data_5576 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5576 _Entry.Title ; Sodium/potassium-transporting ATPase alpha-1 chain in complex with ATP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-11-06 _Entry.Accession_date 2002-11-06 _Entry.Last_release_date 2005-11-14 _Entry.Original_release_date 2005-11-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Hilge . . . 5576 2 G. Siegal . . . 5576 3 G. Vuister . W. . 5576 4 P. Guentert . . . 5576 5 S. Gloor . M. . 5576 6 J. Abrahams . P. . 5576 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5576 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1339 5576 '13C chemical shifts' 649 5576 '15N chemical shifts' 194 5576 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-11-14 2002-11-06 original author . 5576 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5577 'ATPase alpha-1 free form' 5576 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5576 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12730684 _Citation.Full_citation . _Citation.Title 'ATP-induced Conformational Changes of the Nucleotide-binding Domain of Na, K-ATPase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 6 _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 468 _Citation.Page_last 474 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Hilge . . . 5576 1 2 G. Siegal . . . 5576 1 3 G. Vuister . W. . 5576 1 4 P. Guntert . . . 5576 1 5 S. Gloor . M. . 5576 1 6 J. Abrahams . P. . 5576 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID six-stranded 5576 1 'twisted beta sheet' 5576 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ATPase_alpha_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ATPase_alpha_1 _Assembly.Entry_ID 5576 _Assembly.ID 1 _Assembly.Name nbd-min001 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID complex 5576 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Sodium/Potassium-Transporting ATPase alpha-1' 1 $ATPase . . . native . . . . . 5576 1 2 Adenosine-5'-triphosphate 2 $ATP . . . native . . . . . 5576 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1MO8 . . . . . . 5576 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID nbd-min001 system 5576 1 nbd-min001 abbreviation 5576 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ATPase _Entity.Sf_category entity _Entity.Sf_framecode ATPase _Entity.Entry_ID 5576 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SODIUM/POTASSIUM-TRANSPORTING ATPASE ALPHA-1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QNPMTVAHMWFDNQIHEADT TENQSGVSFDKTSATWFALS RIAGLCNRAVFQANQENLPI LKRAVAGDASESALLKCIEV CCGSVMEMREKYTKIVEIPF NSTNKYQLSIHKNPNASEPK HLLVMKGAPERILDRCSSIL LHGKEQPLDEELKDAFQNAY LELGGLGERVLGFCHLLLPD EQFPEGFQFDTDEVNFPVDN LCFVGLISMIDPP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 213 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5577 . ATPase . . . . . 100.00 213 100.00 100.00 9.27e-157 . . . . 5576 1 2 no PDB 1MO7 . Atpase . . . . . 100.00 213 100.00 100.00 9.27e-157 . . . . 5576 1 3 no PDB 1MO8 . Atpase . . . . . 100.00 213 100.00 100.00 9.27e-157 . . . . 5576 1 4 no DBJ BAE29635 . "unnamed protein product [Mus musculus]" . . . . . 100.00 790 98.59 99.53 7.02e-148 . . . . 5576 1 5 no DBJ BAE34957 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1023 98.12 99.53 1.69e-145 . . . . 5576 1 6 no EMBL CAA29306 . "sodium/potassium-transporting ATPase alpha-1 chain precursor [Rattus norvegicus]" . . . . . 100.00 1023 99.53 99.53 3.27e-147 . . . . 5576 1 7 no GB AAA40775 . "(Na+ and K+) ATPase, alpha catalytic subunit precursor [Rattus norvegicus]" . . . . . 100.00 1023 99.53 99.53 3.27e-147 . . . . 5576 1 8 no GB AAA41670 . "Na,K-ATPase alpha-1 subunit, partial [Rattus norvegicus]" . . . . . 81.22 243 98.84 98.84 1.39e-122 . . . . 5576 1 9 no GB AAA41671 . "Na,K-ATPase alpha-1 subunit [Rattus norvegicus]" . . . . . 100.00 1023 99.53 99.53 3.60e-147 . . . . 5576 1 10 no GB AAH10319 . "Atp1a1 protein, partial [Mus musculus]" . . . . . 100.00 982 98.59 99.53 2.87e-146 . . . . 5576 1 11 no GB AAH21496 . "ATPase, Na+/K+ transporting, alpha 1 polypeptide [Mus musculus]" . . . . . 100.00 1023 98.59 99.53 4.18e-146 . . . . 5576 1 12 no PRF 1309271A . "ATPase alpha1,Na/K" . . . . . 100.00 1022 99.53 99.53 4.17e-147 . . . . 5576 1 13 no REF NP_036636 . "sodium/potassium-transporting ATPase subunit alpha-1 precursor [Rattus norvegicus]" . . . . . 100.00 1023 99.53 99.53 3.27e-147 . . . . 5576 1 14 no REF NP_659149 . "sodium/potassium-transporting ATPase subunit alpha-1 precursor [Mus musculus]" . . . . . 100.00 1023 98.59 99.53 4.18e-146 . . . . 5576 1 15 no REF XP_005076578 . "PREDICTED: sodium/potassium-transporting ATPase subunit alpha-1 isoform X1 [Mesocricetus auratus]" . . . . . 100.00 1023 97.18 97.65 1.46e-143 . . . . 5576 1 16 no REF XP_005076579 . "PREDICTED: sodium/potassium-transporting ATPase subunit alpha-1 isoform X2 [Mesocricetus auratus]" . . . . . 100.00 992 97.18 97.65 9.30e-144 . . . . 5576 1 17 no REF XP_005357163 . "PREDICTED: sodium/potassium-transporting ATPase subunit alpha-1 [Microtus ochrogaster]" . . . . . 100.00 1023 98.12 98.59 2.87e-145 . . . . 5576 1 18 no SP P06685 . "RecName: Full=Sodium/potassium-transporting ATPase subunit alpha-1; Short=Na(+)/K(+) ATPase alpha-1 subunit; AltName: Full=Sodi" . . . . . 100.00 1023 99.53 99.53 3.27e-147 . . . . 5576 1 19 no SP Q8VDN2 . "RecName: Full=Sodium/potassium-transporting ATPase subunit alpha-1; Short=Na(+)/K(+) ATPase alpha-1 subunit; AltName: Full=Sodi" . . . . . 100.00 1023 98.59 99.53 4.18e-146 . . . . 5576 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SODIUM/POTASSIUM-TRANSPORTING ATPASE ALPHA-1' common 5576 1 'SODIUM PUMP, NA+/K+ ATPASE 1' variant 5576 1 ATPase abbreviation 5576 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 1 383 GLN . 5576 1 2 384 ASN . 5576 1 3 385 PRO . 5576 1 4 386 MET . 5576 1 5 387 THR . 5576 1 6 388 VAL . 5576 1 7 389 ALA . 5576 1 8 390 HIS . 5576 1 9 391 MET . 5576 1 10 392 TRP . 5576 1 11 393 PHE . 5576 1 12 394 ASP . 5576 1 13 395 ASN . 5576 1 14 396 GLN . 5576 1 15 397 ILE . 5576 1 16 398 HIS . 5576 1 17 399 GLU . 5576 1 18 400 ALA . 5576 1 19 401 ASP . 5576 1 20 402 THR . 5576 1 21 403 THR . 5576 1 22 404 GLU . 5576 1 23 405 ASN . 5576 1 24 406 GLN . 5576 1 25 407 SER . 5576 1 26 408 GLY . 5576 1 27 409 VAL . 5576 1 28 410 SER . 5576 1 29 411 PHE . 5576 1 30 412 ASP . 5576 1 31 413 LYS . 5576 1 32 414 THR . 5576 1 33 415 SER . 5576 1 34 416 ALA . 5576 1 35 417 THR . 5576 1 36 418 TRP . 5576 1 37 419 PHE . 5576 1 38 420 ALA . 5576 1 39 421 LEU . 5576 1 40 422 SER . 5576 1 41 423 ARG . 5576 1 42 424 ILE . 5576 1 43 425 ALA . 5576 1 44 426 GLY . 5576 1 45 427 LEU . 5576 1 46 428 CYS . 5576 1 47 429 ASN . 5576 1 48 430 ARG . 5576 1 49 431 ALA . 5576 1 50 432 VAL . 5576 1 51 433 PHE . 5576 1 52 434 GLN . 5576 1 53 435 ALA . 5576 1 54 436 ASN . 5576 1 55 437 GLN . 5576 1 56 438 GLU . 5576 1 57 439 ASN . 5576 1 58 440 LEU . 5576 1 59 441 PRO . 5576 1 60 442 ILE . 5576 1 61 443 LEU . 5576 1 62 444 LYS . 5576 1 63 445 ARG . 5576 1 64 446 ALA . 5576 1 65 447 VAL . 5576 1 66 448 ALA . 5576 1 67 449 GLY . 5576 1 68 450 ASP . 5576 1 69 451 ALA . 5576 1 70 452 SER . 5576 1 71 453 GLU . 5576 1 72 454 SER . 5576 1 73 455 ALA . 5576 1 74 456 LEU . 5576 1 75 457 LEU . 5576 1 76 458 LYS . 5576 1 77 459 CYS . 5576 1 78 460 ILE . 5576 1 79 461 GLU . 5576 1 80 462 VAL . 5576 1 81 463 CYS . 5576 1 82 464 CYS . 5576 1 83 465 GLY . 5576 1 84 466 SER . 5576 1 85 467 VAL . 5576 1 86 468 MET . 5576 1 87 469 GLU . 5576 1 88 470 MET . 5576 1 89 471 ARG . 5576 1 90 472 GLU . 5576 1 91 473 LYS . 5576 1 92 474 TYR . 5576 1 93 475 THR . 5576 1 94 476 LYS . 5576 1 95 477 ILE . 5576 1 96 478 VAL . 5576 1 97 479 GLU . 5576 1 98 480 ILE . 5576 1 99 481 PRO . 5576 1 100 482 PHE . 5576 1 101 483 ASN . 5576 1 102 484 SER . 5576 1 103 485 THR . 5576 1 104 486 ASN . 5576 1 105 487 LYS . 5576 1 106 488 TYR . 5576 1 107 489 GLN . 5576 1 108 490 LEU . 5576 1 109 491 SER . 5576 1 110 492 ILE . 5576 1 111 493 HIS . 5576 1 112 494 LYS . 5576 1 113 495 ASN . 5576 1 114 496 PRO . 5576 1 115 497 ASN . 5576 1 116 498 ALA . 5576 1 117 499 SER . 5576 1 118 500 GLU . 5576 1 119 501 PRO . 5576 1 120 502 LYS . 5576 1 121 503 HIS . 5576 1 122 504 LEU . 5576 1 123 505 LEU . 5576 1 124 506 VAL . 5576 1 125 507 MET . 5576 1 126 508 LYS . 5576 1 127 509 GLY . 5576 1 128 510 ALA . 5576 1 129 511 PRO . 5576 1 130 512 GLU . 5576 1 131 513 ARG . 5576 1 132 514 ILE . 5576 1 133 515 LEU . 5576 1 134 516 ASP . 5576 1 135 517 ARG . 5576 1 136 518 CYS . 5576 1 137 519 SER . 5576 1 138 520 SER . 5576 1 139 521 ILE . 5576 1 140 522 LEU . 5576 1 141 523 LEU . 5576 1 142 524 HIS . 5576 1 143 525 GLY . 5576 1 144 526 LYS . 5576 1 145 527 GLU . 5576 1 146 528 GLN . 5576 1 147 529 PRO . 5576 1 148 530 LEU . 5576 1 149 531 ASP . 5576 1 150 532 GLU . 5576 1 151 533 GLU . 5576 1 152 534 LEU . 5576 1 153 535 LYS . 5576 1 154 536 ASP . 5576 1 155 537 ALA . 5576 1 156 538 PHE . 5576 1 157 539 GLN . 5576 1 158 540 ASN . 5576 1 159 541 ALA . 5576 1 160 542 TYR . 5576 1 161 543 LEU . 5576 1 162 544 GLU . 5576 1 163 545 LEU . 5576 1 164 546 GLY . 5576 1 165 547 GLY . 5576 1 166 548 LEU . 5576 1 167 549 GLY . 5576 1 168 550 GLU . 5576 1 169 551 ARG . 5576 1 170 552 VAL . 5576 1 171 553 LEU . 5576 1 172 554 GLY . 5576 1 173 555 PHE . 5576 1 174 556 CYS . 5576 1 175 557 HIS . 5576 1 176 558 LEU . 5576 1 177 559 LEU . 5576 1 178 560 LEU . 5576 1 179 561 PRO . 5576 1 180 562 ASP . 5576 1 181 563 GLU . 5576 1 182 564 GLN . 5576 1 183 565 PHE . 5576 1 184 566 PRO . 5576 1 185 567 GLU . 5576 1 186 568 GLY . 5576 1 187 569 PHE . 5576 1 188 570 GLN . 5576 1 189 571 PHE . 5576 1 190 572 ASP . 5576 1 191 573 THR . 5576 1 192 574 ASP . 5576 1 193 575 GLU . 5576 1 194 576 VAL . 5576 1 195 577 ASN . 5576 1 196 578 PHE . 5576 1 197 579 PRO . 5576 1 198 580 VAL . 5576 1 199 581 ASP . 5576 1 200 582 ASN . 5576 1 201 583 LEU . 5576 1 202 584 CYS . 5576 1 203 585 PHE . 5576 1 204 586 VAL . 5576 1 205 587 GLY . 5576 1 206 588 LEU . 5576 1 207 589 ILE . 5576 1 208 590 SER . 5576 1 209 591 MET . 5576 1 210 592 ILE . 5576 1 211 593 ASP . 5576 1 212 594 PRO . 5576 1 213 595 PRO . 5576 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 . GLN 1 1 5576 1 . ASN 2 2 5576 1 . PRO 3 3 5576 1 . MET 4 4 5576 1 . THR 5 5 5576 1 . VAL 6 6 5576 1 . ALA 7 7 5576 1 . HIS 8 8 5576 1 . MET 9 9 5576 1 . TRP 10 10 5576 1 . PHE 11 11 5576 1 . ASP 12 12 5576 1 . ASN 13 13 5576 1 . GLN 14 14 5576 1 . ILE 15 15 5576 1 . HIS 16 16 5576 1 . GLU 17 17 5576 1 . ALA 18 18 5576 1 . ASP 19 19 5576 1 . THR 20 20 5576 1 . THR 21 21 5576 1 . GLU 22 22 5576 1 . ASN 23 23 5576 1 . GLN 24 24 5576 1 . SER 25 25 5576 1 . GLY 26 26 5576 1 . VAL 27 27 5576 1 . SER 28 28 5576 1 . PHE 29 29 5576 1 . ASP 30 30 5576 1 . LYS 31 31 5576 1 . THR 32 32 5576 1 . SER 33 33 5576 1 . ALA 34 34 5576 1 . THR 35 35 5576 1 . TRP 36 36 5576 1 . PHE 37 37 5576 1 . ALA 38 38 5576 1 . LEU 39 39 5576 1 . SER 40 40 5576 1 . ARG 41 41 5576 1 . ILE 42 42 5576 1 . ALA 43 43 5576 1 . GLY 44 44 5576 1 . LEU 45 45 5576 1 . CYS 46 46 5576 1 . ASN 47 47 5576 1 . ARG 48 48 5576 1 . ALA 49 49 5576 1 . VAL 50 50 5576 1 . PHE 51 51 5576 1 . GLN 52 52 5576 1 . ALA 53 53 5576 1 . ASN 54 54 5576 1 . GLN 55 55 5576 1 . GLU 56 56 5576 1 . ASN 57 57 5576 1 . LEU 58 58 5576 1 . PRO 59 59 5576 1 . ILE 60 60 5576 1 . LEU 61 61 5576 1 . LYS 62 62 5576 1 . ARG 63 63 5576 1 . ALA 64 64 5576 1 . VAL 65 65 5576 1 . ALA 66 66 5576 1 . GLY 67 67 5576 1 . ASP 68 68 5576 1 . ALA 69 69 5576 1 . SER 70 70 5576 1 . GLU 71 71 5576 1 . SER 72 72 5576 1 . ALA 73 73 5576 1 . LEU 74 74 5576 1 . LEU 75 75 5576 1 . LYS 76 76 5576 1 . CYS 77 77 5576 1 . ILE 78 78 5576 1 . GLU 79 79 5576 1 . VAL 80 80 5576 1 . CYS 81 81 5576 1 . CYS 82 82 5576 1 . GLY 83 83 5576 1 . SER 84 84 5576 1 . VAL 85 85 5576 1 . MET 86 86 5576 1 . GLU 87 87 5576 1 . MET 88 88 5576 1 . ARG 89 89 5576 1 . GLU 90 90 5576 1 . LYS 91 91 5576 1 . TYR 92 92 5576 1 . THR 93 93 5576 1 . LYS 94 94 5576 1 . ILE 95 95 5576 1 . VAL 96 96 5576 1 . GLU 97 97 5576 1 . ILE 98 98 5576 1 . PRO 99 99 5576 1 . PHE 100 100 5576 1 . ASN 101 101 5576 1 . SER 102 102 5576 1 . THR 103 103 5576 1 . ASN 104 104 5576 1 . LYS 105 105 5576 1 . TYR 106 106 5576 1 . GLN 107 107 5576 1 . LEU 108 108 5576 1 . SER 109 109 5576 1 . ILE 110 110 5576 1 . HIS 111 111 5576 1 . LYS 112 112 5576 1 . ASN 113 113 5576 1 . PRO 114 114 5576 1 . ASN 115 115 5576 1 . ALA 116 116 5576 1 . SER 117 117 5576 1 . GLU 118 118 5576 1 . PRO 119 119 5576 1 . LYS 120 120 5576 1 . HIS 121 121 5576 1 . LEU 122 122 5576 1 . LEU 123 123 5576 1 . VAL 124 124 5576 1 . MET 125 125 5576 1 . LYS 126 126 5576 1 . GLY 127 127 5576 1 . ALA 128 128 5576 1 . PRO 129 129 5576 1 . GLU 130 130 5576 1 . ARG 131 131 5576 1 . ILE 132 132 5576 1 . LEU 133 133 5576 1 . ASP 134 134 5576 1 . ARG 135 135 5576 1 . CYS 136 136 5576 1 . SER 137 137 5576 1 . SER 138 138 5576 1 . ILE 139 139 5576 1 . LEU 140 140 5576 1 . LEU 141 141 5576 1 . HIS 142 142 5576 1 . GLY 143 143 5576 1 . LYS 144 144 5576 1 . GLU 145 145 5576 1 . GLN 146 146 5576 1 . PRO 147 147 5576 1 . LEU 148 148 5576 1 . ASP 149 149 5576 1 . GLU 150 150 5576 1 . GLU 151 151 5576 1 . LEU 152 152 5576 1 . LYS 153 153 5576 1 . ASP 154 154 5576 1 . ALA 155 155 5576 1 . PHE 156 156 5576 1 . GLN 157 157 5576 1 . ASN 158 158 5576 1 . ALA 159 159 5576 1 . TYR 160 160 5576 1 . LEU 161 161 5576 1 . GLU 162 162 5576 1 . LEU 163 163 5576 1 . GLY 164 164 5576 1 . GLY 165 165 5576 1 . LEU 166 166 5576 1 . GLY 167 167 5576 1 . GLU 168 168 5576 1 . ARG 169 169 5576 1 . VAL 170 170 5576 1 . LEU 171 171 5576 1 . GLY 172 172 5576 1 . PHE 173 173 5576 1 . CYS 174 174 5576 1 . HIS 175 175 5576 1 . LEU 176 176 5576 1 . LEU 177 177 5576 1 . LEU 178 178 5576 1 . PRO 179 179 5576 1 . ASP 180 180 5576 1 . GLU 181 181 5576 1 . GLN 182 182 5576 1 . PHE 183 183 5576 1 . PRO 184 184 5576 1 . GLU 185 185 5576 1 . GLY 186 186 5576 1 . PHE 187 187 5576 1 . GLN 188 188 5576 1 . PHE 189 189 5576 1 . ASP 190 190 5576 1 . THR 191 191 5576 1 . ASP 192 192 5576 1 . GLU 193 193 5576 1 . VAL 194 194 5576 1 . ASN 195 195 5576 1 . PHE 196 196 5576 1 . PRO 197 197 5576 1 . VAL 198 198 5576 1 . ASP 199 199 5576 1 . ASN 200 200 5576 1 . LEU 201 201 5576 1 . CYS 202 202 5576 1 . PHE 203 203 5576 1 . VAL 204 204 5576 1 . GLY 205 205 5576 1 . LEU 206 206 5576 1 . ILE 207 207 5576 1 . SER 208 208 5576 1 . MET 209 209 5576 1 . ILE 210 210 5576 1 . ASP 211 211 5576 1 . PRO 212 212 5576 1 . PRO 213 213 5576 1 stop_ save_ save_ATP _Entity.Sf_category entity _Entity.Sf_framecode ATP _Entity.Entry_ID 5576 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ATP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ATP _Entity.Nonpolymer_comp_label $chem_comp_ATP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ATP . 5576 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 5576 _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 $ATPase . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 5576 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 5576 _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 $ATPase . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET23b . . . . . . 5576 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ATP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ATP _Chem_comp.Entry_ID 5576 _Chem_comp.ID ATP _Chem_comp.Provenance . _Chem_comp.Name ADENOSINE-5'-TRIPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ATP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ATP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H16 N5 O13 P3' _Chem_comp.Formula_weight 507.181 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1B0U _Chem_comp.Processing_site PDBE _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 13:54:12 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 5576 ATP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 5576 ATP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 5576 ATP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5576 ATP c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 5576 ATP InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 InChI InChI 1.03 5576 ATP ZKHQWZAMYRWXGA-KQYNXXCUSA-N InChIKey InChI 1.03 5576 ATP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'adenosine 5'-(tetrahydrogen triphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 5576 ATP '[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5576 ATP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PG . PG . . P . . N 0 . . . . no no . . . . 46.107 . 45.182 . 56.950 . 1.200 -0.226 -6.850 1 . 5576 ATP O1G . O1G . . O . . N 0 . . . . no no . . . . 45.779 . 46.330 . 56.052 . 1.740 1.140 -6.672 2 . 5576 ATP O2G . O2G . . O . . N 0 . . . . no no . . . . 47.382 . 44.497 . 56.626 . 2.123 -1.036 -7.891 3 . 5576 ATP O3G . O3G . . O . . N 0 . . . . no no . . . . 45.972 . 45.530 . 58.375 . -0.302 -0.139 -7.421 4 . 5576 ATP PB . PB . . P . . R 0 . . . . no no . . . . 43.911 . 43.740 . 55.655 . 0.255 -0.130 -4.446 5 . 5576 ATP O1B . O1B . . O . . N 0 . . . . no no . . . . 42.975 . 42.722 . 55.986 . 0.810 1.234 -4.304 6 . 5576 ATP O2B . O2B . . O . . N 0 . . . . no no . . . . 43.603 . 44.767 . 54.678 . -1.231 -0.044 -5.057 7 . 5576 ATP O3B . O3B . . O . . N 0 . . . . no no . . . . 45.041 . 44.015 . 56.738 . 1.192 -0.990 -5.433 8 . 5576 ATP PA . PA . . P . . R 0 . . . . no no . . . . 45.228 . 42.669 . 53.257 . -0.745 0.068 -2.071 9 . 5576 ATP O1A . O1A . . O . . N 0 . . . . no no . . . . 46.380 . 43.396 . 52.788 . -2.097 0.143 -2.669 10 . 5576 ATP O2A . O2A . . O . . N 0 . . . . no no . . . . 44.183 . 42.190 . 52.351 . -0.125 1.549 -1.957 11 . 5576 ATP O3A . O3A . . O . . N 0 . . . . no no . . . . 44.917 . 42.716 . 54.789 . 0.203 -0.840 -3.002 12 . 5576 ATP O5' . O5' . . O . . N 0 . . . . no no . . . . 46.172 . 41.568 . 53.302 . -0.844 -0.587 -0.604 13 . 5576 ATP C5' . C5' . . C . . N 0 . . . . no no . . . . 46.609 . 40.422 . 53.542 . -1.694 0.260 0.170 14 . 5576 ATP C4' . C4' . . C . . R 0 . . . . no no . . . . 46.520 . 38.989 . 53.364 . -1.831 -0.309 1.584 15 . 5576 ATP O4' . O4' . . O . . N 0 . . . . no no . . . . 46.785 . 38.908 . 51.948 . -0.542 -0.355 2.234 16 . 5576 ATP C3' . C3' . . C . . S 0 . . . . no no . . . . 47.808 . 38.874 . 54.112 . -2.683 0.630 2.465 17 . 5576 ATP O3' . O3' . . O . . N 0 . . . . no no . . . . 47.713 . 38.357 . 55.423 . -4.033 0.165 2.534 18 . 5576 ATP C2' . C2' . . C . . R 0 . . . . no no . . . . 48.719 . 38.116 . 53.139 . -2.011 0.555 3.856 19 . 5576 ATP O2' . O2' . . O . . N 0 . . . . no no . . . . 48.632 . 36.737 . 53.425 . -2.926 0.043 4.827 20 . 5576 ATP C1' . C1' . . C . . R 0 . . . . no no . . . . 48.133 . 38.409 . 51.721 . -0.830 -0.418 3.647 21 . 5576 ATP N9 . N9 . . N . . N 0 . . . . yes no . . . . 48.846 . 39.464 . 50.986 . 0.332 0.015 4.425 22 . 5576 ATP C8 . C8 . . C . . N 0 . . . . yes no . . . . 48.616 . 40.842 . 50.945 . 1.302 0.879 4.012 23 . 5576 ATP N7 . N7 . . N . . N 0 . . . . yes no . . . . 49.425 . 41.489 . 50.165 . 2.184 1.042 4.955 24 . 5576 ATP C5 . C5 . . C . . N 0 . . . . yes no . . . . 50.232 . 40.470 . 49.664 . 1.833 0.300 6.033 25 . 5576 ATP C6 . C6 . . C . . N 0 . . . . yes no . . . . 51.308 . 40.466 . 48.731 . 2.391 0.077 7.303 26 . 5576 ATP N6 . N6 . . N . . N 0 . . . . no no . . . . 51.721 . 41.568 . 48.129 . 3.564 0.706 7.681 27 . 5576 ATP N1 . N1 . . N . . N 0 . . . . yes no . . . . 51.912 . 39.274 . 48.447 . 1.763 -0.747 8.135 28 . 5576 ATP C2 . C2 . . C . . N 0 . . . . yes no . . . . 51.493 . 38.151 . 49.029 . 0.644 -1.352 7.783 29 . 5576 ATP N3 . N3 . . N . . N 0 . . . . yes no . . . . 50.491 . 38.016 . 49.900 . 0.088 -1.178 6.602 30 . 5576 ATP C4 . C4 . . C . . N 0 . . . . yes no . . . . 49.892 . 39.253 . 50.171 . 0.644 -0.371 5.704 31 . 5576 ATP HOG2 . HOG2 . . H . . N 0 . . . . no no . . . . 47.590 . 43.767 . 57.197 . 2.100 -0.546 -8.725 32 . 5576 ATP HOG3 . HOG3 . . H . . N 0 . . . . no no . . . . 46.180 . 44.800 . 58.946 . -0.616 -1.048 -7.522 33 . 5576 ATP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 44.228 . 45.447 . 54.456 . -1.554 -0.952 -5.132 34 . 5576 ATP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 43.423 . 41.710 . 52.660 . 0.752 1.455 -1.563 35 . 5576 ATP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 47.666 . 40.570 . 53.221 . -2.678 0.312 -0.296 36 . 5576 ATP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 46.587 . 40.459 . 54.656 . -1.263 1.259 0.221 37 . 5576 ATP H4' . H4' . . H . . N 0 . . . . no no . . . . 45.665 . 38.327 . 53.639 . -2.275 -1.304 1.550 38 . 5576 ATP H3' . H3' . . H . . N 0 . . . . no no . . . . 48.234 . 39.870 . 54.375 . -2.651 1.649 2.078 39 . 5576 ATP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 48.532 . 38.283 . 55.898 . -4.515 0.788 3.094 40 . 5576 ATP H2' . H2' . . H . . N 0 . . . . no no . . . . 49.788 . 38.422 . 53.212 . -1.646 1.537 4.157 41 . 5576 ATP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 49.196 . 36.267 . 52.822 . -3.667 0.662 4.867 42 . 5576 ATP H1' . H1' . . H . . N 0 . . . . no no . . . . 48.203 . 37.474 . 51.117 . -1.119 -1.430 3.931 43 . 5576 ATP H8 . H8 . . H . . N 0 . . . . no no . . . . 47.836 . 41.390 . 51.499 . 1.334 1.357 3.044 44 . 5576 ATP HN61 . HN61 . . H . . N 0 . . . . no no . . . . 52.491 . 41.565 . 47.460 . 3.938 0.548 8.562 45 . 5576 ATP HN62 . HN62 . . H . . N 0 . . . . no no . . . . 51.940 . 42.252 . 48.852 . 4.015 1.303 7.064 46 . 5576 ATP H2 . H2 . . H . . N 0 . . . . no no . . . . 52.036 . 37.229 . 48.759 . 0.166 -2.014 8.490 47 . 5576 ATP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G no N 1 . 5576 ATP 2 . SING PG O2G no N 2 . 5576 ATP 3 . SING PG O3G no N 3 . 5576 ATP 4 . SING PG O3B no N 4 . 5576 ATP 5 . SING O2G HOG2 no N 5 . 5576 ATP 6 . SING O3G HOG3 no N 6 . 5576 ATP 7 . DOUB PB O1B no N 7 . 5576 ATP 8 . SING PB O2B no N 8 . 5576 ATP 9 . SING PB O3B no N 9 . 5576 ATP 10 . SING PB O3A no N 10 . 5576 ATP 11 . SING O2B HOB2 no N 11 . 5576 ATP 12 . DOUB PA O1A no N 12 . 5576 ATP 13 . SING PA O2A no N 13 . 5576 ATP 14 . SING PA O3A no N 14 . 5576 ATP 15 . SING PA O5' no N 15 . 5576 ATP 16 . SING O2A HOA2 no N 16 . 5576 ATP 17 . SING O5' C5' no N 17 . 5576 ATP 18 . SING C5' C4' no N 18 . 5576 ATP 19 . SING C5' H5'1 no N 19 . 5576 ATP 20 . SING C5' H5'2 no N 20 . 5576 ATP 21 . SING C4' O4' no N 21 . 5576 ATP 22 . SING C4' C3' no N 22 . 5576 ATP 23 . SING C4' H4' no N 23 . 5576 ATP 24 . SING O4' C1' no N 24 . 5576 ATP 25 . SING C3' O3' no N 25 . 5576 ATP 26 . SING C3' C2' no N 26 . 5576 ATP 27 . SING C3' H3' no N 27 . 5576 ATP 28 . SING O3' HO3' no N 28 . 5576 ATP 29 . SING C2' O2' no N 29 . 5576 ATP 30 . SING C2' C1' no N 30 . 5576 ATP 31 . SING C2' H2' no N 31 . 5576 ATP 32 . SING O2' HO2' no N 32 . 5576 ATP 33 . SING C1' N9 no N 33 . 5576 ATP 34 . SING C1' H1' no N 34 . 5576 ATP 35 . SING N9 C8 yes N 35 . 5576 ATP 36 . SING N9 C4 yes N 36 . 5576 ATP 37 . DOUB C8 N7 yes N 37 . 5576 ATP 38 . SING C8 H8 no N 38 . 5576 ATP 39 . SING N7 C5 yes N 39 . 5576 ATP 40 . SING C5 C6 yes N 40 . 5576 ATP 41 . DOUB C5 C4 yes N 41 . 5576 ATP 42 . SING C6 N6 no N 42 . 5576 ATP 43 . DOUB C6 N1 yes N 43 . 5576 ATP 44 . SING N6 HN61 no N 44 . 5576 ATP 45 . SING N6 HN62 no N 45 . 5576 ATP 46 . SING N1 C2 yes N 46 . 5576 ATP 47 . DOUB C2 N3 yes N 47 . 5576 ATP 48 . SING C2 H2 no N 48 . 5576 ATP 49 . SING N3 C4 yes N 49 . 5576 ATP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5576 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SODIUM/POTASSIUM-TRANSPORTING ATPASE ALPHA-1' '[U-13C; U-15N]' . . 1 $ATPase . . 2 . . mM . . . . 5576 1 2 ADENOSINE-5'-TRIPHOSPHATE . . . 2 $ATP . . . . . mM . . . . 5576 1 3 Tris-HCl . . . . . . . 20 . . mM . . . . 5576 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 5576 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5576 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 8.6 . pH 5576 1 temperature 296 . K 5576 1 'ionic strength' 20 . mM 5576 1 pressure 1 . atm 5576 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5576 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.0 _Software.Details 'Delaglio, F. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5576 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5576 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.11 _Software.Details 'Bartels, C. et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5576 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 5576 _Software.ID 3 _Software.Name CYANA _Software.Version 1.0.5 _Software.Details http://www.guentert.com loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5576 3 stop_ save_ save_OPALp _Software.Sf_category software _Software.Sf_framecode OPALp _Software.Entry_ID 5576 _Software.ID 4 _Software.Name OPALp _Software.Version 1.0 _Software.Details 'Koradi, R., Billeter, M., Guentert, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5576 4 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 5576 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5576 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 5576 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 5576 _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 13C-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5576 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5576 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5576 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5576 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5576 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 5576 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 5576 1 C 13 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 5576 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5576 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5576 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN CA C 13 51.450 0.000 . . . . . . . . . . 5576 1 2 . 1 1 2 2 ASN HA H 1 4.936 0.000 . . . . . . . . . . 5576 1 3 . 1 1 2 2 ASN CB C 13 38.437 0.000 . . . . . . . . . . 5576 1 4 . 1 1 2 2 ASN HB2 H 1 2.644 0.000 . . . . . . . . . . 5576 1 5 . 1 1 2 2 ASN HB3 H 1 2.769 0.000 . . . . . . . . . . 5576 1 6 . 1 1 3 3 PRO CD C 13 50.479 0.000 . . . . . . . . . . 5576 1 7 . 1 1 3 3 PRO CA C 13 63.103 0.000 . . . . . . . . . . 5576 1 8 . 1 1 3 3 PRO HA H 1 4.398 0.000 . . . . . . . . . . 5576 1 9 . 1 1 3 3 PRO CB C 13 32.232 0.000 . . . . . . . . . . 5576 1 10 . 1 1 3 3 PRO HB2 H 1 1.910 0.000 . . . . . . . . . . 5576 1 11 . 1 1 3 3 PRO HB3 H 1 2.216 0.000 . . . . . . . . . . 5576 1 12 . 1 1 3 3 PRO CG C 13 27.372 0.000 . . . . . . . . . . 5576 1 13 . 1 1 3 3 PRO HG2 H 1 1.884 0.000 . . . . . . . . . . 5576 1 14 . 1 1 3 3 PRO HG3 H 1 2.004 0.000 . . . . . . . . . . 5576 1 15 . 1 1 3 3 PRO HD2 H 1 3.672 0.000 . . . . . . . . . . 5576 1 16 . 1 1 3 3 PRO HD3 H 1 3.770 0.000 . . . . . . . . . . 5576 1 17 . 1 1 4 4 MET N N 15 119.952 0.000 . . . . . . . . . . 5576 1 18 . 1 1 4 4 MET H H 1 8.284 0.000 . . . . . . . . . . 5576 1 19 . 1 1 4 4 MET HA H 1 4.796 0.000 . . . . . . . . . . 5576 1 20 . 1 1 4 4 MET CB C 13 36.301 0.000 . . . . . . . . . . 5576 1 21 . 1 1 4 4 MET HB2 H 1 1.791 0.000 . . . . . . . . . . 5576 1 22 . 1 1 4 4 MET CG C 13 32.805 0.000 . . . . . . . . . . 5576 1 23 . 1 1 4 4 MET HG2 H 1 2.429 0.000 . . . . . . . . . . 5576 1 24 . 1 1 4 4 MET HG3 H 1 2.473 0.000 . . . . . . . . . . 5576 1 25 . 1 1 4 4 MET HE1 H 1 1.894 0.000 . . . . . . . . . . 5576 1 26 . 1 1 4 4 MET HE2 H 1 1.894 0.000 . . . . . . . . . . 5576 1 27 . 1 1 4 4 MET HE3 H 1 1.894 0.000 . . . . . . . . . . 5576 1 28 . 1 1 4 4 MET CE C 13 17.655 0.000 . . . . . . . . . . 5576 1 29 . 1 1 5 5 THR N N 15 115.133 0.000 . . . . . . . . . . 5576 1 30 . 1 1 5 5 THR H H 1 8.213 0.000 . . . . . . . . . . 5576 1 31 . 1 1 5 5 THR CA C 13 60.772 0.000 . . . . . . . . . . 5576 1 32 . 1 1 5 5 THR HA H 1 4.697 0.006 . . . . . . . . . . 5576 1 33 . 1 1 5 5 THR CB C 13 72.133 0.000 . . . . . . . . . . 5576 1 34 . 1 1 5 5 THR HB H 1 3.838 0.000 . . . . . . . . . . 5576 1 35 . 1 1 5 5 THR HG21 H 1 1.192 0.000 . . . . . . . . . . 5576 1 36 . 1 1 5 5 THR HG22 H 1 1.192 0.000 . . . . . . . . . . 5576 1 37 . 1 1 5 5 THR HG23 H 1 1.192 0.000 . . . . . . . . . . 5576 1 38 . 1 1 5 5 THR CG2 C 13 21.437 0.000 . . . . . . . . . . 5576 1 39 . 1 1 6 6 VAL N N 15 127.663 0.000 . . . . . . . . . . 5576 1 40 . 1 1 6 6 VAL H H 1 8.920 0.000 . . . . . . . . . . 5576 1 41 . 1 1 6 6 VAL CA C 13 65.325 0.000 . . . . . . . . . . 5576 1 42 . 1 1 6 6 VAL HA H 1 3.896 0.001 . . . . . . . . . . 5576 1 43 . 1 1 6 6 VAL CB C 13 31.454 0.000 . . . . . . . . . . 5576 1 44 . 1 1 6 6 VAL HB H 1 1.889 0.000 . . . . . . . . . . 5576 1 45 . 1 1 6 6 VAL HG11 H 1 0.938 0.000 . . . . . . . . . . 5576 1 46 . 1 1 6 6 VAL HG12 H 1 0.938 0.000 . . . . . . . . . . 5576 1 47 . 1 1 6 6 VAL HG13 H 1 0.938 0.000 . . . . . . . . . . 5576 1 48 . 1 1 6 6 VAL HG21 H 1 0.855 0.000 . . . . . . . . . . 5576 1 49 . 1 1 6 6 VAL HG22 H 1 0.855 0.000 . . . . . . . . . . 5576 1 50 . 1 1 6 6 VAL HG23 H 1 0.855 0.000 . . . . . . . . . . 5576 1 51 . 1 1 6 6 VAL CG1 C 13 22.123 0.000 . . . . . . . . . . 5576 1 52 . 1 1 6 6 VAL CG2 C 13 23.285 0.008 . . . . . . . . . . 5576 1 53 . 1 1 7 7 ALA N N 15 130.072 0.000 . . . . . . . . . . 5576 1 54 . 1 1 7 7 ALA H H 1 9.018 0.000 . . . . . . . . . . 5576 1 55 . 1 1 7 7 ALA CA C 13 53.082 0.000 . . . . . . . . . . 5576 1 56 . 1 1 7 7 ALA HA H 1 4.544 0.000 . . . . . . . . . . 5576 1 57 . 1 1 7 7 ALA HB1 H 1 1.295 0.000 . . . . . . . . . . 5576 1 58 . 1 1 7 7 ALA HB2 H 1 1.295 0.000 . . . . . . . . . . 5576 1 59 . 1 1 7 7 ALA HB3 H 1 1.295 0.000 . . . . . . . . . . 5576 1 60 . 1 1 7 7 ALA CB C 13 22.936 0.000 . . . . . . . . . . 5576 1 61 . 1 1 8 8 HIS N N 15 114.940 0.000 . . . . . . . . . . 5576 1 62 . 1 1 8 8 HIS H H 1 7.831 0.000 . . . . . . . . . . 5576 1 63 . 1 1 8 8 HIS CA C 13 55.917 0.000 . . . . . . . . . . 5576 1 64 . 1 1 8 8 HIS HA H 1 5.602 0.000 . . . . . . . . . . 5576 1 65 . 1 1 8 8 HIS CB C 13 34.358 0.000 . . . . . . . . . . 5576 1 66 . 1 1 8 8 HIS HB2 H 1 3.156 0.000 . . . . . . . . . . 5576 1 67 . 1 1 8 8 HIS HB3 H 1 3.381 0.000 . . . . . . . . . . 5576 1 68 . 1 1 9 9 MET N N 15 115.808 0.000 . . . . . . . . . . 5576 1 69 . 1 1 9 9 MET H H 1 8.850 0.000 . . . . . . . . . . 5576 1 70 . 1 1 9 9 MET CA C 13 54.738 0.000 . . . . . . . . . . 5576 1 71 . 1 1 9 9 MET HA H 1 5.449 0.000 . . . . . . . . . . 5576 1 72 . 1 1 9 9 MET CB C 13 37.854 0.000 . . . . . . . . . . 5576 1 73 . 1 1 9 9 MET HB2 H 1 1.940 0.000 . . . . . . . . . . 5576 1 74 . 1 1 9 9 MET CG C 13 34.605 0.000 . . . . . . . . . . 5576 1 75 . 1 1 9 9 MET HG2 H 1 2.548 0.000 . . . . . . . . . . 5576 1 76 . 1 1 9 9 MET HG3 H 1 2.681 0.000 . . . . . . . . . . 5576 1 77 . 1 1 9 9 MET HE1 H 1 1.564 0.000 . . . . . . . . . . 5576 1 78 . 1 1 9 9 MET HE2 H 1 1.564 0.000 . . . . . . . . . . 5576 1 79 . 1 1 9 9 MET HE3 H 1 1.564 0.000 . . . . . . . . . . 5576 1 80 . 1 1 9 9 MET CE C 13 19.986 0.000 . . . . . . . . . . 5576 1 81 . 1 1 10 10 TRP N N 15 123.807 0.000 . . . . . . . . . . 5576 1 82 . 1 1 10 10 TRP H H 1 9.559 0.000 . . . . . . . . . . 5576 1 83 . 1 1 10 10 TRP CA C 13 57.276 0.000 . . . . . . . . . . 5576 1 84 . 1 1 10 10 TRP HA H 1 5.798 0.000 . . . . . . . . . . 5576 1 85 . 1 1 10 10 TRP CB C 13 32.028 0.000 . . . . . . . . . . 5576 1 86 . 1 1 10 10 TRP HB2 H 1 2.742 0.001 . . . . . . . . . . 5576 1 87 . 1 1 10 10 TRP HB3 H 1 3.420 0.001 . . . . . . . . . . 5576 1 88 . 1 1 10 10 TRP CD1 C 13 129.574 0.000 . . . . . . . . . . 5576 1 89 . 1 1 10 10 TRP CE3 C 13 120.019 0.000 . . . . . . . . . . 5576 1 90 . 1 1 10 10 TRP NE1 N 15 133.060 0.000 . . . . . . . . . . 5576 1 91 . 1 1 10 10 TRP HD1 H 1 6.905 0.009 . . . . . . . . . . 5576 1 92 . 1 1 10 10 TRP HE3 H 1 7.725 0.000 . . . . . . . . . . 5576 1 93 . 1 1 10 10 TRP CZ3 C 13 120.019 0.000 . . . . . . . . . . 5576 1 94 . 1 1 10 10 TRP CZ2 C 13 115.358 0.000 . . . . . . . . . . 5576 1 95 . 1 1 10 10 TRP HE1 H 1 10.665 0.008 . . . . . . . . . . 5576 1 96 . 1 1 10 10 TRP HZ3 H 1 7.187 0.000 . . . . . . . . . . 5576 1 97 . 1 1 10 10 TRP CH2 C 13 122.116 0.000 . . . . . . . . . . 5576 1 98 . 1 1 10 10 TRP HZ2 H 1 7.541 0.003 . . . . . . . . . . 5576 1 99 . 1 1 10 10 TRP HH2 H 1 6.979 0.000 . . . . . . . . . . 5576 1 100 . 1 1 11 11 PHE N N 15 119.567 0.000 . . . . . . . . . . 5576 1 101 . 1 1 11 11 PHE H H 1 7.921 0.000 . . . . . . . . . . 5576 1 102 . 1 1 11 11 PHE CA C 13 57.082 0.000 . . . . . . . . . . 5576 1 103 . 1 1 11 11 PHE HA H 1 4.488 0.000 . . . . . . . . . . 5576 1 104 . 1 1 11 11 PHE CB C 13 38.631 0.000 . . . . . . . . . . 5576 1 105 . 1 1 11 11 PHE HB2 H 1 3.048 0.000 . . . . . . . . . . 5576 1 106 . 1 1 11 11 PHE HB3 H 1 3.396 0.000 . . . . . . . . . . 5576 1 107 . 1 1 11 11 PHE HD1 H 1 6.660 0.000 . . . . . . . . . . 5576 1 108 . 1 1 11 11 PHE CD1 C 13 131.904 0.000 . . . . . . . . . . 5576 1 109 . 1 1 12 12 ASP N N 15 120.048 0.000 . . . . . . . . . . 5576 1 110 . 1 1 12 12 ASP H H 1 9.125 0.003 . . . . . . . . . . 5576 1 111 . 1 1 12 12 ASP CA C 13 56.951 0.000 . . . . . . . . . . 5576 1 112 . 1 1 12 12 ASP HA H 1 4.057 0.001 . . . . . . . . . . 5576 1 113 . 1 1 12 12 ASP CB C 13 38.440 0.000 . . . . . . . . . . 5576 1 114 . 1 1 12 12 ASP HB2 H 1 2.645 0.000 . . . . . . . . . . 5576 1 115 . 1 1 13 13 ASN N N 15 113.302 0.000 . . . . . . . . . . 5576 1 116 . 1 1 13 13 ASN H H 1 8.835 0.000 . . . . . . . . . . 5576 1 117 . 1 1 13 13 ASN CA C 13 52.421 0.000 . . . . . . . . . . 5576 1 118 . 1 1 13 13 ASN HA H 1 3.763 0.000 . . . . . . . . . . 5576 1 119 . 1 1 13 13 ASN CB C 13 37.660 0.000 . . . . . . . . . . 5576 1 120 . 1 1 13 13 ASN HB2 H 1 1.952 0.000 . . . . . . . . . . 5576 1 121 . 1 1 13 13 ASN HB3 H 1 3.341 0.000 . . . . . . . . . . 5576 1 122 . 1 1 13 13 ASN ND2 N 15 107.712 0.000 . . . . . . . . . . 5576 1 123 . 1 1 13 13 ASN HD21 H 1 6.571 0.000 . . . . . . . . . . 5576 1 124 . 1 1 13 13 ASN HD22 H 1 7.399 0.000 . . . . . . . . . . 5576 1 125 . 1 1 14 14 GLN N N 15 116.153 0.000 . . . . . . . . . . 5576 1 126 . 1 1 14 14 GLN H H 1 6.530 0.001 . . . . . . . . . . 5576 1 127 . 1 1 14 14 GLN CA C 13 54.751 0.000 . . . . . . . . . . 5576 1 128 . 1 1 14 14 GLN HA H 1 4.433 0.000 . . . . . . . . . . 5576 1 129 . 1 1 14 14 GLN CB C 13 32.610 0.000 . . . . . . . . . . 5576 1 130 . 1 1 14 14 GLN HB2 H 1 1.428 0.000 . . . . . . . . . . 5576 1 131 . 1 1 14 14 GLN HB3 H 1 1.583 0.000 . . . . . . . . . . 5576 1 132 . 1 1 14 14 GLN CG C 13 32.999 0.000 . . . . . . . . . . 5576 1 133 . 1 1 14 14 GLN HG2 H 1 1.739 0.000 . . . . . . . . . . 5576 1 134 . 1 1 14 14 GLN HG3 H 1 1.850 0.000 . . . . . . . . . . 5576 1 135 . 1 1 15 15 ILE N N 15 123.133 0.000 . . . . . . . . . . 5576 1 136 . 1 1 15 15 ILE H H 1 8.399 0.001 . . . . . . . . . . 5576 1 137 . 1 1 15 15 ILE HA H 1 4.825 0.000 . . . . . . . . . . 5576 1 138 . 1 1 15 15 ILE CB C 13 37.466 0.000 . . . . . . . . . . 5576 1 139 . 1 1 15 15 ILE HB H 1 1.823 0.000 . . . . . . . . . . 5576 1 140 . 1 1 15 15 ILE HG21 H 1 0.843 0.000 . . . . . . . . . . 5576 1 141 . 1 1 15 15 ILE HG22 H 1 0.843 0.000 . . . . . . . . . . 5576 1 142 . 1 1 15 15 ILE HG23 H 1 0.843 0.000 . . . . . . . . . . 5576 1 143 . 1 1 15 15 ILE CG2 C 13 17.850 0.000 . . . . . . . . . . 5576 1 144 . 1 1 15 15 ILE CG1 C 13 29.137 0.000 . . . . . . . . . . 5576 1 145 . 1 1 15 15 ILE HG12 H 1 1.102 0.000 . . . . . . . . . . 5576 1 146 . 1 1 15 15 ILE HG13 H 1 1.911 0.000 . . . . . . . . . . 5576 1 147 . 1 1 15 15 ILE HD11 H 1 0.759 0.000 . . . . . . . . . . 5576 1 148 . 1 1 15 15 ILE HD12 H 1 0.759 0.000 . . . . . . . . . . 5576 1 149 . 1 1 15 15 ILE HD13 H 1 0.759 0.000 . . . . . . . . . . 5576 1 150 . 1 1 15 15 ILE CD1 C 13 12.023 0.000 . . . . . . . . . . 5576 1 151 . 1 1 16 16 HIS N N 15 128.723 0.000 . . . . . . . . . . 5576 1 152 . 1 1 16 16 HIS H H 1 9.380 0.000 . . . . . . . . . . 5576 1 153 . 1 1 16 16 HIS HA H 1 4.783 0.012 . . . . . . . . . . 5576 1 154 . 1 1 16 16 HIS CB C 13 34.164 0.000 . . . . . . . . . . 5576 1 155 . 1 1 16 16 HIS HB2 H 1 2.548 0.000 . . . . . . . . . . 5576 1 156 . 1 1 16 16 HIS HB3 H 1 2.974 0.000 . . . . . . . . . . 5576 1 157 . 1 1 17 17 GLU N N 15 123.229 0.000 . . . . . . . . . . 5576 1 158 . 1 1 17 17 GLU H H 1 9.022 0.001 . . . . . . . . . . 5576 1 159 . 1 1 17 17 GLU CA C 13 55.722 0.000 . . . . . . . . . . 5576 1 160 . 1 1 17 17 GLU HA H 1 4.451 0.000 . . . . . . . . . . 5576 1 161 . 1 1 17 17 GLU CB C 13 31.639 0.000 . . . . . . . . . . 5576 1 162 . 1 1 17 17 GLU HB2 H 1 1.957 0.000 . . . . . . . . . . 5576 1 163 . 1 1 17 17 GLU HB3 H 1 2.021 0.000 . . . . . . . . . . 5576 1 164 . 1 1 17 17 GLU CG C 13 36.689 0.000 . . . . . . . . . . 5576 1 165 . 1 1 17 17 GLU HG2 H 1 2.241 0.000 . . . . . . . . . . 5576 1 166 . 1 1 18 18 ALA N N 15 125.542 0.000 . . . . . . . . . . 5576 1 167 . 1 1 18 18 ALA H H 1 7.393 0.001 . . . . . . . . . . 5576 1 168 . 1 1 18 18 ALA CA C 13 51.450 0.000 . . . . . . . . . . 5576 1 169 . 1 1 18 18 ALA HA H 1 3.953 0.000 . . . . . . . . . . 5576 1 170 . 1 1 18 18 ALA HB1 H 1 0.998 0.000 . . . . . . . . . . 5576 1 171 . 1 1 18 18 ALA HB2 H 1 0.998 0.000 . . . . . . . . . . 5576 1 172 . 1 1 18 18 ALA HB3 H 1 0.998 0.000 . . . . . . . . . . 5576 1 173 . 1 1 18 18 ALA CB C 13 20.375 0.000 . . . . . . . . . . 5576 1 174 . 1 1 19 19 ASP N N 15 120.627 0.000 . . . . . . . . . . 5576 1 175 . 1 1 19 19 ASP H H 1 8.044 0.000 . . . . . . . . . . 5576 1 176 . 1 1 19 19 ASP CA C 13 53.669 0.000 . . . . . . . . . . 5576 1 177 . 1 1 19 19 ASP HA H 1 4.703 0.000 . . . . . . . . . . 5576 1 178 . 1 1 19 19 ASP CB C 13 40.962 0.000 . . . . . . . . . . 5576 1 179 . 1 1 19 19 ASP HB2 H 1 2.455 0.000 . . . . . . . . . . 5576 1 180 . 1 1 19 19 ASP HB3 H 1 2.718 0.001 . . . . . . . . . . 5576 1 181 . 1 1 20 20 THR N N 15 116.097 0.000 . . . . . . . . . . 5576 1 182 . 1 1 20 20 THR H H 1 8.457 0.001 . . . . . . . . . . 5576 1 183 . 1 1 20 20 THR CA C 13 60.966 0.000 . . . . . . . . . . 5576 1 184 . 1 1 20 20 THR HA H 1 4.327 0.000 . . . . . . . . . . 5576 1 185 . 1 1 20 20 THR CB C 13 68.929 0.000 . . . . . . . . . . 5576 1 186 . 1 1 20 20 THR HB H 1 4.445 0.000 . . . . . . . . . . 5576 1 187 . 1 1 20 20 THR HG21 H 1 1.132 0.000 . . . . . . . . . . 5576 1 188 . 1 1 20 20 THR HG22 H 1 1.132 0.000 . . . . . . . . . . 5576 1 189 . 1 1 20 20 THR HG23 H 1 1.132 0.000 . . . . . . . . . . 5576 1 190 . 1 1 20 20 THR CG2 C 13 21.734 0.000 . . . . . . . . . . 5576 1 191 . 1 1 21 21 THR N N 15 115.036 0.000 . . . . . . . . . . 5576 1 192 . 1 1 21 21 THR H H 1 8.205 0.000 . . . . . . . . . . 5576 1 193 . 1 1 21 21 THR CA C 13 62.520 0.000 . . . . . . . . . . 5576 1 194 . 1 1 21 21 THR HA H 1 4.256 0.000 . . . . . . . . . . 5576 1 195 . 1 1 21 21 THR CB C 13 70.483 0.000 . . . . . . . . . . 5576 1 196 . 1 1 21 21 THR HB H 1 4.290 0.000 . . . . . . . . . . 5576 1 197 . 1 1 21 21 THR HG21 H 1 1.236 0.000 . . . . . . . . . . 5576 1 198 . 1 1 21 21 THR HG22 H 1 1.236 0.000 . . . . . . . . . . 5576 1 199 . 1 1 21 21 THR HG23 H 1 1.236 0.000 . . . . . . . . . . 5576 1 200 . 1 1 21 21 THR CG2 C 13 22.048 0.000 . . . . . . . . . . 5576 1 201 . 1 1 26 26 GLY CA C 13 45.040 0.000 . . . . . . . . . . 5576 1 202 . 1 1 26 26 GLY HA2 H 1 3.732 0.000 . . . . . . . . . . 5576 1 203 . 1 1 26 26 GLY HA3 H 1 4.024 0.001 . . . . . . . . . . 5576 1 204 . 1 1 27 27 VAL N N 15 118.314 0.000 . . . . . . . . . . 5576 1 205 . 1 1 27 27 VAL H H 1 7.940 0.000 . . . . . . . . . . 5576 1 206 . 1 1 27 27 VAL CA C 13 61.549 0.000 . . . . . . . . . . 5576 1 207 . 1 1 27 27 VAL HA H 1 4.215 0.001 . . . . . . . . . . 5576 1 208 . 1 1 27 27 VAL CB C 13 32.999 0.000 . . . . . . . . . . 5576 1 209 . 1 1 27 27 VAL HB H 1 1.846 0.000 . . . . . . . . . . 5576 1 210 . 1 1 27 27 VAL HG11 H 1 0.773 0.001 . . . . . . . . . . 5576 1 211 . 1 1 27 27 VAL HG12 H 1 0.773 0.001 . . . . . . . . . . 5576 1 212 . 1 1 27 27 VAL HG13 H 1 0.773 0.001 . . . . . . . . . . 5576 1 213 . 1 1 27 27 VAL HG21 H 1 0.619 0.001 . . . . . . . . . . 5576 1 214 . 1 1 27 27 VAL HG22 H 1 0.619 0.001 . . . . . . . . . . 5576 1 215 . 1 1 27 27 VAL HG23 H 1 0.619 0.001 . . . . . . . . . . 5576 1 216 . 1 1 27 27 VAL CG1 C 13 21.346 0.000 . . . . . . . . . . 5576 1 217 . 1 1 27 27 VAL CG2 C 13 19.403 0.000 . . . . . . . . . . 5576 1 218 . 1 1 28 28 SER CA C 13 58.451 0.000 . . . . . . . . . . 5576 1 219 . 1 1 28 28 SER HA H 1 4.451 0.000 . . . . . . . . . . 5576 1 220 . 1 1 28 28 SER CB C 13 63.880 0.000 . . . . . . . . . . 5576 1 221 . 1 1 28 28 SER HB2 H 1 3.791 0.000 . . . . . . . . . . 5576 1 222 . 1 1 28 28 SER HB3 H 1 3.894 0.000 . . . . . . . . . . 5576 1 223 . 1 1 29 29 PHE N N 15 121.976 0.000 . . . . . . . . . . 5576 1 224 . 1 1 29 29 PHE H H 1 7.516 0.000 . . . . . . . . . . 5576 1 225 . 1 1 29 29 PHE CA C 13 55.917 0.000 . . . . . . . . . . 5576 1 226 . 1 1 29 29 PHE HA H 1 4.635 0.000 . . . . . . . . . . 5576 1 227 . 1 1 29 29 PHE CB C 13 39.991 0.000 . . . . . . . . . . 5576 1 228 . 1 1 29 29 PHE HB2 H 1 2.710 0.000 . . . . . . . . . . 5576 1 229 . 1 1 29 29 PHE HB3 H 1 2.946 0.001 . . . . . . . . . . 5576 1 230 . 1 1 29 29 PHE HD1 H 1 6.678 0.000 . . . . . . . . . . 5576 1 231 . 1 1 29 29 PHE HE1 H 1 6.049 0.000 . . . . . . . . . . 5576 1 232 . 1 1 29 29 PHE CD1 C 13 131.671 0.000 . . . . . . . . . . 5576 1 233 . 1 1 29 29 PHE CE1 C 13 130.273 0.000 . . . . . . . . . . 5576 1 234 . 1 1 29 29 PHE CZ C 13 129.108 0.000 . . . . . . . . . . 5576 1 235 . 1 1 29 29 PHE HZ H 1 5.575 0.001 . . . . . . . . . . 5576 1 236 . 1 1 31 31 LYS CA C 13 57.470 0.000 . . . . . . . . . . 5576 1 237 . 1 1 31 31 LYS HA H 1 4.100 0.000 . . . . . . . . . . 5576 1 238 . 1 1 31 31 LYS CB C 13 32.222 0.000 . . . . . . . . . . 5576 1 239 . 1 1 31 31 LYS HB2 H 1 1.719 0.000 . . . . . . . . . . 5576 1 240 . 1 1 31 31 LYS CG C 13 24.647 0.000 . . . . . . . . . . 5576 1 241 . 1 1 31 31 LYS HG2 H 1 1.278 0.000 . . . . . . . . . . 5576 1 242 . 1 1 32 32 THR N N 15 111.374 0.000 . . . . . . . . . . 5576 1 243 . 1 1 32 32 THR H H 1 8.500 0.000 . . . . . . . . . . 5576 1 244 . 1 1 32 32 THR CA C 13 62.326 0.000 . . . . . . . . . . 5576 1 245 . 1 1 32 32 THR HA H 1 4.395 0.000 . . . . . . . . . . 5576 1 246 . 1 1 32 32 THR CB C 13 69.512 0.000 . . . . . . . . . . 5576 1 247 . 1 1 32 32 THR HB H 1 4.401 0.001 . . . . . . . . . . 5576 1 248 . 1 1 32 32 THR HG21 H 1 1.217 0.000 . . . . . . . . . . 5576 1 249 . 1 1 32 32 THR HG22 H 1 1.217 0.000 . . . . . . . . . . 5576 1 250 . 1 1 32 32 THR HG23 H 1 1.217 0.000 . . . . . . . . . . 5576 1 251 . 1 1 32 32 THR CG2 C 13 21.734 0.000 . . . . . . . . . . 5576 1 252 . 1 1 33 33 SER N N 15 118.217 0.000 . . . . . . . . . . 5576 1 253 . 1 1 33 33 SER H H 1 7.459 0.000 . . . . . . . . . . 5576 1 254 . 1 1 33 33 SER CA C 13 58.442 0.000 . . . . . . . . . . 5576 1 255 . 1 1 33 33 SER HA H 1 4.399 0.000 . . . . . . . . . . 5576 1 256 . 1 1 33 33 SER CB C 13 63.880 0.000 . . . . . . . . . . 5576 1 257 . 1 1 33 33 SER HB2 H 1 3.741 0.000 . . . . . . . . . . 5576 1 258 . 1 1 33 33 SER HB3 H 1 3.947 0.001 . . . . . . . . . . 5576 1 259 . 1 1 34 34 ALA CA C 13 54.946 0.000 . . . . . . . . . . 5576 1 260 . 1 1 34 34 ALA HA H 1 4.208 0.000 . . . . . . . . . . 5576 1 261 . 1 1 34 34 ALA HB1 H 1 1.461 0.000 . . . . . . . . . . 5576 1 262 . 1 1 34 34 ALA HB2 H 1 1.461 0.000 . . . . . . . . . . 5576 1 263 . 1 1 34 34 ALA HB3 H 1 1.461 0.000 . . . . . . . . . . 5576 1 264 . 1 1 34 34 ALA CB C 13 18.844 0.000 . . . . . . . . . . 5576 1 265 . 1 1 35 35 THR N N 15 119.663 0.000 . . . . . . . . . . 5576 1 266 . 1 1 35 35 THR H H 1 9.180 0.001 . . . . . . . . . . 5576 1 267 . 1 1 35 35 THR CA C 13 65.603 0.000 . . . . . . . . . . 5576 1 268 . 1 1 35 35 THR HA H 1 3.785 0.000 . . . . . . . . . . 5576 1 269 . 1 1 35 35 THR CB C 13 67.078 0.000 . . . . . . . . . . 5576 1 270 . 1 1 35 35 THR HB H 1 4.027 0.001 . . . . . . . . . . 5576 1 271 . 1 1 35 35 THR HG21 H 1 1.125 0.000 . . . . . . . . . . 5576 1 272 . 1 1 35 35 THR HG22 H 1 1.125 0.000 . . . . . . . . . . 5576 1 273 . 1 1 35 35 THR HG23 H 1 1.125 0.000 . . . . . . . . . . 5576 1 274 . 1 1 35 35 THR CG2 C 13 25.618 0.000 . . . . . . . . . . 5576 1 275 . 1 1 36 36 TRP N N 15 122.458 0.000 . . . . . . . . . . 5576 1 276 . 1 1 36 36 TRP H H 1 7.619 0.000 . . . . . . . . . . 5576 1 277 . 1 1 36 36 TRP CA C 13 58.247 0.000 . . . . . . . . . . 5576 1 278 . 1 1 36 36 TRP HA H 1 3.703 0.000 . . . . . . . . . . 5576 1 279 . 1 1 36 36 TRP CB C 13 28.920 0.000 . . . . . . . . . . 5576 1 280 . 1 1 36 36 TRP HB2 H 1 2.733 0.000 . . . . . . . . . . 5576 1 281 . 1 1 36 36 TRP HB3 H 1 3.038 0.000 . . . . . . . . . . 5576 1 282 . 1 1 36 36 TRP CD1 C 13 127.010 0.000 . . . . . . . . . . 5576 1 283 . 1 1 36 36 TRP CE3 C 13 122.116 0.000 . . . . . . . . . . 5576 1 284 . 1 1 36 36 TRP NE1 N 15 127.470 0.000 . . . . . . . . . . 5576 1 285 . 1 1 36 36 TRP HD1 H 1 7.469 0.000 . . . . . . . . . . 5576 1 286 . 1 1 36 36 TRP HE3 H 1 6.500 0.000 . . . . . . . . . . 5576 1 287 . 1 1 36 36 TRP CZ3 C 13 120.252 0.000 . . . . . . . . . . 5576 1 288 . 1 1 36 36 TRP CZ2 C 13 114.368 0.101 . . . . . . . . . . 5576 1 289 . 1 1 36 36 TRP HE1 H 1 9.092 0.000 . . . . . . . . . . 5576 1 290 . 1 1 36 36 TRP HZ3 H 1 6.370 0.000 . . . . . . . . . . 5576 1 291 . 1 1 36 36 TRP CH2 C 13 123.049 0.000 . . . . . . . . . . 5576 1 292 . 1 1 36 36 TRP HZ2 H 1 7.169 0.000 . . . . . . . . . . 5576 1 293 . 1 1 36 36 TRP HH2 H 1 6.561 0.000 . . . . . . . . . . 5576 1 294 . 1 1 37 37 PHE N N 15 122.844 0.000 . . . . . . . . . . 5576 1 295 . 1 1 37 37 PHE H H 1 8.074 0.000 . . . . . . . . . . 5576 1 296 . 1 1 37 37 PHE CA C 13 61.743 0.000 . . . . . . . . . . 5576 1 297 . 1 1 37 37 PHE HA H 1 3.406 0.001 . . . . . . . . . . 5576 1 298 . 1 1 37 37 PHE CB C 13 37.524 0.000 . . . . . . . . . . 5576 1 299 . 1 1 37 37 PHE HB2 H 1 3.176 0.001 . . . . . . . . . . 5576 1 300 . 1 1 37 37 PHE HB3 H 1 3.221 0.001 . . . . . . . . . . 5576 1 301 . 1 1 37 37 PHE HD1 H 1 7.080 0.000 . . . . . . . . . . 5576 1 302 . 1 1 37 37 PHE HE1 H 1 7.212 0.000 . . . . . . . . . . 5576 1 303 . 1 1 37 37 PHE CD1 C 13 131.671 0.000 . . . . . . . . . . 5576 1 304 . 1 1 37 37 PHE CE1 C 13 131.438 0.000 . . . . . . . . . . 5576 1 305 . 1 1 37 37 PHE CZ C 13 128.642 0.000 . . . . . . . . . . 5576 1 306 . 1 1 37 37 PHE HZ H 1 6.839 0.000 . . . . . . . . . . 5576 1 307 . 1 1 38 38 ALA N N 15 119.856 0.000 . . . . . . . . . . 5576 1 308 . 1 1 38 38 ALA H H 1 7.025 0.000 . . . . . . . . . . 5576 1 309 . 1 1 38 38 ALA CA C 13 54.363 0.000 . . . . . . . . . . 5576 1 310 . 1 1 38 38 ALA HA H 1 3.666 0.001 . . . . . . . . . . 5576 1 311 . 1 1 38 38 ALA HB1 H 1 1.343 0.000 . . . . . . . . . . 5576 1 312 . 1 1 38 38 ALA HB2 H 1 1.343 0.000 . . . . . . . . . . 5576 1 313 . 1 1 38 38 ALA HB3 H 1 1.343 0.000 . . . . . . . . . . 5576 1 314 . 1 1 38 38 ALA CB C 13 18.627 0.000 . . . . . . . . . . 5576 1 315 . 1 1 39 39 LEU N N 15 121.741 0.000 . . . . . . . . . . 5576 1 316 . 1 1 39 39 LEU H H 1 8.232 0.000 . . . . . . . . . . 5576 1 317 . 1 1 39 39 LEU CA C 13 57.492 0.000 . . . . . . . . . . 5576 1 318 . 1 1 39 39 LEU HA H 1 3.448 0.000 . . . . . . . . . . 5576 1 319 . 1 1 39 39 LEU CB C 13 41.156 0.000 . . . . . . . . . . 5576 1 320 . 1 1 39 39 LEU HB2 H 1 0.780 0.000 . . . . . . . . . . 5576 1 321 . 1 1 39 39 LEU HB3 H 1 1.207 0.000 . . . . . . . . . . 5576 1 322 . 1 1 39 39 LEU HD11 H 1 0.211 0.000 . . . . . . . . . . 5576 1 323 . 1 1 39 39 LEU HD12 H 1 0.211 0.000 . . . . . . . . . . 5576 1 324 . 1 1 39 39 LEU HD13 H 1 0.211 0.000 . . . . . . . . . . 5576 1 325 . 1 1 39 39 LEU HD21 H 1 0.590 0.001 . . . . . . . . . . 5576 1 326 . 1 1 39 39 LEU HD22 H 1 0.590 0.001 . . . . . . . . . . 5576 1 327 . 1 1 39 39 LEU HD23 H 1 0.590 0.001 . . . . . . . . . . 5576 1 328 . 1 1 39 39 LEU CD1 C 13 22.759 0.000 . . . . . . . . . . 5576 1 329 . 1 1 39 39 LEU CD2 C 13 26.395 0.000 . . . . . . . . . . 5576 1 330 . 1 1 40 40 SER N N 15 114.362 0.000 . . . . . . . . . . 5576 1 331 . 1 1 40 40 SER H H 1 7.891 0.000 . . . . . . . . . . 5576 1 332 . 1 1 40 40 SER CA C 13 60.578 0.000 . . . . . . . . . . 5576 1 333 . 1 1 40 40 SER HA H 1 2.785 0.000 . . . . . . . . . . 5576 1 334 . 1 1 40 40 SER CB C 13 61.937 0.000 . . . . . . . . . . 5576 1 335 . 1 1 40 40 SER HB2 H 1 1.830 0.000 . . . . . . . . . . 5576 1 336 . 1 1 40 40 SER HB3 H 1 2.980 0.000 . . . . . . . . . . 5576 1 337 . 1 1 41 41 ARG N N 15 122.940 0.000 . . . . . . . . . . 5576 1 338 . 1 1 41 41 ARG H H 1 6.549 0.000 . . . . . . . . . . 5576 1 339 . 1 1 41 41 ARG CA C 13 58.830 0.000 . . . . . . . . . . 5576 1 340 . 1 1 41 41 ARG HA H 1 3.764 0.000 . . . . . . . . . . 5576 1 341 . 1 1 41 41 ARG CB C 13 30.280 0.000 . . . . . . . . . . 5576 1 342 . 1 1 41 41 ARG HB2 H 1 1.032 0.000 . . . . . . . . . . 5576 1 343 . 1 1 41 41 ARG HB3 H 1 1.507 0.000 . . . . . . . . . . 5576 1 344 . 1 1 41 41 ARG CD C 13 42.710 0.000 . . . . . . . . . . 5576 1 345 . 1 1 41 41 ARG HD2 H 1 1.980 0.001 . . . . . . . . . . 5576 1 346 . 1 1 41 41 ARG HD3 H 1 2.279 0.000 . . . . . . . . . . 5576 1 347 . 1 1 42 42 ILE N N 15 119.181 0.000 . . . . . . . . . . 5576 1 348 . 1 1 42 42 ILE H H 1 7.260 0.000 . . . . . . . . . . 5576 1 349 . 1 1 42 42 ILE CA C 13 66.492 0.000 . . . . . . . . . . 5576 1 350 . 1 1 42 42 ILE HA H 1 3.235 0.001 . . . . . . . . . . 5576 1 351 . 1 1 42 42 ILE CB C 13 38.631 0.000 . . . . . . . . . . 5576 1 352 . 1 1 42 42 ILE HB H 1 1.668 0.000 . . . . . . . . . . 5576 1 353 . 1 1 42 42 ILE HG21 H 1 1.265 0.000 . . . . . . . . . . 5576 1 354 . 1 1 42 42 ILE HG22 H 1 1.265 0.000 . . . . . . . . . . 5576 1 355 . 1 1 42 42 ILE HG23 H 1 1.265 0.000 . . . . . . . . . . 5576 1 356 . 1 1 42 42 ILE CG2 C 13 21.994 0.000 . . . . . . . . . . 5576 1 357 . 1 1 42 42 ILE CG1 C 13 28.532 0.000 . . . . . . . . . . 5576 1 358 . 1 1 42 42 ILE HG12 H 1 0.991 0.000 . . . . . . . . . . 5576 1 359 . 1 1 42 42 ILE HG13 H 1 2.027 0.000 . . . . . . . . . . 5576 1 360 . 1 1 42 42 ILE HD11 H 1 0.636 0.001 . . . . . . . . . . 5576 1 361 . 1 1 42 42 ILE HD12 H 1 0.636 0.001 . . . . . . . . . . 5576 1 362 . 1 1 42 42 ILE HD13 H 1 0.636 0.001 . . . . . . . . . . 5576 1 363 . 1 1 42 42 ILE CD1 C 13 15.593 0.000 . . . . . . . . . . 5576 1 364 . 1 1 43 43 ALA N N 15 118.795 0.000 . . . . . . . . . . 5576 1 365 . 1 1 43 43 ALA H H 1 7.980 0.000 . . . . . . . . . . 5576 1 366 . 1 1 43 43 ALA CA C 13 54.751 0.000 . . . . . . . . . . 5576 1 367 . 1 1 43 43 ALA HA H 1 3.892 0.001 . . . . . . . . . . 5576 1 368 . 1 1 43 43 ALA HB1 H 1 0.844 0.001 . . . . . . . . . . 5576 1 369 . 1 1 43 43 ALA HB2 H 1 0.844 0.001 . . . . . . . . . . 5576 1 370 . 1 1 43 43 ALA HB3 H 1 0.844 0.001 . . . . . . . . . . 5576 1 371 . 1 1 43 43 ALA CB C 13 18.044 0.000 . . . . . . . . . . 5576 1 372 . 1 1 44 44 GLY N N 15 102.603 0.000 . . . . . . . . . . 5576 1 373 . 1 1 44 44 GLY H H 1 8.042 0.000 . . . . . . . . . . 5576 1 374 . 1 1 44 44 GLY CA C 13 46.067 0.000 . . . . . . . . . . 5576 1 375 . 1 1 44 44 GLY HA2 H 1 3.399 0.000 . . . . . . . . . . 5576 1 376 . 1 1 44 44 GLY HA3 H 1 3.594 0.000 . . . . . . . . . . 5576 1 377 . 1 1 45 45 LEU N N 15 119.374 0.000 . . . . . . . . . . 5576 1 378 . 1 1 45 45 LEU H H 1 8.095 0.000 . . . . . . . . . . 5576 1 379 . 1 1 45 45 LEU CA C 13 56.305 0.000 . . . . . . . . . . 5576 1 380 . 1 1 45 45 LEU HA H 1 4.165 0.000 . . . . . . . . . . 5576 1 381 . 1 1 45 45 LEU CB C 13 43.194 0.000 . . . . . . . . . . 5576 1 382 . 1 1 45 45 LEU HB2 H 1 0.594 0.000 . . . . . . . . . . 5576 1 383 . 1 1 45 45 LEU HB3 H 1 1.376 0.000 . . . . . . . . . . 5576 1 384 . 1 1 45 45 LEU CG C 13 25.424 0.000 . . . . . . . . . . 5576 1 385 . 1 1 45 45 LEU HG H 1 1.564 0.000 . . . . . . . . . . 5576 1 386 . 1 1 45 45 LEU HD11 H 1 -0.386 0.000 . . . . . . . . . . 5576 1 387 . 1 1 45 45 LEU HD12 H 1 -0.386 0.000 . . . . . . . . . . 5576 1 388 . 1 1 45 45 LEU HD13 H 1 -0.386 0.000 . . . . . . . . . . 5576 1 389 . 1 1 45 45 LEU HD21 H 1 0.547 0.000 . . . . . . . . . . 5576 1 390 . 1 1 45 45 LEU HD22 H 1 0.547 0.000 . . . . . . . . . . 5576 1 391 . 1 1 45 45 LEU HD23 H 1 0.547 0.000 . . . . . . . . . . 5576 1 392 . 1 1 45 45 LEU CD1 C 13 24.842 0.000 . . . . . . . . . . 5576 1 393 . 1 1 45 45 LEU CD2 C 13 23.133 0.000 . . . . . . . . . . 5576 1 394 . 1 1 46 46 CYS N N 15 121.880 0.000 . . . . . . . . . . 5576 1 395 . 1 1 46 46 CYS H H 1 8.601 0.000 . . . . . . . . . . 5576 1 396 . 1 1 46 46 CYS HA H 1 4.765 0.000 . . . . . . . . . . 5576 1 397 . 1 1 46 46 CYS CB C 13 24.477 0.000 . . . . . . . . . . 5576 1 398 . 1 1 46 46 CYS HB2 H 1 2.565 0.007 . . . . . . . . . . 5576 1 399 . 1 1 46 46 CYS HB3 H 1 2.884 0.001 . . . . . . . . . . 5576 1 400 . 1 1 47 47 ASN N N 15 119.952 0.000 . . . . . . . . . . 5576 1 401 . 1 1 47 47 ASN H H 1 7.546 0.000 . . . . . . . . . . 5576 1 402 . 1 1 47 47 ASN HB2 H 1 2.418 0.000 . . . . . . . . . . 5576 1 403 . 1 1 47 47 ASN HB3 H 1 2.506 0.000 . . . . . . . . . . 5576 1 404 . 1 1 47 47 ASN ND2 N 15 105.976 0.000 . . . . . . . . . . 5576 1 405 . 1 1 47 47 ASN HD21 H 1 6.246 0.000 . . . . . . . . . . 5576 1 406 . 1 1 47 47 ASN HD22 H 1 7.322 0.000 . . . . . . . . . . 5576 1 407 . 1 1 48 48 ARG N N 15 125.928 0.000 . . . . . . . . . . 5576 1 408 . 1 1 48 48 ARG H H 1 9.151 0.001 . . . . . . . . . . 5576 1 409 . 1 1 48 48 ARG CA C 13 55.488 0.000 . . . . . . . . . . 5576 1 410 . 1 1 48 48 ARG HA H 1 4.313 0.000 . . . . . . . . . . 5576 1 411 . 1 1 48 48 ARG CB C 13 31.445 0.000 . . . . . . . . . . 5576 1 412 . 1 1 48 48 ARG HB2 H 1 1.710 0.000 . . . . . . . . . . 5576 1 413 . 1 1 48 48 ARG HB3 H 1 2.135 0.001 . . . . . . . . . . 5576 1 414 . 1 1 48 48 ARG CG C 13 28.143 0.000 . . . . . . . . . . 5576 1 415 . 1 1 48 48 ARG HG2 H 1 1.557 0.000 . . . . . . . . . . 5576 1 416 . 1 1 48 48 ARG HG3 H 1 1.652 0.001 . . . . . . . . . . 5576 1 417 . 1 1 48 48 ARG CD C 13 43.487 0.000 . . . . . . . . . . 5576 1 418 . 1 1 48 48 ARG HD2 H 1 3.316 0.000 . . . . . . . . . . 5576 1 419 . 1 1 49 49 ALA N N 15 126.892 0.000 . . . . . . . . . . 5576 1 420 . 1 1 49 49 ALA H H 1 8.667 0.000 . . . . . . . . . . 5576 1 421 . 1 1 49 49 ALA CA C 13 52.615 0.000 . . . . . . . . . . 5576 1 422 . 1 1 49 49 ALA HA H 1 4.709 0.000 . . . . . . . . . . 5576 1 423 . 1 1 49 49 ALA HB1 H 1 1.161 0.000 . . . . . . . . . . 5576 1 424 . 1 1 49 49 ALA HB2 H 1 1.161 0.000 . . . . . . . . . . 5576 1 425 . 1 1 49 49 ALA HB3 H 1 1.161 0.000 . . . . . . . . . . 5576 1 426 . 1 1 49 49 ALA CB C 13 18.627 0.000 . . . . . . . . . . 5576 1 427 . 1 1 50 50 VAL N N 15 113.398 0.000 . . . . . . . . . . 5576 1 428 . 1 1 50 50 VAL H H 1 7.985 0.000 . . . . . . . . . . 5576 1 429 . 1 1 50 50 VAL CA C 13 58.830 0.000 . . . . . . . . . . 5576 1 430 . 1 1 50 50 VAL HA H 1 4.401 0.000 . . . . . . . . . . 5576 1 431 . 1 1 50 50 VAL CB C 13 35.974 0.000 . . . . . . . . . . 5576 1 432 . 1 1 50 50 VAL HB H 1 2.192 0.001 . . . . . . . . . . 5576 1 433 . 1 1 50 50 VAL HG11 H 1 0.862 0.000 . . . . . . . . . . 5576 1 434 . 1 1 50 50 VAL HG12 H 1 0.862 0.000 . . . . . . . . . . 5576 1 435 . 1 1 50 50 VAL HG13 H 1 0.862 0.000 . . . . . . . . . . 5576 1 436 . 1 1 50 50 VAL HG21 H 1 0.793 0.001 . . . . . . . . . . 5576 1 437 . 1 1 50 50 VAL HG22 H 1 0.793 0.001 . . . . . . . . . . 5576 1 438 . 1 1 50 50 VAL HG23 H 1 0.793 0.001 . . . . . . . . . . 5576 1 439 . 1 1 50 50 VAL CG1 C 13 22.394 0.000 . . . . . . . . . . 5576 1 440 . 1 1 50 50 VAL CG2 C 13 18.238 0.000 . . . . . . . . . . 5576 1 441 . 1 1 51 51 PHE N N 15 120.530 0.000 . . . . . . . . . . 5576 1 442 . 1 1 51 51 PHE H H 1 8.388 0.000 . . . . . . . . . . 5576 1 443 . 1 1 51 51 PHE CA C 13 59.413 0.000 . . . . . . . . . . 5576 1 444 . 1 1 51 51 PHE HA H 1 4.670 0.000 . . . . . . . . . . 5576 1 445 . 1 1 51 51 PHE CB C 13 39.589 0.000 . . . . . . . . . . 5576 1 446 . 1 1 51 51 PHE HB2 H 1 2.842 0.000 . . . . . . . . . . 5576 1 447 . 1 1 51 51 PHE HB3 H 1 3.073 0.001 . . . . . . . . . . 5576 1 448 . 1 1 51 51 PHE HD1 H 1 7.287 0.002 . . . . . . . . . . 5576 1 449 . 1 1 51 51 PHE HE1 H 1 6.839 0.000 . . . . . . . . . . 5576 1 450 . 1 1 51 51 PHE CD1 C 13 132.604 0.000 . . . . . . . . . . 5576 1 451 . 1 1 51 51 PHE CE1 C 13 128.642 0.000 . . . . . . . . . . 5576 1 452 . 1 1 51 51 PHE CZ C 13 130.972 0.000 . . . . . . . . . . 5576 1 453 . 1 1 51 51 PHE HZ H 1 7.176 0.000 . . . . . . . . . . 5576 1 454 . 1 1 52 52 GLN N N 15 120.916 0.000 . . . . . . . . . . 5576 1 455 . 1 1 52 52 GLN H H 1 8.167 0.001 . . . . . . . . . . 5576 1 456 . 1 1 52 52 GLN CA C 13 56.288 0.000 . . . . . . . . . . 5576 1 457 . 1 1 52 52 GLN HA H 1 4.303 0.000 . . . . . . . . . . 5576 1 458 . 1 1 52 52 GLN CB C 13 29.097 0.000 . . . . . . . . . . 5576 1 459 . 1 1 52 52 GLN HB2 H 1 1.637 0.001 . . . . . . . . . . 5576 1 460 . 1 1 52 52 GLN HB3 H 1 2.225 0.000 . . . . . . . . . . 5576 1 461 . 1 1 52 52 GLN CG C 13 33.776 0.000 . . . . . . . . . . 5576 1 462 . 1 1 52 52 GLN HG2 H 1 2.167 0.001 . . . . . . . . . . 5576 1 463 . 1 1 52 52 GLN HG3 H 1 2.225 0.001 . . . . . . . . . . 5576 1 464 . 1 1 52 52 GLN NE2 N 15 111.470 0.000 . . . . . . . . . . 5576 1 465 . 1 1 52 52 GLN HE21 H 1 6.887 0.000 . . . . . . . . . . 5576 1 466 . 1 1 52 52 GLN HE22 H 1 7.127 0.000 . . . . . . . . . . 5576 1 467 . 1 1 55 55 GLN N N 15 116.386 0.000 . . . . . . . . . . 5576 1 468 . 1 1 55 55 GLN H H 1 8.425 0.000 . . . . . . . . . . 5576 1 469 . 1 1 55 55 GLN CA C 13 54.557 0.000 . . . . . . . . . . 5576 1 470 . 1 1 55 55 GLN HA H 1 4.552 0.000 . . . . . . . . . . 5576 1 471 . 1 1 55 55 GLN CB C 13 30.474 0.000 . . . . . . . . . . 5576 1 472 . 1 1 55 55 GLN HB2 H 1 1.736 0.000 . . . . . . . . . . 5576 1 473 . 1 1 55 55 GLN HB3 H 1 2.348 0.000 . . . . . . . . . . 5576 1 474 . 1 1 55 55 GLN CG C 13 34.747 0.000 . . . . . . . . . . 5576 1 475 . 1 1 55 55 GLN HG2 H 1 2.094 0.000 . . . . . . . . . . 5576 1 476 . 1 1 55 55 GLN HG3 H 1 2.348 0.000 . . . . . . . . . . 5576 1 477 . 1 1 56 56 GLU N N 15 119.374 0.000 . . . . . . . . . . 5576 1 478 . 1 1 56 56 GLU H H 1 9.097 0.000 . . . . . . . . . . 5576 1 479 . 1 1 56 56 GLU CA C 13 59.995 0.000 . . . . . . . . . . 5576 1 480 . 1 1 56 56 GLU HA H 1 3.681 0.000 . . . . . . . . . . 5576 1 481 . 1 1 56 56 GLU HB2 H 1 1.955 0.004 . . . . . . . . . . 5576 1 482 . 1 1 56 56 GLU HB3 H 1 2.289 0.000 . . . . . . . . . . 5576 1 483 . 1 1 57 57 ASN CA C 13 53.198 0.000 . . . . . . . . . . 5576 1 484 . 1 1 57 57 ASN HA H 1 4.601 0.000 . . . . . . . . . . 5576 1 485 . 1 1 57 57 ASN CB C 13 37.854 0.000 . . . . . . . . . . 5576 1 486 . 1 1 57 57 ASN HB2 H 1 2.700 0.000 . . . . . . . . . . 5576 1 487 . 1 1 57 57 ASN HB3 H 1 2.773 0.000 . . . . . . . . . . 5576 1 488 . 1 1 58 58 LEU N N 15 122.844 0.000 . . . . . . . . . . 5576 1 489 . 1 1 58 58 LEU H H 1 7.617 0.000 . . . . . . . . . . 5576 1 490 . 1 1 58 58 LEU CA C 13 52.446 0.000 . . . . . . . . . . 5576 1 491 . 1 1 58 58 LEU HA H 1 4.670 0.000 . . . . . . . . . . 5576 1 492 . 1 1 58 58 LEU CB C 13 42.557 0.013 . . . . . . . . . . 5576 1 493 . 1 1 58 58 LEU HB2 H 1 1.168 0.000 . . . . . . . . . . 5576 1 494 . 1 1 58 58 LEU HB3 H 1 1.655 0.000 . . . . . . . . . . 5576 1 495 . 1 1 58 58 LEU CG C 13 26.978 0.000 . . . . . . . . . . 5576 1 496 . 1 1 58 58 LEU HG H 1 1.532 0.000 . . . . . . . . . . 5576 1 497 . 1 1 58 58 LEU HD11 H 1 0.863 0.000 . . . . . . . . . . 5576 1 498 . 1 1 58 58 LEU HD12 H 1 0.863 0.000 . . . . . . . . . . 5576 1 499 . 1 1 58 58 LEU HD13 H 1 0.863 0.000 . . . . . . . . . . 5576 1 500 . 1 1 58 58 LEU HD21 H 1 0.806 0.001 . . . . . . . . . . 5576 1 501 . 1 1 58 58 LEU HD22 H 1 0.806 0.001 . . . . . . . . . . 5576 1 502 . 1 1 58 58 LEU HD23 H 1 0.806 0.001 . . . . . . . . . . 5576 1 503 . 1 1 58 58 LEU CD1 C 13 25.884 0.000 . . . . . . . . . . 5576 1 504 . 1 1 58 58 LEU CD2 C 13 23.288 0.000 . . . . . . . . . . 5576 1 505 . 1 1 59 59 PRO CD C 13 50.673 0.000 . . . . . . . . . . 5576 1 506 . 1 1 59 59 PRO CA C 13 62.714 0.000 . . . . . . . . . . 5576 1 507 . 1 1 59 59 PRO HA H 1 4.397 0.000 . . . . . . . . . . 5576 1 508 . 1 1 59 59 PRO CB C 13 32.028 0.000 . . . . . . . . . . 5576 1 509 . 1 1 59 59 PRO HB2 H 1 1.718 0.000 . . . . . . . . . . 5576 1 510 . 1 1 59 59 PRO HB3 H 1 2.374 0.000 . . . . . . . . . . 5576 1 511 . 1 1 59 59 PRO CG C 13 27.949 0.000 . . . . . . . . . . 5576 1 512 . 1 1 59 59 PRO HG2 H 1 1.968 0.000 . . . . . . . . . . 5576 1 513 . 1 1 59 59 PRO HG3 H 1 2.013 0.000 . . . . . . . . . . 5576 1 514 . 1 1 59 59 PRO HD2 H 1 3.338 0.000 . . . . . . . . . . 5576 1 515 . 1 1 59 59 PRO HD3 H 1 3.887 0.000 . . . . . . . . . . 5576 1 516 . 1 1 60 60 ILE N N 15 124.386 0.000 . . . . . . . . . . 5576 1 517 . 1 1 60 60 ILE H H 1 8.725 0.000 . . . . . . . . . . 5576 1 518 . 1 1 60 60 ILE CA C 13 66.016 0.000 . . . . . . . . . . 5576 1 519 . 1 1 60 60 ILE HA H 1 2.918 0.000 . . . . . . . . . . 5576 1 520 . 1 1 60 60 ILE CB C 13 38.049 0.000 . . . . . . . . . . 5576 1 521 . 1 1 60 60 ILE HB H 1 1.622 0.000 . . . . . . . . . . 5576 1 522 . 1 1 60 60 ILE HG21 H 1 0.896 0.000 . . . . . . . . . . 5576 1 523 . 1 1 60 60 ILE HG22 H 1 0.896 0.000 . . . . . . . . . . 5576 1 524 . 1 1 60 60 ILE HG23 H 1 0.896 0.000 . . . . . . . . . . 5576 1 525 . 1 1 60 60 ILE CG2 C 13 18.659 0.000 . . . . . . . . . . 5576 1 526 . 1 1 60 60 ILE CG1 C 13 29.181 0.072 . . . . . . . . . . 5576 1 527 . 1 1 60 60 ILE HG12 H 1 0.928 0.000 . . . . . . . . . . 5576 1 528 . 1 1 60 60 ILE HG13 H 1 1.666 0.000 . . . . . . . . . . 5576 1 529 . 1 1 60 60 ILE HD11 H 1 0.860 0.000 . . . . . . . . . . 5576 1 530 . 1 1 60 60 ILE HD12 H 1 0.860 0.000 . . . . . . . . . . 5576 1 531 . 1 1 60 60 ILE HD13 H 1 0.860 0.000 . . . . . . . . . . 5576 1 532 . 1 1 60 60 ILE CD1 C 13 13.965 0.000 . . . . . . . . . . 5576 1 533 . 1 1 61 61 LEU N N 15 114.940 0.000 . . . . . . . . . . 5576 1 534 . 1 1 61 61 LEU H H 1 8.798 0.001 . . . . . . . . . . 5576 1 535 . 1 1 61 61 LEU CA C 13 57.470 0.000 . . . . . . . . . . 5576 1 536 . 1 1 61 61 LEU HA H 1 3.967 0.000 . . . . . . . . . . 5576 1 537 . 1 1 61 61 LEU CB C 13 40.962 0.000 . . . . . . . . . . 5576 1 538 . 1 1 61 61 LEU HB2 H 1 1.582 0.000 . . . . . . . . . . 5576 1 539 . 1 1 61 61 LEU HB3 H 1 1.718 0.000 . . . . . . . . . . 5576 1 540 . 1 1 61 61 LEU CG C 13 27.561 0.000 . . . . . . . . . . 5576 1 541 . 1 1 61 61 LEU HG H 1 1.748 0.000 . . . . . . . . . . 5576 1 542 . 1 1 61 61 LEU HD11 H 1 0.927 0.000 . . . . . . . . . . 5576 1 543 . 1 1 61 61 LEU HD12 H 1 0.927 0.000 . . . . . . . . . . 5576 1 544 . 1 1 61 61 LEU HD13 H 1 0.927 0.000 . . . . . . . . . . 5576 1 545 . 1 1 61 61 LEU HD21 H 1 0.883 0.000 . . . . . . . . . . 5576 1 546 . 1 1 61 61 LEU HD22 H 1 0.883 0.000 . . . . . . . . . . 5576 1 547 . 1 1 61 61 LEU HD23 H 1 0.883 0.000 . . . . . . . . . . 5576 1 548 . 1 1 61 61 LEU CD1 C 13 25.036 0.000 . . . . . . . . . . 5576 1 549 . 1 1 61 61 LEU CD2 C 13 23.267 0.000 . . . . . . . . . . 5576 1 550 . 1 1 62 62 LYS N N 15 117.157 0.000 . . . . . . . . . . 5576 1 551 . 1 1 62 62 LYS H H 1 7.774 0.000 . . . . . . . . . . 5576 1 552 . 1 1 62 62 LYS CA C 13 54.946 0.000 . . . . . . . . . . 5576 1 553 . 1 1 62 62 LYS HA H 1 4.393 0.000 . . . . . . . . . . 5576 1 554 . 1 1 62 62 LYS CB C 13 33.387 0.000 . . . . . . . . . . 5576 1 555 . 1 1 62 62 LYS HB2 H 1 1.638 0.000 . . . . . . . . . . 5576 1 556 . 1 1 62 62 LYS HB3 H 1 2.051 0.000 . . . . . . . . . . 5576 1 557 . 1 1 62 62 LYS CG C 13 25.129 0.000 . . . . . . . . . . 5576 1 558 . 1 1 62 62 LYS HG2 H 1 1.322 0.000 . . . . . . . . . . 5576 1 559 . 1 1 62 62 LYS HG3 H 1 1.447 0.000 . . . . . . . . . . 5576 1 560 . 1 1 62 62 LYS CD C 13 28.726 0.000 . . . . . . . . . . 5576 1 561 . 1 1 62 62 LYS HD2 H 1 1.552 0.000 . . . . . . . . . . 5576 1 562 . 1 1 62 62 LYS HD3 H 1 1.623 0.000 . . . . . . . . . . 5576 1 563 . 1 1 62 62 LYS CE C 13 41.933 0.000 . . . . . . . . . . 5576 1 564 . 1 1 62 62 LYS HE2 H 1 2.919 0.000 . . . . . . . . . . 5576 1 565 . 1 1 62 62 LYS HE3 H 1 2.949 0.000 . . . . . . . . . . 5576 1 566 . 1 1 63 63 ARG N N 15 119.712 0.000 . . . . . . . . . . 5576 1 567 . 1 1 63 63 ARG H H 1 7.321 0.000 . . . . . . . . . . 5576 1 568 . 1 1 63 63 ARG CA C 13 57.470 0.000 . . . . . . . . . . 5576 1 569 . 1 1 63 63 ARG HA H 1 4.050 0.000 . . . . . . . . . . 5576 1 570 . 1 1 63 63 ARG CB C 13 32.102 0.000 . . . . . . . . . . 5576 1 571 . 1 1 63 63 ARG HB2 H 1 1.653 0.000 . . . . . . . . . . 5576 1 572 . 1 1 63 63 ARG HB3 H 1 1.859 0.000 . . . . . . . . . . 5576 1 573 . 1 1 63 63 ARG CG C 13 27.860 0.000 . . . . . . . . . . 5576 1 574 . 1 1 63 63 ARG HG2 H 1 1.579 0.000 . . . . . . . . . . 5576 1 575 . 1 1 63 63 ARG CD C 13 43.487 0.000 . . . . . . . . . . 5576 1 576 . 1 1 63 63 ARG HD2 H 1 1.953 0.000 . . . . . . . . . . 5576 1 577 . 1 1 63 63 ARG HD3 H 1 2.375 0.000 . . . . . . . . . . 5576 1 578 . 1 1 63 63 ARG NE N 15 86.121 0.000 . . . . . . . . . . 5576 1 579 . 1 1 63 63 ARG HE H 1 6.373 0.000 . . . . . . . . . . 5576 1 580 . 1 1 64 64 ALA N N 15 126.410 0.000 . . . . . . . . . . 5576 1 581 . 1 1 64 64 ALA H H 1 9.177 0.000 . . . . . . . . . . 5576 1 582 . 1 1 64 64 ALA CA C 13 52.262 0.000 . . . . . . . . . . 5576 1 583 . 1 1 64 64 ALA HA H 1 4.423 0.000 . . . . . . . . . . 5576 1 584 . 1 1 64 64 ALA HB1 H 1 1.279 0.000 . . . . . . . . . . 5576 1 585 . 1 1 64 64 ALA HB2 H 1 1.279 0.000 . . . . . . . . . . 5576 1 586 . 1 1 64 64 ALA HB3 H 1 1.279 0.000 . . . . . . . . . . 5576 1 587 . 1 1 64 64 ALA CB C 13 19.015 0.000 . . . . . . . . . . 5576 1 588 . 1 1 65 65 VAL N N 15 122.169 0.000 . . . . . . . . . . 5576 1 589 . 1 1 65 65 VAL H H 1 8.675 0.000 . . . . . . . . . . 5576 1 590 . 1 1 65 65 VAL CA C 13 60.772 0.000 . . . . . . . . . . 5576 1 591 . 1 1 65 65 VAL HA H 1 4.513 0.000 . . . . . . . . . . 5576 1 592 . 1 1 65 65 VAL CB C 13 36.106 0.000 . . . . . . . . . . 5576 1 593 . 1 1 65 65 VAL HB H 1 1.818 0.000 . . . . . . . . . . 5576 1 594 . 1 1 65 65 VAL HG11 H 1 0.568 0.000 . . . . . . . . . . 5576 1 595 . 1 1 65 65 VAL HG12 H 1 0.568 0.000 . . . . . . . . . . 5576 1 596 . 1 1 65 65 VAL HG13 H 1 0.568 0.000 . . . . . . . . . . 5576 1 597 . 1 1 65 65 VAL HG21 H 1 0.767 0.000 . . . . . . . . . . 5576 1 598 . 1 1 65 65 VAL HG22 H 1 0.767 0.000 . . . . . . . . . . 5576 1 599 . 1 1 65 65 VAL HG23 H 1 0.767 0.000 . . . . . . . . . . 5576 1 600 . 1 1 65 65 VAL CG1 C 13 23.141 0.000 . . . . . . . . . . 5576 1 601 . 1 1 65 65 VAL CG2 C 13 22.705 0.000 . . . . . . . . . . 5576 1 602 . 1 1 66 66 ALA N N 15 130.940 0.000 . . . . . . . . . . 5576 1 603 . 1 1 66 66 ALA H H 1 9.004 0.000 . . . . . . . . . . 5576 1 604 . 1 1 66 66 ALA CA C 13 50.673 0.000 . . . . . . . . . . 5576 1 605 . 1 1 66 66 ALA HA H 1 4.692 0.000 . . . . . . . . . . 5576 1 606 . 1 1 66 66 ALA HB1 H 1 1.218 0.000 . . . . . . . . . . 5576 1 607 . 1 1 66 66 ALA HB2 H 1 1.218 0.000 . . . . . . . . . . 5576 1 608 . 1 1 66 66 ALA HB3 H 1 1.218 0.000 . . . . . . . . . . 5576 1 609 . 1 1 66 66 ALA CB C 13 19.015 0.000 . . . . . . . . . . 5576 1 610 . 1 1 67 67 GLY N N 15 112.434 0.000 . . . . . . . . . . 5576 1 611 . 1 1 67 67 GLY H H 1 7.977 0.000 . . . . . . . . . . 5576 1 612 . 1 1 67 67 GLY CA C 13 44.264 0.000 . . . . . . . . . . 5576 1 613 . 1 1 67 67 GLY HA2 H 1 3.858 0.000 . . . . . . . . . . 5576 1 614 . 1 1 67 67 GLY HA3 H 1 4.110 0.000 . . . . . . . . . . 5576 1 615 . 1 1 68 68 ASP N N 15 121.301 0.000 . . . . . . . . . . 5576 1 616 . 1 1 68 68 ASP H H 1 9.120 0.000 . . . . . . . . . . 5576 1 617 . 1 1 68 68 ASP CA C 13 53.849 0.000 . . . . . . . . . . 5576 1 618 . 1 1 68 68 ASP HA H 1 4.477 0.007 . . . . . . . . . . 5576 1 619 . 1 1 68 68 ASP CB C 13 41.739 0.000 . . . . . . . . . . 5576 1 620 . 1 1 68 68 ASP HB2 H 1 2.473 0.000 . . . . . . . . . . 5576 1 621 . 1 1 68 68 ASP HB3 H 1 2.968 0.000 . . . . . . . . . . 5576 1 622 . 1 1 70 70 SER CA C 13 61.743 0.000 . . . . . . . . . . 5576 1 623 . 1 1 70 70 SER HA H 1 4.201 0.000 . . . . . . . . . . 5576 1 624 . 1 1 70 70 SER CB C 13 62.520 0.000 . . . . . . . . . . 5576 1 625 . 1 1 70 70 SER HB2 H 1 3.352 0.000 . . . . . . . . . . 5576 1 626 . 1 1 70 70 SER HB3 H 1 3.612 0.000 . . . . . . . . . . 5576 1 627 . 1 1 71 71 GLU HB3 H 1 2.349 0.000 . . . . . . . . . . 5576 1 628 . 1 1 72 72 SER N N 15 116.964 0.000 . . . . . . . . . . 5576 1 629 . 1 1 72 72 SER H H 1 8.609 0.000 . . . . . . . . . . 5576 1 630 . 1 1 72 72 SER CA C 13 62.132 0.000 . . . . . . . . . . 5576 1 631 . 1 1 72 72 SER HA H 1 3.776 0.000 . . . . . . . . . . 5576 1 632 . 1 1 72 72 SER CB C 13 62.714 0.000 . . . . . . . . . . 5576 1 633 . 1 1 72 72 SER HB2 H 1 3.642 0.000 . . . . . . . . . . 5576 1 634 . 1 1 72 72 SER HB3 H 1 3.777 0.000 . . . . . . . . . . 5576 1 635 . 1 1 73 73 ALA N N 15 123.716 0.000 . . . . . . . . . . 5576 1 636 . 1 1 73 73 ALA H H 1 7.245 0.001 . . . . . . . . . . 5576 1 637 . 1 1 73 73 ALA CA C 13 54.946 0.000 . . . . . . . . . . 5576 1 638 . 1 1 73 73 ALA HA H 1 4.130 0.000 . . . . . . . . . . 5576 1 639 . 1 1 73 73 ALA HB1 H 1 1.345 0.000 . . . . . . . . . . 5576 1 640 . 1 1 73 73 ALA HB2 H 1 1.345 0.000 . . . . . . . . . . 5576 1 641 . 1 1 73 73 ALA HB3 H 1 1.345 0.000 . . . . . . . . . . 5576 1 642 . 1 1 73 73 ALA CB C 13 18.508 0.000 . . . . . . . . . . 5576 1 643 . 1 1 74 74 LEU N N 15 118.892 0.000 . . . . . . . . . . 5576 1 644 . 1 1 74 74 LEU H H 1 7.927 0.000 . . . . . . . . . . 5576 1 645 . 1 1 74 74 LEU CA C 13 58.053 0.000 . . . . . . . . . . 5576 1 646 . 1 1 74 74 LEU HA H 1 3.683 0.000 . . . . . . . . . . 5576 1 647 . 1 1 74 74 LEU CB C 13 41.933 0.000 . . . . . . . . . . 5576 1 648 . 1 1 74 74 LEU HB2 H 1 1.042 0.000 . . . . . . . . . . 5576 1 649 . 1 1 74 74 LEU HB3 H 1 1.764 0.000 . . . . . . . . . . 5576 1 650 . 1 1 74 74 LEU CG C 13 26.201 0.000 . . . . . . . . . . 5576 1 651 . 1 1 74 74 LEU HG H 1 1.974 0.000 . . . . . . . . . . 5576 1 652 . 1 1 74 74 LEU HD11 H 1 0.853 0.000 . . . . . . . . . . 5576 1 653 . 1 1 74 74 LEU HD12 H 1 0.853 0.000 . . . . . . . . . . 5576 1 654 . 1 1 74 74 LEU HD13 H 1 0.853 0.000 . . . . . . . . . . 5576 1 655 . 1 1 74 74 LEU HD21 H 1 0.715 0.000 . . . . . . . . . . 5576 1 656 . 1 1 74 74 LEU HD22 H 1 0.715 0.000 . . . . . . . . . . 5576 1 657 . 1 1 74 74 LEU HD23 H 1 0.715 0.000 . . . . . . . . . . 5576 1 658 . 1 1 74 74 LEU CD1 C 13 25.618 0.000 . . . . . . . . . . 5576 1 659 . 1 1 74 74 LEU CD2 C 13 23.094 0.000 . . . . . . . . . . 5576 1 660 . 1 1 75 75 LEU N N 15 120.338 0.000 . . . . . . . . . . 5576 1 661 . 1 1 75 75 LEU H H 1 8.342 0.000 . . . . . . . . . . 5576 1 662 . 1 1 75 75 LEU CA C 13 58.636 0.000 . . . . . . . . . . 5576 1 663 . 1 1 75 75 LEU HA H 1 3.652 0.000 . . . . . . . . . . 5576 1 664 . 1 1 75 75 LEU CB C 13 42.328 0.000 . . . . . . . . . . 5576 1 665 . 1 1 75 75 LEU HB2 H 1 1.154 0.000 . . . . . . . . . . 5576 1 666 . 1 1 75 75 LEU HB3 H 1 1.865 0.000 . . . . . . . . . . 5576 1 667 . 1 1 75 75 LEU CG C 13 26.978 0.000 . . . . . . . . . . 5576 1 668 . 1 1 75 75 LEU HG H 1 0.886 0.000 . . . . . . . . . . 5576 1 669 . 1 1 75 75 LEU HD11 H 1 0.626 0.001 . . . . . . . . . . 5576 1 670 . 1 1 75 75 LEU HD12 H 1 0.626 0.001 . . . . . . . . . . 5576 1 671 . 1 1 75 75 LEU HD13 H 1 0.626 0.001 . . . . . . . . . . 5576 1 672 . 1 1 75 75 LEU HD21 H 1 -0.274 0.000 . . . . . . . . . . 5576 1 673 . 1 1 75 75 LEU HD22 H 1 -0.274 0.000 . . . . . . . . . . 5576 1 674 . 1 1 75 75 LEU HD23 H 1 -0.274 0.000 . . . . . . . . . . 5576 1 675 . 1 1 75 75 LEU CD1 C 13 22.317 0.000 . . . . . . . . . . 5576 1 676 . 1 1 75 75 LEU CD2 C 13 25.036 0.000 . . . . . . . . . . 5576 1 677 . 1 1 76 76 LYS N N 15 115.326 0.000 . . . . . . . . . . 5576 1 678 . 1 1 76 76 LYS H H 1 7.744 0.001 . . . . . . . . . . 5576 1 679 . 1 1 76 76 LYS CA C 13 61.422 0.000 . . . . . . . . . . 5576 1 680 . 1 1 76 76 LYS HA H 1 3.741 0.000 . . . . . . . . . . 5576 1 681 . 1 1 76 76 LYS CB C 13 33.071 0.000 . . . . . . . . . . 5576 1 682 . 1 1 76 76 LYS HB2 H 1 1.806 0.001 . . . . . . . . . . 5576 1 683 . 1 1 76 76 LYS CG C 13 28.143 0.000 . . . . . . . . . . 5576 1 684 . 1 1 76 76 LYS HG2 H 1 1.335 0.000 . . . . . . . . . . 5576 1 685 . 1 1 76 76 LYS HG3 H 1 1.665 0.000 . . . . . . . . . . 5576 1 686 . 1 1 76 76 LYS CD C 13 30.347 0.000 . . . . . . . . . . 5576 1 687 . 1 1 76 76 LYS HD2 H 1 1.733 0.000 . . . . . . . . . . 5576 1 688 . 1 1 76 76 LYS HD3 H 1 1.809 0.000 . . . . . . . . . . 5576 1 689 . 1 1 76 76 LYS CE C 13 42.965 0.000 . . . . . . . . . . 5576 1 690 . 1 1 76 76 LYS HE2 H 1 2.891 0.000 . . . . . . . . . . 5576 1 691 . 1 1 76 76 LYS HE3 H 1 3.191 0.000 . . . . . . . . . . 5576 1 692 . 1 1 77 77 CYS N N 15 115.518 0.000 . . . . . . . . . . 5576 1 693 . 1 1 77 77 CYS H H 1 7.530 0.001 . . . . . . . . . . 5576 1 694 . 1 1 77 77 CYS CA C 13 58.442 0.000 . . . . . . . . . . 5576 1 695 . 1 1 77 77 CYS HA H 1 4.355 0.000 . . . . . . . . . . 5576 1 696 . 1 1 77 77 CYS CB C 13 43.681 0.000 . . . . . . . . . . 5576 1 697 . 1 1 77 77 CYS HB2 H 1 3.117 0.002 . . . . . . . . . . 5576 1 698 . 1 1 77 77 CYS HB3 H 1 3.205 0.001 . . . . . . . . . . 5576 1 699 . 1 1 78 78 ILE N N 15 117.157 0.000 . . . . . . . . . . 5576 1 700 . 1 1 78 78 ILE H H 1 8.268 0.000 . . . . . . . . . . 5576 1 701 . 1 1 78 78 ILE CA C 13 62.714 0.000 . . . . . . . . . . 5576 1 702 . 1 1 78 78 ILE HA H 1 3.602 0.000 . . . . . . . . . . 5576 1 703 . 1 1 78 78 ILE CB C 13 34.358 0.000 . . . . . . . . . . 5576 1 704 . 1 1 78 78 ILE HB H 1 1.833 0.000 . . . . . . . . . . 5576 1 705 . 1 1 78 78 ILE HG21 H 1 0.633 0.000 . . . . . . . . . . 5576 1 706 . 1 1 78 78 ILE HG22 H 1 0.633 0.000 . . . . . . . . . . 5576 1 707 . 1 1 78 78 ILE HG23 H 1 0.633 0.000 . . . . . . . . . . 5576 1 708 . 1 1 78 78 ILE CG2 C 13 19.671 0.000 . . . . . . . . . . 5576 1 709 . 1 1 78 78 ILE HG12 H 1 0.937 0.000 . . . . . . . . . . 5576 1 710 . 1 1 78 78 ILE HG13 H 1 1.835 0.000 . . . . . . . . . . 5576 1 711 . 1 1 78 78 ILE HD11 H 1 0.429 0.000 . . . . . . . . . . 5576 1 712 . 1 1 78 78 ILE HD12 H 1 0.429 0.000 . . . . . . . . . . 5576 1 713 . 1 1 78 78 ILE HD13 H 1 0.429 0.000 . . . . . . . . . . 5576 1 714 . 1 1 78 78 ILE CD1 C 13 9.304 0.000 . . . . . . . . . . 5576 1 715 . 1 1 79 79 GLU N N 15 123.671 0.000 . . . . . . . . . . 5576 1 716 . 1 1 79 79 GLU H H 1 8.683 0.000 . . . . . . . . . . 5576 1 717 . 1 1 79 79 GLU CA C 13 59.014 0.000 . . . . . . . . . . 5576 1 718 . 1 1 79 79 GLU HA H 1 4.515 0.000 . . . . . . . . . . 5576 1 719 . 1 1 79 79 GLU CB C 13 28.726 0.000 . . . . . . . . . . 5576 1 720 . 1 1 79 79 GLU HB2 H 1 1.973 0.000 . . . . . . . . . . 5576 1 721 . 1 1 79 79 GLU HB3 H 1 2.681 0.000 . . . . . . . . . . 5576 1 722 . 1 1 79 79 GLU CG C 13 34.553 0.000 . . . . . . . . . . 5576 1 723 . 1 1 79 79 GLU HG2 H 1 2.145 0.001 . . . . . . . . . . 5576 1 724 . 1 1 79 79 GLU HG3 H 1 2.217 0.000 . . . . . . . . . . 5576 1 725 . 1 1 80 80 VAL N N 15 116.868 0.000 . . . . . . . . . . 5576 1 726 . 1 1 80 80 VAL H H 1 8.047 0.000 . . . . . . . . . . 5576 1 727 . 1 1 80 80 VAL CA C 13 65.239 0.000 . . . . . . . . . . 5576 1 728 . 1 1 80 80 VAL HA H 1 3.808 0.000 . . . . . . . . . . 5576 1 729 . 1 1 80 80 VAL CB C 13 32.028 0.000 . . . . . . . . . . 5576 1 730 . 1 1 80 80 VAL HB H 1 2.165 0.000 . . . . . . . . . . 5576 1 731 . 1 1 80 80 VAL HG11 H 1 1.037 0.000 . . . . . . . . . . 5576 1 732 . 1 1 80 80 VAL HG12 H 1 1.037 0.000 . . . . . . . . . . 5576 1 733 . 1 1 80 80 VAL HG13 H 1 1.037 0.000 . . . . . . . . . . 5576 1 734 . 1 1 80 80 VAL HG21 H 1 1.108 0.000 . . . . . . . . . . 5576 1 735 . 1 1 80 80 VAL HG22 H 1 1.108 0.000 . . . . . . . . . . 5576 1 736 . 1 1 80 80 VAL HG23 H 1 1.108 0.000 . . . . . . . . . . 5576 1 737 . 1 1 80 80 VAL CG1 C 13 21.151 0.000 . . . . . . . . . . 5576 1 738 . 1 1 80 80 VAL CG2 C 13 22.899 0.000 . . . . . . . . . . 5576 1 739 . 1 1 81 81 CYS N N 15 118.024 0.000 . . . . . . . . . . 5576 1 740 . 1 1 81 81 CYS H H 1 7.838 0.001 . . . . . . . . . . 5576 1 741 . 1 1 81 81 CYS CA C 13 61.743 0.000 . . . . . . . . . . 5576 1 742 . 1 1 81 81 CYS HA H 1 4.268 0.000 . . . . . . . . . . 5576 1 743 . 1 1 81 81 CYS CB C 13 29.503 0.000 . . . . . . . . . . 5576 1 744 . 1 1 81 81 CYS HB2 H 1 3.145 0.000 . . . . . . . . . . 5576 1 745 . 1 1 82 82 CYS N N 15 113.494 0.000 . . . . . . . . . . 5576 1 746 . 1 1 82 82 CYS H H 1 8.965 0.000 . . . . . . . . . . 5576 1 747 . 1 1 82 82 CYS CA C 13 54.169 0.000 . . . . . . . . . . 5576 1 748 . 1 1 82 82 CYS HA H 1 4.950 0.000 . . . . . . . . . . 5576 1 749 . 1 1 82 82 CYS CB C 13 42.792 0.000 . . . . . . . . . . 5576 1 750 . 1 1 82 82 CYS HB2 H 1 2.890 0.000 . . . . . . . . . . 5576 1 751 . 1 1 82 82 CYS HB3 H 1 3.256 0.000 . . . . . . . . . . 5576 1 752 . 1 1 83 83 GLY N N 15 111.759 0.000 . . . . . . . . . . 5576 1 753 . 1 1 83 83 GLY H H 1 7.826 0.000 . . . . . . . . . . 5576 1 754 . 1 1 83 83 GLY CA C 13 44.069 0.000 . . . . . . . . . . 5576 1 755 . 1 1 83 83 GLY HA2 H 1 3.793 0.000 . . . . . . . . . . 5576 1 756 . 1 1 83 83 GLY HA3 H 1 4.357 0.000 . . . . . . . . . . 5576 1 757 . 1 1 84 84 SER N N 15 108.334 0.000 . . . . . . . . . . 5576 1 758 . 1 1 84 84 SER H H 1 7.848 0.001 . . . . . . . . . . 5576 1 759 . 1 1 84 84 SER CA C 13 57.859 0.000 . . . . . . . . . . 5576 1 760 . 1 1 84 84 SER HA H 1 4.710 0.001 . . . . . . . . . . 5576 1 761 . 1 1 84 84 SER CB C 13 63.170 0.000 . . . . . . . . . . 5576 1 762 . 1 1 84 84 SER HB2 H 1 3.770 0.001 . . . . . . . . . . 5576 1 763 . 1 1 84 84 SER HB3 H 1 4.001 0.000 . . . . . . . . . . 5576 1 764 . 1 1 85 85 VAL N N 15 135.566 0.000 . . . . . . . . . . 5576 1 765 . 1 1 85 85 VAL H H 1 9.723 0.000 . . . . . . . . . . 5576 1 766 . 1 1 85 85 VAL CA C 13 65.885 0.000 . . . . . . . . . . 5576 1 767 . 1 1 85 85 VAL HA H 1 3.625 0.000 . . . . . . . . . . 5576 1 768 . 1 1 85 85 VAL CB C 13 31.445 0.000 . . . . . . . . . . 5576 1 769 . 1 1 85 85 VAL HB H 1 1.953 0.000 . . . . . . . . . . 5576 1 770 . 1 1 85 85 VAL HG11 H 1 0.745 0.000 . . . . . . . . . . 5576 1 771 . 1 1 85 85 VAL HG12 H 1 0.745 0.000 . . . . . . . . . . 5576 1 772 . 1 1 85 85 VAL HG13 H 1 0.745 0.000 . . . . . . . . . . 5576 1 773 . 1 1 85 85 VAL HG21 H 1 1.074 0.000 . . . . . . . . . . 5576 1 774 . 1 1 85 85 VAL HG22 H 1 1.074 0.000 . . . . . . . . . . 5576 1 775 . 1 1 85 85 VAL HG23 H 1 1.074 0.000 . . . . . . . . . . 5576 1 776 . 1 1 85 85 VAL CG1 C 13 22.511 0.000 . . . . . . . . . . 5576 1 777 . 1 1 85 85 VAL CG2 C 13 23.871 0.000 . . . . . . . . . . 5576 1 778 . 1 1 86 86 MET N N 15 120.530 0.000 . . . . . . . . . . 5576 1 779 . 1 1 86 86 MET H H 1 8.814 0.000 . . . . . . . . . . 5576 1 780 . 1 1 86 86 MET CA C 13 57.665 0.000 . . . . . . . . . . 5576 1 781 . 1 1 86 86 MET HA H 1 4.312 0.000 . . . . . . . . . . 5576 1 782 . 1 1 86 86 MET CB C 13 29.891 0.000 . . . . . . . . . . 5576 1 783 . 1 1 86 86 MET HB2 H 1 2.019 0.000 . . . . . . . . . . 5576 1 784 . 1 1 86 86 MET HB3 H 1 2.069 0.000 . . . . . . . . . . 5576 1 785 . 1 1 86 86 MET CG C 13 32.610 0.000 . . . . . . . . . . 5576 1 786 . 1 1 86 86 MET HG2 H 1 2.819 0.000 . . . . . . . . . . 5576 1 787 . 1 1 86 86 MET HG3 H 1 2.851 0.000 . . . . . . . . . . 5576 1 788 . 1 1 86 86 MET HE1 H 1 2.136 0.000 . . . . . . . . . . 5576 1 789 . 1 1 86 86 MET HE2 H 1 2.136 0.000 . . . . . . . . . . 5576 1 790 . 1 1 86 86 MET HE3 H 1 2.136 0.000 . . . . . . . . . . 5576 1 791 . 1 1 86 86 MET CE C 13 16.879 0.000 . . . . . . . . . . 5576 1 792 . 1 1 87 87 GLU N N 15 121.012 0.000 . . . . . . . . . . 5576 1 793 . 1 1 87 87 GLU H H 1 8.008 0.000 . . . . . . . . . . 5576 1 794 . 1 1 87 87 GLU CA C 13 59.440 0.010 . . . . . . . . . . 5576 1 795 . 1 1 87 87 GLU HA H 1 4.012 0.000 . . . . . . . . . . 5576 1 796 . 1 1 87 87 GLU CB C 13 29.524 0.029 . . . . . . . . . . 5576 1 797 . 1 1 87 87 GLU HB2 H 1 1.998 0.000 . . . . . . . . . . 5576 1 798 . 1 1 87 87 GLU HB3 H 1 2.040 0.000 . . . . . . . . . . 5576 1 799 . 1 1 87 87 GLU CG C 13 36.688 0.001 . . . . . . . . . . 5576 1 800 . 1 1 87 87 GLU HG2 H 1 2.216 0.000 . . . . . . . . . . 5576 1 801 . 1 1 87 87 GLU HG3 H 1 2.371 0.000 . . . . . . . . . . 5576 1 802 . 1 1 88 88 MET N N 15 121.976 0.000 . . . . . . . . . . 5576 1 803 . 1 1 88 88 MET H H 1 7.422 0.000 . . . . . . . . . . 5576 1 804 . 1 1 88 88 MET CA C 13 59.840 0.000 . . . . . . . . . . 5576 1 805 . 1 1 88 88 MET HA H 1 4.106 0.000 . . . . . . . . . . 5576 1 806 . 1 1 88 88 MET CB C 13 34.147 0.000 . . . . . . . . . . 5576 1 807 . 1 1 88 88 MET HB2 H 1 2.251 0.000 . . . . . . . . . . 5576 1 808 . 1 1 88 88 MET HB3 H 1 2.296 0.000 . . . . . . . . . . 5576 1 809 . 1 1 88 88 MET CG C 13 30.956 0.000 . . . . . . . . . . 5576 1 810 . 1 1 88 88 MET HG2 H 1 2.278 0.000 . . . . . . . . . . 5576 1 811 . 1 1 88 88 MET HG3 H 1 2.627 0.000 . . . . . . . . . . 5576 1 812 . 1 1 88 88 MET HE1 H 1 1.735 0.000 . . . . . . . . . . 5576 1 813 . 1 1 88 88 MET HE2 H 1 1.735 0.000 . . . . . . . . . . 5576 1 814 . 1 1 88 88 MET HE3 H 1 1.735 0.000 . . . . . . . . . . 5576 1 815 . 1 1 88 88 MET CE C 13 15.519 0.000 . . . . . . . . . . 5576 1 816 . 1 1 89 89 ARG N N 15 118.121 0.000 . . . . . . . . . . 5576 1 817 . 1 1 89 89 ARG H H 1 8.449 0.001 . . . . . . . . . . 5576 1 818 . 1 1 89 89 ARG CA C 13 59.688 0.000 . . . . . . . . . . 5576 1 819 . 1 1 89 89 ARG HA H 1 3.865 0.000 . . . . . . . . . . 5576 1 820 . 1 1 89 89 ARG CB C 13 30.280 0.000 . . . . . . . . . . 5576 1 821 . 1 1 89 89 ARG HB2 H 1 2.014 0.000 . . . . . . . . . . 5576 1 822 . 1 1 89 89 ARG CG C 13 28.697 0.000 . . . . . . . . . . 5576 1 823 . 1 1 89 89 ARG HG2 H 1 1.907 0.000 . . . . . . . . . . 5576 1 824 . 1 1 89 89 ARG CD C 13 44.894 0.000 . . . . . . . . . . 5576 1 825 . 1 1 89 89 ARG HD2 H 1 3.001 0.000 . . . . . . . . . . 5576 1 826 . 1 1 89 89 ARG HD3 H 1 3.302 0.000 . . . . . . . . . . 5576 1 827 . 1 1 89 89 ARG NE N 15 86.121 0.000 . . . . . . . . . . 5576 1 828 . 1 1 89 89 ARG HE H 1 6.513 0.000 . . . . . . . . . . 5576 1 829 . 1 1 90 90 GLU N N 15 117.601 0.000 . . . . . . . . . . 5576 1 830 . 1 1 90 90 GLU H H 1 7.701 0.001 . . . . . . . . . . 5576 1 831 . 1 1 90 90 GLU CA C 13 58.053 0.000 . . . . . . . . . . 5576 1 832 . 1 1 90 90 GLU HA H 1 4.017 0.000 . . . . . . . . . . 5576 1 833 . 1 1 90 90 GLU CB C 13 29.735 0.000 . . . . . . . . . . 5576 1 834 . 1 1 90 90 GLU HB2 H 1 2.040 0.000 . . . . . . . . . . 5576 1 835 . 1 1 90 90 GLU HB3 H 1 2.090 0.000 . . . . . . . . . . 5576 1 836 . 1 1 90 90 GLU CG C 13 36.301 0.000 . . . . . . . . . . 5576 1 837 . 1 1 90 90 GLU HG2 H 1 2.255 0.000 . . . . . . . . . . 5576 1 838 . 1 1 90 90 GLU HG3 H 1 2.348 0.000 . . . . . . . . . . 5576 1 839 . 1 1 91 91 LYS N N 15 119.567 0.000 . . . . . . . . . . 5576 1 840 . 1 1 91 91 LYS H H 1 7.615 0.005 . . . . . . . . . . 5576 1 841 . 1 1 91 91 LYS CA C 13 58.452 0.000 . . . . . . . . . . 5576 1 842 . 1 1 91 91 LYS HA H 1 3.994 0.000 . . . . . . . . . . 5576 1 843 . 1 1 91 91 LYS CB C 13 33.016 0.000 . . . . . . . . . . 5576 1 844 . 1 1 91 91 LYS HB2 H 1 1.695 0.000 . . . . . . . . . . 5576 1 845 . 1 1 91 91 LYS HB3 H 1 1.845 0.000 . . . . . . . . . . 5576 1 846 . 1 1 91 91 LYS CG C 13 25.230 0.000 . . . . . . . . . . 5576 1 847 . 1 1 91 91 LYS HG2 H 1 0.854 0.000 . . . . . . . . . . 5576 1 848 . 1 1 91 91 LYS HG3 H 1 1.327 0.000 . . . . . . . . . . 5576 1 849 . 1 1 91 91 LYS CD C 13 29.309 0.000 . . . . . . . . . . 5576 1 850 . 1 1 91 91 LYS HD2 H 1 1.523 0.000 . . . . . . . . . . 5576 1 851 . 1 1 91 91 LYS CE C 13 42.127 0.000 . . . . . . . . . . 5576 1 852 . 1 1 91 91 LYS HE2 H 1 2.767 0.000 . . . . . . . . . . 5576 1 853 . 1 1 92 92 TYR N N 15 119.856 0.000 . . . . . . . . . . 5576 1 854 . 1 1 92 92 TYR H H 1 7.620 0.000 . . . . . . . . . . 5576 1 855 . 1 1 92 92 TYR CA C 13 54.557 0.000 . . . . . . . . . . 5576 1 856 . 1 1 92 92 TYR HA H 1 5.236 0.000 . . . . . . . . . . 5576 1 857 . 1 1 92 92 TYR CB C 13 38.127 0.026 . . . . . . . . . . 5576 1 858 . 1 1 92 92 TYR HB2 H 1 2.666 0.000 . . . . . . . . . . 5576 1 859 . 1 1 92 92 TYR HB3 H 1 2.888 0.000 . . . . . . . . . . 5576 1 860 . 1 1 92 92 TYR HD1 H 1 7.396 0.000 . . . . . . . . . . 5576 1 861 . 1 1 92 92 TYR HE1 H 1 6.707 0.000 . . . . . . . . . . 5576 1 862 . 1 1 92 92 TYR CD1 C 13 134.468 0.000 . . . . . . . . . . 5576 1 863 . 1 1 92 92 TYR CE1 C 13 117.455 0.000 . . . . . . . . . . 5576 1 864 . 1 1 93 93 THR N N 15 116.771 0.000 . . . . . . . . . . 5576 1 865 . 1 1 93 93 THR H H 1 7.217 0.000 . . . . . . . . . . 5576 1 866 . 1 1 93 93 THR CA C 13 64.740 0.000 . . . . . . . . . . 5576 1 867 . 1 1 93 93 THR HA H 1 3.940 0.000 . . . . . . . . . . 5576 1 868 . 1 1 93 93 THR CB C 13 70.483 0.000 . . . . . . . . . . 5576 1 869 . 1 1 93 93 THR HB H 1 3.724 0.000 . . . . . . . . . . 5576 1 870 . 1 1 93 93 THR HG21 H 1 1.242 0.000 . . . . . . . . . . 5576 1 871 . 1 1 93 93 THR HG22 H 1 1.242 0.000 . . . . . . . . . . 5576 1 872 . 1 1 93 93 THR HG23 H 1 1.242 0.000 . . . . . . . . . . 5576 1 873 . 1 1 93 93 THR CG2 C 13 21.540 0.000 . . . . . . . . . . 5576 1 874 . 1 1 94 94 LYS N N 15 129.398 0.000 . . . . . . . . . . 5576 1 875 . 1 1 94 94 LYS H H 1 8.660 0.000 . . . . . . . . . . 5576 1 876 . 1 1 94 94 LYS CA C 13 58.247 0.000 . . . . . . . . . . 5576 1 877 . 1 1 94 94 LYS HA H 1 3.455 0.000 . . . . . . . . . . 5576 1 878 . 1 1 94 94 LYS CB C 13 31.833 0.000 . . . . . . . . . . 5576 1 879 . 1 1 94 94 LYS HB2 H 1 1.719 0.000 . . . . . . . . . . 5576 1 880 . 1 1 94 94 LYS HB3 H 1 1.917 0.001 . . . . . . . . . . 5576 1 881 . 1 1 94 94 LYS CG C 13 24.259 0.000 . . . . . . . . . . 5576 1 882 . 1 1 94 94 LYS HG2 H 1 0.706 0.000 . . . . . . . . . . 5576 1 883 . 1 1 94 94 LYS HG3 H 1 1.030 0.001 . . . . . . . . . . 5576 1 884 . 1 1 94 94 LYS CD C 13 29.503 0.000 . . . . . . . . . . 5576 1 885 . 1 1 94 94 LYS HD2 H 1 1.595 0.000 . . . . . . . . . . 5576 1 886 . 1 1 94 94 LYS CE C 13 41.350 0.000 . . . . . . . . . . 5576 1 887 . 1 1 94 94 LYS HE2 H 1 2.839 0.000 . . . . . . . . . . 5576 1 888 . 1 1 94 94 LYS HE3 H 1 2.974 0.000 . . . . . . . . . . 5576 1 889 . 1 1 95 95 ILE N N 15 128.916 0.000 . . . . . . . . . . 5576 1 890 . 1 1 95 95 ILE H H 1 9.328 0.001 . . . . . . . . . . 5576 1 891 . 1 1 95 95 ILE CA C 13 63.491 0.000 . . . . . . . . . . 5576 1 892 . 1 1 95 95 ILE HA H 1 4.071 0.000 . . . . . . . . . . 5576 1 893 . 1 1 95 95 ILE CB C 13 39.991 0.000 . . . . . . . . . . 5576 1 894 . 1 1 95 95 ILE HB H 1 1.311 0.000 . . . . . . . . . . 5576 1 895 . 1 1 95 95 ILE HG21 H 1 1.103 0.001 . . . . . . . . . . 5576 1 896 . 1 1 95 95 ILE HG22 H 1 1.103 0.001 . . . . . . . . . . 5576 1 897 . 1 1 95 95 ILE HG23 H 1 1.103 0.001 . . . . . . . . . . 5576 1 898 . 1 1 95 95 ILE CG2 C 13 18.432 0.000 . . . . . . . . . . 5576 1 899 . 1 1 95 95 ILE CG1 C 13 27.172 0.000 . . . . . . . . . . 5576 1 900 . 1 1 95 95 ILE HG12 H 1 0.987 0.000 . . . . . . . . . . 5576 1 901 . 1 1 95 95 ILE HG13 H 1 1.646 0.000 . . . . . . . . . . 5576 1 902 . 1 1 95 95 ILE HD11 H 1 0.989 0.000 . . . . . . . . . . 5576 1 903 . 1 1 95 95 ILE HD12 H 1 0.989 0.000 . . . . . . . . . . 5576 1 904 . 1 1 95 95 ILE HD13 H 1 0.989 0.000 . . . . . . . . . . 5576 1 905 . 1 1 95 95 ILE CD1 C 13 14.742 0.000 . . . . . . . . . . 5576 1 906 . 1 1 96 96 VAL N N 15 110.024 0.000 . . . . . . . . . . 5576 1 907 . 1 1 96 96 VAL H H 1 6.930 0.000 . . . . . . . . . . 5576 1 908 . 1 1 96 96 VAL CA C 13 59.218 0.000 . . . . . . . . . . 5576 1 909 . 1 1 96 96 VAL HA H 1 4.587 0.000 . . . . . . . . . . 5576 1 910 . 1 1 96 96 VAL CB C 13 36.883 0.000 . . . . . . . . . . 5576 1 911 . 1 1 96 96 VAL HB H 1 1.894 0.000 . . . . . . . . . . 5576 1 912 . 1 1 96 96 VAL HG11 H 1 0.825 0.000 . . . . . . . . . . 5576 1 913 . 1 1 96 96 VAL HG12 H 1 0.825 0.000 . . . . . . . . . . 5576 1 914 . 1 1 96 96 VAL HG13 H 1 0.825 0.000 . . . . . . . . . . 5576 1 915 . 1 1 96 96 VAL HG21 H 1 0.283 0.000 . . . . . . . . . . 5576 1 916 . 1 1 96 96 VAL HG22 H 1 0.283 0.000 . . . . . . . . . . 5576 1 917 . 1 1 96 96 VAL HG23 H 1 0.283 0.000 . . . . . . . . . . 5576 1 918 . 1 1 96 96 VAL CG1 C 13 22.511 0.000 . . . . . . . . . . 5576 1 919 . 1 1 96 96 VAL CG2 C 13 19.403 0.000 . . . . . . . . . . 5576 1 920 . 1 1 97 97 GLU N N 15 121.205 0.000 . . . . . . . . . . 5576 1 921 . 1 1 97 97 GLU H H 1 8.517 0.000 . . . . . . . . . . 5576 1 922 . 1 1 97 97 GLU HB2 H 1 1.881 0.000 . . . . . . . . . . 5576 1 923 . 1 1 97 97 GLU HB3 H 1 1.966 0.000 . . . . . . . . . . 5576 1 924 . 1 1 97 97 GLU HG3 H 1 2.155 0.000 . . . . . . . . . . 5576 1 925 . 1 1 98 98 ILE N N 15 125.831 0.000 . . . . . . . . . . 5576 1 926 . 1 1 98 98 ILE H H 1 9.224 0.001 . . . . . . . . . . 5576 1 927 . 1 1 98 98 ILE CA C 13 59.024 0.000 . . . . . . . . . . 5576 1 928 . 1 1 98 98 ILE HA H 1 4.630 0.000 . . . . . . . . . . 5576 1 929 . 1 1 98 98 ILE CB C 13 39.602 0.000 . . . . . . . . . . 5576 1 930 . 1 1 98 98 ILE HB H 1 1.969 0.000 . . . . . . . . . . 5576 1 931 . 1 1 98 98 ILE HG21 H 1 0.978 0.000 . . . . . . . . . . 5576 1 932 . 1 1 98 98 ILE HG22 H 1 0.978 0.000 . . . . . . . . . . 5576 1 933 . 1 1 98 98 ILE HG23 H 1 0.978 0.000 . . . . . . . . . . 5576 1 934 . 1 1 98 98 ILE CG2 C 13 16.490 0.000 . . . . . . . . . . 5576 1 935 . 1 1 98 98 ILE CG1 C 13 27.172 0.000 . . . . . . . . . . 5576 1 936 . 1 1 98 98 ILE HG12 H 1 1.223 0.000 . . . . . . . . . . 5576 1 937 . 1 1 98 98 ILE HG13 H 1 1.634 0.000 . . . . . . . . . . 5576 1 938 . 1 1 98 98 ILE HD11 H 1 1.118 0.000 . . . . . . . . . . 5576 1 939 . 1 1 98 98 ILE HD12 H 1 1.118 0.000 . . . . . . . . . . 5576 1 940 . 1 1 98 98 ILE HD13 H 1 1.118 0.000 . . . . . . . . . . 5576 1 941 . 1 1 98 98 ILE CD1 C 13 13.383 0.000 . . . . . . . . . . 5576 1 942 . 1 1 99 99 PRO CD C 13 51.722 0.000 . . . . . . . . . . 5576 1 943 . 1 1 99 99 PRO CA C 13 62.714 0.000 . . . . . . . . . . 5576 1 944 . 1 1 99 99 PRO HA H 1 4.200 0.000 . . . . . . . . . . 5576 1 945 . 1 1 99 99 PRO CB C 13 32.805 0.000 . . . . . . . . . . 5576 1 946 . 1 1 99 99 PRO HB2 H 1 1.941 0.000 . . . . . . . . . . 5576 1 947 . 1 1 99 99 PRO HB3 H 1 2.232 0.000 . . . . . . . . . . 5576 1 948 . 1 1 99 99 PRO CG C 13 27.172 0.000 . . . . . . . . . . 5576 1 949 . 1 1 99 99 PRO HG2 H 1 1.959 0.000 . . . . . . . . . . 5576 1 950 . 1 1 99 99 PRO HG3 H 1 2.062 0.000 . . . . . . . . . . 5576 1 951 . 1 1 99 99 PRO HD2 H 1 3.812 0.000 . . . . . . . . . . 5576 1 952 . 1 1 100 100 PHE N N 15 123.036 0.000 . . . . . . . . . . 5576 1 953 . 1 1 100 100 PHE H H 1 8.711 0.000 . . . . . . . . . . 5576 1 954 . 1 1 100 100 PHE CA C 13 59.607 0.000 . . . . . . . . . . 5576 1 955 . 1 1 100 100 PHE HA H 1 4.201 0.000 . . . . . . . . . . 5576 1 956 . 1 1 100 100 PHE CB C 13 39.602 0.000 . . . . . . . . . . 5576 1 957 . 1 1 100 100 PHE HB2 H 1 2.546 0.000 . . . . . . . . . . 5576 1 958 . 1 1 100 100 PHE HB3 H 1 2.909 0.000 . . . . . . . . . . 5576 1 959 . 1 1 100 100 PHE HD1 H 1 6.264 0.001 . . . . . . . . . . 5576 1 960 . 1 1 100 100 PHE HE1 H 1 6.687 0.002 . . . . . . . . . . 5576 1 961 . 1 1 100 100 PHE CD1 C 13 130.040 0.000 . . . . . . . . . . 5576 1 962 . 1 1 100 100 PHE CE1 C 13 130.972 0.000 . . . . . . . . . . 5576 1 963 . 1 1 100 100 PHE CZ C 13 129.341 0.000 . . . . . . . . . . 5576 1 964 . 1 1 100 100 PHE HZ H 1 6.883 0.000 . . . . . . . . . . 5576 1 965 . 1 1 101 101 ASN N N 15 122.169 0.000 . . . . . . . . . . 5576 1 966 . 1 1 101 101 ASN H H 1 6.242 0.000 . . . . . . . . . . 5576 1 967 . 1 1 101 101 ASN CA C 13 51.838 0.000 . . . . . . . . . . 5576 1 968 . 1 1 101 101 ASN HA H 1 4.158 0.000 . . . . . . . . . . 5576 1 969 . 1 1 101 101 ASN HB2 H 1 2.642 0.000 . . . . . . . . . . 5576 1 970 . 1 1 101 101 ASN HB3 H 1 2.800 0.001 . . . . . . . . . . 5576 1 971 . 1 1 101 101 ASN ND2 N 15 116.386 0.000 . . . . . . . . . . 5576 1 972 . 1 1 101 101 ASN HD21 H 1 6.329 0.000 . . . . . . . . . . 5576 1 973 . 1 1 101 101 ASN HD22 H 1 7.707 0.000 . . . . . . . . . . 5576 1 974 . 1 1 103 103 THR N N 15 119.759 0.000 . . . . . . . . . . 5576 1 975 . 1 1 103 103 THR H H 1 8.106 0.000 . . . . . . . . . . 5576 1 976 . 1 1 103 103 THR CA C 13 65.433 0.000 . . . . . . . . . . 5576 1 977 . 1 1 103 103 THR HA H 1 4.005 0.000 . . . . . . . . . . 5576 1 978 . 1 1 103 103 THR CB C 13 68.347 0.000 . . . . . . . . . . 5576 1 979 . 1 1 103 103 THR HB H 1 3.952 0.000 . . . . . . . . . . 5576 1 980 . 1 1 103 103 THR HG21 H 1 1.068 0.000 . . . . . . . . . . 5576 1 981 . 1 1 103 103 THR HG22 H 1 1.068 0.000 . . . . . . . . . . 5576 1 982 . 1 1 103 103 THR HG23 H 1 1.068 0.000 . . . . . . . . . . 5576 1 983 . 1 1 103 103 THR CG2 C 13 21.579 0.000 . . . . . . . . . . 5576 1 984 . 1 1 104 104 ASN N N 15 120.241 0.000 . . . . . . . . . . 5576 1 985 . 1 1 104 104 ASN H H 1 7.978 0.000 . . . . . . . . . . 5576 1 986 . 1 1 104 104 ASN CA C 13 54.169 0.000 . . . . . . . . . . 5576 1 987 . 1 1 104 104 ASN HA H 1 4.136 0.000 . . . . . . . . . . 5576 1 988 . 1 1 104 104 ASN CB C 13 36.495 0.000 . . . . . . . . . . 5576 1 989 . 1 1 104 104 ASN HB2 H 1 1.303 0.000 . . . . . . . . . . 5576 1 990 . 1 1 104 104 ASN HB3 H 1 2.054 0.000 . . . . . . . . . . 5576 1 991 . 1 1 104 104 ASN ND2 N 15 112.338 0.000 . . . . . . . . . . 5576 1 992 . 1 1 104 104 ASN HD21 H 1 6.792 0.000 . . . . . . . . . . 5576 1 993 . 1 1 104 104 ASN HD22 H 1 8.014 0.000 . . . . . . . . . . 5576 1 994 . 1 1 105 105 LYS N N 15 110.024 0.000 . . . . . . . . . . 5576 1 995 . 1 1 105 105 LYS H H 1 7.941 0.000 . . . . . . . . . . 5576 1 996 . 1 1 105 105 LYS CA C 13 57.859 0.000 . . . . . . . . . . 5576 1 997 . 1 1 105 105 LYS HA H 1 3.546 0.000 . . . . . . . . . . 5576 1 998 . 1 1 105 105 LYS CB C 13 29.891 0.000 . . . . . . . . . . 5576 1 999 . 1 1 105 105 LYS HB2 H 1 1.543 0.000 . . . . . . . . . . 5576 1 1000 . 1 1 105 105 LYS HB3 H 1 1.740 0.000 . . . . . . . . . . 5576 1 1001 . 1 1 105 105 LYS CG C 13 26.201 0.000 . . . . . . . . . . 5576 1 1002 . 1 1 105 105 LYS HG2 H 1 1.173 0.000 . . . . . . . . . . 5576 1 1003 . 1 1 105 105 LYS CE C 13 42.731 0.000 . . . . . . . . . . 5576 1 1004 . 1 1 105 105 LYS HE2 H 1 3.059 0.000 . . . . . . . . . . 5576 1 1005 . 1 1 105 105 LYS HE3 H 1 3.125 0.000 . . . . . . . . . . 5576 1 1006 . 1 1 106 106 TYR N N 15 107.422 0.000 . . . . . . . . . . 5576 1 1007 . 1 1 106 106 TYR H H 1 6.624 0.001 . . . . . . . . . . 5576 1 1008 . 1 1 106 106 TYR CA C 13 55.777 0.000 . . . . . . . . . . 5576 1 1009 . 1 1 106 106 TYR HA H 1 5.614 0.000 . . . . . . . . . . 5576 1 1010 . 1 1 106 106 TYR CB C 13 41.180 0.000 . . . . . . . . . . 5576 1 1011 . 1 1 106 106 TYR HB2 H 1 2.841 0.000 . . . . . . . . . . 5576 1 1012 . 1 1 106 106 TYR HB3 H 1 2.972 0.000 . . . . . . . . . . 5576 1 1013 . 1 1 106 106 TYR HD1 H 1 6.576 0.000 . . . . . . . . . . 5576 1 1014 . 1 1 106 106 TYR HE1 H 1 6.538 0.000 . . . . . . . . . . 5576 1 1015 . 1 1 106 106 TYR CD1 C 13 133.536 0.000 . . . . . . . . . . 5576 1 1016 . 1 1 106 106 TYR CE1 C 13 117.455 0.000 . . . . . . . . . . 5576 1 1017 . 1 1 107 107 GLN N N 15 122.072 0.000 . . . . . . . . . . 5576 1 1018 . 1 1 107 107 GLN H H 1 9.378 0.000 . . . . . . . . . . 5576 1 1019 . 1 1 107 107 GLN HA H 1 4.797 0.005 . . . . . . . . . . 5576 1 1020 . 1 1 107 107 GLN CB C 13 35.912 0.000 . . . . . . . . . . 5576 1 1021 . 1 1 107 107 GLN HB2 H 1 1.850 0.000 . . . . . . . . . . 5576 1 1022 . 1 1 107 107 GLN HB3 H 1 2.332 0.001 . . . . . . . . . . 5576 1 1023 . 1 1 107 107 GLN CG C 13 34.553 0.000 . . . . . . . . . . 5576 1 1024 . 1 1 107 107 GLN HG2 H 1 2.935 0.000 . . . . . . . . . . 5576 1 1025 . 1 1 108 108 LEU N N 15 124.675 0.000 . . . . . . . . . . 5576 1 1026 . 1 1 108 108 LEU H H 1 8.469 0.000 . . . . . . . . . . 5576 1 1027 . 1 1 108 108 LEU CA C 13 53.974 0.000 . . . . . . . . . . 5576 1 1028 . 1 1 108 108 LEU HA H 1 5.697 0.000 . . . . . . . . . . 5576 1 1029 . 1 1 108 108 LEU CB C 13 47.371 0.000 . . . . . . . . . . 5576 1 1030 . 1 1 108 108 LEU HB2 H 1 1.644 0.000 . . . . . . . . . . 5576 1 1031 . 1 1 108 108 LEU HB3 H 1 1.837 0.000 . . . . . . . . . . 5576 1 1032 . 1 1 108 108 LEU CG C 13 26.590 0.000 . . . . . . . . . . 5576 1 1033 . 1 1 108 108 LEU HG H 1 1.822 0.000 . . . . . . . . . . 5576 1 1034 . 1 1 108 108 LEU HD11 H 1 0.855 0.000 . . . . . . . . . . 5576 1 1035 . 1 1 108 108 LEU HD12 H 1 0.855 0.000 . . . . . . . . . . 5576 1 1036 . 1 1 108 108 LEU HD13 H 1 0.855 0.000 . . . . . . . . . . 5576 1 1037 . 1 1 108 108 LEU HD21 H 1 0.788 0.000 . . . . . . . . . . 5576 1 1038 . 1 1 108 108 LEU HD22 H 1 0.788 0.000 . . . . . . . . . . 5576 1 1039 . 1 1 108 108 LEU HD23 H 1 0.788 0.000 . . . . . . . . . . 5576 1 1040 . 1 1 108 108 LEU CD1 C 13 26.007 0.000 . . . . . . . . . . 5576 1 1041 . 1 1 108 108 LEU CD2 C 13 26.784 0.000 . . . . . . . . . . 5576 1 1042 . 1 1 109 109 SER N N 15 116.675 0.000 . . . . . . . . . . 5576 1 1043 . 1 1 109 109 SER H H 1 9.357 0.000 . . . . . . . . . . 5576 1 1044 . 1 1 109 109 SER CA C 13 58.830 0.000 . . . . . . . . . . 5576 1 1045 . 1 1 109 109 SER HA H 1 4.667 0.001 . . . . . . . . . . 5576 1 1046 . 1 1 109 109 SER CB C 13 63.103 0.000 . . . . . . . . . . 5576 1 1047 . 1 1 109 109 SER HB2 H 1 3.775 0.000 . . . . . . . . . . 5576 1 1048 . 1 1 109 109 SER HB3 H 1 4.006 0.000 . . . . . . . . . . 5576 1 1049 . 1 1 110 110 ILE N N 15 119.759 0.000 . . . . . . . . . . 5576 1 1050 . 1 1 110 110 ILE H H 1 7.993 0.000 . . . . . . . . . . 5576 1 1051 . 1 1 110 110 ILE CA C 13 59.895 0.000 . . . . . . . . . . 5576 1 1052 . 1 1 110 110 ILE HA H 1 4.988 0.000 . . . . . . . . . . 5576 1 1053 . 1 1 110 110 ILE CB C 13 39.408 0.000 . . . . . . . . . . 5576 1 1054 . 1 1 110 110 ILE HB H 1 0.642 0.000 . . . . . . . . . . 5576 1 1055 . 1 1 110 110 ILE HG21 H 1 -0.126 0.000 . . . . . . . . . . 5576 1 1056 . 1 1 110 110 ILE HG22 H 1 -0.126 0.000 . . . . . . . . . . 5576 1 1057 . 1 1 110 110 ILE HG23 H 1 -0.126 0.000 . . . . . . . . . . 5576 1 1058 . 1 1 110 110 ILE CG2 C 13 16.296 0.000 . . . . . . . . . . 5576 1 1059 . 1 1 110 110 ILE CG1 C 13 27.755 0.000 . . . . . . . . . . 5576 1 1060 . 1 1 110 110 ILE HG12 H 1 0.122 0.000 . . . . . . . . . . 5576 1 1061 . 1 1 110 110 ILE HG13 H 1 0.626 0.000 . . . . . . . . . . 5576 1 1062 . 1 1 110 110 ILE HD11 H 1 -0.873 0.000 . . . . . . . . . . 5576 1 1063 . 1 1 110 110 ILE HD12 H 1 -0.873 0.000 . . . . . . . . . . 5576 1 1064 . 1 1 110 110 ILE HD13 H 1 -0.873 0.000 . . . . . . . . . . 5576 1 1065 . 1 1 110 110 ILE CD1 C 13 11.440 0.000 . . . . . . . . . . 5576 1 1066 . 1 1 111 111 HIS N N 15 127.181 0.000 . . . . . . . . . . 5576 1 1067 . 1 1 111 111 HIS H H 1 9.480 0.000 . . . . . . . . . . 5576 1 1068 . 1 1 111 111 HIS CA C 13 54.238 0.000 . . . . . . . . . . 5576 1 1069 . 1 1 111 111 HIS HA H 1 5.270 0.000 . . . . . . . . . . 5576 1 1070 . 1 1 111 111 HIS CB C 13 32.610 0.000 . . . . . . . . . . 5576 1 1071 . 1 1 111 111 HIS HB2 H 1 2.587 0.000 . . . . . . . . . . 5576 1 1072 . 1 1 111 111 HIS HB3 H 1 3.067 0.000 . . . . . . . . . . 5576 1 1073 . 1 1 111 111 HIS CD2 C 13 129.341 0.000 . . . . . . . . . . 5576 1 1074 . 1 1 111 111 HIS HD1 H 1 11.510 0.000 . . . . . . . . . . 5576 1 1075 . 1 1 111 111 HIS CE1 C 13 137.265 0.000 . . . . . . . . . . 5576 1 1076 . 1 1 111 111 HIS HD2 H 1 6.685 0.000 . . . . . . . . . . 5576 1 1077 . 1 1 111 111 HIS HE1 H 1 7.740 0.000 . . . . . . . . . . 5576 1 1078 . 1 1 112 112 LYS N N 15 123.711 0.000 . . . . . . . . . . 5576 1 1079 . 1 1 112 112 LYS H H 1 9.041 0.000 . . . . . . . . . . 5576 1 1080 . 1 1 112 112 LYS CA C 13 56.354 0.000 . . . . . . . . . . 5576 1 1081 . 1 1 112 112 LYS HA H 1 4.571 0.000 . . . . . . . . . . 5576 1 1082 . 1 1 112 112 LYS CB C 13 33.193 0.000 . . . . . . . . . . 5576 1 1083 . 1 1 112 112 LYS HB2 H 1 1.807 0.000 . . . . . . . . . . 5576 1 1084 . 1 1 112 112 LYS HB3 H 1 1.928 0.000 . . . . . . . . . . 5576 1 1085 . 1 1 112 112 LYS CG C 13 25.310 0.000 . . . . . . . . . . 5576 1 1086 . 1 1 112 112 LYS HG2 H 1 1.483 0.000 . . . . . . . . . . 5576 1 1087 . 1 1 112 112 LYS HG3 H 1 1.551 0.000 . . . . . . . . . . 5576 1 1088 . 1 1 112 112 LYS CD C 13 28.920 0.000 . . . . . . . . . . 5576 1 1089 . 1 1 112 112 LYS HD2 H 1 1.726 0.000 . . . . . . . . . . 5576 1 1090 . 1 1 112 112 LYS CE C 13 41.804 0.000 . . . . . . . . . . 5576 1 1091 . 1 1 112 112 LYS HE2 H 1 2.916 0.000 . . . . . . . . . . 5576 1 1092 . 1 1 112 112 LYS HE3 H 1 3.022 0.000 . . . . . . . . . . 5576 1 1093 . 1 1 113 113 ASN N N 15 120.241 0.000 . . . . . . . . . . 5576 1 1094 . 1 1 113 113 ASN H H 1 8.384 0.001 . . . . . . . . . . 5576 1 1095 . 1 1 113 113 ASN CA C 13 48.925 0.000 . . . . . . . . . . 5576 1 1096 . 1 1 113 113 ASN HA H 1 5.066 0.000 . . . . . . . . . . 5576 1 1097 . 1 1 113 113 ASN CB C 13 40.185 0.000 . . . . . . . . . . 5576 1 1098 . 1 1 113 113 ASN HB2 H 1 2.078 0.000 . . . . . . . . . . 5576 1 1099 . 1 1 113 113 ASN HB3 H 1 3.733 0.000 . . . . . . . . . . 5576 1 1100 . 1 1 114 114 PRO CD C 13 49.896 0.000 . . . . . . . . . . 5576 1 1101 . 1 1 114 114 PRO CA C 13 62.764 0.000 . . . . . . . . . . 5576 1 1102 . 1 1 114 114 PRO HA H 1 4.446 0.000 . . . . . . . . . . 5576 1 1103 . 1 1 114 114 PRO CB C 13 32.027 0.002 . . . . . . . . . . 5576 1 1104 . 1 1 114 114 PRO HB2 H 1 1.975 0.000 . . . . . . . . . . 5576 1 1105 . 1 1 114 114 PRO CG C 13 25.813 0.000 . . . . . . . . . . 5576 1 1106 . 1 1 114 114 PRO HG2 H 1 1.346 0.000 . . . . . . . . . . 5576 1 1107 . 1 1 114 114 PRO HG3 H 1 1.476 0.000 . . . . . . . . . . 5576 1 1108 . 1 1 114 114 PRO HD2 H 1 3.204 0.000 . . . . . . . . . . 5576 1 1109 . 1 1 114 114 PRO HD3 H 1 3.227 0.000 . . . . . . . . . . 5576 1 1110 . 1 1 115 115 ASN N N 15 122.169 0.000 . . . . . . . . . . 5576 1 1111 . 1 1 115 115 ASN H H 1 7.913 0.001 . . . . . . . . . . 5576 1 1112 . 1 1 115 115 ASN CA C 13 53.668 0.000 . . . . . . . . . . 5576 1 1113 . 1 1 115 115 ASN HA H 1 4.429 0.000 . . . . . . . . . . 5576 1 1114 . 1 1 115 115 ASN CB C 13 38.331 0.000 . . . . . . . . . . 5576 1 1115 . 1 1 115 115 ASN HB2 H 1 2.789 0.000 . . . . . . . . . . 5576 1 1116 . 1 1 115 115 ASN HB3 H 1 2.825 0.000 . . . . . . . . . . 5576 1 1117 . 1 1 117 117 SER CA C 13 58.636 0.000 . . . . . . . . . . 5576 1 1118 . 1 1 117 117 SER HA H 1 4.329 0.000 . . . . . . . . . . 5576 1 1119 . 1 1 117 117 SER CB C 13 63.103 0.000 . . . . . . . . . . 5576 1 1120 . 1 1 117 117 SER HB2 H 1 3.849 0.000 . . . . . . . . . . 5576 1 1121 . 1 1 117 117 SER HB3 H 1 3.975 0.000 . . . . . . . . . . 5576 1 1122 . 1 1 118 118 GLU N N 15 123.518 0.000 . . . . . . . . . . 5576 1 1123 . 1 1 118 118 GLU H H 1 7.751 0.001 . . . . . . . . . . 5576 1 1124 . 1 1 118 118 GLU HA H 1 4.735 0.000 . . . . . . . . . . 5576 1 1125 . 1 1 119 119 PRO CD C 13 50.759 0.000 . . . . . . . . . . 5576 1 1126 . 1 1 119 119 PRO HA H 1 4.743 0.000 . . . . . . . . . . 5576 1 1127 . 1 1 119 119 PRO CB C 13 33.073 0.000 . . . . . . . . . . 5576 1 1128 . 1 1 119 119 PRO HB2 H 1 1.908 0.000 . . . . . . . . . . 5576 1 1129 . 1 1 119 119 PRO HB3 H 1 2.716 0.000 . . . . . . . . . . 5576 1 1130 . 1 1 119 119 PRO CG C 13 28.290 0.000 . . . . . . . . . . 5576 1 1131 . 1 1 119 119 PRO HG2 H 1 1.770 0.000 . . . . . . . . . . 5576 1 1132 . 1 1 119 119 PRO HG3 H 1 1.888 0.000 . . . . . . . . . . 5576 1 1133 . 1 1 119 119 PRO HD2 H 1 3.453 0.000 . . . . . . . . . . 5576 1 1134 . 1 1 119 119 PRO HD3 H 1 3.828 0.000 . . . . . . . . . . 5576 1 1135 . 1 1 120 120 LYS N N 15 119.277 0.000 . . . . . . . . . . 5576 1 1136 . 1 1 120 120 LYS H H 1 9.670 0.000 . . . . . . . . . . 5576 1 1137 . 1 1 120 120 LYS CA C 13 58.047 0.000 . . . . . . . . . . 5576 1 1138 . 1 1 120 120 LYS HA H 1 4.208 0.000 . . . . . . . . . . 5576 1 1139 . 1 1 120 120 LYS CB C 13 32.416 0.000 . . . . . . . . . . 5576 1 1140 . 1 1 120 120 LYS HB2 H 1 1.300 0.000 . . . . . . . . . . 5576 1 1141 . 1 1 120 120 LYS HB3 H 1 1.585 0.000 . . . . . . . . . . 5576 1 1142 . 1 1 120 120 LYS CG C 13 25.203 0.000 . . . . . . . . . . 5576 1 1143 . 1 1 120 120 LYS HG2 H 1 1.505 0.000 . . . . . . . . . . 5576 1 1144 . 1 1 120 120 LYS HG3 H 1 1.556 0.000 . . . . . . . . . . 5576 1 1145 . 1 1 120 120 LYS CD C 13 28.421 0.000 . . . . . . . . . . 5576 1 1146 . 1 1 120 120 LYS HD2 H 1 1.603 0.000 . . . . . . . . . . 5576 1 1147 . 1 1 120 120 LYS HD3 H 1 1.703 0.000 . . . . . . . . . . 5576 1 1148 . 1 1 120 120 LYS CE C 13 42.599 0.000 . . . . . . . . . . 5576 1 1149 . 1 1 120 120 LYS HE2 H 1 2.955 0.000 . . . . . . . . . . 5576 1 1150 . 1 1 120 120 LYS HE3 H 1 3.009 0.000 . . . . . . . . . . 5576 1 1151 . 1 1 121 121 HIS N N 15 115.615 0.000 . . . . . . . . . . 5576 1 1152 . 1 1 121 121 HIS H H 1 8.417 0.000 . . . . . . . . . . 5576 1 1153 . 1 1 121 121 HIS CA C 13 56.111 0.000 . . . . . . . . . . 5576 1 1154 . 1 1 121 121 HIS HA H 1 5.464 0.000 . . . . . . . . . . 5576 1 1155 . 1 1 121 121 HIS CB C 13 31.445 0.000 . . . . . . . . . . 5576 1 1156 . 1 1 121 121 HIS HB2 H 1 2.546 0.000 . . . . . . . . . . 5576 1 1157 . 1 1 121 121 HIS HB3 H 1 2.957 0.000 . . . . . . . . . . 5576 1 1158 . 1 1 121 121 HIS CD2 C 13 127.476 0.000 . . . . . . . . . . 5576 1 1159 . 1 1 121 121 HIS HD1 H 1 11.415 0.000 . . . . . . . . . . 5576 1 1160 . 1 1 121 121 HIS CE1 C 13 139.362 0.000 . . . . . . . . . . 5576 1 1161 . 1 1 121 121 HIS HD2 H 1 6.658 0.000 . . . . . . . . . . 5576 1 1162 . 1 1 121 121 HIS HE1 H 1 7.652 0.000 . . . . . . . . . . 5576 1 1163 . 1 1 122 122 LEU N N 15 128.337 0.000 . . . . . . . . . . 5576 1 1164 . 1 1 122 122 LEU H H 1 9.428 0.002 . . . . . . . . . . 5576 1 1165 . 1 1 122 122 LEU HA H 1 4.784 0.003 . . . . . . . . . . 5576 1 1166 . 1 1 122 122 LEU CB C 13 46.480 0.000 . . . . . . . . . . 5576 1 1167 . 1 1 122 122 LEU HB2 H 1 1.250 0.000 . . . . . . . . . . 5576 1 1168 . 1 1 122 122 LEU HB3 H 1 1.586 0.000 . . . . . . . . . . 5576 1 1169 . 1 1 122 122 LEU CG C 13 27.362 0.000 . . . . . . . . . . 5576 1 1170 . 1 1 122 122 LEU HG H 1 1.147 0.000 . . . . . . . . . . 5576 1 1171 . 1 1 122 122 LEU HD11 H 1 0.465 0.000 . . . . . . . . . . 5576 1 1172 . 1 1 122 122 LEU HD12 H 1 0.465 0.000 . . . . . . . . . . 5576 1 1173 . 1 1 122 122 LEU HD13 H 1 0.465 0.000 . . . . . . . . . . 5576 1 1174 . 1 1 122 122 LEU HD21 H 1 0.218 0.000 . . . . . . . . . . 5576 1 1175 . 1 1 122 122 LEU HD22 H 1 0.218 0.000 . . . . . . . . . . 5576 1 1176 . 1 1 122 122 LEU HD23 H 1 0.218 0.000 . . . . . . . . . . 5576 1 1177 . 1 1 122 122 LEU CD1 C 13 22.910 0.000 . . . . . . . . . . 5576 1 1178 . 1 1 122 122 LEU CD2 C 13 26.007 0.000 . . . . . . . . . . 5576 1 1179 . 1 1 123 123 LEU N N 15 132.386 0.000 . . . . . . . . . . 5576 1 1180 . 1 1 123 123 LEU H H 1 8.975 0.000 . . . . . . . . . . 5576 1 1181 . 1 1 123 123 LEU CA C 13 54.597 0.000 . . . . . . . . . . 5576 1 1182 . 1 1 123 123 LEU HA H 1 5.053 0.000 . . . . . . . . . . 5576 1 1183 . 1 1 123 123 LEU CB C 13 44.846 0.000 . . . . . . . . . . 5576 1 1184 . 1 1 123 123 LEU HB2 H 1 1.250 0.000 . . . . . . . . . . 5576 1 1185 . 1 1 123 123 LEU HB3 H 1 1.827 0.000 . . . . . . . . . . 5576 1 1186 . 1 1 123 123 LEU HD11 H 1 0.933 0.000 . . . . . . . . . . 5576 1 1187 . 1 1 123 123 LEU HD12 H 1 0.933 0.000 . . . . . . . . . . 5576 1 1188 . 1 1 123 123 LEU HD13 H 1 0.933 0.000 . . . . . . . . . . 5576 1 1189 . 1 1 123 123 LEU HD21 H 1 0.686 0.000 . . . . . . . . . . 5576 1 1190 . 1 1 123 123 LEU HD22 H 1 0.686 0.000 . . . . . . . . . . 5576 1 1191 . 1 1 123 123 LEU HD23 H 1 0.686 0.000 . . . . . . . . . . 5576 1 1192 . 1 1 123 123 LEU CD1 C 13 28.726 0.000 . . . . . . . . . . 5576 1 1193 . 1 1 123 123 LEU CD2 C 13 25.036 0.000 . . . . . . . . . . 5576 1 1194 . 1 1 124 124 VAL N N 15 118.121 0.000 . . . . . . . . . . 5576 1 1195 . 1 1 124 124 VAL H H 1 9.367 0.001 . . . . . . . . . . 5576 1 1196 . 1 1 124 124 VAL CA C 13 59.607 0.000 . . . . . . . . . . 5576 1 1197 . 1 1 124 124 VAL HA H 1 4.987 0.000 . . . . . . . . . . 5576 1 1198 . 1 1 124 124 VAL CB C 13 35.169 0.000 . . . . . . . . . . 5576 1 1199 . 1 1 124 124 VAL HB H 1 2.192 0.000 . . . . . . . . . . 5576 1 1200 . 1 1 124 124 VAL HG11 H 1 0.694 0.000 . . . . . . . . . . 5576 1 1201 . 1 1 124 124 VAL HG12 H 1 0.694 0.000 . . . . . . . . . . 5576 1 1202 . 1 1 124 124 VAL HG13 H 1 0.694 0.000 . . . . . . . . . . 5576 1 1203 . 1 1 124 124 VAL HG21 H 1 0.992 0.000 . . . . . . . . . . 5576 1 1204 . 1 1 124 124 VAL HG22 H 1 0.992 0.000 . . . . . . . . . . 5576 1 1205 . 1 1 124 124 VAL HG23 H 1 0.992 0.000 . . . . . . . . . . 5576 1 1206 . 1 1 124 124 VAL CG1 C 13 22.899 0.000 . . . . . . . . . . 5576 1 1207 . 1 1 124 124 VAL CG2 C 13 20.375 0.000 . . . . . . . . . . 5576 1 1208 . 1 1 125 125 MET N N 15 123.807 0.000 . . . . . . . . . . 5576 1 1209 . 1 1 125 125 MET H H 1 8.464 0.000 . . . . . . . . . . 5576 1 1210 . 1 1 125 125 MET CA C 13 55.528 0.000 . . . . . . . . . . 5576 1 1211 . 1 1 125 125 MET HA H 1 5.528 0.000 . . . . . . . . . . 5576 1 1212 . 1 1 125 125 MET CB C 13 36.883 0.000 . . . . . . . . . . 5576 1 1213 . 1 1 125 125 MET HB2 H 1 1.776 0.000 . . . . . . . . . . 5576 1 1214 . 1 1 125 125 MET HB3 H 1 1.893 0.000 . . . . . . . . . . 5576 1 1215 . 1 1 125 125 MET CG C 13 31.833 0.000 . . . . . . . . . . 5576 1 1216 . 1 1 125 125 MET HG2 H 1 1.910 0.000 . . . . . . . . . . 5576 1 1217 . 1 1 125 125 MET HG3 H 1 2.312 0.000 . . . . . . . . . . 5576 1 1218 . 1 1 125 125 MET HE1 H 1 1.066 0.000 . . . . . . . . . . 5576 1 1219 . 1 1 125 125 MET HE2 H 1 1.066 0.000 . . . . . . . . . . 5576 1 1220 . 1 1 125 125 MET HE3 H 1 1.066 0.000 . . . . . . . . . . 5576 1 1221 . 1 1 125 125 MET CE C 13 16.879 0.000 . . . . . . . . . . 5576 1 1222 . 1 1 126 126 LYS N N 15 122.747 0.000 . . . . . . . . . . 5576 1 1223 . 1 1 126 126 LYS H H 1 8.475 0.000 . . . . . . . . . . 5576 1 1224 . 1 1 126 126 LYS CA C 13 53.003 0.000 . . . . . . . . . . 5576 1 1225 . 1 1 126 126 LYS HA H 1 5.491 0.000 . . . . . . . . . . 5576 1 1226 . 1 1 126 126 LYS CB C 13 37.272 0.000 . . . . . . . . . . 5576 1 1227 . 1 1 126 126 LYS HB2 H 1 1.030 0.000 . . . . . . . . . . 5576 1 1228 . 1 1 126 126 LYS HB3 H 1 1.221 0.000 . . . . . . . . . . 5576 1 1229 . 1 1 126 126 LYS HG2 H 1 0.985 0.000 . . . . . . . . . . 5576 1 1230 . 1 1 127 127 GLY N N 15 106.940 0.000 . . . . . . . . . . 5576 1 1231 . 1 1 127 127 GLY H H 1 8.314 0.000 . . . . . . . . . . 5576 1 1232 . 1 1 127 127 GLY HA3 H 1 5.110 0.000 . . . . . . . . . . 5576 1 1233 . 1 1 128 128 ALA N N 15 126.988 0.000 . . . . . . . . . . 5576 1 1234 . 1 1 128 128 ALA H H 1 8.711 0.000 . . . . . . . . . . 5576 1 1235 . 1 1 128 128 ALA CA C 13 50.867 0.000 . . . . . . . . . . 5576 1 1236 . 1 1 128 128 ALA HA H 1 4.907 0.000 . . . . . . . . . . 5576 1 1237 . 1 1 128 128 ALA HB1 H 1 1.674 0.000 . . . . . . . . . . 5576 1 1238 . 1 1 128 128 ALA HB2 H 1 1.674 0.000 . . . . . . . . . . 5576 1 1239 . 1 1 128 128 ALA HB3 H 1 1.674 0.000 . . . . . . . . . . 5576 1 1240 . 1 1 128 128 ALA CB C 13 18.432 0.000 . . . . . . . . . . 5576 1 1241 . 1 1 129 129 PRO CD C 13 50.867 0.000 . . . . . . . . . . 5576 1 1242 . 1 1 129 129 PRO CA C 13 67.570 0.000 . . . . . . . . . . 5576 1 1243 . 1 1 129 129 PRO HA H 1 3.788 0.000 . . . . . . . . . . 5576 1 1244 . 1 1 129 129 PRO CB C 13 32.416 0.000 . . . . . . . . . . 5576 1 1245 . 1 1 129 129 PRO HB2 H 1 1.360 0.001 . . . . . . . . . . 5576 1 1246 . 1 1 129 129 PRO HB3 H 1 1.878 0.000 . . . . . . . . . . 5576 1 1247 . 1 1 129 129 PRO CG C 13 28.920 0.000 . . . . . . . . . . 5576 1 1248 . 1 1 129 129 PRO HG2 H 1 1.495 0.000 . . . . . . . . . . 5576 1 1249 . 1 1 129 129 PRO HG3 H 1 1.725 0.000 . . . . . . . . . . 5576 1 1250 . 1 1 129 129 PRO HD2 H 1 3.950 0.000 . . . . . . . . . . 5576 1 1251 . 1 1 129 129 PRO HD3 H 1 4.401 0.000 . . . . . . . . . . 5576 1 1252 . 1 1 130 130 GLU N N 15 116.193 0.000 . . . . . . . . . . 5576 1 1253 . 1 1 130 130 GLU H H 1 9.940 0.000 . . . . . . . . . . 5576 1 1254 . 1 1 130 130 GLU CA C 13 59.607 0.000 . . . . . . . . . . 5576 1 1255 . 1 1 130 130 GLU HA H 1 3.968 0.000 . . . . . . . . . . 5576 1 1256 . 1 1 130 130 GLU CB C 13 28.726 0.000 . . . . . . . . . . 5576 1 1257 . 1 1 130 130 GLU HB2 H 1 2.048 0.000 . . . . . . . . . . 5576 1 1258 . 1 1 130 130 GLU HB3 H 1 2.209 0.000 . . . . . . . . . . 5576 1 1259 . 1 1 130 130 GLU CG C 13 36.883 0.000 . . . . . . . . . . 5576 1 1260 . 1 1 130 130 GLU HG2 H 1 2.348 0.000 . . . . . . . . . . 5576 1 1261 . 1 1 130 130 GLU HG3 H 1 2.407 0.000 . . . . . . . . . . 5576 1 1262 . 1 1 131 131 ARG N N 15 117.542 0.000 . . . . . . . . . . 5576 1 1263 . 1 1 131 131 ARG H H 1 7.041 0.000 . . . . . . . . . . 5576 1 1264 . 1 1 131 131 ARG CA C 13 56.888 0.000 . . . . . . . . . . 5576 1 1265 . 1 1 131 131 ARG HA H 1 4.289 0.000 . . . . . . . . . . 5576 1 1266 . 1 1 131 131 ARG CB C 13 29.503 0.000 . . . . . . . . . . 5576 1 1267 . 1 1 131 131 ARG HB2 H 1 2.035 0.000 . . . . . . . . . . 5576 1 1268 . 1 1 131 131 ARG HB3 H 1 2.070 0.000 . . . . . . . . . . 5576 1 1269 . 1 1 131 131 ARG CG C 13 27.172 0.000 . . . . . . . . . . 5576 1 1270 . 1 1 131 131 ARG HG2 H 1 1.810 0.000 . . . . . . . . . . 5576 1 1271 . 1 1 131 131 ARG CD C 13 42.710 0.000 . . . . . . . . . . 5576 1 1272 . 1 1 131 131 ARG HD2 H 1 3.314 0.000 . . . . . . . . . . 5576 1 1273 . 1 1 131 131 ARG HD3 H 1 3.374 0.000 . . . . . . . . . . 5576 1 1274 . 1 1 132 132 ILE N N 15 118.795 0.000 . . . . . . . . . . 5576 1 1275 . 1 1 132 132 ILE H H 1 7.849 0.002 . . . . . . . . . . 5576 1 1276 . 1 1 132 132 ILE CA C 13 61.161 0.000 . . . . . . . . . . 5576 1 1277 . 1 1 132 132 ILE HA H 1 3.673 0.000 . . . . . . . . . . 5576 1 1278 . 1 1 132 132 ILE CB C 13 35.718 0.000 . . . . . . . . . . 5576 1 1279 . 1 1 132 132 ILE HB H 1 2.159 0.000 . . . . . . . . . . 5576 1 1280 . 1 1 132 132 ILE HG21 H 1 0.846 0.000 . . . . . . . . . . 5576 1 1281 . 1 1 132 132 ILE HG22 H 1 0.846 0.000 . . . . . . . . . . 5576 1 1282 . 1 1 132 132 ILE HG23 H 1 0.846 0.000 . . . . . . . . . . 5576 1 1283 . 1 1 132 132 ILE CG2 C 13 18.044 0.000 . . . . . . . . . . 5576 1 1284 . 1 1 132 132 ILE CG1 C 13 26.978 0.000 . . . . . . . . . . 5576 1 1285 . 1 1 132 132 ILE HG12 H 1 0.956 0.000 . . . . . . . . . . 5576 1 1286 . 1 1 132 132 ILE HG13 H 1 1.564 0.000 . . . . . . . . . . 5576 1 1287 . 1 1 132 132 ILE HD11 H 1 0.432 0.000 . . . . . . . . . . 5576 1 1288 . 1 1 132 132 ILE HD12 H 1 0.432 0.000 . . . . . . . . . . 5576 1 1289 . 1 1 132 132 ILE HD13 H 1 0.432 0.000 . . . . . . . . . . 5576 1 1290 . 1 1 132 132 ILE CD1 C 13 9.693 0.000 . . . . . . . . . . 5576 1 1291 . 1 1 133 133 LEU N N 15 122.265 0.000 . . . . . . . . . . 5576 1 1292 . 1 1 133 133 LEU H H 1 8.366 0.000 . . . . . . . . . . 5576 1 1293 . 1 1 133 133 LEU CA C 13 58.729 0.000 . . . . . . . . . . 5576 1 1294 . 1 1 133 133 LEU HA H 1 3.520 0.000 . . . . . . . . . . 5576 1 1295 . 1 1 133 133 LEU CB C 13 40.185 0.000 . . . . . . . . . . 5576 1 1296 . 1 1 133 133 LEU HB2 H 1 0.656 0.000 . . . . . . . . . . 5576 1 1297 . 1 1 133 133 LEU HB3 H 1 1.375 0.000 . . . . . . . . . . 5576 1 1298 . 1 1 133 133 LEU CG C 13 25.635 0.000 . . . . . . . . . . 5576 1 1299 . 1 1 133 133 LEU HG H 1 1.126 0.000 . . . . . . . . . . 5576 1 1300 . 1 1 133 133 LEU HD11 H 1 -0.157 0.000 . . . . . . . . . . 5576 1 1301 . 1 1 133 133 LEU HD12 H 1 -0.157 0.000 . . . . . . . . . . 5576 1 1302 . 1 1 133 133 LEU HD13 H 1 -0.157 0.000 . . . . . . . . . . 5576 1 1303 . 1 1 133 133 LEU HD21 H 1 0.070 0.000 . . . . . . . . . . 5576 1 1304 . 1 1 133 133 LEU HD22 H 1 0.070 0.000 . . . . . . . . . . 5576 1 1305 . 1 1 133 133 LEU HD23 H 1 0.070 0.000 . . . . . . . . . . 5576 1 1306 . 1 1 133 133 LEU CD1 C 13 22.317 0.000 . . . . . . . . . . 5576 1 1307 . 1 1 133 133 LEU CD2 C 13 24.453 0.000 . . . . . . . . . . 5576 1 1308 . 1 1 134 134 ASP N N 15 115.133 0.000 . . . . . . . . . . 5576 1 1309 . 1 1 134 134 ASP H H 1 7.125 0.000 . . . . . . . . . . 5576 1 1310 . 1 1 134 134 ASP CA C 13 56.499 0.000 . . . . . . . . . . 5576 1 1311 . 1 1 134 134 ASP HA H 1 4.356 0.000 . . . . . . . . . . 5576 1 1312 . 1 1 134 134 ASP CB C 13 41.156 0.000 . . . . . . . . . . 5576 1 1313 . 1 1 134 134 ASP HB2 H 1 2.656 0.000 . . . . . . . . . . 5576 1 1314 . 1 1 134 134 ASP HB3 H 1 2.684 0.000 . . . . . . . . . . 5576 1 1315 . 1 1 135 135 ARG N N 15 116.868 0.000 . . . . . . . . . . 5576 1 1316 . 1 1 135 135 ARG H H 1 7.387 0.002 . . . . . . . . . . 5576 1 1317 . 1 1 135 135 ARG CA C 13 55.528 0.000 . . . . . . . . . . 5576 1 1318 . 1 1 135 135 ARG HA H 1 4.498 0.000 . . . . . . . . . . 5576 1 1319 . 1 1 135 135 ARG CB C 13 30.474 0.000 . . . . . . . . . . 5576 1 1320 . 1 1 135 135 ARG HB2 H 1 1.697 0.000 . . . . . . . . . . 5576 1 1321 . 1 1 135 135 ARG HB3 H 1 2.220 0.000 . . . . . . . . . . 5576 1 1322 . 1 1 135 135 ARG CG C 13 27.755 0.000 . . . . . . . . . . 5576 1 1323 . 1 1 135 135 ARG HG2 H 1 1.528 0.000 . . . . . . . . . . 5576 1 1324 . 1 1 135 135 ARG HG3 H 1 1.784 0.000 . . . . . . . . . . 5576 1 1325 . 1 1 135 135 ARG CD C 13 43.098 0.000 . . . . . . . . . . 5576 1 1326 . 1 1 135 135 ARG HD2 H 1 2.857 0.000 . . . . . . . . . . 5576 1 1327 . 1 1 135 135 ARG HD3 H 1 3.065 0.000 . . . . . . . . . . 5576 1 1328 . 1 1 136 136 CYS N N 15 116.386 0.000 . . . . . . . . . . 5576 1 1329 . 1 1 136 136 CYS H H 1 7.699 0.001 . . . . . . . . . . 5576 1 1330 . 1 1 136 136 CYS CA C 13 59.413 0.000 . . . . . . . . . . 5576 1 1331 . 1 1 136 136 CYS HA H 1 4.865 0.000 . . . . . . . . . . 5576 1 1332 . 1 1 136 136 CYS CB C 13 30.862 0.000 . . . . . . . . . . 5576 1 1333 . 1 1 136 136 CYS HB2 H 1 2.870 0.000 . . . . . . . . . . 5576 1 1334 . 1 1 136 136 CYS HB3 H 1 2.986 0.000 . . . . . . . . . . 5576 1 1335 . 1 1 137 137 SER N N 15 113.783 0.000 . . . . . . . . . . 5576 1 1336 . 1 1 137 137 SER H H 1 8.981 0.001 . . . . . . . . . . 5576 1 1337 . 1 1 137 137 SER CA C 13 57.470 0.000 . . . . . . . . . . 5576 1 1338 . 1 1 137 137 SER HA H 1 4.854 0.000 . . . . . . . . . . 5576 1 1339 . 1 1 137 137 SER CB C 13 64.657 0.000 . . . . . . . . . . 5576 1 1340 . 1 1 137 137 SER HB2 H 1 3.807 0.000 . . . . . . . . . . 5576 1 1341 . 1 1 137 137 SER HB3 H 1 4.041 0.000 . . . . . . . . . . 5576 1 1342 . 1 1 138 138 SER N N 15 120.916 0.000 . . . . . . . . . . 5576 1 1343 . 1 1 138 138 SER H H 1 8.325 0.001 . . . . . . . . . . 5576 1 1344 . 1 1 138 138 SER CA C 13 56.936 0.000 . . . . . . . . . . 5576 1 1345 . 1 1 138 138 SER HA H 1 5.316 0.000 . . . . . . . . . . 5576 1 1346 . 1 1 138 138 SER CB C 13 67.076 0.000 . . . . . . . . . . 5576 1 1347 . 1 1 138 138 SER HB2 H 1 3.784 0.000 . . . . . . . . . . 5576 1 1348 . 1 1 138 138 SER HB3 H 1 3.837 0.000 . . . . . . . . . . 5576 1 1349 . 1 1 139 139 ILE N N 15 121.301 0.000 . . . . . . . . . . 5576 1 1350 . 1 1 139 139 ILE H H 1 9.723 0.001 . . . . . . . . . . 5576 1 1351 . 1 1 139 139 ILE CA C 13 58.636 0.000 . . . . . . . . . . 5576 1 1352 . 1 1 139 139 ILE HA H 1 5.588 0.000 . . . . . . . . . . 5576 1 1353 . 1 1 139 139 ILE CB C 13 41.933 0.000 . . . . . . . . . . 5576 1 1354 . 1 1 139 139 ILE HB H 1 1.762 0.000 . . . . . . . . . . 5576 1 1355 . 1 1 139 139 ILE HG21 H 1 0.891 0.000 . . . . . . . . . . 5576 1 1356 . 1 1 139 139 ILE HG22 H 1 0.891 0.000 . . . . . . . . . . 5576 1 1357 . 1 1 139 139 ILE HG23 H 1 0.891 0.000 . . . . . . . . . . 5576 1 1358 . 1 1 139 139 ILE CG2 C 13 15.519 0.000 . . . . . . . . . . 5576 1 1359 . 1 1 139 139 ILE CG1 C 13 28.338 0.000 . . . . . . . . . . 5576 1 1360 . 1 1 139 139 ILE HG12 H 1 0.993 0.000 . . . . . . . . . . 5576 1 1361 . 1 1 139 139 ILE HG13 H 1 1.968 0.000 . . . . . . . . . . 5576 1 1362 . 1 1 139 139 ILE HD11 H 1 0.992 0.000 . . . . . . . . . . 5576 1 1363 . 1 1 139 139 ILE HD12 H 1 0.992 0.000 . . . . . . . . . . 5576 1 1364 . 1 1 139 139 ILE HD13 H 1 0.992 0.000 . . . . . . . . . . 5576 1 1365 . 1 1 139 139 ILE CD1 C 13 14.936 0.000 . . . . . . . . . . 5576 1 1366 . 1 1 140 140 LEU N N 15 129.687 0.000 . . . . . . . . . . 5576 1 1367 . 1 1 140 140 LEU H H 1 8.161 0.000 . . . . . . . . . . 5576 1 1368 . 1 1 140 140 LEU CA C 13 53.586 0.000 . . . . . . . . . . 5576 1 1369 . 1 1 140 140 LEU HA H 1 4.407 0.000 . . . . . . . . . . 5576 1 1370 . 1 1 140 140 LEU CB C 13 44.264 0.000 . . . . . . . . . . 5576 1 1371 . 1 1 140 140 LEU HB2 H 1 1.021 0.000 . . . . . . . . . . 5576 1 1372 . 1 1 140 140 LEU HB3 H 1 1.866 0.000 . . . . . . . . . . 5576 1 1373 . 1 1 140 140 LEU CG C 13 26.978 0.000 . . . . . . . . . . 5576 1 1374 . 1 1 140 140 LEU HG H 1 1.281 0.000 . . . . . . . . . . 5576 1 1375 . 1 1 140 140 LEU HD11 H 1 0.671 0.000 . . . . . . . . . . 5576 1 1376 . 1 1 140 140 LEU HD12 H 1 0.671 0.000 . . . . . . . . . . 5576 1 1377 . 1 1 140 140 LEU HD13 H 1 0.671 0.000 . . . . . . . . . . 5576 1 1378 . 1 1 140 140 LEU HD21 H 1 0.775 0.000 . . . . . . . . . . 5576 1 1379 . 1 1 140 140 LEU HD22 H 1 0.775 0.000 . . . . . . . . . . 5576 1 1380 . 1 1 140 140 LEU HD23 H 1 0.775 0.000 . . . . . . . . . . 5576 1 1381 . 1 1 140 140 LEU CD1 C 13 23.482 0.000 . . . . . . . . . . 5576 1 1382 . 1 1 140 140 LEU CD2 C 13 27.172 0.000 . . . . . . . . . . 5576 1 1383 . 1 1 141 141 LEU N N 15 126.612 0.000 . . . . . . . . . . 5576 1 1384 . 1 1 141 141 LEU H H 1 8.667 0.000 . . . . . . . . . . 5576 1 1385 . 1 1 141 141 LEU HA H 1 4.785 0.000 . . . . . . . . . . 5576 1 1386 . 1 1 141 141 LEU CB C 13 44.932 0.000 . . . . . . . . . . 5576 1 1387 . 1 1 141 141 LEU HB2 H 1 1.293 0.000 . . . . . . . . . . 5576 1 1388 . 1 1 141 141 LEU HB3 H 1 1.595 0.000 . . . . . . . . . . 5576 1 1389 . 1 1 141 141 LEU CG C 13 26.590 0.000 . . . . . . . . . . 5576 1 1390 . 1 1 141 141 LEU HG H 1 1.405 0.000 . . . . . . . . . . 5576 1 1391 . 1 1 141 141 LEU HD11 H 1 0.825 0.000 . . . . . . . . . . 5576 1 1392 . 1 1 141 141 LEU HD12 H 1 0.825 0.000 . . . . . . . . . . 5576 1 1393 . 1 1 141 141 LEU HD13 H 1 0.825 0.000 . . . . . . . . . . 5576 1 1394 . 1 1 141 141 LEU HD21 H 1 0.788 0.000 . . . . . . . . . . 5576 1 1395 . 1 1 141 141 LEU HD22 H 1 0.788 0.000 . . . . . . . . . . 5576 1 1396 . 1 1 141 141 LEU HD23 H 1 0.788 0.000 . . . . . . . . . . 5576 1 1397 . 1 1 141 141 LEU CD1 C 13 25.813 0.000 . . . . . . . . . . 5576 1 1398 . 1 1 141 141 LEU CD2 C 13 24.541 0.000 . . . . . . . . . . 5576 1 1399 . 1 1 142 142 HIS N N 15 125.928 0.000 . . . . . . . . . . 5576 1 1400 . 1 1 142 142 HIS H H 1 9.664 0.000 . . . . . . . . . . 5576 1 1401 . 1 1 142 142 HIS CA C 13 56.888 0.000 . . . . . . . . . . 5576 1 1402 . 1 1 142 142 HIS HA H 1 4.268 0.000 . . . . . . . . . . 5576 1 1403 . 1 1 142 142 HIS CB C 13 27.949 0.000 . . . . . . . . . . 5576 1 1404 . 1 1 142 142 HIS HB2 H 1 3.147 0.000 . . . . . . . . . . 5576 1 1405 . 1 1 142 142 HIS HB3 H 1 3.176 0.000 . . . . . . . . . . 5576 1 1406 . 1 1 142 142 HIS CD2 C 13 119.553 0.000 . . . . . . . . . . 5576 1 1407 . 1 1 142 142 HIS CE1 C 13 138.430 0.000 . . . . . . . . . . 5576 1 1408 . 1 1 142 142 HIS HD2 H 1 6.861 0.000 . . . . . . . . . . 5576 1 1409 . 1 1 142 142 HIS HE1 H 1 7.760 0.005 . . . . . . . . . . 5576 1 1410 . 1 1 143 143 GLY N N 15 100.193 0.000 . . . . . . . . . . 5576 1 1411 . 1 1 143 143 GLY H H 1 7.489 0.000 . . . . . . . . . . 5576 1 1412 . 1 1 143 143 GLY CA C 13 46.206 0.000 . . . . . . . . . . 5576 1 1413 . 1 1 143 143 GLY HA2 H 1 3.203 0.000 . . . . . . . . . . 5576 1 1414 . 1 1 143 143 GLY HA3 H 1 4.171 0.000 . . . . . . . . . . 5576 1 1415 . 1 1 144 144 LYS N N 15 122.844 0.000 . . . . . . . . . . 5576 1 1416 . 1 1 144 144 LYS H H 1 7.991 0.000 . . . . . . . . . . 5576 1 1417 . 1 1 144 144 LYS CA C 13 54.651 0.000 . . . . . . . . . . 5576 1 1418 . 1 1 144 144 LYS HA H 1 4.686 0.000 . . . . . . . . . . 5576 1 1419 . 1 1 144 144 LYS CB C 13 35.162 0.000 . . . . . . . . . . 5576 1 1420 . 1 1 144 144 LYS HB2 H 1 1.792 0.000 . . . . . . . . . . 5576 1 1421 . 1 1 144 144 LYS HB3 H 1 1.873 0.000 . . . . . . . . . . 5576 1 1422 . 1 1 144 144 LYS CG C 13 24.710 0.000 . . . . . . . . . . 5576 1 1423 . 1 1 144 144 LYS HG2 H 1 1.410 0.000 . . . . . . . . . . 5576 1 1424 . 1 1 144 144 LYS HG3 H 1 1.468 0.000 . . . . . . . . . . 5576 1 1425 . 1 1 144 144 LYS CD C 13 28.920 0.000 . . . . . . . . . . 5576 1 1426 . 1 1 144 144 LYS HD2 H 1 1.725 0.000 . . . . . . . . . . 5576 1 1427 . 1 1 144 144 LYS CE C 13 42.390 0.000 . . . . . . . . . . 5576 1 1428 . 1 1 144 144 LYS HE2 H 1 3.044 0.000 . . . . . . . . . . 5576 1 1429 . 1 1 145 145 GLU N N 15 126.217 0.000 . . . . . . . . . . 5576 1 1430 . 1 1 145 145 GLU H H 1 8.844 0.001 . . . . . . . . . . 5576 1 1431 . 1 1 145 145 GLU CA C 13 57.082 0.000 . . . . . . . . . . 5576 1 1432 . 1 1 145 145 GLU HA H 1 4.635 0.000 . . . . . . . . . . 5576 1 1433 . 1 1 145 145 GLU CB C 13 30.687 0.000 . . . . . . . . . . 5576 1 1434 . 1 1 145 145 GLU HB2 H 1 1.910 0.000 . . . . . . . . . . 5576 1 1435 . 1 1 145 145 GLU CG C 13 37.660 0.000 . . . . . . . . . . 5576 1 1436 . 1 1 145 145 GLU HG2 H 1 2.313 0.000 . . . . . . . . . . 5576 1 1437 . 1 1 146 146 GLN N N 15 124.000 0.000 . . . . . . . . . . 5576 1 1438 . 1 1 146 146 GLN H H 1 9.178 0.000 . . . . . . . . . . 5576 1 1439 . 1 1 146 146 GLN CA C 13 52.615 0.000 . . . . . . . . . . 5576 1 1440 . 1 1 146 146 GLN HA H 1 5.109 0.000 . . . . . . . . . . 5576 1 1441 . 1 1 146 146 GLN CB C 13 30.474 0.000 . . . . . . . . . . 5576 1 1442 . 1 1 146 146 GLN HB2 H 1 1.858 0.000 . . . . . . . . . . 5576 1 1443 . 1 1 146 146 GLN HB3 H 1 2.187 0.000 . . . . . . . . . . 5576 1 1444 . 1 1 146 146 GLN CG C 13 32.805 0.000 . . . . . . . . . . 5576 1 1445 . 1 1 146 146 GLN HG2 H 1 2.298 0.000 . . . . . . . . . . 5576 1 1446 . 1 1 146 146 GLN HG3 H 1 2.348 0.000 . . . . . . . . . . 5576 1 1447 . 1 1 146 146 GLN NE2 N 15 112.723 0.000 . . . . . . . . . . 5576 1 1448 . 1 1 146 146 GLN HE21 H 1 6.937 0.000 . . . . . . . . . . 5576 1 1449 . 1 1 146 146 GLN HE22 H 1 7.670 0.000 . . . . . . . . . . 5576 1 1450 . 1 1 147 147 PRO CD C 13 50.679 0.000 . . . . . . . . . . 5576 1 1451 . 1 1 147 147 PRO CA C 13 63.297 0.000 . . . . . . . . . . 5576 1 1452 . 1 1 147 147 PRO HA H 1 4.459 0.000 . . . . . . . . . . 5576 1 1453 . 1 1 147 147 PRO CB C 13 32.028 0.000 . . . . . . . . . . 5576 1 1454 . 1 1 147 147 PRO HB2 H 1 1.864 0.000 . . . . . . . . . . 5576 1 1455 . 1 1 147 147 PRO HB3 H 1 2.407 0.000 . . . . . . . . . . 5576 1 1456 . 1 1 147 147 PRO CG C 13 28.046 0.000 . . . . . . . . . . 5576 1 1457 . 1 1 147 147 PRO HG2 H 1 2.011 0.000 . . . . . . . . . . 5576 1 1458 . 1 1 147 147 PRO HG3 H 1 2.187 0.000 . . . . . . . . . . 5576 1 1459 . 1 1 147 147 PRO HD2 H 1 3.681 0.000 . . . . . . . . . . 5576 1 1460 . 1 1 147 147 PRO HD3 H 1 3.880 0.000 . . . . . . . . . . 5576 1 1461 . 1 1 148 148 LEU N N 15 125.446 0.000 . . . . . . . . . . 5576 1 1462 . 1 1 148 148 LEU H H 1 7.817 0.000 . . . . . . . . . . 5576 1 1463 . 1 1 148 148 LEU CA C 13 54.946 0.000 . . . . . . . . . . 5576 1 1464 . 1 1 148 148 LEU HA H 1 4.188 0.000 . . . . . . . . . . 5576 1 1465 . 1 1 148 148 LEU CB C 13 41.567 0.000 . . . . . . . . . . 5576 1 1466 . 1 1 148 148 LEU HB2 H 1 0.964 0.000 . . . . . . . . . . 5576 1 1467 . 1 1 148 148 LEU HB3 H 1 1.515 0.000 . . . . . . . . . . 5576 1 1468 . 1 1 148 148 LEU CG C 13 27.561 0.000 . . . . . . . . . . 5576 1 1469 . 1 1 148 148 LEU HG H 1 1.324 0.000 . . . . . . . . . . 5576 1 1470 . 1 1 148 148 LEU HD11 H 1 0.641 0.000 . . . . . . . . . . 5576 1 1471 . 1 1 148 148 LEU HD12 H 1 0.641 0.000 . . . . . . . . . . 5576 1 1472 . 1 1 148 148 LEU HD13 H 1 0.641 0.000 . . . . . . . . . . 5576 1 1473 . 1 1 148 148 LEU HD21 H 1 0.663 0.000 . . . . . . . . . . 5576 1 1474 . 1 1 148 148 LEU HD22 H 1 0.663 0.000 . . . . . . . . . . 5576 1 1475 . 1 1 148 148 LEU HD23 H 1 0.663 0.000 . . . . . . . . . . 5576 1 1476 . 1 1 148 148 LEU CD1 C 13 24.662 0.000 . . . . . . . . . . 5576 1 1477 . 1 1 148 148 LEU CD2 C 13 25.424 0.000 . . . . . . . . . . 5576 1 1478 . 1 1 149 149 ASP N N 15 125.639 0.000 . . . . . . . . . . 5576 1 1479 . 1 1 149 149 ASP H H 1 7.181 0.001 . . . . . . . . . . 5576 1 1480 . 1 1 149 149 ASP HA H 1 4.740 0.000 . . . . . . . . . . 5576 1 1481 . 1 1 149 149 ASP CB C 13 42.525 0.000 . . . . . . . . . . 5576 1 1482 . 1 1 149 149 ASP HB2 H 1 2.627 0.000 . . . . . . . . . . 5576 1 1483 . 1 1 149 149 ASP HB3 H 1 3.162 0.000 . . . . . . . . . . 5576 1 1484 . 1 1 150 150 GLU N N 15 118.314 0.000 . . . . . . . . . . 5576 1 1485 . 1 1 150 150 GLU H H 1 8.563 0.001 . . . . . . . . . . 5576 1 1486 . 1 1 150 150 GLU CA C 13 60.189 0.000 . . . . . . . . . . 5576 1 1487 . 1 1 150 150 GLU HA H 1 3.858 0.000 . . . . . . . . . . 5576 1 1488 . 1 1 150 150 GLU CB C 13 29.309 0.000 . . . . . . . . . . 5576 1 1489 . 1 1 150 150 GLU HB2 H 1 2.011 0.000 . . . . . . . . . . 5576 1 1490 . 1 1 150 150 GLU HB3 H 1 2.063 0.000 . . . . . . . . . . 5576 1 1491 . 1 1 150 150 GLU CG C 13 36.689 0.000 . . . . . . . . . . 5576 1 1492 . 1 1 150 150 GLU HG2 H 1 2.355 0.000 . . . . . . . . . . 5576 1 1493 . 1 1 151 151 GLU N N 15 120.048 0.000 . . . . . . . . . . 5576 1 1494 . 1 1 151 151 GLU H H 1 8.163 0.000 . . . . . . . . . . 5576 1 1495 . 1 1 151 151 GLU CA C 13 59.788 0.000 . . . . . . . . . . 5576 1 1496 . 1 1 151 151 GLU HA H 1 4.114 0.000 . . . . . . . . . . 5576 1 1497 . 1 1 151 151 GLU CB C 13 29.114 0.000 . . . . . . . . . . 5576 1 1498 . 1 1 151 151 GLU HB2 H 1 2.070 0.000 . . . . . . . . . . 5576 1 1499 . 1 1 151 151 GLU HB3 H 1 2.158 0.000 . . . . . . . . . . 5576 1 1500 . 1 1 151 151 GLU CG C 13 36.689 0.000 . . . . . . . . . . 5576 1 1501 . 1 1 151 151 GLU HG2 H 1 2.230 0.000 . . . . . . . . . . 5576 1 1502 . 1 1 152 152 LEU N N 15 123.807 0.000 . . . . . . . . . . 5576 1 1503 . 1 1 152 152 LEU H H 1 8.483 0.000 . . . . . . . . . . 5576 1 1504 . 1 1 152 152 LEU CA C 13 56.888 0.000 . . . . . . . . . . 5576 1 1505 . 1 1 152 152 LEU HA H 1 4.378 0.000 . . . . . . . . . . 5576 1 1506 . 1 1 152 152 LEU CB C 13 42.127 0.000 . . . . . . . . . . 5576 1 1507 . 1 1 152 152 LEU HB2 H 1 1.431 0.000 . . . . . . . . . . 5576 1 1508 . 1 1 152 152 LEU HB3 H 1 1.974 0.000 . . . . . . . . . . 5576 1 1509 . 1 1 152 152 LEU CG C 13 28.232 0.000 . . . . . . . . . . 5576 1 1510 . 1 1 152 152 LEU HG H 1 1.975 0.000 . . . . . . . . . . 5576 1 1511 . 1 1 152 152 LEU HD11 H 1 1.053 0.000 . . . . . . . . . . 5576 1 1512 . 1 1 152 152 LEU HD12 H 1 1.053 0.000 . . . . . . . . . . 5576 1 1513 . 1 1 152 152 LEU HD13 H 1 1.053 0.000 . . . . . . . . . . 5576 1 1514 . 1 1 152 152 LEU HD21 H 1 0.935 0.000 . . . . . . . . . . 5576 1 1515 . 1 1 152 152 LEU HD22 H 1 0.935 0.000 . . . . . . . . . . 5576 1 1516 . 1 1 152 152 LEU HD23 H 1 0.935 0.000 . . . . . . . . . . 5576 1 1517 . 1 1 152 152 LEU CD1 C 13 26.007 0.000 . . . . . . . . . . 5576 1 1518 . 1 1 152 152 LEU CD2 C 13 22.511 0.000 . . . . . . . . . . 5576 1 1519 . 1 1 153 153 LYS N N 15 121.880 0.000 . . . . . . . . . . 5576 1 1520 . 1 1 153 153 LYS H H 1 8.474 0.001 . . . . . . . . . . 5576 1 1521 . 1 1 153 153 LYS CA C 13 61.161 0.000 . . . . . . . . . . 5576 1 1522 . 1 1 153 153 LYS HA H 1 3.800 0.000 . . . . . . . . . . 5576 1 1523 . 1 1 153 153 LYS CB C 13 31.833 0.000 . . . . . . . . . . 5576 1 1524 . 1 1 153 153 LYS HB2 H 1 1.843 0.000 . . . . . . . . . . 5576 1 1525 . 1 1 153 153 LYS CG C 13 27.240 0.000 . . . . . . . . . . 5576 1 1526 . 1 1 153 153 LYS HG2 H 1 1.000 0.000 . . . . . . . . . . 5576 1 1527 . 1 1 153 153 LYS CD C 13 29.530 0.008 . . . . . . . . . . 5576 1 1528 . 1 1 153 153 LYS HD2 H 1 1.517 0.000 . . . . . . . . . . 5576 1 1529 . 1 1 153 153 LYS HD3 H 1 1.542 0.000 . . . . . . . . . . 5576 1 1530 . 1 1 153 153 LYS CE C 13 41.933 0.000 . . . . . . . . . . 5576 1 1531 . 1 1 153 153 LYS HE2 H 1 2.715 0.000 . . . . . . . . . . 5576 1 1532 . 1 1 153 153 LYS HE3 H 1 2.744 0.000 . . . . . . . . . . 5576 1 1533 . 1 1 154 154 ASP N N 15 121.880 0.000 . . . . . . . . . . 5576 1 1534 . 1 1 154 154 ASP H H 1 8.219 0.001 . . . . . . . . . . 5576 1 1535 . 1 1 154 154 ASP CA C 13 57.565 0.000 . . . . . . . . . . 5576 1 1536 . 1 1 154 154 ASP HA H 1 4.415 0.000 . . . . . . . . . . 5576 1 1537 . 1 1 154 154 ASP CB C 13 40.573 0.000 . . . . . . . . . . 5576 1 1538 . 1 1 154 154 ASP HB2 H 1 2.641 0.000 . . . . . . . . . . 5576 1 1539 . 1 1 154 154 ASP HB3 H 1 2.826 0.000 . . . . . . . . . . 5576 1 1540 . 1 1 155 155 ALA N N 15 124.289 0.000 . . . . . . . . . . 5576 1 1541 . 1 1 155 155 ALA H H 1 8.000 0.001 . . . . . . . . . . 5576 1 1542 . 1 1 155 155 ALA CA C 13 55.320 0.000 . . . . . . . . . . 5576 1 1543 . 1 1 155 155 ALA HA H 1 4.152 0.000 . . . . . . . . . . 5576 1 1544 . 1 1 155 155 ALA HB1 H 1 1.887 0.000 . . . . . . . . . . 5576 1 1545 . 1 1 155 155 ALA HB2 H 1 1.887 0.000 . . . . . . . . . . 5576 1 1546 . 1 1 155 155 ALA HB3 H 1 1.887 0.000 . . . . . . . . . . 5576 1 1547 . 1 1 155 155 ALA CB C 13 18.238 0.000 . . . . . . . . . . 5576 1 1548 . 1 1 156 156 PHE N N 15 122.265 0.000 . . . . . . . . . . 5576 1 1549 . 1 1 156 156 PHE H H 1 8.388 0.000 . . . . . . . . . . 5576 1 1550 . 1 1 156 156 PHE CA C 13 59.995 0.000 . . . . . . . . . . 5576 1 1551 . 1 1 156 156 PHE HA H 1 2.571 0.000 . . . . . . . . . . 5576 1 1552 . 1 1 156 156 PHE CB C 13 37.660 0.000 . . . . . . . . . . 5576 1 1553 . 1 1 156 156 PHE HB2 H 1 2.682 0.000 . . . . . . . . . . 5576 1 1554 . 1 1 156 156 PHE HB3 H 1 3.357 0.000 . . . . . . . . . . 5576 1 1555 . 1 1 156 156 PHE HD1 H 1 6.788 0.000 . . . . . . . . . . 5576 1 1556 . 1 1 156 156 PHE HE1 H 1 6.890 0.000 . . . . . . . . . . 5576 1 1557 . 1 1 156 156 PHE CD1 C 13 132.137 0.000 . . . . . . . . . . 5576 1 1558 . 1 1 156 156 PHE CE1 C 13 130.739 0.000 . . . . . . . . . . 5576 1 1559 . 1 1 156 156 PHE CZ C 13 128.875 0.000 . . . . . . . . . . 5576 1 1560 . 1 1 156 156 PHE HZ H 1 6.558 0.001 . . . . . . . . . . 5576 1 1561 . 1 1 157 157 GLN N N 15 121.880 0.000 . . . . . . . . . . 5576 1 1562 . 1 1 157 157 GLN H H 1 8.200 0.000 . . . . . . . . . . 5576 1 1563 . 1 1 157 157 GLN CA C 13 58.636 0.000 . . . . . . . . . . 5576 1 1564 . 1 1 157 157 GLN HA H 1 3.709 0.000 . . . . . . . . . . 5576 1 1565 . 1 1 157 157 GLN CB C 13 27.949 0.000 . . . . . . . . . . 5576 1 1566 . 1 1 157 157 GLN HB2 H 1 2.144 0.000 . . . . . . . . . . 5576 1 1567 . 1 1 157 157 GLN HB3 H 1 2.254 0.000 . . . . . . . . . . 5576 1 1568 . 1 1 157 157 GLN CG C 13 33.290 0.000 . . . . . . . . . . 5576 1 1569 . 1 1 157 157 GLN HG2 H 1 2.437 0.000 . . . . . . . . . . 5576 1 1570 . 1 1 157 157 GLN HG3 H 1 2.539 0.000 . . . . . . . . . . 5576 1 1571 . 1 1 157 157 GLN NE2 N 15 110.410 0.000 . . . . . . . . . . 5576 1 1572 . 1 1 157 157 GLN HE21 H 1 6.922 0.000 . . . . . . . . . . 5576 1 1573 . 1 1 157 157 GLN HE22 H 1 7.198 0.000 . . . . . . . . . . 5576 1 1574 . 1 1 158 158 ASN N N 15 117.350 0.000 . . . . . . . . . . 5576 1 1575 . 1 1 158 158 ASN H H 1 8.220 0.000 . . . . . . . . . . 5576 1 1576 . 1 1 158 158 ASN CA C 13 56.111 0.000 . . . . . . . . . . 5576 1 1577 . 1 1 158 158 ASN HA H 1 4.259 0.000 . . . . . . . . . . 5576 1 1578 . 1 1 158 158 ASN CB C 13 38.049 0.000 . . . . . . . . . . 5576 1 1579 . 1 1 158 158 ASN HB2 H 1 2.642 0.000 . . . . . . . . . . 5576 1 1580 . 1 1 158 158 ASN ND2 N 15 113.783 0.000 . . . . . . . . . . 5576 1 1581 . 1 1 158 158 ASN HD21 H 1 6.835 0.000 . . . . . . . . . . 5576 1 1582 . 1 1 158 158 ASN HD22 H 1 7.456 0.000 . . . . . . . . . . 5576 1 1583 . 1 1 159 159 ALA N N 15 124.289 0.000 . . . . . . . . . . 5576 1 1584 . 1 1 159 159 ALA H H 1 7.525 0.000 . . . . . . . . . . 5576 1 1585 . 1 1 159 159 ALA CA C 13 54.946 0.000 . . . . . . . . . . 5576 1 1586 . 1 1 159 159 ALA HA H 1 3.726 0.000 . . . . . . . . . . 5576 1 1587 . 1 1 159 159 ALA HB1 H 1 0.116 0.000 . . . . . . . . . . 5576 1 1588 . 1 1 159 159 ALA HB2 H 1 0.116 0.000 . . . . . . . . . . 5576 1 1589 . 1 1 159 159 ALA HB3 H 1 0.116 0.000 . . . . . . . . . . 5576 1 1590 . 1 1 159 159 ALA CB C 13 16.172 0.000 . . . . . . . . . . 5576 1 1591 . 1 1 160 160 TYR N N 15 118.603 0.000 . . . . . . . . . . 5576 1 1592 . 1 1 160 160 TYR H H 1 8.180 0.001 . . . . . . . . . . 5576 1 1593 . 1 1 160 160 TYR CA C 13 58.830 0.000 . . . . . . . . . . 5576 1 1594 . 1 1 160 160 TYR HA H 1 3.960 0.000 . . . . . . . . . . 5576 1 1595 . 1 1 160 160 TYR CB C 13 37.466 0.000 . . . . . . . . . . 5576 1 1596 . 1 1 160 160 TYR HB2 H 1 2.304 0.000 . . . . . . . . . . 5576 1 1597 . 1 1 160 160 TYR HB3 H 1 2.700 0.000 . . . . . . . . . . 5576 1 1598 . 1 1 160 160 TYR HD1 H 1 6.934 0.000 . . . . . . . . . . 5576 1 1599 . 1 1 160 160 TYR HE1 H 1 6.853 0.000 . . . . . . . . . . 5576 1 1600 . 1 1 160 160 TYR CD1 C 13 131.904 0.000 . . . . . . . . . . 5576 1 1601 . 1 1 160 160 TYR CE1 C 13 118.155 0.000 . . . . . . . . . . 5576 1 1602 . 1 1 161 161 LEU N N 15 120.530 0.000 . . . . . . . . . . 5576 1 1603 . 1 1 161 161 LEU H H 1 8.238 0.000 . . . . . . . . . . 5576 1 1604 . 1 1 161 161 LEU CA C 13 57.470 0.000 . . . . . . . . . . 5576 1 1605 . 1 1 161 161 LEU HA H 1 3.732 0.000 . . . . . . . . . . 5576 1 1606 . 1 1 161 161 LEU CB C 13 41.544 0.000 . . . . . . . . . . 5576 1 1607 . 1 1 161 161 LEU HB2 H 1 1.338 0.000 . . . . . . . . . . 5576 1 1608 . 1 1 161 161 LEU HB3 H 1 1.711 0.000 . . . . . . . . . . 5576 1 1609 . 1 1 161 161 LEU CG C 13 26.784 0.000 . . . . . . . . . . 5576 1 1610 . 1 1 161 161 LEU HG H 1 1.638 0.000 . . . . . . . . . . 5576 1 1611 . 1 1 161 161 LEU HD11 H 1 0.780 0.000 . . . . . . . . . . 5576 1 1612 . 1 1 161 161 LEU HD12 H 1 0.780 0.000 . . . . . . . . . . 5576 1 1613 . 1 1 161 161 LEU HD13 H 1 0.780 0.000 . . . . . . . . . . 5576 1 1614 . 1 1 161 161 LEU HD21 H 1 0.678 0.000 . . . . . . . . . . 5576 1 1615 . 1 1 161 161 LEU HD22 H 1 0.678 0.000 . . . . . . . . . . 5576 1 1616 . 1 1 161 161 LEU HD23 H 1 0.678 0.000 . . . . . . . . . . 5576 1 1617 . 1 1 161 161 LEU CD1 C 13 25.089 0.000 . . . . . . . . . . 5576 1 1618 . 1 1 161 161 LEU CD2 C 13 22.981 0.000 . . . . . . . . . . 5576 1 1619 . 1 1 162 162 GLU N N 15 122.940 0.000 . . . . . . . . . . 5576 1 1620 . 1 1 162 162 GLU H H 1 7.981 0.000 . . . . . . . . . . 5576 1 1621 . 1 1 162 162 GLU CA C 13 59.487 0.000 . . . . . . . . . . 5576 1 1622 . 1 1 162 162 GLU HA H 1 3.850 0.000 . . . . . . . . . . 5576 1 1623 . 1 1 162 162 GLU CB C 13 29.114 0.000 . . . . . . . . . . 5576 1 1624 . 1 1 162 162 GLU HB2 H 1 1.814 0.000 . . . . . . . . . . 5576 1 1625 . 1 1 162 162 GLU HB3 H 1 2.026 0.000 . . . . . . . . . . 5576 1 1626 . 1 1 162 162 GLU CG C 13 35.607 0.000 . . . . . . . . . . 5576 1 1627 . 1 1 162 162 GLU HG2 H 1 1.908 0.000 . . . . . . . . . . 5576 1 1628 . 1 1 162 162 GLU HG3 H 1 2.033 0.000 . . . . . . . . . . 5576 1 1629 . 1 1 163 163 LEU N N 15 118.314 0.000 . . . . . . . . . . 5576 1 1630 . 1 1 163 163 LEU H H 1 8.126 0.000 . . . . . . . . . . 5576 1 1631 . 1 1 163 163 LEU CA C 13 57.665 0.000 . . . . . . . . . . 5576 1 1632 . 1 1 163 163 LEU HA H 1 3.836 0.000 . . . . . . . . . . 5576 1 1633 . 1 1 163 163 LEU CB C 13 41.350 0.000 . . . . . . . . . . 5576 1 1634 . 1 1 163 163 LEU HB2 H 1 1.255 0.000 . . . . . . . . . . 5576 1 1635 . 1 1 163 163 LEU HB3 H 1 1.711 0.000 . . . . . . . . . . 5576 1 1636 . 1 1 163 163 LEU CG C 13 26.395 0.000 . . . . . . . . . . 5576 1 1637 . 1 1 163 163 LEU HG H 1 1.880 0.000 . . . . . . . . . . 5576 1 1638 . 1 1 163 163 LEU HD11 H 1 0.712 0.000 . . . . . . . . . . 5576 1 1639 . 1 1 163 163 LEU HD12 H 1 0.712 0.000 . . . . . . . . . . 5576 1 1640 . 1 1 163 163 LEU HD13 H 1 0.712 0.000 . . . . . . . . . . 5576 1 1641 . 1 1 163 163 LEU HD21 H 1 0.459 0.000 . . . . . . . . . . 5576 1 1642 . 1 1 163 163 LEU HD22 H 1 0.459 0.000 . . . . . . . . . . 5576 1 1643 . 1 1 163 163 LEU HD23 H 1 0.459 0.000 . . . . . . . . . . 5576 1 1644 . 1 1 163 163 LEU CD1 C 13 24.259 0.000 . . . . . . . . . . 5576 1 1645 . 1 1 163 163 LEU CD2 C 13 21.928 0.000 . . . . . . . . . . 5576 1 1646 . 1 1 164 164 GLY N N 15 106.844 0.000 . . . . . . . . . . 5576 1 1647 . 1 1 164 164 GLY H H 1 8.425 0.000 . . . . . . . . . . 5576 1 1648 . 1 1 165 165 GLY N N 15 112.530 0.000 . . . . . . . . . . 5576 1 1649 . 1 1 165 165 GLY H H 1 8.154 0.000 . . . . . . . . . . 5576 1 1650 . 1 1 165 165 GLY CA C 13 46.458 0.000 . . . . . . . . . . 5576 1 1651 . 1 1 165 165 GLY HA2 H 1 3.829 0.000 . . . . . . . . . . 5576 1 1652 . 1 1 165 165 GLY HA3 H 1 4.150 0.000 . . . . . . . . . . 5576 1 1653 . 1 1 166 166 LEU N N 15 120.627 0.000 . . . . . . . . . . 5576 1 1654 . 1 1 166 166 LEU H H 1 7.267 0.000 . . . . . . . . . . 5576 1 1655 . 1 1 166 166 LEU CA C 13 55.157 0.000 . . . . . . . . . . 5576 1 1656 . 1 1 166 166 LEU HA H 1 4.323 0.000 . . . . . . . . . . 5576 1 1657 . 1 1 166 166 LEU CB C 13 42.321 0.000 . . . . . . . . . . 5576 1 1658 . 1 1 166 166 LEU HB2 H 1 1.660 0.000 . . . . . . . . . . 5576 1 1659 . 1 1 166 166 LEU HB3 H 1 1.923 0.000 . . . . . . . . . . 5576 1 1660 . 1 1 166 166 LEU CG C 13 26.007 0.000 . . . . . . . . . . 5576 1 1661 . 1 1 166 166 LEU HG H 1 1.829 0.000 . . . . . . . . . . 5576 1 1662 . 1 1 166 166 LEU HD11 H 1 0.589 0.000 . . . . . . . . . . 5576 1 1663 . 1 1 166 166 LEU HD12 H 1 0.589 0.000 . . . . . . . . . . 5576 1 1664 . 1 1 166 166 LEU HD13 H 1 0.589 0.000 . . . . . . . . . . 5576 1 1665 . 1 1 166 166 LEU HD21 H 1 0.795 0.000 . . . . . . . . . . 5576 1 1666 . 1 1 166 166 LEU HD22 H 1 0.795 0.000 . . . . . . . . . . 5576 1 1667 . 1 1 166 166 LEU HD23 H 1 0.795 0.000 . . . . . . . . . . 5576 1 1668 . 1 1 166 166 LEU CD1 C 13 25.326 0.000 . . . . . . . . . . 5576 1 1669 . 1 1 166 166 LEU CD2 C 13 21.928 0.000 . . . . . . . . . . 5576 1 1670 . 1 1 167 167 GLY N N 15 107.808 0.000 . . . . . . . . . . 5576 1 1671 . 1 1 167 167 GLY H H 1 8.125 0.000 . . . . . . . . . . 5576 1 1672 . 1 1 167 167 GLY CA C 13 45.040 0.000 . . . . . . . . . . 5576 1 1673 . 1 1 167 167 GLY HA2 H 1 3.777 0.000 . . . . . . . . . . 5576 1 1674 . 1 1 167 167 GLY HA3 H 1 4.215 0.000 . . . . . . . . . . 5576 1 1675 . 1 1 169 169 ARG CA C 13 54.946 0.000 . . . . . . . . . . 5576 1 1676 . 1 1 169 169 ARG HA H 1 4.541 0.000 . . . . . . . . . . 5576 1 1677 . 1 1 169 169 ARG CB C 13 30.862 0.000 . . . . . . . . . . 5576 1 1678 . 1 1 169 169 ARG HB2 H 1 1.775 0.004 . . . . . . . . . . 5576 1 1679 . 1 1 169 169 ARG CG C 13 27.172 0.000 . . . . . . . . . . 5576 1 1680 . 1 1 169 169 ARG HG2 H 1 1.527 0.000 . . . . . . . . . . 5576 1 1681 . 1 1 169 169 ARG HG3 H 1 1.689 0.000 . . . . . . . . . . 5576 1 1682 . 1 1 169 169 ARG CD C 13 43.098 0.000 . . . . . . . . . . 5576 1 1683 . 1 1 169 169 ARG HD2 H 1 3.066 0.000 . . . . . . . . . . 5576 1 1684 . 1 1 169 169 ARG HD3 H 1 3.147 0.000 . . . . . . . . . . 5576 1 1685 . 1 1 170 170 VAL N N 15 125.831 0.000 . . . . . . . . . . 5576 1 1686 . 1 1 170 170 VAL H H 1 8.982 0.000 . . . . . . . . . . 5576 1 1687 . 1 1 170 170 VAL CA C 13 62.371 0.000 . . . . . . . . . . 5576 1 1688 . 1 1 170 170 VAL HA H 1 4.480 0.000 . . . . . . . . . . 5576 1 1689 . 1 1 170 170 VAL CB C 13 33.776 0.000 . . . . . . . . . . 5576 1 1690 . 1 1 170 170 VAL HB H 1 2.174 0.000 . . . . . . . . . . 5576 1 1691 . 1 1 170 170 VAL HG11 H 1 1.012 0.006 . . . . . . . . . . 5576 1 1692 . 1 1 170 170 VAL HG12 H 1 1.012 0.006 . . . . . . . . . . 5576 1 1693 . 1 1 170 170 VAL HG13 H 1 1.012 0.006 . . . . . . . . . . 5576 1 1694 . 1 1 170 170 VAL HG21 H 1 1.002 0.005 . . . . . . . . . . 5576 1 1695 . 1 1 170 170 VAL HG22 H 1 1.002 0.005 . . . . . . . . . . 5576 1 1696 . 1 1 170 170 VAL HG23 H 1 1.002 0.005 . . . . . . . . . . 5576 1 1697 . 1 1 170 170 VAL CG1 C 13 25.230 0.000 . . . . . . . . . . 5576 1 1698 . 1 1 170 170 VAL CG2 C 13 21.734 0.000 . . . . . . . . . . 5576 1 1699 . 1 1 171 171 LEU N N 15 126.410 0.000 . . . . . . . . . . 5576 1 1700 . 1 1 171 171 LEU H H 1 8.916 0.000 . . . . . . . . . . 5576 1 1701 . 1 1 171 171 LEU HA H 1 4.840 0.000 . . . . . . . . . . 5576 1 1702 . 1 1 171 171 LEU CB C 13 47.371 0.000 . . . . . . . . . . 5576 1 1703 . 1 1 171 171 LEU HB2 H 1 1.102 0.000 . . . . . . . . . . 5576 1 1704 . 1 1 171 171 LEU HB3 H 1 1.683 0.000 . . . . . . . . . . 5576 1 1705 . 1 1 171 171 LEU CG C 13 28.143 0.000 . . . . . . . . . . 5576 1 1706 . 1 1 171 171 LEU HG H 1 1.439 0.000 . . . . . . . . . . 5576 1 1707 . 1 1 171 171 LEU HD11 H 1 0.502 0.000 . . . . . . . . . . 5576 1 1708 . 1 1 171 171 LEU HD12 H 1 0.502 0.000 . . . . . . . . . . 5576 1 1709 . 1 1 171 171 LEU HD13 H 1 0.502 0.000 . . . . . . . . . . 5576 1 1710 . 1 1 171 171 LEU HD21 H 1 0.333 0.000 . . . . . . . . . . 5576 1 1711 . 1 1 171 171 LEU HD22 H 1 0.333 0.000 . . . . . . . . . . 5576 1 1712 . 1 1 171 171 LEU HD23 H 1 0.333 0.000 . . . . . . . . . . 5576 1 1713 . 1 1 171 171 LEU CD1 C 13 25.618 0.000 . . . . . . . . . . 5576 1 1714 . 1 1 171 171 LEU CD2 C 13 24.259 0.000 . . . . . . . . . . 5576 1 1715 . 1 1 172 172 GLY N N 15 105.880 0.000 . . . . . . . . . . 5576 1 1716 . 1 1 172 172 GLY H H 1 9.143 0.000 . . . . . . . . . . 5576 1 1717 . 1 1 172 172 GLY CA C 13 44.264 0.000 . . . . . . . . . . 5576 1 1718 . 1 1 172 172 GLY HA2 H 1 3.264 0.000 . . . . . . . . . . 5576 1 1719 . 1 1 172 172 GLY HA3 H 1 5.469 0.000 . . . . . . . . . . 5576 1 1720 . 1 1 173 173 PHE N N 15 117.832 0.000 . . . . . . . . . . 5576 1 1721 . 1 1 173 173 PHE H H 1 8.242 0.000 . . . . . . . . . . 5576 1 1722 . 1 1 173 173 PHE CA C 13 57.634 0.000 . . . . . . . . . . 5576 1 1723 . 1 1 173 173 PHE HA H 1 5.104 0.000 . . . . . . . . . . 5576 1 1724 . 1 1 173 173 PHE CB C 13 41.739 0.000 . . . . . . . . . . 5576 1 1725 . 1 1 173 173 PHE HB2 H 1 2.617 0.000 . . . . . . . . . . 5576 1 1726 . 1 1 173 173 PHE HB3 H 1 2.732 0.000 . . . . . . . . . . 5576 1 1727 . 1 1 173 173 PHE HD1 H 1 7.242 0.000 . . . . . . . . . . 5576 1 1728 . 1 1 173 173 PHE HE1 H 1 7.117 0.000 . . . . . . . . . . 5576 1 1729 . 1 1 173 173 PHE CD1 C 13 131.904 0.000 . . . . . . . . . . 5576 1 1730 . 1 1 173 173 PHE CE1 C 13 131.438 0.000 . . . . . . . . . . 5576 1 1731 . 1 1 173 173 PHE CZ C 13 128.176 0.000 . . . . . . . . . . 5576 1 1732 . 1 1 173 173 PHE HZ H 1 6.956 0.000 . . . . . . . . . . 5576 1 1733 . 1 1 174 174 CYS N N 15 121.012 0.000 . . . . . . . . . . 5576 1 1734 . 1 1 174 174 CYS H H 1 9.648 0.000 . . . . . . . . . . 5576 1 1735 . 1 1 174 174 CYS CA C 13 55.917 0.000 . . . . . . . . . . 5576 1 1736 . 1 1 174 174 CYS HA H 1 5.011 0.000 . . . . . . . . . . 5576 1 1737 . 1 1 174 174 CYS CB C 13 34.046 0.000 . . . . . . . . . . 5576 1 1738 . 1 1 174 174 CYS HB2 H 1 2.426 0.005 . . . . . . . . . . 5576 1 1739 . 1 1 174 174 CYS HB3 H 1 3.060 0.000 . . . . . . . . . . 5576 1 1740 . 1 1 175 175 HIS N N 15 115.904 0.000 . . . . . . . . . . 5576 1 1741 . 1 1 175 175 HIS H H 1 8.989 0.001 . . . . . . . . . . 5576 1 1742 . 1 1 175 175 HIS CA C 13 53.003 0.000 . . . . . . . . . . 5576 1 1743 . 1 1 175 175 HIS HA H 1 5.406 0.000 . . . . . . . . . . 5576 1 1744 . 1 1 175 175 HIS CB C 13 35.912 0.000 . . . . . . . . . . 5576 1 1745 . 1 1 175 175 HIS HB2 H 1 3.011 0.000 . . . . . . . . . . 5576 1 1746 . 1 1 175 175 HIS HB3 H 1 3.602 0.000 . . . . . . . . . . 5576 1 1747 . 1 1 175 175 HIS CD2 C 13 113.727 0.000 . . . . . . . . . . 5576 1 1748 . 1 1 175 175 HIS HD1 H 1 11.745 0.000 . . . . . . . . . . 5576 1 1749 . 1 1 175 175 HIS CE1 C 13 137.265 0.000 . . . . . . . . . . 5576 1 1750 . 1 1 175 175 HIS HD2 H 1 6.751 0.001 . . . . . . . . . . 5576 1 1751 . 1 1 175 175 HIS HE1 H 1 7.462 0.000 . . . . . . . . . . 5576 1 1752 . 1 1 176 176 LEU N N 15 118.506 0.000 . . . . . . . . . . 5576 1 1753 . 1 1 176 176 LEU H H 1 9.055 0.000 . . . . . . . . . . 5576 1 1754 . 1 1 176 176 LEU CA C 13 56.111 0.000 . . . . . . . . . . 5576 1 1755 . 1 1 176 176 LEU HA H 1 4.518 0.000 . . . . . . . . . . 5576 1 1756 . 1 1 176 176 LEU CB C 13 47.253 0.000 . . . . . . . . . . 5576 1 1757 . 1 1 176 176 LEU HB2 H 1 1.609 0.000 . . . . . . . . . . 5576 1 1758 . 1 1 176 176 LEU HB3 H 1 1.688 0.000 . . . . . . . . . . 5576 1 1759 . 1 1 176 176 LEU CG C 13 27.366 0.000 . . . . . . . . . . 5576 1 1760 . 1 1 176 176 LEU HG H 1 1.269 0.000 . . . . . . . . . . 5576 1 1761 . 1 1 176 176 LEU HD11 H 1 1.110 0.000 . . . . . . . . . . 5576 1 1762 . 1 1 176 176 LEU HD12 H 1 1.110 0.000 . . . . . . . . . . 5576 1 1763 . 1 1 176 176 LEU HD13 H 1 1.110 0.000 . . . . . . . . . . 5576 1 1764 . 1 1 176 176 LEU HD21 H 1 0.869 0.000 . . . . . . . . . . 5576 1 1765 . 1 1 176 176 LEU HD22 H 1 0.869 0.000 . . . . . . . . . . 5576 1 1766 . 1 1 176 176 LEU HD23 H 1 0.869 0.000 . . . . . . . . . . 5576 1 1767 . 1 1 176 176 LEU CD1 C 13 23.288 0.000 . . . . . . . . . . 5576 1 1768 . 1 1 176 176 LEU CD2 C 13 26.590 0.000 . . . . . . . . . . 5576 1 1769 . 1 1 177 177 LEU N N 15 130.940 0.000 . . . . . . . . . . 5576 1 1770 . 1 1 177 177 LEU H H 1 8.730 0.000 . . . . . . . . . . 5576 1 1771 . 1 1 177 177 LEU CA C 13 53.780 0.000 . . . . . . . . . . 5576 1 1772 . 1 1 177 177 LEU HA H 1 4.407 0.000 . . . . . . . . . . 5576 1 1773 . 1 1 177 177 LEU CB C 13 38.825 0.000 . . . . . . . . . . 5576 1 1774 . 1 1 177 177 LEU HB2 H 1 1.147 0.000 . . . . . . . . . . 5576 1 1775 . 1 1 177 177 LEU HB3 H 1 1.785 0.000 . . . . . . . . . . 5576 1 1776 . 1 1 177 177 LEU CG C 13 27.561 0.000 . . . . . . . . . . 5576 1 1777 . 1 1 177 177 LEU HG H 1 1.419 0.000 . . . . . . . . . . 5576 1 1778 . 1 1 177 177 LEU HD11 H 1 0.641 0.000 . . . . . . . . . . 5576 1 1779 . 1 1 177 177 LEU HD12 H 1 0.641 0.000 . . . . . . . . . . 5576 1 1780 . 1 1 177 177 LEU HD13 H 1 0.641 0.000 . . . . . . . . . . 5576 1 1781 . 1 1 177 177 LEU HD21 H 1 0.590 0.000 . . . . . . . . . . 5576 1 1782 . 1 1 177 177 LEU HD22 H 1 0.590 0.000 . . . . . . . . . . 5576 1 1783 . 1 1 177 177 LEU HD23 H 1 0.590 0.000 . . . . . . . . . . 5576 1 1784 . 1 1 177 177 LEU CD1 C 13 24.647 0.000 . . . . . . . . . . 5576 1 1785 . 1 1 177 177 LEU CD2 C 13 24.065 0.000 . . . . . . . . . . 5576 1 1786 . 1 1 178 178 LEU N N 15 128.337 0.000 . . . . . . . . . . 5576 1 1787 . 1 1 178 178 LEU H H 1 7.583 0.000 . . . . . . . . . . 5576 1 1788 . 1 1 178 178 LEU CA C 13 53.677 0.000 . . . . . . . . . . 5576 1 1789 . 1 1 178 178 LEU HA H 1 4.122 0.000 . . . . . . . . . . 5576 1 1790 . 1 1 178 178 LEU CB C 13 39.991 0.000 . . . . . . . . . . 5576 1 1791 . 1 1 178 178 LEU HB2 H 1 1.197 0.000 . . . . . . . . . . 5576 1 1792 . 1 1 178 178 LEU HB3 H 1 1.637 0.000 . . . . . . . . . . 5576 1 1793 . 1 1 178 178 LEU CG C 13 27.366 0.000 . . . . . . . . . . 5576 1 1794 . 1 1 178 178 LEU HG H 1 1.322 0.000 . . . . . . . . . . 5576 1 1795 . 1 1 178 178 LEU HD11 H 1 0.268 0.000 . . . . . . . . . . 5576 1 1796 . 1 1 178 178 LEU HD12 H 1 0.268 0.000 . . . . . . . . . . 5576 1 1797 . 1 1 178 178 LEU HD13 H 1 0.268 0.000 . . . . . . . . . . 5576 1 1798 . 1 1 178 178 LEU HD21 H 1 0.308 0.000 . . . . . . . . . . 5576 1 1799 . 1 1 178 178 LEU HD22 H 1 0.308 0.000 . . . . . . . . . . 5576 1 1800 . 1 1 178 178 LEU HD23 H 1 0.308 0.000 . . . . . . . . . . 5576 1 1801 . 1 1 178 178 LEU CD1 C 13 26.269 0.000 . . . . . . . . . . 5576 1 1802 . 1 1 178 178 LEU CD2 C 13 24.453 0.000 . . . . . . . . . . 5576 1 1803 . 1 1 179 179 PRO CD C 13 50.284 0.000 . . . . . . . . . . 5576 1 1804 . 1 1 179 179 PRO CA C 13 63.522 0.000 . . . . . . . . . . 5576 1 1805 . 1 1 179 179 PRO HA H 1 4.422 0.000 . . . . . . . . . . 5576 1 1806 . 1 1 179 179 PRO CB C 13 32.222 0.000 . . . . . . . . . . 5576 1 1807 . 1 1 179 179 PRO HB2 H 1 2.049 0.000 . . . . . . . . . . 5576 1 1808 . 1 1 179 179 PRO HB3 H 1 2.481 0.000 . . . . . . . . . . 5576 1 1809 . 1 1 179 179 PRO CG C 13 28.532 0.000 . . . . . . . . . . 5576 1 1810 . 1 1 179 179 PRO HG2 H 1 2.203 0.000 . . . . . . . . . . 5576 1 1811 . 1 1 179 179 PRO HG3 H 1 2.341 0.000 . . . . . . . . . . 5576 1 1812 . 1 1 179 179 PRO HD2 H 1 3.705 0.000 . . . . . . . . . . 5576 1 1813 . 1 1 179 179 PRO HD3 H 1 4.143 0.000 . . . . . . . . . . 5576 1 1814 . 1 1 180 180 ASP N N 15 127.084 0.000 . . . . . . . . . . 5576 1 1815 . 1 1 180 180 ASP H H 1 8.876 0.000 . . . . . . . . . . 5576 1 1816 . 1 1 180 180 ASP CA C 13 57.564 0.000 . . . . . . . . . . 5576 1 1817 . 1 1 180 180 ASP HA H 1 4.473 0.000 . . . . . . . . . . 5576 1 1818 . 1 1 180 180 ASP CB C 13 40.962 0.000 . . . . . . . . . . 5576 1 1819 . 1 1 180 180 ASP HB2 H 1 2.503 0.000 . . . . . . . . . . 5576 1 1820 . 1 1 180 180 ASP HB3 H 1 2.706 0.000 . . . . . . . . . . 5576 1 1821 . 1 1 181 181 GLU N N 15 116.964 0.000 . . . . . . . . . . 5576 1 1822 . 1 1 181 181 GLU H H 1 9.099 0.000 . . . . . . . . . . 5576 1 1823 . 1 1 181 181 GLU CA C 13 59.218 0.000 . . . . . . . . . . 5576 1 1824 . 1 1 181 181 GLU HA H 1 3.901 0.000 . . . . . . . . . . 5576 1 1825 . 1 1 181 181 GLU CB C 13 29.114 0.000 . . . . . . . . . . 5576 1 1826 . 1 1 181 181 GLU HB2 H 1 1.901 0.000 . . . . . . . . . . 5576 1 1827 . 1 1 181 181 GLU HB3 H 1 1.996 0.000 . . . . . . . . . . 5576 1 1828 . 1 1 181 181 GLU CG C 13 36.724 0.000 . . . . . . . . . . 5576 1 1829 . 1 1 181 181 GLU HG2 H 1 2.276 0.000 . . . . . . . . . . 5576 1 1830 . 1 1 182 182 GLN N N 15 115.036 0.000 . . . . . . . . . . 5576 1 1831 . 1 1 182 182 GLN H H 1 6.688 0.000 . . . . . . . . . . 5576 1 1832 . 1 1 182 182 GLN CA C 13 56.305 0.000 . . . . . . . . . . 5576 1 1833 . 1 1 182 182 GLN HA H 1 3.989 0.000 . . . . . . . . . . 5576 1 1834 . 1 1 182 182 GLN CB C 13 31.445 0.000 . . . . . . . . . . 5576 1 1835 . 1 1 182 182 GLN HB2 H 1 1.374 0.000 . . . . . . . . . . 5576 1 1836 . 1 1 182 182 GLN HB3 H 1 1.651 0.000 . . . . . . . . . . 5576 1 1837 . 1 1 182 182 GLN CG C 13 34.745 0.000 . . . . . . . . . . 5576 1 1838 . 1 1 182 182 GLN HG2 H 1 2.056 0.000 . . . . . . . . . . 5576 1 1839 . 1 1 182 182 GLN HG3 H 1 2.085 0.000 . . . . . . . . . . 5576 1 1840 . 1 1 182 182 GLN NE2 N 15 112.434 0.000 . . . . . . . . . . 5576 1 1841 . 1 1 182 182 GLN HE21 H 1 6.777 0.000 . . . . . . . . . . 5576 1 1842 . 1 1 182 182 GLN HE22 H 1 7.473 0.000 . . . . . . . . . . 5576 1 1843 . 1 1 183 183 PHE N N 15 118.121 0.000 . . . . . . . . . . 5576 1 1844 . 1 1 183 183 PHE H H 1 7.537 0.001 . . . . . . . . . . 5576 1 1845 . 1 1 183 183 PHE CA C 13 55.137 0.000 . . . . . . . . . . 5576 1 1846 . 1 1 183 183 PHE HA H 1 4.187 0.000 . . . . . . . . . . 5576 1 1847 . 1 1 183 183 PHE CB C 13 38.822 0.003 . . . . . . . . . . 5576 1 1848 . 1 1 183 183 PHE HB2 H 1 2.172 0.000 . . . . . . . . . . 5576 1 1849 . 1 1 183 183 PHE HB3 H 1 2.839 0.000 . . . . . . . . . . 5576 1 1850 . 1 1 183 183 PHE HE1 H 1 7.198 0.000 . . . . . . . . . . 5576 1 1851 . 1 1 183 183 PHE CE1 C 13 130.506 0.000 . . . . . . . . . . 5576 1 1852 . 1 1 183 183 PHE CZ C 13 129.341 0.000 . . . . . . . . . . 5576 1 1853 . 1 1 183 183 PHE HZ H 1 7.307 0.000 . . . . . . . . . . 5576 1 1854 . 1 1 184 184 PRO CD C 13 50.695 0.000 . . . . . . . . . . 5576 1 1855 . 1 1 184 184 PRO CA C 13 62.030 0.000 . . . . . . . . . . 5576 1 1856 . 1 1 184 184 PRO HA H 1 4.612 0.000 . . . . . . . . . . 5576 1 1857 . 1 1 184 184 PRO CB C 13 32.610 0.000 . . . . . . . . . . 5576 1 1858 . 1 1 184 184 PRO HB2 H 1 2.011 0.000 . . . . . . . . . . 5576 1 1859 . 1 1 184 184 PRO HB3 H 1 2.363 0.000 . . . . . . . . . . 5576 1 1860 . 1 1 184 184 PRO CG C 13 27.172 0.000 . . . . . . . . . . 5576 1 1861 . 1 1 184 184 PRO HG2 H 1 1.879 0.000 . . . . . . . . . . 5576 1 1862 . 1 1 184 184 PRO HG3 H 1 1.938 0.000 . . . . . . . . . . 5576 1 1863 . 1 1 184 184 PRO HD2 H 1 3.073 0.000 . . . . . . . . . . 5576 1 1864 . 1 1 184 184 PRO HD3 H 1 3.499 0.000 . . . . . . . . . . 5576 1 1865 . 1 1 185 185 GLU N N 15 120.074 0.000 . . . . . . . . . . 5576 1 1866 . 1 1 185 185 GLU H H 1 8.383 0.002 . . . . . . . . . . 5576 1 1867 . 1 1 185 185 GLU CA C 13 59.024 0.000 . . . . . . . . . . 5576 1 1868 . 1 1 185 185 GLU HA H 1 4.161 0.000 . . . . . . . . . . 5576 1 1869 . 1 1 185 185 GLU CB C 13 29.697 0.000 . . . . . . . . . . 5576 1 1870 . 1 1 185 185 GLU HB2 H 1 1.967 0.000 . . . . . . . . . . 5576 1 1871 . 1 1 185 185 GLU HB3 H 1 1.996 0.000 . . . . . . . . . . 5576 1 1872 . 1 1 185 185 GLU CG C 13 36.883 0.000 . . . . . . . . . . 5576 1 1873 . 1 1 185 185 GLU HG2 H 1 2.224 0.000 . . . . . . . . . . 5576 1 1874 . 1 1 185 185 GLU HG3 H 1 2.302 0.000 . . . . . . . . . . 5576 1 1875 . 1 1 186 186 GLY N N 15 107.615 0.000 . . . . . . . . . . 5576 1 1876 . 1 1 186 186 GLY H H 1 7.651 0.001 . . . . . . . . . . 5576 1 1877 . 1 1 186 186 GLY CA C 13 44.797 0.000 . . . . . . . . . . 5576 1 1878 . 1 1 186 186 GLY HA2 H 1 3.668 0.000 . . . . . . . . . . 5576 1 1879 . 1 1 186 186 GLY HA3 H 1 4.275 0.000 . . . . . . . . . . 5576 1 1880 . 1 1 187 187 PHE N N 15 124.386 0.000 . . . . . . . . . . 5576 1 1881 . 1 1 187 187 PHE H H 1 8.242 0.000 . . . . . . . . . . 5576 1 1882 . 1 1 187 187 PHE CA C 13 59.805 0.000 . . . . . . . . . . 5576 1 1883 . 1 1 187 187 PHE HA H 1 3.777 0.000 . . . . . . . . . . 5576 1 1884 . 1 1 187 187 PHE CB C 13 39.020 0.000 . . . . . . . . . . 5576 1 1885 . 1 1 187 187 PHE HB2 H 1 2.102 0.000 . . . . . . . . . . 5576 1 1886 . 1 1 187 187 PHE HB3 H 1 3.280 0.000 . . . . . . . . . . 5576 1 1887 . 1 1 188 188 GLN N N 15 127.374 0.000 . . . . . . . . . . 5576 1 1888 . 1 1 188 188 GLN H H 1 7.487 0.000 . . . . . . . . . . 5576 1 1889 . 1 1 188 188 GLN CA C 13 53.851 0.000 . . . . . . . . . . 5576 1 1890 . 1 1 188 188 GLN HA H 1 4.333 0.000 . . . . . . . . . . 5576 1 1891 . 1 1 188 188 GLN CB C 13 27.366 0.000 . . . . . . . . . . 5576 1 1892 . 1 1 188 188 GLN HB2 H 1 1.615 0.000 . . . . . . . . . . 5576 1 1893 . 1 1 188 188 GLN HB3 H 1 1.747 0.000 . . . . . . . . . . 5576 1 1894 . 1 1 188 188 GLN CG C 13 33.581 0.000 . . . . . . . . . . 5576 1 1895 . 1 1 188 188 GLN HG2 H 1 2.165 0.000 . . . . . . . . . . 5576 1 1896 . 1 1 188 188 GLN NE2 N 15 113.398 0.000 . . . . . . . . . . 5576 1 1897 . 1 1 188 188 GLN HE21 H 1 6.785 0.000 . . . . . . . . . . 5576 1 1898 . 1 1 188 188 GLN HE22 H 1 7.438 0.000 . . . . . . . . . . 5576 1 1899 . 1 1 189 189 PHE N N 15 127.230 0.000 . . . . . . . . . . 5576 1 1900 . 1 1 189 189 PHE H H 1 8.198 0.000 . . . . . . . . . . 5576 1 1901 . 1 1 189 189 PHE CA C 13 59.607 0.000 . . . . . . . . . . 5576 1 1902 . 1 1 189 189 PHE HA H 1 4.636 0.000 . . . . . . . . . . 5576 1 1903 . 1 1 189 189 PHE CB C 13 40.962 0.000 . . . . . . . . . . 5576 1 1904 . 1 1 189 189 PHE HB2 H 1 2.707 0.000 . . . . . . . . . . 5576 1 1905 . 1 1 189 189 PHE HB3 H 1 2.781 0.000 . . . . . . . . . . 5576 1 1906 . 1 1 189 189 PHE HD1 H 1 7.228 0.000 . . . . . . . . . . 5576 1 1907 . 1 1 189 189 PHE HE1 H 1 6.605 0.000 . . . . . . . . . . 5576 1 1908 . 1 1 189 189 PHE CD1 C 13 132.370 0.000 . . . . . . . . . . 5576 1 1909 . 1 1 189 189 PHE CE1 C 13 131.904 0.000 . . . . . . . . . . 5576 1 1910 . 1 1 189 189 PHE CZ C 13 128.642 0.000 . . . . . . . . . . 5576 1 1911 . 1 1 189 189 PHE HZ H 1 5.844 0.000 . . . . . . . . . . 5576 1 1912 . 1 1 190 190 ASP N N 15 126.313 0.000 . . . . . . . . . . 5576 1 1913 . 1 1 190 190 ASP H H 1 9.590 0.000 . . . . . . . . . . 5576 1 1914 . 1 1 190 190 ASP CA C 13 53.092 0.000 . . . . . . . . . . 5576 1 1915 . 1 1 190 190 ASP HA H 1 4.975 0.000 . . . . . . . . . . 5576 1 1916 . 1 1 190 190 ASP CB C 13 43.875 0.000 . . . . . . . . . . 5576 1 1917 . 1 1 190 190 ASP HB2 H 1 2.341 0.000 . . . . . . . . . . 5576 1 1918 . 1 1 190 190 ASP HB3 H 1 2.956 0.000 . . . . . . . . . . 5576 1 1919 . 1 1 191 191 THR N N 15 112.627 0.000 . . . . . . . . . . 5576 1 1920 . 1 1 191 191 THR H H 1 8.586 0.000 . . . . . . . . . . 5576 1 1921 . 1 1 191 191 THR CA C 13 62.520 0.000 . . . . . . . . . . 5576 1 1922 . 1 1 191 191 THR HA H 1 4.275 0.000 . . . . . . . . . . 5576 1 1923 . 1 1 191 191 THR CB C 13 68.340 0.000 . . . . . . . . . . 5576 1 1924 . 1 1 191 191 THR HB H 1 4.553 0.000 . . . . . . . . . . 5576 1 1925 . 1 1 191 191 THR HG21 H 1 1.176 0.000 . . . . . . . . . . 5576 1 1926 . 1 1 191 191 THR HG22 H 1 1.176 0.000 . . . . . . . . . . 5576 1 1927 . 1 1 191 191 THR HG23 H 1 1.176 0.000 . . . . . . . . . . 5576 1 1928 . 1 1 191 191 THR CG2 C 13 21.928 0.000 . . . . . . . . . . 5576 1 1929 . 1 1 192 192 ASP N N 15 124.244 0.000 . . . . . . . . . . 5576 1 1930 . 1 1 192 192 ASP H H 1 8.710 0.000 . . . . . . . . . . 5576 1 1931 . 1 1 192 192 ASP CA C 13 56.305 0.000 . . . . . . . . . . 5576 1 1932 . 1 1 192 192 ASP HA H 1 4.707 0.000 . . . . . . . . . . 5576 1 1933 . 1 1 192 192 ASP CB C 13 41.635 0.000 . . . . . . . . . . 5576 1 1934 . 1 1 192 192 ASP HB2 H 1 2.715 0.000 . . . . . . . . . . 5576 1 1935 . 1 1 192 192 ASP HB3 H 1 2.803 0.000 . . . . . . . . . . 5576 1 1936 . 1 1 193 193 GLU N N 15 122.554 0.000 . . . . . . . . . . 5576 1 1937 . 1 1 193 193 GLU H H 1 7.831 0.000 . . . . . . . . . . 5576 1 1938 . 1 1 193 193 GLU CA C 13 55.334 0.000 . . . . . . . . . . 5576 1 1939 . 1 1 193 193 GLU HA H 1 4.190 0.000 . . . . . . . . . . 5576 1 1940 . 1 1 193 193 GLU CB C 13 29.309 0.000 . . . . . . . . . . 5576 1 1941 . 1 1 193 193 GLU HB2 H 1 1.692 0.000 . . . . . . . . . . 5576 1 1942 . 1 1 193 193 GLU HB3 H 1 1.821 0.000 . . . . . . . . . . 5576 1 1943 . 1 1 193 193 GLU CG C 13 36.113 0.000 . . . . . . . . . . 5576 1 1944 . 1 1 193 193 GLU HG2 H 1 2.064 0.000 . . . . . . . . . . 5576 1 1945 . 1 1 193 193 GLU HG3 H 1 2.110 0.000 . . . . . . . . . . 5576 1 1946 . 1 1 194 194 VAL N N 15 119.952 0.000 . . . . . . . . . . 5576 1 1947 . 1 1 194 194 VAL H H 1 7.480 0.000 . . . . . . . . . . 5576 1 1948 . 1 1 194 194 VAL CA C 13 64.685 0.000 . . . . . . . . . . 5576 1 1949 . 1 1 194 194 VAL HA H 1 3.586 0.000 . . . . . . . . . . 5576 1 1950 . 1 1 194 194 VAL CB C 13 30.280 0.000 . . . . . . . . . . 5576 1 1951 . 1 1 194 194 VAL HB H 1 1.806 0.000 . . . . . . . . . . 5576 1 1952 . 1 1 194 194 VAL HG11 H 1 0.192 0.005 . . . . . . . . . . 5576 1 1953 . 1 1 194 194 VAL HG12 H 1 0.192 0.005 . . . . . . . . . . 5576 1 1954 . 1 1 194 194 VAL HG13 H 1 0.192 0.005 . . . . . . . . . . 5576 1 1955 . 1 1 194 194 VAL HG21 H 1 0.665 0.000 . . . . . . . . . . 5576 1 1956 . 1 1 194 194 VAL HG22 H 1 0.665 0.000 . . . . . . . . . . 5576 1 1957 . 1 1 194 194 VAL HG23 H 1 0.665 0.000 . . . . . . . . . . 5576 1 1958 . 1 1 194 194 VAL CG1 C 13 21.654 0.000 . . . . . . . . . . 5576 1 1959 . 1 1 194 194 VAL CG2 C 13 21.540 0.000 . . . . . . . . . . 5576 1 1960 . 1 1 195 195 ASN N N 15 125.928 0.000 . . . . . . . . . . 5576 1 1961 . 1 1 195 195 ASN H H 1 7.909 0.001 . . . . . . . . . . 5576 1 1962 . 1 1 195 195 ASN CA C 13 51.481 0.000 . . . . . . . . . . 5576 1 1963 . 1 1 195 195 ASN HA H 1 4.906 0.000 . . . . . . . . . . 5576 1 1964 . 1 1 195 195 ASN CB C 13 36.883 0.000 . . . . . . . . . . 5576 1 1965 . 1 1 195 195 ASN HB2 H 1 2.846 0.000 . . . . . . . . . . 5576 1 1966 . 1 1 195 195 ASN HB3 H 1 3.426 0.000 . . . . . . . . . . 5576 1 1967 . 1 1 196 196 PHE N N 15 114.844 0.000 . . . . . . . . . . 5576 1 1968 . 1 1 196 196 PHE H H 1 6.798 0.000 . . . . . . . . . . 5576 1 1969 . 1 1 196 196 PHE CA C 13 53.198 0.000 . . . . . . . . . . 5576 1 1970 . 1 1 196 196 PHE HA H 1 5.213 0.001 . . . . . . . . . . 5576 1 1971 . 1 1 196 196 PHE CB C 13 38.221 0.000 . . . . . . . . . . 5576 1 1972 . 1 1 196 196 PHE HB2 H 1 2.700 0.000 . . . . . . . . . . 5576 1 1973 . 1 1 196 196 PHE HB3 H 1 2.970 0.000 . . . . . . . . . . 5576 1 1974 . 1 1 196 196 PHE HD1 H 1 7.359 0.000 . . . . . . . . . . 5576 1 1975 . 1 1 196 196 PHE HE1 H 1 7.029 0.000 . . . . . . . . . . 5576 1 1976 . 1 1 196 196 PHE CE1 C 13 130.739 0.000 . . . . . . . . . . 5576 1 1977 . 1 1 196 196 PHE CD1 C 13 134.235 0.000 . . . . . . . . . . 5576 1 1978 . 1 1 196 196 PHE CZ C 13 128.176 0.000 . . . . . . . . . . 5576 1 1979 . 1 1 196 196 PHE HZ H 1 6.883 0.000 . . . . . . . . . . 5576 1 1980 . 1 1 197 197 PRO CD C 13 51.061 0.000 . . . . . . . . . . 5576 1 1981 . 1 1 197 197 PRO CA C 13 63.464 0.000 . . . . . . . . . . 5576 1 1982 . 1 1 197 197 PRO HA H 1 4.297 0.000 . . . . . . . . . . 5576 1 1983 . 1 1 197 197 PRO CB C 13 32.874 0.000 . . . . . . . . . . 5576 1 1984 . 1 1 197 197 PRO HB2 H 1 1.843 0.000 . . . . . . . . . . 5576 1 1985 . 1 1 197 197 PRO HB3 H 1 2.407 0.000 . . . . . . . . . . 5576 1 1986 . 1 1 197 197 PRO CG C 13 27.949 0.000 . . . . . . . . . . 5576 1 1987 . 1 1 197 197 PRO HG2 H 1 1.965 0.000 . . . . . . . . . . 5576 1 1988 . 1 1 197 197 PRO HG3 H 1 2.012 0.000 . . . . . . . . . . 5576 1 1989 . 1 1 197 197 PRO HD2 H 1 3.279 0.000 . . . . . . . . . . 5576 1 1990 . 1 1 197 197 PRO HD3 H 1 3.865 0.000 . . . . . . . . . . 5576 1 1991 . 1 1 198 198 VAL N N 15 110.796 0.000 . . . . . . . . . . 5576 1 1992 . 1 1 198 198 VAL H H 1 7.839 0.001 . . . . . . . . . . 5576 1 1993 . 1 1 198 198 VAL CA C 13 59.801 0.000 . . . . . . . . . . 5576 1 1994 . 1 1 198 198 VAL HA H 1 4.267 0.000 . . . . . . . . . . 5576 1 1995 . 1 1 198 198 VAL CB C 13 32.028 0.000 . . . . . . . . . . 5576 1 1996 . 1 1 198 198 VAL HB H 1 2.055 0.000 . . . . . . . . . . 5576 1 1997 . 1 1 198 198 VAL HG11 H 1 0.670 0.000 . . . . . . . . . . 5576 1 1998 . 1 1 198 198 VAL HG12 H 1 0.670 0.000 . . . . . . . . . . 5576 1 1999 . 1 1 198 198 VAL HG13 H 1 0.670 0.000 . . . . . . . . . . 5576 1 2000 . 1 1 198 198 VAL HG21 H 1 0.597 0.000 . . . . . . . . . . 5576 1 2001 . 1 1 198 198 VAL HG22 H 1 0.597 0.000 . . . . . . . . . . 5576 1 2002 . 1 1 198 198 VAL HG23 H 1 0.597 0.000 . . . . . . . . . . 5576 1 2003 . 1 1 198 198 VAL CG1 C 13 22.899 0.000 . . . . . . . . . . 5576 1 2004 . 1 1 198 198 VAL CG2 C 13 18.627 0.000 . . . . . . . . . . 5576 1 2005 . 1 1 199 199 ASP N N 15 118.506 0.000 . . . . . . . . . . 5576 1 2006 . 1 1 199 199 ASP H H 1 7.480 0.000 . . . . . . . . . . 5576 1 2007 . 1 1 199 199 ASP CA C 13 52.421 0.000 . . . . . . . . . . 5576 1 2008 . 1 1 199 199 ASP HA H 1 4.956 0.000 . . . . . . . . . . 5576 1 2009 . 1 1 199 199 ASP CB C 13 43.292 0.000 . . . . . . . . . . 5576 1 2010 . 1 1 199 199 ASP HB2 H 1 2.590 0.000 . . . . . . . . . . 5576 1 2011 . 1 1 200 200 ASN N N 15 114.362 0.000 . . . . . . . . . . 5576 1 2012 . 1 1 200 200 ASN H H 1 8.337 0.000 . . . . . . . . . . 5576 1 2013 . 1 1 200 200 ASN CA C 13 54.958 0.000 . . . . . . . . . . 5576 1 2014 . 1 1 200 200 ASN HA H 1 4.215 0.000 . . . . . . . . . . 5576 1 2015 . 1 1 200 200 ASN CB C 13 37.077 0.000 . . . . . . . . . . 5576 1 2016 . 1 1 200 200 ASN HB2 H 1 2.883 0.000 . . . . . . . . . . 5576 1 2017 . 1 1 200 200 ASN HB3 H 1 3.022 0.000 . . . . . . . . . . 5576 1 2018 . 1 1 200 200 ASN ND2 N 15 115.518 0.000 . . . . . . . . . . 5576 1 2019 . 1 1 200 200 ASN HD21 H 1 6.830 0.000 . . . . . . . . . . 5576 1 2020 . 1 1 200 200 ASN HD22 H 1 7.436 0.000 . . . . . . . . . . 5576 1 2021 . 1 1 201 201 LEU N N 15 117.061 0.000 . . . . . . . . . . 5576 1 2022 . 1 1 201 201 LEU H H 1 9.189 0.000 . . . . . . . . . . 5576 1 2023 . 1 1 201 201 LEU CA C 13 54.169 0.000 . . . . . . . . . . 5576 1 2024 . 1 1 201 201 LEU HA H 1 4.400 0.000 . . . . . . . . . . 5576 1 2025 . 1 1 201 201 LEU CB C 13 41.350 0.000 . . . . . . . . . . 5576 1 2026 . 1 1 201 201 LEU HB2 H 1 1.066 0.000 . . . . . . . . . . 5576 1 2027 . 1 1 201 201 LEU HB3 H 1 2.143 0.000 . . . . . . . . . . 5576 1 2028 . 1 1 201 201 LEU CG C 13 27.561 0.000 . . . . . . . . . . 5576 1 2029 . 1 1 201 201 LEU HG H 1 1.323 0.000 . . . . . . . . . . 5576 1 2030 . 1 1 201 201 LEU HD11 H 1 0.569 0.000 . . . . . . . . . . 5576 1 2031 . 1 1 201 201 LEU HD12 H 1 0.569 0.000 . . . . . . . . . . 5576 1 2032 . 1 1 201 201 LEU HD13 H 1 0.569 0.000 . . . . . . . . . . 5576 1 2033 . 1 1 201 201 LEU HD21 H 1 0.552 0.000 . . . . . . . . . . 5576 1 2034 . 1 1 201 201 LEU HD22 H 1 0.552 0.000 . . . . . . . . . . 5576 1 2035 . 1 1 201 201 LEU HD23 H 1 0.552 0.000 . . . . . . . . . . 5576 1 2036 . 1 1 201 201 LEU CD1 C 13 27.949 0.000 . . . . . . . . . . 5576 1 2037 . 1 1 201 201 LEU CD2 C 13 24.647 0.000 . . . . . . . . . . 5576 1 2038 . 1 1 202 202 CYS N N 15 119.470 0.000 . . . . . . . . . . 5576 1 2039 . 1 1 202 202 CYS H H 1 8.433 0.000 . . . . . . . . . . 5576 1 2040 . 1 1 202 202 CYS CA C 13 57.082 0.000 . . . . . . . . . . 5576 1 2041 . 1 1 202 202 CYS HA H 1 5.025 0.000 . . . . . . . . . . 5576 1 2042 . 1 1 202 202 CYS CB C 13 27.949 0.000 . . . . . . . . . . 5576 1 2043 . 1 1 202 202 CYS HB2 H 1 2.534 0.000 . . . . . . . . . . 5576 1 2044 . 1 1 202 202 CYS HB3 H 1 3.124 0.000 . . . . . . . . . . 5576 1 2045 . 1 1 203 203 PHE N N 15 131.904 0.000 . . . . . . . . . . 5576 1 2046 . 1 1 203 203 PHE H H 1 9.693 0.000 . . . . . . . . . . 5576 1 2047 . 1 1 203 203 PHE CA C 13 61.355 0.000 . . . . . . . . . . 5576 1 2048 . 1 1 203 203 PHE HA H 1 4.048 0.000 . . . . . . . . . . 5576 1 2049 . 1 1 203 203 PHE CB C 13 38.707 0.000 . . . . . . . . . . 5576 1 2050 . 1 1 203 203 PHE HB2 H 1 2.949 0.000 . . . . . . . . . . 5576 1 2051 . 1 1 203 203 PHE HB3 H 1 3.395 0.000 . . . . . . . . . . 5576 1 2052 . 1 1 203 203 PHE HD1 H 1 7.246 0.000 . . . . . . . . . . 5576 1 2053 . 1 1 203 203 PHE HE1 H 1 7.403 0.000 . . . . . . . . . . 5576 1 2054 . 1 1 203 203 PHE CD1 C 13 131.904 0.000 . . . . . . . . . . 5576 1 2055 . 1 1 203 203 PHE CE1 C 13 130.273 0.000 . . . . . . . . . . 5576 1 2056 . 1 1 203 203 PHE CZ C 13 129.574 0.000 . . . . . . . . . . 5576 1 2057 . 1 1 203 203 PHE HZ H 1 7.503 0.000 . . . . . . . . . . 5576 1 2058 . 1 1 204 204 VAL N N 15 126.024 0.000 . . . . . . . . . . 5576 1 2059 . 1 1 204 204 VAL H H 1 7.861 0.000 . . . . . . . . . . 5576 1 2060 . 1 1 204 204 VAL CA C 13 64.268 0.000 . . . . . . . . . . 5576 1 2061 . 1 1 204 204 VAL HA H 1 4.194 0.000 . . . . . . . . . . 5576 1 2062 . 1 1 204 204 VAL CB C 13 33.444 0.000 . . . . . . . . . . 5576 1 2063 . 1 1 204 204 VAL HB H 1 1.059 0.000 . . . . . . . . . . 5576 1 2064 . 1 1 204 204 VAL HG11 H 1 0.505 0.000 . . . . . . . . . . 5576 1 2065 . 1 1 204 204 VAL HG12 H 1 0.505 0.000 . . . . . . . . . . 5576 1 2066 . 1 1 204 204 VAL HG13 H 1 0.505 0.000 . . . . . . . . . . 5576 1 2067 . 1 1 204 204 VAL HG21 H 1 0.209 0.000 . . . . . . . . . . 5576 1 2068 . 1 1 204 204 VAL HG22 H 1 0.209 0.000 . . . . . . . . . . 5576 1 2069 . 1 1 204 204 VAL HG23 H 1 0.209 0.000 . . . . . . . . . . 5576 1 2070 . 1 1 204 204 VAL CG1 C 13 22.899 0.000 . . . . . . . . . . 5576 1 2071 . 1 1 204 204 VAL CG2 C 13 21.151 0.000 . . . . . . . . . . 5576 1 2072 . 1 1 205 205 GLY N N 15 102.025 0.000 . . . . . . . . . . 5576 1 2073 . 1 1 205 205 GLY H H 1 6.819 0.000 . . . . . . . . . . 5576 1 2074 . 1 1 205 205 GLY CA C 13 47.759 0.000 . . . . . . . . . . 5576 1 2075 . 1 1 205 205 GLY HA2 H 1 4.231 0.000 . . . . . . . . . . 5576 1 2076 . 1 1 205 205 GLY HA3 H 1 4.773 0.000 . . . . . . . . . . 5576 1 2077 . 1 1 206 206 LEU N N 15 117.027 0.000 . . . . . . . . . . 5576 1 2078 . 1 1 206 206 LEU H H 1 9.692 0.000 . . . . . . . . . . 5576 1 2079 . 1 1 206 206 LEU CA C 13 53.003 0.000 . . . . . . . . . . 5576 1 2080 . 1 1 206 206 LEU HA H 1 6.173 0.000 . . . . . . . . . . 5576 1 2081 . 1 1 206 206 LEU CB C 13 45.040 0.000 . . . . . . . . . . 5576 1 2082 . 1 1 206 206 LEU HB2 H 1 1.520 0.000 . . . . . . . . . . 5576 1 2083 . 1 1 206 206 LEU HB3 H 1 2.129 0.000 . . . . . . . . . . 5576 1 2084 . 1 1 206 206 LEU CG C 13 26.978 0.000 . . . . . . . . . . 5576 1 2085 . 1 1 206 206 LEU HG H 1 2.458 0.000 . . . . . . . . . . 5576 1 2086 . 1 1 206 206 LEU HD11 H 1 0.500 0.000 . . . . . . . . . . 5576 1 2087 . 1 1 206 206 LEU HD12 H 1 0.500 0.000 . . . . . . . . . . 5576 1 2088 . 1 1 206 206 LEU HD13 H 1 0.500 0.000 . . . . . . . . . . 5576 1 2089 . 1 1 206 206 LEU HD21 H 1 1.205 0.000 . . . . . . . . . . 5576 1 2090 . 1 1 206 206 LEU HD22 H 1 1.205 0.000 . . . . . . . . . . 5576 1 2091 . 1 1 206 206 LEU HD23 H 1 1.205 0.000 . . . . . . . . . . 5576 1 2092 . 1 1 206 206 LEU CD1 C 13 24.259 0.000 . . . . . . . . . . 5576 1 2093 . 1 1 206 206 LEU CD2 C 13 24.065 0.000 . . . . . . . . . . 5576 1 2094 . 1 1 207 207 ILE N N 15 119.374 0.000 . . . . . . . . . . 5576 1 2095 . 1 1 207 207 ILE H H 1 8.967 0.000 . . . . . . . . . . 5576 1 2096 . 1 1 207 207 ILE CA C 13 62.909 0.000 . . . . . . . . . . 5576 1 2097 . 1 1 207 207 ILE HA H 1 4.839 0.000 . . . . . . . . . . 5576 1 2098 . 1 1 207 207 ILE CB C 13 40.962 0.000 . . . . . . . . . . 5576 1 2099 . 1 1 207 207 ILE HB H 1 1.758 0.001 . . . . . . . . . . 5576 1 2100 . 1 1 207 207 ILE HG21 H 1 1.044 0.000 . . . . . . . . . . 5576 1 2101 . 1 1 207 207 ILE HG22 H 1 1.044 0.000 . . . . . . . . . . 5576 1 2102 . 1 1 207 207 ILE HG23 H 1 1.044 0.000 . . . . . . . . . . 5576 1 2103 . 1 1 207 207 ILE CG2 C 13 19.435 0.000 . . . . . . . . . . 5576 1 2104 . 1 1 207 207 ILE CG1 C 13 28.143 0.000 . . . . . . . . . . 5576 1 2105 . 1 1 207 207 ILE HG12 H 1 0.937 0.000 . . . . . . . . . . 5576 1 2106 . 1 1 207 207 ILE HG13 H 1 1.250 0.000 . . . . . . . . . . 5576 1 2107 . 1 1 207 207 ILE HD11 H 1 -0.055 0.000 . . . . . . . . . . 5576 1 2108 . 1 1 207 207 ILE HD12 H 1 -0.055 0.000 . . . . . . . . . . 5576 1 2109 . 1 1 207 207 ILE HD13 H 1 -0.055 0.000 . . . . . . . . . . 5576 1 2110 . 1 1 207 207 ILE CD1 C 13 11.052 0.000 . . . . . . . . . . 5576 1 2111 . 1 1 208 208 SER N N 15 125.253 0.000 . . . . . . . . . . 5576 1 2112 . 1 1 208 208 SER H H 1 9.824 0.001 . . . . . . . . . . 5576 1 2113 . 1 1 208 208 SER CA C 13 56.339 0.000 . . . . . . . . . . 5576 1 2114 . 1 1 208 208 SER HA H 1 6.226 0.000 . . . . . . . . . . 5576 1 2115 . 1 1 208 208 SER CB C 13 68.735 0.000 . . . . . . . . . . 5576 1 2116 . 1 1 208 208 SER HB2 H 1 3.639 0.000 . . . . . . . . . . 5576 1 2117 . 1 1 208 208 SER HB3 H 1 4.093 0.000 . . . . . . . . . . 5576 1 2118 . 1 1 209 209 MET N N 15 120.530 0.000 . . . . . . . . . . 5576 1 2119 . 1 1 209 209 MET H H 1 9.319 0.000 . . . . . . . . . . 5576 1 2120 . 1 1 209 209 MET CA C 13 54.625 0.000 . . . . . . . . . . 5576 1 2121 . 1 1 209 209 MET HA H 1 5.316 0.000 . . . . . . . . . . 5576 1 2122 . 1 1 209 209 MET CB C 13 37.660 0.000 . . . . . . . . . . 5576 1 2123 . 1 1 209 209 MET HB2 H 1 1.755 0.000 . . . . . . . . . . 5576 1 2124 . 1 1 209 209 MET HB3 H 1 1.931 0.000 . . . . . . . . . . 5576 1 2125 . 1 1 209 209 MET CG C 13 32.222 0.000 . . . . . . . . . . 5576 1 2126 . 1 1 209 209 MET HG2 H 1 2.371 0.000 . . . . . . . . . . 5576 1 2127 . 1 1 209 209 MET HG3 H 1 2.422 0.000 . . . . . . . . . . 5576 1 2128 . 1 1 209 209 MET HE1 H 1 1.873 0.000 . . . . . . . . . . 5576 1 2129 . 1 1 209 209 MET HE2 H 1 1.873 0.000 . . . . . . . . . . 5576 1 2130 . 1 1 209 209 MET HE3 H 1 1.873 0.000 . . . . . . . . . . 5576 1 2131 . 1 1 209 209 MET CE C 13 17.073 0.000 . . . . . . . . . . 5576 1 2132 . 1 1 210 210 ILE N N 15 118.988 0.000 . . . . . . . . . . 5576 1 2133 . 1 1 210 210 ILE H H 1 8.893 0.000 . . . . . . . . . . 5576 1 2134 . 1 1 210 210 ILE CA C 13 59.995 0.000 . . . . . . . . . . 5576 1 2135 . 1 1 210 210 ILE HA H 1 4.601 0.000 . . . . . . . . . . 5576 1 2136 . 1 1 210 210 ILE CB C 13 41.739 0.000 . . . . . . . . . . 5576 1 2137 . 1 1 210 210 ILE HB H 1 1.762 0.000 . . . . . . . . . . 5576 1 2138 . 1 1 210 210 ILE HG21 H 1 0.870 0.000 . . . . . . . . . . 5576 1 2139 . 1 1 210 210 ILE HG22 H 1 0.870 0.000 . . . . . . . . . . 5576 1 2140 . 1 1 210 210 ILE HG23 H 1 0.870 0.000 . . . . . . . . . . 5576 1 2141 . 1 1 210 210 ILE CG2 C 13 17.655 0.000 . . . . . . . . . . 5576 1 2142 . 1 1 210 210 ILE CG1 C 13 27.755 0.000 . . . . . . . . . . 5576 1 2143 . 1 1 210 210 ILE HG12 H 1 1.203 0.000 . . . . . . . . . . 5576 1 2144 . 1 1 210 210 ILE HG13 H 1 1.498 0.000 . . . . . . . . . . 5576 1 2145 . 1 1 210 210 ILE HD11 H 1 0.876 0.000 . . . . . . . . . . 5576 1 2146 . 1 1 210 210 ILE HD12 H 1 0.876 0.000 . . . . . . . . . . 5576 1 2147 . 1 1 210 210 ILE HD13 H 1 0.876 0.000 . . . . . . . . . . 5576 1 2148 . 1 1 210 210 ILE CD1 C 13 13.771 0.000 . . . . . . . . . . 5576 1 2149 . 1 1 211 211 ASP N N 15 125.446 0.000 . . . . . . . . . . 5576 1 2150 . 1 1 211 211 ASP H H 1 8.529 0.001 . . . . . . . . . . 5576 1 2151 . 1 1 211 211 ASP CA C 13 51.450 0.000 . . . . . . . . . . 5576 1 2152 . 1 1 211 211 ASP HA H 1 5.081 0.000 . . . . . . . . . . 5576 1 2153 . 1 1 211 211 ASP CB C 13 40.962 0.000 . . . . . . . . . . 5576 1 2154 . 1 1 211 211 ASP HB2 H 1 2.429 0.000 . . . . . . . . . . 5576 1 2155 . 1 1 211 211 ASP HB3 H 1 2.716 0.000 . . . . . . . . . . 5576 1 2156 . 1 1 212 212 PRO CD C 13 50.673 0.000 . . . . . . . . . . 5576 1 2157 . 1 1 212 212 PRO CA C 13 61.549 0.000 . . . . . . . . . . 5576 1 2158 . 1 1 212 212 PRO HA H 1 4.592 0.000 . . . . . . . . . . 5576 1 2159 . 1 1 212 212 PRO CB C 13 30.862 0.000 . . . . . . . . . . 5576 1 2160 . 1 1 212 212 PRO HB2 H 1 1.939 0.000 . . . . . . . . . . 5576 1 2161 . 1 1 212 212 PRO HB3 H 1 2.239 0.000 . . . . . . . . . . 5576 1 2162 . 1 1 212 212 PRO CG C 13 27.366 0.000 . . . . . . . . . . 5576 1 2163 . 1 1 212 212 PRO HG2 H 1 1.880 0.000 . . . . . . . . . . 5576 1 2164 . 1 1 212 212 PRO HG3 H 1 2.012 0.000 . . . . . . . . . . 5576 1 2165 . 1 1 212 212 PRO HD2 H 1 3.680 0.000 . . . . . . . . . . 5576 1 2166 . 1 1 212 212 PRO HD3 H 1 3.881 0.000 . . . . . . . . . . 5576 1 2167 . 1 1 213 213 PRO CD C 13 50.284 0.000 . . . . . . . . . . 5576 1 2168 . 1 1 213 213 PRO CA C 13 64.462 0.000 . . . . . . . . . . 5576 1 2169 . 1 1 213 213 PRO HA H 1 4.224 0.000 . . . . . . . . . . 5576 1 2170 . 1 1 213 213 PRO CB C 13 32.028 0.000 . . . . . . . . . . 5576 1 2171 . 1 1 213 213 PRO HB2 H 1 1.872 0.000 . . . . . . . . . . 5576 1 2172 . 1 1 213 213 PRO HB3 H 1 2.187 0.000 . . . . . . . . . . 5576 1 2173 . 1 1 213 213 PRO CG C 13 27.172 0.000 . . . . . . . . . . 5576 1 2174 . 1 1 213 213 PRO HG2 H 1 1.961 0.000 . . . . . . . . . . 5576 1 2175 . 1 1 213 213 PRO HD2 H 1 3.615 0.000 . . . . . . . . . . 5576 1 2176 . 1 1 213 213 PRO HD3 H 1 3.769 0.000 . . . . . . . . . . 5576 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 5576 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5576 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 ATP H1' H 1 6.094 0.003 . . . . . . . . . . 5576 2 2 . 2 2 1 1 ATP H3' H 1 4.348 0.000 . . . . . . . . . . 5576 2 3 . 2 2 1 1 ATP H5' H 1 4.163 0.000 . . . . . . . . . . 5576 2 4 . 2 2 1 1 ATP H2 H 1 8.220 0.000 . . . . . . . . . . 5576 2 5 . 2 2 1 1 ATP H4' H 1 4.255 0.000 . . . . . . . . . . 5576 2 6 . 2 2 1 1 ATP H8 H 1 8.485 0.000 . . . . . . . . . . 5576 2 stop_ save_