data_17485 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17485 _Entry.Title ; Solution structure of Pf1 SID1-mSin3A PAH2 Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-23 _Entry.Accession_date 2011-02-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ganesan 'Senthil Kumar' . . . 17485 2 Tao Xie . . . 17485 3 Yongbo Zhang . . . 17485 4 Ishwar Radhakrishnan . . . 17485 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17485 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Amphipathic Helix motif' . 17485 'Protein-Peptide Complex' . 17485 Transcription . 17485 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17485 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 545 17485 '15N chemical shifts' 136 17485 '1H chemical shifts' 866 17485 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 2 . . 2011-05-13 3011-02-23 update BMRB 'update entry citation' 17485 1 . . 2011-03-30 3011-02-23 original author 'original release' 17485 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L9S 'BMRB Entry Tracking System' 17485 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17485 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21440557 _Citation.Full_citation . _Citation.Title 'Solution Structure of the mSin3A PAH2-Pf1 SID1 Complex: A Mad1/Mxd1-Like Interaction Disrupted by MRG15 in the Rpd3S/Sin3S Complex.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 408 _Citation.Journal_issue 5 _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 987 _Citation.Page_last 1000 _Citation.Year 2011 _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 'Ganesan Senthil' Kumar . . . 17485 1 2 Tao Xie . . . 17485 1 3 Yongbo Zhang . . . 17485 1 4 Ishwar Radhakrishnan . . . 17485 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17485 _Assembly.ID 1 _Assembly.Name 'mSin3A PAH2-Pf1 SID1 Complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 17485 1 2 entity_2 2 $entity_2 B . yes native no no . . . 17485 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 17485 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNADYVQPQLRRPFELLIAA AMERNPTQFQLPNELTCTTA LPGSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 45 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4993.651 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18000 . Pf1 . . . . . 93.33 42 100.00 100.00 7.25e-21 . . . . 17485 1 2 no PDB 2L9S . "Solution Structure Of Pf1 Sid1-Msin3a Pah2 Complex" . . . . . 100.00 45 100.00 100.00 5.22e-23 . . . . 17485 1 3 no PDB 2LKM . "Structural Basis For Molecular Interactions Involving Mrg Domains: Implications In Chromatin Biology" . . . . . 93.33 42 100.00 100.00 7.25e-21 . . . . 17485 1 4 no DBJ BAD18713 . "FLJ00295 protein [Homo sapiens]" . . . . . 93.33 770 100.00 100.00 9.10e-19 . . . . 17485 1 5 no DBJ BAE00370 . "unnamed protein product [Macaca fascicularis]" . . . . . 53.33 529 100.00 100.00 5.62e-06 . . . . 17485 1 6 no DBJ BAE24837 . "unnamed protein product [Mus musculus]" . . . . . 93.33 704 100.00 100.00 8.29e-19 . . . . 17485 1 7 no DBJ BAE33212 . "unnamed protein product [Mus musculus]" . . . . . 93.33 1003 100.00 100.00 1.13e-18 . . . . 17485 1 8 no DBJ BAE41602 . "unnamed protein product [Mus musculus]" . . . . . 93.33 827 100.00 100.00 1.04e-18 . . . . 17485 1 9 no GB AAH01657 . "PHF12 protein, partial [Homo sapiens]" . . . . . 93.33 487 100.00 100.00 3.85e-19 . . . . 17485 1 10 no GB AAH43080 . "PHD finger protein 12 [Mus musculus]" . . . . . 93.33 999 100.00 100.00 1.13e-18 . . . . 17485 1 11 no GB AAI10883 . "PHF12 protein [Homo sapiens]" . . . . . 93.33 849 100.00 100.00 1.01e-18 . . . . 17485 1 12 no GB AAI21044 . "PHD finger protein 12 [Homo sapiens]" . . . . . 93.33 704 100.00 100.00 8.13e-19 . . . . 17485 1 13 no GB AAI21045 . "PHD finger protein 12 [Homo sapiens]" . . . . . 93.33 704 100.00 100.00 8.13e-19 . . . . 17485 1 14 no REF NP_001013135 . "PHD finger protein 12 [Rattus norvegicus]" . . . . . 93.33 1004 100.00 100.00 1.18e-18 . . . . 17485 1 15 no REF NP_001028733 . "PHD finger protein 12 isoform 1 [Homo sapiens]" . . . . . 93.33 1004 100.00 100.00 1.15e-18 . . . . 17485 1 16 no REF NP_001179060 . "PHD finger protein 12 [Bos taurus]" . . . . . 93.33 1004 100.00 100.00 1.31e-18 . . . . 17485 1 17 no REF NP_001253214 . "PHD finger protein 12 [Macaca mulatta]" . . . . . 93.33 1004 100.00 100.00 1.25e-18 . . . . 17485 1 18 no REF NP_001277060 . "PHD finger protein 12 isoform 3 [Homo sapiens]" . . . . . 93.33 849 100.00 100.00 1.01e-18 . . . . 17485 1 19 no SP Q5SPL2 . "RecName: Full=PHD finger protein 12; AltName: Full=PHD factor 1; Short=Pf1" . . . . . 93.33 1003 100.00 100.00 1.13e-18 . . . . 17485 1 20 no SP Q96QT6 . "RecName: Full=PHD finger protein 12; AltName: Full=PHD factor 1; Short=Pf1" . . . . . 93.33 1004 100.00 100.00 1.15e-18 . . . . 17485 1 21 no TPG DAA18992 . "TPA: PHD finger protein 12 [Bos taurus]" . . . . . 93.33 1004 100.00 100.00 1.31e-18 . . . . 17485 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 1 197 SER . 17485 1 2 198 ASN . 17485 1 3 199 ALA . 17485 1 4 200 ASP . 17485 1 5 201 TYR . 17485 1 6 202 VAL . 17485 1 7 203 GLN . 17485 1 8 204 PRO . 17485 1 9 205 GLN . 17485 1 10 206 LEU . 17485 1 11 207 ARG . 17485 1 12 208 ARG . 17485 1 13 209 PRO . 17485 1 14 210 PHE . 17485 1 15 211 GLU . 17485 1 16 212 LEU . 17485 1 17 213 LEU . 17485 1 18 214 ILE . 17485 1 19 215 ALA . 17485 1 20 216 ALA . 17485 1 21 217 ALA . 17485 1 22 218 MET . 17485 1 23 219 GLU . 17485 1 24 220 ARG . 17485 1 25 221 ASN . 17485 1 26 222 PRO . 17485 1 27 223 THR . 17485 1 28 224 GLN . 17485 1 29 225 PHE . 17485 1 30 226 GLN . 17485 1 31 227 LEU . 17485 1 32 228 PRO . 17485 1 33 229 ASN . 17485 1 34 230 GLU . 17485 1 35 231 LEU . 17485 1 36 232 THR . 17485 1 37 233 CYS . 17485 1 38 234 THR . 17485 1 39 235 THR . 17485 1 40 236 ALA . 17485 1 41 237 LEU . 17485 1 42 238 PRO . 17485 1 43 239 GLY . 17485 1 44 240 SER . 17485 1 45 241 SER . 17485 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 . SER 1 1 17485 1 . ASN 2 2 17485 1 . ALA 3 3 17485 1 . ASP 4 4 17485 1 . TYR 5 5 17485 1 . VAL 6 6 17485 1 . GLN 7 7 17485 1 . PRO 8 8 17485 1 . GLN 9 9 17485 1 . LEU 10 10 17485 1 . ARG 11 11 17485 1 . ARG 12 12 17485 1 . PRO 13 13 17485 1 . PHE 14 14 17485 1 . GLU 15 15 17485 1 . LEU 16 16 17485 1 . LEU 17 17 17485 1 . ILE 18 18 17485 1 . ALA 19 19 17485 1 . ALA 20 20 17485 1 . ALA 21 21 17485 1 . MET 22 22 17485 1 . GLU 23 23 17485 1 . ARG 24 24 17485 1 . ASN 25 25 17485 1 . PRO 26 26 17485 1 . THR 27 27 17485 1 . GLN 28 28 17485 1 . PHE 29 29 17485 1 . GLN 30 30 17485 1 . LEU 31 31 17485 1 . PRO 32 32 17485 1 . ASN 33 33 17485 1 . GLU 34 34 17485 1 . LEU 35 35 17485 1 . THR 36 36 17485 1 . CYS 37 37 17485 1 . THR 38 38 17485 1 . THR 39 39 17485 1 . ALA 40 40 17485 1 . LEU 41 41 17485 1 . PRO 42 42 17485 1 . GLY 43 43 17485 1 . SER 44 44 17485 1 . SER 45 45 17485 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 17485 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNASLQNNQPVEFNHAINYV NKIKNRFQGQPDIYKAFLEI LHTYQKEQRNAKEAGGNYTP ALTEQEVYAQVARLFKNQED LLSEFGQFLPDANS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10816.996 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4635 . SIN3A . . . . . 94.68 89 100.00 100.00 4.00e-57 . . . . 17485 2 2 no PDB 1G1E . "Nmr Structure Of The Human Mad1 Transrepression Domain Sid In Complex With Mammalian Sin3a Pah2 Domain" . . . . . 94.68 89 100.00 100.00 4.00e-57 . . . . 17485 2 3 no PDB 1S5Q . "Solution Structure Of Mad1 Sid-Msin3a Pah2 Complex" . . . . . 94.68 89 100.00 100.00 4.00e-57 . . . . 17485 2 4 no PDB 1S5R . "Solution Structure Of Hbp1 Sid-Msin3a Pah2 Complex" . . . . . 94.68 89 100.00 100.00 4.00e-57 . . . . 17485 2 5 no PDB 2L9S . "Solution Structure Of Pf1 Sid1-Msin3a Pah2 Complex" . . . . . 100.00 94 100.00 100.00 1.15e-60 . . . . 17485 2 6 no GB AAK95854 . "transcriptional co-repressor Sin3A [Homo sapiens]" . . . . . 96.81 621 100.00 100.00 4.68e-55 . . . . 17485 2 7 no REF XP_004660420 . "PREDICTED: paired amphipathic helix protein Sin3a [Jaculus jaculus]" . . . . . 96.81 1240 100.00 100.00 1.54e-53 . . . . 17485 2 8 no REF XP_005994973 . "PREDICTED: paired amphipathic helix protein Sin3a [Latimeria chalumnae]" . . . . . 95.74 1097 100.00 100.00 4.97e-53 . . . . 17485 2 9 no REF XP_007239639 . "PREDICTED: paired amphipathic helix protein Sin3a-like [Astyanax mexicanus]" . . . . . 53.19 851 98.00 100.00 9.06e-23 . . . . 17485 2 10 no REF XP_009197516 . "PREDICTED: paired amphipathic helix protein Sin3a [Papio anubis]" . . . . . 96.81 1123 100.00 100.00 1.40e-53 . . . . 17485 2 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 1 292 SER . 17485 2 2 293 ASN . 17485 2 3 294 ALA . 17485 2 4 295 SER . 17485 2 5 296 LEU . 17485 2 6 297 GLN . 17485 2 7 298 ASN . 17485 2 8 299 ASN . 17485 2 9 300 GLN . 17485 2 10 301 PRO . 17485 2 11 302 VAL . 17485 2 12 303 GLU . 17485 2 13 304 PHE . 17485 2 14 305 ASN . 17485 2 15 306 HIS . 17485 2 16 307 ALA . 17485 2 17 308 ILE . 17485 2 18 309 ASN . 17485 2 19 310 TYR . 17485 2 20 311 VAL . 17485 2 21 312 ASN . 17485 2 22 313 LYS . 17485 2 23 314 ILE . 17485 2 24 315 LYS . 17485 2 25 316 ASN . 17485 2 26 317 ARG . 17485 2 27 318 PHE . 17485 2 28 319 GLN . 17485 2 29 320 GLY . 17485 2 30 321 GLN . 17485 2 31 322 PRO . 17485 2 32 323 ASP . 17485 2 33 324 ILE . 17485 2 34 325 TYR . 17485 2 35 326 LYS . 17485 2 36 327 ALA . 17485 2 37 328 PHE . 17485 2 38 329 LEU . 17485 2 39 330 GLU . 17485 2 40 331 ILE . 17485 2 41 332 LEU . 17485 2 42 333 HIS . 17485 2 43 334 THR . 17485 2 44 335 TYR . 17485 2 45 336 GLN . 17485 2 46 337 LYS . 17485 2 47 338 GLU . 17485 2 48 339 GLN . 17485 2 49 340 ARG . 17485 2 50 341 ASN . 17485 2 51 342 ALA . 17485 2 52 343 LYS . 17485 2 53 344 GLU . 17485 2 54 345 ALA . 17485 2 55 346 GLY . 17485 2 56 347 GLY . 17485 2 57 348 ASN . 17485 2 58 349 TYR . 17485 2 59 350 THR . 17485 2 60 351 PRO . 17485 2 61 352 ALA . 17485 2 62 353 LEU . 17485 2 63 354 THR . 17485 2 64 355 GLU . 17485 2 65 356 GLN . 17485 2 66 357 GLU . 17485 2 67 358 VAL . 17485 2 68 359 TYR . 17485 2 69 360 ALA . 17485 2 70 361 GLN . 17485 2 71 362 VAL . 17485 2 72 363 ALA . 17485 2 73 364 ARG . 17485 2 74 365 LEU . 17485 2 75 366 PHE . 17485 2 76 367 LYS . 17485 2 77 368 ASN . 17485 2 78 369 GLN . 17485 2 79 370 GLU . 17485 2 80 371 ASP . 17485 2 81 372 LEU . 17485 2 82 373 LEU . 17485 2 83 374 SER . 17485 2 84 375 GLU . 17485 2 85 376 PHE . 17485 2 86 377 GLY . 17485 2 87 378 GLN . 17485 2 88 379 PHE . 17485 2 89 380 LEU . 17485 2 90 381 PRO . 17485 2 91 382 ASP . 17485 2 92 383 ALA . 17485 2 93 384 ASN . 17485 2 94 385 SER . 17485 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 17485 2 . ASN 2 2 17485 2 . ALA 3 3 17485 2 . SER 4 4 17485 2 . LEU 5 5 17485 2 . GLN 6 6 17485 2 . ASN 7 7 17485 2 . ASN 8 8 17485 2 . GLN 9 9 17485 2 . PRO 10 10 17485 2 . VAL 11 11 17485 2 . GLU 12 12 17485 2 . PHE 13 13 17485 2 . ASN 14 14 17485 2 . HIS 15 15 17485 2 . ALA 16 16 17485 2 . ILE 17 17 17485 2 . ASN 18 18 17485 2 . TYR 19 19 17485 2 . VAL 20 20 17485 2 . ASN 21 21 17485 2 . LYS 22 22 17485 2 . ILE 23 23 17485 2 . LYS 24 24 17485 2 . ASN 25 25 17485 2 . ARG 26 26 17485 2 . PHE 27 27 17485 2 . GLN 28 28 17485 2 . GLY 29 29 17485 2 . GLN 30 30 17485 2 . PRO 31 31 17485 2 . ASP 32 32 17485 2 . ILE 33 33 17485 2 . TYR 34 34 17485 2 . LYS 35 35 17485 2 . ALA 36 36 17485 2 . PHE 37 37 17485 2 . LEU 38 38 17485 2 . GLU 39 39 17485 2 . ILE 40 40 17485 2 . LEU 41 41 17485 2 . HIS 42 42 17485 2 . THR 43 43 17485 2 . TYR 44 44 17485 2 . GLN 45 45 17485 2 . LYS 46 46 17485 2 . GLU 47 47 17485 2 . GLN 48 48 17485 2 . ARG 49 49 17485 2 . ASN 50 50 17485 2 . ALA 51 51 17485 2 . LYS 52 52 17485 2 . GLU 53 53 17485 2 . ALA 54 54 17485 2 . GLY 55 55 17485 2 . GLY 56 56 17485 2 . ASN 57 57 17485 2 . TYR 58 58 17485 2 . THR 59 59 17485 2 . PRO 60 60 17485 2 . ALA 61 61 17485 2 . LEU 62 62 17485 2 . THR 63 63 17485 2 . GLU 64 64 17485 2 . GLN 65 65 17485 2 . GLU 66 66 17485 2 . VAL 67 67 17485 2 . TYR 68 68 17485 2 . ALA 69 69 17485 2 . GLN 70 70 17485 2 . VAL 71 71 17485 2 . ALA 72 72 17485 2 . ARG 73 73 17485 2 . LEU 74 74 17485 2 . PHE 75 75 17485 2 . LYS 76 76 17485 2 . ASN 77 77 17485 2 . GLN 78 78 17485 2 . GLU 79 79 17485 2 . ASP 80 80 17485 2 . LEU 81 81 17485 2 . LEU 82 82 17485 2 . SER 83 83 17485 2 . GLU 84 84 17485 2 . PHE 85 85 17485 2 . GLY 86 86 17485 2 . GLN 87 87 17485 2 . PHE 88 88 17485 2 . LEU 89 89 17485 2 . PRO 90 90 17485 2 . ASP 91 91 17485 2 . ALA 92 92 17485 2 . ASN 93 93 17485 2 . SER 94 94 17485 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17485 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17485 1 2 2 $entity_2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17485 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 17485 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pMCSG7 . . . . . . 17485 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pMCSG21 . . . . . . 17485 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17485 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . . 0.75 1.7 mM . . . . 17485 1 2 entity_2 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . . 0.75 1.7 mM . . . . 17485 1 3 H2O '[U-100% 13C; U-100% 15N]' . . . . . . 90 . . % . . . . 17485 1 4 D2O '[U-100% 13C; U-100% 15N]' . . . . . . 10 . . % . . . . 17485 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17485 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 17485 1 pH 6.00 . pH 17485 1 pressure 1 . atm 17485 1 temperature 298 . K 17485 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17485 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17485 1 'Linge, O'Donoghue and Nilges' . . 17485 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17485 1 'structure solution' 17485 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17485 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17485 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 600 . . . 17485 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 17485 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17485 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17485 1 3 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17485 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17485 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17485 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17485 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17485 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17485 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-13C NOESY aliphatic' . . . 17485 1 2 '3D 1H-15N NOESY' . . . 17485 1 3 '3D HCCH-COSY' . . . 17485 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 2 2 ASN HA H 1 4.63 0.03 . 1 1 . . B 293 ASN HA . 17485 1 2 . 2 2 2 2 ASN HB2 H 1 2.73 0.03 . 2 1 . . B 293 ASN HB2 . 17485 1 3 . 2 2 2 2 ASN HB3 H 1 2.80 0.03 . 2 1 . . B 293 ASN HB3 . 17485 1 4 . 2 2 2 2 ASN C C 13 175.05 0.20 . 1 1 . . B 293 ASN C . 17485 1 5 . 2 2 2 2 ASN CA C 13 53.74 0.20 . 1 1 . . B 293 ASN CA . 17485 1 6 . 2 2 2 2 ASN CB C 13 38.80 0.20 . 1 1 . . B 293 ASN CB . 17485 1 7 . 2 2 3 3 ALA H H 1 8.41 0.03 . 1 1 . . B 294 ALA H . 17485 1 8 . 2 2 3 3 ALA HA H 1 4.26 0.03 . 1 1 . . B 294 ALA HA . 17485 1 9 . 2 2 3 3 ALA HB1 H 1 1.38 0.03 . 1 1 . . B 294 ALA HB1 . 17485 1 10 . 2 2 3 3 ALA HB2 H 1 1.38 0.03 . 1 1 . . B 294 ALA HB2 . 17485 1 11 . 2 2 3 3 ALA HB3 H 1 1.38 0.03 . 1 1 . . B 294 ALA HB3 . 17485 1 12 . 2 2 3 3 ALA C C 13 177.97 0.20 . 1 1 . . B 294 ALA C . 17485 1 13 . 2 2 3 3 ALA CA C 13 53.29 0.20 . 1 1 . . B 294 ALA CA . 17485 1 14 . 2 2 3 3 ALA CB C 13 19.36 0.20 . 1 1 . . B 294 ALA CB . 17485 1 15 . 2 2 3 3 ALA N N 15 124.89 0.30 . 1 1 . . B 294 ALA N . 17485 1 16 . 2 2 4 4 SER H H 1 8.24 0.03 . 1 1 . . B 295 SER H . 17485 1 17 . 2 2 4 4 SER HA H 1 4.37 0.03 . 1 1 . . B 295 SER HA . 17485 1 18 . 2 2 4 4 SER HB3 H 1 3.88 0.03 . 2 1 . . B 295 SER HB3 . 17485 1 19 . 2 2 4 4 SER C C 13 174.92 0.20 . 1 1 . . B 295 SER C . 17485 1 20 . 2 2 4 4 SER CA C 13 59.03 0.20 . 1 1 . . B 295 SER CA . 17485 1 21 . 2 2 4 4 SER CB C 13 63.65 0.20 . 1 1 . . B 295 SER CB . 17485 1 22 . 2 2 4 4 SER N N 15 114.71 0.30 . 1 1 . . B 295 SER N . 17485 1 23 . 2 2 5 5 LEU H H 1 8.07 0.03 . 1 1 . . B 296 LEU H . 17485 1 24 . 2 2 5 5 LEU HA H 1 4.27 0.03 . 1 1 . . B 296 LEU HA . 17485 1 25 . 2 2 5 5 LEU HB2 H 1 1.48 0.03 . 2 1 . . B 296 LEU HB2 . 17485 1 26 . 2 2 5 5 LEU HB3 H 1 1.60 0.03 . 2 1 . . B 296 LEU HB3 . 17485 1 27 . 2 2 5 5 LEU HG H 1 1.60 0.03 . 1 1 . . B 296 LEU HG . 17485 1 28 . 2 2 5 5 LEU HD11 H 1 0.87 0.03 . 2 1 . . B 296 LEU HD11 . 17485 1 29 . 2 2 5 5 LEU HD12 H 1 0.87 0.03 . 2 1 . . B 296 LEU HD12 . 17485 1 30 . 2 2 5 5 LEU HD13 H 1 0.87 0.03 . 2 1 . . B 296 LEU HD13 . 17485 1 31 . 2 2 5 5 LEU HD21 H 1 0.83 0.03 . 2 1 . . B 296 LEU HD21 . 17485 1 32 . 2 2 5 5 LEU HD22 H 1 0.83 0.03 . 2 1 . . B 296 LEU HD22 . 17485 1 33 . 2 2 5 5 LEU HD23 H 1 0.83 0.03 . 2 1 . . B 296 LEU HD23 . 17485 1 34 . 2 2 5 5 LEU C C 13 177.56 0.20 . 1 1 . . B 296 LEU C . 17485 1 35 . 2 2 5 5 LEU CA C 13 55.96 0.20 . 1 1 . . B 296 LEU CA . 17485 1 36 . 2 2 5 5 LEU CB C 13 42.27 0.20 . 1 1 . . B 296 LEU CB . 17485 1 37 . 2 2 5 5 LEU CG C 13 27.20 0.20 . 1 1 . . B 296 LEU CG . 17485 1 38 . 2 2 5 5 LEU CD1 C 13 25.25 0.20 . 2 1 . . B 296 LEU CD1 . 17485 1 39 . 2 2 5 5 LEU CD2 C 13 23.64 0.20 . 2 1 . . B 296 LEU CD2 . 17485 1 40 . 2 2 5 5 LEU N N 15 123.52 0.30 . 1 1 . . B 296 LEU N . 17485 1 41 . 2 2 6 6 GLN H H 1 8.15 0.03 . 1 1 . . B 297 GLN H . 17485 1 42 . 2 2 6 6 GLN HA H 1 4.12 0.03 . 1 1 . . B 297 GLN HA . 17485 1 43 . 2 2 6 6 GLN HB2 H 1 1.83 0.03 . 2 1 . . B 297 GLN HB2 . 17485 1 44 . 2 2 6 6 GLN HB3 H 1 1.99 0.03 . 2 1 . . B 297 GLN HB3 . 17485 1 45 . 2 2 6 6 GLN HG3 H 1 2.27 0.03 . 2 1 . . B 297 GLN HG3 . 17485 1 46 . 2 2 6 6 GLN C C 13 175.82 0.20 . 1 1 . . B 297 GLN C . 17485 1 47 . 2 2 6 6 GLN CA C 13 56.56 0.20 . 1 1 . . B 297 GLN CA . 17485 1 48 . 2 2 6 6 GLN CB C 13 29.28 0.20 . 1 1 . . B 297 GLN CB . 17485 1 49 . 2 2 6 6 GLN CG C 13 33.94 0.20 . 1 1 . . B 297 GLN CG . 17485 1 50 . 2 2 6 6 GLN N N 15 119.64 0.30 . 1 1 . . B 297 GLN N . 17485 1 51 . 2 2 7 7 ASN H H 1 8.23 0.03 . 1 1 . . B 298 ASN H . 17485 1 52 . 2 2 7 7 ASN HA H 1 4.75 0.03 . 1 1 . . B 298 ASN HA . 17485 1 53 . 2 2 7 7 ASN HB2 H 1 2.78 0.03 . 2 1 . . B 298 ASN HB2 . 17485 1 54 . 2 2 7 7 ASN HB3 H 1 2.85 0.03 . 2 1 . . B 298 ASN HB3 . 17485 1 55 . 2 2 7 7 ASN C C 13 175.12 0.20 . 1 1 . . B 298 ASN C . 17485 1 56 . 2 2 7 7 ASN CA C 13 53.71 0.20 . 1 1 . . B 298 ASN CA . 17485 1 57 . 2 2 7 7 ASN CB C 13 38.99 0.20 . 1 1 . . B 298 ASN CB . 17485 1 58 . 2 2 7 7 ASN N N 15 118.46 0.30 . 1 1 . . B 298 ASN N . 17485 1 59 . 2 2 8 8 ASN H H 1 8.31 0.03 . 1 1 . . B 299 ASN H . 17485 1 60 . 2 2 8 8 ASN HA H 1 4.75 0.03 . 1 1 . . B 299 ASN HA . 17485 1 61 . 2 2 8 8 ASN HB2 H 1 2.79 0.03 . 2 1 . . B 299 ASN HB2 . 17485 1 62 . 2 2 8 8 ASN HB3 H 1 2.85 0.03 . 2 1 . . B 299 ASN HB3 . 17485 1 63 . 2 2 8 8 ASN C C 13 175.01 0.20 . 1 1 . . B 299 ASN C . 17485 1 64 . 2 2 8 8 ASN CA C 13 53.61 0.20 . 1 1 . . B 299 ASN CA . 17485 1 65 . 2 2 8 8 ASN CB C 13 39.13 0.20 . 1 1 . . B 299 ASN CB . 17485 1 66 . 2 2 8 8 ASN N N 15 118.28 0.30 . 1 1 . . B 299 ASN N . 17485 1 67 . 2 2 9 9 GLN H H 1 8.19 0.03 . 1 1 . . B 300 GLN H . 17485 1 68 . 2 2 9 9 GLN HA H 1 4.67 0.03 . 1 1 . . B 300 GLN HA . 17485 1 69 . 2 2 9 9 GLN HB2 H 1 1.97 0.03 . 2 1 . . B 300 GLN HB2 . 17485 1 70 . 2 2 9 9 GLN HB3 H 1 2.20 0.03 . 2 1 . . B 300 GLN HB3 . 17485 1 71 . 2 2 9 9 GLN HG2 H 1 2.25 0.03 . 2 1 . . B 300 GLN HG2 . 17485 1 72 . 2 2 9 9 GLN HG3 H 1 2.37 0.03 . 2 1 . . B 300 GLN HG3 . 17485 1 73 . 2 2 9 9 GLN CA C 13 54.66 0.20 . 1 1 . . B 300 GLN CA . 17485 1 74 . 2 2 9 9 GLN CB C 13 29.70 0.20 . 1 1 . . B 300 GLN CB . 17485 1 75 . 2 2 9 9 GLN CG C 13 34.41 0.20 . 1 1 . . B 300 GLN CG . 17485 1 76 . 2 2 9 9 GLN N N 15 120.15 0.30 . 1 1 . . B 300 GLN N . 17485 1 77 . 2 2 10 10 PRO HA H 1 4.49 0.03 . 1 1 . . B 301 PRO HA . 17485 1 78 . 2 2 10 10 PRO HB2 H 1 2.00 0.03 . 2 1 . . B 301 PRO HB2 . 17485 1 79 . 2 2 10 10 PRO HB3 H 1 2.39 0.03 . 2 1 . . B 301 PRO HB3 . 17485 1 80 . 2 2 10 10 PRO HG3 H 1 2.06 0.03 . 2 1 . . B 301 PRO HG3 . 17485 1 81 . 2 2 10 10 PRO HD2 H 1 3.66 0.03 . 2 1 . . B 301 PRO HD2 . 17485 1 82 . 2 2 10 10 PRO HD3 H 1 3.68 0.03 . 2 1 . . B 301 PRO HD3 . 17485 1 83 . 2 2 10 10 PRO C C 13 178.17 0.20 . 1 1 . . B 301 PRO C . 17485 1 84 . 2 2 10 10 PRO CA C 13 64.31 0.20 . 1 1 . . B 301 PRO CA . 17485 1 85 . 2 2 10 10 PRO CB C 13 32.06 0.20 . 1 1 . . B 301 PRO CB . 17485 1 86 . 2 2 10 10 PRO CG C 13 27.92 0.20 . 1 1 . . B 301 PRO CG . 17485 1 87 . 2 2 10 10 PRO CD C 13 50.72 0.20 . 1 1 . . B 301 PRO CD . 17485 1 88 . 2 2 11 11 VAL H H 1 8.23 0.03 . 1 1 . . B 302 VAL H . 17485 1 89 . 2 2 11 11 VAL HA H 1 3.89 0.03 . 1 1 . . B 302 VAL HA . 17485 1 90 . 2 2 11 11 VAL HB H 1 2.07 0.03 . 1 1 . . B 302 VAL HB . 17485 1 91 . 2 2 11 11 VAL HG11 H 1 0.99 0.03 . 2 1 . . B 302 VAL HG11 . 17485 1 92 . 2 2 11 11 VAL HG12 H 1 0.99 0.03 . 2 1 . . B 302 VAL HG12 . 17485 1 93 . 2 2 11 11 VAL HG13 H 1 0.99 0.03 . 2 1 . . B 302 VAL HG13 . 17485 1 94 . 2 2 11 11 VAL HG21 H 1 0.92 0.03 . 2 1 . . B 302 VAL HG21 . 17485 1 95 . 2 2 11 11 VAL HG22 H 1 0.92 0.03 . 2 1 . . B 302 VAL HG22 . 17485 1 96 . 2 2 11 11 VAL HG23 H 1 0.92 0.03 . 2 1 . . B 302 VAL HG23 . 17485 1 97 . 2 2 11 11 VAL C C 13 177.73 0.20 . 1 1 . . B 302 VAL C . 17485 1 98 . 2 2 11 11 VAL CA C 13 65.25 0.20 . 1 1 . . B 302 VAL CA . 17485 1 99 . 2 2 11 11 VAL CB C 13 32.17 0.20 . 1 1 . . B 302 VAL CB . 17485 1 100 . 2 2 11 11 VAL CG1 C 13 21.95 0.20 . 2 1 . . B 302 VAL CG1 . 17485 1 101 . 2 2 11 11 VAL CG2 C 13 21.60 0.20 . 2 1 . . B 302 VAL CG2 . 17485 1 102 . 2 2 11 11 VAL N N 15 120.96 0.30 . 1 1 . . B 302 VAL N . 17485 1 103 . 2 2 12 12 GLU H H 1 8.98 0.03 . 1 1 . . B 303 GLU H . 17485 1 104 . 2 2 12 12 GLU HA H 1 4.42 0.03 . 1 1 . . B 303 GLU HA . 17485 1 105 . 2 2 12 12 GLU HB2 H 1 2.07 0.03 . 2 1 . . B 303 GLU HB2 . 17485 1 106 . 2 2 12 12 GLU HB3 H 1 2.16 0.03 . 2 1 . . B 303 GLU HB3 . 17485 1 107 . 2 2 12 12 GLU HG3 H 1 2.38 0.03 . 2 1 . . B 303 GLU HG3 . 17485 1 108 . 2 2 12 12 GLU C C 13 178.55 0.20 . 1 1 . . B 303 GLU C . 17485 1 109 . 2 2 12 12 GLU CA C 13 58.37 0.20 . 1 1 . . B 303 GLU CA . 17485 1 110 . 2 2 12 12 GLU CB C 13 30.35 0.20 . 1 1 . . B 303 GLU CB . 17485 1 111 . 2 2 12 12 GLU CG C 13 37.01 0.20 . 1 1 . . B 303 GLU CG . 17485 1 112 . 2 2 12 12 GLU N N 15 122.16 0.30 . 1 1 . . B 303 GLU N . 17485 1 113 . 2 2 13 13 PHE H H 1 8.78 0.03 . 1 1 . . B 304 PHE H . 17485 1 114 . 2 2 13 13 PHE HA H 1 4.35 0.03 . 1 1 . . B 304 PHE HA . 17485 1 115 . 2 2 13 13 PHE HB2 H 1 3.15 0.03 . 2 1 . . B 304 PHE HB2 . 17485 1 116 . 2 2 13 13 PHE HB3 H 1 3.20 0.03 . 2 1 . . B 304 PHE HB3 . 17485 1 117 . 2 2 13 13 PHE HD1 H 1 7.19 0.03 . 3 1 . . B 304 PHE HD1 . 17485 1 118 . 2 2 13 13 PHE HE1 H 1 7.24 0.03 . 3 1 . . B 304 PHE HE1 . 17485 1 119 . 2 2 13 13 PHE HZ H 1 6.82 0.03 . 1 1 . . B 304 PHE HZ . 17485 1 120 . 2 2 13 13 PHE C C 13 176.78 0.20 . 1 1 . . B 304 PHE C . 17485 1 121 . 2 2 13 13 PHE CA C 13 61.20 0.20 . 1 1 . . B 304 PHE CA . 17485 1 122 . 2 2 13 13 PHE CB C 13 39.43 0.20 . 1 1 . . B 304 PHE CB . 17485 1 123 . 2 2 13 13 PHE N N 15 121.53 0.30 . 1 1 . . B 304 PHE N . 17485 1 124 . 2 2 14 14 ASN H H 1 8.38 0.03 . 1 1 . . B 305 ASN H . 17485 1 125 . 2 2 14 14 ASN HA H 1 4.37 0.03 . 1 1 . . B 305 ASN HA . 17485 1 126 . 2 2 14 14 ASN HB2 H 1 2.81 0.03 . 2 1 . . B 305 ASN HB2 . 17485 1 127 . 2 2 14 14 ASN HB3 H 1 2.93 0.03 . 2 1 . . B 305 ASN HB3 . 17485 1 128 . 2 2 14 14 ASN C C 13 177.43 0.20 . 1 1 . . B 305 ASN C . 17485 1 129 . 2 2 14 14 ASN CA C 13 56.39 0.20 . 1 1 . . B 305 ASN CA . 17485 1 130 . 2 2 14 14 ASN CB C 13 38.11 0.20 . 1 1 . . B 305 ASN CB . 17485 1 131 . 2 2 14 14 ASN N N 15 116.93 0.30 . 1 1 . . B 305 ASN N . 17485 1 132 . 2 2 15 15 HIS H H 1 8.09 0.03 . 1 1 . . B 306 HIS H . 17485 1 133 . 2 2 15 15 HIS HA H 1 4.70 0.03 . 1 1 . . B 306 HIS HA . 17485 1 134 . 2 2 15 15 HIS HB2 H 1 3.46 0.03 . 2 1 . . B 306 HIS HB2 . 17485 1 135 . 2 2 15 15 HIS HB3 H 1 3.57 0.03 . 2 1 . . B 306 HIS HB3 . 17485 1 136 . 2 2 15 15 HIS HD2 H 1 7.46 0.03 . 1 1 . . B 306 HIS HD2 . 17485 1 137 . 2 2 15 15 HIS C C 13 177.40 0.20 . 1 1 . . B 306 HIS C . 17485 1 138 . 2 2 15 15 HIS CA C 13 58.04 0.20 . 1 1 . . B 306 HIS CA . 17485 1 139 . 2 2 15 15 HIS CB C 13 29.44 0.20 . 1 1 . . B 306 HIS CB . 17485 1 140 . 2 2 15 15 HIS N N 15 118.70 0.30 . 1 1 . . B 306 HIS N . 17485 1 141 . 2 2 16 16 ALA H H 1 8.06 0.03 . 1 1 . . B 307 ALA H . 17485 1 142 . 2 2 16 16 ALA HA H 1 3.99 0.03 . 1 1 . . B 307 ALA HA . 17485 1 143 . 2 2 16 16 ALA HB1 H 1 1.38 0.03 . 1 1 . . B 307 ALA HB1 . 17485 1 144 . 2 2 16 16 ALA HB2 H 1 1.38 0.03 . 1 1 . . B 307 ALA HB2 . 17485 1 145 . 2 2 16 16 ALA HB3 H 1 1.38 0.03 . 1 1 . . B 307 ALA HB3 . 17485 1 146 . 2 2 16 16 ALA C C 13 178.22 0.20 . 1 1 . . B 307 ALA C . 17485 1 147 . 2 2 16 16 ALA CA C 13 55.98 0.20 . 1 1 . . B 307 ALA CA . 17485 1 148 . 2 2 16 16 ALA CB C 13 18.43 0.20 . 1 1 . . B 307 ALA CB . 17485 1 149 . 2 2 16 16 ALA N N 15 122.75 0.30 . 1 1 . . B 307 ALA N . 17485 1 150 . 2 2 17 17 ILE H H 1 8.05 0.03 . 1 1 . . B 308 ILE H . 17485 1 151 . 2 2 17 17 ILE HA H 1 3.43 0.03 . 1 1 . . B 308 ILE HA . 17485 1 152 . 2 2 17 17 ILE HB H 1 1.85 0.03 . 1 1 . . B 308 ILE HB . 17485 1 153 . 2 2 17 17 ILE HG12 H 1 1.24 0.03 . 2 1 . . B 308 ILE HG12 . 17485 1 154 . 2 2 17 17 ILE HG13 H 1 0.78 0.03 . 2 1 . . B 308 ILE HG13 . 17485 1 155 . 2 2 17 17 ILE HG21 H 1 0.80 0.03 . 1 1 . . B 308 ILE HG21 . 17485 1 156 . 2 2 17 17 ILE HG22 H 1 0.80 0.03 . 1 1 . . B 308 ILE HG22 . 17485 1 157 . 2 2 17 17 ILE HG23 H 1 0.80 0.03 . 1 1 . . B 308 ILE HG23 . 17485 1 158 . 2 2 17 17 ILE HD11 H 1 0.62 0.03 . 1 1 . . B 308 ILE HD11 . 17485 1 159 . 2 2 17 17 ILE HD12 H 1 0.62 0.03 . 1 1 . . B 308 ILE HD12 . 17485 1 160 . 2 2 17 17 ILE HD13 H 1 0.62 0.03 . 1 1 . . B 308 ILE HD13 . 17485 1 161 . 2 2 17 17 ILE C C 13 177.92 0.20 . 1 1 . . B 308 ILE C . 17485 1 162 . 2 2 17 17 ILE CA C 13 64.45 0.20 . 1 1 . . B 308 ILE CA . 17485 1 163 . 2 2 17 17 ILE CB C 13 37.73 0.20 . 1 1 . . B 308 ILE CB . 17485 1 164 . 2 2 17 17 ILE CG1 C 13 28.36 0.20 . 1 1 . . B 308 ILE CG1 . 17485 1 165 . 2 2 17 17 ILE CG2 C 13 17.09 0.20 . 1 1 . . B 308 ILE CG2 . 17485 1 166 . 2 2 17 17 ILE CD1 C 13 12.65 0.20 . 1 1 . . B 308 ILE CD1 . 17485 1 167 . 2 2 17 17 ILE N N 15 118.28 0.30 . 1 1 . . B 308 ILE N . 17485 1 168 . 2 2 18 18 ASN H H 1 8.10 0.03 . 1 1 . . B 309 ASN H . 17485 1 169 . 2 2 18 18 ASN HA H 1 4.43 0.03 . 1 1 . . B 309 ASN HA . 17485 1 170 . 2 2 18 18 ASN HB2 H 1 2.89 0.03 . 2 1 . . B 309 ASN HB2 . 17485 1 171 . 2 2 18 18 ASN HB3 H 1 3.06 0.03 . 2 1 . . B 309 ASN HB3 . 17485 1 172 . 2 2 18 18 ASN C C 13 178.14 0.20 . 1 1 . . B 309 ASN C . 17485 1 173 . 2 2 18 18 ASN CA C 13 56.32 0.20 . 1 1 . . B 309 ASN CA . 17485 1 174 . 2 2 18 18 ASN CB C 13 38.26 0.20 . 1 1 . . B 309 ASN CB . 17485 1 175 . 2 2 18 18 ASN N N 15 117.97 0.30 . 1 1 . . B 309 ASN N . 17485 1 176 . 2 2 19 19 TYR H H 1 8.53 0.03 . 1 1 . . B 310 TYR H . 17485 1 177 . 2 2 19 19 TYR HA H 1 4.41 0.03 . 1 1 . . B 310 TYR HA . 17485 1 178 . 2 2 19 19 TYR HB2 H 1 2.93 0.03 . 2 1 . . B 310 TYR HB2 . 17485 1 179 . 2 2 19 19 TYR HB3 H 1 3.31 0.03 . 2 1 . . B 310 TYR HB3 . 17485 1 180 . 2 2 19 19 TYR HD2 H 1 6.95 0.03 . 3 1 . . B 310 TYR HD2 . 17485 1 181 . 2 2 19 19 TYR HE2 H 1 6.82 0.03 . 3 1 . . B 310 TYR HE2 . 17485 1 182 . 2 2 19 19 TYR C C 13 176.76 0.20 . 1 1 . . B 310 TYR C . 17485 1 183 . 2 2 19 19 TYR CA C 13 61.41 0.20 . 1 1 . . B 310 TYR CA . 17485 1 184 . 2 2 19 19 TYR CB C 13 38.97 0.20 . 1 1 . . B 310 TYR CB . 17485 1 185 . 2 2 19 19 TYR N N 15 122.65 0.30 . 1 1 . . B 310 TYR N . 17485 1 186 . 2 2 20 20 VAL H H 1 8.36 0.03 . 1 1 . . B 311 VAL H . 17485 1 187 . 2 2 20 20 VAL HA H 1 3.42 0.03 . 1 1 . . B 311 VAL HA . 17485 1 188 . 2 2 20 20 VAL HB H 1 2.20 0.03 . 1 1 . . B 311 VAL HB . 17485 1 189 . 2 2 20 20 VAL HG11 H 1 1.07 0.03 . 2 1 . . B 311 VAL HG11 . 17485 1 190 . 2 2 20 20 VAL HG12 H 1 1.07 0.03 . 2 1 . . B 311 VAL HG12 . 17485 1 191 . 2 2 20 20 VAL HG13 H 1 1.07 0.03 . 2 1 . . B 311 VAL HG13 . 17485 1 192 . 2 2 20 20 VAL HG21 H 1 1.08 0.03 . 2 1 . . B 311 VAL HG21 . 17485 1 193 . 2 2 20 20 VAL HG22 H 1 1.08 0.03 . 2 1 . . B 311 VAL HG22 . 17485 1 194 . 2 2 20 20 VAL HG23 H 1 1.08 0.03 . 2 1 . . B 311 VAL HG23 . 17485 1 195 . 2 2 20 20 VAL C C 13 178.03 0.20 . 1 1 . . B 311 VAL C . 17485 1 196 . 2 2 20 20 VAL CA C 13 67.50 0.20 . 1 1 . . B 311 VAL CA . 17485 1 197 . 2 2 20 20 VAL CB C 13 31.28 0.20 . 1 1 . . B 311 VAL CB . 17485 1 198 . 2 2 20 20 VAL CG1 C 13 23.84 0.20 . 2 1 . . B 311 VAL CG1 . 17485 1 199 . 2 2 20 20 VAL CG2 C 13 22.62 0.20 . 2 1 . . B 311 VAL CG2 . 17485 1 200 . 2 2 20 20 VAL N N 15 118.51 0.30 . 1 1 . . B 311 VAL N . 17485 1 201 . 2 2 21 21 ASN H H 1 8.10 0.03 . 1 1 . . B 312 ASN H . 17485 1 202 . 2 2 21 21 ASN HA H 1 4.34 0.03 . 1 1 . . B 312 ASN HA . 17485 1 203 . 2 2 21 21 ASN HB2 H 1 2.66 0.03 . 2 1 . . B 312 ASN HB2 . 17485 1 204 . 2 2 21 21 ASN HB3 H 1 2.73 0.03 . 2 1 . . B 312 ASN HB3 . 17485 1 205 . 2 2 21 21 ASN C C 13 177.30 0.20 . 1 1 . . B 312 ASN C . 17485 1 206 . 2 2 21 21 ASN CA C 13 56.13 0.20 . 1 1 . . B 312 ASN CA . 17485 1 207 . 2 2 21 21 ASN CB C 13 38.85 0.20 . 1 1 . . B 312 ASN CB . 17485 1 208 . 2 2 21 21 ASN N N 15 117.51 0.30 . 1 1 . . B 312 ASN N . 17485 1 209 . 2 2 22 22 LYS H H 1 7.99 0.03 . 1 1 . . B 313 LYS H . 17485 1 210 . 2 2 22 22 LYS HA H 1 3.98 0.03 . 1 1 . . B 313 LYS HA . 17485 1 211 . 2 2 22 22 LYS HB2 H 1 1.89 0.03 . 2 1 . . B 313 LYS HB2 . 17485 1 212 . 2 2 22 22 LYS HB3 H 1 1.96 0.03 . 2 1 . . B 313 LYS HB3 . 17485 1 213 . 2 2 22 22 LYS HG2 H 1 1.15 0.03 . 2 1 . . B 313 LYS HG2 . 17485 1 214 . 2 2 22 22 LYS HG3 H 1 1.57 0.03 . 2 1 . . B 313 LYS HG3 . 17485 1 215 . 2 2 22 22 LYS HD3 H 1 1.68 0.03 . 2 1 . . B 313 LYS HD3 . 17485 1 216 . 2 2 22 22 LYS HE2 H 1 2.82 0.03 . 2 1 . . B 313 LYS HE2 . 17485 1 217 . 2 2 22 22 LYS HE3 H 1 2.94 0.03 . 2 1 . . B 313 LYS HE3 . 17485 1 218 . 2 2 22 22 LYS C C 13 179.40 0.20 . 1 1 . . B 313 LYS C . 17485 1 219 . 2 2 22 22 LYS CA C 13 60.17 0.20 . 1 1 . . B 313 LYS CA . 17485 1 220 . 2 2 22 22 LYS CB C 13 32.59 0.20 . 1 1 . . B 313 LYS CB . 17485 1 221 . 2 2 22 22 LYS CG C 13 25.34 0.20 . 1 1 . . B 313 LYS CG . 17485 1 222 . 2 2 22 22 LYS CD C 13 30.18 0.20 . 1 1 . . B 313 LYS CD . 17485 1 223 . 2 2 22 22 LYS CE C 13 42.04 0.20 . 1 1 . . B 313 LYS CE . 17485 1 224 . 2 2 22 22 LYS N N 15 123.13 0.30 . 1 1 . . B 313 LYS N . 17485 1 225 . 2 2 23 23 ILE H H 1 7.81 0.03 . 1 1 . . B 314 ILE H . 17485 1 226 . 2 2 23 23 ILE HA H 1 3.16 0.03 . 1 1 . . B 314 ILE HA . 17485 1 227 . 2 2 23 23 ILE HB H 1 1.85 0.03 . 1 1 . . B 314 ILE HB . 17485 1 228 . 2 2 23 23 ILE HG12 H 1 1.03 0.03 . 2 1 . . B 314 ILE HG12 . 17485 1 229 . 2 2 23 23 ILE HG13 H 1 0.40 0.03 . 2 1 . . B 314 ILE HG13 . 17485 1 230 . 2 2 23 23 ILE HG21 H 1 0.81 0.03 . 1 1 . . B 314 ILE HG21 . 17485 1 231 . 2 2 23 23 ILE HG22 H 1 0.81 0.03 . 1 1 . . B 314 ILE HG22 . 17485 1 232 . 2 2 23 23 ILE HG23 H 1 0.81 0.03 . 1 1 . . B 314 ILE HG23 . 17485 1 233 . 2 2 23 23 ILE HD11 H 1 -0.02 0.03 . 1 1 . . B 314 ILE HD11 . 17485 1 234 . 2 2 23 23 ILE HD12 H 1 -0.02 0.03 . 1 1 . . B 314 ILE HD12 . 17485 1 235 . 2 2 23 23 ILE HD13 H 1 -0.02 0.03 . 1 1 . . B 314 ILE HD13 . 17485 1 236 . 2 2 23 23 ILE C C 13 177.20 0.20 . 1 1 . . B 314 ILE C . 17485 1 237 . 2 2 23 23 ILE CA C 13 65.41 0.20 . 1 1 . . B 314 ILE CA . 17485 1 238 . 2 2 23 23 ILE CB C 13 38.10 0.20 . 1 1 . . B 314 ILE CB . 17485 1 239 . 2 2 23 23 ILE CG1 C 13 28.68 0.20 . 1 1 . . B 314 ILE CG1 . 17485 1 240 . 2 2 23 23 ILE CG2 C 13 18.67 0.20 . 1 1 . . B 314 ILE CG2 . 17485 1 241 . 2 2 23 23 ILE CD1 C 13 14.16 0.20 . 1 1 . . B 314 ILE CD1 . 17485 1 242 . 2 2 23 23 ILE N N 15 120.53 0.30 . 1 1 . . B 314 ILE N . 17485 1 243 . 2 2 24 24 LYS H H 1 8.04 0.03 . 1 1 . . B 315 LYS H . 17485 1 244 . 2 2 24 24 LYS HA H 1 3.07 0.03 . 1 1 . . B 315 LYS HA . 17485 1 245 . 2 2 24 24 LYS HB2 H 1 1.38 0.03 . 2 1 . . B 315 LYS HB2 . 17485 1 246 . 2 2 24 24 LYS HB3 H 1 1.62 0.03 . 2 1 . . B 315 LYS HB3 . 17485 1 247 . 2 2 24 24 LYS HG2 H 1 0.75 0.03 . 2 1 . . B 315 LYS HG2 . 17485 1 248 . 2 2 24 24 LYS HG3 H 1 0.79 0.03 . 2 1 . . B 315 LYS HG3 . 17485 1 249 . 2 2 24 24 LYS HD3 H 1 1.46 0.03 . 2 1 . . B 315 LYS HD3 . 17485 1 250 . 2 2 24 24 LYS HE3 H 1 2.83 0.03 . 2 1 . . B 315 LYS HE3 . 17485 1 251 . 2 2 24 24 LYS C C 13 179.44 0.20 . 1 1 . . B 315 LYS C . 17485 1 252 . 2 2 24 24 LYS CA C 13 59.96 0.20 . 1 1 . . B 315 LYS CA . 17485 1 253 . 2 2 24 24 LYS CB C 13 32.40 0.20 . 1 1 . . B 315 LYS CB . 17485 1 254 . 2 2 24 24 LYS CG C 13 25.15 0.20 . 1 1 . . B 315 LYS CG . 17485 1 255 . 2 2 24 24 LYS CD C 13 29.50 0.20 . 1 1 . . B 315 LYS CD . 17485 1 256 . 2 2 24 24 LYS CE C 13 42.04 0.20 . 1 1 . . B 315 LYS CE . 17485 1 257 . 2 2 24 24 LYS N N 15 119.25 0.30 . 1 1 . . B 315 LYS N . 17485 1 258 . 2 2 25 25 ASN H H 1 7.89 0.03 . 1 1 . . B 316 ASN H . 17485 1 259 . 2 2 25 25 ASN HA H 1 4.33 0.03 . 1 1 . . B 316 ASN HA . 17485 1 260 . 2 2 25 25 ASN HB2 H 1 2.66 0.03 . 2 1 . . B 316 ASN HB2 . 17485 1 261 . 2 2 25 25 ASN HB3 H 1 2.74 0.03 . 2 1 . . B 316 ASN HB3 . 17485 1 262 . 2 2 25 25 ASN C C 13 178.09 0.20 . 1 1 . . B 316 ASN C . 17485 1 263 . 2 2 25 25 ASN CA C 13 56.04 0.20 . 1 1 . . B 316 ASN CA . 17485 1 264 . 2 2 25 25 ASN CB C 13 39.01 0.20 . 1 1 . . B 316 ASN CB . 17485 1 265 . 2 2 25 25 ASN N N 15 114.65 0.30 . 1 1 . . B 316 ASN N . 17485 1 266 . 2 2 26 26 ARG H H 1 8.20 0.03 . 1 1 . . B 317 ARG H . 17485 1 267 . 2 2 26 26 ARG HA H 1 3.84 0.03 . 1 1 . . B 317 ARG HA . 17485 1 268 . 2 2 26 26 ARG HB2 H 1 1.17 0.03 . 2 1 . . B 317 ARG HB2 . 17485 1 269 . 2 2 26 26 ARG HB3 H 1 1.64 0.03 . 2 1 . . B 317 ARG HB3 . 17485 1 270 . 2 2 26 26 ARG HG2 H 1 0.49 0.03 . 2 1 . . B 317 ARG HG2 . 17485 1 271 . 2 2 26 26 ARG HG3 H 1 0.92 0.03 . 2 1 . . B 317 ARG HG3 . 17485 1 272 . 2 2 26 26 ARG HD2 H 1 3.04 0.03 . 2 1 . . B 317 ARG HD2 . 17485 1 273 . 2 2 26 26 ARG HD3 H 1 3.11 0.03 . 2 1 . . B 317 ARG HD3 . 17485 1 274 . 2 2 26 26 ARG C C 13 177.53 0.20 . 1 1 . . B 317 ARG C . 17485 1 275 . 2 2 26 26 ARG CA C 13 56.47 0.20 . 1 1 . . B 317 ARG CA . 17485 1 276 . 2 2 26 26 ARG CB C 13 27.95 0.20 . 1 1 . . B 317 ARG CB . 17485 1 277 . 2 2 26 26 ARG CG C 13 24.68 0.20 . 1 1 . . B 317 ARG CG . 17485 1 278 . 2 2 26 26 ARG CD C 13 40.01 0.20 . 1 1 . . B 317 ARG CD . 17485 1 279 . 2 2 26 26 ARG N N 15 122.09 0.30 . 1 1 . . B 317 ARG N . 17485 1 280 . 2 2 27 27 PHE H H 1 7.33 0.03 . 1 1 . . B 318 PHE H . 17485 1 281 . 2 2 27 27 PHE HA H 1 4.90 0.03 . 1 1 . . B 318 PHE HA . 17485 1 282 . 2 2 27 27 PHE HB2 H 1 2.46 0.03 . 2 1 . . B 318 PHE HB2 . 17485 1 283 . 2 2 27 27 PHE HB3 H 1 3.90 0.03 . 2 1 . . B 318 PHE HB3 . 17485 1 284 . 2 2 27 27 PHE HD1 H 1 7.31 0.03 . 3 1 . . B 318 PHE HD1 . 17485 1 285 . 2 2 27 27 PHE HE1 H 1 6.95 0.03 . 3 1 . . B 318 PHE HE1 . 17485 1 286 . 2 2 27 27 PHE HZ H 1 6.86 0.03 . 1 1 . . B 318 PHE HZ . 17485 1 287 . 2 2 27 27 PHE C C 13 177.05 0.20 . 1 1 . . B 318 PHE C . 17485 1 288 . 2 2 27 27 PHE CA C 13 57.36 0.20 . 1 1 . . B 318 PHE CA . 17485 1 289 . 2 2 27 27 PHE CB C 13 37.84 0.20 . 1 1 . . B 318 PHE CB . 17485 1 290 . 2 2 27 27 PHE N N 15 113.43 0.30 . 1 1 . . B 318 PHE N . 17485 1 291 . 2 2 28 28 GLN H H 1 7.20 0.03 . 1 1 . . B 319 GLN H . 17485 1 292 . 2 2 28 28 GLN HA H 1 4.06 0.03 . 1 1 . . B 319 GLN HA . 17485 1 293 . 2 2 28 28 GLN HB2 H 1 2.08 0.03 . 2 1 . . B 319 GLN HB2 . 17485 1 294 . 2 2 28 28 GLN HB3 H 1 2.25 0.03 . 2 1 . . B 319 GLN HB3 . 17485 1 295 . 2 2 28 28 GLN HG3 H 1 2.44 0.03 . 2 1 . . B 319 GLN HG3 . 17485 1 296 . 2 2 28 28 GLN C C 13 177.25 0.20 . 1 1 . . B 319 GLN C . 17485 1 297 . 2 2 28 28 GLN CA C 13 59.60 0.20 . 1 1 . . B 319 GLN CA . 17485 1 298 . 2 2 28 28 GLN CB C 13 28.75 0.20 . 1 1 . . B 319 GLN CB . 17485 1 299 . 2 2 28 28 GLN CG C 13 33.69 0.20 . 1 1 . . B 319 GLN CG . 17485 1 300 . 2 2 28 28 GLN N N 15 123.41 0.30 . 1 1 . . B 319 GLN N . 17485 1 301 . 2 2 29 29 GLY H H 1 8.88 0.03 . 1 1 . . B 320 GLY H . 17485 1 302 . 2 2 29 29 GLY HA2 H 1 3.83 0.03 . 2 1 . . B 320 GLY HA2 . 17485 1 303 . 2 2 29 29 GLY HA3 H 1 4.22 0.03 . 2 1 . . B 320 GLY HA3 . 17485 1 304 . 2 2 29 29 GLY C C 13 173.96 0.20 . 1 1 . . B 320 GLY C . 17485 1 305 . 2 2 29 29 GLY CA C 13 44.93 0.20 . 1 1 . . B 320 GLY CA . 17485 1 306 . 2 2 29 29 GLY N N 15 106.04 0.30 . 1 1 . . B 320 GLY N . 17485 1 307 . 2 2 30 30 GLN H H 1 7.72 0.03 . 1 1 . . B 321 GLN H . 17485 1 308 . 2 2 30 30 GLN HA H 1 4.95 0.03 . 1 1 . . B 321 GLN HA . 17485 1 309 . 2 2 30 30 GLN HB2 H 1 2.18 0.03 . 2 1 . . B 321 GLN HB2 . 17485 1 310 . 2 2 30 30 GLN HB3 H 1 2.36 0.03 . 2 1 . . B 321 GLN HB3 . 17485 1 311 . 2 2 30 30 GLN HG2 H 1 2.37 0.03 . 2 1 . . B 321 GLN HG2 . 17485 1 312 . 2 2 30 30 GLN HG3 H 1 2.47 0.03 . 2 1 . . B 321 GLN HG3 . 17485 1 313 . 2 2 30 30 GLN CA C 13 54.00 0.20 . 1 1 . . B 321 GLN CA . 17485 1 314 . 2 2 30 30 GLN CB C 13 30.99 0.20 . 1 1 . . B 321 GLN CB . 17485 1 315 . 2 2 30 30 GLN CG C 13 34.29 0.20 . 1 1 . . B 321 GLN CG . 17485 1 316 . 2 2 30 30 GLN N N 15 119.32 0.30 . 1 1 . . B 321 GLN N . 17485 1 317 . 2 2 31 31 PRO HA H 1 4.48 0.03 . 1 1 . . B 322 PRO HA . 17485 1 318 . 2 2 31 31 PRO HB2 H 1 2.15 0.03 . 2 1 . . B 322 PRO HB2 . 17485 1 319 . 2 2 31 31 PRO HB3 H 1 2.43 0.03 . 2 1 . . B 322 PRO HB3 . 17485 1 320 . 2 2 31 31 PRO HG2 H 1 2.07 0.03 . 2 1 . . B 322 PRO HG2 . 17485 1 321 . 2 2 31 31 PRO HG3 H 1 2.11 0.03 . 2 1 . . B 322 PRO HG3 . 17485 1 322 . 2 2 31 31 PRO HD2 H 1 3.47 0.03 . 2 1 . . B 322 PRO HD2 . 17485 1 323 . 2 2 31 31 PRO HD3 H 1 3.76 0.03 . 2 1 . . B 322 PRO HD3 . 17485 1 324 . 2 2 31 31 PRO C C 13 178.07 0.20 . 1 1 . . B 322 PRO C . 17485 1 325 . 2 2 31 31 PRO CA C 13 65.37 0.20 . 1 1 . . B 322 PRO CA . 17485 1 326 . 2 2 31 31 PRO CB C 13 31.99 0.20 . 1 1 . . B 322 PRO CB . 17485 1 327 . 2 2 31 31 PRO CG C 13 27.88 0.20 . 1 1 . . B 322 PRO CG . 17485 1 328 . 2 2 31 31 PRO CD C 13 50.73 0.20 . 1 1 . . B 322 PRO CD . 17485 1 329 . 2 2 32 32 ASP H H 1 9.03 0.03 . 1 1 . . B 323 ASP H . 17485 1 330 . 2 2 32 32 ASP HA H 1 4.39 0.03 . 1 1 . . B 323 ASP HA . 17485 1 331 . 2 2 32 32 ASP HB2 H 1 2.60 0.03 . 2 1 . . B 323 ASP HB2 . 17485 1 332 . 2 2 32 32 ASP HB3 H 1 2.70 0.03 . 2 1 . . B 323 ASP HB3 . 17485 1 333 . 2 2 32 32 ASP C C 13 179.15 0.20 . 1 1 . . B 323 ASP C . 17485 1 334 . 2 2 32 32 ASP CA C 13 57.08 0.20 . 1 1 . . B 323 ASP CA . 17485 1 335 . 2 2 32 32 ASP CB C 13 39.75 0.20 . 1 1 . . B 323 ASP CB . 17485 1 336 . 2 2 32 32 ASP N N 15 117.69 0.30 . 1 1 . . B 323 ASP N . 17485 1 337 . 2 2 33 33 ILE H H 1 7.97 0.03 . 1 1 . . B 324 ILE H . 17485 1 338 . 2 2 33 33 ILE HA H 1 3.71 0.03 . 1 1 . . B 324 ILE HA . 17485 1 339 . 2 2 33 33 ILE HB H 1 1.55 0.03 . 1 1 . . B 324 ILE HB . 17485 1 340 . 2 2 33 33 ILE HG12 H 1 1.52 0.03 . 2 1 . . B 324 ILE HG12 . 17485 1 341 . 2 2 33 33 ILE HG13 H 1 1.18 0.03 . 2 1 . . B 324 ILE HG13 . 17485 1 342 . 2 2 33 33 ILE HG21 H 1 0.01 0.03 . 1 1 . . B 324 ILE HG21 . 17485 1 343 . 2 2 33 33 ILE HG22 H 1 0.01 0.03 . 1 1 . . B 324 ILE HG22 . 17485 1 344 . 2 2 33 33 ILE HG23 H 1 0.01 0.03 . 1 1 . . B 324 ILE HG23 . 17485 1 345 . 2 2 33 33 ILE HD11 H 1 0.76 0.03 . 1 1 . . B 324 ILE HD11 . 17485 1 346 . 2 2 33 33 ILE HD12 H 1 0.76 0.03 . 1 1 . . B 324 ILE HD12 . 17485 1 347 . 2 2 33 33 ILE HD13 H 1 0.76 0.03 . 1 1 . . B 324 ILE HD13 . 17485 1 348 . 2 2 33 33 ILE C C 13 177.32 0.20 . 1 1 . . B 324 ILE C . 17485 1 349 . 2 2 33 33 ILE CA C 13 64.31 0.20 . 1 1 . . B 324 ILE CA . 17485 1 350 . 2 2 33 33 ILE CB C 13 36.88 0.20 . 1 1 . . B 324 ILE CB . 17485 1 351 . 2 2 33 33 ILE CG1 C 13 28.43 0.20 . 1 1 . . B 324 ILE CG1 . 17485 1 352 . 2 2 33 33 ILE CG2 C 13 16.00 0.20 . 1 1 . . B 324 ILE CG2 . 17485 1 353 . 2 2 33 33 ILE CD1 C 13 11.75 0.20 . 1 1 . . B 324 ILE CD1 . 17485 1 354 . 2 2 33 33 ILE N N 15 122.20 0.30 . 1 1 . . B 324 ILE N . 17485 1 355 . 2 2 34 34 TYR H H 1 6.90 0.03 . 1 1 . . B 325 TYR H . 17485 1 356 . 2 2 34 34 TYR HA H 1 4.16 0.03 . 1 1 . . B 325 TYR HA . 17485 1 357 . 2 2 34 34 TYR HB2 H 1 3.11 0.03 . 2 1 . . B 325 TYR HB2 . 17485 1 358 . 2 2 34 34 TYR HB3 H 1 3.15 0.03 . 2 1 . . B 325 TYR HB3 . 17485 1 359 . 2 2 34 34 TYR HD2 H 1 7.04 0.03 . 3 1 . . B 325 TYR HD2 . 17485 1 360 . 2 2 34 34 TYR HE2 H 1 6.78 0.03 . 3 1 . . B 325 TYR HE2 . 17485 1 361 . 2 2 34 34 TYR C C 13 176.85 0.20 . 1 1 . . B 325 TYR C . 17485 1 362 . 2 2 34 34 TYR CA C 13 61.48 0.20 . 1 1 . . B 325 TYR CA . 17485 1 363 . 2 2 34 34 TYR CB C 13 38.98 0.20 . 1 1 . . B 325 TYR CB . 17485 1 364 . 2 2 34 34 TYR N N 15 119.26 0.30 . 1 1 . . B 325 TYR N . 17485 1 365 . 2 2 35 35 LYS H H 1 8.09 0.03 . 1 1 . . B 326 LYS H . 17485 1 366 . 2 2 35 35 LYS HA H 1 3.71 0.03 . 1 1 . . B 326 LYS HA . 17485 1 367 . 2 2 35 35 LYS HB3 H 1 1.86 0.03 . 2 1 . . B 326 LYS HB3 . 17485 1 368 . 2 2 35 35 LYS HG2 H 1 1.40 0.03 . 2 1 . . B 326 LYS HG2 . 17485 1 369 . 2 2 35 35 LYS HG3 H 1 1.58 0.03 . 2 1 . . B 326 LYS HG3 . 17485 1 370 . 2 2 35 35 LYS HD3 H 1 1.68 0.03 . 2 1 . . B 326 LYS HD3 . 17485 1 371 . 2 2 35 35 LYS HE3 H 1 2.96 0.03 . 2 1 . . B 326 LYS HE3 . 17485 1 372 . 2 2 35 35 LYS C C 13 178.49 0.20 . 1 1 . . B 326 LYS C . 17485 1 373 . 2 2 35 35 LYS CA C 13 60.04 0.20 . 1 1 . . B 326 LYS CA . 17485 1 374 . 2 2 35 35 LYS CB C 13 32.60 0.20 . 1 1 . . B 326 LYS CB . 17485 1 375 . 2 2 35 35 LYS CG C 13 25.54 0.20 . 1 1 . . B 326 LYS CG . 17485 1 376 . 2 2 35 35 LYS CD C 13 29.64 0.20 . 1 1 . . B 326 LYS CD . 17485 1 377 . 2 2 35 35 LYS CE C 13 42.09 0.20 . 1 1 . . B 326 LYS CE . 17485 1 378 . 2 2 35 35 LYS N N 15 116.81 0.30 . 1 1 . . B 326 LYS N . 17485 1 379 . 2 2 36 36 ALA H H 1 7.80 0.03 . 1 1 . . B 327 ALA H . 17485 1 380 . 2 2 36 36 ALA HA H 1 4.09 0.03 . 1 1 . . B 327 ALA HA . 17485 1 381 . 2 2 36 36 ALA HB1 H 1 1.52 0.03 . 1 1 . . B 327 ALA HB1 . 17485 1 382 . 2 2 36 36 ALA HB2 H 1 1.52 0.03 . 1 1 . . B 327 ALA HB2 . 17485 1 383 . 2 2 36 36 ALA HB3 H 1 1.52 0.03 . 1 1 . . B 327 ALA HB3 . 17485 1 384 . 2 2 36 36 ALA C C 13 179.96 0.20 . 1 1 . . B 327 ALA C . 17485 1 385 . 2 2 36 36 ALA CA C 13 55.18 0.20 . 1 1 . . B 327 ALA CA . 17485 1 386 . 2 2 36 36 ALA CB C 13 18.37 0.20 . 1 1 . . B 327 ALA CB . 17485 1 387 . 2 2 36 36 ALA N N 15 121.69 0.30 . 1 1 . . B 327 ALA N . 17485 1 388 . 2 2 37 37 PHE H H 1 8.01 0.03 . 1 1 . . B 328 PHE H . 17485 1 389 . 2 2 37 37 PHE HA H 1 3.88 0.03 . 1 1 . . B 328 PHE HA . 17485 1 390 . 2 2 37 37 PHE HB2 H 1 3.00 0.03 . 2 1 . . B 328 PHE HB2 . 17485 1 391 . 2 2 37 37 PHE HB3 H 1 3.40 0.03 . 2 1 . . B 328 PHE HB3 . 17485 1 392 . 2 2 37 37 PHE HD1 H 1 6.83 0.03 . 3 1 . . B 328 PHE HD1 . 17485 1 393 . 2 2 37 37 PHE HE1 H 1 6.96 0.03 . 3 1 . . B 328 PHE HE1 . 17485 1 394 . 2 2 37 37 PHE HZ H 1 7.44 0.03 . 1 1 . . B 328 PHE HZ . 17485 1 395 . 2 2 37 37 PHE C C 13 175.79 0.20 . 1 1 . . B 328 PHE C . 17485 1 396 . 2 2 37 37 PHE CA C 13 61.30 0.20 . 1 1 . . B 328 PHE CA . 17485 1 397 . 2 2 37 37 PHE CB C 13 38.63 0.20 . 1 1 . . B 328 PHE CB . 17485 1 398 . 2 2 37 37 PHE N N 15 120.63 0.30 . 1 1 . . B 328 PHE N . 17485 1 399 . 2 2 38 38 LEU H H 1 7.86 0.03 . 1 1 . . B 329 LEU H . 17485 1 400 . 2 2 38 38 LEU HA H 1 3.48 0.03 . 1 1 . . B 329 LEU HA . 17485 1 401 . 2 2 38 38 LEU HB2 H 1 1.09 0.03 . 2 1 . . B 329 LEU HB2 . 17485 1 402 . 2 2 38 38 LEU HB3 H 1 1.79 0.03 . 2 1 . . B 329 LEU HB3 . 17485 1 403 . 2 2 38 38 LEU HG H 1 1.42 0.03 . 1 1 . . B 329 LEU HG . 17485 1 404 . 2 2 38 38 LEU HD11 H 1 0.75 0.03 . 2 1 . . B 329 LEU HD11 . 17485 1 405 . 2 2 38 38 LEU HD12 H 1 0.75 0.03 . 2 1 . . B 329 LEU HD12 . 17485 1 406 . 2 2 38 38 LEU HD13 H 1 0.75 0.03 . 2 1 . . B 329 LEU HD13 . 17485 1 407 . 2 2 38 38 LEU HD21 H 1 0.60 0.03 . 2 1 . . B 329 LEU HD21 . 17485 1 408 . 2 2 38 38 LEU HD22 H 1 0.60 0.03 . 2 1 . . B 329 LEU HD22 . 17485 1 409 . 2 2 38 38 LEU HD23 H 1 0.60 0.03 . 2 1 . . B 329 LEU HD23 . 17485 1 410 . 2 2 38 38 LEU C C 13 179.13 0.20 . 1 1 . . B 329 LEU C . 17485 1 411 . 2 2 38 38 LEU CA C 13 57.91 0.20 . 1 1 . . B 329 LEU CA . 17485 1 412 . 2 2 38 38 LEU CB C 13 41.71 0.20 . 1 1 . . B 329 LEU CB . 17485 1 413 . 2 2 38 38 LEU CG C 13 26.23 0.20 . 1 1 . . B 329 LEU CG . 17485 1 414 . 2 2 38 38 LEU CD1 C 13 22.45 0.20 . 2 1 . . B 329 LEU CD1 . 17485 1 415 . 2 2 38 38 LEU CD2 C 13 26.07 0.20 . 2 1 . . B 329 LEU CD2 . 17485 1 416 . 2 2 38 38 LEU N N 15 117.14 0.30 . 1 1 . . B 329 LEU N . 17485 1 417 . 2 2 39 39 GLU H H 1 8.15 0.03 . 1 1 . . B 330 GLU H . 17485 1 418 . 2 2 39 39 GLU HA H 1 4.09 0.03 . 1 1 . . B 330 GLU HA . 17485 1 419 . 2 2 39 39 GLU HB3 H 1 2.06 0.03 . 2 1 . . B 330 GLU HB3 . 17485 1 420 . 2 2 39 39 GLU HG3 H 1 2.28 0.03 . 2 1 . . B 330 GLU HG3 . 17485 1 421 . 2 2 39 39 GLU C C 13 179.67 0.20 . 1 1 . . B 330 GLU C . 17485 1 422 . 2 2 39 39 GLU CA C 13 59.21 0.20 . 1 1 . . B 330 GLU CA . 17485 1 423 . 2 2 39 39 GLU CB C 13 29.31 0.20 . 1 1 . . B 330 GLU CB . 17485 1 424 . 2 2 39 39 GLU CG C 13 36.20 0.20 . 1 1 . . B 330 GLU CG . 17485 1 425 . 2 2 39 39 GLU N N 15 118.47 0.30 . 1 1 . . B 330 GLU N . 17485 1 426 . 2 2 40 40 ILE H H 1 7.74 0.03 . 1 1 . . B 331 ILE H . 17485 1 427 . 2 2 40 40 ILE HA H 1 3.73 0.03 . 1 1 . . B 331 ILE HA . 17485 1 428 . 2 2 40 40 ILE HB H 1 1.78 0.03 . 1 1 . . B 331 ILE HB . 17485 1 429 . 2 2 40 40 ILE HG12 H 1 1.80 0.03 . 2 1 . . B 331 ILE HG12 . 17485 1 430 . 2 2 40 40 ILE HG13 H 1 1.04 0.03 . 2 1 . . B 331 ILE HG13 . 17485 1 431 . 2 2 40 40 ILE HG21 H 1 0.82 0.03 . 1 1 . . B 331 ILE HG21 . 17485 1 432 . 2 2 40 40 ILE HG22 H 1 0.82 0.03 . 1 1 . . B 331 ILE HG22 . 17485 1 433 . 2 2 40 40 ILE HG23 H 1 0.82 0.03 . 1 1 . . B 331 ILE HG23 . 17485 1 434 . 2 2 40 40 ILE HD11 H 1 0.71 0.03 . 1 1 . . B 331 ILE HD11 . 17485 1 435 . 2 2 40 40 ILE HD12 H 1 0.71 0.03 . 1 1 . . B 331 ILE HD12 . 17485 1 436 . 2 2 40 40 ILE HD13 H 1 0.71 0.03 . 1 1 . . B 331 ILE HD13 . 17485 1 437 . 2 2 40 40 ILE C C 13 177.96 0.20 . 1 1 . . B 331 ILE C . 17485 1 438 . 2 2 40 40 ILE CA C 13 65.74 0.20 . 1 1 . . B 331 ILE CA . 17485 1 439 . 2 2 40 40 ILE CB C 13 38.48 0.20 . 1 1 . . B 331 ILE CB . 17485 1 440 . 2 2 40 40 ILE CG1 C 13 28.97 0.20 . 1 1 . . B 331 ILE CG1 . 17485 1 441 . 2 2 40 40 ILE CG2 C 13 18.47 0.20 . 1 1 . . B 331 ILE CG2 . 17485 1 442 . 2 2 40 40 ILE CD1 C 13 15.58 0.20 . 1 1 . . B 331 ILE CD1 . 17485 1 443 . 2 2 40 40 ILE N N 15 122.98 0.30 . 1 1 . . B 331 ILE N . 17485 1 444 . 2 2 41 41 LEU H H 1 7.06 0.03 . 1 1 . . B 332 LEU H . 17485 1 445 . 2 2 41 41 LEU HA H 1 3.89 0.03 . 1 1 . . B 332 LEU HA . 17485 1 446 . 2 2 41 41 LEU HB2 H 1 1.26 0.03 . 2 1 . . B 332 LEU HB2 . 17485 1 447 . 2 2 41 41 LEU HB3 H 1 1.81 0.03 . 2 1 . . B 332 LEU HB3 . 17485 1 448 . 2 2 41 41 LEU HG H 1 1.36 0.03 . 1 1 . . B 332 LEU HG . 17485 1 449 . 2 2 41 41 LEU HD11 H 1 0.51 0.03 . 2 1 . . B 332 LEU HD11 . 17485 1 450 . 2 2 41 41 LEU HD12 H 1 0.51 0.03 . 2 1 . . B 332 LEU HD12 . 17485 1 451 . 2 2 41 41 LEU HD13 H 1 0.51 0.03 . 2 1 . . B 332 LEU HD13 . 17485 1 452 . 2 2 41 41 LEU HD21 H 1 0.37 0.03 . 2 1 . . B 332 LEU HD21 . 17485 1 453 . 2 2 41 41 LEU HD22 H 1 0.37 0.03 . 2 1 . . B 332 LEU HD22 . 17485 1 454 . 2 2 41 41 LEU HD23 H 1 0.37 0.03 . 2 1 . . B 332 LEU HD23 . 17485 1 455 . 2 2 41 41 LEU C C 13 178.89 0.20 . 1 1 . . B 332 LEU C . 17485 1 456 . 2 2 41 41 LEU CA C 13 58.34 0.20 . 1 1 . . B 332 LEU CA . 17485 1 457 . 2 2 41 41 LEU CB C 13 40.83 0.20 . 1 1 . . B 332 LEU CB . 17485 1 458 . 2 2 41 41 LEU CG C 13 25.81 0.20 . 1 1 . . B 332 LEU CG . 17485 1 459 . 2 2 41 41 LEU CD1 C 13 21.97 0.20 . 2 1 . . B 332 LEU CD1 . 17485 1 460 . 2 2 41 41 LEU CD2 C 13 25.85 0.20 . 2 1 . . B 332 LEU CD2 . 17485 1 461 . 2 2 41 41 LEU N N 15 117.52 0.30 . 1 1 . . B 332 LEU N . 17485 1 462 . 2 2 42 42 HIS H H 1 8.88 0.03 . 1 1 . . B 333 HIS H . 17485 1 463 . 2 2 42 42 HIS HA H 1 4.41 0.03 . 1 1 . . B 333 HIS HA . 17485 1 464 . 2 2 42 42 HIS HB2 H 1 2.95 0.03 . 2 1 . . B 333 HIS HB2 . 17485 1 465 . 2 2 42 42 HIS HB3 H 1 3.27 0.03 . 2 1 . . B 333 HIS HB3 . 17485 1 466 . 2 2 42 42 HIS HD2 H 1 7.28 0.03 . 1 1 . . B 333 HIS HD2 . 17485 1 467 . 2 2 42 42 HIS C C 13 177.58 0.20 . 1 1 . . B 333 HIS C . 17485 1 468 . 2 2 42 42 HIS CA C 13 58.41 0.20 . 1 1 . . B 333 HIS CA . 17485 1 469 . 2 2 42 42 HIS CB C 13 29.34 0.20 . 1 1 . . B 333 HIS CB . 17485 1 470 . 2 2 42 42 HIS N N 15 117.94 0.30 . 1 1 . . B 333 HIS N . 17485 1 471 . 2 2 43 43 THR H H 1 8.66 0.03 . 1 1 . . B 334 THR H . 17485 1 472 . 2 2 43 43 THR HA H 1 3.75 0.03 . 1 1 . . B 334 THR HA . 17485 1 473 . 2 2 43 43 THR HB H 1 4.37 0.03 . 1 1 . . B 334 THR HB . 17485 1 474 . 2 2 43 43 THR HG21 H 1 1.26 0.03 . 1 1 . . B 334 THR HG21 . 17485 1 475 . 2 2 43 43 THR HG22 H 1 1.26 0.03 . 1 1 . . B 334 THR HG22 . 17485 1 476 . 2 2 43 43 THR HG23 H 1 1.26 0.03 . 1 1 . . B 334 THR HG23 . 17485 1 477 . 2 2 43 43 THR C C 13 175.73 0.20 . 1 1 . . B 334 THR C . 17485 1 478 . 2 2 43 43 THR CA C 13 67.56 0.20 . 1 1 . . B 334 THR CA . 17485 1 479 . 2 2 43 43 THR CB C 13 68.42 0.20 . 1 1 . . B 334 THR CB . 17485 1 480 . 2 2 43 43 THR CG2 C 13 22.15 0.20 . 1 1 . . B 334 THR CG2 . 17485 1 481 . 2 2 43 43 THR N N 15 118.12 0.30 . 1 1 . . B 334 THR N . 17485 1 482 . 2 2 44 44 TYR H H 1 8.15 0.03 . 1 1 . . B 335 TYR H . 17485 1 483 . 2 2 44 44 TYR HA H 1 4.02 0.03 . 1 1 . . B 335 TYR HA . 17485 1 484 . 2 2 44 44 TYR HB2 H 1 2.98 0.03 . 2 1 . . B 335 TYR HB2 . 17485 1 485 . 2 2 44 44 TYR HB3 H 1 3.25 0.03 . 2 1 . . B 335 TYR HB3 . 17485 1 486 . 2 2 44 44 TYR HD1 H 1 6.84 0.03 . 3 1 . . B 335 TYR HD1 . 17485 1 487 . 2 2 44 44 TYR HE1 H 1 6.70 0.03 . 3 1 . . B 335 TYR HE1 . 17485 1 488 . 2 2 44 44 TYR C C 13 176.90 0.20 . 1 1 . . B 335 TYR C . 17485 1 489 . 2 2 44 44 TYR CA C 13 62.64 0.20 . 1 1 . . B 335 TYR CA . 17485 1 490 . 2 2 44 44 TYR CB C 13 38.22 0.20 . 1 1 . . B 335 TYR CB . 17485 1 491 . 2 2 44 44 TYR N N 15 122.35 0.30 . 1 1 . . B 335 TYR N . 17485 1 492 . 2 2 45 45 GLN H H 1 8.44 0.03 . 1 1 . . B 336 GLN H . 17485 1 493 . 2 2 45 45 GLN HA H 1 3.96 0.03 . 1 1 . . B 336 GLN HA . 17485 1 494 . 2 2 45 45 GLN HB2 H 1 2.25 0.03 . 2 1 . . B 336 GLN HB2 . 17485 1 495 . 2 2 45 45 GLN HB3 H 1 2.46 0.03 . 2 1 . . B 336 GLN HB3 . 17485 1 496 . 2 2 45 45 GLN HG2 H 1 2.30 0.03 . 2 1 . . B 336 GLN HG2 . 17485 1 497 . 2 2 45 45 GLN HG3 H 1 2.55 0.03 . 2 1 . . B 336 GLN HG3 . 17485 1 498 . 2 2 45 45 GLN C C 13 178.54 0.20 . 1 1 . . B 336 GLN C . 17485 1 499 . 2 2 45 45 GLN CA C 13 59.36 0.20 . 1 1 . . B 336 GLN CA . 17485 1 500 . 2 2 45 45 GLN CB C 13 29.41 0.20 . 1 1 . . B 336 GLN CB . 17485 1 501 . 2 2 45 45 GLN CG C 13 34.17 0.20 . 1 1 . . B 336 GLN CG . 17485 1 502 . 2 2 45 45 GLN N N 15 119.43 0.30 . 1 1 . . B 336 GLN N . 17485 1 503 . 2 2 46 46 LYS H H 1 8.29 0.03 . 1 1 . . B 337 LYS H . 17485 1 504 . 2 2 46 46 LYS HA H 1 3.89 0.03 . 1 1 . . B 337 LYS HA . 17485 1 505 . 2 2 46 46 LYS HB3 H 1 1.84 0.03 . 2 1 . . B 337 LYS HB3 . 17485 1 506 . 2 2 46 46 LYS HG2 H 1 1.37 0.03 . 2 1 . . B 337 LYS HG2 . 17485 1 507 . 2 2 46 46 LYS HG3 H 1 1.45 0.03 . 2 1 . . B 337 LYS HG3 . 17485 1 508 . 2 2 46 46 LYS HD3 H 1 1.57 0.03 . 2 1 . . B 337 LYS HD3 . 17485 1 509 . 2 2 46 46 LYS HE2 H 1 2.77 0.03 . 2 1 . . B 337 LYS HE2 . 17485 1 510 . 2 2 46 46 LYS HE3 H 1 2.83 0.03 . 2 1 . . B 337 LYS HE3 . 17485 1 511 . 2 2 46 46 LYS C C 13 178.66 0.20 . 1 1 . . B 337 LYS C . 17485 1 512 . 2 2 46 46 LYS CA C 13 59.62 0.20 . 1 1 . . B 337 LYS CA . 17485 1 513 . 2 2 46 46 LYS CB C 13 32.47 0.20 . 1 1 . . B 337 LYS CB . 17485 1 514 . 2 2 46 46 LYS CG C 13 25.01 0.20 . 1 1 . . B 337 LYS CG . 17485 1 515 . 2 2 46 46 LYS CD C 13 29.61 0.20 . 1 1 . . B 337 LYS CD . 17485 1 516 . 2 2 46 46 LYS CE C 13 41.67 0.20 . 1 1 . . B 337 LYS CE . 17485 1 517 . 2 2 46 46 LYS N N 15 120.47 0.30 . 1 1 . . B 337 LYS N . 17485 1 518 . 2 2 47 47 GLU H H 1 8.09 0.03 . 1 1 . . B 338 GLU H . 17485 1 519 . 2 2 47 47 GLU HA H 1 4.11 0.03 . 1 1 . . B 338 GLU HA . 17485 1 520 . 2 2 47 47 GLU HB3 H 1 2.17 0.03 . 2 1 . . B 338 GLU HB3 . 17485 1 521 . 2 2 47 47 GLU HG3 H 1 2.40 0.03 . 2 1 . . B 338 GLU HG3 . 17485 1 522 . 2 2 47 47 GLU C C 13 179.11 0.20 . 1 1 . . B 338 GLU C . 17485 1 523 . 2 2 47 47 GLU CA C 13 59.14 0.20 . 1 1 . . B 338 GLU CA . 17485 1 524 . 2 2 47 47 GLU CB C 13 29.32 0.20 . 1 1 . . B 338 GLU CB . 17485 1 525 . 2 2 47 47 GLU CG C 13 36.86 0.20 . 1 1 . . B 338 GLU CG . 17485 1 526 . 2 2 47 47 GLU N N 15 118.75 0.30 . 1 1 . . B 338 GLU N . 17485 1 527 . 2 2 48 48 GLN H H 1 8.04 0.03 . 1 1 . . B 339 GLN H . 17485 1 528 . 2 2 48 48 GLN HA H 1 3.87 0.03 . 1 1 . . B 339 GLN HA . 17485 1 529 . 2 2 48 48 GLN HB2 H 1 1.94 0.03 . 2 1 . . B 339 GLN HB2 . 17485 1 530 . 2 2 48 48 GLN HB3 H 1 2.03 0.03 . 2 1 . . B 339 GLN HB3 . 17485 1 531 . 2 2 48 48 GLN HG2 H 1 1.97 0.03 . 2 1 . . B 339 GLN HG2 . 17485 1 532 . 2 2 48 48 GLN HG3 H 1 2.01 0.03 . 2 1 . . B 339 GLN HG3 . 17485 1 533 . 2 2 48 48 GLN C C 13 178.69 0.20 . 1 1 . . B 339 GLN C . 17485 1 534 . 2 2 48 48 GLN CA C 13 58.22 0.20 . 1 1 . . B 339 GLN CA . 17485 1 535 . 2 2 48 48 GLN CB C 13 28.49 0.20 . 1 1 . . B 339 GLN CB . 17485 1 536 . 2 2 48 48 GLN CG C 13 34.30 0.20 . 1 1 . . B 339 GLN CG . 17485 1 537 . 2 2 48 48 GLN N N 15 118.28 0.30 . 1 1 . . B 339 GLN N . 17485 1 538 . 2 2 49 49 ARG H H 1 7.92 0.03 . 1 1 . . B 340 ARG H . 17485 1 539 . 2 2 49 49 ARG HA H 1 4.05 0.03 . 1 1 . . B 340 ARG HA . 17485 1 540 . 2 2 49 49 ARG HB2 H 1 1.88 0.03 . 2 1 . . B 340 ARG HB2 . 17485 1 541 . 2 2 49 49 ARG HB3 H 1 1.91 0.03 . 2 1 . . B 340 ARG HB3 . 17485 1 542 . 2 2 49 49 ARG HG2 H 1 1.59 0.03 . 2 1 . . B 340 ARG HG2 . 17485 1 543 . 2 2 49 49 ARG HG3 H 1 1.74 0.03 . 2 1 . . B 340 ARG HG3 . 17485 1 544 . 2 2 49 49 ARG HD3 H 1 3.17 0.03 . 2 1 . . B 340 ARG HD3 . 17485 1 545 . 2 2 49 49 ARG C C 13 178.27 0.20 . 1 1 . . B 340 ARG C . 17485 1 546 . 2 2 49 49 ARG CA C 13 59.16 0.20 . 1 1 . . B 340 ARG CA . 17485 1 547 . 2 2 49 49 ARG CB C 13 29.85 0.20 . 1 1 . . B 340 ARG CB . 17485 1 548 . 2 2 49 49 ARG CG C 13 27.38 0.20 . 1 1 . . B 340 ARG CG . 17485 1 549 . 2 2 49 49 ARG CD C 13 43.73 0.20 . 1 1 . . B 340 ARG CD . 17485 1 550 . 2 2 49 49 ARG N N 15 120.66 0.30 . 1 1 . . B 340 ARG N . 17485 1 551 . 2 2 50 50 ASN H H 1 8.23 0.03 . 1 1 . . B 341 ASN H . 17485 1 552 . 2 2 50 50 ASN HA H 1 4.31 0.03 . 1 1 . . B 341 ASN HA . 17485 1 553 . 2 2 50 50 ASN HB2 H 1 2.39 0.03 . 2 1 . . B 341 ASN HB2 . 17485 1 554 . 2 2 50 50 ASN HB3 H 1 2.72 0.03 . 2 1 . . B 341 ASN HB3 . 17485 1 555 . 2 2 50 50 ASN C C 13 177.36 0.20 . 1 1 . . B 341 ASN C . 17485 1 556 . 2 2 50 50 ASN CA C 13 55.20 0.20 . 1 1 . . B 341 ASN CA . 17485 1 557 . 2 2 50 50 ASN CB C 13 38.04 0.20 . 1 1 . . B 341 ASN CB . 17485 1 558 . 2 2 50 50 ASN N N 15 118.71 0.30 . 1 1 . . B 341 ASN N . 17485 1 559 . 2 2 51 51 ALA H H 1 7.92 0.03 . 1 1 . . B 342 ALA H . 17485 1 560 . 2 2 51 51 ALA HA H 1 3.89 0.03 . 1 1 . . B 342 ALA HA . 17485 1 561 . 2 2 51 51 ALA HB1 H 1 1.43 0.03 . 1 1 . . B 342 ALA HB1 . 17485 1 562 . 2 2 51 51 ALA HB2 H 1 1.43 0.03 . 1 1 . . B 342 ALA HB2 . 17485 1 563 . 2 2 51 51 ALA HB3 H 1 1.43 0.03 . 1 1 . . B 342 ALA HB3 . 17485 1 564 . 2 2 51 51 ALA C C 13 179.32 0.20 . 1 1 . . B 342 ALA C . 17485 1 565 . 2 2 51 51 ALA CA C 13 54.76 0.20 . 1 1 . . B 342 ALA CA . 17485 1 566 . 2 2 51 51 ALA CB C 13 18.58 0.20 . 1 1 . . B 342 ALA CB . 17485 1 567 . 2 2 51 51 ALA N N 15 122.05 0.30 . 1 1 . . B 342 ALA N . 17485 1 568 . 2 2 52 52 LYS H H 1 7.74 0.03 . 1 1 . . B 343 LYS H . 17485 1 569 . 2 2 52 52 LYS HA H 1 4.10 0.03 . 1 1 . . B 343 LYS HA . 17485 1 570 . 2 2 52 52 LYS HB3 H 1 1.92 0.03 . 2 1 . . B 343 LYS HB3 . 17485 1 571 . 2 2 52 52 LYS HG2 H 1 1.44 0.03 . 2 1 . . B 343 LYS HG2 . 17485 1 572 . 2 2 52 52 LYS HG3 H 1 1.53 0.03 . 2 1 . . B 343 LYS HG3 . 17485 1 573 . 2 2 52 52 LYS HD3 H 1 1.68 0.03 . 2 1 . . B 343 LYS HD3 . 17485 1 574 . 2 2 52 52 LYS HE3 H 1 2.97 0.03 . 2 1 . . B 343 LYS HE3 . 17485 1 575 . 2 2 52 52 LYS C C 13 178.84 0.20 . 1 1 . . B 343 LYS C . 17485 1 576 . 2 2 52 52 LYS CA C 13 58.36 0.20 . 1 1 . . B 343 LYS CA . 17485 1 577 . 2 2 52 52 LYS CB C 13 32.67 0.20 . 1 1 . . B 343 LYS CB . 17485 1 578 . 2 2 52 52 LYS CG C 13 25.14 0.20 . 1 1 . . B 343 LYS CG . 17485 1 579 . 2 2 52 52 LYS CD C 13 29.26 0.20 . 1 1 . . B 343 LYS CD . 17485 1 580 . 2 2 52 52 LYS CE C 13 42.15 0.20 . 1 1 . . B 343 LYS CE . 17485 1 581 . 2 2 52 52 LYS N N 15 118.73 0.30 . 1 1 . . B 343 LYS N . 17485 1 582 . 2 2 53 53 GLU H H 1 8.00 0.03 . 1 1 . . B 344 GLU H . 17485 1 583 . 2 2 53 53 GLU HA H 1 4.14 0.03 . 1 1 . . B 344 GLU HA . 17485 1 584 . 2 2 53 53 GLU HB2 H 1 1.96 0.03 . 2 1 . . B 344 GLU HB2 . 17485 1 585 . 2 2 53 53 GLU HB3 H 1 2.07 0.03 . 2 1 . . B 344 GLU HB3 . 17485 1 586 . 2 2 53 53 GLU HG2 H 1 2.26 0.03 . 2 1 . . B 344 GLU HG2 . 17485 1 587 . 2 2 53 53 GLU HG3 H 1 2.38 0.03 . 2 1 . . B 344 GLU HG3 . 17485 1 588 . 2 2 53 53 GLU C C 13 177.19 0.20 . 1 1 . . B 344 GLU C . 17485 1 589 . 2 2 53 53 GLU CA C 13 57.74 0.20 . 1 1 . . B 344 GLU CA . 17485 1 590 . 2 2 53 53 GLU CB C 13 30.02 0.20 . 1 1 . . B 344 GLU CB . 17485 1 591 . 2 2 53 53 GLU CG C 13 36.55 0.20 . 1 1 . . B 344 GLU CG . 17485 1 592 . 2 2 53 53 GLU N N 15 118.84 0.30 . 1 1 . . B 344 GLU N . 17485 1 593 . 2 2 54 54 ALA H H 1 7.77 0.03 . 1 1 . . B 345 ALA H . 17485 1 594 . 2 2 54 54 ALA HA H 1 4.33 0.03 . 1 1 . . B 345 ALA HA . 17485 1 595 . 2 2 54 54 ALA HB1 H 1 1.43 0.03 . 1 1 . . B 345 ALA HB1 . 17485 1 596 . 2 2 54 54 ALA HB2 H 1 1.43 0.03 . 1 1 . . B 345 ALA HB2 . 17485 1 597 . 2 2 54 54 ALA HB3 H 1 1.43 0.03 . 1 1 . . B 345 ALA HB3 . 17485 1 598 . 2 2 54 54 ALA C C 13 178.87 0.20 . 1 1 . . B 345 ALA C . 17485 1 599 . 2 2 54 54 ALA CA C 13 53.07 0.20 . 1 1 . . B 345 ALA CA . 17485 1 600 . 2 2 54 54 ALA CB C 13 19.70 0.20 . 1 1 . . B 345 ALA CB . 17485 1 601 . 2 2 54 54 ALA N N 15 121.36 0.30 . 1 1 . . B 345 ALA N . 17485 1 602 . 2 2 55 55 GLY H H 1 8.01 0.03 . 1 1 . . B 346 GLY H . 17485 1 603 . 2 2 55 55 GLY HA2 H 1 3.92 0.03 . 2 1 . . B 346 GLY HA2 . 17485 1 604 . 2 2 55 55 GLY HA3 H 1 4.04 0.03 . 2 1 . . B 346 GLY HA3 . 17485 1 605 . 2 2 55 55 GLY C C 13 174.98 0.20 . 1 1 . . B 346 GLY C . 17485 1 606 . 2 2 55 55 GLY CA C 13 46.06 0.20 . 1 1 . . B 346 GLY CA . 17485 1 607 . 2 2 55 55 GLY N N 15 107.37 0.30 . 1 1 . . B 346 GLY N . 17485 1 608 . 2 2 56 56 GLY H H 1 8.25 0.03 . 1 1 . . B 347 GLY H . 17485 1 609 . 2 2 56 56 GLY HA2 H 1 3.90 0.03 . 2 1 . . B 347 GLY HA2 . 17485 1 610 . 2 2 56 56 GLY HA3 H 1 4.04 0.03 . 2 1 . . B 347 GLY HA3 . 17485 1 611 . 2 2 56 56 GLY C C 13 174.23 0.20 . 1 1 . . B 347 GLY C . 17485 1 612 . 2 2 56 56 GLY CA C 13 45.68 0.20 . 1 1 . . B 347 GLY CA . 17485 1 613 . 2 2 56 56 GLY N N 15 107.26 0.30 . 1 1 . . B 347 GLY N . 17485 1 614 . 2 2 57 57 ASN H H 1 8.08 0.03 . 1 1 . . B 348 ASN H . 17485 1 615 . 2 2 57 57 ASN HA H 1 4.75 0.03 . 1 1 . . B 348 ASN HA . 17485 1 616 . 2 2 57 57 ASN HB2 H 1 2.77 0.03 . 2 1 . . B 348 ASN HB2 . 17485 1 617 . 2 2 57 57 ASN HB3 H 1 2.86 0.03 . 2 1 . . B 348 ASN HB3 . 17485 1 618 . 2 2 57 57 ASN C C 13 174.21 0.20 . 1 1 . . B 348 ASN C . 17485 1 619 . 2 2 57 57 ASN CA C 13 53.49 0.20 . 1 1 . . B 348 ASN CA . 17485 1 620 . 2 2 57 57 ASN CB C 13 38.59 0.20 . 1 1 . . B 348 ASN CB . 17485 1 621 . 2 2 57 57 ASN N N 15 118.40 0.30 . 1 1 . . B 348 ASN N . 17485 1 622 . 2 2 58 58 TYR H H 1 7.90 0.03 . 1 1 . . B 349 TYR H . 17485 1 623 . 2 2 58 58 TYR HA H 1 4.51 0.03 . 1 1 . . B 349 TYR HA . 17485 1 624 . 2 2 58 58 TYR HB2 H 1 2.76 0.03 . 2 1 . . B 349 TYR HB2 . 17485 1 625 . 2 2 58 58 TYR HB3 H 1 2.95 0.03 . 2 1 . . B 349 TYR HB3 . 17485 1 626 . 2 2 58 58 TYR HD1 H 1 6.90 0.03 . 3 1 . . B 349 TYR HD1 . 17485 1 627 . 2 2 58 58 TYR HE1 H 1 6.79 0.03 . 3 1 . . B 349 TYR HE1 . 17485 1 628 . 2 2 58 58 TYR C C 13 174.72 0.20 . 1 1 . . B 349 TYR C . 17485 1 629 . 2 2 58 58 TYR CA C 13 58.33 0.20 . 1 1 . . B 349 TYR CA . 17485 1 630 . 2 2 58 58 TYR CB C 13 40.50 0.20 . 1 1 . . B 349 TYR CB . 17485 1 631 . 2 2 58 58 TYR N N 15 121.31 0.30 . 1 1 . . B 349 TYR N . 17485 1 632 . 2 2 59 59 THR H H 1 7.96 0.03 . 1 1 . . B 350 THR H . 17485 1 633 . 2 2 59 59 THR HA H 1 4.52 0.03 . 1 1 . . B 350 THR HA . 17485 1 634 . 2 2 59 59 THR HB H 1 3.85 0.03 . 1 1 . . B 350 THR HB . 17485 1 635 . 2 2 59 59 THR HG21 H 1 1.11 0.03 . 1 1 . . B 350 THR HG21 . 17485 1 636 . 2 2 59 59 THR HG22 H 1 1.11 0.03 . 1 1 . . B 350 THR HG22 . 17485 1 637 . 2 2 59 59 THR HG23 H 1 1.11 0.03 . 1 1 . . B 350 THR HG23 . 17485 1 638 . 2 2 59 59 THR CA C 13 59.19 0.20 . 1 1 . . B 350 THR CA . 17485 1 639 . 2 2 59 59 THR CB C 13 70.16 0.20 . 1 1 . . B 350 THR CB . 17485 1 640 . 2 2 59 59 THR CG2 C 13 21.27 0.20 . 1 1 . . B 350 THR CG2 . 17485 1 641 . 2 2 59 59 THR N N 15 123.93 0.30 . 1 1 . . B 350 THR N . 17485 1 642 . 2 2 60 60 PRO HA H 1 4.34 0.03 . 1 1 . . B 351 PRO HA . 17485 1 643 . 2 2 60 60 PRO HB2 H 1 1.86 0.03 . 2 1 . . B 351 PRO HB2 . 17485 1 644 . 2 2 60 60 PRO HB3 H 1 2.30 0.03 . 2 1 . . B 351 PRO HB3 . 17485 1 645 . 2 2 60 60 PRO HG2 H 1 1.93 0.03 . 2 1 . . B 351 PRO HG2 . 17485 1 646 . 2 2 60 60 PRO HG3 H 1 2.06 0.03 . 2 1 . . B 351 PRO HG3 . 17485 1 647 . 2 2 60 60 PRO HD2 H 1 3.67 0.03 . 2 1 . . B 351 PRO HD2 . 17485 1 648 . 2 2 60 60 PRO HD3 H 1 3.73 0.03 . 2 1 . . B 351 PRO HD3 . 17485 1 649 . 2 2 60 60 PRO C C 13 176.63 0.20 . 1 1 . . B 351 PRO C . 17485 1 650 . 2 2 60 60 PRO CA C 13 63.01 0.20 . 1 1 . . B 351 PRO CA . 17485 1 651 . 2 2 60 60 PRO CB C 13 32.84 0.20 . 1 1 . . B 351 PRO CB . 17485 1 652 . 2 2 60 60 PRO CG C 13 27.63 0.20 . 1 1 . . B 351 PRO CG . 17485 1 653 . 2 2 60 60 PRO CD C 13 51.22 0.20 . 1 1 . . B 351 PRO CD . 17485 1 654 . 2 2 61 61 ALA H H 1 8.82 0.03 . 1 1 . . B 352 ALA H . 17485 1 655 . 2 2 61 61 ALA HA H 1 4.26 0.03 . 1 1 . . B 352 ALA HA . 17485 1 656 . 2 2 61 61 ALA HB1 H 1 1.37 0.03 . 1 1 . . B 352 ALA HB1 . 17485 1 657 . 2 2 61 61 ALA HB2 H 1 1.37 0.03 . 1 1 . . B 352 ALA HB2 . 17485 1 658 . 2 2 61 61 ALA HB3 H 1 1.37 0.03 . 1 1 . . B 352 ALA HB3 . 17485 1 659 . 2 2 61 61 ALA C C 13 177.38 0.20 . 1 1 . . B 352 ALA C . 17485 1 660 . 2 2 61 61 ALA CA C 13 53.02 0.20 . 1 1 . . B 352 ALA CA . 17485 1 661 . 2 2 61 61 ALA CB C 13 19.57 0.20 . 1 1 . . B 352 ALA CB . 17485 1 662 . 2 2 61 61 ALA N N 15 124.52 0.30 . 1 1 . . B 352 ALA N . 17485 1 663 . 2 2 62 62 LEU H H 1 7.66 0.03 . 1 1 . . B 353 LEU H . 17485 1 664 . 2 2 62 62 LEU HA H 1 4.66 0.03 . 1 1 . . B 353 LEU HA . 17485 1 665 . 2 2 62 62 LEU HB2 H 1 1.54 0.03 . 2 1 . . B 353 LEU HB2 . 17485 1 666 . 2 2 62 62 LEU HB3 H 1 1.67 0.03 . 2 1 . . B 353 LEU HB3 . 17485 1 667 . 2 2 62 62 LEU HG H 1 1.67 0.03 . 1 1 . . B 353 LEU HG . 17485 1 668 . 2 2 62 62 LEU HD11 H 1 0.94 0.03 . 2 1 . . B 353 LEU HD11 . 17485 1 669 . 2 2 62 62 LEU HD12 H 1 0.94 0.03 . 2 1 . . B 353 LEU HD12 . 17485 1 670 . 2 2 62 62 LEU HD13 H 1 0.94 0.03 . 2 1 . . B 353 LEU HD13 . 17485 1 671 . 2 2 62 62 LEU HD21 H 1 0.92 0.03 . 2 1 . . B 353 LEU HD21 . 17485 1 672 . 2 2 62 62 LEU HD22 H 1 0.92 0.03 . 2 1 . . B 353 LEU HD22 . 17485 1 673 . 2 2 62 62 LEU HD23 H 1 0.92 0.03 . 2 1 . . B 353 LEU HD23 . 17485 1 674 . 2 2 62 62 LEU C C 13 175.73 0.20 . 1 1 . . B 353 LEU C . 17485 1 675 . 2 2 62 62 LEU CA C 13 54.85 0.20 . 1 1 . . B 353 LEU CA . 17485 1 676 . 2 2 62 62 LEU CB C 13 44.24 0.20 . 1 1 . . B 353 LEU CB . 17485 1 677 . 2 2 62 62 LEU CG C 13 27.45 0.20 . 1 1 . . B 353 LEU CG . 17485 1 678 . 2 2 62 62 LEU CD1 C 13 25.13 0.20 . 2 1 . . B 353 LEU CD1 . 17485 1 679 . 2 2 62 62 LEU CD2 C 13 26.14 0.20 . 2 1 . . B 353 LEU CD2 . 17485 1 680 . 2 2 62 62 LEU N N 15 119.15 0.30 . 1 1 . . B 353 LEU N . 17485 1 681 . 2 2 63 63 THR H H 1 8.06 0.03 . 1 1 . . B 354 THR H . 17485 1 682 . 2 2 63 63 THR HA H 1 4.72 0.03 . 1 1 . . B 354 THR HA . 17485 1 683 . 2 2 63 63 THR HB H 1 4.76 0.03 . 1 1 . . B 354 THR HB . 17485 1 684 . 2 2 63 63 THR HG21 H 1 1.32 0.03 . 1 1 . . B 354 THR HG21 . 17485 1 685 . 2 2 63 63 THR HG22 H 1 1.32 0.03 . 1 1 . . B 354 THR HG22 . 17485 1 686 . 2 2 63 63 THR HG23 H 1 1.32 0.03 . 1 1 . . B 354 THR HG23 . 17485 1 687 . 2 2 63 63 THR C C 13 175.60 0.20 . 1 1 . . B 354 THR C . 17485 1 688 . 2 2 63 63 THR CA C 13 60.57 0.20 . 1 1 . . B 354 THR CA . 17485 1 689 . 2 2 63 63 THR CB C 13 71.96 0.20 . 1 1 . . B 354 THR CB . 17485 1 690 . 2 2 63 63 THR CG2 C 13 22.02 0.20 . 1 1 . . B 354 THR CG2 . 17485 1 691 . 2 2 63 63 THR N N 15 114.23 0.30 . 1 1 . . B 354 THR N . 17485 1 692 . 2 2 64 64 GLU H H 1 9.27 0.03 . 1 1 . . B 355 GLU H . 17485 1 693 . 2 2 64 64 GLU HA H 1 3.59 0.03 . 1 1 . . B 355 GLU HA . 17485 1 694 . 2 2 64 64 GLU HB2 H 1 1.81 0.03 . 2 1 . . B 355 GLU HB2 . 17485 1 695 . 2 2 64 64 GLU HB3 H 1 1.99 0.03 . 2 1 . . B 355 GLU HB3 . 17485 1 696 . 2 2 64 64 GLU HG2 H 1 2.10 0.03 . 2 1 . . B 355 GLU HG2 . 17485 1 697 . 2 2 64 64 GLU HG3 H 1 2.26 0.03 . 2 1 . . B 355 GLU HG3 . 17485 1 698 . 2 2 64 64 GLU C C 13 178.13 0.20 . 1 1 . . B 355 GLU C . 17485 1 699 . 2 2 64 64 GLU CA C 13 61.29 0.20 . 1 1 . . B 355 GLU CA . 17485 1 700 . 2 2 64 64 GLU CB C 13 28.74 0.20 . 1 1 . . B 355 GLU CB . 17485 1 701 . 2 2 64 64 GLU CG C 13 37.61 0.20 . 1 1 . . B 355 GLU CG . 17485 1 702 . 2 2 64 64 GLU N N 15 120.28 0.30 . 1 1 . . B 355 GLU N . 17485 1 703 . 2 2 65 65 GLN H H 1 8.32 0.03 . 1 1 . . B 356 GLN H . 17485 1 704 . 2 2 65 65 GLN HA H 1 4.08 0.03 . 1 1 . . B 356 GLN HA . 17485 1 705 . 2 2 65 65 GLN HB2 H 1 2.08 0.03 . 2 1 . . B 356 GLN HB2 . 17485 1 706 . 2 2 65 65 GLN HB3 H 1 2.14 0.03 . 2 1 . . B 356 GLN HB3 . 17485 1 707 . 2 2 65 65 GLN HG2 H 1 2.47 0.03 . 2 1 . . B 356 GLN HG2 . 17485 1 708 . 2 2 65 65 GLN HG3 H 1 2.51 0.03 . 2 1 . . B 356 GLN HG3 . 17485 1 709 . 2 2 65 65 GLN C C 13 178.81 0.20 . 1 1 . . B 356 GLN C . 17485 1 710 . 2 2 65 65 GLN CA C 13 59.51 0.20 . 1 1 . . B 356 GLN CA . 17485 1 711 . 2 2 65 65 GLN CB C 13 28.14 0.20 . 1 1 . . B 356 GLN CB . 17485 1 712 . 2 2 65 65 GLN CG C 13 34.44 0.20 . 1 1 . . B 356 GLN CG . 17485 1 713 . 2 2 65 65 GLN N N 15 117.24 0.30 . 1 1 . . B 356 GLN N . 17485 1 714 . 2 2 66 66 GLU H H 1 7.70 0.03 . 1 1 . . B 357 GLU H . 17485 1 715 . 2 2 66 66 GLU HA H 1 4.23 0.03 . 1 1 . . B 357 GLU HA . 17485 1 716 . 2 2 66 66 GLU HB2 H 1 2.09 0.03 . 2 1 . . B 357 GLU HB2 . 17485 1 717 . 2 2 66 66 GLU HB3 H 1 2.31 0.03 . 2 1 . . B 357 GLU HB3 . 17485 1 718 . 2 2 66 66 GLU HG3 H 1 2.35 0.03 . 2 1 . . B 357 GLU HG3 . 17485 1 719 . 2 2 66 66 GLU C C 13 179.06 0.20 . 1 1 . . B 357 GLU C . 17485 1 720 . 2 2 66 66 GLU CA C 13 59.07 0.20 . 1 1 . . B 357 GLU CA . 17485 1 721 . 2 2 66 66 GLU CB C 13 30.02 0.20 . 1 1 . . B 357 GLU CB . 17485 1 722 . 2 2 66 66 GLU CG C 13 36.97 0.20 . 1 1 . . B 357 GLU CG . 17485 1 723 . 2 2 66 66 GLU N N 15 121.53 0.30 . 1 1 . . B 357 GLU N . 17485 1 724 . 2 2 67 67 VAL H H 1 8.17 0.03 . 1 1 . . B 358 VAL H . 17485 1 725 . 2 2 67 67 VAL HA H 1 3.41 0.03 . 1 1 . . B 358 VAL HA . 17485 1 726 . 2 2 67 67 VAL HB H 1 2.22 0.03 . 1 1 . . B 358 VAL HB . 17485 1 727 . 2 2 67 67 VAL HG11 H 1 0.96 0.03 . 2 1 . . B 358 VAL HG11 . 17485 1 728 . 2 2 67 67 VAL HG12 H 1 0.96 0.03 . 2 1 . . B 358 VAL HG12 . 17485 1 729 . 2 2 67 67 VAL HG13 H 1 0.96 0.03 . 2 1 . . B 358 VAL HG13 . 17485 1 730 . 2 2 67 67 VAL HG21 H 1 0.82 0.03 . 2 1 . . B 358 VAL HG21 . 17485 1 731 . 2 2 67 67 VAL HG22 H 1 0.82 0.03 . 2 1 . . B 358 VAL HG22 . 17485 1 732 . 2 2 67 67 VAL HG23 H 1 0.82 0.03 . 2 1 . . B 358 VAL HG23 . 17485 1 733 . 2 2 67 67 VAL C C 13 177.42 0.20 . 1 1 . . B 358 VAL C . 17485 1 734 . 2 2 67 67 VAL CA C 13 67.30 0.20 . 1 1 . . B 358 VAL CA . 17485 1 735 . 2 2 67 67 VAL CB C 13 31.14 0.20 . 1 1 . . B 358 VAL CB . 17485 1 736 . 2 2 67 67 VAL CG1 C 13 23.77 0.20 . 2 1 . . B 358 VAL CG1 . 17485 1 737 . 2 2 67 67 VAL CG2 C 13 21.52 0.20 . 2 1 . . B 358 VAL CG2 . 17485 1 738 . 2 2 67 67 VAL N N 15 120.76 0.30 . 1 1 . . B 358 VAL N . 17485 1 739 . 2 2 68 68 TYR H H 1 8.17 0.03 . 1 1 . . B 359 TYR H . 17485 1 740 . 2 2 68 68 TYR HA H 1 3.81 0.03 . 1 1 . . B 359 TYR HA . 17485 1 741 . 2 2 68 68 TYR HB2 H 1 2.98 0.03 . 2 1 . . B 359 TYR HB2 . 17485 1 742 . 2 2 68 68 TYR HB3 H 1 3.26 0.03 . 2 1 . . B 359 TYR HB3 . 17485 1 743 . 2 2 68 68 TYR HD1 H 1 7.05 0.03 . 3 1 . . B 359 TYR HD1 . 17485 1 744 . 2 2 68 68 TYR HE1 H 1 6.82 0.03 . 3 1 . . B 359 TYR HE1 . 17485 1 745 . 2 2 68 68 TYR C C 13 176.48 0.20 . 1 1 . . B 359 TYR C . 17485 1 746 . 2 2 68 68 TYR CA C 13 62.76 0.20 . 1 1 . . B 359 TYR CA . 17485 1 747 . 2 2 68 68 TYR CB C 13 38.33 0.20 . 1 1 . . B 359 TYR CB . 17485 1 748 . 2 2 68 68 TYR N N 15 118.70 0.30 . 1 1 . . B 359 TYR N . 17485 1 749 . 2 2 69 69 ALA H H 1 8.00 0.03 . 1 1 . . B 360 ALA H . 17485 1 750 . 2 2 69 69 ALA HA H 1 4.01 0.03 . 1 1 . . B 360 ALA HA . 17485 1 751 . 2 2 69 69 ALA HB1 H 1 1.54 0.03 . 1 1 . . B 360 ALA HB1 . 17485 1 752 . 2 2 69 69 ALA HB2 H 1 1.54 0.03 . 1 1 . . B 360 ALA HB2 . 17485 1 753 . 2 2 69 69 ALA HB3 H 1 1.54 0.03 . 1 1 . . B 360 ALA HB3 . 17485 1 754 . 2 2 69 69 ALA C C 13 181.01 0.20 . 1 1 . . B 360 ALA C . 17485 1 755 . 2 2 69 69 ALA CA C 13 55.27 0.20 . 1 1 . . B 360 ALA CA . 17485 1 756 . 2 2 69 69 ALA CB C 13 18.35 0.20 . 1 1 . . B 360 ALA CB . 17485 1 757 . 2 2 69 69 ALA N N 15 119.40 0.30 . 1 1 . . B 360 ALA N . 17485 1 758 . 2 2 70 70 GLN H H 1 8.09 0.03 . 1 1 . . B 361 GLN H . 17485 1 759 . 2 2 70 70 GLN HA H 1 3.95 0.03 . 1 1 . . B 361 GLN HA . 17485 1 760 . 2 2 70 70 GLN HB2 H 1 2.03 0.03 . 2 1 . . B 361 GLN HB2 . 17485 1 761 . 2 2 70 70 GLN HB3 H 1 2.24 0.03 . 2 1 . . B 361 GLN HB3 . 17485 1 762 . 2 2 70 70 GLN HG2 H 1 2.32 0.03 . 2 1 . . B 361 GLN HG2 . 17485 1 763 . 2 2 70 70 GLN HG3 H 1 2.70 0.03 . 2 1 . . B 361 GLN HG3 . 17485 1 764 . 2 2 70 70 GLN HE21 H 1 6.50 0.03 . 2 1 . . B 361 GLN HE21 . 17485 1 765 . 2 2 70 70 GLN HE22 H 1 7.46 0.03 . 2 1 . . B 361 GLN HE22 . 17485 1 766 . 2 2 70 70 GLN C C 13 179.59 0.20 . 1 1 . . B 361 GLN C . 17485 1 767 . 2 2 70 70 GLN CA C 13 59.48 0.20 . 1 1 . . B 361 GLN CA . 17485 1 768 . 2 2 70 70 GLN CB C 13 28.85 0.20 . 1 1 . . B 361 GLN CB . 17485 1 769 . 2 2 70 70 GLN CG C 13 34.47 0.20 . 1 1 . . B 361 GLN CG . 17485 1 770 . 2 2 70 70 GLN N N 15 117.27 0.30 . 1 1 . . B 361 GLN N . 17485 1 771 . 2 2 70 70 GLN NE2 N 15 109.61 0.30 . 1 1 . . B 361 GLN NE2 . 17485 1 772 . 2 2 71 71 VAL H H 1 8.35 0.03 . 1 1 . . B 362 VAL H . 17485 1 773 . 2 2 71 71 VAL HA H 1 2.93 0.03 . 1 1 . . B 362 VAL HA . 17485 1 774 . 2 2 71 71 VAL HB H 1 1.37 0.03 . 1 1 . . B 362 VAL HB . 17485 1 775 . 2 2 71 71 VAL HG11 H 1 0.52 0.03 . 2 1 . . B 362 VAL HG11 . 17485 1 776 . 2 2 71 71 VAL HG12 H 1 0.52 0.03 . 2 1 . . B 362 VAL HG12 . 17485 1 777 . 2 2 71 71 VAL HG13 H 1 0.52 0.03 . 2 1 . . B 362 VAL HG13 . 17485 1 778 . 2 2 71 71 VAL HG21 H 1 -0.40 0.03 . 2 1 . . B 362 VAL HG21 . 17485 1 779 . 2 2 71 71 VAL HG22 H 1 -0.40 0.03 . 2 1 . . B 362 VAL HG22 . 17485 1 780 . 2 2 71 71 VAL HG23 H 1 -0.40 0.03 . 2 1 . . B 362 VAL HG23 . 17485 1 781 . 2 2 71 71 VAL C C 13 176.65 0.20 . 1 1 . . B 362 VAL C . 17485 1 782 . 2 2 71 71 VAL CA C 13 66.90 0.20 . 1 1 . . B 362 VAL CA . 17485 1 783 . 2 2 71 71 VAL CB C 13 31.08 0.20 . 1 1 . . B 362 VAL CB . 17485 1 784 . 2 2 71 71 VAL CG1 C 13 23.45 0.20 . 2 1 . . B 362 VAL CG1 . 17485 1 785 . 2 2 71 71 VAL CG2 C 13 21.11 0.20 . 2 1 . . B 362 VAL CG2 . 17485 1 786 . 2 2 71 71 VAL N N 15 123.02 0.30 . 1 1 . . B 362 VAL N . 17485 1 787 . 2 2 72 72 ALA H H 1 8.70 0.03 . 1 1 . . B 363 ALA H . 17485 1 788 . 2 2 72 72 ALA HA H 1 3.77 0.03 . 1 1 . . B 363 ALA HA . 17485 1 789 . 2 2 72 72 ALA HB1 H 1 1.21 0.03 . 1 1 . . B 363 ALA HB1 . 17485 1 790 . 2 2 72 72 ALA HB2 H 1 1.21 0.03 . 1 1 . . B 363 ALA HB2 . 17485 1 791 . 2 2 72 72 ALA HB3 H 1 1.21 0.03 . 1 1 . . B 363 ALA HB3 . 17485 1 792 . 2 2 72 72 ALA C C 13 180.06 0.20 . 1 1 . . B 363 ALA C . 17485 1 793 . 2 2 72 72 ALA CA C 13 55.34 0.20 . 1 1 . . B 363 ALA CA . 17485 1 794 . 2 2 72 72 ALA CB C 13 17.69 0.20 . 1 1 . . B 363 ALA CB . 17485 1 795 . 2 2 72 72 ALA N N 15 121.66 0.30 . 1 1 . . B 363 ALA N . 17485 1 796 . 2 2 73 73 ARG H H 1 7.11 0.03 . 1 1 . . B 364 ARG H . 17485 1 797 . 2 2 73 73 ARG HA H 1 4.04 0.03 . 1 1 . . B 364 ARG HA . 17485 1 798 . 2 2 73 73 ARG HB3 H 1 1.85 0.03 . 2 1 . . B 364 ARG HB3 . 17485 1 799 . 2 2 73 73 ARG HG2 H 1 1.57 0.03 . 2 1 . . B 364 ARG HG2 . 17485 1 800 . 2 2 73 73 ARG HG3 H 1 1.80 0.03 . 2 1 . . B 364 ARG HG3 . 17485 1 801 . 2 2 73 73 ARG HD3 H 1 3.21 0.03 . 2 1 . . B 364 ARG HD3 . 17485 1 802 . 2 2 73 73 ARG C C 13 179.07 0.20 . 1 1 . . B 364 ARG C . 17485 1 803 . 2 2 73 73 ARG CA C 13 59.10 0.20 . 1 1 . . B 364 ARG CA . 17485 1 804 . 2 2 73 73 ARG CB C 13 30.40 0.20 . 1 1 . . B 364 ARG CB . 17485 1 805 . 2 2 73 73 ARG CG C 13 27.98 0.20 . 1 1 . . B 364 ARG CG . 17485 1 806 . 2 2 73 73 ARG CD C 13 43.70 0.20 . 1 1 . . B 364 ARG CD . 17485 1 807 . 2 2 73 73 ARG N N 15 115.42 0.30 . 1 1 . . B 364 ARG N . 17485 1 808 . 2 2 74 74 LEU H H 1 7.42 0.03 . 1 1 . . B 365 LEU H . 17485 1 809 . 2 2 74 74 LEU HA H 1 4.02 0.03 . 1 1 . . B 365 LEU HA . 17485 1 810 . 2 2 74 74 LEU HB2 H 1 1.31 0.03 . 2 1 . . B 365 LEU HB2 . 17485 1 811 . 2 2 74 74 LEU HB3 H 1 1.48 0.03 . 2 1 . . B 365 LEU HB3 . 17485 1 812 . 2 2 74 74 LEU HG H 1 1.62 0.03 . 1 1 . . B 365 LEU HG . 17485 1 813 . 2 2 74 74 LEU HD11 H 1 0.80 0.03 . 2 1 . . B 365 LEU HD11 . 17485 1 814 . 2 2 74 74 LEU HD12 H 1 0.80 0.03 . 2 1 . . B 365 LEU HD12 . 17485 1 815 . 2 2 74 74 LEU HD13 H 1 0.80 0.03 . 2 1 . . B 365 LEU HD13 . 17485 1 816 . 2 2 74 74 LEU HD21 H 1 0.74 0.03 . 2 1 . . B 365 LEU HD21 . 17485 1 817 . 2 2 74 74 LEU HD22 H 1 0.74 0.03 . 2 1 . . B 365 LEU HD22 . 17485 1 818 . 2 2 74 74 LEU HD23 H 1 0.74 0.03 . 2 1 . . B 365 LEU HD23 . 17485 1 819 . 2 2 74 74 LEU C C 13 178.70 0.20 . 1 1 . . B 365 LEU C . 17485 1 820 . 2 2 74 74 LEU CA C 13 57.38 0.20 . 1 1 . . B 365 LEU CA . 17485 1 821 . 2 2 74 74 LEU CB C 13 42.42 0.20 . 1 1 . . B 365 LEU CB . 17485 1 822 . 2 2 74 74 LEU CG C 13 26.40 0.20 . 1 1 . . B 365 LEU CG . 17485 1 823 . 2 2 74 74 LEU CD1 C 13 25.19 0.20 . 2 1 . . B 365 LEU CD1 . 17485 1 824 . 2 2 74 74 LEU CD2 C 13 24.16 0.20 . 2 1 . . B 365 LEU CD2 . 17485 1 825 . 2 2 74 74 LEU N N 15 120.52 0.30 . 1 1 . . B 365 LEU N . 17485 1 826 . 2 2 75 75 PHE H H 1 8.28 0.03 . 1 1 . . B 366 PHE H . 17485 1 827 . 2 2 75 75 PHE HA H 1 4.98 0.03 . 1 1 . . B 366 PHE HA . 17485 1 828 . 2 2 75 75 PHE HB2 H 1 2.92 0.03 . 2 1 . . B 366 PHE HB2 . 17485 1 829 . 2 2 75 75 PHE HB3 H 1 3.77 0.03 . 2 1 . . B 366 PHE HB3 . 17485 1 830 . 2 2 75 75 PHE HD2 H 1 6.64 0.03 . 3 1 . . B 366 PHE HD2 . 17485 1 831 . 2 2 75 75 PHE HE2 H 1 6.81 0.03 . 3 1 . . B 366 PHE HE2 . 17485 1 832 . 2 2 75 75 PHE HZ H 1 6.19 0.03 . 1 1 . . B 366 PHE HZ . 17485 1 833 . 2 2 75 75 PHE C C 13 175.59 0.20 . 1 1 . . B 366 PHE C . 17485 1 834 . 2 2 75 75 PHE CA C 13 53.08 0.20 . 1 1 . . B 366 PHE CA . 17485 1 835 . 2 2 75 75 PHE CB C 13 36.69 0.20 . 1 1 . . B 366 PHE CB . 17485 1 836 . 2 2 75 75 PHE N N 15 115.20 0.30 . 1 1 . . B 366 PHE N . 17485 1 837 . 2 2 76 76 LYS H H 1 7.01 0.03 . 1 1 . . B 367 LYS H . 17485 1 838 . 2 2 76 76 LYS HA H 1 4.04 0.03 . 1 1 . . B 367 LYS HA . 17485 1 839 . 2 2 76 76 LYS HB2 H 1 1.89 0.03 . 2 1 . . B 367 LYS HB2 . 17485 1 840 . 2 2 76 76 LYS HB3 H 1 2.03 0.03 . 2 1 . . B 367 LYS HB3 . 17485 1 841 . 2 2 76 76 LYS HG3 H 1 1.48 0.03 . 2 1 . . B 367 LYS HG3 . 17485 1 842 . 2 2 76 76 LYS HD3 H 1 1.77 0.03 . 2 1 . . B 367 LYS HD3 . 17485 1 843 . 2 2 76 76 LYS HE3 H 1 3.05 0.03 . 2 1 . . B 367 LYS HE3 . 17485 1 844 . 2 2 76 76 LYS C C 13 177.03 0.20 . 1 1 . . B 367 LYS C . 17485 1 845 . 2 2 76 76 LYS CA C 13 59.23 0.20 . 1 1 . . B 367 LYS CA . 17485 1 846 . 2 2 76 76 LYS CB C 13 32.41 0.20 . 1 1 . . B 367 LYS CB . 17485 1 847 . 2 2 76 76 LYS CG C 13 24.41 0.20 . 1 1 . . B 367 LYS CG . 17485 1 848 . 2 2 76 76 LYS CD C 13 29.59 0.20 . 1 1 . . B 367 LYS CD . 17485 1 849 . 2 2 76 76 LYS CE C 13 42.13 0.20 . 1 1 . . B 367 LYS CE . 17485 1 850 . 2 2 76 76 LYS N N 15 120.86 0.30 . 1 1 . . B 367 LYS N . 17485 1 851 . 2 2 77 77 ASN H H 1 8.88 0.03 . 1 1 . . B 368 ASN H . 17485 1 852 . 2 2 77 77 ASN HA H 1 4.83 0.03 . 1 1 . . B 368 ASN HA . 17485 1 853 . 2 2 77 77 ASN HB2 H 1 2.97 0.03 . 2 1 . . B 368 ASN HB2 . 17485 1 854 . 2 2 77 77 ASN HB3 H 1 3.12 0.03 . 2 1 . . B 368 ASN HB3 . 17485 1 855 . 2 2 77 77 ASN C C 13 174.39 0.20 . 1 1 . . B 368 ASN C . 17485 1 856 . 2 2 77 77 ASN CA C 13 54.51 0.20 . 1 1 . . B 368 ASN CA . 17485 1 857 . 2 2 77 77 ASN CB C 13 38.56 0.20 . 1 1 . . B 368 ASN CB . 17485 1 858 . 2 2 77 77 ASN N N 15 115.97 0.30 . 1 1 . . B 368 ASN N . 17485 1 859 . 2 2 78 78 GLN H H 1 8.08 0.03 . 1 1 . . B 369 GLN H . 17485 1 860 . 2 2 78 78 GLN HA H 1 4.82 0.03 . 1 1 . . B 369 GLN HA . 17485 1 861 . 2 2 78 78 GLN HB2 H 1 1.80 0.03 . 2 1 . . B 369 GLN HB2 . 17485 1 862 . 2 2 78 78 GLN HB3 H 1 1.88 0.03 . 2 1 . . B 369 GLN HB3 . 17485 1 863 . 2 2 78 78 GLN HG2 H 1 2.27 0.03 . 2 1 . . B 369 GLN HG2 . 17485 1 864 . 2 2 78 78 GLN HG3 H 1 2.43 0.03 . 2 1 . . B 369 GLN HG3 . 17485 1 865 . 2 2 78 78 GLN C C 13 175.88 0.20 . 1 1 . . B 369 GLN C . 17485 1 866 . 2 2 78 78 GLN CA C 13 52.76 0.20 . 1 1 . . B 369 GLN CA . 17485 1 867 . 2 2 78 78 GLN CB C 13 27.15 0.20 . 1 1 . . B 369 GLN CB . 17485 1 868 . 2 2 78 78 GLN CG C 13 31.68 0.20 . 1 1 . . B 369 GLN CG . 17485 1 869 . 2 2 78 78 GLN N N 15 120.06 0.30 . 1 1 . . B 369 GLN N . 17485 1 870 . 2 2 79 79 GLU H H 1 8.75 0.03 . 1 1 . . B 370 GLU H . 17485 1 871 . 2 2 79 79 GLU HA H 1 3.99 0.03 . 1 1 . . B 370 GLU HA . 17485 1 872 . 2 2 79 79 GLU HB3 H 1 2.12 0.03 . 2 1 . . B 370 GLU HB3 . 17485 1 873 . 2 2 79 79 GLU HG3 H 1 2.42 0.03 . 2 1 . . B 370 GLU HG3 . 17485 1 874 . 2 2 79 79 GLU C C 13 178.43 0.20 . 1 1 . . B 370 GLU C . 17485 1 875 . 2 2 79 79 GLU CA C 13 60.87 0.20 . 1 1 . . B 370 GLU CA . 17485 1 876 . 2 2 79 79 GLU CB C 13 29.55 0.20 . 1 1 . . B 370 GLU CB . 17485 1 877 . 2 2 79 79 GLU CG C 13 36.68 0.20 . 1 1 . . B 370 GLU CG . 17485 1 878 . 2 2 79 79 GLU N N 15 122.15 0.30 . 1 1 . . B 370 GLU N . 17485 1 879 . 2 2 80 80 ASP H H 1 8.96 0.03 . 1 1 . . B 371 ASP H . 17485 1 880 . 2 2 80 80 ASP HA H 1 4.42 0.03 . 1 1 . . B 371 ASP HA . 17485 1 881 . 2 2 80 80 ASP HB2 H 1 2.69 0.03 . 2 1 . . B 371 ASP HB2 . 17485 1 882 . 2 2 80 80 ASP HB3 H 1 2.89 0.03 . 2 1 . . B 371 ASP HB3 . 17485 1 883 . 2 2 80 80 ASP C C 13 179.17 0.20 . 1 1 . . B 371 ASP C . 17485 1 884 . 2 2 80 80 ASP CA C 13 56.54 0.20 . 1 1 . . B 371 ASP CA . 17485 1 885 . 2 2 80 80 ASP CB C 13 38.43 0.20 . 1 1 . . B 371 ASP CB . 17485 1 886 . 2 2 80 80 ASP N N 15 118.50 0.30 . 1 1 . . B 371 ASP N . 17485 1 887 . 2 2 81 81 LEU H H 1 7.73 0.03 . 1 1 . . B 372 LEU H . 17485 1 888 . 2 2 81 81 LEU HA H 1 4.38 0.03 . 1 1 . . B 372 LEU HA . 17485 1 889 . 2 2 81 81 LEU HB2 H 1 0.98 0.03 . 2 1 . . B 372 LEU HB2 . 17485 1 890 . 2 2 81 81 LEU HB3 H 1 1.63 0.03 . 2 1 . . B 372 LEU HB3 . 17485 1 891 . 2 2 81 81 LEU HG H 1 1.56 0.03 . 1 1 . . B 372 LEU HG . 17485 1 892 . 2 2 81 81 LEU HD11 H 1 0.53 0.03 . 2 1 . . B 372 LEU HD11 . 17485 1 893 . 2 2 81 81 LEU HD12 H 1 0.53 0.03 . 2 1 . . B 372 LEU HD12 . 17485 1 894 . 2 2 81 81 LEU HD13 H 1 0.53 0.03 . 2 1 . . B 372 LEU HD13 . 17485 1 895 . 2 2 81 81 LEU HD21 H 1 0.22 0.03 . 2 1 . . B 372 LEU HD21 . 17485 1 896 . 2 2 81 81 LEU HD22 H 1 0.22 0.03 . 2 1 . . B 372 LEU HD22 . 17485 1 897 . 2 2 81 81 LEU HD23 H 1 0.22 0.03 . 2 1 . . B 372 LEU HD23 . 17485 1 898 . 2 2 81 81 LEU C C 13 181.07 0.20 . 1 1 . . B 372 LEU C . 17485 1 899 . 2 2 81 81 LEU CA C 13 57.23 0.20 . 1 1 . . B 372 LEU CA . 17485 1 900 . 2 2 81 81 LEU CB C 13 41.65 0.20 . 1 1 . . B 372 LEU CB . 17485 1 901 . 2 2 81 81 LEU CG C 13 26.58 0.20 . 1 1 . . B 372 LEU CG . 17485 1 902 . 2 2 81 81 LEU CD1 C 13 22.34 0.20 . 2 1 . . B 372 LEU CD1 . 17485 1 903 . 2 2 81 81 LEU CD2 C 13 26.53 0.20 . 2 1 . . B 372 LEU CD2 . 17485 1 904 . 2 2 81 81 LEU N N 15 121.05 0.30 . 1 1 . . B 372 LEU N . 17485 1 905 . 2 2 82 82 LEU H H 1 8.17 0.03 . 1 1 . . B 373 LEU H . 17485 1 906 . 2 2 82 82 LEU HA H 1 4.44 0.03 . 1 1 . . B 373 LEU HA . 17485 1 907 . 2 2 82 82 LEU HB2 H 1 1.71 0.03 . 2 1 . . B 373 LEU HB2 . 17485 1 908 . 2 2 82 82 LEU HB3 H 1 2.14 0.03 . 2 1 . . B 373 LEU HB3 . 17485 1 909 . 2 2 82 82 LEU HG H 1 1.87 0.03 . 1 1 . . B 373 LEU HG . 17485 1 910 . 2 2 82 82 LEU HD11 H 1 0.98 0.03 . 2 1 . . B 373 LEU HD11 . 17485 1 911 . 2 2 82 82 LEU HD12 H 1 0.98 0.03 . 2 1 . . B 373 LEU HD12 . 17485 1 912 . 2 2 82 82 LEU HD13 H 1 0.98 0.03 . 2 1 . . B 373 LEU HD13 . 17485 1 913 . 2 2 82 82 LEU HD21 H 1 0.84 0.03 . 2 1 . . B 373 LEU HD21 . 17485 1 914 . 2 2 82 82 LEU HD22 H 1 0.84 0.03 . 2 1 . . B 373 LEU HD22 . 17485 1 915 . 2 2 82 82 LEU HD23 H 1 0.84 0.03 . 2 1 . . B 373 LEU HD23 . 17485 1 916 . 2 2 82 82 LEU C C 13 178.83 0.20 . 1 1 . . B 373 LEU C . 17485 1 917 . 2 2 82 82 LEU CA C 13 58.08 0.20 . 1 1 . . B 373 LEU CA . 17485 1 918 . 2 2 82 82 LEU CB C 13 41.81 0.20 . 1 1 . . B 373 LEU CB . 17485 1 919 . 2 2 82 82 LEU CG C 13 27.40 0.20 . 1 1 . . B 373 LEU CG . 17485 1 920 . 2 2 82 82 LEU CD1 C 13 25.37 0.20 . 2 1 . . B 373 LEU CD1 . 17485 1 921 . 2 2 82 82 LEU CD2 C 13 23.62 0.20 . 2 1 . . B 373 LEU CD2 . 17485 1 922 . 2 2 82 82 LEU N N 15 122.51 0.30 . 1 1 . . B 373 LEU N . 17485 1 923 . 2 2 83 83 SER H H 1 8.62 0.03 . 1 1 . . B 374 SER H . 17485 1 924 . 2 2 83 83 SER HA H 1 4.33 0.03 . 1 1 . . B 374 SER HA . 17485 1 925 . 2 2 83 83 SER HB3 H 1 4.08 0.03 . 2 1 . . B 374 SER HB3 . 17485 1 926 . 2 2 83 83 SER C C 13 177.99 0.20 . 1 1 . . B 374 SER C . 17485 1 927 . 2 2 83 83 SER CA C 13 61.94 0.20 . 1 1 . . B 374 SER CA . 17485 1 928 . 2 2 83 83 SER CB C 13 62.79 0.20 . 1 1 . . B 374 SER CB . 17485 1 929 . 2 2 83 83 SER N N 15 116.31 0.30 . 1 1 . . B 374 SER N . 17485 1 930 . 2 2 84 84 GLU H H 1 7.84 0.03 . 1 1 . . B 375 GLU H . 17485 1 931 . 2 2 84 84 GLU HA H 1 4.12 0.03 . 1 1 . . B 375 GLU HA . 17485 1 932 . 2 2 84 84 GLU HB2 H 1 2.04 0.03 . 2 1 . . B 375 GLU HB2 . 17485 1 933 . 2 2 84 84 GLU HB3 H 1 2.16 0.03 . 2 1 . . B 375 GLU HB3 . 17485 1 934 . 2 2 84 84 GLU HG3 H 1 2.42 0.03 . 2 1 . . B 375 GLU HG3 . 17485 1 935 . 2 2 84 84 GLU C C 13 177.94 0.20 . 1 1 . . B 375 GLU C . 17485 1 936 . 2 2 84 84 GLU CA C 13 59.22 0.20 . 1 1 . . B 375 GLU CA . 17485 1 937 . 2 2 84 84 GLU CB C 13 30.06 0.20 . 1 1 . . B 375 GLU CB . 17485 1 938 . 2 2 84 84 GLU CG C 13 36.84 0.20 . 1 1 . . B 375 GLU CG . 17485 1 939 . 2 2 84 84 GLU N N 15 120.88 0.30 . 1 1 . . B 375 GLU N . 17485 1 940 . 2 2 85 85 PHE H H 1 7.93 0.03 . 1 1 . . B 376 PHE H . 17485 1 941 . 2 2 85 85 PHE HA H 1 4.24 0.03 . 1 1 . . B 376 PHE HA . 17485 1 942 . 2 2 85 85 PHE HB2 H 1 3.40 0.03 . 2 1 . . B 376 PHE HB2 . 17485 1 943 . 2 2 85 85 PHE HB3 H 1 4.09 0.03 . 2 1 . . B 376 PHE HB3 . 17485 1 944 . 2 2 85 85 PHE HD1 H 1 7.44 0.03 . 3 1 . . B 376 PHE HD1 . 17485 1 945 . 2 2 85 85 PHE HE1 H 1 7.20 0.03 . 3 1 . . B 376 PHE HE1 . 17485 1 946 . 2 2 85 85 PHE HZ H 1 6.82 0.03 . 1 1 . . B 376 PHE HZ . 17485 1 947 . 2 2 85 85 PHE C C 13 177.74 0.20 . 1 1 . . B 376 PHE C . 17485 1 948 . 2 2 85 85 PHE CA C 13 62.21 0.20 . 1 1 . . B 376 PHE CA . 17485 1 949 . 2 2 85 85 PHE CB C 13 39.10 0.20 . 1 1 . . B 376 PHE CB . 17485 1 950 . 2 2 85 85 PHE N N 15 120.35 0.30 . 1 1 . . B 376 PHE N . 17485 1 951 . 2 2 86 86 GLY H H 1 7.81 0.03 . 1 1 . . B 377 GLY H . 17485 1 952 . 2 2 86 86 GLY HA2 H 1 3.90 0.03 . 2 1 . . B 377 GLY HA2 . 17485 1 953 . 2 2 86 86 GLY HA3 H 1 4.10 0.03 . 2 1 . . B 377 GLY HA3 . 17485 1 954 . 2 2 86 86 GLY C C 13 175.45 0.20 . 1 1 . . B 377 GLY C . 17485 1 955 . 2 2 86 86 GLY CA C 13 46.75 0.20 . 1 1 . . B 377 GLY CA . 17485 1 956 . 2 2 86 86 GLY N N 15 101.95 0.30 . 1 1 . . B 377 GLY N . 17485 1 957 . 2 2 87 87 GLN H H 1 7.48 0.03 . 1 1 . . B 378 GLN H . 17485 1 958 . 2 2 87 87 GLN HA H 1 3.98 0.03 . 1 1 . . B 378 GLN HA . 17485 1 959 . 2 2 87 87 GLN HB2 H 1 1.73 0.03 . 2 1 . . B 378 GLN HB2 . 17485 1 960 . 2 2 87 87 GLN HB3 H 1 1.78 0.03 . 2 1 . . B 378 GLN HB3 . 17485 1 961 . 2 2 87 87 GLN HG2 H 1 2.14 0.03 . 2 1 . . B 378 GLN HG2 . 17485 1 962 . 2 2 87 87 GLN HG3 H 1 2.20 0.03 . 2 1 . . B 378 GLN HG3 . 17485 1 963 . 2 2 87 87 GLN C C 13 176.86 0.20 . 1 1 . . B 378 GLN C . 17485 1 964 . 2 2 87 87 GLN CA C 13 57.49 0.20 . 1 1 . . B 378 GLN CA . 17485 1 965 . 2 2 87 87 GLN CB C 13 27.94 0.20 . 1 1 . . B 378 GLN CB . 17485 1 966 . 2 2 87 87 GLN CG C 13 34.15 0.20 . 1 1 . . B 378 GLN CG . 17485 1 967 . 2 2 87 87 GLN N N 15 117.41 0.30 . 1 1 . . B 378 GLN N . 17485 1 968 . 2 2 88 88 PHE H H 1 7.71 0.03 . 1 1 . . B 379 PHE H . 17485 1 969 . 2 2 88 88 PHE HA H 1 4.31 0.03 . 1 1 . . B 379 PHE HA . 17485 1 970 . 2 2 88 88 PHE HB2 H 1 2.66 0.03 . 2 1 . . B 379 PHE HB2 . 17485 1 971 . 2 2 88 88 PHE HB3 H 1 2.98 0.03 . 2 1 . . B 379 PHE HB3 . 17485 1 972 . 2 2 88 88 PHE HD2 H 1 7.15 0.03 . 3 1 . . B 379 PHE HD2 . 17485 1 973 . 2 2 88 88 PHE HE2 H 1 6.65 0.03 . 3 1 . . B 379 PHE HE2 . 17485 1 974 . 2 2 88 88 PHE HZ H 1 6.27 0.03 . 1 1 . . B 379 PHE HZ . 17485 1 975 . 2 2 88 88 PHE C C 13 174.02 0.20 . 1 1 . . B 379 PHE C . 17485 1 976 . 2 2 88 88 PHE CA C 13 59.07 0.20 . 1 1 . . B 379 PHE CA . 17485 1 977 . 2 2 88 88 PHE CB C 13 39.79 0.20 . 1 1 . . B 379 PHE CB . 17485 1 978 . 2 2 88 88 PHE N N 15 115.75 0.30 . 1 1 . . B 379 PHE N . 17485 1 979 . 2 2 89 89 LEU H H 1 7.10 0.03 . 1 1 . . B 380 LEU H . 17485 1 980 . 2 2 89 89 LEU HA H 1 4.52 0.03 . 1 1 . . B 380 LEU HA . 17485 1 981 . 2 2 89 89 LEU HB2 H 1 0.99 0.03 . 2 1 . . B 380 LEU HB2 . 17485 1 982 . 2 2 89 89 LEU HB3 H 1 1.45 0.03 . 2 1 . . B 380 LEU HB3 . 17485 1 983 . 2 2 89 89 LEU HG H 1 1.26 0.03 . 1 1 . . B 380 LEU HG . 17485 1 984 . 2 2 89 89 LEU HD11 H 1 0.51 0.03 . 2 1 . . B 380 LEU HD11 . 17485 1 985 . 2 2 89 89 LEU HD12 H 1 0.51 0.03 . 2 1 . . B 380 LEU HD12 . 17485 1 986 . 2 2 89 89 LEU HD13 H 1 0.51 0.03 . 2 1 . . B 380 LEU HD13 . 17485 1 987 . 2 2 89 89 LEU HD21 H 1 0.47 0.03 . 2 1 . . B 380 LEU HD21 . 17485 1 988 . 2 2 89 89 LEU HD22 H 1 0.47 0.03 . 2 1 . . B 380 LEU HD22 . 17485 1 989 . 2 2 89 89 LEU HD23 H 1 0.47 0.03 . 2 1 . . B 380 LEU HD23 . 17485 1 990 . 2 2 89 89 LEU CA C 13 52.39 0.20 . 1 1 . . B 380 LEU CA . 17485 1 991 . 2 2 89 89 LEU CB C 13 42.65 0.20 . 1 1 . . B 380 LEU CB . 17485 1 992 . 2 2 89 89 LEU CG C 13 26.88 0.20 . 1 1 . . B 380 LEU CG . 17485 1 993 . 2 2 89 89 LEU CD1 C 13 25.29 0.20 . 2 1 . . B 380 LEU CD1 . 17485 1 994 . 2 2 89 89 LEU CD2 C 13 24.73 0.20 . 2 1 . . B 380 LEU CD2 . 17485 1 995 . 2 2 89 89 LEU N N 15 119.05 0.30 . 1 1 . . B 380 LEU N . 17485 1 996 . 2 2 90 90 PRO HA H 1 4.45 0.03 . 1 1 . . B 381 PRO HA . 17485 1 997 . 2 2 90 90 PRO HB2 H 1 1.85 0.03 . 2 1 . . B 381 PRO HB2 . 17485 1 998 . 2 2 90 90 PRO HB3 H 1 2.22 0.03 . 2 1 . . B 381 PRO HB3 . 17485 1 999 . 2 2 90 90 PRO HG3 H 1 1.91 0.03 . 2 1 . . B 381 PRO HG3 . 17485 1 1000 . 2 2 90 90 PRO HD2 H 1 3.34 0.03 . 2 1 . . B 381 PRO HD2 . 17485 1 1001 . 2 2 90 90 PRO HD3 H 1 3.53 0.03 . 2 1 . . B 381 PRO HD3 . 17485 1 1002 . 2 2 90 90 PRO C C 13 176.95 0.20 . 1 1 . . B 381 PRO C . 17485 1 1003 . 2 2 90 90 PRO CA C 13 63.53 0.20 . 1 1 . . B 381 PRO CA . 17485 1 1004 . 2 2 90 90 PRO CB C 13 32.26 0.20 . 1 1 . . B 381 PRO CB . 17485 1 1005 . 2 2 90 90 PRO CG C 13 27.33 0.20 . 1 1 . . B 381 PRO CG . 17485 1 1006 . 2 2 90 90 PRO CD C 13 50.25 0.20 . 1 1 . . B 381 PRO CD . 17485 1 1007 . 2 2 91 91 ASP H H 1 8.36 0.03 . 1 1 . . B 382 ASP H . 17485 1 1008 . 2 2 91 91 ASP HA H 1 4.31 0.03 . 1 1 . . B 382 ASP HA . 17485 1 1009 . 2 2 91 91 ASP HB2 H 1 2.42 0.03 . 2 1 . . B 382 ASP HB2 . 17485 1 1010 . 2 2 91 91 ASP HB3 H 1 2.61 0.03 . 2 1 . . B 382 ASP HB3 . 17485 1 1011 . 2 2 91 91 ASP C C 13 176.30 0.20 . 1 1 . . B 382 ASP C . 17485 1 1012 . 2 2 91 91 ASP CA C 13 54.19 0.20 . 1 1 . . B 382 ASP CA . 17485 1 1013 . 2 2 91 91 ASP CB C 13 40.92 0.20 . 1 1 . . B 382 ASP CB . 17485 1 1014 . 2 2 91 91 ASP N N 15 119.04 0.30 . 1 1 . . B 382 ASP N . 17485 1 1015 . 2 2 92 92 ALA H H 1 7.96 0.03 . 1 1 . . B 383 ALA H . 17485 1 1016 . 2 2 92 92 ALA HA H 1 4.19 0.03 . 1 1 . . B 383 ALA HA . 17485 1 1017 . 2 2 92 92 ALA HB1 H 1 1.26 0.03 . 1 1 . . B 383 ALA HB1 . 17485 1 1018 . 2 2 92 92 ALA HB2 H 1 1.26 0.03 . 1 1 . . B 383 ALA HB2 . 17485 1 1019 . 2 2 92 92 ALA HB3 H 1 1.26 0.03 . 1 1 . . B 383 ALA HB3 . 17485 1 1020 . 2 2 92 92 ALA C C 13 177.25 0.20 . 1 1 . . B 383 ALA C . 17485 1 1021 . 2 2 92 92 ALA CA C 13 52.99 0.20 . 1 1 . . B 383 ALA CA . 17485 1 1022 . 2 2 92 92 ALA CB C 13 19.49 0.20 . 1 1 . . B 383 ALA CB . 17485 1 1023 . 2 2 92 92 ALA N N 15 124.28 0.30 . 1 1 . . B 383 ALA N . 17485 1 1024 . 2 2 93 93 ASN H H 1 8.29 0.03 . 1 1 . . B 384 ASN H . 17485 1 1025 . 2 2 93 93 ASN HA H 1 4.67 0.03 . 1 1 . . B 384 ASN HA . 17485 1 1026 . 2 2 93 93 ASN HB2 H 1 2.61 0.03 . 2 1 . . B 384 ASN HB2 . 17485 1 1027 . 2 2 93 93 ASN HB3 H 1 2.77 0.03 . 2 1 . . B 384 ASN HB3 . 17485 1 1028 . 2 2 93 93 ASN C C 13 174.27 0.20 . 1 1 . . B 384 ASN C . 17485 1 1029 . 2 2 93 93 ASN CA C 13 53.30 0.20 . 1 1 . . B 384 ASN CA . 17485 1 1030 . 2 2 93 93 ASN CB C 13 39.35 0.20 . 1 1 . . B 384 ASN CB . 17485 1 1031 . 2 2 93 93 ASN N N 15 117.12 0.30 . 1 1 . . B 384 ASN N . 17485 1 1032 . 2 2 94 94 SER H H 1 7.69 0.03 . 1 1 . . B 385 SER H . 17485 1 1033 . 2 2 94 94 SER HA H 1 4.21 0.03 . 1 1 . . B 385 SER HA . 17485 1 1034 . 2 2 94 94 SER HB3 H 1 3.80 0.03 . 2 1 . . B 385 SER HB3 . 17485 1 1035 . 2 2 94 94 SER CA C 13 60.16 0.20 . 1 1 . . B 385 SER CA . 17485 1 1036 . 2 2 94 94 SER CB C 13 64.96 0.20 . 1 1 . . B 385 SER CB . 17485 1 1037 . 2 2 94 94 SER N N 15 121.19 0.30 . 1 1 . . B 385 SER N . 17485 1 1038 . 1 1 2 2 ASN HA H 1 4.71 0.03 . 1 1 . . A 198 ASN HA . 17485 1 1039 . 1 1 2 2 ASN HB2 H 1 2.79 0.03 . 2 1 . . A 198 ASN HB2 . 17485 1 1040 . 1 1 2 2 ASN HB3 H 1 2.85 0.03 . 2 1 . . A 198 ASN HB3 . 17485 1 1041 . 1 1 2 2 ASN HD21 H 1 6.89 0.03 . 2 1 . . A 198 ASN HD21 . 17485 1 1042 . 1 1 2 2 ASN HD22 H 1 7.60 0.03 . 2 1 . . A 198 ASN HD22 . 17485 1 1043 . 1 1 2 2 ASN C C 13 175.03 0.20 . 1 1 . . A 198 ASN C . 17485 1 1044 . 1 1 2 2 ASN CA C 13 53.69 0.20 . 1 1 . . A 198 ASN CA . 17485 1 1045 . 1 1 2 2 ASN CB C 13 38.91 0.20 . 1 1 . . A 198 ASN CB . 17485 1 1046 . 1 1 2 2 ASN ND2 N 15 112.97 0.30 . 1 1 . . A 198 ASN ND2 . 17485 1 1047 . 1 1 3 3 ALA H H 1 8.35 0.03 . 1 1 . . A 199 ALA H . 17485 1 1048 . 1 1 3 3 ALA HA H 1 4.28 0.03 . 1 1 . . A 199 ALA HA . 17485 1 1049 . 1 1 3 3 ALA HB1 H 1 1.32 0.03 . 1 1 . . A 199 ALA HB1 . 17485 1 1050 . 1 1 3 3 ALA HB2 H 1 1.32 0.03 . 1 1 . . A 199 ALA HB2 . 17485 1 1051 . 1 1 3 3 ALA HB3 H 1 1.32 0.03 . 1 1 . . A 199 ALA HB3 . 17485 1 1052 . 1 1 3 3 ALA C C 13 177.26 0.20 . 1 1 . . A 199 ALA C . 17485 1 1053 . 1 1 3 3 ALA CA C 13 52.76 0.20 . 1 1 . . A 199 ALA CA . 17485 1 1054 . 1 1 3 3 ALA CB C 13 19.09 0.20 . 1 1 . . A 199 ALA CB . 17485 1 1055 . 1 1 3 3 ALA N N 15 124.08 0.30 . 1 1 . . A 199 ALA N . 17485 1 1056 . 1 1 4 4 ASP H H 1 8.08 0.03 . 1 1 . . A 200 ASP H . 17485 1 1057 . 1 1 4 4 ASP HA H 1 4.51 0.03 . 1 1 . . A 200 ASP HA . 17485 1 1058 . 1 1 4 4 ASP HB2 H 1 2.56 0.03 . 2 1 . . A 200 ASP HB2 . 17485 1 1059 . 1 1 4 4 ASP HB3 H 1 2.59 0.03 . 2 1 . . A 200 ASP HB3 . 17485 1 1060 . 1 1 4 4 ASP C C 13 175.77 0.20 . 1 1 . . A 200 ASP C . 17485 1 1061 . 1 1 4 4 ASP CA C 13 54.54 0.20 . 1 1 . . A 200 ASP CA . 17485 1 1062 . 1 1 4 4 ASP CB C 13 41.13 0.20 . 1 1 . . A 200 ASP CB . 17485 1 1063 . 1 1 4 4 ASP N N 15 118.75 0.30 . 1 1 . . A 200 ASP N . 17485 1 1064 . 1 1 5 5 TYR H H 1 7.92 0.03 . 1 1 . . A 201 TYR H . 17485 1 1065 . 1 1 5 5 TYR HA H 1 4.52 0.03 . 1 1 . . A 201 TYR HA . 17485 1 1066 . 1 1 5 5 TYR HB3 H 1 2.98 0.03 . 2 1 . . A 201 TYR HB3 . 17485 1 1067 . 1 1 5 5 TYR HD1 H 1 7.09 0.03 . 3 1 . . A 201 TYR HD1 . 17485 1 1068 . 1 1 5 5 TYR HE1 H 1 6.80 0.03 . 3 1 . . A 201 TYR HE1 . 17485 1 1069 . 1 1 5 5 TYR C C 13 175.24 0.20 . 1 1 . . A 201 TYR C . 17485 1 1070 . 1 1 5 5 TYR CA C 13 58.01 0.20 . 1 1 . . A 201 TYR CA . 17485 1 1071 . 1 1 5 5 TYR CB C 13 38.99 0.20 . 1 1 . . A 201 TYR CB . 17485 1 1072 . 1 1 5 5 TYR CD1 C 13 133.18 0.20 . 1 1 . . A 201 TYR CD1 . 17485 1 1073 . 1 1 5 5 TYR CE1 C 13 118.07 0.20 . 1 1 . . A 201 TYR CE1 . 17485 1 1074 . 1 1 5 5 TYR N N 15 120.26 0.30 . 1 1 . . A 201 TYR N . 17485 1 1075 . 1 1 6 6 VAL H H 1 7.83 0.03 . 1 1 . . A 202 VAL H . 17485 1 1076 . 1 1 6 6 VAL HA H 1 3.98 0.03 . 1 1 . . A 202 VAL HA . 17485 1 1077 . 1 1 6 6 VAL HB H 1 1.91 0.03 . 1 1 . . A 202 VAL HB . 17485 1 1078 . 1 1 6 6 VAL HG11 H 1 0.85 0.03 . 2 1 . . A 202 VAL HG11 . 17485 1 1079 . 1 1 6 6 VAL HG12 H 1 0.85 0.03 . 2 1 . . A 202 VAL HG12 . 17485 1 1080 . 1 1 6 6 VAL HG13 H 1 0.85 0.03 . 2 1 . . A 202 VAL HG13 . 17485 1 1081 . 1 1 6 6 VAL HG21 H 1 0.84 0.03 . 2 1 . . A 202 VAL HG21 . 17485 1 1082 . 1 1 6 6 VAL HG22 H 1 0.84 0.03 . 2 1 . . A 202 VAL HG22 . 17485 1 1083 . 1 1 6 6 VAL HG23 H 1 0.84 0.03 . 2 1 . . A 202 VAL HG23 . 17485 1 1084 . 1 1 6 6 VAL C C 13 175.19 0.20 . 1 1 . . A 202 VAL C . 17485 1 1085 . 1 1 6 6 VAL CA C 13 61.81 0.20 . 1 1 . . A 202 VAL CA . 17485 1 1086 . 1 1 6 6 VAL CB C 13 33.09 0.20 . 1 1 . . A 202 VAL CB . 17485 1 1087 . 1 1 6 6 VAL CG1 C 13 21.10 0.20 . 2 1 . . A 202 VAL CG1 . 17485 1 1088 . 1 1 6 6 VAL CG2 C 13 21.52 0.20 . 2 1 . . A 202 VAL CG2 . 17485 1 1089 . 1 1 6 6 VAL N N 15 123.99 0.30 . 1 1 . . A 202 VAL N . 17485 1 1090 . 1 1 7 7 GLN H H 1 8.35 0.03 . 1 1 . . A 203 GLN H . 17485 1 1091 . 1 1 7 7 GLN HA H 1 4.46 0.03 . 1 1 . . A 203 GLN HA . 17485 1 1092 . 1 1 7 7 GLN HB2 H 1 1.95 0.03 . 2 1 . . A 203 GLN HB2 . 17485 1 1093 . 1 1 7 7 GLN HB3 H 1 2.08 0.03 . 2 1 . . A 203 GLN HB3 . 17485 1 1094 . 1 1 7 7 GLN HG3 H 1 2.40 0.03 . 2 1 . . A 203 GLN HG3 . 17485 1 1095 . 1 1 7 7 GLN HE21 H 1 6.91 0.03 . 2 1 . . A 203 GLN HE21 . 17485 1 1096 . 1 1 7 7 GLN HE22 H 1 7.58 0.03 . 2 1 . . A 203 GLN HE22 . 17485 1 1097 . 1 1 7 7 GLN CA C 13 53.97 0.20 . 1 1 . . A 203 GLN CA . 17485 1 1098 . 1 1 7 7 GLN CB C 13 28.98 0.20 . 1 1 . . A 203 GLN CB . 17485 1 1099 . 1 1 7 7 GLN CG C 13 33.71 0.20 . 1 1 . . A 203 GLN CG . 17485 1 1100 . 1 1 7 7 GLN N N 15 125.69 0.30 . 1 1 . . A 203 GLN N . 17485 1 1101 . 1 1 7 7 GLN NE2 N 15 112.60 0.30 . 1 1 . . A 203 GLN NE2 . 17485 1 1102 . 1 1 8 8 PRO HA H 1 4.37 0.03 . 1 1 . . A 204 PRO HA . 17485 1 1103 . 1 1 8 8 PRO HB2 H 1 1.90 0.03 . 2 1 . . A 204 PRO HB2 . 17485 1 1104 . 1 1 8 8 PRO HB3 H 1 2.29 0.03 . 2 1 . . A 204 PRO HB3 . 17485 1 1105 . 1 1 8 8 PRO HG3 H 1 2.03 0.03 . 2 1 . . A 204 PRO HG3 . 17485 1 1106 . 1 1 8 8 PRO HD2 H 1 3.70 0.03 . 2 1 . . A 204 PRO HD2 . 17485 1 1107 . 1 1 8 8 PRO HD3 H 1 3.85 0.03 . 2 1 . . A 204 PRO HD3 . 17485 1 1108 . 1 1 8 8 PRO C C 13 176.78 0.20 . 1 1 . . A 204 PRO C . 17485 1 1109 . 1 1 8 8 PRO CA C 13 63.50 0.20 . 1 1 . . A 204 PRO CA . 17485 1 1110 . 1 1 8 8 PRO CB C 13 32.40 0.20 . 1 1 . . A 204 PRO CB . 17485 1 1111 . 1 1 8 8 PRO CG C 13 27.58 0.20 . 1 1 . . A 204 PRO CG . 17485 1 1112 . 1 1 8 8 PRO CD C 13 51.10 0.20 . 1 1 . . A 204 PRO CD . 17485 1 1113 . 1 1 9 9 GLN H H 1 8.50 0.03 . 1 1 . . A 205 GLN H . 17485 1 1114 . 1 1 9 9 GLN HA H 1 4.29 0.03 . 1 1 . . A 205 GLN HA . 17485 1 1115 . 1 1 9 9 GLN HB2 H 1 1.97 0.03 . 2 1 . . A 205 GLN HB2 . 17485 1 1116 . 1 1 9 9 GLN HB3 H 1 2.07 0.03 . 2 1 . . A 205 GLN HB3 . 17485 1 1117 . 1 1 9 9 GLN HG3 H 1 2.37 0.03 . 2 1 . . A 205 GLN HG3 . 17485 1 1118 . 1 1 9 9 GLN C C 13 175.85 0.20 . 1 1 . . A 205 GLN C . 17485 1 1119 . 1 1 9 9 GLN CA C 13 55.99 0.20 . 1 1 . . A 205 GLN CA . 17485 1 1120 . 1 1 9 9 GLN CB C 13 29.45 0.20 . 1 1 . . A 205 GLN CB . 17485 1 1121 . 1 1 9 9 GLN CG C 13 34.05 0.20 . 1 1 . . A 205 GLN CG . 17485 1 1122 . 1 1 9 9 GLN N N 15 120.30 0.30 . 1 1 . . A 205 GLN N . 17485 1 1123 . 1 1 10 10 LEU H H 1 8.24 0.03 . 1 1 . . A 206 LEU H . 17485 1 1124 . 1 1 10 10 LEU HA H 1 4.35 0.03 . 1 1 . . A 206 LEU HA . 17485 1 1125 . 1 1 10 10 LEU HB2 H 1 1.55 0.03 . 2 1 . . A 206 LEU HB2 . 17485 1 1126 . 1 1 10 10 LEU HB3 H 1 1.66 0.03 . 2 1 . . A 206 LEU HB3 . 17485 1 1127 . 1 1 10 10 LEU HG H 1 1.68 0.03 . 1 1 . . A 206 LEU HG . 17485 1 1128 . 1 1 10 10 LEU HD11 H 1 0.92 0.03 . 2 1 . . A 206 LEU HD11 . 17485 1 1129 . 1 1 10 10 LEU HD12 H 1 0.92 0.03 . 2 1 . . A 206 LEU HD12 . 17485 1 1130 . 1 1 10 10 LEU HD13 H 1 0.92 0.03 . 2 1 . . A 206 LEU HD13 . 17485 1 1131 . 1 1 10 10 LEU HD21 H 1 0.87 0.03 . 2 1 . . A 206 LEU HD21 . 17485 1 1132 . 1 1 10 10 LEU HD22 H 1 0.87 0.03 . 2 1 . . A 206 LEU HD22 . 17485 1 1133 . 1 1 10 10 LEU HD23 H 1 0.87 0.03 . 2 1 . . A 206 LEU HD23 . 17485 1 1134 . 1 1 10 10 LEU C C 13 177.05 0.20 . 1 1 . . A 206 LEU C . 17485 1 1135 . 1 1 10 10 LEU CA C 13 55.18 0.20 . 1 1 . . A 206 LEU CA . 17485 1 1136 . 1 1 10 10 LEU CB C 13 42.41 0.20 . 1 1 . . A 206 LEU CB . 17485 1 1137 . 1 1 10 10 LEU CG C 13 27.33 0.20 . 1 1 . . A 206 LEU CG . 17485 1 1138 . 1 1 10 10 LEU CD1 C 13 25.22 0.20 . 2 1 . . A 206 LEU CD1 . 17485 1 1139 . 1 1 10 10 LEU CD2 C 13 23.67 0.20 . 2 1 . . A 206 LEU CD2 . 17485 1 1140 . 1 1 10 10 LEU N N 15 123.55 0.30 . 1 1 . . A 206 LEU N . 17485 1 1141 . 1 1 11 11 ARG H H 1 8.44 0.03 . 1 1 . . A 207 ARG H . 17485 1 1142 . 1 1 11 11 ARG HA H 1 4.50 0.03 . 1 1 . . A 207 ARG HA . 17485 1 1143 . 1 1 11 11 ARG HB2 H 1 1.78 0.03 . 2 1 . . A 207 ARG HB2 . 17485 1 1144 . 1 1 11 11 ARG HB3 H 1 1.85 0.03 . 2 1 . . A 207 ARG HB3 . 17485 1 1145 . 1 1 11 11 ARG HG3 H 1 1.65 0.03 . 2 1 . . A 207 ARG HG3 . 17485 1 1146 . 1 1 11 11 ARG HD2 H 1 3.10 0.03 . 2 1 . . A 207 ARG HD2 . 17485 1 1147 . 1 1 11 11 ARG HD3 H 1 3.17 0.03 . 2 1 . . A 207 ARG HD3 . 17485 1 1148 . 1 1 11 11 ARG HE H 1 7.33 0.03 . 1 1 . . A 207 ARG HE . 17485 1 1149 . 1 1 11 11 ARG C C 13 176.19 0.20 . 1 1 . . A 207 ARG C . 17485 1 1150 . 1 1 11 11 ARG CA C 13 55.46 0.20 . 1 1 . . A 207 ARG CA . 17485 1 1151 . 1 1 11 11 ARG CB C 13 31.55 0.20 . 1 1 . . A 207 ARG CB . 17485 1 1152 . 1 1 11 11 ARG CG C 13 26.92 0.20 . 1 1 . . A 207 ARG CG . 17485 1 1153 . 1 1 11 11 ARG CD C 13 43.52 0.20 . 1 1 . . A 207 ARG CD . 17485 1 1154 . 1 1 11 11 ARG N N 15 121.70 0.30 . 1 1 . . A 207 ARG N . 17485 1 1155 . 1 1 11 11 ARG NE N 15 84.71 0.30 . 1 1 . . A 207 ARG NE . 17485 1 1156 . 1 1 12 12 ARG H H 1 8.74 0.03 . 1 1 . . A 208 ARG H . 17485 1 1157 . 1 1 12 12 ARG HA H 1 4.64 0.03 . 1 1 . . A 208 ARG HA . 17485 1 1158 . 1 1 12 12 ARG HB3 H 1 1.88 0.03 . 2 1 . . A 208 ARG HB3 . 17485 1 1159 . 1 1 12 12 ARG HG3 H 1 1.85 0.03 . 2 1 . . A 208 ARG HG3 . 17485 1 1160 . 1 1 12 12 ARG HD3 H 1 3.33 0.03 . 2 1 . . A 208 ARG HD3 . 17485 1 1161 . 1 1 12 12 ARG HE H 1 7.58 0.03 . 1 1 . . A 208 ARG HE . 17485 1 1162 . 1 1 12 12 ARG CA C 13 55.29 0.20 . 1 1 . . A 208 ARG CA . 17485 1 1163 . 1 1 12 12 ARG CB C 13 29.53 0.20 . 1 1 . . A 208 ARG CB . 17485 1 1164 . 1 1 12 12 ARG CG C 13 27.81 0.20 . 1 1 . . A 208 ARG CG . 17485 1 1165 . 1 1 12 12 ARG CD C 13 43.63 0.20 . 1 1 . . A 208 ARG CD . 17485 1 1166 . 1 1 12 12 ARG N N 15 122.51 0.30 . 1 1 . . A 208 ARG N . 17485 1 1167 . 1 1 12 12 ARG NE N 15 84.52 0.30 . 1 1 . . A 208 ARG NE . 17485 1 1168 . 1 1 13 13 PRO HA H 1 4.51 0.03 . 1 1 . . A 209 PRO HA . 17485 1 1169 . 1 1 13 13 PRO HB2 H 1 2.21 0.03 . 2 1 . . A 209 PRO HB2 . 17485 1 1170 . 1 1 13 13 PRO HB3 H 1 2.37 0.03 . 2 1 . . A 209 PRO HB3 . 17485 1 1171 . 1 1 13 13 PRO HD2 H 1 3.90 0.03 . 2 1 . . A 209 PRO HD2 . 17485 1 1172 . 1 1 13 13 PRO HD3 H 1 4.00 0.03 . 2 1 . . A 209 PRO HD3 . 17485 1 1173 . 1 1 13 13 PRO C C 13 178.33 0.20 . 1 1 . . A 209 PRO C . 17485 1 1174 . 1 1 13 13 PRO CA C 13 63.36 0.20 . 1 1 . . A 209 PRO CA . 17485 1 1175 . 1 1 14 14 PHE H H 1 8.70 0.03 . 1 1 . . A 210 PHE H . 17485 1 1176 . 1 1 14 14 PHE HA H 1 4.44 0.03 . 1 1 . . A 210 PHE HA . 17485 1 1177 . 1 1 14 14 PHE HB2 H 1 2.91 0.03 . 2 1 . . A 210 PHE HB2 . 17485 1 1178 . 1 1 14 14 PHE HB3 H 1 3.59 0.03 . 2 1 . . A 210 PHE HB3 . 17485 1 1179 . 1 1 14 14 PHE HD2 H 1 7.05 0.03 . 3 1 . . A 210 PHE HD2 . 17485 1 1180 . 1 1 14 14 PHE HE2 H 1 6.63 0.03 . 3 1 . . A 210 PHE HE2 . 17485 1 1181 . 1 1 14 14 PHE HZ H 1 6.70 0.03 . 1 1 . . A 210 PHE HZ . 17485 1 1182 . 1 1 14 14 PHE CA C 13 61.13 0.20 . 1 1 . . A 210 PHE CA . 17485 1 1183 . 1 1 14 14 PHE CB C 13 39.31 0.20 . 1 1 . . A 210 PHE CB . 17485 1 1184 . 1 1 14 14 PHE CD2 C 13 131.48 0.20 . 1 1 . . A 210 PHE CD2 . 17485 1 1185 . 1 1 14 14 PHE CE2 C 13 130.43 0.20 . 1 1 . . A 210 PHE CE2 . 17485 1 1186 . 1 1 14 14 PHE N N 15 117.52 0.30 . 1 1 . . A 210 PHE N . 17485 1 1187 . 1 1 15 15 GLU H H 1 7.56 0.03 . 1 1 . . A 211 GLU H . 17485 1 1188 . 1 1 15 15 GLU HA H 1 3.86 0.03 . 1 1 . . A 211 GLU HA . 17485 1 1189 . 1 1 15 15 GLU HB3 H 1 2.14 0.03 . 2 1 . . A 211 GLU HB3 . 17485 1 1190 . 1 1 15 15 GLU HG3 H 1 2.39 0.03 . 2 1 . . A 211 GLU HG3 . 17485 1 1191 . 1 1 15 15 GLU CA C 13 59.71 0.20 . 1 1 . . A 211 GLU CA . 17485 1 1192 . 1 1 15 15 GLU CB C 13 29.69 0.20 . 1 1 . . A 211 GLU CB . 17485 1 1193 . 1 1 15 15 GLU CG C 13 37.82 0.20 . 1 1 . . A 211 GLU CG . 17485 1 1194 . 1 1 15 15 GLU N N 15 115.59 0.30 . 1 1 . . A 211 GLU N . 17485 1 1195 . 1 1 16 16 LEU H H 1 7.86 0.03 . 1 1 . . A 212 LEU H . 17485 1 1196 . 1 1 16 16 LEU HA H 1 4.14 0.03 . 1 1 . . A 212 LEU HA . 17485 1 1197 . 1 1 16 16 LEU HB2 H 1 1.44 0.03 . 2 1 . . A 212 LEU HB2 . 17485 1 1198 . 1 1 16 16 LEU HB3 H 1 1.59 0.03 . 2 1 . . A 212 LEU HB3 . 17485 1 1199 . 1 1 16 16 LEU HG H 1 1.78 0.03 . 1 1 . . A 212 LEU HG . 17485 1 1200 . 1 1 16 16 LEU HD11 H 1 0.94 0.03 . 2 1 . . A 212 LEU HD11 . 17485 1 1201 . 1 1 16 16 LEU HD12 H 1 0.94 0.03 . 2 1 . . A 212 LEU HD12 . 17485 1 1202 . 1 1 16 16 LEU HD13 H 1 0.94 0.03 . 2 1 . . A 212 LEU HD13 . 17485 1 1203 . 1 1 16 16 LEU HD21 H 1 0.87 0.03 . 2 1 . . A 212 LEU HD21 . 17485 1 1204 . 1 1 16 16 LEU HD22 H 1 0.87 0.03 . 2 1 . . A 212 LEU HD22 . 17485 1 1205 . 1 1 16 16 LEU HD23 H 1 0.87 0.03 . 2 1 . . A 212 LEU HD23 . 17485 1 1206 . 1 1 16 16 LEU C C 13 178.12 0.20 . 1 1 . . A 212 LEU C . 17485 1 1207 . 1 1 16 16 LEU CA C 13 58.03 0.20 . 1 1 . . A 212 LEU CA . 17485 1 1208 . 1 1 16 16 LEU CB C 13 41.42 0.20 . 1 1 . . A 212 LEU CB . 17485 1 1209 . 1 1 16 16 LEU CG C 13 27.02 0.20 . 1 1 . . A 212 LEU CG . 17485 1 1210 . 1 1 16 16 LEU CD1 C 13 26.66 0.20 . 2 1 . . A 212 LEU CD1 . 17485 1 1211 . 1 1 16 16 LEU CD2 C 13 23.91 0.20 . 2 1 . . A 212 LEU CD2 . 17485 1 1212 . 1 1 16 16 LEU N N 15 120.40 0.30 . 1 1 . . A 212 LEU N . 17485 1 1213 . 1 1 17 17 LEU H H 1 7.73 0.03 . 1 1 . . A 213 LEU H . 17485 1 1214 . 1 1 17 17 LEU HA H 1 3.83 0.03 . 1 1 . . A 213 LEU HA . 17485 1 1215 . 1 1 17 17 LEU HB2 H 1 1.07 0.03 . 2 1 . . A 213 LEU HB2 . 17485 1 1216 . 1 1 17 17 LEU HB3 H 1 1.84 0.03 . 2 1 . . A 213 LEU HB3 . 17485 1 1217 . 1 1 17 17 LEU HG H 1 1.33 0.03 . 1 1 . . A 213 LEU HG . 17485 1 1218 . 1 1 17 17 LEU HD11 H 1 0.77 0.03 . 2 1 . . A 213 LEU HD11 . 17485 1 1219 . 1 1 17 17 LEU HD12 H 1 0.77 0.03 . 2 1 . . A 213 LEU HD12 . 17485 1 1220 . 1 1 17 17 LEU HD13 H 1 0.77 0.03 . 2 1 . . A 213 LEU HD13 . 17485 1 1221 . 1 1 17 17 LEU HD21 H 1 0.63 0.03 . 2 1 . . A 213 LEU HD21 . 17485 1 1222 . 1 1 17 17 LEU HD22 H 1 0.63 0.03 . 2 1 . . A 213 LEU HD22 . 17485 1 1223 . 1 1 17 17 LEU HD23 H 1 0.63 0.03 . 2 1 . . A 213 LEU HD23 . 17485 1 1224 . 1 1 17 17 LEU C C 13 177.70 0.20 . 1 1 . . A 213 LEU C . 17485 1 1225 . 1 1 17 17 LEU CA C 13 58.37 0.20 . 1 1 . . A 213 LEU CA . 17485 1 1226 . 1 1 17 17 LEU CB C 13 40.53 0.20 . 1 1 . . A 213 LEU CB . 17485 1 1227 . 1 1 17 17 LEU CG C 13 26.91 0.20 . 1 1 . . A 213 LEU CG . 17485 1 1228 . 1 1 17 17 LEU CD1 C 13 26.36 0.20 . 2 1 . . A 213 LEU CD1 . 17485 1 1229 . 1 1 17 17 LEU CD2 C 13 24.30 0.20 . 2 1 . . A 213 LEU CD2 . 17485 1 1230 . 1 1 17 17 LEU N N 15 119.94 0.30 . 1 1 . . A 213 LEU N . 17485 1 1231 . 1 1 18 18 ILE H H 1 7.70 0.03 . 1 1 . . A 214 ILE H . 17485 1 1232 . 1 1 18 18 ILE HA H 1 3.85 0.03 . 1 1 . . A 214 ILE HA . 17485 1 1233 . 1 1 18 18 ILE HB H 1 1.75 0.03 . 1 1 . . A 214 ILE HB . 17485 1 1234 . 1 1 18 18 ILE HG12 H 1 1.30 0.03 . 2 1 . . A 214 ILE HG12 . 17485 1 1235 . 1 1 18 18 ILE HG13 H 1 0.67 0.03 . 2 1 . . A 214 ILE HG13 . 17485 1 1236 . 1 1 18 18 ILE HG21 H 1 0.80 0.03 . 1 1 . . A 214 ILE HG21 . 17485 1 1237 . 1 1 18 18 ILE HG22 H 1 0.80 0.03 . 1 1 . . A 214 ILE HG22 . 17485 1 1238 . 1 1 18 18 ILE HG23 H 1 0.80 0.03 . 1 1 . . A 214 ILE HG23 . 17485 1 1239 . 1 1 18 18 ILE HD11 H 1 0.58 0.03 . 1 1 . . A 214 ILE HD11 . 17485 1 1240 . 1 1 18 18 ILE HD12 H 1 0.58 0.03 . 1 1 . . A 214 ILE HD12 . 17485 1 1241 . 1 1 18 18 ILE HD13 H 1 0.58 0.03 . 1 1 . . A 214 ILE HD13 . 17485 1 1242 . 1 1 18 18 ILE C C 13 177.41 0.20 . 1 1 . . A 214 ILE C . 17485 1 1243 . 1 1 18 18 ILE CA C 13 65.33 0.20 . 1 1 . . A 214 ILE CA . 17485 1 1244 . 1 1 18 18 ILE CB C 13 37.87 0.20 . 1 1 . . A 214 ILE CB . 17485 1 1245 . 1 1 18 18 ILE CG1 C 13 29.66 0.20 . 1 1 . . A 214 ILE CG1 . 17485 1 1246 . 1 1 18 18 ILE CG2 C 13 17.88 0.20 . 1 1 . . A 214 ILE CG2 . 17485 1 1247 . 1 1 18 18 ILE CD1 C 13 13.69 0.20 . 1 1 . . A 214 ILE CD1 . 17485 1 1248 . 1 1 18 18 ILE N N 15 117.51 0.30 . 1 1 . . A 214 ILE N . 17485 1 1249 . 1 1 19 19 ALA H H 1 7.84 0.03 . 1 1 . . A 215 ALA H . 17485 1 1250 . 1 1 19 19 ALA HA H 1 4.03 0.03 . 1 1 . . A 215 ALA HA . 17485 1 1251 . 1 1 19 19 ALA HB1 H 1 1.56 0.03 . 1 1 . . A 215 ALA HB1 . 17485 1 1252 . 1 1 19 19 ALA HB2 H 1 1.56 0.03 . 1 1 . . A 215 ALA HB2 . 17485 1 1253 . 1 1 19 19 ALA HB3 H 1 1.56 0.03 . 1 1 . . A 215 ALA HB3 . 17485 1 1254 . 1 1 19 19 ALA C C 13 180.39 0.20 . 1 1 . . A 215 ALA C . 17485 1 1255 . 1 1 19 19 ALA CA C 13 55.29 0.20 . 1 1 . . A 215 ALA CA . 17485 1 1256 . 1 1 19 19 ALA CB C 13 18.31 0.20 . 1 1 . . A 215 ALA CB . 17485 1 1257 . 1 1 19 19 ALA N N 15 120.36 0.30 . 1 1 . . A 215 ALA N . 17485 1 1258 . 1 1 20 20 ALA H H 1 8.37 0.03 . 1 1 . . A 216 ALA H . 17485 1 1259 . 1 1 20 20 ALA HA H 1 3.97 0.03 . 1 1 . . A 216 ALA HA . 17485 1 1260 . 1 1 20 20 ALA HB1 H 1 1.19 0.03 . 1 1 . . A 216 ALA HB1 . 17485 1 1261 . 1 1 20 20 ALA HB2 H 1 1.19 0.03 . 1 1 . . A 216 ALA HB2 . 17485 1 1262 . 1 1 20 20 ALA HB3 H 1 1.19 0.03 . 1 1 . . A 216 ALA HB3 . 17485 1 1263 . 1 1 20 20 ALA C C 13 179.22 0.20 . 1 1 . . A 216 ALA C . 17485 1 1264 . 1 1 20 20 ALA CA C 13 54.89 0.20 . 1 1 . . A 216 ALA CA . 17485 1 1265 . 1 1 20 20 ALA CB C 13 19.08 0.20 . 1 1 . . A 216 ALA CB . 17485 1 1266 . 1 1 20 20 ALA N N 15 120.62 0.30 . 1 1 . . A 216 ALA N . 17485 1 1267 . 1 1 21 21 ALA H H 1 8.33 0.03 . 1 1 . . A 217 ALA H . 17485 1 1268 . 1 1 21 21 ALA HA H 1 4.02 0.03 . 1 1 . . A 217 ALA HA . 17485 1 1269 . 1 1 21 21 ALA HB1 H 1 1.36 0.03 . 1 1 . . A 217 ALA HB1 . 17485 1 1270 . 1 1 21 21 ALA HB2 H 1 1.36 0.03 . 1 1 . . A 217 ALA HB2 . 17485 1 1271 . 1 1 21 21 ALA HB3 H 1 1.36 0.03 . 1 1 . . A 217 ALA HB3 . 17485 1 1272 . 1 1 21 21 ALA C C 13 179.10 0.20 . 1 1 . . A 217 ALA C . 17485 1 1273 . 1 1 21 21 ALA CA C 13 54.73 0.20 . 1 1 . . A 217 ALA CA . 17485 1 1274 . 1 1 21 21 ALA CB C 13 18.84 0.20 . 1 1 . . A 217 ALA CB . 17485 1 1275 . 1 1 21 21 ALA N N 15 119.62 0.30 . 1 1 . . A 217 ALA N . 17485 1 1276 . 1 1 22 22 MET H H 1 8.09 0.03 . 1 1 . . A 218 MET H . 17485 1 1277 . 1 1 22 22 MET HA H 1 4.05 0.03 . 1 1 . . A 218 MET HA . 17485 1 1278 . 1 1 22 22 MET HB2 H 1 1.98 0.03 . 2 1 . . A 218 MET HB2 . 17485 1 1279 . 1 1 22 22 MET HB3 H 1 2.32 0.03 . 2 1 . . A 218 MET HB3 . 17485 1 1280 . 1 1 22 22 MET HG3 H 1 2.50 0.03 . 2 1 . . A 218 MET HG3 . 17485 1 1281 . 1 1 22 22 MET HE1 H 1 1.95 0.03 . 1 1 . . A 218 MET HE1 . 17485 1 1282 . 1 1 22 22 MET HE2 H 1 1.95 0.03 . 1 1 . . A 218 MET HE2 . 17485 1 1283 . 1 1 22 22 MET HE3 H 1 1.95 0.03 . 1 1 . . A 218 MET HE3 . 17485 1 1284 . 1 1 22 22 MET C C 13 177.22 0.20 . 1 1 . . A 218 MET C . 17485 1 1285 . 1 1 22 22 MET CA C 13 56.75 0.20 . 1 1 . . A 218 MET CA . 17485 1 1286 . 1 1 22 22 MET CB C 13 32.64 0.20 . 1 1 . . A 218 MET CB . 17485 1 1287 . 1 1 22 22 MET CG C 13 32.42 0.20 . 1 1 . . A 218 MET CG . 17485 1 1288 . 1 1 22 22 MET CE C 13 17.66 0.20 . 1 1 . . A 218 MET CE . 17485 1 1289 . 1 1 22 22 MET N N 15 115.69 0.30 . 1 1 . . A 218 MET N . 17485 1 1290 . 1 1 23 23 GLU H H 1 7.76 0.03 . 1 1 . . A 219 GLU H . 17485 1 1291 . 1 1 23 23 GLU HA H 1 4.13 0.03 . 1 1 . . A 219 GLU HA . 17485 1 1292 . 1 1 23 23 GLU HB2 H 1 2.16 0.03 . 2 1 . . A 219 GLU HB2 . 17485 1 1293 . 1 1 23 23 GLU HB3 H 1 2.25 0.03 . 2 1 . . A 219 GLU HB3 . 17485 1 1294 . 1 1 23 23 GLU HG3 H 1 2.34 0.03 . 2 1 . . A 219 GLU HG3 . 17485 1 1295 . 1 1 23 23 GLU C C 13 177.21 0.20 . 1 1 . . A 219 GLU C . 17485 1 1296 . 1 1 23 23 GLU CA C 13 57.88 0.20 . 1 1 . . A 219 GLU CA . 17485 1 1297 . 1 1 23 23 GLU CB C 13 29.76 0.20 . 1 1 . . A 219 GLU CB . 17485 1 1298 . 1 1 23 23 GLU CG C 13 36.32 0.20 . 1 1 . . A 219 GLU CG . 17485 1 1299 . 1 1 23 23 GLU N N 15 119.26 0.30 . 1 1 . . A 219 GLU N . 17485 1 1300 . 1 1 24 24 ARG H H 1 7.97 0.03 . 1 1 . . A 220 ARG H . 17485 1 1301 . 1 1 24 24 ARG HA H 1 4.37 0.03 . 1 1 . . A 220 ARG HA . 17485 1 1302 . 1 1 24 24 ARG HB2 H 1 1.79 0.03 . 2 1 . . A 220 ARG HB2 . 17485 1 1303 . 1 1 24 24 ARG HB3 H 1 1.98 0.03 . 2 1 . . A 220 ARG HB3 . 17485 1 1304 . 1 1 24 24 ARG HG2 H 1 1.67 0.03 . 2 1 . . A 220 ARG HG2 . 17485 1 1305 . 1 1 24 24 ARG HG3 H 1 1.70 0.03 . 2 1 . . A 220 ARG HG3 . 17485 1 1306 . 1 1 24 24 ARG HD3 H 1 3.22 0.03 . 2 1 . . A 220 ARG HD3 . 17485 1 1307 . 1 1 24 24 ARG HE H 1 7.46 0.03 . 1 1 . . A 220 ARG HE . 17485 1 1308 . 1 1 24 24 ARG C C 13 175.86 0.20 . 1 1 . . A 220 ARG C . 17485 1 1309 . 1 1 24 24 ARG CA C 13 55.35 0.20 . 1 1 . . A 220 ARG CA . 17485 1 1310 . 1 1 24 24 ARG CB C 13 30.84 0.20 . 1 1 . . A 220 ARG CB . 17485 1 1311 . 1 1 24 24 ARG CG C 13 27.07 0.20 . 1 1 . . A 220 ARG CG . 17485 1 1312 . 1 1 24 24 ARG CD C 13 42.72 0.20 . 1 1 . . A 220 ARG CD . 17485 1 1313 . 1 1 24 24 ARG N N 15 118.16 0.30 . 1 1 . . A 220 ARG N . 17485 1 1314 . 1 1 24 24 ARG NE N 15 84.81 0.30 . 1 1 . . A 220 ARG NE . 17485 1 1315 . 1 1 25 25 ASN H H 1 8.17 0.03 . 1 1 . . A 221 ASN H . 17485 1 1316 . 1 1 25 25 ASN HA H 1 5.11 0.03 . 1 1 . . A 221 ASN HA . 17485 1 1317 . 1 1 25 25 ASN HB2 H 1 2.77 0.03 . 2 1 . . A 221 ASN HB2 . 17485 1 1318 . 1 1 25 25 ASN HB3 H 1 2.85 0.03 . 2 1 . . A 221 ASN HB3 . 17485 1 1319 . 1 1 25 25 ASN HD21 H 1 6.88 0.03 . 2 1 . . A 221 ASN HD21 . 17485 1 1320 . 1 1 25 25 ASN HD22 H 1 7.83 0.03 . 2 1 . . A 221 ASN HD22 . 17485 1 1321 . 1 1 25 25 ASN CA C 13 51.51 0.20 . 1 1 . . A 221 ASN CA . 17485 1 1322 . 1 1 25 25 ASN CB C 13 39.69 0.20 . 1 1 . . A 221 ASN CB . 17485 1 1323 . 1 1 25 25 ASN N N 15 119.01 0.30 . 1 1 . . A 221 ASN N . 17485 1 1324 . 1 1 25 25 ASN ND2 N 15 113.39 0.30 . 1 1 . . A 221 ASN ND2 . 17485 1 1325 . 1 1 26 26 PRO HA H 1 4.45 0.03 . 1 1 . . A 222 PRO HA . 17485 1 1326 . 1 1 26 26 PRO HB2 H 1 2.00 0.03 . 2 1 . . A 222 PRO HB2 . 17485 1 1327 . 1 1 26 26 PRO HB3 H 1 2.29 0.03 . 2 1 . . A 222 PRO HB3 . 17485 1 1328 . 1 1 26 26 PRO HG3 H 1 2.02 0.03 . 2 1 . . A 222 PRO HG3 . 17485 1 1329 . 1 1 26 26 PRO HD2 H 1 3.63 0.03 . 2 1 . . A 222 PRO HD2 . 17485 1 1330 . 1 1 26 26 PRO HD3 H 1 3.71 0.03 . 2 1 . . A 222 PRO HD3 . 17485 1 1331 . 1 1 26 26 PRO C C 13 178.12 0.20 . 1 1 . . A 222 PRO C . 17485 1 1332 . 1 1 26 26 PRO CA C 13 64.68 0.20 . 1 1 . . A 222 PRO CA . 17485 1 1333 . 1 1 26 26 PRO CB C 13 32.27 0.20 . 1 1 . . A 222 PRO CB . 17485 1 1334 . 1 1 26 26 PRO CG C 13 27.50 0.20 . 1 1 . . A 222 PRO CG . 17485 1 1335 . 1 1 26 26 PRO CD C 13 50.83 0.20 . 1 1 . . A 222 PRO CD . 17485 1 1336 . 1 1 27 27 THR H H 1 8.09 0.03 . 1 1 . . A 223 THR H . 17485 1 1337 . 1 1 27 27 THR HA H 1 4.33 0.03 . 1 1 . . A 223 THR HA . 17485 1 1338 . 1 1 27 27 THR HB H 1 4.20 0.03 . 1 1 . . A 223 THR HB . 17485 1 1339 . 1 1 27 27 THR HG21 H 1 1.19 0.03 . 1 1 . . A 223 THR HG21 . 17485 1 1340 . 1 1 27 27 THR HG22 H 1 1.19 0.03 . 1 1 . . A 223 THR HG22 . 17485 1 1341 . 1 1 27 27 THR HG23 H 1 1.19 0.03 . 1 1 . . A 223 THR HG23 . 17485 1 1342 . 1 1 27 27 THR C C 13 175.22 0.20 . 1 1 . . A 223 THR C . 17485 1 1343 . 1 1 27 27 THR CA C 13 63.20 0.20 . 1 1 . . A 223 THR CA . 17485 1 1344 . 1 1 27 27 THR CB C 13 69.51 0.20 . 1 1 . . A 223 THR CB . 17485 1 1345 . 1 1 27 27 THR CG2 C 13 21.82 0.20 . 1 1 . . A 223 THR CG2 . 17485 1 1346 . 1 1 27 27 THR N N 15 112.07 0.30 . 1 1 . . A 223 THR N . 17485 1 1347 . 1 1 28 28 GLN H H 1 7.93 0.03 . 1 1 . . A 224 GLN H . 17485 1 1348 . 1 1 28 28 GLN HA H 1 4.14 0.03 . 1 1 . . A 224 GLN HA . 17485 1 1349 . 1 1 28 28 GLN HB3 H 1 1.89 0.03 . 2 1 . . A 224 GLN HB3 . 17485 1 1350 . 1 1 28 28 GLN HG3 H 1 2.10 0.03 . 2 1 . . A 224 GLN HG3 . 17485 1 1351 . 1 1 28 28 GLN HE21 H 1 6.81 0.03 . 2 1 . . A 224 GLN HE21 . 17485 1 1352 . 1 1 28 28 GLN HE22 H 1 7.46 0.03 . 2 1 . . A 224 GLN HE22 . 17485 1 1353 . 1 1 28 28 GLN C C 13 176.05 0.20 . 1 1 . . A 224 GLN C . 17485 1 1354 . 1 1 28 28 GLN CA C 13 56.41 0.20 . 1 1 . . A 224 GLN CA . 17485 1 1355 . 1 1 28 28 GLN CB C 13 29.16 0.20 . 1 1 . . A 224 GLN CB . 17485 1 1356 . 1 1 28 28 GLN CG C 13 33.91 0.20 . 1 1 . . A 224 GLN CG . 17485 1 1357 . 1 1 28 28 GLN N N 15 121.06 0.30 . 1 1 . . A 224 GLN N . 17485 1 1358 . 1 1 28 28 GLN NE2 N 15 112.27 0.30 . 1 1 . . A 224 GLN NE2 . 17485 1 1359 . 1 1 29 29 PHE H H 1 7.82 0.03 . 1 1 . . A 225 PHE H . 17485 1 1360 . 1 1 29 29 PHE HA H 1 4.29 0.03 . 1 1 . . A 225 PHE HA . 17485 1 1361 . 1 1 29 29 PHE HB2 H 1 2.83 0.03 . 2 1 . . A 225 PHE HB2 . 17485 1 1362 . 1 1 29 29 PHE HB3 H 1 3.18 0.03 . 2 1 . . A 225 PHE HB3 . 17485 1 1363 . 1 1 29 29 PHE HD1 H 1 7.28 0.03 . 3 1 . . A 225 PHE HD1 . 17485 1 1364 . 1 1 29 29 PHE HE1 H 1 7.15 0.03 . 3 1 . . A 225 PHE HE1 . 17485 1 1365 . 1 1 29 29 PHE HZ H 1 7.24 0.03 . 1 1 . . A 225 PHE HZ . 17485 1 1366 . 1 1 29 29 PHE C C 13 174.82 0.20 . 1 1 . . A 225 PHE C . 17485 1 1367 . 1 1 29 29 PHE CA C 13 57.65 0.20 . 1 1 . . A 225 PHE CA . 17485 1 1368 . 1 1 29 29 PHE CB C 13 39.94 0.20 . 1 1 . . A 225 PHE CB . 17485 1 1369 . 1 1 29 29 PHE CD1 C 13 132.07 0.20 . 1 1 . . A 225 PHE CD1 . 17485 1 1370 . 1 1 29 29 PHE CE1 C 13 130.91 0.20 . 1 1 . . A 225 PHE CE1 . 17485 1 1371 . 1 1 29 29 PHE CZ C 13 131.96 0.20 . 1 1 . . A 225 PHE CZ . 17485 1 1372 . 1 1 29 29 PHE N N 15 118.80 0.30 . 1 1 . . A 225 PHE N . 17485 1 1373 . 1 1 30 30 GLN H H 1 7.93 0.03 . 1 1 . . A 226 GLN H . 17485 1 1374 . 1 1 30 30 GLN HA H 1 4.29 0.03 . 1 1 . . A 226 GLN HA . 17485 1 1375 . 1 1 30 30 GLN HB2 H 1 1.97 0.03 . 2 1 . . A 226 GLN HB2 . 17485 1 1376 . 1 1 30 30 GLN HB3 H 1 2.06 0.03 . 2 1 . . A 226 GLN HB3 . 17485 1 1377 . 1 1 30 30 GLN HG2 H 1 2.28 0.03 . 2 1 . . A 226 GLN HG2 . 17485 1 1378 . 1 1 30 30 GLN HG3 H 1 2.37 0.03 . 2 1 . . A 226 GLN HG3 . 17485 1 1379 . 1 1 30 30 GLN HE21 H 1 6.82 0.03 . 2 1 . . A 226 GLN HE21 . 17485 1 1380 . 1 1 30 30 GLN HE22 H 1 7.50 0.03 . 2 1 . . A 226 GLN HE22 . 17485 1 1381 . 1 1 30 30 GLN C C 13 175.28 0.20 . 1 1 . . A 226 GLN C . 17485 1 1382 . 1 1 30 30 GLN CA C 13 55.66 0.20 . 1 1 . . A 226 GLN CA . 17485 1 1383 . 1 1 30 30 GLN CB C 13 29.77 0.20 . 1 1 . . A 226 GLN CB . 17485 1 1384 . 1 1 30 30 GLN CG C 13 33.97 0.20 . 1 1 . . A 226 GLN CG . 17485 1 1385 . 1 1 30 30 GLN N N 15 120.56 0.30 . 1 1 . . A 226 GLN N . 17485 1 1386 . 1 1 30 30 GLN NE2 N 15 112.25 0.30 . 1 1 . . A 226 GLN NE2 . 17485 1 1387 . 1 1 31 31 LEU H H 1 8.35 0.03 . 1 1 . . A 227 LEU H . 17485 1 1388 . 1 1 31 31 LEU HA H 1 4.57 0.03 . 1 1 . . A 227 LEU HA . 17485 1 1389 . 1 1 31 31 LEU HB2 H 1 1.58 0.03 . 2 1 . . A 227 LEU HB2 . 17485 1 1390 . 1 1 31 31 LEU HB3 H 1 1.68 0.03 . 2 1 . . A 227 LEU HB3 . 17485 1 1391 . 1 1 31 31 LEU HG H 1 1.78 0.03 . 1 1 . . A 227 LEU HG . 17485 1 1392 . 1 1 31 31 LEU HD11 H 1 0.94 0.03 . 2 1 . . A 227 LEU HD11 . 17485 1 1393 . 1 1 31 31 LEU HD12 H 1 0.94 0.03 . 2 1 . . A 227 LEU HD12 . 17485 1 1394 . 1 1 31 31 LEU HD13 H 1 0.94 0.03 . 2 1 . . A 227 LEU HD13 . 17485 1 1395 . 1 1 31 31 LEU HD21 H 1 0.92 0.03 . 2 1 . . A 227 LEU HD21 . 17485 1 1396 . 1 1 31 31 LEU HD22 H 1 0.92 0.03 . 2 1 . . A 227 LEU HD22 . 17485 1 1397 . 1 1 31 31 LEU HD23 H 1 0.92 0.03 . 2 1 . . A 227 LEU HD23 . 17485 1 1398 . 1 1 31 31 LEU CA C 13 53.31 0.20 . 1 1 . . A 227 LEU CA . 17485 1 1399 . 1 1 31 31 LEU CB C 13 41.86 0.20 . 1 1 . . A 227 LEU CB . 17485 1 1400 . 1 1 31 31 LEU CG C 13 26.80 0.20 . 1 1 . . A 227 LEU CG . 17485 1 1401 . 1 1 31 31 LEU CD1 C 13 25.86 0.20 . 2 1 . . A 227 LEU CD1 . 17485 1 1402 . 1 1 31 31 LEU CD2 C 13 23.77 0.20 . 2 1 . . A 227 LEU CD2 . 17485 1 1403 . 1 1 31 31 LEU N N 15 124.85 0.30 . 1 1 . . A 227 LEU N . 17485 1 1404 . 1 1 32 32 PRO HA H 1 4.37 0.03 . 1 1 . . A 228 PRO HA . 17485 1 1405 . 1 1 32 32 PRO HB2 H 1 1.89 0.03 . 2 1 . . A 228 PRO HB2 . 17485 1 1406 . 1 1 32 32 PRO HB3 H 1 2.29 0.03 . 2 1 . . A 228 PRO HB3 . 17485 1 1407 . 1 1 32 32 PRO HG3 H 1 2.01 0.03 . 2 1 . . A 228 PRO HG3 . 17485 1 1408 . 1 1 32 32 PRO HD2 H 1 3.65 0.03 . 2 1 . . A 228 PRO HD2 . 17485 1 1409 . 1 1 32 32 PRO HD3 H 1 3.84 0.03 . 2 1 . . A 228 PRO HD3 . 17485 1 1410 . 1 1 32 32 PRO C C 13 176.77 0.20 . 1 1 . . A 228 PRO C . 17485 1 1411 . 1 1 32 32 PRO CA C 13 63.68 0.20 . 1 1 . . A 228 PRO CA . 17485 1 1412 . 1 1 32 32 PRO CB C 13 32.15 0.20 . 1 1 . . A 228 PRO CB . 17485 1 1413 . 1 1 32 32 PRO CG C 13 27.38 0.20 . 1 1 . . A 228 PRO CG . 17485 1 1414 . 1 1 32 32 PRO CD C 13 50.93 0.20 . 1 1 . . A 228 PRO CD . 17485 1 1415 . 1 1 33 33 ASN H H 1 8.45 0.03 . 1 1 . . A 229 ASN H . 17485 1 1416 . 1 1 33 33 ASN HA H 1 4.60 0.03 . 1 1 . . A 229 ASN HA . 17485 1 1417 . 1 1 33 33 ASN HB3 H 1 2.79 0.03 . 2 1 . . A 229 ASN HB3 . 17485 1 1418 . 1 1 33 33 ASN HD21 H 1 6.87 0.03 . 2 1 . . A 229 ASN HD21 . 17485 1 1419 . 1 1 33 33 ASN HD22 H 1 7.83 0.03 . 2 1 . . A 229 ASN HD22 . 17485 1 1420 . 1 1 33 33 ASN C C 13 175.37 0.20 . 1 1 . . A 229 ASN C . 17485 1 1421 . 1 1 33 33 ASN CA C 13 53.64 0.20 . 1 1 . . A 229 ASN CA . 17485 1 1422 . 1 1 33 33 ASN CB C 13 38.85 0.20 . 1 1 . . A 229 ASN CB . 17485 1 1423 . 1 1 33 33 ASN N N 15 118.25 0.30 . 1 1 . . A 229 ASN N . 17485 1 1424 . 1 1 33 33 ASN ND2 N 15 113.70 0.30 . 1 1 . . A 229 ASN ND2 . 17485 1 1425 . 1 1 34 34 GLU H H 1 8.42 0.03 . 1 1 . . A 230 GLU H . 17485 1 1426 . 1 1 34 34 GLU HA H 1 4.28 0.03 . 1 1 . . A 230 GLU HA . 17485 1 1427 . 1 1 34 34 GLU HB2 H 1 1.97 0.03 . 2 1 . . A 230 GLU HB2 . 17485 1 1428 . 1 1 34 34 GLU HB3 H 1 2.06 0.03 . 2 1 . . A 230 GLU HB3 . 17485 1 1429 . 1 1 34 34 GLU HG3 H 1 2.25 0.03 . 2 1 . . A 230 GLU HG3 . 17485 1 1430 . 1 1 34 34 GLU C C 13 176.42 0.20 . 1 1 . . A 230 GLU C . 17485 1 1431 . 1 1 34 34 GLU CA C 13 56.99 0.20 . 1 1 . . A 230 GLU CA . 17485 1 1432 . 1 1 34 34 GLU CB C 13 30.15 0.20 . 1 1 . . A 230 GLU CB . 17485 1 1433 . 1 1 34 34 GLU CG C 13 36.35 0.20 . 1 1 . . A 230 GLU CG . 17485 1 1434 . 1 1 34 34 GLU N N 15 120.65 0.30 . 1 1 . . A 230 GLU N . 17485 1 1435 . 1 1 35 35 LEU H H 1 8.20 0.03 . 1 1 . . A 231 LEU H . 17485 1 1436 . 1 1 35 35 LEU HA H 1 4.39 0.03 . 1 1 . . A 231 LEU HA . 17485 1 1437 . 1 1 35 35 LEU HB2 H 1 1.61 0.03 . 2 1 . . A 231 LEU HB2 . 17485 1 1438 . 1 1 35 35 LEU HB3 H 1 1.69 0.03 . 2 1 . . A 231 LEU HB3 . 17485 1 1439 . 1 1 35 35 LEU HG H 1 1.61 0.03 . 1 1 . . A 231 LEU HG . 17485 1 1440 . 1 1 35 35 LEU HD11 H 1 0.92 0.03 . 2 1 . . A 231 LEU HD11 . 17485 1 1441 . 1 1 35 35 LEU HD12 H 1 0.92 0.03 . 2 1 . . A 231 LEU HD12 . 17485 1 1442 . 1 1 35 35 LEU HD13 H 1 0.92 0.03 . 2 1 . . A 231 LEU HD13 . 17485 1 1443 . 1 1 35 35 LEU HD21 H 1 0.86 0.03 . 2 1 . . A 231 LEU HD21 . 17485 1 1444 . 1 1 35 35 LEU HD22 H 1 0.86 0.03 . 2 1 . . A 231 LEU HD22 . 17485 1 1445 . 1 1 35 35 LEU HD23 H 1 0.86 0.03 . 2 1 . . A 231 LEU HD23 . 17485 1 1446 . 1 1 35 35 LEU C C 13 177.59 0.20 . 1 1 . . A 231 LEU C . 17485 1 1447 . 1 1 35 35 LEU CA C 13 55.40 0.20 . 1 1 . . A 231 LEU CA . 17485 1 1448 . 1 1 35 35 LEU CB C 13 42.33 0.20 . 1 1 . . A 231 LEU CB . 17485 1 1449 . 1 1 35 35 LEU CG C 13 27.19 0.20 . 1 1 . . A 231 LEU CG . 17485 1 1450 . 1 1 35 35 LEU CD1 C 13 25.16 0.20 . 2 1 . . A 231 LEU CD1 . 17485 1 1451 . 1 1 35 35 LEU CD2 C 13 23.56 0.20 . 2 1 . . A 231 LEU CD2 . 17485 1 1452 . 1 1 35 35 LEU N N 15 122.04 0.30 . 1 1 . . A 231 LEU N . 17485 1 1453 . 1 1 36 36 THR H H 1 8.04 0.03 . 1 1 . . A 232 THR H . 17485 1 1454 . 1 1 36 36 THR HA H 1 4.42 0.03 . 1 1 . . A 232 THR HA . 17485 1 1455 . 1 1 36 36 THR HB H 1 4.24 0.03 . 1 1 . . A 232 THR HB . 17485 1 1456 . 1 1 36 36 THR HG21 H 1 1.19 0.03 . 1 1 . . A 232 THR HG21 . 17485 1 1457 . 1 1 36 36 THR HG22 H 1 1.19 0.03 . 1 1 . . A 232 THR HG22 . 17485 1 1458 . 1 1 36 36 THR HG23 H 1 1.19 0.03 . 1 1 . . A 232 THR HG23 . 17485 1 1459 . 1 1 36 36 THR C C 13 174.41 0.20 . 1 1 . . A 232 THR C . 17485 1 1460 . 1 1 36 36 THR CA C 13 62.01 0.20 . 1 1 . . A 232 THR CA . 17485 1 1461 . 1 1 36 36 THR CB C 13 69.94 0.20 . 1 1 . . A 232 THR CB . 17485 1 1462 . 1 1 36 36 THR CG2 C 13 21.66 0.20 . 1 1 . . A 232 THR CG2 . 17485 1 1463 . 1 1 36 36 THR N N 15 114.16 0.30 . 1 1 . . A 232 THR N . 17485 1 1464 . 1 1 37 37 CYS H H 1 8.33 0.03 . 1 1 . . A 233 CYS H . 17485 1 1465 . 1 1 37 37 CYS HA H 1 4.59 0.03 . 1 1 . . A 233 CYS HA . 17485 1 1466 . 1 1 37 37 CYS HB3 H 1 2.94 0.03 . 2 1 . . A 233 CYS HB3 . 17485 1 1467 . 1 1 37 37 CYS C C 13 174.81 0.20 . 1 1 . . A 233 CYS C . 17485 1 1468 . 1 1 37 37 CYS CA C 13 58.57 0.20 . 1 1 . . A 233 CYS CA . 17485 1 1469 . 1 1 37 37 CYS CB C 13 28.04 0.20 . 1 1 . . A 233 CYS CB . 17485 1 1470 . 1 1 37 37 CYS N N 15 121.58 0.30 . 1 1 . . A 233 CYS N . 17485 1 1471 . 1 1 38 38 THR H H 1 8.35 0.03 . 1 1 . . A 234 THR H . 17485 1 1472 . 1 1 38 38 THR HA H 1 4.33 0.03 . 1 1 . . A 234 THR HA . 17485 1 1473 . 1 1 38 38 THR HB H 1 4.21 0.03 . 1 1 . . A 234 THR HB . 17485 1 1474 . 1 1 38 38 THR HG21 H 1 1.19 0.03 . 1 1 . . A 234 THR HG21 . 17485 1 1475 . 1 1 38 38 THR HG22 H 1 1.19 0.03 . 1 1 . . A 234 THR HG22 . 17485 1 1476 . 1 1 38 38 THR HG23 H 1 1.19 0.03 . 1 1 . . A 234 THR HG23 . 17485 1 1477 . 1 1 38 38 THR C C 13 174.60 0.20 . 1 1 . . A 234 THR C . 17485 1 1478 . 1 1 38 38 THR CA C 13 61.98 0.20 . 1 1 . . A 234 THR CA . 17485 1 1479 . 1 1 38 38 THR CB C 13 69.90 0.20 . 1 1 . . A 234 THR CB . 17485 1 1480 . 1 1 38 38 THR CG2 C 13 21.65 0.20 . 1 1 . . A 234 THR CG2 . 17485 1 1481 . 1 1 38 38 THR N N 15 116.90 0.30 . 1 1 . . A 234 THR N . 17485 1 1482 . 1 1 39 39 THR H H 1 8.08 0.03 . 1 1 . . A 235 THR H . 17485 1 1483 . 1 1 39 39 THR HA H 1 4.35 0.03 . 1 1 . . A 235 THR HA . 17485 1 1484 . 1 1 39 39 THR HB H 1 4.21 0.03 . 1 1 . . A 235 THR HB . 17485 1 1485 . 1 1 39 39 THR HG21 H 1 1.19 0.03 . 1 1 . . A 235 THR HG21 . 17485 1 1486 . 1 1 39 39 THR HG22 H 1 1.19 0.03 . 1 1 . . A 235 THR HG22 . 17485 1 1487 . 1 1 39 39 THR HG23 H 1 1.19 0.03 . 1 1 . . A 235 THR HG23 . 17485 1 1488 . 1 1 39 39 THR C C 13 173.87 0.20 . 1 1 . . A 235 THR C . 17485 1 1489 . 1 1 39 39 THR CA C 13 61.93 0.20 . 1 1 . . A 235 THR CA . 17485 1 1490 . 1 1 39 39 THR CB C 13 69.45 0.20 . 1 1 . . A 235 THR CB . 17485 1 1491 . 1 1 39 39 THR CG2 C 13 21.73 0.20 . 1 1 . . A 235 THR CG2 . 17485 1 1492 . 1 1 39 39 THR N N 15 116.52 0.30 . 1 1 . . A 235 THR N . 17485 1 1493 . 1 1 40 40 ALA H H 1 8.23 0.03 . 1 1 . . A 236 ALA H . 17485 1 1494 . 1 1 40 40 ALA HA H 1 4.32 0.03 . 1 1 . . A 236 ALA HA . 17485 1 1495 . 1 1 40 40 ALA HB1 H 1 1.34 0.03 . 1 1 . . A 236 ALA HB1 . 17485 1 1496 . 1 1 40 40 ALA HB2 H 1 1.34 0.03 . 1 1 . . A 236 ALA HB2 . 17485 1 1497 . 1 1 40 40 ALA HB3 H 1 1.34 0.03 . 1 1 . . A 236 ALA HB3 . 17485 1 1498 . 1 1 40 40 ALA C C 13 177.18 0.20 . 1 1 . . A 236 ALA C . 17485 1 1499 . 1 1 40 40 ALA CA C 13 52.26 0.20 . 1 1 . . A 236 ALA CA . 17485 1 1500 . 1 1 40 40 ALA CB C 13 19.42 0.20 . 1 1 . . A 236 ALA CB . 17485 1 1501 . 1 1 40 40 ALA N N 15 126.80 0.30 . 1 1 . . A 236 ALA N . 17485 1 1502 . 1 1 41 41 LEU H H 1 8.26 0.03 . 1 1 . . A 237 LEU H . 17485 1 1503 . 1 1 41 41 LEU HA H 1 4.58 0.03 . 1 1 . . A 237 LEU HA . 17485 1 1504 . 1 1 41 41 LEU HB2 H 1 1.57 0.03 . 2 1 . . A 237 LEU HB2 . 17485 1 1505 . 1 1 41 41 LEU HB3 H 1 1.68 0.03 . 2 1 . . A 237 LEU HB3 . 17485 1 1506 . 1 1 41 41 LEU HG H 1 1.69 0.03 . 1 1 . . A 237 LEU HG . 17485 1 1507 . 1 1 41 41 LEU HD11 H 1 0.93 0.03 . 2 1 . . A 237 LEU HD11 . 17485 1 1508 . 1 1 41 41 LEU HD12 H 1 0.93 0.03 . 2 1 . . A 237 LEU HD12 . 17485 1 1509 . 1 1 41 41 LEU HD13 H 1 0.93 0.03 . 2 1 . . A 237 LEU HD13 . 17485 1 1510 . 1 1 41 41 LEU HD21 H 1 0.91 0.03 . 2 1 . . A 237 LEU HD21 . 17485 1 1511 . 1 1 41 41 LEU HD22 H 1 0.91 0.03 . 2 1 . . A 237 LEU HD22 . 17485 1 1512 . 1 1 41 41 LEU HD23 H 1 0.91 0.03 . 2 1 . . A 237 LEU HD23 . 17485 1 1513 . 1 1 41 41 LEU CA C 13 53.05 0.20 . 1 1 . . A 237 LEU CA . 17485 1 1514 . 1 1 41 41 LEU CB C 13 41.60 0.20 . 1 1 . . A 237 LEU CB . 17485 1 1515 . 1 1 41 41 LEU CG C 13 26.21 0.20 . 1 1 . . A 237 LEU CG . 17485 1 1516 . 1 1 41 41 LEU CD2 C 13 23.61 0.20 . 2 1 . . A 237 LEU CD2 . 17485 1 1517 . 1 1 41 41 LEU N N 15 123.25 0.30 . 1 1 . . A 237 LEU N . 17485 1 1518 . 1 1 42 42 PRO HA H 1 4.39 0.03 . 1 1 . . A 238 PRO HA . 17485 1 1519 . 1 1 42 42 PRO HB2 H 1 1.93 0.03 . 2 1 . . A 238 PRO HB2 . 17485 1 1520 . 1 1 42 42 PRO HB3 H 1 2.30 0.03 . 2 1 . . A 238 PRO HB3 . 17485 1 1521 . 1 1 42 42 PRO HG3 H 1 2.03 0.03 . 2 1 . . A 238 PRO HG3 . 17485 1 1522 . 1 1 42 42 PRO HD2 H 1 3.65 0.03 . 2 1 . . A 238 PRO HD2 . 17485 1 1523 . 1 1 42 42 PRO HD3 H 1 3.84 0.03 . 2 1 . . A 238 PRO HD3 . 17485 1 1524 . 1 1 42 42 PRO C C 13 177.57 0.20 . 1 1 . . A 238 PRO C . 17485 1 1525 . 1 1 42 42 PRO CA C 13 63.46 0.20 . 1 1 . . A 238 PRO CA . 17485 1 1526 . 1 1 42 42 PRO CB C 13 32.17 0.20 . 1 1 . . A 238 PRO CB . 17485 1 1527 . 1 1 42 42 PRO CG C 13 27.64 0.20 . 1 1 . . A 238 PRO CG . 17485 1 1528 . 1 1 42 42 PRO CD C 13 50.73 0.20 . 1 1 . . A 238 PRO CD . 17485 1 1529 . 1 1 43 43 GLY H H 1 8.52 0.03 . 1 1 . . A 239 GLY H . 17485 1 1530 . 1 1 43 43 GLY HA3 H 1 3.99 0.03 . 2 1 . . A 239 GLY HA3 . 17485 1 1531 . 1 1 43 43 GLY C C 13 174.26 0.20 . 1 1 . . A 239 GLY C . 17485 1 1532 . 1 1 43 43 GLY CA C 13 45.29 0.20 . 1 1 . . A 239 GLY CA . 17485 1 1533 . 1 1 43 43 GLY N N 15 109.83 0.30 . 1 1 . . A 239 GLY N . 17485 1 1534 . 1 1 44 44 SER H H 1 8.12 0.03 . 1 1 . . A 240 SER H . 17485 1 1535 . 1 1 44 44 SER HA H 1 4.51 0.03 . 1 1 . . A 240 SER HA . 17485 1 1536 . 1 1 44 44 SER HB2 H 1 3.87 0.03 . 2 1 . . A 240 SER HB2 . 17485 1 1537 . 1 1 44 44 SER HB3 H 1 3.91 0.03 . 2 1 . . A 240 SER HB3 . 17485 1 1538 . 1 1 44 44 SER C C 13 173.74 0.20 . 1 1 . . A 240 SER C . 17485 1 1539 . 1 1 44 44 SER CA C 13 58.34 0.20 . 1 1 . . A 240 SER CA . 17485 1 1540 . 1 1 44 44 SER CB C 13 64.23 0.20 . 1 1 . . A 240 SER CB . 17485 1 1541 . 1 1 44 44 SER N N 15 115.67 0.30 . 1 1 . . A 240 SER N . 17485 1 1542 . 1 1 45 45 SER H H 1 8.02 0.03 . 1 1 . . A 241 SER H . 17485 1 1543 . 1 1 45 45 SER HA H 1 4.29 0.03 . 1 1 . . A 241 SER HA . 17485 1 1544 . 1 1 45 45 SER HB3 H 1 3.85 0.03 . 2 1 . . A 241 SER HB3 . 17485 1 1545 . 1 1 45 45 SER CA C 13 60.24 0.20 . 1 1 . . A 241 SER CA . 17485 1 1546 . 1 1 45 45 SER CB C 13 64.92 0.20 . 1 1 . . A 241 SER CB . 17485 1 1547 . 1 1 45 45 SER N N 15 122.90 0.30 . 1 1 . . A 241 SER N . 17485 1 stop_ save_