1 2.464 0.000 . 1 . . . A 90 GLU HG2 . 19726 1 950 . 1 1 90 90 GLU HG3 H 1 2.464 0.000 . 1 . . . A 90 GLU HG3 . 19726 1 951 . 1 1 90 90 GLU CA C 13 57.597 0.000 . 1 . . . A 90 GLU CA . 19726 1 952 . 1 1 90 90 GLU CB C 13 27.567 0.018 . 1 . . . A 90 GLU CB . 19726 1 953 . 1 1 90 90 GLU CG C 13 33.658 0.000 . 1 . . . A 90 GLU CG . 19726 1 954 . 1 1 90 90 GLU N N 15 122.988 0.008 . 1 . . . A 90 GLU N . 19726 1 955 . 1 1 91 91 ASN H H 1 8.281 0.001 . 1 . . . A 91 ASN H . 19726 1 956 . 1 1 91 91 ASN HA H 1 4.562 0.002 . 1 . . . A 91 ASN HA . 19726 1 957 . 1 1 91 91 ASN HB2 H 1 2.957 0.004 . 2 . . . A 91 ASN HB2 . 19726 1 958 . 1 1 91 91 ASN HB3 H 1 3.088 0.003 . 2 . . . A 91 ASN HB3 . 19726 1 959 . 1 1 91 91 ASN HD21 H 1 7.425 0.001 . 2 . . . A 91 ASN HD21 . 19726 1 960 . 1 1 91 91 ASN HD22 H 1 7.797 0.001 . 2 . . . A 91 ASN HD22 . 19726 1 961 . 1 1 91 91 ASN CA C 13 51.484 0.013 . 1 . . . A 91 ASN CA . 19726 1 962 . 1 1 91 91 ASN CB C 13 34.389 0.029 . 1 . . . A 91 ASN CB . 19726 1 963 . 1 1 91 91 ASN N N 15 113.320 0.010 . 1 . . . A 91 ASN N . 19726 1 964 . 1 1 91 91 ASN ND2 N 15 113.773 0.013 . 1 . . . A 91 ASN ND2 . 19726 1 965 . 1 1 92 92 ARG H H 1 7.847 0.004 . 1 . . . A 92 ARG H . 19726 1 966 . 1 1 92 92 ARG HA H 1 4.393 0.002 . 1 . . . A 92 ARG HA . 19726 1 967 . 1 1 92 92 ARG HE H 1 8.517 0.000 . 1 . . . A 92 ARG HE . 19726 1 968 . 1 1 92 92 ARG CA C 13 54.707 0.000 . 1 . . . A 92 ARG CA . 19726 1 969 . 1 1 92 92 ARG N N 15 118.847 0.016 . 1 . . . A 92 ARG N . 19726 1 970 . 1 1 92 92 ARG NE N 15 84.742 0.000 . 1 . . . A 92 ARG NE . 19726 1 971 . 1 1 93 93 VAL H H 1 8.353 0.001 . 1 . . . A 93 VAL H . 19726 1 972 . 1 1 93 93 VAL HA H 1 3.697 0.002 . 1 . . . A 93 VAL HA . 19726 1 973 . 1 1 93 93 VAL HB H 1 1.816 0.001 . 1 . . . A 93 VAL HB . 19726 1 974 . 1 1 93 93 VAL HG11 H 1 0.544 0.002 . 1 . . . A 93 VAL MG1 . 19726 1 975 . 1 1 93 93 VAL HG12 H 1 0.544 0.002 . 1 . . . A 93 VAL MG1 . 19726 1 976 . 1 1 93 93 VAL HG13 H 1 0.544 0.002 . 1 . . . A 93 VAL MG1 . 19726 1 977 . 1 1 93 93 VAL HG21 H 1 0.792 0.002 . 1 . . . A 93 VAL MG2 . 19726 1 978 . 1 1 93 93 VAL HG22 H 1 0.792 0.002 . 1 . . . A 93 VAL MG2 . 19726 1 979 . 1 1 93 93 VAL HG23 H 1 0.792 0.002 . 1 . . . A 93 VAL MG2 . 19726 1 980 . 1 1 93 93 VAL CA C 13 63.027 0.000 . 1 . . . A 93 VAL CA . 19726 1 981 . 1 1 93 93 VAL CB C 13 28.764 0.000 . 1 . . . A 93 VAL CB . 19726 1 982 . 1 1 93 93 VAL CG1 C 13 17.123 0.013 . 1 . . . A 93 VAL CG1 . 19726 1 983 . 1 1 93 93 VAL CG2 C 13 19.392 0.000 . 1 . . . A 93 VAL CG2 . 19726 1 984 . 1 1 93 93 VAL N N 15 118.440 0.002 . 1 . . . A 93 VAL N . 19726 1 985 . 1 1 94 94 HIS H H 1 8.090 0.001 . 1 . . . A 94 HIS H . 19726 1 986 . 1 1 94 94 HIS HA H 1 4.285 0.000 . 1 . . . A 94 HIS HA . 19726 1 987 . 1 1 94 94 HIS HB2 H 1 3.205 0.004 . 1 . . . A 94 HIS HB2 . 19726 1 988 . 1 1 94 94 HIS HB3 H 1 3.205 0.004 . 1 . . . A 94 HIS HB3 . 19726 1 989 . 1 1 94 94 HIS HD2 H 1 7.448 0.005 . 1 . . . A 94 HIS HD2 . 19726 1 990 . 1 1 94 94 HIS HE1 H 1 8.223 0.000 . 1 . . . A 94 HIS HE1 . 19726 1 991 . 1 1 94 94 HIS CA C 13 56.820 0.000 . 1 . . . A 94 HIS CA . 19726 1 992 . 1 1 94 94 HIS CB C 13 25.934 0.000 . 1 . . . A 94 HIS CB . 19726 1 993 . 1 1 94 94 HIS CD2 C 13 118.033 0.000 . 1 . . . A 94 HIS CD2 . 19726 1 994 . 1 1 94 94 HIS CE1 C 13 134.926 0.000 . 1 . . . A 94 HIS CE1 . 19726 1 995 . 1 1 94 94 HIS N N 15 119.101 0.011 . 1 . . . A 94 HIS N . 19726 1 996 . 1 1 95 95 ILE H H 1 7.320 0.003 . 1 . . . A 95 ILE H . 19726 1 997 . 1 1 95 95 ILE HA H 1 3.738 0.001 . 1 . . . A 95 ILE HA . 19726 1 998 . 1 1 95 95 ILE HB H 1 1.805 0.003 . 1 . . . A 95 ILE HB . 19726 1 999 . 1 1 95 95 ILE HG12 H 1 1.119 0.001 . 2 . . . A 95 ILE HG12 . 19726 1 1000 . 1 1 95 95 ILE HG13 H 1 1.636 0.001 . 2 . . . A 95 ILE HG13 . 19726 1 1001 . 1 1 95 95 ILE HG21 H 1 0.944 0.000 . 1 . . . A 95 ILE MG . 19726 1 1002 . 1 1 95 95 ILE HG22 H 1 0.944 0.000 . 1 . . . A 95 ILE MG . 19726 1 1003 . 1 1 95 95 ILE HG23 H 1 0.944 0.000 . 1 . . . A 95 ILE MG . 19726 1 1004 . 1 1 95 95 ILE HD11 H 1 1.006 0.000 . 1 . . . A 95 ILE MD . 19726 1 1005 . 1 1 95 95 ILE HD12 H 1 1.006 0.000 . 1 . . . A 95 ILE MD . 19726 1 1006 . 1 1 95 95 ILE HD13 H 1 1.006 0.000 . 1 . . . A 95 ILE MD . 19726 1 1007 . 1 1 95 95 ILE CA C 13 61.959 0.000 . 1 . . . A 95 ILE CA . 19726 1 1008 . 1 1 95 95 ILE CB C 13 35.986 0.000 . 1 . . . A 95 ILE CB . 19726 1 1009 . 1 1 95 95 ILE CG1 C 13 25.761 0.028 . 1 . . . A 95 ILE CG1 . 19726 1 1010 . 1 1 95 95 ILE CG2 C 13 15.140 0.000 . 1 . . . A 95 ILE CG2 . 19726 1 1011 . 1 1 95 95 ILE CD1 C 13 10.914 0.000 . 1 . . . A 95 ILE CD1 . 19726 1 1012 . 1 1 95 95 ILE N N 15 121.103 0.006 . 1 . . . A 95 ILE N . 19726 1 1013 . 1 1 96 96 LYS H H 1 7.804 0.007 . 1 . . . A 96 LYS H . 19726 1 1014 . 1 1 96 96 LYS HA H 1 4.010 0.000 . 1 . . . A 96 LYS HA . 19726 1 1015 . 1 1 96 96 LYS HB2 H 1 1.823 0.009 . 1 . . . A 96 LYS HB2 . 19726 1 1016 . 1 1 96 96 LYS HB3 H 1 1.823 0.009 . 1 . . . A 96 LYS HB3 . 19726 1 1017 . 1 1 96 96 LYS HG2 H 1 1.628 0.000 . 1 . . . A 96 LYS HG2 . 19726 1 1018 . 1 1 96 96 LYS HG3 H 1 1.628 0.000 . 1 . . . A 96 LYS HG3 . 19726 1 1019 . 1 1 96 96 LYS CA C 13 57.206 0.000 . 1 . . . A 96 LYS CA . 19726 1 1020 . 1 1 96 96 LYS CB C 13 31.015 0.000 . 1 . . . A 96 LYS CB . 19726 1 1021 . 1 1 96 96 LYS N N 15 120.504 0.005 . 1 . . . A 96 LYS N . 19726 1 1022 . 1 1 97 97 LEU H H 1 8.192 0.005 . 1 . . . A 97 LEU H . 19726 1 1023 . 1 1 97 97 LEU HA H 1 4.102 0.005 . 1 . . . A 97 LEU HA . 19726 1 1024 . 1 1 97 97 LEU HB2 H 1 1.756 0.000 . 2 . . . A 97 LEU HB2 . 19726 1 1025 . 1 1 97 97 LEU HB3 H 1 1.635 0.003 . 2 . . . A 97 LEU HB3 . 19726 1 1026 . 1 1 97 97 LEU HD11 H 1 0.800 0.001 . 2 . . . A 97 LEU MD1 . 19726 1 1027 . 1 1 97 97 LEU HD12 H 1 0.800 0.001 . 2 . . . A 97 LEU MD1 . 19726 1 1028 . 1 1 97 97 LEU HD13 H 1 0.800 0.001 . 2 . . . A 97 LEU MD1 . 19726 1 1029 . 1 1 97 97 LEU HD21 H 1 0.863 0.000 . 2 . . . A 97 LEU MD2 . 19726 1 1030 . 1 1 97 97 LEU HD22 H 1 0.863 0.000 . 2 . . . A 97 LEU MD2 . 19726 1 1031 . 1 1 97 97 LEU HD23 H 1 0.863 0.000 . 2 . . . A 97 LEU MD2 . 19726 1 1032 . 1 1 97 97 LEU CA C 13 55.616 0.000 . 1 . . . A 97 LEU CA . 19726 1 1033 . 1 1 97 97 LEU CB C 13 39.739 0.069 . 1 . . . A 97 LEU CB . 19726 1 1034 . 1 1 97 97 LEU CD1 C 13 22.089 0.000 . 2 . . . A 97 LEU CD1 . 19726 1 1035 . 1 1 97 97 LEU CD2 C 13 23.288 0.018 . 2 . . . A 97 LEU CD2 . 19726 1 1036 . 1 1 97 97 LEU N N 15 119.933 0.012 . 1 . . . A 97 LEU N . 19726 1 1037 . 1 1 98 98 GLN H H 1 8.014 0.003 . 1 . . . A 98 GLN H . 19726 1 1038 . 1 1 98 98 GLN HA H 1 3.929 0.002 . 1 . . . A 98 GLN HA . 19726 1 1039 . 1 1 98 98 GLN HB2 H 1 2.167 0.001 . 2 . . . A 98 GLN HB2 . 19726 1 1040 . 1 1 98 98 GLN HB3 H 1 2.228 0.001 . 2 . . . A 98 GLN HB3 . 19726 1 1041 . 1 1 98 98 GLN HG2 H 1 2.516 0.001 . 1 . . . A 98 GLN HG2 . 19726 1 1042 . 1 1 98 98 GLN HG3 H 1 2.516 0.001 . 1 . . . A 98 GLN HG3 . 19726 1 1043 . 1 1 98 98 GLN HE21 H 1 6.818 0.000 . 2 . . . A 98 GLN HE21 . 19726 1 1044 . 1 1 98 98 GLN HE22 H 1 7.568 0.000 . 2 . . . A 98 GLN HE22 . 19726 1 1045 . 1 1 98 98 GLN CA C 13 56.535 0.000 . 1 . . . A 98 GLN CA . 19726 1 1046 . 1 1 98 98 GLN CB C 13 25.256 0.001 . 1 . . . A 98 GLN CB . 19726 1 1047 . 1 1 98 98 GLN CG C 13 31.116 0.000 . 1 . . . A 98 GLN CG . 19726 1 1048 . 1 1 98 98 GLN N N 15 116.950 0.000 . 1 . . . A 98 GLN N . 19726 1 1049 . 1 1 98 98 GLN NE2 N 15 112.230 0.004 . 1 . . . A 98 GLN NE2 . 19726 1 1050 . 1 1 99 99 ALA H H 1 7.565 0.005 . 1 . . . A 99 ALA H . 19726 1 1051 . 1 1 99 99 ALA HA H 1 4.232 0.002 . 1 . . . A 99 ALA HA . 19726 1 1052 . 1 1 99 99 ALA HB1 H 1 1.549 0.002 . 1 . . . A 99 ALA MB . 19726 1 1053 . 1 1 99 99 ALA HB2 H 1 1.549 0.002 . 1 . . . A 99 ALA MB . 19726 1 1054 . 1 1 99 99 ALA HB3 H 1 1.549 0.002 . 1 . . . A 99 ALA MB . 19726 1 1055 . 1 1 99 99 ALA CA C 13 52.279 0.000 . 1 . . . A 99 ALA CA . 19726 1 1056 . 1 1 99 99 ALA CB C 13 15.245 0.000 . 1 . . . A 99 ALA CB . 19726 1 1057 . 1 1 99 99 ALA N N 15 120.597 0.006 . 1 . . . A 99 ALA N . 19726 1 1058 . 1 1 100 100 ALA H H 1 7.873 0.004 . 1 . . . A 100 ALA H . 19726 1 1059 . 1 1 100 100 ALA HA H 1 4.073 0.003 . 1 . . . A 100 ALA HA . 19726 1 1060 . 1 1 100 100 ALA HB1 H 1 1.563 0.003 . 1 . . . A 100 ALA MB . 19726 1 1061 . 1 1 100 100 ALA HB2 H 1 1.563 0.003 . 1 . . . A 100 ALA MB . 19726 1 1062 . 1 1 100 100 ALA HB3 H 1 1.563 0.003 . 1 . . . A 100 ALA MB . 19726 1 1063 . 1 1 100 100 ALA CA C 13 53.013 0.000 . 1 . . . A 100 ALA CA . 19726 1 1064 . 1 1 100 100 ALA CB C 13 17.471 0.000 . 1 . . . A 100 ALA CB . 19726 1 1065 . 1 1 100 100 ALA N N 15 121.033 0.000 . 1 . . . A 100 ALA N . 19726 1 1066 . 1 1 101 101 LEU H H 1 8.913 0.003 . 1 . . . A 101 LEU H . 19726 1 1067 . 1 1 101 101 LEU HA H 1 3.811 0.001 . 1 . . . A 101 LEU HA . 19726 1 1068 . 1 1 101 101 LEU HB2 H 1 1.440 0.002 . 2 . . . A 101 LEU HB2 . 19726 1 1069 . 1 1 101 101 LEU HB3 H 1 1.961 0.002 . 2 . . . A 101 LEU HB3 . 19726 1 1070 . 1 1 101 101 LEU HG H 1 1.812 0.000 . 1 . . . A 101 LEU HG . 19726 1 1071 . 1 1 101 101 LEU HD11 H 1 0.821 0.000 . 2 . . . A 101 LEU MD1 . 19726 1 1072 . 1 1 101 101 LEU HD12 H 1 0.821 0.000 . 2 . . . A 101 LEU MD1 . 19726 1 1073 . 1 1 101 101 LEU HD13 H 1 0.821 0.000 . 2 . . . A 101 LEU MD1 . 19726 1 1074 . 1 1 101 101 LEU HD21 H 1 0.761 0.000 . 2 . . . A 101 LEU MD2 . 19726 1 1075 . 1 1 101 101 LEU HD22 H 1 0.761 0.000 . 2 . . . A 101 LEU MD2 . 19726 1 1076 . 1 1 101 101 LEU HD23 H 1 0.761 0.000 . 2 . . . A 101 LEU MD2 . 19726 1 1077 . 1 1 101 101 LEU CA C 13 55.744 0.000 . 1 . . . A 101 LEU CA . 19726 1 1078 . 1 1 101 101 LEU CB C 13 38.901 0.001 . 1 . . . A 101 LEU CB . 19726 1 1079 . 1 1 101 101 LEU CD1 C 13 22.665 0.000 . 2 . . . A 101 LEU CD1 . 19726 1 1080 . 1 1 101 101 LEU CD2 C 13 20.479 0.000 . 2 . . . A 101 LEU CD2 . 19726 1 1081 . 1 1 101 101 LEU N N 15 118.354 0.004 . 1 . . . A 101 LEU N . 19726 1 1082 . 1 1 102 102 GLU H H 1 7.982 0.002 . 1 . . . A 102 GLU H . 19726 1 1083 . 1 1 102 102 GLU HA H 1 3.962 0.003 . 1 . . . A 102 GLU HA . 19726 1 1084 . 1 1 102 102 GLU HB2 H 1 2.101 0.000 . 2 . . . A 102 GLU HB2 . 19726 1 1085 . 1 1 102 102 GLU HB3 H 1 2.176 0.000 . 2 . . . A 102 GLU HB3 . 19726 1 1086 . 1 1 102 102 GLU HG2 H 1 2.439 0.005 . 2 . . . A 102 GLU HG2 . 19726 1 1087 . 1 1 102 102 GLU HG3 H 1 2.362 0.004 . 2 . . . A 102 GLU HG3 . 19726 1 1088 . 1 1 102 102 GLU CA C 13 56.782 0.046 . 1 . . . A 102 GLU CA . 19726 1 1089 . 1 1 102 102 GLU CB C 13 26.745 0.023 . 1 . . . A 102 GLU CB . 19726 1 1090 . 1 1 102 102 GLU CG C 13 33.605 0.002 . 1 . . . A 102 GLU CG . 19726 1 1091 . 1 1 102 102 GLU N N 15 116.959 0.007 . 1 . . . A 102 GLU N . 19726 1 1092 . 1 1 103 103 GLN H H 1 7.362 0.004 . 1 . . . A 103 GLN H . 19726 1 1093 . 1 1 103 103 GLN HA H 1 4.073 0.001 . 1 . . . A 103 GLN HA . 19726 1 1094 . 1 1 103 103 GLN HB2 H 1 2.130 0.000 . 1 . . . A 103 GLN HB2 . 19726 1 1095 . 1 1 103 103 GLN HB3 H 1 2.130 0.000 . 1 . . . A 103 GLN HB3 . 19726 1 1096 . 1 1 103 103 GLN HG2 H 1 2.473 0.001 . 1 . . . A 103 GLN HG2 . 19726 1 1097 . 1 1 103 103 GLN HG3 H 1 2.473 0.001 . 1 . . . A 103 GLN HG3 . 19726 1 1098 . 1 1 103 103 GLN HE21 H 1 6.883 0.000 . 2 . . . A 103 GLN HE21 . 19726 1 1099 . 1 1 103 103 GLN HE22 H 1 7.352 0.000 . 2 . . . A 103 GLN HE22 . 19726 1 1100 . 1 1 103 103 GLN CA C 13 56.281 0.000 . 1 . . . A 103 GLN CA . 19726 1 1101 . 1 1 103 103 GLN CG C 13 31.186 0.022 . 1 . . . A 103 GLN CG . 19726 1 1102 . 1 1 103 103 GLN N N 15 116.810 0.007 . 1 . . . A 103 GLN N . 19726 1 1103 . 1 1 103 103 GLN NE2 N 15 112.070 0.004 . 1 . . . A 103 GLN NE2 . 19726 1 1104 . 1 1 104 104 VAL H H 1 8.416 0.006 . 1 . . . A 104 VAL H . 19726 1 1105 . 1 1 104 104 VAL HA H 1 3.473 0.001 . 1 . . . A 104 VAL HA . 19726 1 1106 . 1 1 104 104 VAL HB H 1 2.022 0.000 . 1 . . . A 104 VAL HB . 19726 1 1107 . 1 1 104 104 VAL HG11 H 1 0.757 0.000 . 1 . . . A 104 VAL MG1 . 19726 1 1108 . 1 1 104 104 VAL HG12 H 1 0.757 0.000 . 1 . . . A 104 VAL MG1 . 19726 1 1109 . 1 1 104 104 VAL HG13 H 1 0.757 0.000 . 1 . . . A 104 VAL MG1 . 19726 1 1110 . 1 1 104 104 VAL HG21 H 1 0.921 0.000 . 1 . . . A 104 VAL MG2 . 19726 1 1111 . 1 1 104 104 VAL HG22 H 1 0.921 0.000 . 1 . . . A 104 VAL MG2 . 19726 1 1112 . 1 1 104 104 VAL HG23 H 1 0.921 0.000 . 1 . . . A 104 VAL MG2 . 19726 1 1113 . 1 1 104 104 VAL CA C 13 64.317 0.000 . 1 . . . A 104 VAL CA . 19726 1 1114 . 1 1 104 104 VAL CB C 13 28.926 0.000 . 1 . . . A 104 VAL CB . 19726 1 1115 . 1 1 104 104 VAL CG1 C 13 19.215 0.000 . 1 . . . A 104 VAL CG1 . 19726 1 1116 . 1 1 104 104 VAL CG2 C 13 20.464 0.000 . 1 . . . A 104 VAL CG2 . 19726 1 1117 . 1 1 104 104 VAL N N 15 119.803 0.013 . 1 . . . A 104 VAL N . 19726 1 1118 . 1 1 105 105 LYS H H 1 8.618 0.001 . 1 . . . A 105 LYS H . 19726 1 1119 . 1 1 105 105 LYS HA H 1 3.733 0.002 . 1 . . . A 105 LYS HA . 19726 1 1120 . 1 1 105 105 LYS HB2 H 1 1.851 0.001 . 1 . . . A 105 LYS HB2 . 19726 1 1121 . 1 1 105 105 LYS HB3 H 1 1.851 0.001 . 1 . . . A 105 LYS HB3 . 19726 1 1122 . 1 1 105 105 LYS HG2 H 1 1.420 0.003 . 1 . . . A 105 LYS HG2 . 19726 1 1123 . 1 1 105 105 LYS HG3 H 1 1.420 0.003 . 1 . . . A 105 LYS HG3 . 19726 1 1124 . 1 1 105 105 LYS HD2 H 1 1.650 0.004 . 1 . . . A 105 LYS HD2 . 19726 1 1125 . 1 1 105 105 LYS HD3 H 1 1.650 0.004 . 1 . . . A 105 LYS HD3 . 19726 1 1126 . 1 1 105 105 LYS HE2 H 1 2.812 0.000 . 2 . . . A 105 LYS HE2 . 19726 1 1127 . 1 1 105 105 LYS HE3 H 1 2.906 0.000 . 2 . . . A 105 LYS HE3 . 19726 1 1128 . 1 1 105 105 LYS CA C 13 58.077 0.000 . 1 . . . A 105 LYS CA . 19726 1 1129 . 1 1 105 105 LYS CB C 13 29.544 0.000 . 1 . . . A 105 LYS CB . 19726 1 1130 . 1 1 105 105 LYS CG C 13 24.204 0.000 . 1 . . . A 105 LYS CG . 19726 1 1131 . 1 1 105 105 LYS CD C 13 27.025 0.000 . 1 . . . A 105 LYS CD . 19726 1 1132 . 1 1 105 105 LYS CE C 13 39.412 0.000 . 1 . . . A 105 LYS CE . 19726 1 1133 . 1 1 105 105 LYS N N 15 117.554 0.010 . 1 . . . A 105 LYS N . 19726 1 1134 . 1 1 106 106 LYS H H 1 7.196 0.006 . 1 . . . A 106 LYS H . 19726 1 1135 . 1 1 106 106 LYS HA H 1 4.040 0.002 . 1 . . . A 106 LYS HA . 19726 1 1136 . 1 1 106 106 LYS HB2 H 1 1.913 0.001 . 1 . . . A 106 LYS HB2 . 19726 1 1137 . 1 1 106 106 LYS HB3 H 1 1.913 0.001 . 1 . . . A 106 LYS HB3 . 19726 1 1138 . 1 1 106 106 LYS HG2 H 1 1.672 0.003 . 1 . . . A 106 LYS HG2 . 19726 1 1139 . 1 1 106 106 LYS HG3 H 1 1.672 0.003 . 1 . . . A 106 LYS HG3 . 19726 1 1140 . 1 1 106 106 LYS HD2 H 1 1.496 0.000 . 1 . . . A 106 LYS HD2 . 19726 1 1141 . 1 1 106 106 LYS HD3 H 1 1.496 0.000 . 1 . . . A 106 LYS HD3 . 19726 1 1142 . 1 1 106 106 LYS CA C 13 56.469 0.000 . 1 . . . A 106 LYS CA . 19726 1 1143 . 1 1 106 106 LYS CB C 13 29.910 0.000 . 1 . . . A 106 LYS CB . 19726 1 1144 . 1 1 106 106 LYS CG C 13 22.733 0.000 . 1 . . . A 106 LYS CG . 19726 1 1145 . 1 1 106 106 LYS N N 15 116.590 0.004 . 1 . . . A 106 LYS N . 19726 1 1146 . 1 1 107 107 LEU H H 1 7.470 0.004 . 1 . . . A 107 LEU H . 19726 1 1147 . 1 1 107 107 LEU HA H 1 4.257 0.003 . 1 . . . A 107 LEU HA . 19726 1 1148 . 1 1 107 107 LEU HB2 H 1 1.483 0.004 . 2 . . . A 107 LEU HB2 . 19726 1 1149 . 1 1 107 107 LEU HB3 H 1 1.945 0.019 . 2 . . . A 107 LEU HB3 . 19726 1 1150 . 1 1 107 107 LEU HG H 1 1.804 0.003 . 1 . . . A 107 LEU HG . 19726 1 1151 . 1 1 107 107 LEU HD11 H 1 0.818 0.021 . 1 . . . A 107 LEU MD1 . 19726 1 1152 . 1 1 107 107 LEU HD12 H 1 0.818 0.021 . 1 . . . A 107 LEU MD1 . 19726 1 1153 . 1 1 107 107 LEU HD13 H 1 0.818 0.021 . 1 . . . A 107 LEU MD1 . 19726 1 1154 . 1 1 107 107 LEU HD21 H 1 0.792 0.000 . 1 . . . A 107 LEU MD2 . 19726 1 1155 . 1 1 107 107 LEU HD22 H 1 0.792 0.000 . 1 . . . A 107 LEU MD2 . 19726 1 1156 . 1 1 107 107 LEU HD23 H 1 0.792 0.000 . 1 . . . A 107 LEU MD2 . 19726 1 1157 . 1 1 107 107 LEU CA C 13 53.245 0.000 . 1 . . . A 107 LEU CA . 19726 1 1158 . 1 1 107 107 LEU CB C 13 39.570 0.001 . 1 . . . A 107 LEU CB . 19726 1 1159 . 1 1 107 107 LEU CG C 13 24.183 0.000 . 1 . . . A 107 LEU CG . 19726 1 1160 . 1 1 107 107 LEU CD1 C 13 23.339 0.000 . 1 . . . A 107 LEU CD1 . 19726 1 1161 . 1 1 107 107 LEU CD2 C 13 20.223 0.013 . 1 . . . A 107 LEU CD2 . 19726 1 1162 . 1 1 107 107 LEU N N 15 117.551 0.006 . 1 . . . A 107 LEU N . 19726 1 1163 . 1 1 108 108 LEU H H 1 7.316 0.002 . 1 . . . A 108 LEU H . 19726 1 1164 . 1 1 108 108 LEU HA H 1 4.376 0.003 . 1 . . . A 108 LEU HA . 19726 1 1165 . 1 1 108 108 LEU HB2 H 1 1.554 0.000 . 2 . . . A 108 LEU HB2 . 19726 1 1166 . 1 1 108 108 LEU HB3 H 1 1.777 0.000 . 2 . . . A 108 LEU HB3 . 19726 1 1167 . 1 1 108 108 LEU HG H 1 1.928 0.001 . 1 . . . A 108 LEU HG . 19726 1 1168 . 1 1 108 108 LEU HD11 H 1 0.745 0.000 . 1 . . . A 108 LEU MD1 . 19726 1 1169 . 1 1 108 108 LEU HD12 H 1 0.745 0.000 . 1 . . . A 108 LEU MD1 . 19726 1 1170 . 1 1 108 108 LEU HD13 H 1 0.745 0.000 . 1 . . . A 108 LEU MD1 . 19726 1 1171 . 1 1 108 108 LEU HD21 H 1 0.622 0.000 . 1 . . . A 108 LEU MD2 . 19726 1 1172 . 1 1 108 108 LEU HD22 H 1 0.622 0.000 . 1 . . . A 108 LEU MD2 . 19726 1 1173 . 1 1 108 108 LEU HD23 H 1 0.622 0.000 . 1 . . . A 108 LEU MD2 . 19726 1 1174 . 1 1 108 108 LEU CA C 13 52.181 0.000 . 1 . . . A 108 LEU CA . 19726 1 1175 . 1 1 108 108 LEU CG C 13 23.483 0.000 . 1 . . . A 108 LEU CG . 19726 1 1176 . 1 1 108 108 LEU CD1 C 13 23.663 0.000 . 1 . . . A 108 LEU CD1 . 19726 1 1177 . 1 1 108 108 LEU CD2 C 13 21.183 0.000 . 1 . . . A 108 LEU CD2 . 19726 1 1178 . 1 1 108 108 LEU N N 15 116.885 0.011 . 1 . . . A 108 LEU N . 19726 1 1179 . 1 1 109 109 ILE H H 1 6.791 0.004 . 1 . . . A 109 ILE H . 19726 1 1180 . 1 1 109 109 ILE HA H 1 4.313 0.002 . 1 . . . A 109 ILE HA . 19726 1 1181 . 1 1 109 109 ILE HB H 1 1.772 0.001 . 1 . . . A 109 ILE HB . 19726 1 1182 . 1 1 109 109 ILE HG12 H 1 1.593 0.003 . 1 . . . A 109 ILE HG12 . 19726 1 1183 . 1 1 109 109 ILE HG13 H 1 1.593 0.003 . 1 . . . A 109 ILE HG13 . 19726 1 1184 . 1 1 109 109 ILE HG21 H 1 0.794 0.000 . 1 . . . A 109 ILE MG . 19726 1 1185 . 1 1 109 109 ILE HG22 H 1 0.794 0.000 . 1 . . . A 109 ILE MG . 19726 1 1186 . 1 1 109 109 ILE HG23 H 1 0.794 0.000 . 1 . . . A 109 ILE MG . 19726 1 1187 . 1 1 109 109 ILE HD11 H 1 0.878 0.000 . 1 . . . A 109 ILE MD . 19726 1 1188 . 1 1 109 109 ILE HD12 H 1 0.878 0.000 . 1 . . . A 109 ILE MD . 19726 1 1189 . 1 1 109 109 ILE HD13 H 1 0.878 0.000 . 1 . . . A 109 ILE MD . 19726 1 1190 . 1 1 109 109 ILE CA C 13 55.028 0.000 . 1 . . . A 109 ILE CA . 19726 1 1191 . 1 1 109 109 ILE CB C 13 36.552 0.000 . 1 . . . A 109 ILE CB . 19726 1 1192 . 1 1 109 109 ILE CG1 C 13 24.201 0.000 . 1 . . . A 109 ILE CG1 . 19726 1 1193 . 1 1 109 109 ILE CG2 C 13 14.140 0.001 . 1 . . . A 109 ILE CG2 . 19726 1 1194 . 1 1 109 109 ILE CD1 C 13 10.421 0.000 . 1 . . . A 109 ILE CD1 . 19726 1 1195 . 1 1 109 109 ILE N N 15 117.289 0.004 . 1 . . . A 109 ILE N . 19726 1 1196 . 1 1 110 110 PRO HA H 1 3.586 0.002 . 1 . . . A 110 PRO HA . 19726 1 1197 . 1 1 110 110 PRO HB2 H 1 0.982 0.002 . 2 . . . A 110 PRO HB2 . 19726 1 1198 . 1 1 110 110 PRO HB3 H 1 1.118 0.002 . 2 . . . A 110 PRO HB3 . 19726 1 1199 . 1 1 110 110 PRO HG2 H 1 0.220 0.004 . 2 . . . A 110 PRO HG2 . 19726 1 1200 . 1 1 110 110 PRO HG3 H 1 0.736 0.000 . 2 . . . A 110 PRO HG3 . 19726 1 1201 . 1 1 110 110 PRO HD2 H 1 2.559 0.003 . 2 . . . A 110 PRO HD2 . 19726 1 1202 . 1 1 110 110 PRO HD3 H 1 3.095 0.000 . 2 . . . A 110 PRO HD3 . 19726 1 1203 . 1 1 110 110 PRO CA C 13 60.079 0.000 . 1 . . . A 110 PRO CA . 19726 1 1204 . 1 1 110 110 PRO CB C 13 28.980 0.015 . 1 . . . A 110 PRO CB . 19726 1 1205 . 1 1 110 110 PRO CG C 13 24.212 0.000 . 1 . . . A 110 PRO CG . 19726 1 1206 . 1 1 110 110 PRO CD C 13 47.574 0.007 . 1 . . . A 110 PRO CD . 19726 1 1207 . 1 1 111 111 ALA H H 1 7.742 0.001 . 1 . . . A 111 ALA H . 19726 1 1208 . 1 1 111 111 ALA HA H 1 4.576 0.004 . 1 . . . A 111 ALA HA . 19726 1 1209 . 1 1 111 111 ALA HB1 H 1 1.365 0.001 . 1 . . . A 111 ALA MB . 19726 1 1210 . 1 1 111 111 ALA HB2 H 1 1.365 0.001 . 1 . . . A 111 ALA MB . 19726 1 1211 . 1 1 111 111 ALA HB3 H 1 1.365 0.001 . 1 . . . A 111 ALA MB . 19726 1 1212 . 1 1 111 111 ALA CA C 13 47.390 0.008 . 1 . . . A 111 ALA CA . 19726 1 1213 . 1 1 111 111 ALA CB C 13 15.595 0.007 . 1 . . . A 111 ALA CB . 19726 1 1214 . 1 1 111 111 ALA N N 15 126.481 0.010 . 1 . . . A 111 ALA N . 19726 1 1215 . 1 1 112 112 PRO HA H 1 4.364 0.001 . 1 . . . A 112 PRO HA . 19726 1 1216 . 1 1 112 112 PRO HB2 H 1 2.371 0.000 . 1 . . . A 112 PRO HB2 . 19726 1 1217 . 1 1 112 112 PRO HB3 H 1 2.371 0.000 . 1 . . . A 112 PRO HB3 . 19726 1 1218 . 1 1 112 112 PRO HD2 H 1 3.567 0.003 . 2 . . . A 112 PRO HD2 . 19726 1 1219 . 1 1 112 112 PRO HD3 H 1 3.846 0.001 . 2 . . . A 112 PRO HD3 . 19726 1 1220 . 1 1 112 112 PRO CA C 13 60.735 0.000 . 1 . . . A 112 PRO CA . 19726 1 1221 . 1 1 112 112 PRO CB C 13 29.180 0.000 . 1 . . . A 112 PRO CB . 19726 1 1222 . 1 1 112 112 PRO CD C 13 47.760 0.030 . 1 . . . A 112 PRO CD . 19726 1 1223 . 1 1 113 113 GLU H H 1 8.797 0.009 . 1 . . . A 113 GLU H . 19726 1 1224 . 1 1 113 113 GLU HA H 1 4.052 0.000 . 1 . . . A 113 GLU HA . 19726 1 1225 . 1 1 113 113 GLU HB2 H 1 1.982 0.001 . 2 . . . A 113 GLU HB2 . 19726 1 1226 . 1 1 113 113 GLU HB3 H 1 2.074 0.001 . 2 . . . A 113 GLU HB3 . 19726 1 1227 . 1 1 113 113 GLU CA C 13 55.918 0.000 . 1 . . . A 113 GLU CA . 19726 1 1228 . 1 1 113 113 GLU CB C 13 26.963 0.016 . 1 . . . A 113 GLU CB . 19726 1 1229 . 1 1 113 113 GLU N N 15 124.401 0.007 . 1 . . . A 113 GLU N . 19726 1 1230 . 1 1 114 114 GLY H H 1 8.135 0.001 . 1 . . . A 114 GLY H . 19726 1 1231 . 1 1 114 114 GLY HA2 H 1 3.600 0.002 . 2 . . . A 114 GLY HA2 . 19726 1 1232 . 1 1 114 114 GLY HA3 H 1 4.273 0.002 . 2 . . . A 114 GLY HA3 . 19726 1 1233 . 1 1 114 114 GLY CA C 13 42.933 0.006 . 1 . . . A 114 GLY CA . 19726 1 1234 . 1 1 114 114 GLY N N 15 112.042 0.006 . 1 . . . A 114 GLY N . 19726 1 1235 . 1 1 115 115 THR H H 1 7.881 0.001 . 1 . . . A 115 THR H . 19726 1 1236 . 1 1 115 115 THR HB H 1 4.437 0.000 . 1 . . . A 115 THR HB . 19726 1 1237 . 1 1 115 115 THR HG21 H 1 1.122 0.000 . 1 . . . A 115 THR MG . 19726 1 1238 . 1 1 115 115 THR HG22 H 1 1.122 0.000 . 1 . . . A 115 THR MG . 19726 1 1239 . 1 1 115 115 THR HG23 H 1 1.122 0.000 . 1 . . . A 115 THR MG . 19726 1 1240 . 1 1 115 115 THR CB C 13 67.931 0.000 . 1 . . . A 115 THR CB . 19726 1 1241 . 1 1 115 115 THR CG2 C 13 18.420 0.000 . 1 . . . A 115 THR CG2 . 19726 1 1242 . 1 1 115 115 THR N N 15 108.826 0.007 . 1 . . . A 115 THR N . 19726 1 1243 . 1 1 116 116 ASP H H 1 8.454 0.000 . 1 . . . A 116 ASP H . 19726 1 1244 . 1 1 116 116 ASP HA H 1 4.441 0.000 . 1 . . . A 116 ASP HA . 19726 1 1245 . 1 1 116 116 ASP HB2 H 1 2.398 0.003 . 2 . . . A 116 ASP HB2 . 19726 1 1246 . 1 1 116 116 ASP HB3 H 1 3.166 0.007 . 2 . . . A 116 ASP HB3 . 19726 1 1247 . 1 1 116 116 ASP CB C 13 38.174 0.039 . 1 . . . A 116 ASP CB . 19726 1 1248 . 1 1 116 116 ASP N N 15 123.569 0.075 . 1 . . . A 116 ASP N . 19726 1 1249 . 1 1 117 117 GLU H H 1 8.288 0.004 . 1 . . . A 117 GLU H . 19726 1 1250 . 1 1 117 117 GLU HA H 1 4.140 0.002 . 1 . . . A 117 GLU HA . 19726 1 1251 . 1 1 117 117 GLU HB2 H 1 2.091 0.002 . 2 . . . A 117 GLU HB2 . 19726 1 1252 . 1 1 117 117 GLU HB3 H 1 2.003 0.001 . 2 . . . A 117 GLU HB3 . 19726 1 1253 . 1 1 117 117 GLU HG2 H 1 2.346 0.001 . 1 . . . A 117 GLU HG2 . 19726 1 1254 . 1 1 117 117 GLU HG3 H 1 2.346 0.001 . 1 . . . A 117 GLU HG3 . 19726 1 1255 . 1 1 117 117 GLU CA C 13 55.684 0.000 . 1 . . . A 117 GLU CA . 19726 1 1256 . 1 1 117 117 GLU CB C 13 27.055 0.015 . 1 . . . A 117 GLU CB . 19726 1 1257 . 1 1 117 117 GLU CG C 13 32.901 0.000 . 1 . . . A 117 GLU CG . 19726 1 1258 . 1 1 117 117 GLU N N 15 126.501 0.008 . 1 . . . A 117 GLU N . 19726 1 1259 . 1 1 118 118 LEU H H 1 8.069 0.005 . 1 . . . A 118 LEU H . 19726 1 1260 . 1 1 118 118 LEU HA H 1 4.142 0.003 . 1 . . . A 118 LEU HA . 19726 1 1261 . 1 1 118 118 LEU HB2 H 1 1.586 0.006 . 2 . . . A 118 LEU HB2 . 19726 1 1262 . 1 1 118 118 LEU HB3 H 1 1.758 0.000 . 2 . . . A 118 LEU HB3 . 19726 1 1263 . 1 1 118 118 LEU HD11 H 1 0.964 0.003 . 2 . . . A 118 LEU MD1 . 19726 1 1264 . 1 1 118 118 LEU HD12 H 1 0.964 0.003 . 2 . . . A 118 LEU MD1 . 19726 1 1265 . 1 1 118 118 LEU HD13 H 1 0.964 0.003 . 2 . . . A 118 LEU MD1 . 19726 1 1266 . 1 1 118 118 LEU HD21 H 1 0.879 0.001 . 2 . . . A 118 LEU MD2 . 19726 1 1267 . 1 1 118 118 LEU HD22 H 1 0.879 0.001 . 2 . . . A 118 LEU MD2 . 19726 1 1268 . 1 1 118 118 LEU HD23 H 1 0.879 0.001 . 2 . . . A 118 LEU MD2 . 19726 1 1269 . 1 1 118 118 LEU CA C 13 55.352 0.057 . 1 . . . A 118 LEU CA . 19726 1 1270 . 1 1 118 118 LEU CB C 13 38.195 0.018 . 1 . . . A 118 LEU CB . 19726 1 1271 . 1 1 118 118 LEU CD1 C 13 21.994 0.000 . 2 . . . A 118 LEU CD1 . 19726 1 1272 . 1 1 118 118 LEU CD2 C 13 20.957 0.003 . 2 . . . A 118 LEU CD2 . 19726 1 1273 . 1 1 118 118 LEU N N 15 119.889 0.004 . 1 . . . A 118 LEU N . 19726 1 1274 . 1 1 119 119 LYS H H 1 7.651 0.005 . 1 . . . A 119 LYS H . 19726 1 1275 . 1 1 119 119 LYS HA H 1 4.306 0.002 . 1 . . . A 119 LYS HA . 19726 1 1276 . 1 1 119 119 LYS HB2 H 1 1.684 0.000 . 1 . . . A 119 LYS HB2 . 19726 1 1277 . 1 1 119 119 LYS HB3 H 1 1.684 0.000 . 1 . . . A 119 LYS HB3 . 19726 1 1278 . 1 1 119 119 LYS HD2 H 1 1.685 0.000 . 1 . . . A 119 LYS HD2 . 19726 1 1279 . 1 1 119 119 LYS HD3 H 1 1.685 0.000 . 1 . . . A 119 LYS HD3 . 19726 1 1280 . 1 1 119 119 LYS HE2 H 1 2.718 0.008 . 2 . . . A 119 LYS HE2 . 19726 1 1281 . 1 1 119 119 LYS HE3 H 1 2.844 0.005 . 2 . . . A 119 LYS HE3 . 19726 1 1282 . 1 1 119 119 LYS CA C 13 56.044 0.000 . 1 . . . A 119 LYS CA . 19726 1 1283 . 1 1 119 119 LYS CE C 13 39.881 0.060 . 1 . . . A 119 LYS CE . 19726 1 1284 . 1 1 119 119 LYS N N 15 122.866 0.012 . 1 . . . A 119 LYS N . 19726 1 1285 . 1 1 120 120 ARG H H 1 7.833 0.001 . 1 . . . A 120 ARG H . 19726 1 1286 . 1 1 120 120 ARG HA H 1 3.682 0.003 . 1 . . . A 120 ARG HA . 19726 1 1287 . 1 1 120 120 ARG HB2 H 1 2.005 0.003 . 1 . . . A 120 ARG HB2 . 19726 1 1288 . 1 1 120 120 ARG HB3 H 1 2.005 0.003 . 1 . . . A 120 ARG HB3 . 19726 1 1289 . 1 1 120 120 ARG HG2 H 1 1.686 0.001 . 1 . . . A 120 ARG HG2 . 19726 1 1290 . 1 1 120 120 ARG HG3 H 1 1.686 0.001 . 1 . . . A 120 ARG HG3 . 19726 1 1291 . 1 1 120 120 ARG HD2 H 1 3.224 0.000 . 2 . . . A 120 ARG HD2 . 19726 1 1292 . 1 1 120 120 ARG HD3 H 1 3.410 0.001 . 2 . . . A 120 ARG HD3 . 19726 1 1293 . 1 1 120 120 ARG HE H 1 8.170 0.004 . 1 . . . A 120 ARG HE . 19726 1 1294 . 1 1 120 120 ARG CA C 13 58.003 0.010 . 1 . . . A 120 ARG CA . 19726 1 1295 . 1 1 120 120 ARG CB C 13 27.229 0.000 . 1 . . . A 120 ARG CB . 19726 1 1296 . 1 1 120 120 ARG N N 15 118.632 0.020 . 1 . . . A 120 ARG N . 19726 1 1297 . 1 1 120 120 ARG NE N 15 84.218 0.026 . 1 . . . A 120 ARG NE . 19726 1 1298 . 1 1 121 121 LYS H H 1 7.876 0.004 . 1 . . . A 121 LYS H . 19726 1 1299 . 1 1 121 121 LYS HA H 1 3.978 0.007 . 1 . . . A 121 LYS HA . 19726 1 1300 . 1 1 121 121 LYS HB2 H 1 1.947 0.001 . 1 . . . A 121 LYS HB2 . 19726 1 1301 . 1 1 121 121 LYS HB3 H 1 1.947 0.001 . 1 . . . A 121 LYS HB3 . 19726 1 1302 . 1 1 121 121 LYS HG2 H 1 1.401 0.001 . 2 . . . A 121 LYS HG2 . 19726 1 1303 . 1 1 121 121 LYS HG3 H 1 1.594 0.002 . 2 . . . A 121 LYS HG3 . 19726 1 1304 . 1 1 121 121 LYS HD2 H 1 1.681 0.004 . 1 . . . A 121 LYS HD2 . 19726 1 1305 . 1 1 121 121 LYS HD3 H 1 1.681 0.004 . 1 . . . A 121 LYS HD3 . 19726 1 1306 . 1 1 121 121 LYS HE2 H 1 2.978 0.001 . 1 . . . A 121 LYS HE2 . 19726 1 1307 . 1 1 121 121 LYS HE3 H 1 2.978 0.001 . 1 . . . A 121 LYS HE3 . 19726 1 1308 . 1 1 121 121 LYS CB C 13 29.905 0.000 . 1 . . . A 121 LYS CB . 19726 1 1309 . 1 1 121 121 LYS CG C 13 22.935 0.082 . 1 . . . A 121 LYS CG . 19726 1 1310 . 1 1 121 121 LYS N N 15 117.264 0.005 . 1 . . . A 121 LYS N . 19726 1 1311 . 1 1 122 122 GLN H H 1 8.238 0.001 . 1 . . . A 122 GLN H . 19726 1 1312 . 1 1 122 122 GLN HA H 1 3.968 0.007 . 1 . . . A 122 GLN HA . 19726 1 1313 . 1 1 122 122 GLN HG2 H 1 2.058 0.005 . 2 . . . A 122 GLN HG2 . 19726 1 1314 . 1 1 122 122 GLN HG3 H 1 2.825 0.004 . 2 . . . A 122 GLN HG3 . 19726 1 1315 . 1 1 122 122 GLN CA C 13 56.546 0.000 . 1 . . . A 122 GLN CA . 19726 1 1316 . 1 1 122 122 GLN CG C 13 31.506 0.005 . 1 . . . A 122 GLN CG . 19726 1 1317 . 1 1 122 122 GLN N N 15 120.021 0.016 . 1 . . . A 122 GLN N . 19726 1 1318 . 1 1 123 123 LEU H H 1 8.283 0.001 . 1 . . . A 123 LEU H . 19726 1 1319 . 1 1 123 123 LEU HA H 1 3.764 0.006 . 1 . . . A 123 LEU HA . 19726 1 1320 . 1 1 123 123 LEU HB2 H 1 1.935 0.000 . 1 . . . A 123 LEU HB2 . 19726 1 1321 . 1 1 123 123 LEU HB3 H 1 1.935 0.000 . 1 . . . A 123 LEU HB3 . 19726 1 1322 . 1 1 123 123 LEU HG H 1 1.766 0.001 . 1 . . . A 123 LEU HG . 19726 1 1323 . 1 1 123 123 LEU HD11 H 1 0.571 0.005 . 1 . . . A 123 LEU MD1 . 19726 1 1324 . 1 1 123 123 LEU HD12 H 1 0.571 0.005 . 1 . . . A 123 LEU MD1 . 19726 1 1325 . 1 1 123 123 LEU HD13 H 1 0.571 0.005 . 1 . . . A 123 LEU MD1 . 19726 1 1326 . 1 1 123 123 LEU HD21 H 1 0.447 0.001 . 1 . . . A 123 LEU MD2 . 19726 1 1327 . 1 1 123 123 LEU HD22 H 1 0.447 0.001 . 1 . . . A 123 LEU MD2 . 19726 1 1328 . 1 1 123 123 LEU HD23 H 1 0.447 0.001 . 1 . . . A 123 LEU MD2 . 19726 1 1329 . 1 1 123 123 LEU CA C 13 54.973 0.000 . 1 . . . A 123 LEU CA . 19726 1 1330 . 1 1 123 123 LEU CG C 13 25.039 0.000 . 1 . . . A 123 LEU CG . 19726 1 1331 . 1 1 123 123 LEU CD1 C 13 21.584 0.007 . 1 . . . A 123 LEU CD1 . 19726 1 1332 . 1 1 123 123 LEU CD2 C 13 20.126 0.000 . 1 . . . A 123 LEU CD2 . 19726 1 1333 . 1 1 123 123 LEU N N 15 116.959 0.001 . 1 . . . A 123 LEU N . 19726 1 1334 . 1 1 124 124 MET H H 1 8.317 0.008 . 1 . . . A 124 MET H . 19726 1 1335 . 1 1 124 124 MET HA H 1 3.978 0.006 . 1 . . . A 124 MET HA . 19726 1 1336 . 1 1 124 124 MET HB2 H 1 2.162 0.000 . 1 . . . A 124 MET HB2 . 19726 1 1337 . 1 1 124 124 MET HB3 H 1 2.162 0.000 . 1 . . . A 124 MET HB3 . 19726 1 1338 . 1 1 124 124 MET HE1 H 1 2.120 0.000 . 1 . . . A 124 MET ME . 19726 1 1339 . 1 1 124 124 MET HE2 H 1 2.120 0.000 . 1 . . . A 124 MET ME . 19726 1 1340 . 1 1 124 124 MET HE3 H 1 2.120 0.000 . 1 . . . A 124 MET ME . 19726 1 1341 . 1 1 124 124 MET CB C 13 30.412 0.000 . 1 . . . A 124 MET CB . 19726 1 1342 . 1 1 124 124 MET CE C 13 14.747 0.000 . 1 . . . A 124 MET CE . 19726 1 1343 . 1 1 124 124 MET N N 15 123.694 0.000 . 1 . . . A 124 MET N . 19726 1 1344 . 1 1 125 125 GLU H H 1 8.502 0.006 . 1 . . . A 125 GLU H . 19726 1 1345 . 1 1 125 125 GLU HA H 1 3.782 0.007 . 1 . . . A 125 GLU HA . 19726 1 1346 . 1 1 125 125 GLU HB2 H 1 1.915 0.004 . 2 . . . A 125 GLU HB2 . 19726 1 1347 . 1 1 125 125 GLU HB3 H 1 2.149 0.007 . 2 . . . A 125 GLU HB3 . 19726 1 1348 . 1 1 125 125 GLU HG2 H 1 2.173 0.002 . 2 . . . A 125 GLU HG2 . 19726 1 1349 . 1 1 125 125 GLU HG3 H 1 2.404 0.003 . 2 . . . A 125 GLU HG3 . 19726 1 1350 . 1 1 125 125 GLU CA C 13 57.181 0.025 . 1 . . . A 125 GLU CA . 19726 1 1351 . 1 1 125 125 GLU CB C 13 26.155 0.036 . 1 . . . A 125 GLU CB . 19726 1 1352 . 1 1 125 125 GLU CG C 13 33.808 0.007 . 1 . . . A 125 GLU CG . 19726 1 1353 . 1 1 125 125 GLU N N 15 120.068 0.013 . 1 . . . A 125 GLU N . 19726 1 1354 . 1 1 126 126 LEU H H 1 8.579 0.005 . 1 . . . A 126 LEU H . 19726 1 1355 . 1 1 126 126 LEU HA H 1 3.805 0.008 . 1 . . . A 126 LEU HA . 19726 1 1356 . 1 1 126 126 LEU HB2 H 1 1.760 0.005 . 1 . . . A 126 LEU HB2 . 19726 1 1357 . 1 1 126 126 LEU HB3 H 1 1.760 0.005 . 1 . . . A 126 LEU HB3 . 19726 1 1358 . 1 1 126 126 LEU HG H 1 1.595 0.000 . 1 . . . A 126 LEU HG . 19726 1 1359 . 1 1 126 126 LEU HD11 H 1 0.977 0.001 . 1 . . . A 126 LEU MD1 . 19726 1 1360 . 1 1 126 126 LEU HD12 H 1 0.977 0.001 . 1 . . . A 126 LEU MD1 . 19726 1 1361 . 1 1 126 126 LEU HD13 H 1 0.977 0.001 . 1 . . . A 126 LEU MD1 . 19726 1 1362 . 1 1 126 126 LEU HD21 H 1 0.913 0.000 . 1 . . . A 126 LEU MD2 . 19726 1 1363 . 1 1 126 126 LEU HD22 H 1 0.913 0.000 . 1 . . . A 126 LEU MD2 . 19726 1 1364 . 1 1 126 126 LEU HD23 H 1 0.913 0.000 . 1 . . . A 126 LEU MD2 . 19726 1 1365 . 1 1 126 126 LEU CA C 13 54.995 0.000 . 1 . . . A 126 LEU CA . 19726 1 1366 . 1 1 126 126 LEU CB C 13 40.486 0.000 . 1 . . . A 126 LEU CB . 19726 1 1367 . 1 1 126 126 LEU CD1 C 13 21.402 0.017 . 1 . . . A 126 LEU CD1 . 19726 1 1368 . 1 1 126 126 LEU CD2 C 13 23.088 0.000 . 1 . . . A 126 LEU CD2 . 19726 1 1369 . 1 1 126 126 LEU N N 15 118.718 0.058 . 1 . . . A 126 LEU N . 19726 1 1370 . 1 1 127 127 ALA H H 1 6.929 0.001 . 1 . . . A 127 ALA H . 19726 1 1371 . 1 1 127 127 ALA HA H 1 4.134 0.002 . 1 . . . A 127 ALA HA . 19726 1 1372 . 1 1 127 127 ALA HB1 H 1 0.858 0.000 . 1 . . . A 127 ALA MB . 19726 1 1373 . 1 1 127 127 ALA HB2 H 1 0.858 0.000 . 1 . . . A 127 ALA MB . 19726 1 1374 . 1 1 127 127 ALA HB3 H 1 0.858 0.000 . 1 . . . A 127 ALA MB . 19726 1 1375 . 1 1 127 127 ALA CA C 13 51.017 0.053 . 1 . . . A 127 ALA CA . 19726 1 1376 . 1 1 127 127 ALA CB C 13 14.921 0.000 . 1 . . . A 127 ALA CB . 19726 1 1377 . 1 1 127 127 ALA N N 15 119.375 0.006 . 1 . . . A 127 ALA N . 19726 1 1378 . 1 1 128 128 ILE H H 1 7.952 0.001 . 1 . . . A 128 ILE H . 19726 1 1379 . 1 1 128 128 ILE HA H 1 3.640 0.002 . 1 . . . A 128 ILE HA . 19726 1 1380 . 1 1 128 128 ILE HB H 1 1.855 0.002 . 1 . . . A 128 ILE HB . 19726 1 1381 . 1 1 128 128 ILE HG12 H 1 0.452 0.000 . 2 . . . A 128 ILE HG12 . 19726 1 1382 . 1 1 128 128 ILE HG13 H 1 1.496 0.001 . 2 . . . A 128 ILE HG13 . 19726 1 1383 . 1 1 128 128 ILE HG21 H 1 0.771 0.002 . 1 . . . A 128 ILE MG . 19726 1 1384 . 1 1 128 128 ILE HG22 H 1 0.771 0.002 . 1 . . . A 128 ILE MG . 19726 1 1385 . 1 1 128 128 ILE HG23 H 1 0.771 0.002 . 1 . . . A 128 ILE MG . 19726 1 1386 . 1 1 128 128 ILE HD11 H 1 0.452 0.002 . 1 . . . A 128 ILE MD . 19726 1 1387 . 1 1 128 128 ILE HD12 H 1 0.452 0.002 . 1 . . . A 128 ILE MD . 19726 1 1388 . 1 1 128 128 ILE HD13 H 1 0.452 0.002 . 1 . . . A 128 ILE MD . 19726 1 1389 . 1 1 128 128 ILE CA C 13 62.712 0.002 . 1 . . . A 128 ILE CA . 19726 1 1390 . 1 1 128 128 ILE CB C 13 35.126 0.000 . 1 . . . A 128 ILE CB . 19726 1 1391 . 1 1 128 128 ILE CG1 C 13 27.224 0.004 . 1 . . . A 128 ILE CG1 . 19726 1 1392 . 1 1 128 128 ILE CG2 C 13 14.091 0.000 . 1 . . . A 128 ILE CG2 . 19726 1 1393 . 1 1 128 128 ILE CD1 C 13 10.613 0.001 . 1 . . . A 128 ILE CD1 . 19726 1 1394 . 1 1 128 128 ILE N N 15 120.169 0.010 . 1 . . . A 128 ILE N . 19726 1 1395 . 1 1 129 129 ILE H H 1 8.109 0.001 . 1 . . . A 129 ILE H . 19726 1 1396 . 1 1 129 129 ILE HA H 1 3.723 0.013 . 1 . . . A 129 ILE HA . 19726 1 1397 . 1 1 129 129 ILE HB H 1 1.953 0.002 . 1 . . . A 129 ILE HB . 19726 1 1398 . 1 1 129 129 ILE HG12 H 1 1.103 0.012 . 1 . . . A 129 ILE HG12 . 19726 1 1399 . 1 1 129 129 ILE HG13 H 1 1.103 0.012 . 1 . . . A 129 ILE HG13 . 19726 1 1400 . 1 1 129 129 ILE HG21 H 1 0.915 0.003 . 1 . . . A 129 ILE MG . 19726 1 1401 . 1 1 129 129 ILE HG22 H 1 0.915 0.003 . 1 . . . A 129 ILE MG . 19726 1 1402 . 1 1 129 129 ILE HG23 H 1 0.915 0.003 . 1 . . . A 129 ILE MG . 19726 1 1403 . 1 1 129 129 ILE HD11 H 1 0.788 0.009 . 1 . . . A 129 ILE MD . 19726 1 1404 . 1 1 129 129 ILE HD12 H 1 0.788 0.009 . 1 . . . A 129 ILE MD . 19726 1 1405 . 1 1 129 129 ILE HD13 H 1 0.788 0.009 . 1 . . . A 129 ILE MD . 19726 1 1406 . 1 1 129 129 ILE CA C 13 62.690 0.000 . 1 . . . A 129 ILE CA . 19726 1 1407 . 1 1 129 129 ILE CB C 13 35.749 0.000 . 1 . . . A 129 ILE CB . 19726 1 1408 . 1 1 129 129 ILE CG1 C 13 25.794 0.000 . 1 . . . A 129 ILE CG1 . 19726 1 1409 . 1 1 129 129 ILE CG2 C 13 14.160 0.000 . 1 . . . A 129 ILE CG2 . 19726 1 1410 . 1 1 129 129 ILE CD1 C 13 11.729 0.000 . 1 . . . A 129 ILE CD1 . 19726 1 1411 . 1 1 129 129 ILE N N 15 121.418 0.006 . 1 . . . A 129 ILE N . 19726 1 1412 . 1 1 130 130 ASN H H 1 8.458 0.004 . 1 . . . A 130 ASN H . 19726 1 1413 . 1 1 130 130 ASN HA H 1 4.727 0.000 . 1 . . . A 130 ASN HA . 19726 1 1414 . 1 1 130 130 ASN HB2 H 1 2.927 0.008 . 1 . . . A 130 ASN HB2 . 19726 1 1415 . 1 1 130 130 ASN HB3 H 1 2.927 0.008 . 1 . . . A 130 ASN HB3 . 19726 1 1416 . 1 1 130 130 ASN HD21 H 1 7.272 0.000 . 2 . . . A 130 ASN HD21 . 19726 1 1417 . 1 1 130 130 ASN HD22 H 1 7.046 0.001 . 2 . . . A 130 ASN HD22 . 19726 1 1418 . 1 1 130 130 ASN CB C 13 36.180 0.000 . 1 . . . A 130 ASN CB . 19726 1 1419 . 1 1 130 130 ASN N N 15 116.480 0.038 . 1 . . . A 130 ASN N . 19726 1 1420 . 1 1 130 130 ASN ND2 N 15 109.474 0.006 . 1 . . . A 130 ASN ND2 . 19726 1 1421 . 1 1 131 131 GLY H H 1 7.910 0.006 . 1 . . . A 131 GLY H . 19726 1 1422 . 1 1 131 131 GLY HA2 H 1 4.130 0.004 . 2 . . . A 131 GLY HA2 . 19726 1 1423 . 1 1 131 131 GLY HA3 H 1 4.211 0.048 . 2 . . . A 131 GLY HA3 . 19726 1 1424 . 1 1 131 131 GLY CA C 13 44.010 0.005 . 1 . . . A 131 GLY CA . 19726 1 1425 . 1 1 131 131 GLY N N 15 109.407 0.002 . 1 . . . A 131 GLY N . 19726 1 1426 . 1 1 132 132 THR H H 1 8.757 0.002 . 1 . . . A 132 THR H . 19726 1 1427 . 1 1 132 132 THR HA H 1 4.574 0.000 . 1 . . . A 132 THR HA . 19726 1 1428 . 1 1 132 132 THR HB H 1 4.707 0.010 . 1 . . . A 132 THR HB . 19726 1 1429 . 1 1 132 132 THR HG21 H 1 1.117 0.001 . 1 . . . A 132 THR MG . 19726 1 1430 . 1 1 132 132 THR HG22 H 1 1.117 0.001 . 1 . . . A 132 THR MG . 19726 1 1431 . 1 1 132 132 THR HG23 H 1 1.117 0.001 . 1 . . . A 132 THR MG . 19726 1 1432 . 1 1 132 132 THR CA C 13 57.906 0.000 . 1 . . . A 132 THR CA . 19726 1 1433 . 1 1 132 132 THR CG2 C 13 19.209 0.000 . 1 . . . A 132 THR CG2 . 19726 1 1434 . 1 1 132 132 THR N N 15 110.674 0.014 . 1 . . . A 132 THR N . 19726 1 1435 . 1 1 133 133 TYR H H 1 7.366 0.000 . 1 . . . A 133 TYR H . 19726 1 1436 . 1 1 133 133 TYR HA H 1 4.263 0.013 . 1 . . . A 133 TYR HA . 19726 1 1437 . 1 1 133 133 TYR HB2 H 1 2.522 0.005 . 2 . . . A 133 TYR HB2 . 19726 1 1438 . 1 1 133 133 TYR HB3 H 1 2.860 0.004 . 2 . . . A 133 TYR HB3 . 19726 1 1439 . 1 1 133 133 TYR HD1 H 1 6.866 0.006 . 1 . . . A 133 TYR HD1 . 19726 1 1440 . 1 1 133 133 TYR HD2 H 1 6.866 0.006 . 1 . . . A 133 TYR HD2 . 19726 1 1441 . 1 1 133 133 TYR HE1 H 1 6.808 0.000 . 1 . . . A 133 TYR HE1 . 19726 1 1442 . 1 1 133 133 TYR HE2 H 1 6.808 0.000 . 1 . . . A 133 TYR HE2 . 19726 1 1443 . 1 1 133 133 TYR CA C 13 56.562 0.000 . 1 . . . A 133 TYR CA . 19726 1 1444 . 1 1 133 133 TYR CB C 13 36.024 0.002 . 1 . . . A 133 TYR CB . 19726 1 1445 . 1 1 133 133 TYR CD2 C 13 130.156 0.000 . 3 . . . A 133 TYR CD2 . 19726 1 1446 . 1 1 133 133 TYR CE2 C 13 115.676 0.000 . 3 . . . A 133 TYR CE2 . 19726 1 1447 . 1 1 133 133 TYR N N 15 122.917 0.004 . 1 . . . A 133 TYR N . 19726 1 1448 . 1 1 134 134 ARG H H 1 9.161 0.006 . 1 . . . A 134 ARG H . 19726 1 1449 . 1 1 134 134 ARG HA H 1 4.586 0.006 . 1 . . . A 134 ARG HA . 19726 1 1450 . 1 1 134 134 ARG HB2 H 1 1.619 0.003 . 1 . . . A 134 ARG HB2 . 19726 1 1451 . 1 1 134 134 ARG HB3 H 1 1.619 0.003 . 1 . . . A 134 ARG HB3 . 19726 1 1452 . 1 1 134 134 ARG HG2 H 1 1.529 0.000 . 1 . . . A 134 ARG HG2 . 19726 1 1453 . 1 1 134 134 ARG HG3 H 1 1.529 0.000 . 1 . . . A 134 ARG HG3 . 19726 1 1454 . 1 1 134 134 ARG HD2 H 1 3.046 0.005 . 2 . . . A 134 ARG HD2 . 19726 1 1455 . 1 1 134 134 ARG HD3 H 1 3.206 0.001 . 2 . . . A 134 ARG HD3 . 19726 1 1456 . 1 1 134 134 ARG HE H 1 7.063 0.000 . 1 . . . A 134 ARG HE . 19726 1 1457 . 1 1 134 134 ARG CA C 13 49.939 0.000 . 1 . . . A 134 ARG CA . 19726 1 1458 . 1 1 134 134 ARG CB C 13 28.483 0.002 . 1 . . . A 134 ARG CB . 19726 1 1459 . 1 1 134 134 ARG CD C 13 40.712 0.000 . 1 . . . A 134 ARG CD . 19726 1 1460 . 1 1 134 134 ARG N N 15 130.680 0.020 . 1 . . . A 134 ARG N . 19726 1 1461 . 1 1 134 134 ARG NE N 15 84.504 0.025 . 1 . . . A 134 ARG NE . 19726 1 1462 . 1 1 135 135 PRO HA H 1 4.229 0.001 . 1 . . . A 135 PRO HA . 19726 1 1463 . 1 1 135 135 PRO HB2 H 1 2.280 0.001 . 1 . . . A 135 PRO HB2 . 19726 1 1464 . 1 1 135 135 PRO HB3 H 1 2.280 0.001 . 1 . . . A 135 PRO HB3 . 19726 1 1465 . 1 1 135 135 PRO HG2 H 1 2.023 0.000 . 1 . . . A 135 PRO HG2 . 19726 1 1466 . 1 1 135 135 PRO HG3 H 1 2.023 0.000 . 1 . . . A 135 PRO HG3 . 19726 1 1467 . 1 1 135 135 PRO HD2 H 1 3.550 0.002 . 1 . . . A 135 PRO HD2 . 19726 1 1468 . 1 1 135 135 PRO HD3 H 1 3.550 0.002 . 1 . . . A 135 PRO HD3 . 19726 1 1469 . 1 1 135 135 PRO CA C 13 60.011 0.012 . 1 . . . A 135 PRO CA . 19726 1 1470 . 1 1 135 135 PRO CB C 13 29.053 0.008 . 1 . . . A 135 PRO CB . 19726 1 1471 . 1 1 135 135 PRO CG C 13 24.790 0.007 . 1 . . . A 135 PRO CG . 19726 1 1472 . 1 1 136 136 MET H H 1 8.246 0.006 . 1 . . . A 136 MET H . 19726 1 1473 . 1 1 136 136 MET HA H 1 4.407 0.004 . 1 . . . A 136 MET HA . 19726 1 1474 . 1 1 136 136 MET HB2 H 1 1.935 0.003 . 2 . . . A 136 MET HB2 . 19726 1 1475 . 1 1 136 136 MET HB3 H 1 2.021 0.000 . 2 . . . A 136 MET HB3 . 19726 1 1476 . 1 1 136 136 MET HG2 H 1 2.362 0.002 . 2 . . . A 136 MET HG2 . 19726 1 1477 . 1 1 136 136 MET HG3 H 1 2.496 0.001 . 2 . . . A 136 MET HG3 . 19726 1 1478 . 1 1 136 136 MET HE1 H 1 1.651 0.001 . 1 . . . A 136 MET ME . 19726 1 1479 . 1 1 136 136 MET HE2 H 1 1.651 0.001 . 1 . . . A 136 MET ME . 19726 1 1480 . 1 1 136 136 MET HE3 H 1 1.651 0.001 . 1 . . . A 136 MET ME . 19726 1 1481 . 1 1 136 136 MET CA C 13 52.812 0.000 . 1 . . . A 136 MET CA . 19726 1 1482 . 1 1 136 136 MET CB C 13 30.785 0.022 . 1 . . . A 136 MET CB . 19726 1 1483 . 1 1 136 136 MET CG C 13 29.777 0.023 . 1 . . . A 136 MET CG . 19726 1 1484 . 1 1 136 136 MET CE C 13 14.456 0.006 . 1 . . . A 136 MET CE . 19726 1 1485 . 1 1 136 136 MET N N 15 122.104 0.025 . 1 . . . A 136 MET N . 19726 1 1486 . 1 1 137 137 LYS H H 1 8.243 0.001 . 1 . . . A 137 LYS H . 19726 1 1487 . 1 1 137 137 LYS HA H 1 4.313 0.002 . 1 . . . A 137 LYS HA . 19726 1 1488 . 1 1 137 137 LYS HB2 H 1 1.714 0.001 . 2 . . . A 137 LYS HB2 . 19726 1 1489 . 1 1 137 137 LYS HB3 H 1 1.778 0.000 . 2 . . . A 137 LYS HB3 . 19726 1 1490 . 1 1 137 137 LYS HG2 H 1 1.386 0.003 . 1 . . . A 137 LYS HG2 . 19726 1 1491 . 1 1 137 137 LYS HG3 H 1 1.386 0.003 . 1 . . . A 137 LYS HG3 . 19726 1 1492 . 1 1 137 137 LYS HD2 H 1 1.639 0.000 . 1 . . . A 137 LYS HD2 . 19726 1 1493 . 1 1 137 137 LYS HD3 H 1 1.639 0.000 . 1 . . . A 137 LYS HD3 . 19726 1 1494 . 1 1 137 137 LYS HE2 H 1 2.967 0.000 . 1 . . . A 137 LYS HE2 . 19726 1 1495 . 1 1 137 137 LYS HE3 H 1 2.967 0.000 . 1 . . . A 137 LYS HE3 . 19726 1 1496 . 1 1 137 137 LYS CA C 13 53.539 0.000 . 1 . . . A 137 LYS CA . 19726 1 1497 . 1 1 137 137 LYS CB C 13 30.620 0.015 . 1 . . . A 137 LYS CB . 19726 1 1498 . 1 1 137 137 LYS CG C 13 21.997 0.009 . 1 . . . A 137 LYS CG . 19726 1 1499 . 1 1 137 137 LYS CD C 13 26.588 0.000 . 1 . . . A 137 LYS CD . 19726 1 1500 . 1 1 137 137 LYS N N 15 122.697 0.010 . 1 . . . A 137 LYS N . 19726 1 1501 . 1 1 138 138 SER H H 1 8.342 0.001 . 1 . . . A 138 SER H . 19726 1 1502 . 1 1 138 138 SER HA H 1 4.728 0.000 . 1 . . . A 138 SER HA . 19726 1 1503 . 1 1 138 138 SER HB2 H 1 3.856 0.002 . 1 . . . A 138 SER HB2 . 19726 1 1504 . 1 1 138 138 SER HB3 H 1 3.856 0.002 . 1 . . . A 138 SER HB3 . 19726 1 1505 . 1 1 138 138 SER CB C 13 60.800 0.000 . 1 . . . A 138 SER CB . 19726 1 1506 . 1 1 138 138 SER N N 15 118.967 0.021 . 1 . . . A 138 SER N . 19726 1 1507 . 1 1 139 139 PRO HA H 1 4.436 0.001 . 1 . . . A 139 PRO HA . 19726 1 1508 . 1 1 139 139 PRO HB2 H 1 2.264 0.000 . 1 . . . A 139 PRO HB2 . 19726 1 1509 . 1 1 139 139 PRO HB3 H 1 2.264 0.000 . 1 . . . A 139 PRO HB3 . 19726 1 1510 . 1 1 139 139 PRO HG2 H 1 1.998 0.008 . 1 . . . A 139 PRO HG2 . 19726 1 1511 . 1 1 139 139 PRO HG3 H 1 1.998 0.008 . 1 . . . A 139 PRO HG3 . 19726 1 1512 . 1 1 139 139 PRO HD2 H 1 3.728 0.000 . 2 . . . A 139 PRO HD2 . 19726 1 1513 . 1 1 139 139 PRO HD3 H 1 3.808 0.000 . 2 . . . A 139 PRO HD3 . 19726 1 1514 . 1 1 139 139 PRO CA C 13 60.532 0.004 . 1 . . . A 139 PRO CA . 19726 1 1515 . 1 1 139 139 PRO CB C 13 29.365 0.000 . 1 . . . A 139 PRO CB . 19726 1 1516 . 1 1 139 139 PRO CG C 13 24.593 0.000 . 1 . . . A 139 PRO CG . 19726 1 1517 . 1 1 139 139 PRO CD C 13 48.109 0.012 . 1 . . . A 139 PRO CD . 19726 1 1518 . 1 1 140 140 ASN H H 1 8.350 0.003 . 1 . . . A 140 ASN H . 19726 1 1519 . 1 1 140 140 ASN HA H 1 4.942 0.001 . 1 . . . A 140 ASN HA . 19726 1 1520 . 1 1 140 140 ASN HB2 H 1 2.660 0.008 . 2 . . . A 140 ASN HB2 . 19726 1 1521 . 1 1 140 140 ASN HB3 H 1 2.827 0.002 . 2 . . . A 140 ASN HB3 . 19726 1 1522 . 1 1 140 140 ASN CA C 13 48.632 0.008 . 1 . . . A 140 ASN CA . 19726 1 1523 . 1 1 140 140 ASN CB C 13 36.141 0.005 . 1 . . . A 140 ASN CB . 19726 1 1524 . 1 1 140 140 ASN N N 15 119.781 0.025 . 1 . . . A 140 ASN N . 19726 1 1525 . 1 1 141 141 PRO HA H 1 4.397 0.002 . 1 . . . A 141 PRO HA . 19726 1 1526 . 1 1 141 141 PRO HB2 H 1 2.261 0.000 . 1 . . . A 141 PRO HB2 . 19726 1 1527 . 1 1 141 141 PRO HB3 H 1 2.261 0.000 . 1 . . . A 141 PRO HB3 . 19726 1 1528 . 1 1 141 141 PRO HG2 H 1 1.913 0.000 . 2 . . . A 141 PRO HG2 . 19726 1 1529 . 1 1 141 141 PRO HG3 H 1 1.994 0.000 . 2 . . . A 141 PRO HG3 . 19726 1 1530 . 1 1 141 141 PRO HD2 H 1 3.725 0.000 . 2 . . . A 141 PRO HD2 . 19726 1 1531 . 1 1 141 141 PRO HD3 H 1 3.806 0.000 . 2 . . . A 141 PRO HD3 . 19726 1 1532 . 1 1 141 141 PRO CA C 13 60.840 0.000 . 1 . . . A 141 PRO CA . 19726 1 1533 . 1 1 142 142 ALA H H 1 7.921 0.002 . 1 . . . A 142 ALA H . 19726 1 1534 . 1 1 142 142 ALA HA H 1 4.107 0.001 . 1 . . . A 142 ALA HA . 19726 1 1535 . 1 1 142 142 ALA HB1 H 1 1.327 0.001 . 1 . . . A 142 ALA MB . 19726 1 1536 . 1 1 142 142 ALA HB2 H 1 1.327 0.001 . 1 . . . A 142 ALA MB . 19726 1 1537 . 1 1 142 142 ALA HB3 H 1 1.327 0.001 . 1 . . . A 142 ALA MB . 19726 1 1538 . 1 1 142 142 ALA CA C 13 51.154 0.000 . 1 . . . A 142 ALA CA . 19726 1 1539 . 1 1 142 142 ALA CB C 13 17.549 0.000 . 1 . . . A 142 ALA CB . 19726 1 1540 . 1 1 142 142 ALA N N 15 130.053 0.010 . 1 . . . A 142 ALA N . 19726 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 19726 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 700 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'HN-N, measured in 14 mg/ml Pf1 phage' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 19 '2D 1H-15N IPAP HSQC' . . . 19726 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 8 $PALES . . 19726 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 7 7 ASP N N 15 . . 1 1 7 7 ASP H H 1 . 0.15 . . 0.500 . . . 1 201 ASP N 1 201 ASP H 19726 1 2 DNH . 1 1 9 9 ILE N N 15 . . 1 1 9 9 ILE H H 1 . 8.25 . . 0.500 . . . 1 203 ILE N 1 203 ILE H 19726 1 3 DNH . 1 1 10 10 SER N N 15 . . 1 1 10 10 SER H H 1 . 0.53 . . 0.500 . . . 1 204 SER N 1 204 SER H 19726 1 4 DNH . 1 1 11 11 ILE N N 15 . . 1 1 11 11 ILE H H 1 . 1.79 . . 0.500 . . . 1 205 ILE N 1 205 ILE H 19726 1 5 DNH . 1 1 12 12 THR N N 15 . . 1 1 12 12 THR H H 1 . -1.90 . . 0.500 . . . 1 206 THR N 1 206 THR H 19726 1 6 DNH . 1 1 25 25 TYR N N 15 . . 1 1 25 25 TYR H H 1 . -1.70 . . 0.500 . . . 1 219 TYR N 1 219 TYR H 19726 1 7 DNH . 1 1 27 27 PHE N N 15 . . 1 1 27 27 PHE H H 1 . 5.09 . . 0.500 . . . 1 221 PHE N 1 221 PHE H 19726 1 8 DNH . 1 1 28 28 VAL N N 15 . . 1 1 28 28 VAL H H 1 . 0.37 . . 0.500 . . . 1 222 VAL N 1 222 VAL H 19726 1 9 DNH . 1 1 29 29 GLY N N 15 . . 1 1 29 29 GLY H H 1 . -8.21 . . 0.500 . . . 1 223 GLY N 1 223 GLY H 19726 1 10 DNH . 1 1 30 30 ARG N N 15 . . 1 1 30 30 ARG H H 1 . 0.85 . . 0.500 . . . 1 224 ARG N 1 224 ARG H 19726 1 11 DNH . 1 1 32 32 LEU N N 15 . . 1 1 32 32 LEU H H 1 . -3.77 . . 0.500 . . . 1 226 LEU N 1 226 LEU H 19726 1 12 DNH . 1 1 37 37 MET N N 15 . . 1 1 37 37 MET H H 1 . -10.01 . . 0.500 . . . 1 231 MET N 1 231 MET H 19726 1 13 DNH . 1 1 39 39 ALA N N 15 . . 1 1 39 39 ALA H H 1 . 1.56 . . 0.500 . . . 1 233 ALA N 1 233 ALA H 19726 1 14 DNH . 1 1 42 42 LEU N N 15 . . 1 1 42 42 LEU H H 1 . 0.45 . . 0.500 . . . 1 236 LEU N 1 236 LEU H 19726 1 15 DNH . 1 1 43 43 GLU N N 15 . . 1 1 43 43 GLU H H 1 . -0.84 . . 0.500 . . . 1 237 GLU N 1 237 GLU H 19726 1 16 DNH . 1 1 45 45 ASP N N 15 . . 1 1 45 45 ASP H H 1 . -8.19 . . 0.500 . . . 1 239 ASP N 1 239 ASP H 19726 1 17 DNH . 1 1 47 47 GLY N N 15 . . 1 1 47 47 GLY H H 1 . -8.63 . . 0.500 . . . 1 241 GLY N 1 241 GLY H 19726 1 18 DNH . 1 1 50 50 ILE N N 15 . . 1 1 50 50 ILE H H 1 . 0.86 . . 0.500 . . . 1 244 ILE N 1 244 ILE H 19726 1 19 DNH . 1 1 53 53 ARG N N 15 . . 1 1 53 53 ARG H H 1 . 9.76 . . 0.500 . . . 1 247 ARG N 1 247 ARG H 19726 1 20 DNH . 1 1 82 82 VAL N N 15 . . 1 1 82 82 VAL H H 1 . 5.52 . . 0.500 . . . 1 276 VAL N 1 276 VAL H 19726 1 21 DNH . 1 1 85 85 GLN N N 15 . . 1 1 85 85 GLN H H 1 . -3.47 . . 0.500 . . . 1 279 GLN N 1 279 GLN H 19726 1 22 DNH . 1 1 87 87 GLU N N 15 . . 1 1 87 87 GLU H H 1 . -2.76 . . 0.500 . . . 1 281 GLU N 1 281 GLU H 19726 1 23 DNH . 1 1 89 89 THR N N 15 . . 1 1 89 89 THR H H 1 . 6.54 . . 0.500 . . . 1 283 THR N 1 283 THR H 19726 1 24 DNH . 1 1 95 95 ILE N N 15 . . 1 1 95 95 ILE H H 1 . -18.80 . . 0.500 . . . 1 289 ILE N 1 289 ILE H 19726 1 25 DNH . 1 1 99 99 ALA N N 15 . . 1 1 99 99 ALA H H 1 . -19.77 . . 1.000 . . . 1 293 ALA N 1 293 ALA H 19726 1 26 DNH . 1 1 100 100 ALA N N 15 . . 1 1 100 100 ALA H H 1 . -18.14 . . 1.000 . . . 1 294 ALA N 1 294 ALA H 19726 1 27 DNH . 1 1 105 105 LYS N N 15 . . 1 1 105 105 LYS H H 1 . -15.16 . . 0.500 . . . 1 299 LYS N 1 299 LYS H 19726 1 28 DNH . 1 1 106 106 LYS N N 15 . . 1 1 106 106 LYS H H 1 . -15.47 . . 0.500 . . . 1 300 LYS N 1 300 LYS H 19726 1 29 DNH . 1 1 107 107 LEU N N 15 . . 1 1 107 107 LEU H H 1 . -17.64 . . 0.500 . . . 1 301 LEU N 1 301 LEU H 19726 1 30 DNH . 1 1 121 121 LYS N N 15 . . 1 1 121 121 LYS H H 1 . 5.64 . . 0.500 . . . 1 315 LYS N 1 315 LYS H 19726 1 31 DNH . 1 1 125 125 GLU N N 15 . . 1 1 125 125 GLU H H 1 . 3.20 . . 0.500 . . . 1 319 GLU N 1 319 GLU H 19726 1 32 DNH . 1 1 126 126 LEU N N 15 . . 1 1 126 126 LEU H H 1 . 3.94 . . 0.500 . . . 1 320 LEU N 1 320 LEU H 19726 1 33 DNH . 1 1 127 127 ALA N N 15 . . 1 1 127 127 ALA H H 1 . 10.73 . . 0.500 . . . 1 321 ALA N 1 321 ALA H 19726 1 34 DNH . 1 1 130 130 ASN N N 15 . . 1 1 130 130 ASN H H 1 . 6.14 . . 0.500 . . . 1 324 ASN N 1 324 ASN H 19726 1 35 DNH . 1 1 131 131 GLY N N 15 . . 1 1 131 131 GLY H H 1 . 10.28 . . 0.500 . . . 1 325 GLY N 1 325 GLY H 19726 1 36 DNH . 1 1 132 132 THR N N 15 . . 1 1 132 132 THR H H 1 . -9.62 . . 0.500 . . . 1 326 THR N 1 326 THR H 19726 1 stop_ save_