data_5884 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5884 _Entry.Title ; Assignment of 1H, 13C and 15N resonances of the AXH domain of the transcription factor HBP1 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-07-28 _Entry.Accession_date 2003-07-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Cesira 'de Chiara' . . . 5884 2 Geoff Kelly . . . 5884 3 Thomas Frenkiel . A. . 5884 4 Annalisa Pastore . . . 5884 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5884 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 953 5884 '13C chemical shifts' 618 5884 '15N chemical shifts' 142 5884 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 . . 2005-02-28 . update author 'update of the chemical shifts' 5884 2 . . 2004-02-13 . original author 'original release' 5884 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5884 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14872137 _Citation.Full_citation . _Citation.Title ; Letter to Editor: Assignment of 1H, 13C and 15N resonances of the AXH domain of the transcription factor HBP1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 411 _Citation.Page_last 412 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cesira 'de Chiara' . . . 5884 1 2 Geoff Kelly . . . 5884 1 3 Thomas Frenkiel . A. . 5884 1 4 Annalisa Pastore . . . 5884 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HBP1 5884 1 'AXH module' 5884 1 SCA1 5884 1 'polyQ diseases' 5884 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HBP1_(AXH_domain) _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HBP1_(AXH_domain) _Assembly.Entry_ID 5884 _Assembly.ID 1 _Assembly.Name 'HMG box containing protein 1 (AXH domain only)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5884 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'AXH domain from HBP1' 1 $HBP1 . . . native . . . . . 5884 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . SMART SM00536 . . . . . . 5884 1 . EMBL Q8R316 . . . . . 'residues 208-345 only' 5884 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HMG box containing protein 1 (AXH domain only)' system 5884 1 'HBP1 (AXH domain)' abbreviation 5884 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'transcription factor' 5884 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HBP1 _Entity.Sf_category entity _Entity.Sf_framecode HBP1 _Entity.Entry_ID 5884 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HMG box containing protein 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PSTIWHCFLKGTRLCFHKES NKEWQDVEDFARAASCDNEE EIQMGTHKGYGSDGLKLLSH EESVSFGESVLKLTFDPGTV EDGLLTVECKLDHPFYVKNK GWSSFYPSLTVVQHGIPCCE IHIGDVCLPPGHPDAINF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The sequence 208-345 of HBP1 includes the AXH domain (SM00536) found in ataxin-1 and HMG containing protein 1. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1V06 . "Axh Domain Of The Transcription Factor Hbp1 From M.Musculus" . . . . . 100.00 142 100.00 100.00 5.73e-97 . . . . 5884 1 2 no DBJ BAC26060 . "unnamed protein product [Mus musculus]" . . . . . 100.00 464 100.00 100.00 1.58e-95 . . . . 5884 1 3 no DBJ BAC38611 . "unnamed protein product [Mus musculus]" . . . . . 100.00 339 100.00 100.00 2.53e-96 . . . . 5884 1 4 no DBJ BAE21520 . "unnamed protein product [Mus musculus]" . . . . . 100.00 516 100.00 100.00 3.26e-95 . . . . 5884 1 5 no DBJ BAE23919 . "unnamed protein product [Mus musculus]" . . . . . 100.00 474 100.00 100.00 2.28e-95 . . . . 5884 1 6 no DBJ BAE24968 . "unnamed protein product [Mus musculus]" . . . . . 100.00 473 100.00 100.00 1.46e-95 . . . . 5884 1 7 no GB AAA53240 . "HMG-box containing protein 1 [Rattus norvegicus]" . . . . . 100.00 513 97.10 98.55 4.39e-91 . . . . 5884 1 8 no GB AAH26853 . "High mobility group box transcription factor 1 [Mus musculus]" . . . . . 100.00 516 100.00 100.00 3.26e-95 . . . . 5884 1 9 no GB AAH91165 . "HMG-box transcription factor 1 [Rattus norvegicus]" . . . . . 100.00 513 97.83 98.55 2.30e-91 . . . . 5884 1 10 no GB EDL36901 . "high mobility group box transcription factor 1, isoform CRA_a [Mus musculus]" . . . . . 100.00 478 100.00 100.00 1.77e-95 . . . . 5884 1 11 no GB EDL36902 . "high mobility group box transcription factor 1, isoform CRA_b [Mus musculus]" . . . . . 100.00 534 100.00 100.00 3.79e-95 . . . . 5884 1 12 no REF NP_037353 . "HMG box-containing protein 1 [Rattus norvegicus]" . . . . . 100.00 523 97.83 98.55 2.71e-91 . . . . 5884 1 13 no REF NP_694878 . "HMG box-containing protein 1 isoform 1 [Mus musculus]" . . . . . 100.00 526 100.00 100.00 3.21e-95 . . . . 5884 1 14 no REF NP_818774 . "HMG box-containing protein 1 isoform 2 [Mus musculus]" . . . . . 100.00 474 100.00 100.00 1.63e-95 . . . . 5884 1 15 no REF XP_005343929 . "PREDICTED: HMG box-containing protein 1 [Microtus ochrogaster]" . . . . . 100.00 551 97.10 98.55 1.18e-92 . . . . 5884 1 16 no REF XP_006240037 . "PREDICTED: HMG box-containing protein 1 isoform X1 [Rattus norvegicus]" . . . . . 100.00 525 97.83 98.55 2.36e-91 . . . . 5884 1 17 no SP Q62661 . "RecName: Full=HMG box-containing protein 1; AltName: Full=HMG box transcription factor 1; AltName: Full=High mobility group box" . . . . . 100.00 513 97.83 98.55 2.30e-91 . . . . 5884 1 18 no SP Q8R316 . "RecName: Full=HMG box-containing protein 1; AltName: Full=HMG box transcription factor 1; AltName: Full=High mobility group box" . . . . . 100.00 516 100.00 100.00 3.26e-95 . . . . 5884 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HMG box containing protein 1' common 5884 1 HBP1 abbreviation 5884 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 1 208 PRO . 5884 1 2 209 SER . 5884 1 3 210 THR . 5884 1 4 211 ILE . 5884 1 5 212 TRP . 5884 1 6 213 HIS . 5884 1 7 214 CYS . 5884 1 8 215 PHE . 5884 1 9 216 LEU . 5884 1 10 217 LYS . 5884 1 11 218 GLY . 5884 1 12 219 THR . 5884 1 13 220 ARG . 5884 1 14 221 LEU . 5884 1 15 222 CYS . 5884 1 16 223 PHE . 5884 1 17 224 HIS . 5884 1 18 225 LYS . 5884 1 19 226 GLU . 5884 1 20 227 SER . 5884 1 21 228 ASN . 5884 1 22 229 LYS . 5884 1 23 230 GLU . 5884 1 24 231 TRP . 5884 1 25 232 GLN . 5884 1 26 233 ASP . 5884 1 27 234 VAL . 5884 1 28 235 GLU . 5884 1 29 236 ASP . 5884 1 30 237 PHE . 5884 1 31 238 ALA . 5884 1 32 239 ARG . 5884 1 33 240 ALA . 5884 1 34 241 ALA . 5884 1 35 242 SER . 5884 1 36 243 CYS . 5884 1 37 244 ASP . 5884 1 38 245 ASN . 5884 1 39 246 GLU . 5884 1 40 247 GLU . 5884 1 41 248 GLU . 5884 1 42 249 ILE . 5884 1 43 250 GLN . 5884 1 44 251 MET . 5884 1 45 252 GLY . 5884 1 46 253 THR . 5884 1 47 254 HIS . 5884 1 48 255 LYS . 5884 1 49 256 GLY . 5884 1 50 257 TYR . 5884 1 51 258 GLY . 5884 1 52 259 SER . 5884 1 53 260 ASP . 5884 1 54 261 GLY . 5884 1 55 262 LEU . 5884 1 56 263 LYS . 5884 1 57 264 LEU . 5884 1 58 265 LEU . 5884 1 59 266 SER . 5884 1 60 267 HIS . 5884 1 61 268 GLU . 5884 1 62 269 GLU . 5884 1 63 270 SER . 5884 1 64 271 VAL . 5884 1 65 272 SER . 5884 1 66 273 PHE . 5884 1 67 274 GLY . 5884 1 68 275 GLU . 5884 1 69 276 SER . 5884 1 70 277 VAL . 5884 1 71 278 LEU . 5884 1 72 279 LYS . 5884 1 73 280 LEU . 5884 1 74 281 THR . 5884 1 75 282 PHE . 5884 1 76 283 ASP . 5884 1 77 284 PRO . 5884 1 78 285 GLY . 5884 1 79 286 THR . 5884 1 80 287 VAL . 5884 1 81 288 GLU . 5884 1 82 289 ASP . 5884 1 83 290 GLY . 5884 1 84 291 LEU . 5884 1 85 292 LEU . 5884 1 86 293 THR . 5884 1 87 294 VAL . 5884 1 88 295 GLU . 5884 1 89 296 CYS . 5884 1 90 297 LYS . 5884 1 91 298 LEU . 5884 1 92 299 ASP . 5884 1 93 300 HIS . 5884 1 94 301 PRO . 5884 1 95 302 PHE . 5884 1 96 303 TYR . 5884 1 97 304 VAL . 5884 1 98 305 LYS . 5884 1 99 306 ASN . 5884 1 100 307 LYS . 5884 1 101 308 GLY . 5884 1 102 309 TRP . 5884 1 103 310 SER . 5884 1 104 311 SER . 5884 1 105 312 PHE . 5884 1 106 313 TYR . 5884 1 107 314 PRO . 5884 1 108 315 SER . 5884 1 109 316 LEU . 5884 1 110 317 THR . 5884 1 111 318 VAL . 5884 1 112 319 VAL . 5884 1 113 320 GLN . 5884 1 114 321 HIS . 5884 1 115 322 GLY . 5884 1 116 323 ILE . 5884 1 117 324 PRO . 5884 1 118 325 CYS . 5884 1 119 326 CYS . 5884 1 120 327 GLU . 5884 1 121 328 ILE . 5884 1 122 329 HIS . 5884 1 123 330 ILE . 5884 1 124 331 GLY . 5884 1 125 332 ASP . 5884 1 126 333 VAL . 5884 1 127 334 CYS . 5884 1 128 335 LEU . 5884 1 129 336 PRO . 5884 1 130 337 PRO . 5884 1 131 338 GLY . 5884 1 132 339 HIS . 5884 1 133 340 PRO . 5884 1 134 341 ASP . 5884 1 135 342 ALA . 5884 1 136 343 ILE . 5884 1 137 344 ASN . 5884 1 138 345 PHE . 5884 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 . PRO 1 1 5884 1 . SER 2 2 5884 1 . THR 3 3 5884 1 . ILE 4 4 5884 1 . TRP 5 5 5884 1 . HIS 6 6 5884 1 . CYS 7 7 5884 1 . PHE 8 8 5884 1 . LEU 9 9 5884 1 . LYS 10 10 5884 1 . GLY 11 11 5884 1 . THR 12 12 5884 1 . ARG 13 13 5884 1 . LEU 14 14 5884 1 . CYS 15 15 5884 1 . PHE 16 16 5884 1 . HIS 17 17 5884 1 . LYS 18 18 5884 1 . GLU 19 19 5884 1 . SER 20 20 5884 1 . ASN 21 21 5884 1 . LYS 22 22 5884 1 . GLU 23 23 5884 1 . TRP 24 24 5884 1 . GLN 25 25 5884 1 . ASP 26 26 5884 1 . VAL 27 27 5884 1 . GLU 28 28 5884 1 . ASP 29 29 5884 1 . PHE 30 30 5884 1 . ALA 31 31 5884 1 . ARG 32 32 5884 1 . ALA 33 33 5884 1 . ALA 34 34 5884 1 . SER 35 35 5884 1 . CYS 36 36 5884 1 . ASP 37 37 5884 1 . ASN 38 38 5884 1 . GLU 39 39 5884 1 . GLU 40 40 5884 1 . GLU 41 41 5884 1 . ILE 42 42 5884 1 . GLN 43 43 5884 1 . MET 44 44 5884 1 . GLY 45 45 5884 1 . THR 46 46 5884 1 . HIS 47 47 5884 1 . LYS 48 48 5884 1 . GLY 49 49 5884 1 . TYR 50 50 5884 1 . GLY 51 51 5884 1 . SER 52 52 5884 1 . ASP 53 53 5884 1 . GLY 54 54 5884 1 . LEU 55 55 5884 1 . LYS 56 56 5884 1 . LEU 57 57 5884 1 . LEU 58 58 5884 1 . SER 59 59 5884 1 . HIS 60 60 5884 1 . GLU 61 61 5884 1 . GLU 62 62 5884 1 . SER 63 63 5884 1 . VAL 64 64 5884 1 . SER 65 65 5884 1 . PHE 66 66 5884 1 . GLY 67 67 5884 1 . GLU 68 68 5884 1 . SER 69 69 5884 1 . VAL 70 70 5884 1 . LEU 71 71 5884 1 . LYS 72 72 5884 1 . LEU 73 73 5884 1 . THR 74 74 5884 1 . PHE 75 75 5884 1 . ASP 76 76 5884 1 . PRO 77 77 5884 1 . GLY 78 78 5884 1 . THR 79 79 5884 1 . VAL 80 80 5884 1 . GLU 81 81 5884 1 . ASP 82 82 5884 1 . GLY 83 83 5884 1 . LEU 84 84 5884 1 . LEU 85 85 5884 1 . THR 86 86 5884 1 . VAL 87 87 5884 1 . GLU 88 88 5884 1 . CYS 89 89 5884 1 . LYS 90 90 5884 1 . LEU 91 91 5884 1 . ASP 92 92 5884 1 . HIS 93 93 5884 1 . PRO 94 94 5884 1 . PHE 95 95 5884 1 . TYR 96 96 5884 1 . VAL 97 97 5884 1 . LYS 98 98 5884 1 . ASN 99 99 5884 1 . LYS 100 100 5884 1 . GLY 101 101 5884 1 . TRP 102 102 5884 1 . SER 103 103 5884 1 . SER 104 104 5884 1 . PHE 105 105 5884 1 . TYR 106 106 5884 1 . PRO 107 107 5884 1 . SER 108 108 5884 1 . LEU 109 109 5884 1 . THR 110 110 5884 1 . VAL 111 111 5884 1 . VAL 112 112 5884 1 . GLN 113 113 5884 1 . HIS 114 114 5884 1 . GLY 115 115 5884 1 . ILE 116 116 5884 1 . PRO 117 117 5884 1 . CYS 118 118 5884 1 . CYS 119 119 5884 1 . GLU 120 120 5884 1 . ILE 121 121 5884 1 . HIS 122 122 5884 1 . ILE 123 123 5884 1 . GLY 124 124 5884 1 . ASP 125 125 5884 1 . VAL 126 126 5884 1 . CYS 127 127 5884 1 . LEU 128 128 5884 1 . PRO 129 129 5884 1 . PRO 130 130 5884 1 . GLY 131 131 5884 1 . HIS 132 132 5884 1 . PRO 133 133 5884 1 . ASP 134 134 5884 1 . ALA 135 135 5884 1 . ILE 136 136 5884 1 . ASN 137 137 5884 1 . PHE 138 138 5884 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5884 _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 $HBP1 . 10090 . . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 5884 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 5884 _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 $HBP1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5884 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5884 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HMG box containing protein 1' '[U-99% 15N; U-99% 13C]' . . 1 $HBP1 . . 0.7 . . mM . . . . 5884 1 2 'Tris HCl' . . . . . . . 20 . . mM . . . . 5884 1 3 NaCl . . . . . . . 10 . . mM . . . . 5884 1 4 H2O . . . . . . . 90 . . % . . . . 5884 1 5 D2O . . . . . . . 10 . . % . . . . 5884 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5884 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HMG box containing protein 1' '[U-99% 15N]' . . 1 $HBP1 . . 0.6 . . mM . . . . 5884 2 2 'Tris HCl' . . . . . . . 20 . . mM . . . . 5884 2 3 NaCl . . . . . . . 10 . . mM . . . . 5884 2 4 H2O . . . . . . . 90 . . % . . . . 5884 2 5 D2O . . . . . . . 10 . . % . . . . 5884 2 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5884 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 n/a 5884 1 temperature 303 1 K 5884 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5884 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5884 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5884 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5884 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5884 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . 5884 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 5884 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 5884 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5884 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 H2O protons . . . . ppm 4.725 internal direct . . . . . . 1.0 . . . 5884 1 N 15 H2O protons . . . . ppm 0.0 . indirect . . . . . . 0.101329118 . . . 5884 1 C 13 H2O protons . . . . ppm 0.0 . indirect . . . . . . 0.251449530 . . . 5884 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5884 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5884 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO CA C 13 62.653 0.000 . 1 . . . . . . . . 5884 1 2 . 1 1 1 1 PRO HA H 1 4.479 0.000 . 1 . . . . . . . . 5884 1 3 . 1 1 1 1 PRO C C 13 176.171 0.000 . 1 . . . . . . . . 5884 1 4 . 1 1 1 1 PRO CB C 13 31.850 0.000 . 1 . . . . . . . . 5884 1 5 . 1 1 1 1 PRO HB2 H 1 2.040 0.000 . 1 . . . . . . . . 5884 1 6 . 1 1 1 1 PRO HB3 H 1 1.740 0.000 . 1 . . . . . . . . 5884 1 7 . 1 1 1 1 PRO CG C 13 27.008 0.000 . 1 . . . . . . . . 5884 1 8 . 1 1 1 1 PRO HG2 H 1 1.727 0.000 . 1 . . . . . . . . 5884 1 9 . 1 1 1 1 PRO HG3 H 1 1.554 0.000 . 1 . . . . . . . . 5884 1 10 . 1 1 1 1 PRO CD C 13 49.862 0.000 . 1 . . . . . . . . 5884 1 11 . 1 1 1 1 PRO HD2 H 1 3.499 0.000 . 1 . . . . . . . . 5884 1 12 . 1 1 1 1 PRO HD3 H 1 3.323 0.000 . 1 . . . . . . . . 5884 1 13 . 1 1 2 2 SER H H 1 8.553 0.000 . 1 . . . . . . . . 5884 1 14 . 1 1 2 2 SER N N 15 116.967 0.000 . 1 . . . . . . . . 5884 1 15 . 1 1 2 2 SER CA C 13 57.863 0.000 . 1 . . . . . . . . 5884 1 16 . 1 1 2 2 SER HA H 1 4.576 0.000 . 1 . . . . . . . . 5884 1 17 . 1 1 2 2 SER C C 13 173.949 0.000 . 1 . . . . . . . . 5884 1 18 . 1 1 2 2 SER CB C 13 62.875 0.000 . 1 . . . . . . . . 5884 1 19 . 1 1 2 2 SER HB2 H 1 3.964 0.000 . 1 . . . . . . . . 5884 1 20 . 1 1 2 2 SER HB3 H 1 3.855 0.000 . 1 . . . . . . . . 5884 1 21 . 1 1 3 3 THR H H 1 7.855 0.000 . 1 . . . . . . . . 5884 1 22 . 1 1 3 3 THR N N 15 115.467 0.000 . 1 . . . . . . . . 5884 1 23 . 1 1 3 3 THR CA C 13 61.026 0.000 . 1 . . . . . . . . 5884 1 24 . 1 1 3 3 THR HA H 1 4.178 0.000 . 1 . . . . . . . . 5884 1 25 . 1 1 3 3 THR C C 13 174.402 0.000 . 1 . . . . . . . . 5884 1 26 . 1 1 3 3 THR CB C 13 69.178 0.000 . 1 . . . . . . . . 5884 1 27 . 1 1 3 3 THR HB H 1 4.219 0.000 . 1 . . . . . . . . 5884 1 28 . 1 1 3 3 THR CG2 C 13 22.657 0.000 . 1 . . . . . . . . 5884 1 29 . 1 1 3 3 THR HG21 H 1 1.124 0.000 . 1 . . . . . . . . 5884 1 30 . 1 1 3 3 THR HG22 H 1 1.124 0.000 . 1 . . . . . . . . 5884 1 31 . 1 1 3 3 THR HG23 H 1 1.124 0.000 . 1 . . . . . . . . 5884 1 32 . 1 1 4 4 ILE H H 1 9.027 0.000 . 1 . . . . . . . . 5884 1 33 . 1 1 4 4 ILE N N 15 121.275 0.000 . 1 . . . . . . . . 5884 1 34 . 1 1 4 4 ILE CA C 13 60.118 0.000 . 1 . . . . . . . . 5884 1 35 . 1 1 4 4 ILE HA H 1 4.339 0.000 . 1 . . . . . . . . 5884 1 36 . 1 1 4 4 ILE C C 13 176.215 0.000 . 1 . . . . . . . . 5884 1 37 . 1 1 4 4 ILE CB C 13 37.743 0.000 . 1 . . . . . . . . 5884 1 38 . 1 1 4 4 ILE HB H 1 2.011 0.000 . 1 . . . . . . . . 5884 1 39 . 1 1 4 4 ILE CG2 C 13 18.944 0.000 . 1 . . . . . . . . 5884 1 40 . 1 1 4 4 ILE HG21 H 1 1.080 0.000 . 1 . . . . . . . . 5884 1 41 . 1 1 4 4 ILE HG22 H 1 1.080 0.000 . 1 . . . . . . . . 5884 1 42 . 1 1 4 4 ILE HG23 H 1 1.080 0.000 . 1 . . . . . . . . 5884 1 43 . 1 1 4 4 ILE CG1 C 13 27.295 0.000 . 1 . . . . . . . . 5884 1 44 . 1 1 4 4 ILE HG12 H 1 1.821 0.000 . 1 . . . . . . . . 5884 1 45 . 1 1 4 4 ILE HG13 H 1 1.410 0.000 . 1 . . . . . . . . 5884 1 46 . 1 1 4 4 ILE CD1 C 13 9.589 0.000 . 1 . . . . . . . . 5884 1 47 . 1 1 4 4 ILE HD11 H 1 0.883 0.000 . 1 . . . . . . . . 5884 1 48 . 1 1 4 4 ILE HD12 H 1 0.883 0.000 . 1 . . . . . . . . 5884 1 49 . 1 1 4 4 ILE HD13 H 1 0.883 0.000 . 1 . . . . . . . . 5884 1 50 . 1 1 5 5 TRP H H 1 7.173 0.000 . 1 . . . . . . . . 5884 1 51 . 1 1 5 5 TRP N N 15 118.514 0.000 . 1 . . . . . . . . 5884 1 52 . 1 1 5 5 TRP CA C 13 58.791 0.000 . 1 . . . . . . . . 5884 1 53 . 1 1 5 5 TRP HA H 1 4.568 0.000 . 1 . . . . . . . . 5884 1 54 . 1 1 5 5 TRP C C 13 174.103 0.000 . 1 . . . . . . . . 5884 1 55 . 1 1 5 5 TRP CB C 13 30.774 0.000 . 1 . . . . . . . . 5884 1 56 . 1 1 5 5 TRP HB2 H 1 3.495 0.000 . 1 . . . . . . . . 5884 1 57 . 1 1 5 5 TRP HB3 H 1 3.190 0.000 . 1 . . . . . . . . 5884 1 58 . 1 1 5 5 TRP CD1 C 13 126.768 0.000 . 1 . . . . . . . . 5884 1 59 . 1 1 5 5 TRP HD1 H 1 7.701 0.000 . 1 . . . . . . . . 5884 1 60 . 1 1 5 5 TRP NE1 N 15 130.782 0.000 . 1 . . . . . . . . 5884 1 61 . 1 1 5 5 TRP HE1 H 1 10.817 0.000 . 1 . . . . . . . . 5884 1 62 . 1 1 5 5 TRP CE3 C 13 121.814 0.000 . 1 . . . . . . . . 5884 1 63 . 1 1 5 5 TRP HE3 H 1 7.597 0.000 . 1 . . . . . . . . 5884 1 64 . 1 1 5 5 TRP CZ2 C 13 114.536 0.000 . 1 . . . . . . . . 5884 1 65 . 1 1 5 5 TRP HZ2 H 1 8.004 0.000 . 1 . . . . . . . . 5884 1 66 . 1 1 5 5 TRP CZ3 C 13 121.990 0.000 . 1 . . . . . . . . 5884 1 67 . 1 1 5 5 TRP HZ3 H 1 6.759 0.000 . 1 . . . . . . . . 5884 1 68 . 1 1 5 5 TRP CH2 C 13 123.851 0.000 . 1 . . . . . . . . 5884 1 69 . 1 1 5 5 TRP HH2 H 1 7.130 0.000 . 1 . . . . . . . . 5884 1 70 . 1 1 6 6 HIS H H 1 8.281 0.000 . 1 . . . . . . . . 5884 1 71 . 1 1 6 6 HIS N N 15 132.563 0.000 . 1 . . . . . . . . 5884 1 72 . 1 1 6 6 HIS CA C 13 59.867 0.000 . 1 . . . . . . . . 5884 1 73 . 1 1 6 6 HIS HA H 1 3.167 0.000 . 1 . . . . . . . . 5884 1 74 . 1 1 6 6 HIS C C 13 174.768 0.000 . 1 . . . . . . . . 5884 1 75 . 1 1 6 6 HIS CB C 13 29.397 0.000 . 1 . . . . . . . . 5884 1 76 . 1 1 6 6 HIS HB2 H 1 2.873 0.000 . 1 . . . . . . . . 5884 1 77 . 1 1 6 6 HIS HB3 H 1 0.857 0.000 . 1 . . . . . . . . 5884 1 78 . 1 1 6 6 HIS CD2 C 13 117.813 0.000 . 1 . . . . . . . . 5884 1 79 . 1 1 6 6 HIS HD2 H 1 6.963 0.000 . 1 . . . . . . . . 5884 1 80 . 1 1 6 6 HIS CE1 C 13 134.588 0.000 . 1 . . . . . . . . 5884 1 81 . 1 1 6 6 HIS HE1 H 1 6.990 0.000 . 1 . . . . . . . . 5884 1 82 . 1 1 7 7 CYS H H 1 9.915 0.000 . 1 . . . . . . . . 5884 1 83 . 1 1 7 7 CYS N N 15 123.576 0.000 . 1 . . . . . . . . 5884 1 84 . 1 1 7 7 CYS CA C 13 57.504 0.000 . 1 . . . . . . . . 5884 1 85 . 1 1 7 7 CYS HA H 1 4.673 0.000 . 1 . . . . . . . . 5884 1 86 . 1 1 7 7 CYS C C 13 173.638 0.000 . 1 . . . . . . . . 5884 1 87 . 1 1 7 7 CYS CB C 13 28.940 0.000 . 1 . . . . . . . . 5884 1 88 . 1 1 7 7 CYS HB2 H 1 3.447 0.000 . 1 . . . . . . . . 5884 1 89 . 1 1 7 7 CYS HB3 H 1 2.839 0.000 . 1 . . . . . . . . 5884 1 90 . 1 1 8 8 PHE H H 1 8.442 0.000 . 1 . . . . . . . . 5884 1 91 . 1 1 8 8 PHE N N 15 121.261 0.000 . 1 . . . . . . . . 5884 1 92 . 1 1 8 8 PHE CA C 13 59.909 0.000 . 1 . . . . . . . . 5884 1 93 . 1 1 8 8 PHE HA H 1 5.432 0.000 . 1 . . . . . . . . 5884 1 94 . 1 1 8 8 PHE C C 13 176.601 0.000 . 1 . . . . . . . . 5884 1 95 . 1 1 8 8 PHE CB C 13 40.544 0.000 . 1 . . . . . . . . 5884 1 96 . 1 1 8 8 PHE HB2 H 1 3.534 0.000 . 1 . . . . . . . . 5884 1 97 . 1 1 8 8 PHE HB3 H 1 3.534 0.000 . 1 . . . . . . . . 5884 1 98 . 1 1 8 8 PHE CD1 C 13 132.565 0.000 . 1 . . . . . . . . 5884 1 99 . 1 1 8 8 PHE HD1 H 1 7.532 0.000 . 1 . . . . . . . . 5884 1 100 . 1 1 8 8 PHE CD2 C 13 132.565 0.000 . 1 . . . . . . . . 5884 1 101 . 1 1 8 8 PHE HD2 H 1 7.532 0.000 . 1 . . . . . . . . 5884 1 102 . 1 1 8 8 PHE CE1 C 13 131.079 0.000 . 1 . . . . . . . . 5884 1 103 . 1 1 8 8 PHE HE1 H 1 6.941 0.000 . 1 . . . . . . . . 5884 1 104 . 1 1 8 8 PHE CE2 C 13 131.079 0.000 . 1 . . . . . . . . 5884 1 105 . 1 1 8 8 PHE HE2 H 1 6.941 0.000 . 1 . . . . . . . . 5884 1 106 . 1 1 8 8 PHE CZ C 13 128.944 0.000 . 1 . . . . . . . . 5884 1 107 . 1 1 8 8 PHE HZ H 1 6.322 0.000 . 1 . . . . . . . . 5884 1 108 . 1 1 9 9 LEU H H 1 11.088 0.000 . 1 . . . . . . . . 5884 1 109 . 1 1 9 9 LEU N N 15 125.545 0.000 . 1 . . . . . . . . 5884 1 110 . 1 1 9 9 LEU CA C 13 54.440 0.000 . 1 . . . . . . . . 5884 1 111 . 1 1 9 9 LEU HA H 1 4.540 0.000 . 1 . . . . . . . . 5884 1 112 . 1 1 9 9 LEU C C 13 178.141 0.000 . 1 . . . . . . . . 5884 1 113 . 1 1 9 9 LEU CB C 13 43.440 0.000 . 1 . . . . . . . . 5884 1 114 . 1 1 9 9 LEU HB2 H 1 1.841 0.000 . 1 . . . . . . . . 5884 1 115 . 1 1 9 9 LEU HB3 H 1 1.785 0.000 . 1 . . . . . . . . 5884 1 116 . 1 1 9 9 LEU CG C 13 27.295 0.000 . 1 . . . . . . . . 5884 1 117 . 1 1 9 9 LEU CD1 C 13 23.420 0.000 . 1 . . . . . . . . 5884 1 118 . 1 1 9 9 LEU HD11 H 1 0.598 0.000 . 1 . . . . . . . . 5884 1 119 . 1 1 9 9 LEU HD12 H 1 0.598 0.000 . 1 . . . . . . . . 5884 1 120 . 1 1 9 9 LEU HD13 H 1 0.598 0.000 . 1 . . . . . . . . 5884 1 121 . 1 1 9 9 LEU CD2 C 13 25.422 0.000 . 1 . . . . . . . . 5884 1 122 . 1 1 9 9 LEU HD21 H 1 0.373 0.000 . 1 . . . . . . . . 5884 1 123 . 1 1 9 9 LEU HD22 H 1 0.373 0.000 . 1 . . . . . . . . 5884 1 124 . 1 1 9 9 LEU HD23 H 1 0.373 0.000 . 1 . . . . . . . . 5884 1 125 . 1 1 9 9 LEU HG H 1 1.427 0.000 . 1 . . . . . . . . 5884 1 126 . 1 1 10 10 LYS H H 1 8.716 0.000 . 1 . . . . . . . . 5884 1 127 . 1 1 10 10 LYS N N 15 120.548 0.000 . 1 . . . . . . . . 5884 1 128 . 1 1 10 10 LYS CA C 13 58.959 0.000 . 1 . . . . . . . . 5884 1 129 . 1 1 10 10 LYS HA H 1 4.026 0.000 . 1 . . . . . . . . 5884 1 130 . 1 1 10 10 LYS C C 13 176.242 0.000 . 1 . . . . . . . . 5884 1 131 . 1 1 10 10 LYS CB C 13 33.004 0.000 . 1 . . . . . . . . 5884 1 132 . 1 1 10 10 LYS HB2 H 1 1.933 0.000 . 1 . . . . . . . . 5884 1 133 . 1 1 10 10 LYS HB3 H 1 1.836 0.000 . 1 . . . . . . . . 5884 1 134 . 1 1 10 10 LYS CG C 13 25.154 0.000 . 1 . . . . . . . . 5884 1 135 . 1 1 10 10 LYS HG2 H 1 1.619 0.000 . 1 . . . . . . . . 5884 1 136 . 1 1 10 10 LYS HG3 H 1 1.481 0.000 . 1 . . . . . . . . 5884 1 137 . 1 1 10 10 LYS CD C 13 29.703 0.000 . 1 . . . . . . . . 5884 1 138 . 1 1 10 10 LYS HD2 H 1 1.760 0.000 . 1 . . . . . . . . 5884 1 139 . 1 1 10 10 LYS HD3 H 1 1.760 0.000 . 1 . . . . . . . . 5884 1 140 . 1 1 10 10 LYS CE C 13 42.013 0.000 . 1 . . . . . . . . 5884 1 141 . 1 1 10 10 LYS HE2 H 1 3.080 0.000 . 1 . . . . . . . . 5884 1 142 . 1 1 10 10 LYS HE3 H 1 3.080 0.000 . 1 . . . . . . . . 5884 1 143 . 1 1 11 11 GLY H H 1 9.712 0.000 . 1 . . . . . . . . 5884 1 144 . 1 1 11 11 GLY N N 15 114.872 0.000 . 1 . . . . . . . . 5884 1 145 . 1 1 11 11 GLY CA C 13 44.956 0.000 . 1 . . . . . . . . 5884 1 146 . 1 1 11 11 GLY HA2 H 1 4.420 0.000 . 1 . . . . . . . . 5884 1 147 . 1 1 11 11 GLY HA3 H 1 3.827 0.000 . 1 . . . . . . . . 5884 1 148 . 1 1 11 11 GLY C C 13 174.576 0.000 . 1 . . . . . . . . 5884 1 149 . 1 1 12 12 THR H H 1 7.699 0.000 . 1 . . . . . . . . 5884 1 150 . 1 1 12 12 THR N N 15 118.438 0.000 . 1 . . . . . . . . 5884 1 151 . 1 1 12 12 THR CA C 13 63.984 0.000 . 1 . . . . . . . . 5884 1 152 . 1 1 12 12 THR HA H 1 4.908 0.000 . 1 . . . . . . . . 5884 1 153 . 1 1 12 12 THR C C 13 173.640 0.000 . 1 . . . . . . . . 5884 1 154 . 1 1 12 12 THR CB C 13 69.254 0.000 . 1 . . . . . . . . 5884 1 155 . 1 1 12 12 THR HB H 1 4.139 0.000 . 1 . . . . . . . . 5884 1 156 . 1 1 12 12 THR HG1 H 1 6.493 0.000 . 1 . . . . . . . . 5884 1 157 . 1 1 12 12 THR CG2 C 13 22.568 0.000 . 1 . . . . . . . . 5884 1 158 . 1 1 12 12 THR HG21 H 1 1.217 0.000 . 1 . . . . . . . . 5884 1 159 . 1 1 12 12 THR HG22 H 1 1.217 0.000 . 1 . . . . . . . . 5884 1 160 . 1 1 12 12 THR HG23 H 1 1.217 0.000 . 1 . . . . . . . . 5884 1 161 . 1 1 13 13 ARG H H 1 8.951 0.000 . 1 . . . . . . . . 5884 1 162 . 1 1 13 13 ARG N N 15 125.487 0.000 . 1 . . . . . . . . 5884 1 163 . 1 1 13 13 ARG CA C 13 54.695 0.000 . 1 . . . . . . . . 5884 1 164 . 1 1 13 13 ARG HA H 1 5.290 0.000 . 1 . . . . . . . . 5884 1 165 . 1 1 13 13 ARG C C 13 174.824 0.000 . 1 . . . . . . . . 5884 1 166 . 1 1 13 13 ARG CB C 13 34.520 0.000 . 1 . . . . . . . . 5884 1 167 . 1 1 13 13 ARG HB2 H 1 1.788 0.000 . 1 . . . . . . . . 5884 1 168 . 1 1 13 13 ARG HB3 H 1 1.636 0.000 . 1 . . . . . . . . 5884 1 169 . 1 1 13 13 ARG CG C 13 27.473 0.000 . 1 . . . . . . . . 5884 1 170 . 1 1 13 13 ARG HG2 H 1 1.734 0.000 . 1 . . . . . . . . 5884 1 171 . 1 1 13 13 ARG HG3 H 1 1.614 0.000 . 1 . . . . . . . . 5884 1 172 . 1 1 13 13 ARG CD C 13 43.975 0.000 . 1 . . . . . . . . 5884 1 173 . 1 1 13 13 ARG HD2 H 1 3.088 0.000 . 1 . . . . . . . . 5884 1 174 . 1 1 13 13 ARG HD3 H 1 3.088 0.000 . 1 . . . . . . . . 5884 1 175 . 1 1 13 13 ARG NE N 15 82.950 0.000 . 1 . . . . . . . . 5884 1 176 . 1 1 13 13 ARG HE H 1 6.998 0.000 . 1 . . . . . . . . 5884 1 177 . 1 1 14 14 LEU H H 1 9.544 0.000 . 1 . . . . . . . . 5884 1 178 . 1 1 14 14 LEU N N 15 120.343 0.000 . 1 . . . . . . . . 5884 1 179 . 1 1 14 14 LEU CA C 13 54.288 0.000 . 1 . . . . . . . . 5884 1 180 . 1 1 14 14 LEU HA H 1 4.635 0.000 . 1 . . . . . . . . 5884 1 181 . 1 1 14 14 LEU C C 13 175.795 0.000 . 1 . . . . . . . . 5884 1 182 . 1 1 14 14 LEU CB C 13 45.045 0.000 . 1 . . . . . . . . 5884 1 183 . 1 1 14 14 LEU HB2 H 1 1.488 0.000 . 1 . . . . . . . . 5884 1 184 . 1 1 14 14 LEU HB3 H 1 0.730 0.000 . 1 . . . . . . . . 5884 1 185 . 1 1 14 14 LEU CG C 13 27.415 0.000 . 1 . . . . . . . . 5884 1 186 . 1 1 14 14 LEU CD1 C 13 27.177 0.000 . 1 . . . . . . . . 5884 1 187 . 1 1 14 14 LEU HD11 H 1 0.362 0.000 . 1 . . . . . . . . 5884 1 188 . 1 1 14 14 LEU HD12 H 1 0.362 0.000 . 1 . . . . . . . . 5884 1 189 . 1 1 14 14 LEU HD13 H 1 0.362 0.000 . 1 . . . . . . . . 5884 1 190 . 1 1 14 14 LEU CD2 C 13 24.173 0.000 . 1 . . . . . . . . 5884 1 191 . 1 1 14 14 LEU HD21 H 1 0.341 0.000 . 1 . . . . . . . . 5884 1 192 . 1 1 14 14 LEU HD22 H 1 0.341 0.000 . 1 . . . . . . . . 5884 1 193 . 1 1 14 14 LEU HD23 H 1 0.341 0.000 . 1 . . . . . . . . 5884 1 194 . 1 1 14 14 LEU HG H 1 1.366 0.000 . 1 . . . . . . . . 5884 1 195 . 1 1 15 15 CYS H H 1 8.819 0.000 . 1 . . . . . . . . 5884 1 196 . 1 1 15 15 CYS N N 15 123.200 0.000 . 1 . . . . . . . . 5884 1 197 . 1 1 15 15 CYS CA C 13 54.946 0.000 . 1 . . . . . . . . 5884 1 198 . 1 1 15 15 CYS HA H 1 4.478 0.000 . 1 . . . . . . . . 5884 1 199 . 1 1 15 15 CYS C C 13 173.287 0.000 . 1 . . . . . . . . 5884 1 200 . 1 1 15 15 CYS CB C 13 41.031 0.000 . 1 . . . . . . . . 5884 1 201 . 1 1 15 15 CYS HB2 H 1 1.979 0.000 . 1 . . . . . . . . 5884 1 202 . 1 1 15 15 CYS HB3 H 1 0.985 0.000 . 1 . . . . . . . . 5884 1 203 . 1 1 16 16 PHE H H 1 8.622 0.000 . 1 . . . . . . . . 5884 1 204 . 1 1 16 16 PHE N N 15 128.763 0.000 . 1 . . . . . . . . 5884 1 205 . 1 1 16 16 PHE CA C 13 59.140 0.000 . 1 . . . . . . . . 5884 1 206 . 1 1 16 16 PHE HA H 1 4.421 0.000 . 1 . . . . . . . . 5884 1 207 . 1 1 16 16 PHE C C 13 176.683 0.000 . 1 . . . . . . . . 5884 1 208 . 1 1 16 16 PHE CB C 13 38.680 0.000 . 1 . . . . . . . . 5884 1 209 . 1 1 16 16 PHE HB2 H 1 3.186 0.000 . 1 . . . . . . . . 5884 1 210 . 1 1 16 16 PHE HB3 H 1 2.672 0.000 . 1 . . . . . . . . 5884 1 211 . 1 1 16 16 PHE CD1 C 13 131.479 0.000 . 1 . . . . . . . . 5884 1 212 . 1 1 16 16 PHE HD1 H 1 6.756 0.000 . 1 . . . . . . . . 5884 1 213 . 1 1 16 16 PHE CD2 C 13 131.479 0.000 . 1 . . . . . . . . 5884 1 214 . 1 1 16 16 PHE HD2 H 1 6.756 0.000 . 1 . . . . . . . . 5884 1 215 . 1 1 16 16 PHE CE1 C 13 131.061 0.000 . 1 . . . . . . . . 5884 1 216 . 1 1 16 16 PHE HE1 H 1 5.544 0.000 . 1 . . . . . . . . 5884 1 217 . 1 1 16 16 PHE CE2 C 13 131.061 0.000 . 1 . . . . . . . . 5884 1 218 . 1 1 16 16 PHE HE2 H 1 5.544 0.000 . 1 . . . . . . . . 5884 1 219 . 1 1 16 16 PHE CZ C 13 129.355 0.000 . 1 . . . . . . . . 5884 1 220 . 1 1 16 16 PHE HZ H 1 5.703 0.000 . 1 . . . . . . . . 5884 1 221 . 1 1 17 17 HIS H H 1 8.694 0.000 . 1 . . . . . . . . 5884 1 222 . 1 1 17 17 HIS N N 15 124.014 0.000 . 1 . . . . . . . . 5884 1 223 . 1 1 17 17 HIS CA C 13 59.000 0.000 . 1 . . . . . . . . 5884 1 224 . 1 1 17 17 HIS HA H 1 4.125 0.000 . 1 . . . . . . . . 5884 1 225 . 1 1 17 17 HIS C C 13 176.917 0.000 . 1 . . . . . . . . 5884 1 226 . 1 1 17 17 HIS CB C 13 30.994 0.000 . 1 . . . . . . . . 5884 1 227 . 1 1 17 17 HIS HB2 H 1 3.138 0.000 . 1 . . . . . . . . 5884 1 228 . 1 1 17 17 HIS HB3 H 1 3.138 0.000 . 1 . . . . . . . . 5884 1 229 . 1 1 17 17 HIS HD2 H 1 7.014 0.000 . 1 . . . . . . . . 5884 1 230 . 1 1 17 17 HIS CE1 C 13 137.169 0.000 . 1 . . . . . . . . 5884 1 231 . 1 1 17 17 HIS HE1 H 1 7.639 0.000 . 1 . . . . . . . . 5884 1 232 . 1 1 18 18 LYS H H 1 9.141 0.000 . 1 . . . . . . . . 5884 1 233 . 1 1 18 18 LYS N N 15 118.769 0.000 . 1 . . . . . . . . 5884 1 234 . 1 1 18 18 LYS CA C 13 57.482 0.000 . 1 . . . . . . . . 5884 1 235 . 1 1 18 18 LYS HA H 1 4.300 0.000 . 1 . . . . . . . . 5884 1 236 . 1 1 18 18 LYS C C 13 176.744 0.000 . 1 . . . . . . . . 5884 1 237 . 1 1 18 18 LYS CB C 13 33.162 0.000 . 1 . . . . . . . . 5884 1 238 . 1 1 18 18 LYS HB2 H 1 1.963 0.000 . 1 . . . . . . . . 5884 1 239 . 1 1 18 18 LYS HB3 H 1 1.918 0.000 . 1 . . . . . . . . 5884 1 240 . 1 1 18 18 LYS CG C 13 25.432 0.000 . 1 . . . . . . . . 5884 1 241 . 1 1 18 18 LYS HG2 H 1 1.511 0.000 . 1 . . . . . . . . 5884 1 242 . 1 1 18 18 LYS HG3 H 1 1.511 0.000 . 1 . . . . . . . . 5884 1 243 . 1 1 18 18 LYS CD C 13 29.610 0.000 . 1 . . . . . . . . 5884 1 244 . 1 1 18 18 LYS HD2 H 1 1.772 0.000 . 1 . . . . . . . . 5884 1 245 . 1 1 18 18 LYS HD3 H 1 1.772 0.000 . 1 . . . . . . . . 5884 1 246 . 1 1 18 18 LYS CE C 13 44.940 0.000 . 1 . . . . . . . . 5884 1 247 . 1 1 18 18 LYS HE2 H 1 3.080 0.000 . 1 . . . . . . . . 5884 1 248 . 1 1 18 18 LYS HE3 H 1 3.080 0.000 . 1 . . . . . . . . 5884 1 249 . 1 1 19 19 GLU H H 1 7.700 0.000 . 1 . . . . . . . . 5884 1 250 . 1 1 19 19 GLU N N 15 119.089 0.000 . 1 . . . . . . . . 5884 1 251 . 1 1 19 19 GLU CA C 13 55.839 0.000 . 1 . . . . . . . . 5884 1 252 . 1 1 19 19 GLU HA H 1 4.355 0.000 . 1 . . . . . . . . 5884 1 253 . 1 1 19 19 GLU C C 13 176.960 0.000 . 1 . . . . . . . . 5884 1 254 . 1 1 19 19 GLU CB C 13 29.846 0.000 . 1 . . . . . . . . 5884 1 255 . 1 1 19 19 GLU HB2 H 1 2.197 0.000 . 1 . . . . . . . . 5884 1 256 . 1 1 19 19 GLU HB3 H 1 1.994 0.000 . 1 . . . . . . . . 5884 1 257 . 1 1 19 19 GLU CG C 13 36.675 0.000 . 1 . . . . . . . . 5884 1 258 . 1 1 19 19 GLU HG2 H 1 2.360 0.000 . 1 . . . . . . . . 5884 1 259 . 1 1 19 19 GLU HG3 H 1 2.281 0.000 . 1 . . . . . . . . 5884 1 260 . 1 1 20 20 SER H H 1 8.253 0.000 . 1 . . . . . . . . 5884 1 261 . 1 1 20 20 SER N N 15 116.683 0.000 . 1 . . . . . . . . 5884 1 262 . 1 1 20 20 SER CA C 13 60.185 0.000 . 1 . . . . . . . . 5884 1 263 . 1 1 20 20 SER HA H 1 4.222 0.000 . 1 . . . . . . . . 5884 1 264 . 1 1 20 20 SER C C 13 175.137 0.000 . 1 . . . . . . . . 5884 1 265 . 1 1 20 20 SER CB C 13 63.162 0.000 . 1 . . . . . . . . 5884 1 266 . 1 1 20 20 SER HB2 H 1 3.926 0.000 . 1 . . . . . . . . 5884 1 267 . 1 1 20 20 SER HB3 H 1 3.926 0.000 . 1 . . . . . . . . 5884 1 268 . 1 1 21 21 ASN H H 1 8.386 0.000 . 1 . . . . . . . . 5884 1 269 . 1 1 21 21 ASN N N 15 119.394 0.000 . 1 . . . . . . . . 5884 1 270 . 1 1 21 21 ASN CA C 13 53.519 0.000 . 1 . . . . . . . . 5884 1 271 . 1 1 21 21 ASN HA H 1 4.652 0.000 . 1 . . . . . . . . 5884 1 272 . 1 1 21 21 ASN C C 13 174.894 0.000 . 1 . . . . . . . . 5884 1 273 . 1 1 21 21 ASN CB C 13 38.266 0.000 . 1 . . . . . . . . 5884 1 274 . 1 1 21 21 ASN HB2 H 1 2.832 0.000 . 1 . . . . . . . . 5884 1 275 . 1 1 21 21 ASN HB3 H 1 2.832 0.000 . 1 . . . . . . . . 5884 1 276 . 1 1 21 21 ASN ND2 N 15 113.629 0.000 . 1 . . . . . . . . 5884 1 277 . 1 1 21 21 ASN HD21 H 1 7.657 0.000 . 1 . . . . . . . . 5884 1 278 . 1 1 21 21 ASN HD22 H 1 6.945 0.000 . 1 . . . . . . . . 5884 1 279 . 1 1 22 22 LYS H H 1 7.958 0.000 . 1 . . . . . . . . 5884 1 280 . 1 1 22 22 LYS N N 15 119.997 0.000 . 1 . . . . . . . . 5884 1 281 . 1 1 22 22 LYS CA C 13 56.150 0.000 . 1 . . . . . . . . 5884 1 282 . 1 1 22 22 LYS HA H 1 4.154 0.000 . 1 . . . . . . . . 5884 1 283 . 1 1 22 22 LYS C C 13 175.145 0.000 . 1 . . . . . . . . 5884 1 284 . 1 1 22 22 LYS CB C 13 32.073 0.000 . 1 . . . . . . . . 5884 1 285 . 1 1 22 22 LYS HB2 H 1 1.753 0.000 . 1 . . . . . . . . 5884 1 286 . 1 1 22 22 LYS HB3 H 1 1.753 0.000 . 1 . . . . . . . . 5884 1 287 . 1 1 22 22 LYS CG C 13 24.956 0.000 . 1 . . . . . . . . 5884 1 288 . 1 1 22 22 LYS HG2 H 1 1.353 0.000 . 1 . . . . . . . . 5884 1 289 . 1 1 22 22 LYS HG3 H 1 1.353 0.000 . 1 . . . . . . . . 5884 1 290 . 1 1 22 22 LYS CD C 13 29.027 0.000 . 1 . . . . . . . . 5884 1 291 . 1 1 22 22 LYS HD2 H 1 1.574 0.000 . 1 . . . . . . . . 5884 1 292 . 1 1 22 22 LYS HD3 H 1 1.574 0.000 . 1 . . . . . . . . 5884 1 293 . 1 1 22 22 LYS CE C 13 42.191 0.000 . 1 . . . . . . . . 5884 1 294 . 1 1 22 22 LYS HE2 H 1 2.940 0.000 . 1 . . . . . . . . 5884 1 295 . 1 1 22 22 LYS HE3 H 1 2.940 0.000 . 1 . . . . . . . . 5884 1 296 . 1 1 23 23 GLU H H 1 7.796 0.000 . 1 . . . . . . . . 5884 1 297 . 1 1 23 23 GLU N N 15 119.212 0.000 . 1 . . . . . . . . 5884 1 298 . 1 1 23 23 GLU CA C 13 55.244 0.000 . 1 . . . . . . . . 5884 1 299 . 1 1 23 23 GLU HA H 1 4.266 0.000 . 1 . . . . . . . . 5884 1 300 . 1 1 23 23 GLU C C 13 175.279 0.000 . 1 . . . . . . . . 5884 1 301 . 1 1 23 23 GLU CB C 13 31.374 0.000 . 1 . . . . . . . . 5884 1 302 . 1 1 23 23 GLU HB2 H 1 2.053 0.000 . 1 . . . . . . . . 5884 1 303 . 1 1 23 23 GLU HB3 H 1 1.934 0.000 . 1 . . . . . . . . 5884 1 304 . 1 1 23 23 GLU CG C 13 36.227 0.000 . 1 . . . . . . . . 5884 1 305 . 1 1 23 23 GLU HG2 H 1 2.292 0.000 . 1 . . . . . . . . 5884 1 306 . 1 1 23 23 GLU HG3 H 1 2.204 0.000 . 1 . . . . . . . . 5884 1 307 . 1 1 24 24 TRP H H 1 8.184 0.000 . 1 . . . . . . . . 5884 1 308 . 1 1 24 24 TRP N N 15 122.074 0.000 . 1 . . . . . . . . 5884 1 309 . 1 1 24 24 TRP CA C 13 57.194 0.000 . 1 . . . . . . . . 5884 1 310 . 1 1 24 24 TRP HA H 1 4.599 0.000 . 1 . . . . . . . . 5884 1 311 . 1 1 24 24 TRP C C 13 177.139 0.000 . 1 . . . . . . . . 5884 1 312 . 1 1 24 24 TRP CB C 13 30.952 0.000 . 1 . . . . . . . . 5884 1 313 . 1 1 24 24 TRP HB2 H 1 3.107 0.000 . 1 . . . . . . . . 5884 1 314 . 1 1 24 24 TRP HB3 H 1 2.928 0.000 . 1 . . . . . . . . 5884 1 315 . 1 1 24 24 TRP CD1 C 13 127.877 0.000 . 1 . . . . . . . . 5884 1 316 . 1 1 24 24 TRP HD1 H 1 7.373 0.000 . 1 . . . . . . . . 5884 1 317 . 1 1 24 24 TRP NE1 N 15 129.567 0.000 . 1 . . . . . . . . 5884 1 318 . 1 1 24 24 TRP HE1 H 1 10.039 0.000 . 1 . . . . . . . . 5884 1 319 . 1 1 24 24 TRP CE3 C 13 120.115 0.000 . 1 . . . . . . . . 5884 1 320 . 1 1 24 24 TRP HE3 H 1 7.064 0.000 . 1 . . . . . . . . 5884 1 321 . 1 1 24 24 TRP CZ2 C 13 114.310 0.000 . 1 . . . . . . . . 5884 1 322 . 1 1 24 24 TRP HZ2 H 1 7.304 0.000 . 1 . . . . . . . . 5884 1 323 . 1 1 24 24 TRP CZ3 C 13 122.577 0.000 . 1 . . . . . . . . 5884 1 324 . 1 1 24 24 TRP HZ3 H 1 6.775 0.000 . 1 . . . . . . . . 5884 1 325 . 1 1 24 24 TRP CH2 C 13 123.430 0.000 . 1 . . . . . . . . 5884 1 326 . 1 1 24 24 TRP HH2 H 1 6.722 0.000 . 1 . . . . . . . . 5884 1 327 . 1 1 25 25 GLN H H 1 9.420 0.000 . 1 . . . . . . . . 5884 1 328 . 1 1 25 25 GLN N N 15 121.072 0.000 . 1 . . . . . . . . 5884 1 329 . 1 1 25 25 GLN CA C 13 54.442 0.000 . 1 . . . . . . . . 5884 1 330 . 1 1 25 25 GLN HA H 1 4.874 0.000 . 1 . . . . . . . . 5884 1 331 . 1 1 25 25 GLN C C 13 175.653 0.000 . 1 . . . . . . . . 5884 1 332 . 1 1 25 25 GLN CB C 13 32.838 0.000 . 1 . . . . . . . . 5884 1 333 . 1 1 25 25 GLN HB2 H 1 2.215 0.000 . 1 . . . . . . . . 5884 1 334 . 1 1 25 25 GLN HB3 H 1 1.942 0.000 . 1 . . . . . . . . 5884 1 335 . 1 1 25 25 GLN CG C 13 34.692 0.000 . 1 . . . . . . . . 5884 1 336 . 1 1 25 25 GLN HG2 H 1 2.470 0.000 . 1 . . . . . . . . 5884 1 337 . 1 1 25 25 GLN HG3 H 1 2.415 0.000 . 1 . . . . . . . . 5884 1 338 . 1 1 25 25 GLN NE2 N 15 111.442 0.000 . 1 . . . . . . . . 5884 1 339 . 1 1 25 25 GLN HE21 H 1 7.702 0.000 . 1 . . . . . . . . 5884 1 340 . 1 1 25 25 GLN HE22 H 1 7.002 0.000 . 1 . . . . . . . . 5884 1 341 . 1 1 26 26 ASP H H 1 9.502 0.000 . 1 . . . . . . . . 5884 1 342 . 1 1 26 26 ASP N N 15 127.042 0.000 . 1 . . . . . . . . 5884 1 343 . 1 1 26 26 ASP CA C 13 55.392 0.000 . 1 . . . . . . . . 5884 1 344 . 1 1 26 26 ASP HA H 1 4.743 0.000 . 1 . . . . . . . . 5884 1 345 . 1 1 26 26 ASP C C 13 178.311 0.000 . 1 . . . . . . . . 5884 1 346 . 1 1 26 26 ASP CB C 13 42.637 0.000 . 1 . . . . . . . . 5884 1 347 . 1 1 26 26 ASP HB2 H 1 2.951 0.000 . 1 . . . . . . . . 5884 1 348 . 1 1 26 26 ASP HB3 H 1 2.815 0.000 . 1 . . . . . . . . 5884 1 349 . 1 1 27 27 VAL H H 1 8.651 0.000 . 1 . . . . . . . . 5884 1 350 . 1 1 27 27 VAL N N 15 125.464 0.000 . 1 . . . . . . . . 5884 1 351 . 1 1 27 27 VAL CA C 13 65.446 0.000 . 1 . . . . . . . . 5884 1 352 . 1 1 27 27 VAL HA H 1 4.076 0.000 . 1 . . . . . . . . 5884 1 353 . 1 1 27 27 VAL C C 13 175.286 0.000 . 1 . . . . . . . . 5884 1 354 . 1 1 27 27 VAL CB C 13 32.078 0.000 . 1 . . . . . . . . 5884 1 355 . 1 1 27 27 VAL HB H 1 2.205 0.000 . 1 . . . . . . . . 5884 1 356 . 1 1 27 27 VAL CG1 C 13 22.976 0.000 . 1 . . . . . . . . 5884 1 357 . 1 1 27 27 VAL HG11 H 1 1.521 0.000 . 1 . . . . . . . . 5884 1 358 . 1 1 27 27 VAL HG12 H 1 1.521 0.000 . 1 . . . . . . . . 5884 1 359 . 1 1 27 27 VAL HG13 H 1 1.521 0.000 . 1 . . . . . . . . 5884 1 360 . 1 1 27 27 VAL CG2 C 13 20.879 0.000 . 1 . . . . . . . . 5884 1 361 . 1 1 27 27 VAL HG21 H 1 1.428 0.000 . 1 . . . . . . . . 5884 1 362 . 1 1 27 27 VAL HG22 H 1 1.428 0.000 . 1 . . . . . . . . 5884 1 363 . 1 1 27 27 VAL HG23 H 1 1.428 0.000 . 1 . . . . . . . . 5884 1 364 . 1 1 28 28 GLU H H 1 9.127 0.000 . 1 . . . . . . . . 5884 1 365 . 1 1 28 28 GLU N N 15 121.711 0.000 . 1 . . . . . . . . 5884 1 366 . 1 1 28 28 GLU CA C 13 60.380 0.000 . 1 . . . . . . . . 5884 1 367 . 1 1 28 28 GLU HA H 1 4.112 0.000 . 1 . . . . . . . . 5884 1 368 . 1 1 28 28 GLU C C 13 179.185 0.000 . 1 . . . . . . . . 5884 1 369 . 1 1 28 28 GLU CB C 13 29.898 0.000 . 1 . . . . . . . . 5884 1 370 . 1 1 28 28 GLU HB2 H 1 2.284 0.000 . 1 . . . . . . . . 5884 1 371 . 1 1 28 28 GLU HB3 H 1 2.145 0.000 . 1 . . . . . . . . 5884 1 372 . 1 1 28 28 GLU CG C 13 38.841 0.000 . 1 . . . . . . . . 5884 1 373 . 1 1 28 28 GLU HG2 H 1 2.529 0.000 . 1 . . . . . . . . 5884 1 374 . 1 1 28 28 GLU HG3 H 1 2.469 0.000 . 1 . . . . . . . . 5884 1 375 . 1 1 29 29 ASP H H 1 7.573 0.000 . 1 . . . . . . . . 5884 1 376 . 1 1 29 29 ASP N N 15 120.200 0.000 . 1 . . . . . . . . 5884 1 377 . 1 1 29 29 ASP CA C 13 57.087 0.000 . 1 . . . . . . . . 5884 1 378 . 1 1 29 29 ASP HA H 1 4.545 0.000 . 1 . . . . . . . . 5884 1 379 . 1 1 29 29 ASP C C 13 178.684 0.000 . 1 . . . . . . . . 5884 1 380 . 1 1 29 29 ASP CB C 13 40.496 0.000 . 1 . . . . . . . . 5884 1 381 . 1 1 29 29 ASP HB2 H 1 2.971 0.000 . 1 . . . . . . . . 5884 1 382 . 1 1 29 29 ASP HB3 H 1 2.873 0.000 . 1 . . . . . . . . 5884 1 383 . 1 1 30 30 PHE H H 1 8.392 0.000 . 1 . . . . . . . . 5884 1 384 . 1 1 30 30 PHE N N 15 121.914 0.000 . 1 . . . . . . . . 5884 1 385 . 1 1 30 30 PHE CA C 13 61.517 0.000 . 1 . . . . . . . . 5884 1 386 . 1 1 30 30 PHE HA H 1 4.061 0.000 . 1 . . . . . . . . 5884 1 387 . 1 1 30 30 PHE C C 13 176.889 0.000 . 1 . . . . . . . . 5884 1 388 . 1 1 30 30 PHE CB C 13 39.604 0.000 . 1 . . . . . . . . 5884 1 389 . 1 1 30 30 PHE HB2 H 1 2.839 0.000 . 1 . . . . . . . . 5884 1 390 . 1 1 30 30 PHE HB3 H 1 2.839 0.000 . 1 . . . . . . . . 5884 1 391 . 1 1 30 30 PHE CD1 C 13 131.065 0.000 . 1 . . . . . . . . 5884 1 392 . 1 1 30 30 PHE HD1 H 1 6.579 0.000 . 1 . . . . . . . . 5884 1 393 . 1 1 30 30 PHE CD2 C 13 131.065 0.000 . 1 . . . . . . . . 5884 1 394 . 1 1 30 30 PHE HD2 H 1 6.579 0.000 . 1 . . . . . . . . 5884 1 395 . 1 1 30 30 PHE CE1 C 13 131.065 0.000 . 1 . . . . . . . . 5884 1 396 . 1 1 30 30 PHE HE1 H 1 6.078 0.000 . 1 . . . . . . . . 5884 1 397 . 1 1 30 30 PHE CE2 C 13 131.065 0.000 . 1 . . . . . . . . 5884 1 398 . 1 1 30 30 PHE HE2 H 1 6.078 0.000 . 1 . . . . . . . . 5884 1 399 . 1 1 30 30 PHE CZ C 13 129.342 0.000 . 1 . . . . . . . . 5884 1 400 . 1 1 30 30 PHE HZ H 1 6.373 0.000 . 1 . . . . . . . . 5884 1 401 . 1 1 31 31 ALA H H 1 8.425 0.000 . 1 . . . . . . . . 5884 1 402 . 1 1 31 31 ALA N N 15 119.932 0.000 . 1 . . . . . . . . 5884 1 403 . 1 1 31 31 ALA CA C 13 54.494 0.000 . 1 . . . . . . . . 5884 1 404 . 1 1 31 31 ALA HA H 1 3.928 0.000 . 1 . . . . . . . . 5884 1 405 . 1 1 31 31 ALA C C 13 179.589 0.000 . 1 . . . . . . . . 5884 1 406 . 1 1 31 31 ALA CB C 13 19.356 0.000 . 1 . . . . . . . . 5884 1 407 . 1 1 31 31 ALA HB1 H 1 1.673 0.000 . 1 . . . . . . . . 5884 1 408 . 1 1 31 31 ALA HB2 H 1 1.673 0.000 . 1 . . . . . . . . 5884 1 409 . 1 1 31 31 ALA HB3 H 1 1.673 0.000 . 1 . . . . . . . . 5884 1 410 . 1 1 32 32 ARG H H 1 7.589 0.000 . 1 . . . . . . . . 5884 1 411 . 1 1 32 32 ARG N N 15 117.315 0.000 . 1 . . . . . . . . 5884 1 412 . 1 1 32 32 ARG CA C 13 58.213 0.000 . 1 . . . . . . . . 5884 1 413 . 1 1 32 32 ARG HA H 1 4.157 0.000 . 1 . . . . . . . . 5884 1 414 . 1 1 32 32 ARG C C 13 177.896 0.000 . 1 . . . . . . . . 5884 1 415 . 1 1 32 32 ARG CB C 13 30.423 0.000 . 1 . . . . . . . . 5884 1 416 . 1 1 32 32 ARG HB2 H 1 2.003 0.000 . 1 . . . . . . . . 5884 1 417 . 1 1 32 32 ARG HB3 H 1 1.946 0.000 . 1 . . . . . . . . 5884 1 418 . 1 1 32 32 ARG CG C 13 27.921 0.000 . 1 . . . . . . . . 5884 1 419 . 1 1 32 32 ARG HG2 H 1 1.833 0.000 . 1 . . . . . . . . 5884 1 420 . 1 1 32 32 ARG HG3 H 1 1.704 0.000 . 1 . . . . . . . . 5884 1 421 . 1 1 32 32 ARG CD C 13 43.462 0.000 . 1 . . . . . . . . 5884 1 422 . 1 1 32 32 ARG HD2 H 1 3.300 0.000 . 1 . . . . . . . . 5884 1 423 . 1 1 32 32 ARG HD3 H 1 3.300 0.000 . 1 . . . . . . . . 5884 1 424 . 1 1 32 32 ARG NE N 15 84.582 0.000 . 1 . . . . . . . . 5884 1 425 . 1 1 32 32 ARG HE H 1 7.322 0.000 . 1 . . . . . . . . 5884 1 426 . 1 1 33 33 ALA H H 1 7.635 0.000 . 1 . . . . . . . . 5884 1 427 . 1 1 33 33 ALA N N 15 122.881 0.000 . 1 . . . . . . . . 5884 1 428 . 1 1 33 33 ALA CA C 13 53.624 0.000 . 1 . . . . . . . . 5884 1 429 . 1 1 33 33 ALA HA H 1 4.186 0.000 . 1 . . . . . . . . 5884 1 430 . 1 1 33 33 ALA C C 13 178.461 0.000 . 1 . . . . . . . . 5884 1 431 . 1 1 33 33 ALA CB C 13 18.554 0.000 . 1 . . . . . . . . 5884 1 432 . 1 1 33 33 ALA HB1 H 1 1.353 0.000 . 1 . . . . . . . . 5884 1 433 . 1 1 33 33 ALA HB2 H 1 1.353 0.000 . 1 . . . . . . . . 5884 1 434 . 1 1 33 33 ALA HB3 H 1 1.353 0.000 . 1 . . . . . . . . 5884 1 435 . 1 1 34 34 ALA H H 1 7.916 0.000 . 1 . . . . . . . . 5884 1 436 . 1 1 34 34 ALA N N 15 120.927 0.000 . 1 . . . . . . . . 5884 1 437 . 1 1 34 34 ALA CA C 13 52.805 0.000 . 1 . . . . . . . . 5884 1 438 . 1 1 34 34 ALA HA H 1 4.136 0.000 . 1 . . . . . . . . 5884 1 439 . 1 1 34 34 ALA C C 13 178.115 0.000 . 1 . . . . . . . . 5884 1 440 . 1 1 34 34 ALA CB C 13 18.732 0.000 . 1 . . . . . . . . 5884 1 441 . 1 1 34 34 ALA HB1 H 1 1.126 0.000 . 1 . . . . . . . . 5884 1 442 . 1 1 34 34 ALA HB2 H 1 1.126 0.000 . 1 . . . . . . . . 5884 1 443 . 1 1 34 34 ALA HB3 H 1 1.126 0.000 . 1 . . . . . . . . 5884 1 444 . 1 1 35 35 SER H H 1 7.798 0.000 . 1 . . . . . . . . 5884 1 445 . 1 1 35 35 SER N N 15 113.488 0.000 . 1 . . . . . . . . 5884 1 446 . 1 1 35 35 SER CA C 13 58.833 0.000 . 1 . . . . . . . . 5884 1 447 . 1 1 35 35 SER HA H 1 4.490 0.000 . 1 . . . . . . . . 5884 1 448 . 1 1 35 35 SER C C 13 174.530 0.000 . 1 . . . . . . . . 5884 1 449 . 1 1 35 35 SER CB C 13 63.642 0.000 . 1 . . . . . . . . 5884 1 450 . 1 1 35 35 SER HB2 H 1 3.995 0.000 . 1 . . . . . . . . 5884 1 451 . 1 1 35 35 SER HB3 H 1 3.995 0.000 . 1 . . . . . . . . 5884 1 452 . 1 1 36 36 CYS H H 1 8.033 0.000 . 1 . . . . . . . . 5884 1 453 . 1 1 36 36 CYS N N 15 120.534 0.000 . 1 . . . . . . . . 5884 1 454 . 1 1 36 36 CYS CA C 13 58.519 0.000 . 1 . . . . . . . . 5884 1 455 . 1 1 36 36 CYS HA H 1 4.540 0.000 . 1 . . . . . . . . 5884 1 456 . 1 1 36 36 CYS C C 13 174.263 0.000 . 1 . . . . . . . . 5884 1 457 . 1 1 36 36 CYS CB C 13 28.308 0.000 . 1 . . . . . . . . 5884 1 458 . 1 1 36 36 CYS HB2 H 1 2.984 0.000 . 1 . . . . . . . . 5884 1 459 . 1 1 36 36 CYS HB3 H 1 2.984 0.000 . 1 . . . . . . . . 5884 1 460 . 1 1 37 37 ASP H H 1 8.376 0.000 . 1 . . . . . . . . 5884 1 461 . 1 1 37 37 ASP N N 15 122.437 0.000 . 1 . . . . . . . . 5884 1 462 . 1 1 37 37 ASP CA C 13 54.679 0.000 . 1 . . . . . . . . 5884 1 463 . 1 1 37 37 ASP HA H 1 4.635 0.000 . 1 . . . . . . . . 5884 1 464 . 1 1 37 37 ASP C C 13 175.725 0.000 . 1 . . . . . . . . 5884 1 465 . 1 1 37 37 ASP CB C 13 41.129 0.000 . 1 . . . . . . . . 5884 1 466 . 1 1 37 37 ASP HB2 H 1 2.733 0.000 . 1 . . . . . . . . 5884 1 467 . 1 1 37 37 ASP HB3 H 1 2.649 0.000 . 1 . . . . . . . . 5884 1 468 . 1 1 38 38 ASN H H 1 8.184 0.000 . 1 . . . . . . . . 5884 1 469 . 1 1 38 38 ASN N N 15 118.519 0.000 . 1 . . . . . . . . 5884 1 470 . 1 1 38 38 ASN CA C 13 53.239 0.000 . 1 . . . . . . . . 5884 1 471 . 1 1 38 38 ASN HA H 1 4.759 0.000 . 1 . . . . . . . . 5884 1 472 . 1 1 38 38 ASN C C 13 175.351 0.000 . 1 . . . . . . . . 5884 1 473 . 1 1 38 38 ASN CB C 13 39.165 0.000 . 1 . . . . . . . . 5884 1 474 . 1 1 38 38 ASN HB2 H 1 2.880 0.000 . 1 . . . . . . . . 5884 1 475 . 1 1 38 38 ASN HB3 H 1 2.802 0.000 . 1 . . . . . . . . 5884 1 476 . 1 1 38 38 ASN ND2 N 15 112.461 0.000 . 1 . . . . . . . . 5884 1 477 . 1 1 38 38 ASN HD21 H 1 7.634 0.000 . 1 . . . . . . . . 5884 1 478 . 1 1 38 38 ASN HD22 H 1 6.959 0.000 . 1 . . . . . . . . 5884 1 479 . 1 1 39 39 GLU H H 1 8.517 0.000 . 1 . . . . . . . . 5884 1 480 . 1 1 39 39 GLU N N 15 121.304 0.000 . 1 . . . . . . . . 5884 1 481 . 1 1 39 39 GLU CA C 13 57.513 0.000 . 1 . . . . . . . . 5884 1 482 . 1 1 39 39 GLU HA H 1 4.208 0.000 . 1 . . . . . . . . 5884 1 483 . 1 1 39 39 GLU C C 13 176.896 0.000 . 1 . . . . . . . . 5884 1 484 . 1 1 39 39 GLU CB C 13 30.091 0.000 . 1 . . . . . . . . 5884 1 485 . 1 1 39 39 GLU HB2 H 1 2.113 0.000 . 1 . . . . . . . . 5884 1 486 . 1 1 39 39 GLU HB3 H 1 2.001 0.000 . 1 . . . . . . . . 5884 1 487 . 1 1 39 39 GLU CG C 13 36.411 0.000 . 1 . . . . . . . . 5884 1 488 . 1 1 39 39 GLU HG2 H 1 2.311 0.000 . 1 . . . . . . . . 5884 1 489 . 1 1 39 39 GLU HG3 H 1 2.272 0.000 . 1 . . . . . . . . 5884 1 490 . 1 1 40 40 GLU H H 1 8.326 0.000 . 1 . . . . . . . . 5884 1 491 . 1 1 40 40 GLU N N 15 119.844 0.000 . 1 . . . . . . . . 5884 1 492 . 1 1 40 40 GLU CA C 13 57.309 0.000 . 1 . . . . . . . . 5884 1 493 . 1 1 40 40 GLU HA H 1 4.234 0.000 . 1 . . . . . . . . 5884 1 494 . 1 1 40 40 GLU C C 13 176.920 0.000 . 1 . . . . . . . . 5884 1 495 . 1 1 40 40 GLU CB C 13 30.348 0.000 . 1 . . . . . . . . 5884 1 496 . 1 1 40 40 GLU HB2 H 1 2.097 0.000 . 1 . . . . . . . . 5884 1 497 . 1 1 40 40 GLU HB3 H 1 1.981 0.000 . 1 . . . . . . . . 5884 1 498 . 1 1 40 40 GLU CG C 13 36.468 0.000 . 1 . . . . . . . . 5884 1 499 . 1 1 40 40 GLU HG2 H 1 2.313 0.000 . 1 . . . . . . . . 5884 1 500 . 1 1 40 40 GLU HG3 H 1 2.270 0.000 . 1 . . . . . . . . 5884 1 501 . 1 1 41 41 GLU H H 1 8.159 0.000 . 1 . . . . . . . . 5884 1 502 . 1 1 41 41 GLU N N 15 120.229 0.000 . 1 . . . . . . . . 5884 1 503 . 1 1 41 41 GLU CA C 13 57.008 0.000 . 1 . . . . . . . . 5884 1 504 . 1 1 41 41 GLU HA H 1 4.246 0.000 . 1 . . . . . . . . 5884 1 505 . 1 1 41 41 GLU C C 13 176.860 0.000 . 1 . . . . . . . . 5884 1 506 . 1 1 41 41 GLU CB C 13 30.445 0.000 . 1 . . . . . . . . 5884 1 507 . 1 1 41 41 GLU HB2 H 1 2.070 0.000 . 1 . . . . . . . . 5884 1 508 . 1 1 41 41 GLU HB3 H 1 1.992 0.000 . 1 . . . . . . . . 5884 1 509 . 1 1 41 41 GLU CG C 13 36.397 0.000 . 1 . . . . . . . . 5884 1 510 . 1 1 41 41 GLU HG2 H 1 2.291 0.000 . 1 . . . . . . . . 5884 1 511 . 1 1 41 41 GLU HG3 H 1 2.235 0.000 . 1 . . . . . . . . 5884 1 512 . 1 1 42 42 ILE H H 1 7.986 0.000 . 1 . . . . . . . . 5884 1 513 . 1 1 42 42 ILE N N 15 120.803 0.000 . 1 . . . . . . . . 5884 1 514 . 1 1 42 42 ILE CA C 13 61.695 0.000 . 1 . . . . . . . . 5884 1 515 . 1 1 42 42 ILE HA H 1 4.113 0.000 . 1 . . . . . . . . 5884 1 516 . 1 1 42 42 ILE C C 13 176.589 0.000 . 1 . . . . . . . . 5884 1 517 . 1 1 42 42 ILE CB C 13 38.547 0.000 . 1 . . . . . . . . 5884 1 518 . 1 1 42 42 ILE HB H 1 1.896 0.000 . 1 . . . . . . . . 5884 1 519 . 1 1 42 42 ILE CG2 C 13 17.691 0.000 . 1 . . . . . . . . 5884 1 520 . 1 1 42 42 ILE HG21 H 1 0.899 0.000 . 1 . . . . . . . . 5884 1 521 . 1 1 42 42 ILE HG22 H 1 0.899 0.000 . 1 . . . . . . . . 5884 1 522 . 1 1 42 42 ILE HG23 H 1 0.899 0.000 . 1 . . . . . . . . 5884 1 523 . 1 1 42 42 ILE CG1 C 13 28.157 0.000 . 1 . . . . . . . . 5884 1 524 . 1 1 42 42 ILE HG12 H 1 1.488 0.000 . 1 . . . . . . . . 5884 1 525 . 1 1 42 42 ILE HG13 H 1 1.176 0.000 . 1 . . . . . . . . 5884 1 526 . 1 1 42 42 ILE CD1 C 13 13.380 0.000 . 1 . . . . . . . . 5884 1 527 . 1 1 42 42 ILE HD11 H 1 0.868 0.000 . 1 . . . . . . . . 5884 1 528 . 1 1 42 42 ILE HD12 H 1 0.868 0.000 . 1 . . . . . . . . 5884 1 529 . 1 1 42 42 ILE HD13 H 1 0.868 0.000 . 1 . . . . . . . . 5884 1 530 . 1 1 43 43 GLN H H 1 8.364 0.000 . 1 . . . . . . . . 5884 1 531 . 1 1 43 43 GLN N N 15 123.390 0.000 . 1 . . . . . . . . 5884 1 532 . 1 1 43 43 GLN CA C 13 56.056 0.000 . 1 . . . . . . . . 5884 1 533 . 1 1 43 43 GLN HA H 1 4.330 0.000 . 1 . . . . . . . . 5884 1 534 . 1 1 43 43 GLN C C 13 176.237 0.000 . 1 . . . . . . . . 5884 1 535 . 1 1 43 43 GLN CB C 13 29.085 0.000 . 1 . . . . . . . . 5884 1 536 . 1 1 43 43 GLN HB2 H 1 2.139 0.000 . 1 . . . . . . . . 5884 1 537 . 1 1 43 43 GLN HB3 H 1 2.028 0.000 . 1 . . . . . . . . 5884 1 538 . 1 1 43 43 GLN CG C 13 33.922 0.000 . 1 . . . . . . . . 5884 1 539 . 1 1 43 43 GLN HG2 H 1 2.400 0.000 . 1 . . . . . . . . 5884 1 540 . 1 1 43 43 GLN HG3 H 1 2.400 0.000 . 1 . . . . . . . . 5884 1 541 . 1 1 43 43 GLN NE2 N 15 112.409 0.000 . 1 . . . . . . . . 5884 1 542 . 1 1 43 43 GLN HE21 H 1 7.506 0.000 . 1 . . . . . . . . 5884 1 543 . 1 1 43 43 GLN HE22 H 1 6.826 0.000 . 1 . . . . . . . . 5884 1 544 . 1 1 44 44 MET H H 1 8.331 0.000 . 1 . . . . . . . . 5884 1 545 . 1 1 44 44 MET N N 15 120.774 0.000 . 1 . . . . . . . . 5884 1 546 . 1 1 44 44 MET CA C 13 55.694 0.000 . 1 . . . . . . . . 5884 1 547 . 1 1 44 44 MET HA H 1 4.479 0.000 . 1 . . . . . . . . 5884 1 548 . 1 1 44 44 MET C C 13 176.722 0.000 . 1 . . . . . . . . 5884 1 549 . 1 1 44 44 MET CB C 13 32.944 0.000 . 1 . . . . . . . . 5884 1 550 . 1 1 44 44 MET HB2 H 1 2.102 0.000 . 1 . . . . . . . . 5884 1 551 . 1 1 44 44 MET HB3 H 1 2.062 0.000 . 1 . . . . . . . . 5884 1 552 . 1 1 44 44 MET CG C 13 32.291 0.000 . 1 . . . . . . . . 5884 1 553 . 1 1 44 44 MET HG2 H 1 2.634 0.000 . 1 . . . . . . . . 5884 1 554 . 1 1 44 44 MET HG3 H 1 2.556 0.000 . 1 . . . . . . . . 5884 1 555 . 1 1 44 44 MET CE C 13 16.770 0.000 . 1 . . . . . . . . 5884 1 556 . 1 1 44 44 MET HE1 H 1 2.041 0.000 . 1 . . . . . . . . 5884 1 557 . 1 1 44 44 MET HE2 H 1 2.041 0.000 . 1 . . . . . . . . 5884 1 558 . 1 1 44 44 MET HE3 H 1 2.041 0.000 . 1 . . . . . . . . 5884 1 559 . 1 1 45 45 GLY H H 1 8.417 0.000 . 1 . . . . . . . . 5884 1 560 . 1 1 45 45 GLY N N 15 109.568 0.000 . 1 . . . . . . . . 5884 1 561 . 1 1 45 45 GLY CA C 13 45.642 0.000 . 1 . . . . . . . . 5884 1 562 . 1 1 45 45 GLY HA2 H 1 3.960 0.000 . 1 . . . . . . . . 5884 1 563 . 1 1 45 45 GLY HA3 H 1 3.960 0.000 . 1 . . . . . . . . 5884 1 564 . 1 1 45 45 GLY C C 13 174.273 0.000 . 1 . . . . . . . . 5884 1 565 . 1 1 46 46 THR H H 1 7.857 0.000 . 1 . . . . . . . . 5884 1 566 . 1 1 46 46 THR N N 15 113.654 0.000 . 1 . . . . . . . . 5884 1 567 . 1 1 46 46 THR CA C 13 62.557 0.000 . 1 . . . . . . . . 5884 1 568 . 1 1 46 46 THR HA H 1 4.195 0.000 . 1 . . . . . . . . 5884 1 569 . 1 1 46 46 THR CB C 13 69.841 0.000 . 1 . . . . . . . . 5884 1 570 . 1 1 46 46 THR HB H 1 3.993 0.000 . 1 . . . . . . . . 5884 1 571 . 1 1 46 46 THR CG2 C 13 21.706 0.000 . 1 . . . . . . . . 5884 1 572 . 1 1 46 46 THR HG21 H 1 0.961 0.000 . 1 . . . . . . . . 5884 1 573 . 1 1 46 46 THR HG22 H 1 0.961 0.000 . 1 . . . . . . . . 5884 1 574 . 1 1 46 46 THR HG23 H 1 0.961 0.000 . 1 . . . . . . . . 5884 1 575 . 1 1 47 47 HIS CA C 13 55.791 0.000 . 1 . . . . . . . . 5884 1 576 . 1 1 47 47 HIS HA H 1 4.650 0.000 . 1 . . . . . . . . 5884 1 577 . 1 1 47 47 HIS C C 13 175.119 0.000 . 1 . . . . . . . . 5884 1 578 . 1 1 47 47 HIS CB C 13 29.590 0.000 . 1 . . . . . . . . 5884 1 579 . 1 1 47 47 HIS HB2 H 1 3.202 0.000 . 1 . . . . . . . . 5884 1 580 . 1 1 47 47 HIS HB3 H 1 3.072 0.000 . 1 . . . . . . . . 5884 1 581 . 1 1 47 47 HIS CD2 C 13 119.749 0.000 . 1 . . . . . . . . 5884 1 582 . 1 1 47 47 HIS HD2 H 1 6.821 0.000 . 1 . . . . . . . . 5884 1 583 . 1 1 47 47 HIS CE1 C 13 137.008 0.000 . 1 . . . . . . . . 5884 1 584 . 1 1 47 47 HIS HE1 H 1 8.142 0.000 . 1 . . . . . . . . 5884 1 585 . 1 1 48 48 LYS H H 1 8.338 0.000 . 1 . . . . . . . . 5884 1 586 . 1 1 48 48 LYS N N 15 122.008 0.000 . 1 . . . . . . . . 5884 1 587 . 1 1 48 48 LYS CA C 13 57.625 0.000 . 1 . . . . . . . . 5884 1 588 . 1 1 48 48 LYS HA H 1 4.315 0.000 . 1 . . . . . . . . 5884 1 589 . 1 1 48 48 LYS C C 13 177.552 0.000 . 1 . . . . . . . . 5884 1 590 . 1 1 48 48 LYS CB C 13 32.845 0.000 . 1 . . . . . . . . 5884 1 591 . 1 1 48 48 LYS HB2 H 1 1.918 0.000 . 1 . . . . . . . . 5884 1 592 . 1 1 48 48 LYS HB3 H 1 1.865 0.000 . 1 . . . . . . . . 5884 1 593 . 1 1 48 48 LYS CG C 13 25.169 0.000 . 1 . . . . . . . . 5884 1 594 . 1 1 48 48 LYS HG2 H 1 1.467 0.000 . 1 . . . . . . . . 5884 1 595 . 1 1 48 48 LYS HG3 H 1 1.467 0.000 . 1 . . . . . . . . 5884 1 596 . 1 1 48 48 LYS CD C 13 29.403 0.000 . 1 . . . . . . . . 5884 1 597 . 1 1 48 48 LYS HD2 H 1 1.733 0.000 . 1 . . . . . . . . 5884 1 598 . 1 1 48 48 LYS HD3 H 1 1.733 0.000 . 1 . . . . . . . . 5884 1 599 . 1 1 48 48 LYS CE C 13 42.637 0.000 . 1 . . . . . . . . 5884 1 600 . 1 1 48 48 LYS HE2 H 1 3.010 0.000 . 1 . . . . . . . . 5884 1 601 . 1 1 48 48 LYS HE3 H 1 3.010 0.000 . 1 . . . . . . . . 5884 1 602 . 1 1 49 49 GLY H H 1 8.776 0.000 . 1 . . . . . . . . 5884 1 603 . 1 1 49 49 GLY N N 15 110.587 0.000 . 1 . . . . . . . . 5884 1 604 . 1 1 49 49 GLY CA C 13 45.316 0.000 . 1 . . . . . . . . 5884 1 605 . 1 1 49 49 GLY HA2 H 1 4.170 0.000 . 1 . . . . . . . . 5884 1 606 . 1 1 49 49 GLY HA3 H 1 4.116 0.000 . 1 . . . . . . . . 5884 1 607 . 1 1 49 49 GLY C C 13 173.853 0.000 . 1 . . . . . . . . 5884 1 608 . 1 1 50 50 TYR H H 1 8.235 0.000 . 1 . . . . . . . . 5884 1 609 . 1 1 50 50 TYR N N 15 123.578 0.000 . 1 . . . . . . . . 5884 1 610 . 1 1 50 50 TYR CA C 13 60.167 0.000 . 1 . . . . . . . . 5884 1 611 . 1 1 50 50 TYR HA H 1 4.268 0.000 . 1 . . . . . . . . 5884 1 612 . 1 1 50 50 TYR C C 13 178.112 0.000 . 1 . . . . . . . . 5884 1 613 . 1 1 50 50 TYR CB C 13 39.248 0.000 . 1 . . . . . . . . 5884 1 614 . 1 1 50 50 TYR HB2 H 1 3.510 0.000 . 1 . . . . . . . . 5884 1 615 . 1 1 50 50 TYR HB3 H 1 3.445 0.000 . 1 . . . . . . . . 5884 1 616 . 1 1 50 50 TYR CD1 C 13 133.132 0.000 . 1 . . . . . . . . 5884 1 617 . 1 1 50 50 TYR HD1 H 1 7.301 0.000 . 1 . . . . . . . . 5884 1 618 . 1 1 50 50 TYR CD2 C 13 133.132 0.000 . 1 . . . . . . . . 5884 1 619 . 1 1 50 50 TYR HD2 H 1 7.301 0.000 . 1 . . . . . . . . 5884 1 620 . 1 1 50 50 TYR CE1 C 13 118.602 0.000 . 1 . . . . . . . . 5884 1 621 . 1 1 50 50 TYR HE1 H 1 6.906 0.000 . 1 . . . . . . . . 5884 1 622 . 1 1 50 50 TYR CE2 C 13 118.602 0.000 . 1 . . . . . . . . 5884 1 623 . 1 1 50 50 TYR HE2 H 1 6.906 0.000 . 1 . . . . . . . . 5884 1 624 . 1 1 51 51 GLY H H 1 9.228 0.000 . 1 . . . . . . . . 5884 1 625 . 1 1 51 51 GLY N N 15 115.278 0.000 . 1 . . . . . . . . 5884 1 626 . 1 1 51 51 GLY CA C 13 47.479 0.000 . 1 . . . . . . . . 5884 1 627 . 1 1 51 51 GLY HA2 H 1 3.885 0.000 . 1 . . . . . . . . 5884 1 628 . 1 1 51 51 GLY HA3 H 1 3.712 0.000 . 1 . . . . . . . . 5884 1 629 . 1 1 51 51 GLY C C 13 178.757 0.000 . 1 . . . . . . . . 5884 1 630 . 1 1 52 52 SER H H 1 8.232 0.000 . 1 . . . . . . . . 5884 1 631 . 1 1 52 52 SER N N 15 118.681 0.000 . 1 . . . . . . . . 5884 1 632 . 1 1 52 52 SER CA C 13 62.110 0.000 . 1 . . . . . . . . 5884 1 633 . 1 1 52 52 SER HA H 1 4.072 0.000 . 1 . . . . . . . . 5884 1 634 . 1 1 52 52 SER C C 13 174.320 0.000 . 1 . . . . . . . . 5884 1 635 . 1 1 52 52 SER CB C 13 62.760 0.000 . 1 . . . . . . . . 5884 1 636 . 1 1 52 52 SER HB2 H 1 4.050 0.000 . 1 . . . . . . . . 5884 1 637 . 1 1 52 52 SER HB3 H 1 4.050 0.000 . 1 . . . . . . . . 5884 1 638 . 1 1 53 53 ASP H H 1 8.488 0.000 . 1 . . . . . . . . 5884 1 639 . 1 1 53 53 ASP N N 15 119.626 0.000 . 1 . . . . . . . . 5884 1 640 . 1 1 53 53 ASP CA C 13 53.810 0.000 . 1 . . . . . . . . 5884 1 641 . 1 1 53 53 ASP HA H 1 5.243 0.000 . 1 . . . . . . . . 5884 1 642 . 1 1 53 53 ASP C C 13 175.664 0.000 . 1 . . . . . . . . 5884 1 643 . 1 1 53 53 ASP CB C 13 41.976 0.000 . 1 . . . . . . . . 5884 1 644 . 1 1 53 53 ASP HB2 H 1 2.954 0.000 . 1 . . . . . . . . 5884 1 645 . 1 1 53 53 ASP HB3 H 1 2.600 0.000 . 1 . . . . . . . . 5884 1 646 . 1 1 54 54 GLY H H 1 7.740 0.000 . 1 . . . . . . . . 5884 1 647 . 1 1 54 54 GLY N N 15 105.300 0.000 . 1 . . . . . . . . 5884 1 648 . 1 1 54 54 GLY CA C 13 43.563 0.000 . 1 . . . . . . . . 5884 1 649 . 1 1 54 54 GLY HA2 H 1 4.310 0.000 . 1 . . . . . . . . 5884 1 650 . 1 1 54 54 GLY HA3 H 1 3.690 0.000 . 1 . . . . . . . . 5884 1 651 . 1 1 54 54 GLY C C 13 172.203 0.000 . 1 . . . . . . . . 5884 1 652 . 1 1 55 55 LEU H H 1 8.681 0.000 . 1 . . . . . . . . 5884 1 653 . 1 1 55 55 LEU N N 15 120.680 0.000 . 1 . . . . . . . . 5884 1 654 . 1 1 55 55 LEU CA C 13 52.270 0.000 . 1 . . . . . . . . 5884 1 655 . 1 1 55 55 LEU HA H 1 4.651 0.000 . 1 . . . . . . . . 5884 1 656 . 1 1 55 55 LEU C C 13 174.726 0.000 . 1 . . . . . . . . 5884 1 657 . 1 1 55 55 LEU CB C 13 44.767 0.000 . 1 . . . . . . . . 5884 1 658 . 1 1 55 55 LEU HB2 H 1 1.323 0.000 . 1 . . . . . . . . 5884 1 659 . 1 1 55 55 LEU HB3 H 1 1.032 0.000 . 1 . . . . . . . . 5884 1 660 . 1 1 55 55 LEU CG C 13 26.042 0.000 . 1 . . . . . . . . 5884 1 661 . 1 1 55 55 LEU CD1 C 13 24.663 0.000 . 1 . . . . . . . . 5884 1 662 . 1 1 55 55 LEU HD11 H 1 0.831 0.000 . 1 . . . . . . . . 5884 1 663 . 1 1 55 55 LEU HD12 H 1 0.831 0.000 . 1 . . . . . . . . 5884 1 664 . 1 1 55 55 LEU HD13 H 1 0.831 0.000 . 1 . . . . . . . . 5884 1 665 . 1 1 55 55 LEU CD2 C 13 24.663 0.000 . 1 . . . . . . . . 5884 1 666 . 1 1 55 55 LEU HD21 H 1 -0.036 0.000 . 1 . . . . . . . . 5884 1 667 . 1 1 55 55 LEU HD22 H 1 -0.036 0.000 . 1 . . . . . . . . 5884 1 668 . 1 1 55 55 LEU HD23 H 1 -0.036 0.000 . 1 . . . . . . . . 5884 1 669 . 1 1 55 55 LEU HG H 1 1.300 0.000 . 1 . . . . . . . . 5884 1 670 . 1 1 56 56 LYS H H 1 8.984 0.000 . 1 . . . . . . . . 5884 1 671 . 1 1 56 56 LYS N N 15 127.397 0.000 . 1 . . . . . . . . 5884 1 672 . 1 1 56 56 LYS CA C 13 56.157 0.000 . 1 . . . . . . . . 5884 1 673 . 1 1 56 56 LYS HA H 1 4.779 0.000 . 1 . . . . . . . . 5884 1 674 . 1 1 56 56 LYS C C 13 176.415 0.000 . 1 . . . . . . . . 5884 1 675 . 1 1 56 56 LYS CB C 13 33.966 0.000 . 1 . . . . . . . . 5884 1 676 . 1 1 56 56 LYS HB2 H 1 2.036 0.000 . 1 . . . . . . . . 5884 1 677 . 1 1 56 56 LYS HB3 H 1 1.877 0.000 . 1 . . . . . . . . 5884 1 678 . 1 1 56 56 LYS CG C 13 24.722 0.000 . 1 . . . . . . . . 5884 1 679 . 1 1 56 56 LYS HG2 H 1 1.304 0.000 . 1 . . . . . . . . 5884 1 680 . 1 1 56 56 LYS HG3 H 1 1.122 0.000 . 1 . . . . . . . . 5884 1 681 . 1 1 56 56 LYS CD C 13 29.717 0.000 . 1 . . . . . . . . 5884 1 682 . 1 1 56 56 LYS HD2 H 1 1.711 0.000 . 1 . . . . . . . . 5884 1 683 . 1 1 56 56 LYS HD3 H 1 1.711 0.000 . 1 . . . . . . . . 5884 1 684 . 1 1 56 56 LYS CE C 13 41.576 0.000 . 1 . . . . . . . . 5884 1 685 . 1 1 56 56 LYS HE2 H 1 2.992 0.000 . 1 . . . . . . . . 5884 1 686 . 1 1 56 56 LYS HE3 H 1 2.992 0.000 . 1 . . . . . . . . 5884 1 687 . 1 1 57 57 LEU H H 1 9.060 0.000 . 1 . . . . . . . . 5884 1 688 . 1 1 57 57 LEU N N 15 130.471 0.000 . 1 . . . . . . . . 5884 1 689 . 1 1 57 57 LEU CA C 13 56.021 0.000 . 1 . . . . . . . . 5884 1 690 . 1 1 57 57 LEU HA H 1 4.148 0.000 . 1 . . . . . . . . 5884 1 691 . 1 1 57 57 LEU C C 13 175.694 0.000 . 1 . . . . . . . . 5884 1 692 . 1 1 57 57 LEU CB C 13 42.340 0.000 . 1 . . . . . . . . 5884 1 693 . 1 1 57 57 LEU HB2 H 1 2.062 0.000 . 1 . . . . . . . . 5884 1 694 . 1 1 57 57 LEU HB3 H 1 1.310 0.000 . 1 . . . . . . . . 5884 1 695 . 1 1 57 57 LEU CG C 13 27.372 0.000 . 1 . . . . . . . . 5884 1 696 . 1 1 57 57 LEU CD1 C 13 26.770 0.000 . 1 . . . . . . . . 5884 1 697 . 1 1 57 57 LEU HD11 H 1 0.721 0.000 . 1 . . . . . . . . 5884 1 698 . 1 1 57 57 LEU HD12 H 1 0.721 0.000 . 1 . . . . . . . . 5884 1 699 . 1 1 57 57 LEU HD13 H 1 0.721 0.000 . 1 . . . . . . . . 5884 1 700 . 1 1 57 57 LEU CD2 C 13 24.211 0.000 . 1 . . . . . . . . 5884 1 701 . 1 1 57 57 LEU HD21 H 1 0.577 0.000 . 1 . . . . . . . . 5884 1 702 . 1 1 57 57 LEU HD22 H 1 0.577 0.000 . 1 . . . . . . . . 5884 1 703 . 1 1 57 57 LEU HD23 H 1 0.577 0.000 . 1 . . . . . . . . 5884 1 704 . 1 1 57 57 LEU HG H 1 1.302 0.000 . 1 . . . . . . . . 5884 1 705 . 1 1 58 58 LEU H H 1 9.348 0.000 . 1 . . . . . . . . 5884 1 706 . 1 1 58 58 LEU N N 15 128.844 0.000 . 1 . . . . . . . . 5884 1 707 . 1 1 58 58 LEU CA C 13 55.823 0.000 . 1 . . . . . . . . 5884 1 708 . 1 1 58 58 LEU HA H 1 4.576 0.000 . 1 . . . . . . . . 5884 1 709 . 1 1 58 58 LEU C C 13 177.366 0.000 . 1 . . . . . . . . 5884 1 710 . 1 1 58 58 LEU CB C 13 44.317 0.000 . 1 . . . . . . . . 5884 1 711 . 1 1 58 58 LEU HB2 H 1 1.580 0.000 . 1 . . . . . . . . 5884 1 712 . 1 1 58 58 LEU HB3 H 1 1.501 0.000 . 1 . . . . . . . . 5884 1 713 . 1 1 58 58 LEU CG C 13 26.363 0.000 . 1 . . . . . . . . 5884 1 714 . 1 1 58 58 LEU CD1 C 13 26.551 0.000 . 1 . . . . . . . . 5884 1 715 . 1 1 58 58 LEU HD11 H 1 0.932 0.000 . 1 . . . . . . . . 5884 1 716 . 1 1 58 58 LEU HD12 H 1 0.932 0.000 . 1 . . . . . . . . 5884 1 717 . 1 1 58 58 LEU HD13 H 1 0.932 0.000 . 1 . . . . . . . . 5884 1 718 . 1 1 58 58 LEU CD2 C 13 22.492 0.000 . 1 . . . . . . . . 5884 1 719 . 1 1 58 58 LEU HD21 H 1 0.879 0.000 . 1 . . . . . . . . 5884 1 720 . 1 1 58 58 LEU HD22 H 1 0.879 0.000 . 1 . . . . . . . . 5884 1 721 . 1 1 58 58 LEU HD23 H 1 0.879 0.000 . 1 . . . . . . . . 5884 1 722 . 1 1 58 58 LEU HG H 1 1.742 0.000 . 1 . . . . . . . . 5884 1 723 . 1 1 59 59 SER H H 1 7.382 0.000 . 1 . . . . . . . . 5884 1 724 . 1 1 59 59 SER N N 15 108.628 0.000 . 1 . . . . . . . . 5884 1 725 . 1 1 59 59 SER CA C 13 57.260 0.000 . 1 . . . . . . . . 5884 1 726 . 1 1 59 59 SER HA H 1 4.603 0.000 . 1 . . . . . . . . 5884 1 727 . 1 1 59 59 SER C C 13 171.262 0.000 . 1 . . . . . . . . 5884 1 728 . 1 1 59 59 SER CB C 13 64.811 0.000 . 1 . . . . . . . . 5884 1 729 . 1 1 59 59 SER HB2 H 1 3.832 0.000 . 1 . . . . . . . . 5884 1 730 . 1 1 59 59 SER HB3 H 1 3.756 0.000 . 1 . . . . . . . . 5884 1 731 . 1 1 60 60 HIS H H 1 8.612 0.000 . 1 . . . . . . . . 5884 1 732 . 1 1 60 60 HIS N N 15 120.338 0.000 . 1 . . . . . . . . 5884 1 733 . 1 1 60 60 HIS CA C 13 53.787 0.000 . 1 . . . . . . . . 5884 1 734 . 1 1 60 60 HIS HA H 1 5.243 0.000 . 1 . . . . . . . . 5884 1 735 . 1 1 60 60 HIS C C 13 172.123 0.000 . 1 . . . . . . . . 5884 1 736 . 1 1 60 60 HIS CB C 13 34.250 0.000 . 1 . . . . . . . . 5884 1 737 . 1 1 60 60 HIS HB2 H 1 2.957 0.000 . 1 . . . . . . . . 5884 1 738 . 1 1 60 60 HIS HB3 H 1 2.707 0.000 . 1 . . . . . . . . 5884 1 739 . 1 1 60 60 HIS CD2 C 13 120.368 0.000 . 1 . . . . . . . . 5884 1 740 . 1 1 60 60 HIS HD2 H 1 6.416 0.000 . 1 . . . . . . . . 5884 1 741 . 1 1 60 60 HIS CE1 C 13 138.137 0.000 . 1 . . . . . . . . 5884 1 742 . 1 1 60 60 HIS HE1 H 1 8.088 0.000 . 1 . . . . . . . . 5884 1 743 . 1 1 61 61 GLU H H 1 8.380 0.000 . 1 . . . . . . . . 5884 1 744 . 1 1 61 61 GLU N N 15 123.004 0.000 . 1 . . . . . . . . 5884 1 745 . 1 1 61 61 GLU CA C 13 54.536 0.000 . 1 . . . . . . . . 5884 1 746 . 1 1 61 61 GLU HA H 1 4.471 0.000 . 1 . . . . . . . . 5884 1 747 . 1 1 61 61 GLU C C 13 173.891 0.000 . 1 . . . . . . . . 5884 1 748 . 1 1 61 61 GLU CB C 13 33.718 0.000 . 1 . . . . . . . . 5884 1 749 . 1 1 61 61 GLU HB2 H 1 2.111 0.000 . 1 . . . . . . . . 5884 1 750 . 1 1 61 61 GLU HB3 H 1 1.981 0.000 . 1 . . . . . . . . 5884 1 751 . 1 1 61 61 GLU CG C 13 36.372 0.000 . 1 . . . . . . . . 5884 1 752 . 1 1 61 61 GLU HG2 H 1 2.206 0.000 . 1 . . . . . . . . 5884 1 753 . 1 1 61 61 GLU HG3 H 1 2.100 0.000 . 1 . . . . . . . . 5884 1 754 . 1 1 62 62 GLU H H 1 8.594 0.000 . 1 . . . . . . . . 5884 1 755 . 1 1 62 62 GLU N N 15 121.975 0.000 . 1 . . . . . . . . 5884 1 756 . 1 1 62 62 GLU CA C 13 55.604 0.000 . 1 . . . . . . . . 5884 1 757 . 1 1 62 62 GLU HA H 1 5.156 0.000 . 1 . . . . . . . . 5884 1 758 . 1 1 62 62 GLU C C 13 175.809 0.000 . 1 . . . . . . . . 5884 1 759 . 1 1 62 62 GLU CB C 13 31.919 0.000 . 1 . . . . . . . . 5884 1 760 . 1 1 62 62 GLU HB2 H 1 2.076 0.000 . 1 . . . . . . . . 5884 1 761 . 1 1 62 62 GLU HB3 H 1 1.866 0.000 . 1 . . . . . . . . 5884 1 762 . 1 1 62 62 GLU CG C 13 37.187 0.000 . 1 . . . . . . . . 5884 1 763 . 1 1 62 62 GLU HG2 H 1 2.310 0.000 . 1 . . . . . . . . 5884 1 764 . 1 1 62 62 GLU HG3 H 1 2.310 0.000 . 1 . . . . . . . . 5884 1 765 . 1 1 63 63 SER H H 1 8.820 0.000 . 1 . . . . . . . . 5884 1 766 . 1 1 63 63 SER N N 15 118.249 0.000 . 1 . . . . . . . . 5884 1 767 . 1 1 63 63 SER CA C 13 56.017 0.000 . 1 . . . . . . . . 5884 1 768 . 1 1 63 63 SER HA H 1 4.737 0.000 . 1 . . . . . . . . 5884 1 769 . 1 1 63 63 SER C C 13 173.197 0.000 . 1 . . . . . . . . 5884 1 770 . 1 1 63 63 SER CB C 13 64.724 0.000 . 1 . . . . . . . . 5884 1 771 . 1 1 63 63 SER HB2 H 1 3.621 0.000 . 1 . . . . . . . . 5884 1 772 . 1 1 63 63 SER HB3 H 1 3.454 0.000 . 1 . . . . . . . . 5884 1 773 . 1 1 64 64 VAL H H 1 8.240 0.000 . 1 . . . . . . . . 5884 1 774 . 1 1 64 64 VAL N N 15 121.660 0.000 . 1 . . . . . . . . 5884 1 775 . 1 1 64 64 VAL CA C 13 61.260 0.000 . 1 . . . . . . . . 5884 1 776 . 1 1 64 64 VAL HA H 1 4.780 0.000 . 1 . . . . . . . . 5884 1 777 . 1 1 64 64 VAL C C 13 175.870 0.000 . 1 . . . . . . . . 5884 1 778 . 1 1 64 64 VAL CB C 13 33.680 0.000 . 1 . . . . . . . . 5884 1 779 . 1 1 64 64 VAL HB H 1 1.824 0.000 . 1 . . . . . . . . 5884 1 780 . 1 1 64 64 VAL CG1 C 13 21.319 0.000 . 1 . . . . . . . . 5884 1 781 . 1 1 64 64 VAL HG11 H 1 0.838 0.000 . 1 . . . . . . . . 5884 1 782 . 1 1 64 64 VAL HG12 H 1 0.838 0.000 . 1 . . . . . . . . 5884 1 783 . 1 1 64 64 VAL HG13 H 1 0.838 0.000 . 1 . . . . . . . . 5884 1 784 . 1 1 64 64 VAL CG2 C 13 20.605 0.000 . 1 . . . . . . . . 5884 1 785 . 1 1 64 64 VAL HG21 H 1 0.715 0.000 . 1 . . . . . . . . 5884 1 786 . 1 1 64 64 VAL HG22 H 1 0.715 0.000 . 1 . . . . . . . . 5884 1 787 . 1 1 64 64 VAL HG23 H 1 0.715 0.000 . 1 . . . . . . . . 5884 1 788 . 1 1 65 65 SER H H 1 8.952 0.000 . 1 . . . . . . . . 5884 1 789 . 1 1 65 65 SER N N 15 122.089 0.000 . 1 . . . . . . . . 5884 1 790 . 1 1 65 65 SER CA C 13 56.641 0.000 . 1 . . . . . . . . 5884 1 791 . 1 1 65 65 SER HA H 1 4.421 0.000 . 1 . . . . . . . . 5884 1 792 . 1 1 65 65 SER C C 13 174.726 0.000 . 1 . . . . . . . . 5884 1 793 . 1 1 65 65 SER CB C 13 64.418 0.000 . 1 . . . . . . . . 5884 1 794 . 1 1 65 65 SER HB2 H 1 3.524 0.000 . 1 . . . . . . . . 5884 1 795 . 1 1 65 65 SER HB3 H 1 3.350 0.000 . 1 . . . . . . . . 5884 1 796 . 1 1 66 66 PHE H H 1 8.965 0.000 . 1 . . . . . . . . 5884 1 797 . 1 1 66 66 PHE N N 15 126.533 0.000 . 1 . . . . . . . . 5884 1 798 . 1 1 66 66 PHE CA C 13 59.300 0.000 . 1 . . . . . . . . 5884 1 799 . 1 1 66 66 PHE HA H 1 4.152 0.000 . 1 . . . . . . . . 5884 1 800 . 1 1 66 66 PHE C C 13 176.255 0.000 . 1 . . . . . . . . 5884 1 801 . 1 1 66 66 PHE CB C 13 36.510 0.000 . 1 . . . . . . . . 5884 1 802 . 1 1 66 66 PHE HB2 H 1 3.295 0.000 . 1 . . . . . . . . 5884 1 803 . 1 1 66 66 PHE HB3 H 1 3.099 0.000 . 1 . . . . . . . . 5884 1 804 . 1 1 66 66 PHE CD1 C 13 132.298 0.000 . 1 . . . . . . . . 5884 1 805 . 1 1 66 66 PHE HD1 H 1 7.225 0.000 . 1 . . . . . . . . 5884 1 806 . 1 1 66 66 PHE CD2 C 13 132.298 0.000 . 1 . . . . . . . . 5884 1 807 . 1 1 66 66 PHE HD2 H 1 7.225 0.000 . 1 . . . . . . . . 5884 1 808 . 1 1 66 66 PHE CE1 C 13 131.159 0.000 . 1 . . . . . . . . 5884 1 809 . 1 1 66 66 PHE HE1 H 1 7.262 0.000 . 1 . . . . . . . . 5884 1 810 . 1 1 66 66 PHE CE2 C 13 131.159 0.000 . 1 . . . . . . . . 5884 1 811 . 1 1 66 66 PHE HE2 H 1 7.262 0.000 . 1 . . . . . . . . 5884 1 812 . 1 1 66 66 PHE CZ C 13 128.965 0.000 . 1 . . . . . . . . 5884 1 813 . 1 1 66 66 PHE HZ H 1 7.260 0.000 . 1 . . . . . . . . 5884 1 814 . 1 1 67 67 GLY H H 1 8.273 0.000 . 1 . . . . . . . . 5884 1 815 . 1 1 67 67 GLY N N 15 103.660 0.000 . 1 . . . . . . . . 5884 1 816 . 1 1 67 67 GLY CA C 13 45.500 0.000 . 1 . . . . . . . . 5884 1 817 . 1 1 67 67 GLY HA2 H 1 4.172 0.000 . 1 . . . . . . . . 5884 1 818 . 1 1 67 67 GLY HA3 H 1 3.530 0.000 . 1 . . . . . . . . 5884 1 819 . 1 1 67 67 GLY C C 13 173.416 0.000 . 1 . . . . . . . . 5884 1 820 . 1 1 68 68 GLU H H 1 7.783 0.000 . 1 . . . . . . . . 5884 1 821 . 1 1 68 68 GLU N N 15 120.890 0.000 . 1 . . . . . . . . 5884 1 822 . 1 1 68 68 GLU CA C 13 54.298 0.000 . 1 . . . . . . . . 5884 1 823 . 1 1 68 68 GLU HA H 1 4.712 0.000 . 1 . . . . . . . . 5884 1 824 . 1 1 68 68 GLU C C 13 175.134 0.000 . 1 . . . . . . . . 5884 1 825 . 1 1 68 68 GLU CB C 13 32.600 0.000 . 1 . . . . . . . . 5884 1 826 . 1 1 68 68 GLU HB2 H 1 2.111 0.000 . 1 . . . . . . . . 5884 1 827 . 1 1 68 68 GLU HB3 H 1 1.934 0.000 . 1 . . . . . . . . 5884 1 828 . 1 1 68 68 GLU CG C 13 35.838 0.000 . 1 . . . . . . . . 5884 1 829 . 1 1 68 68 GLU HG2 H 1 2.281 0.000 . 1 . . . . . . . . 5884 1 830 . 1 1 68 68 GLU HG3 H 1 2.250 0.000 . 1 . . . . . . . . 5884 1 831 . 1 1 69 69 SER H H 1 8.704 0.000 . 1 . . . . . . . . 5884 1 832 . 1 1 69 69 SER N N 15 120.375 0.000 . 1 . . . . . . . . 5884 1 833 . 1 1 69 69 SER CA C 13 59.585 0.000 . 1 . . . . . . . . 5884 1 834 . 1 1 69 69 SER HA H 1 4.923 0.000 . 1 . . . . . . . . 5884 1 835 . 1 1 69 69 SER C C 13 173.283 0.000 . 1 . . . . . . . . 5884 1 836 . 1 1 69 69 SER CB C 13 63.762 0.000 . 1 . . . . . . . . 5884 1 837 . 1 1 69 69 SER HB2 H 1 3.872 0.000 . 1 . . . . . . . . 5884 1 838 . 1 1 69 69 SER HB3 H 1 3.742 0.000 . 1 . . . . . . . . 5884 1 839 . 1 1 70 70 VAL H H 1 8.644 0.000 . 1 . . . . . . . . 5884 1 840 . 1 1 70 70 VAL N N 15 117.493 0.000 . 1 . . . . . . . . 5884 1 841 . 1 1 70 70 VAL CA C 13 59.511 0.000 . 1 . . . . . . . . 5884 1 842 . 1 1 70 70 VAL HA H 1 4.734 0.000 . 1 . . . . . . . . 5884 1 843 . 1 1 70 70 VAL C C 13 174.895 0.000 . 1 . . . . . . . . 5884 1 844 . 1 1 70 70 VAL CB C 13 36.095 0.000 . 1 . . . . . . . . 5884 1 845 . 1 1 70 70 VAL HB H 1 2.190 0.000 . 1 . . . . . . . . 5884 1 846 . 1 1 70 70 VAL CG1 C 13 22.090 0.000 . 1 . . . . . . . . 5884 1 847 . 1 1 70 70 VAL HG11 H 1 0.811 0.000 . 1 . . . . . . . . 5884 1 848 . 1 1 70 70 VAL HG12 H 1 0.811 0.000 . 1 . . . . . . . . 5884 1 849 . 1 1 70 70 VAL HG13 H 1 0.811 0.000 . 1 . . . . . . . . 5884 1 850 . 1 1 70 70 VAL CG2 C 13 18.607 0.000 . 1 . . . . . . . . 5884 1 851 . 1 1 70 70 VAL HG21 H 1 0.512 0.000 . 1 . . . . . . . . 5884 1 852 . 1 1 70 70 VAL HG22 H 1 0.512 0.000 . 1 . . . . . . . . 5884 1 853 . 1 1 70 70 VAL HG23 H 1 0.512 0.000 . 1 . . . . . . . . 5884 1 854 . 1 1 71 71 LEU H H 1 8.970 0.000 . 1 . . . . . . . . 5884 1 855 . 1 1 71 71 LEU N N 15 119.982 0.000 . 1 . . . . . . . . 5884 1 856 . 1 1 71 71 LEU CA C 13 53.922 0.000 . 1 . . . . . . . . 5884 1 857 . 1 1 71 71 LEU HA H 1 4.719 0.000 . 1 . . . . . . . . 5884 1 858 . 1 1 71 71 LEU C C 13 175.797 0.000 . 1 . . . . . . . . 5884 1 859 . 1 1 71 71 LEU CB C 13 43.837 0.000 . 1 . . . . . . . . 5884 1 860 . 1 1 71 71 LEU HB2 H 1 2.061 0.000 . 1 . . . . . . . . 5884 1 861 . 1 1 71 71 LEU HB3 H 1 1.001 0.000 . 1 . . . . . . . . 5884 1 862 . 1 1 71 71 LEU CG C 13 26.847 0.000 . 1 . . . . . . . . 5884 1 863 . 1 1 71 71 LEU CD1 C 13 27.572 0.000 . 1 . . . . . . . . 5884 1 864 . 1 1 71 71 LEU HD11 H 1 1.052 0.000 . 1 . . . . . . . . 5884 1 865 . 1 1 71 71 LEU HD12 H 1 1.052 0.000 . 1 . . . . . . . . 5884 1 866 . 1 1 71 71 LEU HD13 H 1 1.052 0.000 . 1 . . . . . . . . 5884 1 867 . 1 1 71 71 LEU CD2 C 13 23.916 0.000 . 1 . . . . . . . . 5884 1 868 . 1 1 71 71 LEU HD21 H 1 0.690 0.000 . 1 . . . . . . . . 5884 1 869 . 1 1 71 71 LEU HD22 H 1 0.690 0.000 . 1 . . . . . . . . 5884 1 870 . 1 1 71 71 LEU HD23 H 1 0.690 0.000 . 1 . . . . . . . . 5884 1 871 . 1 1 71 71 LEU HG H 1 1.698 0.000 . 1 . . . . . . . . 5884 1 872 . 1 1 72 72 LYS H H 1 8.726 0.000 . 1 . . . . . . . . 5884 1 873 . 1 1 72 72 LYS N N 15 121.486 0.000 . 1 . . . . . . . . 5884 1 874 . 1 1 72 72 LYS CA C 13 54.744 0.000 . 1 . . . . . . . . 5884 1 875 . 1 1 72 72 LYS HA H 1 5.588 0.000 . 1 . . . . . . . . 5884 1 876 . 1 1 72 72 LYS C C 13 176.295 0.000 . 1 . . . . . . . . 5884 1 877 . 1 1 72 72 LYS CB C 13 33.930 0.000 . 1 . . . . . . . . 5884 1 878 . 1 1 72 72 LYS HB2 H 1 1.650 0.000 . 1 . . . . . . . . 5884 1 879 . 1 1 72 72 LYS HB3 H 1 1.520 0.000 . 1 . . . . . . . . 5884 1 880 . 1 1 72 72 LYS CG C 13 25.689 0.000 . 1 . . . . . . . . 5884 1 881 . 1 1 72 72 LYS HG2 H 1 1.344 0.000 . 1 . . . . . . . . 5884 1 882 . 1 1 72 72 LYS HG3 H 1 1.196 0.000 . 1 . . . . . . . . 5884 1 883 . 1 1 72 72 LYS CD C 13 29.793 0.000 . 1 . . . . . . . . 5884 1 884 . 1 1 72 72 LYS HD2 H 1 1.684 0.000 . 1 . . . . . . . . 5884 1 885 . 1 1 72 72 LYS HD3 H 1 1.684 0.000 . 1 . . . . . . . . 5884 1 886 . 1 1 72 72 LYS CE C 13 41.745 0.000 . 1 . . . . . . . . 5884 1 887 . 1 1 72 72 LYS HE2 H 1 2.890 0.000 . 1 . . . . . . . . 5884 1 888 . 1 1 72 72 LYS HE3 H 1 2.890 0.000 . 1 . . . . . . . . 5884 1 889 . 1 1 73 73 LEU H H 1 9.126 0.000 . 1 . . . . . . . . 5884 1 890 . 1 1 73 73 LEU N N 15 127.201 0.000 . 1 . . . . . . . . 5884 1 891 . 1 1 73 73 LEU CA C 13 52.623 0.000 . 1 . . . . . . . . 5884 1 892 . 1 1 73 73 LEU HA H 1 5.089 0.000 . 1 . . . . . . . . 5884 1 893 . 1 1 73 73 LEU C C 13 175.731 0.000 . 1 . . . . . . . . 5884 1 894 . 1 1 73 73 LEU CB C 13 45.177 0.000 . 1 . . . . . . . . 5884 1 895 . 1 1 73 73 LEU HB2 H 1 1.776 0.000 . 1 . . . . . . . . 5884 1 896 . 1 1 73 73 LEU HB3 H 1 0.816 0.000 . 1 . . . . . . . . 5884 1 897 . 1 1 73 73 LEU CG C 13 28.101 0.000 . 1 . . . . . . . . 5884 1 898 . 1 1 73 73 LEU CD1 C 13 26.860 0.000 . 1 . . . . . . . . 5884 1 899 . 1 1 73 73 LEU HD11 H 1 1.641 0.000 . 1 . . . . . . . . 5884 1 900 . 1 1 73 73 LEU HD12 H 1 1.641 0.000 . 1 . . . . . . . . 5884 1 901 . 1 1 73 73 LEU HD13 H 1 1.641 0.000 . 1 . . . . . . . . 5884 1 902 . 1 1 73 73 LEU CD2 C 13 25.756 0.000 . 1 . . . . . . . . 5884 1 903 . 1 1 73 73 LEU HD21 H 1 0.689 0.000 . 1 . . . . . . . . 5884 1 904 . 1 1 73 73 LEU HD22 H 1 0.689 0.000 . 1 . . . . . . . . 5884 1 905 . 1 1 73 73 LEU HD23 H 1 0.689 0.000 . 1 . . . . . . . . 5884 1 906 . 1 1 73 73 LEU HG H 1 0.999 0.000 . 1 . . . . . . . . 5884 1 907 . 1 1 74 74 THR H H 1 7.801 0.000 . 1 . . . . . . . . 5884 1 908 . 1 1 74 74 THR N N 15 116.923 0.000 . 1 . . . . . . . . 5884 1 909 . 1 1 74 74 THR CA C 13 62.340 0.000 . 1 . . . . . . . . 5884 1 910 . 1 1 74 74 THR HA H 1 5.513 0.000 . 1 . . . . . . . . 5884 1 911 . 1 1 74 74 THR C C 13 172.584 0.000 . 1 . . . . . . . . 5884 1 912 . 1 1 74 74 THR CB C 13 69.853 0.000 . 1 . . . . . . . . 5884 1 913 . 1 1 74 74 THR HB H 1 3.989 0.000 . 1 . . . . . . . . 5884 1 914 . 1 1 74 74 THR CG2 C 13 22.032 0.000 . 1 . . . . . . . . 5884 1 915 . 1 1 74 74 THR HG21 H 1 1.183 0.000 . 1 . . . . . . . . 5884 1 916 . 1 1 74 74 THR HG22 H 1 1.183 0.000 . 1 . . . . . . . . 5884 1 917 . 1 1 74 74 THR HG23 H 1 1.183 0.000 . 1 . . . . . . . . 5884 1 918 . 1 1 75 75 PHE H H 1 10.003 0.000 . 1 . . . . . . . . 5884 1 919 . 1 1 75 75 PHE N N 15 125.160 0.000 . 1 . . . . . . . . 5884 1 920 . 1 1 75 75 PHE CA C 13 56.552 0.000 . 1 . . . . . . . . 5884 1 921 . 1 1 75 75 PHE HA H 1 5.618 0.000 . 1 . . . . . . . . 5884 1 922 . 1 1 75 75 PHE C C 13 173.688 0.000 . 1 . . . . . . . . 5884 1 923 . 1 1 75 75 PHE CB C 13 46.294 0.000 . 1 . . . . . . . . 5884 1 924 . 1 1 75 75 PHE HB2 H 1 2.910 0.000 . 1 . . . . . . . . 5884 1 925 . 1 1 75 75 PHE HB3 H 1 2.871 0.000 . 1 . . . . . . . . 5884 1 926 . 1 1 75 75 PHE CD1 C 13 131.976 0.000 . 1 . . . . . . . . 5884 1 927 . 1 1 75 75 PHE HD1 H 1 6.870 0.000 . 1 . . . . . . . . 5884 1 928 . 1 1 75 75 PHE CD2 C 13 131.976 0.000 . 1 . . . . . . . . 5884 1 929 . 1 1 75 75 PHE HD2 H 1 6.870 0.000 . 1 . . . . . . . . 5884 1 930 . 1 1 75 75 PHE CE1 C 13 131.766 0.000 . 1 . . . . . . . . 5884 1 931 . 1 1 75 75 PHE HE1 H 1 7.345 0.000 . 1 . . . . . . . . 5884 1 932 . 1 1 75 75 PHE CE2 C 13 131.766 0.000 . 1 . . . . . . . . 5884 1 933 . 1 1 75 75 PHE HE2 H 1 7.345 0.000 . 1 . . . . . . . . 5884 1 934 . 1 1 75 75 PHE CZ C 13 129.342 0.000 . 1 . . . . . . . . 5884 1 935 . 1 1 75 75 PHE HZ H 1 6.830 0.000 . 1 . . . . . . . . 5884 1 936 . 1 1 76 76 ASP H H 1 9.216 0.000 . 1 . . . . . . . . 5884 1 937 . 1 1 76 76 ASP N N 15 118.222 0.000 . 1 . . . . . . . . 5884 1 938 . 1 1 76 76 ASP CA C 13 49.479 0.000 . 1 . . . . . . . . 5884 1 939 . 1 1 76 76 ASP HA H 1 5.466 0.000 . 1 . . . . . . . . 5884 1 940 . 1 1 76 76 ASP CB C 13 45.502 0.000 . 1 . . . . . . . . 5884 1 941 . 1 1 76 76 ASP HB2 H 1 2.951 0.000 . 1 . . . . . . . . 5884 1 942 . 1 1 76 76 ASP HB3 H 1 2.641 0.000 . 1 . . . . . . . . 5884 1 943 . 1 1 77 77 PRO CA C 13 63.700 0.000 . 1 . . . . . . . . 5884 1 944 . 1 1 77 77 PRO HA H 1 4.906 0.000 . 1 . . . . . . . . 5884 1 945 . 1 1 77 77 PRO C C 13 176.743 0.000 . 1 . . . . . . . . 5884 1 946 . 1 1 77 77 PRO CB C 13 31.891 0.000 . 1 . . . . . . . . 5884 1 947 . 1 1 77 77 PRO HB2 H 1 2.204 0.000 . 1 . . . . . . . . 5884 1 948 . 1 1 77 77 PRO HB3 H 1 1.408 0.000 . 1 . . . . . . . . 5884 1 949 . 1 1 77 77 PRO CG C 13 27.206 0.000 . 1 . . . . . . . . 5884 1 950 . 1 1 77 77 PRO HG2 H 1 2.208 0.000 . 1 . . . . . . . . 5884 1 951 . 1 1 77 77 PRO HG3 H 1 1.930 0.000 . 1 . . . . . . . . 5884 1 952 . 1 1 77 77 PRO CD C 13 51.281 0.000 . 1 . . . . . . . . 5884 1 953 . 1 1 77 77 PRO HD2 H 1 4.360 0.000 . 1 . . . . . . . . 5884 1 954 . 1 1 77 77 PRO HD3 H 1 3.998 0.000 . 1 . . . . . . . . 5884 1 955 . 1 1 78 78 GLY H H 1 9.111 0.000 . 1 . . . . . . . . 5884 1 956 . 1 1 78 78 GLY N N 15 111.779 0.000 . 1 . . . . . . . . 5884 1 957 . 1 1 78 78 GLY CA C 13 46.163 0.000 . 1 . . . . . . . . 5884 1 958 . 1 1 78 78 GLY HA2 H 1 4.245 0.000 . 1 . . . . . . . . 5884 1 959 . 1 1 78 78 GLY HA3 H 1 3.596 0.000 . 1 . . . . . . . . 5884 1 960 . 1 1 78 78 GLY C C 13 173.982 0.000 . 1 . . . . . . . . 5884 1 961 . 1 1 79 79 THR H H 1 6.983 0.000 . 1 . . . . . . . . 5884 1 962 . 1 1 79 79 THR N N 15 111.036 0.000 . 1 . . . . . . . . 5884 1 963 . 1 1 79 79 THR CA C 13 59.434 0.000 . 1 . . . . . . . . 5884 1 964 . 1 1 79 79 THR HA H 1 4.660 0.000 . 1 . . . . . . . . 5884 1 965 . 1 1 79 79 THR C C 13 175.825 0.000 . 1 . . . . . . . . 5884 1 966 . 1 1 79 79 THR CB C 13 70.101 0.000 . 1 . . . . . . . . 5884 1 967 . 1 1 79 79 THR HB H 1 4.334 0.000 . 1 . . . . . . . . 5884 1 968 . 1 1 79 79 THR CG2 C 13 22.700 0.000 . 1 . . . . . . . . 5884 1 969 . 1 1 79 79 THR HG21 H 1 1.223 0.000 . 1 . . . . . . . . 5884 1 970 . 1 1 79 79 THR HG22 H 1 1.223 0.000 . 1 . . . . . . . . 5884 1 971 . 1 1 79 79 THR HG23 H 1 1.223 0.000 . 1 . . . . . . . . 5884 1 972 . 1 1 80 80 VAL H H 1 8.694 0.000 . 1 . . . . . . . . 5884 1 973 . 1 1 80 80 VAL N N 15 125.549 0.000 . 1 . . . . . . . . 5884 1 974 . 1 1 80 80 VAL CA C 13 65.059 0.000 . 1 . . . . . . . . 5884 1 975 . 1 1 80 80 VAL HA H 1 3.889 0.000 . 1 . . . . . . . . 5884 1 976 . 1 1 80 80 VAL C C 13 178.574 0.000 . 1 . . . . . . . . 5884 1 977 . 1 1 80 80 VAL CB C 13 32.006 0.000 . 1 . . . . . . . . 5884 1 978 . 1 1 80 80 VAL HB H 1 2.133 0.000 . 1 . . . . . . . . 5884 1 979 . 1 1 80 80 VAL CG1 C 13 21.676 0.000 . 1 . . . . . . . . 5884 1 980 . 1 1 80 80 VAL HG11 H 1 1.080 0.000 . 1 . . . . . . . . 5884 1 981 . 1 1 80 80 VAL HG12 H 1 1.080 0.000 . 1 . . . . . . . . 5884 1 982 . 1 1 80 80 VAL HG13 H 1 1.080 0.000 . 1 . . . . . . . . 5884 1 983 . 1 1 80 80 VAL CG2 C 13 20.860 0.000 . 1 . . . . . . . . 5884 1 984 . 1 1 80 80 VAL HG21 H 1 1.011 0.000 . 1 . . . . . . . . 5884 1 985 . 1 1 80 80 VAL HG22 H 1 1.011 0.000 . 1 . . . . . . . . 5884 1 986 . 1 1 80 80 VAL HG23 H 1 1.011 0.000 . 1 . . . . . . . . 5884 1 987 . 1 1 81 81 GLU H H 1 9.085 0.000 . 1 . . . . . . . . 5884 1 988 . 1 1 81 81 GLU N N 15 119.038 0.000 . 1 . . . . . . . . 5884 1 989 . 1 1 81 81 GLU CA C 13 58.842 0.000 . 1 . . . . . . . . 5884 1 990 . 1 1 81 81 GLU HA H 1 4.157 0.000 . 1 . . . . . . . . 5884 1 991 . 1 1 81 81 GLU C C 13 177.365 0.000 . 1 . . . . . . . . 5884 1 992 . 1 1 81 81 GLU CB C 13 29.450 0.000 . 1 . . . . . . . . 5884 1 993 . 1 1 81 81 GLU HB2 H 1 2.085 0.000 . 1 . . . . . . . . 5884 1 994 . 1 1 81 81 GLU HB3 H 1 2.044 0.000 . 1 . . . . . . . . 5884 1 995 . 1 1 81 81 GLU CG C 13 36.752 0.000 . 1 . . . . . . . . 5884 1 996 . 1 1 81 81 GLU HG2 H 1 2.401 0.000 . 1 . . . . . . . . 5884 1 997 . 1 1 81 81 GLU HG3 H 1 2.330 0.000 . 1 . . . . . . . . 5884 1 998 . 1 1 82 82 ASP H H 1 7.294 0.000 . 1 . . . . . . . . 5884 1 999 . 1 1 82 82 ASP N N 15 116.845 0.000 . 1 . . . . . . . . 5884 1 1000 . 1 1 82 82 ASP CA C 13 56.284 0.000 . 1 . . . . . . . . 5884 1 1001 . 1 1 82 82 ASP HA H 1 4.816 0.000 . 1 . . . . . . . . 5884 1 1002 . 1 1 82 82 ASP C C 13 177.598 0.000 . 1 . . . . . . . . 5884 1 1003 . 1 1 82 82 ASP CB C 13 42.191 0.000 . 1 . . . . . . . . 5884 1 1004 . 1 1 82 82 ASP HB2 H 1 3.113 0.000 . 1 . . . . . . . . 5884 1 1005 . 1 1 82 82 ASP HB3 H 1 2.582 0.000 . 1 . . . . . . . . 5884 1 1006 . 1 1 83 83 GLY H H 1 7.507 0.000 . 1 . . . . . . . . 5884 1 1007 . 1 1 83 83 GLY N N 15 105.133 0.000 . 1 . . . . . . . . 5884 1 1008 . 1 1 83 83 GLY CA C 13 44.677 0.000 . 1 . . . . . . . . 5884 1 1009 . 1 1 83 83 GLY HA2 H 1 4.313 0.000 . 1 . . . . . . . . 5884 1 1010 . 1 1 83 83 GLY HA3 H 1 4.111 0.000 . 1 . . . . . . . . 5884 1 1011 . 1 1 83 83 GLY C C 13 172.663 0.000 . 1 . . . . . . . . 5884 1 1012 . 1 1 84 84 LEU H H 1 8.253 0.000 . 1 . . . . . . . . 5884 1 1013 . 1 1 84 84 LEU N N 15 116.989 0.000 . 1 . . . . . . . . 5884 1 1014 . 1 1 84 84 LEU CA C 13 55.303 0.000 . 1 . . . . . . . . 5884 1 1015 . 1 1 84 84 LEU HA H 1 4.514 0.000 . 1 . . . . . . . . 5884 1 1016 . 1 1 84 84 LEU C C 13 175.664 0.000 . 1 . . . . . . . . 5884 1 1017 . 1 1 84 84 LEU CB C 13 42.160 0.000 . 1 . . . . . . . . 5884 1 1018 . 1 1 84 84 LEU HB2 H 1 0.911 0.000 . 1 . . . . . . . . 5884 1 1019 . 1 1 84 84 LEU HB3 H 1 0.680 0.000 . 1 . . . . . . . . 5884 1 1020 . 1 1 84 84 LEU CG C 13 27.008 0.000 . 1 . . . . . . . . 5884 1 1021 . 1 1 84 84 LEU CD1 C 13 22.730 0.000 . 1 . . . . . . . . 5884 1 1022 . 1 1 84 84 LEU HD11 H 1 0.864 0.000 . 1 . . . . . . . . 5884 1 1023 . 1 1 84 84 LEU HD12 H 1 0.864 0.000 . 1 . . . . . . . . 5884 1 1024 . 1 1 84 84 LEU HD13 H 1 0.864 0.000 . 1 . . . . . . . . 5884 1 1025 . 1 1 84 84 LEU CD2 C 13 25.389 0.000 . 1 . . . . . . . . 5884 1 1026 . 1 1 84 84 LEU HD21 H 1 0.700 0.000 . 1 . . . . . . . . 5884 1 1027 . 1 1 84 84 LEU HD22 H 1 0.700 0.000 . 1 . . . . . . . . 5884 1 1028 . 1 1 84 84 LEU HD23 H 1 0.700 0.000 . 1 . . . . . . . . 5884 1 1029 . 1 1 84 84 LEU HG H 1 1.705 0.000 . 1 . . . . . . . . 5884 1 1030 . 1 1 85 85 LEU H H 1 8.141 0.000 . 1 . . . . . . . . 5884 1 1031 . 1 1 85 85 LEU N N 15 122.822 0.000 . 1 . . . . . . . . 5884 1 1032 . 1 1 85 85 LEU CA C 13 54.054 0.000 . 1 . . . . . . . . 5884 1 1033 . 1 1 85 85 LEU HA H 1 4.862 0.000 . 1 . . . . . . . . 5884 1 1034 . 1 1 85 85 LEU C C 13 175.210 0.000 . 1 . . . . . . . . 5884 1 1035 . 1 1 85 85 LEU CB C 13 45.665 0.000 . 1 . . . . . . . . 5884 1 1036 . 1 1 85 85 LEU HB2 H 1 1.826 0.000 . 1 . . . . . . . . 5884 1 1037 . 1 1 85 85 LEU HB3 H 1 1.626 0.000 . 1 . . . . . . . . 5884 1 1038 . 1 1 85 85 LEU CG C 13 27.652 0.000 . 1 . . . . . . . . 5884 1 1039 . 1 1 85 85 LEU CD1 C 13 26.314 0.000 . 1 . . . . . . . . 5884 1 1040 . 1 1 85 85 LEU HD11 H 1 0.681 0.000 . 1 . . . . . . . . 5884 1 1041 . 1 1 85 85 LEU HD12 H 1 0.681 0.000 . 1 . . . . . . . . 5884 1 1042 . 1 1 85 85 LEU HD13 H 1 0.681 0.000 . 1 . . . . . . . . 5884 1 1043 . 1 1 85 85 LEU CD2 C 13 20.784 0.000 . 1 . . . . . . . . 5884 1 1044 . 1 1 85 85 LEU HD21 H 1 -0.438 0.000 . 1 . . . . . . . . 5884 1 1045 . 1 1 85 85 LEU HD22 H 1 -0.438 0.000 . 1 . . . . . . . . 5884 1 1046 . 1 1 85 85 LEU HD23 H 1 -0.438 0.000 . 1 . . . . . . . . 5884 1 1047 . 1 1 85 85 LEU HG H 1 1.122 0.000 . 1 . . . . . . . . 5884 1 1048 . 1 1 86 86 THR H H 1 9.072 0.000 . 1 . . . . . . . . 5884 1 1049 . 1 1 86 86 THR N N 15 125.211 0.000 . 1 . . . . . . . . 5884 1 1050 . 1 1 86 86 THR CA C 13 61.731 0.000 . 1 . . . . . . . . 5884 1 1051 . 1 1 86 86 THR HA H 1 5.915 0.000 . 1 . . . . . . . . 5884 1 1052 . 1 1 86 86 THR C C 13 172.499 0.000 . 1 . . . . . . . . 5884 1 1053 . 1 1 86 86 THR CB C 13 71.328 0.000 . 1 . . . . . . . . 5884 1 1054 . 1 1 86 86 THR HB H 1 3.769 0.000 . 1 . . . . . . . . 5884 1 1055 . 1 1 86 86 THR CG2 C 13 22.660 0.000 . 1 . . . . . . . . 5884 1 1056 . 1 1 86 86 THR HG21 H 1 1.368 0.000 . 1 . . . . . . . . 5884 1 1057 . 1 1 86 86 THR HG22 H 1 1.368 0.000 . 1 . . . . . . . . 5884 1 1058 . 1 1 86 86 THR HG23 H 1 1.368 0.000 . 1 . . . . . . . . 5884 1 1059 . 1 1 87 87 VAL H H 1 9.556 0.000 . 1 . . . . . . . . 5884 1 1060 . 1 1 87 87 VAL N N 15 120.075 0.000 . 1 . . . . . . . . 5884 1 1061 . 1 1 87 87 VAL CA C 13 58.249 0.000 . 1 . . . . . . . . 5884 1 1062 . 1 1 87 87 VAL HA H 1 5.636 0.000 . 1 . . . . . . . . 5884 1 1063 . 1 1 87 87 VAL C C 13 174.817 0.000 . 1 . . . . . . . . 5884 1 1064 . 1 1 87 87 VAL CB C 13 34.788 0.000 . 1 . . . . . . . . 5884 1 1065 . 1 1 87 87 VAL HB H 1 2.001 0.000 . 1 . . . . . . . . 5884 1 1066 . 1 1 87 87 VAL CG1 C 13 20.950 0.000 . 1 . . . . . . . . 5884 1 1067 . 1 1 87 87 VAL HG11 H 1 0.945 0.000 . 1 . . . . . . . . 5884 1 1068 . 1 1 87 87 VAL HG12 H 1 0.945 0.000 . 1 . . . . . . . . 5884 1 1069 . 1 1 87 87 VAL HG13 H 1 0.945 0.000 . 1 . . . . . . . . 5884 1 1070 . 1 1 87 87 VAL CG2 C 13 21.933 0.000 . 1 . . . . . . . . 5884 1 1071 . 1 1 87 87 VAL HG21 H 1 0.484 0.000 . 1 . . . . . . . . 5884 1 1072 . 1 1 87 87 VAL HG22 H 1 0.484 0.000 . 1 . . . . . . . . 5884 1 1073 . 1 1 87 87 VAL HG23 H 1 0.484 0.000 . 1 . . . . . . . . 5884 1 1074 . 1 1 88 88 GLU H H 1 8.695 0.000 . 1 . . . . . . . . 5884 1 1075 . 1 1 88 88 GLU N N 15 121.989 0.000 . 1 . . . . . . . . 5884 1 1076 . 1 1 88 88 GLU CA C 13 54.331 0.000 . 1 . . . . . . . . 5884 1 1077 . 1 1 88 88 GLU HA H 1 5.859 0.000 . 1 . . . . . . . . 5884 1 1078 . 1 1 88 88 GLU C C 13 176.108 0.000 . 1 . . . . . . . . 5884 1 1079 . 1 1 88 88 GLU CB C 13 33.246 0.000 . 2 . . . . . . . . 5884 1 1080 . 1 1 88 88 GLU HB2 H 1 1.571 0.000 . 1 . . . . . . . . 5884 1 1081 . 1 1 88 88 GLU HB3 H 1 1.491 0.000 . 1 . . . . . . . . 5884 1 1082 . 1 1 88 88 GLU CG C 13 37.228 0.000 . 2 . . . . . . . . 5884 1 1083 . 1 1 88 88 GLU HG2 H 1 1.968 0.000 . 1 . . . . . . . . 5884 1 1084 . 1 1 88 88 GLU HG3 H 1 1.852 0.000 . 1 . . . . . . . . 5884 1 1085 . 1 1 89 89 CYS H H 1 9.124 0.000 . 1 . . . . . . . . 5884 1 1086 . 1 1 89 89 CYS N N 15 119.423 0.000 . 1 . . . . . . . . 5884 1 1087 . 1 1 89 89 CYS CA C 13 55.481 0.000 . 1 . . . . . . . . 5884 1 1088 . 1 1 89 89 CYS HA H 1 5.411 0.000 . 1 . . . . . . . . 5884 1 1089 . 1 1 89 89 CYS C C 13 172.497 0.000 . 1 . . . . . . . . 5884 1 1090 . 1 1 89 89 CYS CB C 13 33.572 0.000 . 1 . . . . . . . . 5884 1 1091 . 1 1 89 89 CYS HB2 H 1 3.420 0.000 . 2 . . . . . . . . 5884 1 1092 . 1 1 89 89 CYS HB3 H 1 2.904 0.000 . 1 . . . . . . . . 5884 1 1093 . 1 1 90 90 LYS H H 1 8.396 0.000 . 1 . . . . . . . . 5884 1 1094 . 1 1 90 90 LYS N N 15 118.438 0.000 . 1 . . . . . . . . 5884 1 1095 . 1 1 90 90 LYS CA C 13 56.312 0.000 . 1 . . . . . . . . 5884 1 1096 . 1 1 90 90 LYS HA H 1 4.548 0.000 . 1 . . . . . . . . 5884 1 1097 . 1 1 90 90 LYS C C 13 178.151 0.000 . 1 . . . . . . . . 5884 1 1098 . 1 1 90 90 LYS CB C 13 33.051 0.000 . 1 . . . . . . . . 5884 1 1099 . 1 1 90 90 LYS HB2 H 1 2.193 0.000 . 1 . . . . . . . . 5884 1 1100 . 1 1 90 90 LYS HB3 H 1 1.986 0.000 . 1 . . . . . . . . 5884 1 1101 . 1 1 90 90 LYS CG C 13 25.511 0.000 . 1 . . . . . . . . 5884 1 1102 . 1 1 90 90 LYS HG2 H 1 1.821 0.000 . 1 . . . . . . . . 5884 1 1103 . 1 1 90 90 LYS HG3 H 1 1.739 0.000 . 1 . . . . . . . . 5884 1 1104 . 1 1 90 90 LYS CD C 13 28.633 0.000 . 1 . . . . . . . . 5884 1 1105 . 1 1 90 90 LYS HD2 H 1 1.863 0.000 . 1 . . . . . . . . 5884 1 1106 . 1 1 90 90 LYS HD3 H 1 1.863 0.000 . 1 . . . . . . . . 5884 1 1107 . 1 1 90 90 LYS CE C 13 41.201 0.000 . 1 . . . . . . . . 5884 1 1108 . 1 1 90 90 LYS HE2 H 1 3.112 0.000 . 1 . . . . . . . . 5884 1 1109 . 1 1 90 90 LYS HE3 H 1 3.112 0.000 . 1 . . . . . . . . 5884 1 1110 . 1 1 91 91 LEU H H 1 8.299 0.000 . 1 . . . . . . . . 5884 1 1111 . 1 1 91 91 LEU N N 15 117.265 0.000 . 1 . . . . . . . . 5884 1 1112 . 1 1 91 91 LEU CA C 13 58.514 0.000 . 1 . . . . . . . . 5884 1 1113 . 1 1 91 91 LEU HA H 1 4.033 0.000 . 1 . . . . . . . . 5884 1 1114 . 1 1 91 91 LEU C C 13 176.996 0.000 . 1 . . . . . . . . 5884 1 1115 . 1 1 91 91 LEU CB C 13 41.710 0.000 . 1 . . . . . . . . 5884 1 1116 . 1 1 91 91 LEU HB2 H 1 1.528 0.000 . 1 . . . . . . . . 5884 1 1117 . 1 1 91 91 LEU HB3 H 1 1.331 0.000 . 1 . . . . . . . . 5884 1 1118 . 1 1 91 91 LEU CG C 13 27.473 0.000 . 1 . . . . . . . . 5884 1 1119 . 1 1 91 91 LEU CD1 C 13 23.014 0.000 . 1 . . . . . . . . 5884 1 1120 . 1 1 91 91 LEU HD11 H 1 0.631 0.000 . 1 . . . . . . . . 5884 1 1121 . 1 1 91 91 LEU HD12 H 1 0.631 0.000 . 1 . . . . . . . . 5884 1 1122 . 1 1 91 91 LEU HD13 H 1 0.631 0.000 . 1 . . . . . . . . 5884 1 1123 . 1 1 91 91 LEU CD2 C 13 24.887 0.000 . 1 . . . . . . . . 5884 1 1124 . 1 1 91 91 LEU HD21 H 1 0.587 0.000 . 1 . . . . . . . . 5884 1 1125 . 1 1 91 91 LEU HD22 H 1 0.587 0.000 . 1 . . . . . . . . 5884 1 1126 . 1 1 91 91 LEU HD23 H 1 0.587 0.000 . 1 . . . . . . . . 5884 1 1127 . 1 1 91 91 LEU HG H 1 1.734 0.000 . 1 . . . . . . . . 5884 1 1128 . 1 1 92 92 ASP H H 1 7.683 0.000 . 1 . . . . . . . . 5884 1 1129 . 1 1 92 92 ASP N N 15 108.883 0.000 . 1 . . . . . . . . 5884 1 1130 . 1 1 92 92 ASP CA C 13 52.181 0.000 . 1 . . . . . . . . 5884 1 1131 . 1 1 92 92 ASP HA H 1 4.417 0.000 . 1 . . . . . . . . 5884 1 1132 . 1 1 92 92 ASP C C 13 177.842 0.000 . 1 . . . . . . . . 5884 1 1133 . 1 1 92 92 ASP CB C 13 42.122 0.000 . 1 . . . . . . . . 5884 1 1134 . 1 1 92 92 ASP HB2 H 1 2.726 0.000 . 1 . . . . . . . . 5884 1 1135 . 1 1 92 92 ASP HB3 H 1 2.372 0.000 . 1 . . . . . . . . 5884 1 1136 . 1 1 93 93 HIS H H 1 7.755 0.000 . 1 . . . . . . . . 5884 1 1137 . 1 1 93 93 HIS N N 15 125.044 0.000 . 1 . . . . . . . . 5884 1 1138 . 1 1 93 93 HIS CA C 13 56.745 0.000 . 1 . . . . . . . . 5884 1 1139 . 1 1 93 93 HIS HA H 1 4.115 0.000 . 1 . . . . . . . . 5884 1 1140 . 1 1 93 93 HIS CB C 13 30.292 0.000 . 1 . . . . . . . . 5884 1 1141 . 1 1 93 93 HIS HB2 H 1 3.576 0.000 . 1 . . . . . . . . 5884 1 1142 . 1 1 93 93 HIS HB3 H 1 3.315 0.000 . 1 . . . . . . . . 5884 1 1143 . 1 1 93 93 HIS CD2 C 13 128.942 0.000 . 1 . . . . . . . . 5884 1 1144 . 1 1 93 93 HIS HD2 H 1 7.388 0.000 . 1 . . . . . . . . 5884 1 1145 . 1 1 93 93 HIS CE1 C 13 140.556 0.000 . 1 . . . . . . . . 5884 1 1146 . 1 1 93 93 HIS HE1 H 1 7.878 0.000 . 1 . . . . . . . . 5884 1 1147 . 1 1 93 93 HIS ND1 N 15 165.700 0.000 . 1 . . . . . . . . 5884 1 1148 . 1 1 93 93 HIS HD1 H 1 9.190 0.000 . 1 . . . . . . . . 5884 1 1149 . 1 1 94 94 PRO CA C 13 61.455 0.000 . 1 . . . . . . . . 5884 1 1150 . 1 1 94 94 PRO HA H 1 5.215 0.000 . 1 . . . . . . . . 5884 1 1151 . 1 1 94 94 PRO C C 13 176.680 0.000 . 1 . . . . . . . . 5884 1 1152 . 1 1 94 94 PRO CB C 13 32.242 0.000 . 1 . . . . . . . . 5884 1 1153 . 1 1 94 94 PRO HB2 H 1 2.062 0.000 . 1 . . . . . . . . 5884 1 1154 . 1 1 94 94 PRO HB3 H 1 1.700 0.000 . 1 . . . . . . . . 5884 1 1155 . 1 1 94 94 PRO CG C 13 25.779 0.000 . 1 . . . . . . . . 5884 1 1156 . 1 1 94 94 PRO HG2 H 1 1.576 0.000 . 1 . . . . . . . . 5884 1 1157 . 1 1 94 94 PRO HG3 H 1 0.954 0.000 . 1 . . . . . . . . 5884 1 1158 . 1 1 94 94 PRO CD C 13 49.416 0.000 . 1 . . . . . . . . 5884 1 1159 . 1 1 94 94 PRO HD2 H 1 3.165 0.000 . 1 . . . . . . . . 5884 1 1160 . 1 1 94 94 PRO HD3 H 1 2.707 0.000 . 1 . . . . . . . . 5884 1 1161 . 1 1 95 95 PHE H H 1 9.352 0.000 . 1 . . . . . . . . 5884 1 1162 . 1 1 95 95 PHE N N 15 117.668 0.000 . 1 . . . . . . . . 5884 1 1163 . 1 1 95 95 PHE CA C 13 57.967 0.000 . 1 . . . . . . . . 5884 1 1164 . 1 1 95 95 PHE HA H 1 4.806 0.000 . 1 . . . . . . . . 5884 1 1165 . 1 1 95 95 PHE C C 13 172.750 0.000 . 1 . . . . . . . . 5884 1 1166 . 1 1 95 95 PHE CB C 13 44.227 0.000 . 1 . . . . . . . . 5884 1 1167 . 1 1 95 95 PHE HB2 H 1 2.978 0.000 . 1 . . . . . . . . 5884 1 1168 . 1 1 95 95 PHE HB3 H 1 2.490 0.000 . 1 . . . . . . . . 5884 1 1169 . 1 1 95 95 PHE CD1 C 13 131.922 0.000 . 1 . . . . . . . . 5884 1 1170 . 1 1 95 95 PHE HD1 H 1 7.230 0.000 . 1 . . . . . . . . 5884 1 1171 . 1 1 95 95 PHE CD2 C 13 131.922 0.000 . 1 . . . . . . . . 5884 1 1172 . 1 1 95 95 PHE HD2 H 1 7.230 0.000 . 1 . . . . . . . . 5884 1 1173 . 1 1 95 95 PHE CE1 C 13 130.841 0.000 . 1 . . . . . . . . 5884 1 1174 . 1 1 95 95 PHE HE1 H 1 7.305 0.000 . 1 . . . . . . . . 5884 1 1175 . 1 1 95 95 PHE CE2 C 13 130.841 0.000 . 1 . . . . . . . . 5884 1 1176 . 1 1 95 95 PHE HE2 H 1 7.305 0.000 . 1 . . . . . . . . 5884 1 1177 . 1 1 95 95 PHE CZ C 13 129.355 0.000 . 1 . . . . . . . . 5884 1 1178 . 1 1 95 95 PHE HZ H 1 7.190 0.000 . 1 . . . . . . . . 5884 1 1179 . 1 1 96 96 TYR H H 1 10.145 0.000 . 1 . . . . . . . . 5884 1 1180 . 1 1 96 96 TYR N N 15 129.024 0.000 . 1 . . . . . . . . 5884 1 1181 . 1 1 96 96 TYR CA C 13 58.379 0.000 . 1 . . . . . . . . 5884 1 1182 . 1 1 96 96 TYR HA H 1 3.426 0.000 . 1 . . . . . . . . 5884 1 1183 . 1 1 96 96 TYR C C 13 174.218 0.000 . 1 . . . . . . . . 5884 1 1184 . 1 1 96 96 TYR CB C 13 37.852 0.000 . 1 . . . . . . . . 5884 1 1185 . 1 1 96 96 TYR HB2 H 1 2.702 0.000 . 1 . . . . . . . . 5884 1 1186 . 1 1 96 96 TYR HB3 H 1 0.810 0.000 . 1 . . . . . . . . 5884 1 1187 . 1 1 96 96 TYR CD1 C 13 131.946 0.000 . 1 . . . . . . . . 5884 1 1188 . 1 1 96 96 TYR HD1 H 1 5.520 0.000 . 1 . . . . . . . . 5884 1 1189 . 1 1 96 96 TYR CD2 C 13 131.946 0.000 . 1 . . . . . . . . 5884 1 1190 . 1 1 96 96 TYR HD2 H 1 5.520 0.000 . 1 . . . . . . . . 5884 1 1191 . 1 1 96 96 TYR CE1 C 13 118.608 0.000 . 1 . . . . . . . . 5884 1 1192 . 1 1 96 96 TYR HE1 H 1 6.513 0.000 . 1 . . . . . . . . 5884 1 1193 . 1 1 96 96 TYR CE2 C 13 118.608 0.000 . 1 . . . . . . . . 5884 1 1194 . 1 1 96 96 TYR HE2 H 1 6.513 0.000 . 1 . . . . . . . . 5884 1 1195 . 1 1 97 97 VAL H H 1 7.558 0.000 . 1 . . . . . . . . 5884 1 1196 . 1 1 97 97 VAL N N 15 129.912 0.000 . 1 . . . . . . . . 5884 1 1197 . 1 1 97 97 VAL CA C 13 60.476 0.000 . 1 . . . . . . . . 5884 1 1198 . 1 1 97 97 VAL HA H 1 4.681 0.000 . 1 . . . . . . . . 5884 1 1199 . 1 1 97 97 VAL C C 13 176.345 0.000 . 1 . . . . . . . . 5884 1 1200 . 1 1 97 97 VAL CB C 13 32.862 0.000 . 1 . . . . . . . . 5884 1 1201 . 1 1 97 97 VAL HB H 1 1.796 0.000 . 1 . . . . . . . . 5884 1 1202 . 1 1 97 97 VAL CG1 C 13 22.008 0.000 . 1 . . . . . . . . 5884 1 1203 . 1 1 97 97 VAL HG11 H 1 0.964 0.000 . 1 . . . . . . . . 5884 1 1204 . 1 1 97 97 VAL HG12 H 1 0.964 0.000 . 1 . . . . . . . . 5884 1 1205 . 1 1 97 97 VAL HG13 H 1 0.964 0.000 . 1 . . . . . . . . 5884 1 1206 . 1 1 97 97 VAL CG2 C 13 22.815 0.000 . 1 . . . . . . . . 5884 1 1207 . 1 1 97 97 VAL HG21 H 1 0.877 0.000 . 1 . . . . . . . . 5884 1 1208 . 1 1 97 97 VAL HG22 H 1 0.877 0.000 . 1 . . . . . . . . 5884 1 1209 . 1 1 97 97 VAL HG23 H 1 0.877 0.000 . 1 . . . . . . . . 5884 1 1210 . 1 1 98 98 LYS H H 1 8.855 0.000 . 1 . . . . . . . . 5884 1 1211 . 1 1 98 98 LYS N N 15 130.653 0.000 . 1 . . . . . . . . 5884 1 1212 . 1 1 98 98 LYS CA C 13 58.247 0.000 . 1 . . . . . . . . 5884 1 1213 . 1 1 98 98 LYS HA H 1 3.819 0.000 . 1 . . . . . . . . 5884 1 1214 . 1 1 98 98 LYS C C 13 176.480 0.000 . 1 . . . . . . . . 5884 1 1215 . 1 1 98 98 LYS CB C 13 33.394 0.000 . 1 . . . . . . . . 5884 1 1216 . 1 1 98 98 LYS HB2 H 1 1.887 0.000 . 1 . . . . . . . . 5884 1 1217 . 1 1 98 98 LYS HB3 H 1 1.450 0.000 . 1 . . . . . . . . 5884 1 1218 . 1 1 98 98 LYS CG C 13 25.243 0.000 . 1 . . . . . . . . 5884 1 1219 . 1 1 98 98 LYS HG2 H 1 1.412 0.000 . 1 . . . . . . . . 5884 1 1220 . 1 1 98 98 LYS HG3 H 1 1.364 0.000 . 1 . . . . . . . . 5884 1 1221 . 1 1 98 98 LYS CD C 13 29.793 0.000 . 1 . . . . . . . . 5884 1 1222 . 1 1 98 98 LYS HD2 H 1 1.648 0.000 . 1 . . . . . . . . 5884 1 1223 . 1 1 98 98 LYS HD3 H 1 1.648 0.000 . 1 . . . . . . . . 5884 1 1224 . 1 1 98 98 LYS CE C 13 42.013 0.000 . 1 . . . . . . . . 5884 1 1225 . 1 1 98 98 LYS HE2 H 1 2.985 0.000 . 1 . . . . . . . . 5884 1 1226 . 1 1 98 98 LYS HE3 H 1 2.985 0.000 . 1 . . . . . . . . 5884 1 1227 . 1 1 99 99 ASN H H 1 9.285 0.000 . 1 . . . . . . . . 5884 1 1228 . 1 1 99 99 ASN N N 15 120.404 0.000 . 1 . . . . . . . . 5884 1 1229 . 1 1 99 99 ASN CA C 13 55.481 0.000 . 1 . . . . . . . . 5884 1 1230 . 1 1 99 99 ASN HA H 1 4.324 0.000 . 1 . . . . . . . . 5884 1 1231 . 1 1 99 99 ASN C C 13 173.341 0.000 . 1 . . . . . . . . 5884 1 1232 . 1 1 99 99 ASN CB C 13 37.382 0.000 . 1 . . . . . . . . 5884 1 1233 . 1 1 99 99 ASN HB2 H 1 3.149 0.000 . 1 . . . . . . . . 5884 1 1234 . 1 1 99 99 ASN HB3 H 1 3.087 0.000 . 1 . . . . . . . . 5884 1 1235 . 1 1 99 99 ASN ND2 N 15 112.692 0.000 . 1 . . . . . . . . 5884 1 1236 . 1 1 99 99 ASN HD21 H 1 7.659 0.000 . 1 . . . . . . . . 5884 1 1237 . 1 1 99 99 ASN HD22 H 1 7.052 0.000 . 1 . . . . . . . . 5884 1 1238 . 1 1 100 100 LYS H H 1 7.852 0.000 . 1 . . . . . . . . 5884 1 1239 . 1 1 100 100 LYS N N 15 119.597 0.000 . 1 . . . . . . . . 5884 1 1240 . 1 1 100 100 LYS CA C 13 58.068 0.000 . 1 . . . . . . . . 5884 1 1241 . 1 1 100 100 LYS HA H 1 4.325 0.000 . 1 . . . . . . . . 5884 1 1242 . 1 1 100 100 LYS C C 13 175.324 0.000 . 1 . . . . . . . . 5884 1 1243 . 1 1 100 100 LYS CB C 13 35.307 0.000 . 1 . . . . . . . . 5884 1 1244 . 1 1 100 100 LYS HB2 H 1 1.462 0.000 . 1 . . . . . . . . 5884 1 1245 . 1 1 100 100 LYS HB3 H 1 1.349 0.000 . 1 . . . . . . . . 5884 1 1246 . 1 1 100 100 LYS CG C 13 24.708 0.000 . 1 . . . . . . . . 5884 1 1247 . 1 1 100 100 LYS HG2 H 1 1.331 0.000 . 1 . . . . . . . . 5884 1 1248 . 1 1 100 100 LYS HG3 H 1 1.071 0.000 . 1 . . . . . . . . 5884 1 1249 . 1 1 100 100 LYS CD C 13 29.882 0.000 . 1 . . . . . . . . 5884 1 1250 . 1 1 100 100 LYS HD2 H 1 1.560 0.000 . 1 . . . . . . . . 5884 1 1251 . 1 1 100 100 LYS HD3 H 1 1.560 0.000 . 1 . . . . . . . . 5884 1 1252 . 1 1 100 100 LYS CE C 13 41.656 0.000 . 1 . . . . . . . . 5884 1 1253 . 1 1 100 100 LYS HE2 H 1 2.855 0.000 . 1 . . . . . . . . 5884 1 1254 . 1 1 100 100 LYS HE3 H 1 2.855 0.000 . 1 . . . . . . . . 5884 1 1255 . 1 1 101 101 GLY H H 1 8.744 0.000 . 1 . . . . . . . . 5884 1 1256 . 1 1 101 101 GLY N N 15 107.481 0.000 . 1 . . . . . . . . 5884 1 1257 . 1 1 101 101 GLY CA C 13 42.141 0.000 . 1 . . . . . . . . 5884 1 1258 . 1 1 101 101 GLY HA2 H 1 4.154 0.000 . 1 . . . . . . . . 5884 1 1259 . 1 1 101 101 GLY HA3 H 1 2.222 0.000 . 1 . . . . . . . . 5884 1 1260 . 1 1 101 101 GLY C C 13 175.012 0.000 . 1 . . . . . . . . 5884 1 1261 . 1 1 102 102 TRP H H 1 8.351 0.000 . 1 . . . . . . . . 5884 1 1262 . 1 1 102 102 TRP N N 15 125.008 0.000 . 1 . . . . . . . . 5884 1 1263 . 1 1 102 102 TRP CA C 13 59.476 0.000 . 1 . . . . . . . . 5884 1 1264 . 1 1 102 102 TRP HA H 1 4.641 0.000 . 1 . . . . . . . . 5884 1 1265 . 1 1 102 102 TRP C C 13 177.492 0.000 . 1 . . . . . . . . 5884 1 1266 . 1 1 102 102 TRP CB C 13 29.791 0.000 . 1 . . . . . . . . 5884 1 1267 . 1 1 102 102 TRP HB2 H 1 3.332 0.000 . 1 . . . . . . . . 5884 1 1268 . 1 1 102 102 TRP HB3 H 1 3.125 0.000 . 1 . . . . . . . . 5884 1 1269 . 1 1 102 102 TRP CD1 C 13 127.075 0.000 . 1 . . . . . . . . 5884 1 1270 . 1 1 102 102 TRP HD1 H 1 7.396 0.000 . 1 . . . . . . . . 5884 1 1271 . 1 1 102 102 TRP NE1 N 15 127.710 0.000 . 1 . . . . . . . . 5884 1 1272 . 1 1 102 102 TRP HE1 H 1 10.254 0.000 . 1 . . . . . . . . 5884 1 1273 . 1 1 102 102 TRP CE3 C 13 119.682 0.000 . 1 . . . . . . . . 5884 1 1274 . 1 1 102 102 TRP HE3 H 1 7.244 0.000 . 1 . . . . . . . . 5884 1 1275 . 1 1 102 102 TRP CZ2 C 13 113.942 0.000 . 1 . . . . . . . . 5884 1 1276 . 1 1 102 102 TRP HZ2 H 1 7.001 0.000 . 1 . . . . . . . . 5884 1 1277 . 1 1 102 102 TRP CZ3 C 13 121.175 0.000 . 1 . . . . . . . . 5884 1 1278 . 1 1 102 102 TRP HZ3 H 1 6.455 0.000 . 1 . . . . . . . . 5884 1 1279 . 1 1 102 102 TRP CH2 C 13 124.795 0.000 . 1 . . . . . . . . 5884 1 1280 . 1 1 102 102 TRP HH2 H 1 6.477 0.000 . 1 . . . . . . . . 5884 1 1281 . 1 1 103 103 SER H H 1 10.072 0.000 . 1 . . . . . . . . 5884 1 1282 . 1 1 103 103 SER N N 15 119.958 0.000 . 1 . . . . . . . . 5884 1 1283 . 1 1 103 103 SER CA C 13 57.951 0.000 . 1 . . . . . . . . 5884 1 1284 . 1 1 103 103 SER HA H 1 5.643 0.000 . 1 . . . . . . . . 5884 1 1285 . 1 1 103 103 SER C C 13 171.748 0.000 . 1 . . . . . . . . 5884 1 1286 . 1 1 103 103 SER CB C 13 67.511 0.000 . 1 . . . . . . . . 5884 1 1287 . 1 1 103 103 SER HB2 H 1 3.427 0.000 . 1 . . . . . . . . 5884 1 1288 . 1 1 103 103 SER HB3 H 1 3.301 0.000 . 1 . . . . . . . . 5884 1 1289 . 1 1 104 104 SER H H 1 8.704 0.000 . 1 . . . . . . . . 5884 1 1290 . 1 1 104 104 SER N N 15 115.846 0.000 . 1 . . . . . . . . 5884 1 1291 . 1 1 104 104 SER CA C 13 56.311 0.000 . 1 . . . . . . . . 5884 1 1292 . 1 1 104 104 SER HA H 1 4.910 0.000 . 1 . . . . . . . . 5884 1 1293 . 1 1 104 104 SER C C 13 174.106 0.000 . 1 . . . . . . . . 5884 1 1294 . 1 1 104 104 SER CB C 13 65.704 0.000 . 1 . . . . . . . . 5884 1 1295 . 1 1 104 104 SER HB2 H 1 4.503 0.000 . 1 . . . . . . . . 5884 1 1296 . 1 1 104 104 SER HB3 H 1 3.330 0.000 . 1 . . . . . . . . 5884 1 1297 . 1 1 105 105 PHE H H 1 10.252 0.000 . 1 . . . . . . . . 5884 1 1298 . 1 1 105 105 PHE N N 15 124.303 0.000 . 1 . . . . . . . . 5884 1 1299 . 1 1 105 105 PHE CA C 13 61.665 0.000 . 1 . . . . . . . . 5884 1 1300 . 1 1 105 105 PHE HA H 1 4.116 0.000 . 1 . . . . . . . . 5884 1 1301 . 1 1 105 105 PHE C C 13 175.982 0.000 . 1 . . . . . . . . 5884 1 1302 . 1 1 105 105 PHE CB C 13 39.553 0.000 . 1 . . . . . . . . 5884 1 1303 . 1 1 105 105 PHE HB2 H 1 3.122 0.000 . 1 . . . . . . . . 5884 1 1304 . 1 1 105 105 PHE HB3 H 1 2.861 0.000 . 1 . . . . . . . . 5884 1 1305 . 1 1 105 105 PHE CD1 C 13 132.444 0.000 . 1 . . . . . . . . 5884 1 1306 . 1 1 105 105 PHE HD1 H 1 7.396 0.000 . 1 . . . . . . . . 5884 1 1307 . 1 1 105 105 PHE CD2 C 13 132.444 0.000 . 1 . . . . . . . . 5884 1 1308 . 1 1 105 105 PHE HD2 H 1 7.396 0.000 . 1 . . . . . . . . 5884 1 1309 . 1 1 105 105 PHE CE1 C 13 130.707 0.000 . 1 . . . . . . . . 5884 1 1310 . 1 1 105 105 PHE HE1 H 1 6.571 0.000 . 1 . . . . . . . . 5884 1 1311 . 1 1 105 105 PHE CE2 C 13 130.707 0.000 . 1 . . . . . . . . 5884 1 1312 . 1 1 105 105 PHE HE2 H 1 6.571 0.000 . 1 . . . . . . . . 5884 1 1313 . 1 1 105 105 PHE CZ C 13 129.424 0.000 . 1 . . . . . . . . 5884 1 1314 . 1 1 105 105 PHE HZ H 1 6.711 0.000 . 1 . . . . . . . . 5884 1 1315 . 1 1 106 106 TYR H H 1 8.520 0.000 . 1 . . . . . . . . 5884 1 1316 . 1 1 106 106 TYR N N 15 116.669 0.000 . 1 . . . . . . . . 5884 1 1317 . 1 1 106 106 TYR CA C 13 56.174 0.000 . 1 . . . . . . . . 5884 1 1318 . 1 1 106 106 TYR HA H 1 4.764 0.000 . 1 . . . . . . . . 5884 1 1319 . 1 1 106 106 TYR CB C 13 40.637 0.000 . 1 . . . . . . . . 5884 1 1320 . 1 1 106 106 TYR HB2 H 1 3.070 0.000 . 1 . . . . . . . . 5884 1 1321 . 1 1 106 106 TYR HB3 H 1 2.713 0.000 . 1 . . . . . . . . 5884 1 1322 . 1 1 106 106 TYR CD1 C 13 133.727 0.000 . 1 . . . . . . . . 5884 1 1323 . 1 1 106 106 TYR HD1 H 1 7.307 0.000 . 1 . . . . . . . . 5884 1 1324 . 1 1 106 106 TYR CD2 C 13 133.727 0.000 . 1 . . . . . . . . 5884 1 1325 . 1 1 106 106 TYR HD2 H 1 7.307 0.000 . 1 . . . . . . . . 5884 1 1326 . 1 1 106 106 TYR CE1 C 13 118.202 0.000 . 1 . . . . . . . . 5884 1 1327 . 1 1 106 106 TYR HE1 H 1 6.868 0.000 . 1 . . . . . . . . 5884 1 1328 . 1 1 106 106 TYR CE2 C 13 118.202 0.000 . 1 . . . . . . . . 5884 1 1329 . 1 1 106 106 TYR HE2 H 1 6.868 0.000 . 1 . . . . . . . . 5884 1 1330 . 1 1 107 107 PRO CA C 13 66.544 0.000 . 1 . . . . . . . . 5884 1 1331 . 1 1 107 107 PRO HA H 1 4.022 0.000 . 1 . . . . . . . . 5884 1 1332 . 1 1 107 107 PRO C C 13 178.738 0.000 . 1 . . . . . . . . 5884 1 1333 . 1 1 107 107 PRO CB C 13 32.287 0.000 . 1 . . . . . . . . 5884 1 1334 . 1 1 107 107 PRO HB2 H 1 2.487 0.000 . 1 . . . . . . . . 5884 1 1335 . 1 1 107 107 PRO HB3 H 1 2.021 0.000 . 1 . . . . . . . . 5884 1 1336 . 1 1 107 107 PRO CG C 13 27.083 0.000 . 1 . . . . . . . . 5884 1 1337 . 1 1 107 107 PRO HG2 H 1 2.032 0.000 . 1 . . . . . . . . 5884 1 1338 . 1 1 107 107 PRO HG3 H 1 1.645 0.000 . 1 . . . . . . . . 5884 1 1339 . 1 1 107 107 PRO CD C 13 49.026 0.000 . 1 . . . . . . . . 5884 1 1340 . 1 1 107 107 PRO HD2 H 1 3.711 0.000 . 1 . . . . . . . . 5884 1 1341 . 1 1 107 107 PRO HD3 H 1 3.412 0.000 . 1 . . . . . . . . 5884 1 1342 . 1 1 108 108 SER H H 1 8.709 0.000 . 1 . . . . . . . . 5884 1 1343 . 1 1 108 108 SER N N 15 111.847 0.000 . 1 . . . . . . . . 5884 1 1344 . 1 1 108 108 SER CA C 13 61.499 0.000 . 1 . . . . . . . . 5884 1 1345 . 1 1 108 108 SER HA H 1 4.293 0.000 . 1 . . . . . . . . 5884 1 1346 . 1 1 108 108 SER C C 13 176.284 0.000 . 1 . . . . . . . . 5884 1 1347 . 1 1 108 108 SER CB C 13 62.195 0.000 . 1 . . . . . . . . 5884 1 1348 . 1 1 108 108 SER HB2 H 1 3.995 0.000 . 1 . . . . . . . . 5884 1 1349 . 1 1 108 108 SER HB3 H 1 3.995 0.000 . 1 . . . . . . . . 5884 1 1350 . 1 1 109 109 LEU H H 1 7.602 0.000 . 1 . . . . . . . . 5884 1 1351 . 1 1 109 109 LEU N N 15 121.893 0.000 . 1 . . . . . . . . 5884 1 1352 . 1 1 109 109 LEU CA C 13 56.659 0.000 . 1 . . . . . . . . 5884 1 1353 . 1 1 109 109 LEU HA H 1 4.458 0.000 . 1 . . . . . . . . 5884 1 1354 . 1 1 109 109 LEU C C 13 179.627 0.000 . 1 . . . . . . . . 5884 1 1355 . 1 1 109 109 LEU CB C 13 42.135 0.000 . 1 . . . . . . . . 5884 1 1356 . 1 1 109 109 LEU HB2 H 1 1.969 0.000 . 1 . . . . . . . . 5884 1 1357 . 1 1 109 109 LEU HB3 H 1 1.793 0.000 . 1 . . . . . . . . 5884 1 1358 . 1 1 109 109 LEU CG C 13 27.446 0.000 . 1 . . . . . . . . 5884 1 1359 . 1 1 109 109 LEU CD1 C 13 22.923 0.000 . 1 . . . . . . . . 5884 1 1360 . 1 1 109 109 LEU HD11 H 1 0.842 0.000 . 1 . . . . . . . . 5884 1 1361 . 1 1 109 109 LEU HD12 H 1 0.842 0.000 . 1 . . . . . . . . 5884 1 1362 . 1 1 109 109 LEU HD13 H 1 0.842 0.000 . 1 . . . . . . . . 5884 1 1363 . 1 1 109 109 LEU CD2 C 13 24.630 0.000 . 1 . . . . . . . . 5884 1 1364 . 1 1 109 109 LEU HD21 H 1 0.791 0.000 . 1 . . . . . . . . 5884 1 1365 . 1 1 109 109 LEU HD22 H 1 0.791 0.000 . 1 . . . . . . . . 5884 1 1366 . 1 1 109 109 LEU HD23 H 1 0.791 0.000 . 1 . . . . . . . . 5884 1 1367 . 1 1 109 109 LEU HG H 1 1.737 0.000 . 1 . . . . . . . . 5884 1 1368 . 1 1 110 110 THR H H 1 8.528 0.000 . 1 . . . . . . . . 5884 1 1369 . 1 1 110 110 THR N N 15 117.965 0.000 . 1 . . . . . . . . 5884 1 1370 . 1 1 110 110 THR CA C 13 68.056 0.000 . 1 . . . . . . . . 5884 1 1371 . 1 1 110 110 THR HA H 1 4.011 0.050 . 1 . . . . . . . . 5884 1 1372 . 1 1 110 110 THR C C 13 176.406 0.000 . 1 . . . . . . . . 5884 1 1373 . 1 1 110 110 THR CB C 13 68.795 0.000 . 1 . . . . . . . . 5884 1 1374 . 1 1 110 110 THR HB H 1 4.120 0.000 . 1 . . . . . . . . 5884 1 1375 . 1 1 110 110 THR CG2 C 13 24.363 0.000 . 1 . . . . . . . . 5884 1 1376 . 1 1 110 110 THR HG21 H 1 1.450 0.000 . 1 . . . . . . . . 5884 1 1377 . 1 1 110 110 THR HG22 H 1 1.450 0.000 . 1 . . . . . . . . 5884 1 1378 . 1 1 110 110 THR HG23 H 1 1.450 0.000 . 1 . . . . . . . . 5884 1 1379 . 1 1 111 111 VAL H H 1 8.195 0.000 . 1 . . . . . . . . 5884 1 1380 . 1 1 111 111 VAL N N 15 121.130 0.000 . 1 . . . . . . . . 5884 1 1381 . 1 1 111 111 VAL CA C 13 65.663 0.000 . 1 . . . . . . . . 5884 1 1382 . 1 1 111 111 VAL HA H 1 3.758 0.000 . 1 . . . . . . . . 5884 1 1383 . 1 1 111 111 VAL C C 13 177.302 0.000 . 1 . . . . . . . . 5884 1 1384 . 1 1 111 111 VAL CB C 13 31.193 0.000 . 1 . . . . . . . . 5884 1 1385 . 1 1 111 111 VAL HB H 1 2.195 0.000 . 1 . . . . . . . . 5884 1 1386 . 1 1 111 111 VAL CG1 C 13 20.338 0.000 . 1 . . . . . . . . 5884 1 1387 . 1 1 111 111 VAL HG11 H 1 1.023 0.000 . 1 . . . . . . . . 5884 1 1388 . 1 1 111 111 VAL HG12 H 1 1.023 0.000 . 1 . . . . . . . . 5884 1 1389 . 1 1 111 111 VAL HG13 H 1 1.023 0.000 . 1 . . . . . . . . 5884 1 1390 . 1 1 111 111 VAL CG2 C 13 22.300 0.000 . 1 . . . . . . . . 5884 1 1391 . 1 1 111 111 VAL HG21 H 1 0.875 0.000 . 1 . . . . . . . . 5884 1 1392 . 1 1 111 111 VAL HG22 H 1 0.875 0.000 . 1 . . . . . . . . 5884 1 1393 . 1 1 111 111 VAL HG23 H 1 0.875 0.000 . 1 . . . . . . . . 5884 1 1394 . 1 1 112 112 VAL H H 1 6.742 0.000 . 1 . . . . . . . . 5884 1 1395 . 1 1 112 112 VAL N N 15 121.159 0.000 . 1 . . . . . . . . 5884 1 1396 . 1 1 112 112 VAL CA C 13 65.471 0.000 . 1 . . . . . . . . 5884 1 1397 . 1 1 112 112 VAL HA H 1 3.786 0.000 . 1 . . . . . . . . 5884 1 1398 . 1 1 112 112 VAL C C 13 177.314 0.000 . 1 . . . . . . . . 5884 1 1399 . 1 1 112 112 VAL CB C 13 32.537 0.000 . 1 . . . . . . . . 5884 1 1400 . 1 1 112 112 VAL HB H 1 2.122 0.000 . 1 . . . . . . . . 5884 1 1401 . 1 1 112 112 VAL CG1 C 13 22.655 0.000 . 1 . . . . . . . . 5884 1 1402 . 1 1 112 112 VAL HG11 H 1 1.127 0.000 . 1 . . . . . . . . 5884 1 1403 . 1 1 112 112 VAL HG12 H 1 1.127 0.000 . 1 . . . . . . . . 5884 1 1404 . 1 1 112 112 VAL HG13 H 1 1.127 0.000 . 1 . . . . . . . . 5884 1 1405 . 1 1 112 112 VAL CG2 C 13 21.366 0.000 . 1 . . . . . . . . 5884 1 1406 . 1 1 112 112 VAL HG21 H 1 0.964 0.000 . 1 . . . . . . . . 5884 1 1407 . 1 1 112 112 VAL HG22 H 1 0.964 0.000 . 1 . . . . . . . . 5884 1 1408 . 1 1 112 112 VAL HG23 H 1 0.964 0.000 . 1 . . . . . . . . 5884 1 1409 . 1 1 113 113 GLN H H 1 7.883 0.000 . 1 . . . . . . . . 5884 1 1410 . 1 1 113 113 GLN N N 15 116.640 0.000 . 1 . . . . . . . . 5884 1 1411 . 1 1 113 113 GLN CA C 13 57.530 0.000 . 1 . . . . . . . . 5884 1 1412 . 1 1 113 113 GLN HA H 1 3.989 0.000 . 1 . . . . . . . . 5884 1 1413 . 1 1 113 113 GLN C C 13 176.972 0.000 . 1 . . . . . . . . 5884 1 1414 . 1 1 113 113 GLN CB C 13 30.115 0.000 . 1 . . . . . . . . 5884 1 1415 . 1 1 113 113 GLN HB2 H 1 1.819 0.000 . 1 . . . . . . . . 5884 1 1416 . 1 1 113 113 GLN HB3 H 1 1.481 0.000 . 1 . . . . . . . . 5884 1 1417 . 1 1 113 113 GLN CG C 13 33.621 0.000 . 1 . . . . . . . . 5884 1 1418 . 1 1 113 113 GLN HG2 H 1 2.181 0.000 . 1 . . . . . . . . 5884 1 1419 . 1 1 113 113 GLN HG3 H 1 1.821 0.000 . 1 . . . . . . . . 5884 1 1420 . 1 1 113 113 GLN NE2 N 15 112.109 0.000 . 1 . . . . . . . . 5884 1 1421 . 1 1 113 113 GLN HE21 H 1 7.406 0.000 . 1 . . . . . . . . 5884 1 1422 . 1 1 113 113 GLN HE22 H 1 6.726 0.000 . 1 . . . . . . . . 5884 1 1423 . 1 1 114 114 HIS H H 1 8.369 0.000 . 1 . . . . . . . . 5884 1 1424 . 1 1 114 114 HIS N N 15 112.063 0.000 . 1 . . . . . . . . 5884 1 1425 . 1 1 114 114 HIS CA C 13 55.964 0.000 . 1 . . . . . . . . 5884 1 1426 . 1 1 114 114 HIS HA H 1 4.737 0.000 . 1 . . . . . . . . 5884 1 1427 . 1 1 114 114 HIS C C 13 176.406 0.000 . 1 . . . . . . . . 5884 1 1428 . 1 1 114 114 HIS CB C 13 33.157 0.000 . 1 . . . . . . . . 5884 1 1429 . 1 1 114 114 HIS HB2 H 1 2.967 0.000 . 1 . . . . . . . . 5884 1 1430 . 1 1 114 114 HIS HB3 H 1 2.675 0.000 . 1 . . . . . . . . 5884 1 1431 . 1 1 114 114 HIS CD2 C 13 118.297 0.000 . 1 . . . . . . . . 5884 1 1432 . 1 1 114 114 HIS HD2 H 1 6.976 0.000 . 1 . . . . . . . . 5884 1 1433 . 1 1 114 114 HIS CE1 C 13 139.266 0.000 . 1 . . . . . . . . 5884 1 1434 . 1 1 114 114 HIS HE1 H 1 7.608 0.000 . 1 . . . . . . . . 5884 1 1435 . 1 1 115 115 GLY H H 1 7.469 0.000 . 1 . . . . . . . . 5884 1 1436 . 1 1 115 115 GLY N N 15 107.824 0.000 . 1 . . . . . . . . 5884 1 1437 . 1 1 115 115 GLY CA C 13 46.301 0.000 . 1 . . . . . . . . 5884 1 1438 . 1 1 115 115 GLY HA2 H 1 3.980 0.000 . 1 . . . . . . . . 5884 1 1439 . 1 1 115 115 GLY HA3 H 1 3.980 0.000 . 1 . . . . . . . . 5884 1 1440 . 1 1 115 115 GLY C C 13 173.353 0.000 . 1 . . . . . . . . 5884 1 1441 . 1 1 116 116 ILE H H 1 6.128 0.000 . 1 . . . . . . . . 5884 1 1442 . 1 1 116 116 ILE N N 15 117.490 0.000 . 1 . . . . . . . . 5884 1 1443 . 1 1 116 116 ILE CA C 13 57.612 0.000 . 1 . . . . . . . . 5884 1 1444 . 1 1 116 116 ILE HA H 1 4.368 0.000 . 1 . . . . . . . . 5884 1 1445 . 1 1 116 116 ILE CB C 13 41.480 0.000 . 1 . . . . . . . . 5884 1 1446 . 1 1 116 116 ILE HB H 1 0.969 0.000 . 1 . . . . . . . . 5884 1 1447 . 1 1 116 116 ILE CG2 C 13 17.109 0.000 . 1 . . . . . . . . 5884 1 1448 . 1 1 116 116 ILE HG21 H 1 0.215 0.000 . 1 . . . . . . . . 5884 1 1449 . 1 1 116 116 ILE HG22 H 1 0.215 0.000 . 1 . . . . . . . . 5884 1 1450 . 1 1 116 116 ILE HG23 H 1 0.215 0.000 . 1 . . . . . . . . 5884 1 1451 . 1 1 116 116 ILE CG1 C 13 25.782 0.000 . 1 . . . . . . . . 5884 1 1452 . 1 1 116 116 ILE HG12 H 1 1.100 0.000 . 1 . . . . . . . . 5884 1 1453 . 1 1 116 116 ILE HG13 H 1 0.356 0.000 . 1 . . . . . . . . 5884 1 1454 . 1 1 116 116 ILE CD1 C 13 12.599 0.000 . 1 . . . . . . . . 5884 1 1455 . 1 1 116 116 ILE HD11 H 1 -0.255 0.000 . 1 . . . . . . . . 5884 1 1456 . 1 1 116 116 ILE HD12 H 1 -0.255 0.000 . 1 . . . . . . . . 5884 1 1457 . 1 1 116 116 ILE HD13 H 1 -0.255 0.000 . 1 . . . . . . . . 5884 1 1458 . 1 1 117 117 PRO CA C 13 62.439 0.000 . 1 . . . . . . . . 5884 1 1459 . 1 1 117 117 PRO HA H 1 4.482 0.000 . 1 . . . . . . . . 5884 1 1460 . 1 1 117 117 PRO C C 13 176.702 0.000 . 1 . . . . . . . . 5884 1 1461 . 1 1 117 117 PRO CB C 13 31.577 0.000 . 1 . . . . . . . . 5884 1 1462 . 1 1 117 117 PRO HB2 H 1 2.253 0.000 . 1 . . . . . . . . 5884 1 1463 . 1 1 117 117 PRO HB3 H 1 1.966 0.000 . 1 . . . . . . . . 5884 1 1464 . 1 1 117 117 PRO CG C 13 27.355 0.000 . 1 . . . . . . . . 5884 1 1465 . 1 1 117 117 PRO HG2 H 1 2.209 0.000 . 1 . . . . . . . . 5884 1 1466 . 1 1 117 117 PRO HG3 H 1 1.940 0.000 . 1 . . . . . . . . 5884 1 1467 . 1 1 117 117 PRO CD C 13 50.665 0.000 . 1 . . . . . . . . 5884 1 1468 . 1 1 117 117 PRO HD2 H 1 3.975 0.000 . 1 . . . . . . . . 5884 1 1469 . 1 1 117 117 PRO HD3 H 1 3.675 0.000 . 1 . . . . . . . . 5884 1 1470 . 1 1 118 118 CYS H H 1 8.441 0.000 . 1 . . . . . . . . 5884 1 1471 . 1 1 118 118 CYS N N 15 120.033 0.000 . 1 . . . . . . . . 5884 1 1472 . 1 1 118 118 CYS CA C 13 58.392 0.000 . 1 . . . . . . . . 5884 1 1473 . 1 1 118 118 CYS HA H 1 5.045 0.000 . 1 . . . . . . . . 5884 1 1474 . 1 1 118 118 CYS C C 13 174.598 0.000 . 1 . . . . . . . . 5884 1 1475 . 1 1 118 118 CYS CB C 13 32.558 0.000 . 1 . . . . . . . . 5884 1 1476 . 1 1 118 118 CYS HB2 H 1 2.837 0.000 . 1 . . . . . . . . 5884 1 1477 . 1 1 118 118 CYS HB3 H 1 2.646 0.000 . 1 . . . . . . . . 5884 1 1478 . 1 1 119 119 CYS H H 1 8.596 0.000 . 1 . . . . . . . . 5884 1 1479 . 1 1 119 119 CYS N N 15 118.995 0.000 . 1 . . . . . . . . 5884 1 1480 . 1 1 119 119 CYS CA C 13 56.918 0.000 . 1 . . . . . . . . 5884 1 1481 . 1 1 119 119 CYS HA H 1 4.765 0.000 . 1 . . . . . . . . 5884 1 1482 . 1 1 119 119 CYS C C 13 173.555 0.000 . 1 . . . . . . . . 5884 1 1483 . 1 1 119 119 CYS CB C 13 29.157 0.000 . 1 . . . . . . . . 5884 1 1484 . 1 1 119 119 CYS HB2 H 1 2.995 0.000 . 1 . . . . . . . . 5884 1 1485 . 1 1 119 119 CYS HB3 H 1 2.939 0.000 . 1 . . . . . . . . 5884 1 1486 . 1 1 120 120 GLU H H 1 8.486 0.000 . 1 . . . . . . . . 5884 1 1487 . 1 1 120 120 GLU N N 15 120.491 0.000 . 1 . . . . . . . . 5884 1 1488 . 1 1 120 120 GLU CA C 13 56.541 0.000 . 1 . . . . . . . . 5884 1 1489 . 1 1 120 120 GLU HA H 1 4.563 0.000 . 1 . . . . . . . . 5884 1 1490 . 1 1 120 120 GLU C C 13 175.910 0.000 . 1 . . . . . . . . 5884 1 1491 . 1 1 120 120 GLU CB C 13 30.383 0.000 . 1 . . . . . . . . 5884 1 1492 . 1 1 120 120 GLU HB2 H 1 1.847 0.000 . 1 . . . . . . . . 5884 1 1493 . 1 1 120 120 GLU HB3 H 1 1.847 0.000 . 1 . . . . . . . . 5884 1 1494 . 1 1 120 120 GLU CG C 13 36.497 0.000 . 1 . . . . . . . . 5884 1 1495 . 1 1 120 120 GLU HG2 H 1 2.212 0.000 . 1 . . . . . . . . 5884 1 1496 . 1 1 120 120 GLU HG3 H 1 2.212 0.000 . 1 . . . . . . . . 5884 1 1497 . 1 1 121 121 ILE H H 1 7.082 0.000 . 1 . . . . . . . . 5884 1 1498 . 1 1 121 121 ILE N N 15 125.584 0.000 . 1 . . . . . . . . 5884 1 1499 . 1 1 121 121 ILE CA C 13 60.476 0.000 . 1 . . . . . . . . 5884 1 1500 . 1 1 121 121 ILE HA H 1 3.824 0.000 . 1 . . . . . . . . 5884 1 1501 . 1 1 121 121 ILE C C 13 171.284 0.000 . 1 . . . . . . . . 5884 1 1502 . 1 1 121 121 ILE CB C 13 39.961 0.000 . 1 . . . . . . . . 5884 1 1503 . 1 1 121 121 ILE HB H 1 0.729 0.000 . 1 . . . . . . . . 5884 1 1504 . 1 1 121 121 ILE CG2 C 13 15.164 0.000 . 1 . . . . . . . . 5884 1 1505 . 1 1 121 121 ILE HG21 H 1 0.292 0.000 . 1 . . . . . . . . 5884 1 1506 . 1 1 121 121 ILE HG22 H 1 0.292 0.000 . 1 . . . . . . . . 5884 1 1507 . 1 1 121 121 ILE HG23 H 1 0.292 0.000 . 1 . . . . . . . . 5884 1 1508 . 1 1 121 121 ILE CG1 C 13 29.703 0.000 . 1 . . . . . . . . 5884 1 1509 . 1 1 121 121 ILE HG12 H 1 1.663 0.000 . 1 . . . . . . . . 5884 1 1510 . 1 1 121 121 ILE HG13 H 1 0.621 0.000 . 1 . . . . . . . . 5884 1 1511 . 1 1 121 121 ILE CD1 C 13 13.380 0.000 . 1 . . . . . . . . 5884 1 1512 . 1 1 121 121 ILE HD11 H 1 -0.729 0.000 . 1 . . . . . . . . 5884 1 1513 . 1 1 121 121 ILE HD12 H 1 -0.729 0.000 . 1 . . . . . . . . 5884 1 1514 . 1 1 121 121 ILE HD13 H 1 -0.729 0.000 . 1 . . . . . . . . 5884 1 1515 . 1 1 122 122 HIS H H 1 8.372 0.000 . 1 . . . . . . . . 5884 1 1516 . 1 1 122 122 HIS N N 15 122.808 0.000 . 1 . . . . . . . . 5884 1 1517 . 1 1 122 122 HIS CA C 13 54.203 0.000 . 1 . . . . . . . . 5884 1 1518 . 1 1 122 122 HIS HA H 1 4.842 0.000 . 1 . . . . . . . . 5884 1 1519 . 1 1 122 122 HIS C C 13 174.231 0.000 . 1 . . . . . . . . 5884 1 1520 . 1 1 122 122 HIS CB C 13 33.539 0.000 . 1 . . . . . . . . 5884 1 1521 . 1 1 122 122 HIS HB2 H 1 3.134 0.000 . 1 . . . . . . . . 5884 1 1522 . 1 1 122 122 HIS HB3 H 1 2.753 0.000 . 1 . . . . . . . . 5884 1 1523 . 1 1 122 122 HIS CD2 C 13 119.749 0.000 . 1 . . . . . . . . 5884 1 1524 . 1 1 122 122 HIS HD2 H 1 7.101 0.000 . 1 . . . . . . . . 5884 1 1525 . 1 1 122 122 HIS CE1 C 13 137.008 0.000 . 1 . . . . . . . . 5884 1 1526 . 1 1 122 122 HIS HE1 H 1 8.244 0.000 . 1 . . . . . . . . 5884 1 1527 . 1 1 123 123 ILE H H 1 8.545 0.000 . 1 . . . . . . . . 5884 1 1528 . 1 1 123 123 ILE N N 15 121.019 0.000 . 1 . . . . . . . . 5884 1 1529 . 1 1 123 123 ILE CA C 13 63.287 0.000 . 1 . . . . . . . . 5884 1 1530 . 1 1 123 123 ILE HA H 1 3.444 0.000 . 1 . . . . . . . . 5884 1 1531 . 1 1 123 123 ILE C C 13 177.139 0.000 . 1 . . . . . . . . 5884 1 1532 . 1 1 123 123 ILE CB C 13 36.587 0.000 . 1 . . . . . . . . 5884 1 1533 . 1 1 123 123 ILE HB H 1 1.851 0.000 . 1 . . . . . . . . 5884 1 1534 . 1 1 123 123 ILE CG2 C 13 18.019 0.000 . 1 . . . . . . . . 5884 1 1535 . 1 1 123 123 ILE HG21 H 1 0.975 0.000 . 1 . . . . . . . . 5884 1 1536 . 1 1 123 123 ILE HG22 H 1 0.975 0.000 . 1 . . . . . . . . 5884 1 1537 . 1 1 123 123 ILE HG23 H 1 0.975 0.000 . 1 . . . . . . . . 5884 1 1538 . 1 1 123 123 ILE CG1 C 13 28.544 0.000 . 1 . . . . . . . . 5884 1 1539 . 1 1 123 123 ILE HG12 H 1 1.697 0.000 . 1 . . . . . . . . 5884 1 1540 . 1 1 123 123 ILE HG13 H 1 1.332 0.000 . 1 . . . . . . . . 5884 1 1541 . 1 1 123 123 ILE CD1 C 13 11.596 0.000 . 1 . . . . . . . . 5884 1 1542 . 1 1 123 123 ILE HD11 H 1 0.912 0.000 . 1 . . . . . . . . 5884 1 1543 . 1 1 123 123 ILE HD12 H 1 0.912 0.000 . 1 . . . . . . . . 5884 1 1544 . 1 1 123 123 ILE HD13 H 1 0.912 0.000 . 1 . . . . . . . . 5884 1 1545 . 1 1 124 124 GLY H H 1 9.133 0.000 . 1 . . . . . . . . 5884 1 1546 . 1 1 124 124 GLY N N 15 117.857 0.000 . 1 . . . . . . . . 5884 1 1547 . 1 1 124 124 GLY CA C 13 44.778 0.000 . 1 . . . . . . . . 5884 1 1548 . 1 1 124 124 GLY HA2 H 1 4.545 0.000 . 1 . . . . . . . . 5884 1 1549 . 1 1 124 124 GLY HA3 H 1 3.434 0.000 . 1 . . . . . . . . 5884 1 1550 . 1 1 124 124 GLY C C 13 173.682 0.000 . 1 . . . . . . . . 5884 1 1551 . 1 1 125 125 ASP H H 1 8.031 0.000 . 1 . . . . . . . . 5884 1 1552 . 1 1 125 125 ASP N N 15 122.764 0.000 . 1 . . . . . . . . 5884 1 1553 . 1 1 125 125 ASP CA C 13 55.303 0.000 . 1 . . . . . . . . 5884 1 1554 . 1 1 125 125 ASP HA H 1 4.508 0.000 . 1 . . . . . . . . 5884 1 1555 . 1 1 125 125 ASP C C 13 175.204 0.000 . 1 . . . . . . . . 5884 1 1556 . 1 1 125 125 ASP CB C 13 41.261 0.000 . 1 . . . . . . . . 5884 1 1557 . 1 1 125 125 ASP HB2 H 1 2.799 0.000 . 1 . . . . . . . . 5884 1 1558 . 1 1 125 125 ASP HB3 H 1 2.528 0.000 . 1 . . . . . . . . 5884 1 1559 . 1 1 126 126 VAL H H 1 8.519 0.000 . 1 . . . . . . . . 5884 1 1560 . 1 1 126 126 VAL N N 15 122.124 0.000 . 1 . . . . . . . . 5884 1 1561 . 1 1 126 126 VAL CA C 13 62.509 0.000 . 1 . . . . . . . . 5884 1 1562 . 1 1 126 126 VAL HA H 1 4.320 0.000 . 1 . . . . . . . . 5884 1 1563 . 1 1 126 126 VAL C C 13 175.108 0.000 . 1 . . . . . . . . 5884 1 1564 . 1 1 126 126 VAL CB C 13 32.034 0.000 . 1 . . . . . . . . 5884 1 1565 . 1 1 126 126 VAL HB H 1 2.030 0.000 . 1 . . . . . . . . 5884 1 1566 . 1 1 126 126 VAL CG1 C 13 21.625 0.000 . 1 . . . . . . . . 5884 1 1567 . 1 1 126 126 VAL HG11 H 1 0.970 0.000 . 1 . . . . . . . . 5884 1 1568 . 1 1 126 126 VAL HG12 H 1 0.970 0.000 . 1 . . . . . . . . 5884 1 1569 . 1 1 126 126 VAL HG13 H 1 0.970 0.000 . 1 . . . . . . . . 5884 1 1570 . 1 1 126 126 VAL CG2 C 13 20.946 0.000 . 1 . . . . . . . . 5884 1 1571 . 1 1 126 126 VAL HG21 H 1 0.758 0.000 . 1 . . . . . . . . 5884 1 1572 . 1 1 126 126 VAL HG22 H 1 0.758 0.000 . 1 . . . . . . . . 5884 1 1573 . 1 1 126 126 VAL HG23 H 1 0.758 0.000 . 1 . . . . . . . . 5884 1 1574 . 1 1 127 127 CYS H H 1 9.218 0.000 . 1 . . . . . . . . 5884 1 1575 . 1 1 127 127 CYS N N 15 127.448 0.000 . 1 . . . . . . . . 5884 1 1576 . 1 1 127 127 CYS CA C 13 58.429 0.000 . 1 . . . . . . . . 5884 1 1577 . 1 1 127 127 CYS HA H 1 4.745 0.000 . 1 . . . . . . . . 5884 1 1578 . 1 1 127 127 CYS C C 13 175.469 0.000 . 1 . . . . . . . . 5884 1 1579 . 1 1 127 127 CYS CB C 13 27.868 0.000 . 1 . . . . . . . . 5884 1 1580 . 1 1 127 127 CYS HB2 H 1 2.955 0.000 . 1 . . . . . . . . 5884 1 1581 . 1 1 127 127 CYS HB3 H 1 2.955 0.000 . 1 . . . . . . . . 5884 1 1582 . 1 1 128 128 LEU H H 1 9.249 0.000 . 1 . . . . . . . . 5884 1 1583 . 1 1 128 128 LEU N N 15 124.630 0.000 . 1 . . . . . . . . 5884 1 1584 . 1 1 128 128 LEU CA C 13 52.148 0.000 . 1 . . . . . . . . 5884 1 1585 . 1 1 128 128 LEU HA H 1 4.477 0.000 . 1 . . . . . . . . 5884 1 1586 . 1 1 128 128 LEU CB C 13 42.348 0.000 . 1 . . . . . . . . 5884 1 1587 . 1 1 128 128 LEU HB2 H 1 1.600 0.000 . 1 . . . . . . . . 5884 1 1588 . 1 1 128 128 LEU HB3 H 1 1.063 0.000 . 1 . . . . . . . . 5884 1 1589 . 1 1 128 128 LEU CG C 13 26.129 0.000 . 1 . . . . . . . . 5884 1 1590 . 1 1 128 128 LEU CD1 C 13 25.522 0.000 . 1 . . . . . . . . 5884 1 1591 . 1 1 128 128 LEU HD11 H 1 0.551 0.000 . 1 . . . . . . . . 5884 1 1592 . 1 1 128 128 LEU HD12 H 1 0.551 0.000 . 1 . . . . . . . . 5884 1 1593 . 1 1 128 128 LEU HD13 H 1 0.551 0.000 . 1 . . . . . . . . 5884 1 1594 . 1 1 128 128 LEU CD2 C 13 20.318 0.000 . 1 . . . . . . . . 5884 1 1595 . 1 1 128 128 LEU HD21 H 1 -0.032 0.000 . 1 . . . . . . . . 5884 1 1596 . 1 1 128 128 LEU HD22 H 1 -0.032 0.000 . 1 . . . . . . . . 5884 1 1597 . 1 1 128 128 LEU HD23 H 1 -0.032 0.000 . 1 . . . . . . . . 5884 1 1598 . 1 1 128 128 LEU HG H 1 1.660 0.000 . 1 . . . . . . . . 5884 1 1599 . 1 1 129 129 PRO CA C 13 60.586 0.000 . 1 . . . . . . . . 5884 1 1600 . 1 1 129 129 PRO HA H 1 4.053 0.000 . 1 . . . . . . . . 5884 1 1601 . 1 1 129 129 PRO CB C 13 28.621 0.000 . 1 . . . . . . . . 5884 1 1602 . 1 1 129 129 PRO HB2 H 1 1.491 0.000 . 1 . . . . . . . . 5884 1 1603 . 1 1 129 129 PRO HB3 H 1 -0.121 0.000 . 1 . . . . . . . . 5884 1 1604 . 1 1 129 129 PRO CG C 13 26.201 0.000 . 1 . . . . . . . . 5884 1 1605 . 1 1 129 129 PRO HG2 H 1 1.844 0.000 . 1 . . . . . . . . 5884 1 1606 . 1 1 129 129 PRO HG3 H 1 1.844 0.000 . 1 . . . . . . . . 5884 1 1607 . 1 1 129 129 PRO CD C 13 49.438 0.000 . 1 . . . . . . . . 5884 1 1608 . 1 1 129 129 PRO HD2 H 1 3.375 0.000 . 1 . . . . . . . . 5884 1 1609 . 1 1 129 129 PRO HD3 H 1 3.232 0.000 . 1 . . . . . . . . 5884 1 1610 . 1 1 130 130 PRO CA C 13 62.833 0.000 . 1 . . . . . . . . 5884 1 1611 . 1 1 130 130 PRO HA H 1 3.431 0.000 . 1 . . . . . . . . 5884 1 1612 . 1 1 130 130 PRO C C 13 178.063 0.000 . 1 . . . . . . . . 5884 1 1613 . 1 1 130 130 PRO CB C 13 30.834 0.000 . 1 . . . . . . . . 5884 1 1614 . 1 1 130 130 PRO HB2 H 1 1.492 0.000 . 1 . . . . . . . . 5884 1 1615 . 1 1 130 130 PRO HB3 H 1 1.492 0.000 . 1 . . . . . . . . 5884 1 1616 . 1 1 130 130 PRO CG C 13 27.295 0.000 . 1 . . . . . . . . 5884 1 1617 . 1 1 130 130 PRO HG2 H 1 1.782 0.000 . 1 . . . . . . . . 5884 1 1618 . 1 1 130 130 PRO HG3 H 1 1.635 0.000 . 1 . . . . . . . . 5884 1 1619 . 1 1 130 130 PRO CD C 13 49.684 0.000 . 1 . . . . . . . . 5884 1 1620 . 1 1 130 130 PRO HD2 H 1 2.870 0.000 . 1 . . . . . . . . 5884 1 1621 . 1 1 130 130 PRO HD3 H 1 2.870 0.000 . 1 . . . . . . . . 5884 1 1622 . 1 1 131 131 GLY H H 1 8.950 0.000 . 1 . . . . . . . . 5884 1 1623 . 1 1 131 131 GLY N N 15 111.644 0.000 . 1 . . . . . . . . 5884 1 1624 . 1 1 131 131 GLY CA C 13 44.766 0.000 . 1 . . . . . . . . 5884 1 1625 . 1 1 131 131 GLY HA2 H 1 3.931 0.000 . 1 . . . . . . . . 5884 1 1626 . 1 1 131 131 GLY HA3 H 1 3.548 0.000 . 1 . . . . . . . . 5884 1 1627 . 1 1 131 131 GLY C C 13 173.964 0.000 . 1 . . . . . . . . 5884 1 1628 . 1 1 132 132 HIS H H 1 7.345 0.000 . 1 . . . . . . . . 5884 1 1629 . 1 1 132 132 HIS N N 15 123.207 0.000 . 1 . . . . . . . . 5884 1 1630 . 1 1 132 132 HIS CA C 13 56.571 0.000 . 1 . . . . . . . . 5884 1 1631 . 1 1 132 132 HIS HA H 1 4.417 0.000 . 1 . . . . . . . . 5884 1 1632 . 1 1 132 132 HIS CB C 13 32.287 0.000 . 1 . . . . . . . . 5884 1 1633 . 1 1 132 132 HIS HB2 H 1 2.997 0.000 . 1 . . . . . . . . 5884 1 1634 . 1 1 132 132 HIS HB3 H 1 2.720 0.000 . 1 . . . . . . . . 5884 1 1635 . 1 1 132 132 HIS CD2 C 13 118.390 0.000 . 1 . . . . . . . . 5884 1 1636 . 1 1 132 132 HIS HD2 H 1 7.523 0.000 . 1 . . . . . . . . 5884 1 1637 . 1 1 132 132 HIS CE1 C 13 139.520 0.000 . 1 . . . . . . . . 5884 1 1638 . 1 1 132 132 HIS HE1 H 1 8.085 0.000 . 1 . . . . . . . . 5884 1 1639 . 1 1 133 133 PRO CA C 13 65.080 0.000 . 1 . . . . . . . . 5884 1 1640 . 1 1 133 133 PRO HA H 1 4.191 0.000 . 1 . . . . . . . . 5884 1 1641 . 1 1 133 133 PRO C C 13 177.654 0.000 . 1 . . . . . . . . 5884 1 1642 . 1 1 133 133 PRO CB C 13 32.183 0.000 . 1 . . . . . . . . 5884 1 1643 . 1 1 133 133 PRO HB2 H 1 2.234 0.000 . 1 . . . . . . . . 5884 1 1644 . 1 1 133 133 PRO HB3 H 1 1.781 0.000 . 1 . . . . . . . . 5884 1 1645 . 1 1 133 133 PRO CG C 13 27.563 0.000 . 1 . . . . . . . . 5884 1 1646 . 1 1 133 133 PRO HG2 H 1 1.780 0.000 . 1 . . . . . . . . 5884 1 1647 . 1 1 133 133 PRO HG3 H 1 1.674 0.000 . 1 . . . . . . . . 5884 1 1648 . 1 1 133 133 PRO CD C 13 50.040 0.000 . 1 . . . . . . . . 5884 1 1649 . 1 1 133 133 PRO HD2 H 1 3.432 0.000 . 1 . . . . . . . . 5884 1 1650 . 1 1 133 133 PRO HD3 H 1 1.983 0.000 . 1 . . . . . . . . 5884 1 1651 . 1 1 134 134 ASP H H 1 11.012 0.000 . 1 . . . . . . . . 5884 1 1652 . 1 1 134 134 ASP N N 15 119.021 0.000 . 1 . . . . . . . . 5884 1 1653 . 1 1 134 134 ASP CA C 13 54.750 0.000 . 1 . . . . . . . . 5884 1 1654 . 1 1 134 134 ASP HA H 1 4.909 0.000 . 1 . . . . . . . . 5884 1 1655 . 1 1 134 134 ASP C C 13 176.017 0.000 . 1 . . . . . . . . 5884 1 1656 . 1 1 134 134 ASP CB C 13 41.351 0.000 . 1 . . . . . . . . 5884 1 1657 . 1 1 134 134 ASP HB2 H 1 2.916 0.000 . 1 . . . . . . . . 5884 1 1658 . 1 1 134 134 ASP HB3 H 1 2.752 0.000 . 1 . . . . . . . . 5884 1 1659 . 1 1 135 135 ALA H H 1 8.168 0.000 . 1 . . . . . . . . 5884 1 1660 . 1 1 135 135 ALA N N 15 125.894 0.000 . 1 . . . . . . . . 5884 1 1661 . 1 1 135 135 ALA CA C 13 50.339 0.000 . 1 . . . . . . . . 5884 1 1662 . 1 1 135 135 ALA HA H 1 4.088 0.000 . 1 . . . . . . . . 5884 1 1663 . 1 1 135 135 ALA C C 13 176.070 0.000 . 1 . . . . . . . . 5884 1 1664 . 1 1 135 135 ALA CB C 13 18.250 0.000 . 1 . . . . . . . . 5884 1 1665 . 1 1 135 135 ALA HB1 H 1 0.878 0.000 . 1 . . . . . . . . 5884 1 1666 . 1 1 135 135 ALA HB2 H 1 0.878 0.000 . 1 . . . . . . . . 5884 1 1667 . 1 1 135 135 ALA HB3 H 1 0.878 0.000 . 1 . . . . . . . . 5884 1 1668 . 1 1 136 136 ILE H H 1 6.790 0.000 . 1 . . . . . . . . 5884 1 1669 . 1 1 136 136 ILE N N 15 118.572 0.000 . 1 . . . . . . . . 5884 1 1670 . 1 1 136 136 ILE CA C 13 61.665 0.000 . 1 . . . . . . . . 5884 1 1671 . 1 1 136 136 ILE HA H 1 3.951 0.000 . 1 . . . . . . . . 5884 1 1672 . 1 1 136 136 ILE C C 13 176.127 0.000 . 1 . . . . . . . . 5884 1 1673 . 1 1 136 136 ILE CB C 13 38.445 0.000 . 1 . . . . . . . . 5884 1 1674 . 1 1 136 136 ILE HB H 1 1.816 0.000 . 1 . . . . . . . . 5884 1 1675 . 1 1 136 136 ILE CG2 C 13 17.531 0.000 . 1 . . . . . . . . 5884 1 1676 . 1 1 136 136 ILE HG21 H 1 0.872 0.000 . 1 . . . . . . . . 5884 1 1677 . 1 1 136 136 ILE HG22 H 1 0.872 0.000 . 1 . . . . . . . . 5884 1 1678 . 1 1 136 136 ILE HG23 H 1 0.872 0.000 . 1 . . . . . . . . 5884 1 1679 . 1 1 136 136 ILE CG1 C 13 27.384 0.000 . 1 . . . . . . . . 5884 1 1680 . 1 1 136 136 ILE HG12 H 1 1.432 0.000 . 1 . . . . . . . . 5884 1 1681 . 1 1 136 136 ILE HG13 H 1 1.128 0.000 . 1 . . . . . . . . 5884 1 1682 . 1 1 136 136 ILE CD1 C 13 12.934 0.000 . 1 . . . . . . . . 5884 1 1683 . 1 1 136 136 ILE HD11 H 1 0.869 0.000 . 1 . . . . . . . . 5884 1 1684 . 1 1 136 136 ILE HD12 H 1 0.869 0.000 . 1 . . . . . . . . 5884 1 1685 . 1 1 136 136 ILE HD13 H 1 0.869 0.000 . 1 . . . . . . . . 5884 1 1686 . 1 1 137 137 ASN H H 1 8.420 0.000 . 1 . . . . . . . . 5884 1 1687 . 1 1 137 137 ASN N N 15 120.919 0.000 . 1 . . . . . . . . 5884 1 1688 . 1 1 137 137 ASN CA C 13 53.341 0.000 . 1 . . . . . . . . 5884 1 1689 . 1 1 137 137 ASN HA H 1 4.725 0.000 . 1 . . . . . . . . 5884 1 1690 . 1 1 137 137 ASN C C 13 173.438 0.000 . 1 . . . . . . . . 5884 1 1691 . 1 1 137 137 ASN CB C 13 38.423 0.000 . 1 . . . . . . . . 5884 1 1692 . 1 1 137 137 ASN HB2 H 1 3.078 0.000 . 1 . . . . . . . . 5884 1 1693 . 1 1 137 137 ASN HB3 H 1 2.871 0.000 . 1 . . . . . . . . 5884 1 1694 . 1 1 137 137 ASN ND2 N 15 112.975 0.000 . 1 . . . . . . . . 5884 1 1695 . 1 1 137 137 ASN HD21 H 1 7.594 0.000 . 1 . . . . . . . . 5884 1 1696 . 1 1 137 137 ASN HD22 H 1 6.932 0.000 . 1 . . . . . . . . 5884 1 1697 . 1 1 138 138 PHE H H 1 7.397 0.000 . 1 . . . . . . . . 5884 1 1698 . 1 1 138 138 PHE N N 15 125.003 0.000 . 1 . . . . . . . . 5884 1 1699 . 1 1 138 138 PHE CA C 13 59.271 0.000 . 1 . . . . . . . . 5884 1 1700 . 1 1 138 138 PHE HA H 1 4.537 0.000 . 1 . . . . . . . . 5884 1 1701 . 1 1 138 138 PHE CB C 13 40.613 0.000 . 1 . . . . . . . . 5884 1 1702 . 1 1 138 138 PHE HB2 H 1 2.827 0.000 . 1 . . . . . . . . 5884 1 1703 . 1 1 138 138 PHE HB3 H 1 2.645 0.000 . 1 . . . . . . . . 5884 1 1704 . 1 1 138 138 PHE CD1 C 13 131.658 0.000 . 1 . . . . . . . . 5884 1 1705 . 1 1 138 138 PHE HD1 H 1 7.020 0.000 . 1 . . . . . . . . 5884 1 1706 . 1 1 138 138 PHE CD2 C 13 131.658 0.000 . 1 . . . . . . . . 5884 1 1707 . 1 1 138 138 PHE HD2 H 1 7.020 0.000 . 1 . . . . . . . . 5884 1 1708 . 1 1 138 138 PHE CE1 C 13 131.436 0.000 . 1 . . . . . . . . 5884 1 1709 . 1 1 138 138 PHE HE1 H 1 7.301 0.000 . 1 . . . . . . . . 5884 1 1710 . 1 1 138 138 PHE CE2 C 13 131.436 0.000 . 1 . . . . . . . . 5884 1 1711 . 1 1 138 138 PHE HE2 H 1 7.301 0.000 . 1 . . . . . . . . 5884 1 1712 . 1 1 138 138 PHE CZ C 13 129.107 0.000 . 1 . . . . . . . . 5884 1 1713 . 1 1 138 138 PHE HZ H 1 7.197 0.000 . 1 . . . . . . . . 5884 1 stop_ save_