data_18791 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18791 _Entry.Title ; Sequence-specific backbone 1H, 13C and 15N assignments of the catalytic domain of the Escherichia coli protein tyrosine kinase, Wzc ; _Entry.Type macromolecule _Entry.Version_type new _Entry.Submission_date 2012-10-15 _Entry.Accession_date 2012-10-15 _Entry.Last_release_date 2013-01-29 _Entry.Original_release_date 2013-01-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'NMR Assignment' _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 Deniz Temel . . . 18791 2 Kaushik Dutta . . . 18791 3 Ranajeet Ghose . . . 18791 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18791 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'New York Structural Biology Center' . 18791 2 . 'City College of New York' . 18791 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PaePE 1-177' . 18791 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18791 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 702 18791 '15N chemical shifts' 229 18791 '1H chemical shifts' 229 18791 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 . . 2013-01-29 2012-10-15 original author . 18791 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18791 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23225198 _Citation.Full_citation . _Citation.Title 'Sequence-specific backbone (1)H, (13)C and (15)N assignments of the catalytic domain of the Escherichia coli protein tyrosine kinase, Wzc.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2012 _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 Deniz Temel . B. . 18791 1 2 Kaushik Dutta . . . 18791 1 3 Ranajeet Ghose . . . 18791 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Bacterial Tyrosine Kinase' 18791 1 'BY Kinase' 18791 1 NMR 18791 1 Phosphorylation 18791 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18791 _Assembly.ID 1 _Assembly.Name WzcCD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 32500 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 WzcCD 1 $WzcCD A . yes native yes yes . . . 18791 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 yes PDB 3LA6 . . X-ray . . . 18791 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID phosphorylation 18791 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WzcCD _Entity.Sf_category entity _Entity.Sf_framecode WzcCD _Entity.Entry_ID 18791 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name WzcCD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MSLFNRGIESPQVLEEHGIS VYASIPLSEWQKARDSVKTI KGIKRYKQSQLLAVGNPTDL AIEAIRSLRTSLHFAMMQAQ NNVLMMTGVSPSIGKTFVCA NLAAVISQTNKRVLLIDCDM RKGYTHELLGTNNVNGLSEI LIGQGDITTAAKPTSIAKFD LIPRGQVPPNPSELLMSERF AELVNWASKNYDLVLIDTPP ILAVTDAAIVGRHVGTTLMV ARYAVNTLKEVETSLSRFEQ NGIPVKGVILNSIFRRASAY QDYGYYEYEYKSDAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 426-445 is from the his tag. Protein sequence starts from 446-720' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 295 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAA15913 . "protein-tyrosine kinase [Escherichia coli str. K12 substr. W3110]" . . . . . 92.88 720 100.00 100.00 0.00e+00 . . . . 18791 1 2 no DBJ BAB36288 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 92.88 732 100.00 100.00 0.00e+00 . . . . 18791 1 3 no DBJ BAG11866 . "protein-tyrosine kinase [Escherichia coli O55:H7]" . . . . . 92.88 720 99.64 100.00 0.00e+00 . . . . 18791 1 4 no DBJ BAG11924 . "protein-tyrosine kinase Wzc [Escherichia coli O55:H7]" . . . . . 92.88 720 99.64 100.00 0.00e+00 . . . . 18791 1 5 no DBJ BAG11980 . "protein-tyrosine kinase Wzc [Escherichia coli O55:H6]" . . . . . 92.88 720 99.64 100.00 0.00e+00 . . . . 18791 1 6 no EMBL CAP76567 . "Tyrosine-protein kinase wzc [Escherichia coli LF82]" . . . . . 92.88 720 99.64 99.64 0.00e+00 . . . . 18791 1 7 no EMBL CAQ32472 . "tyrosine kinase involved in colanic acid biosynthesis, subunit of capsular polysaccharide export apparatus [Escherichia coli BL" . . . . . 92.88 720 99.64 99.64 0.00e+00 . . . . 18791 1 8 no EMBL CAQ89647 . "protein-tyrosine kinase [Escherichia fergusonii ATCC 35469]" . . . . . 92.88 720 99.27 99.64 0.00e+00 . . . . 18791 1 9 no EMBL CAQ98983 . "protein-tyrosine kinase [Escherichia coli IAI1]" . . . . . 92.88 720 100.00 100.00 0.00e+00 . . . . 18791 1 10 no EMBL CAR03444 . "protein-tyrosine kinase [Escherichia coli S88]" . . . . . 92.88 720 99.64 100.00 0.00e+00 . . . . 18791 1 11 no GB AAC75121 . "colanic acid production tyrosine-protein kinase; autokinase; Ugd phosphorylase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.88 720 100.00 100.00 0.00e+00 . . . . 18791 1 12 no GB AAC77835 . "putative membrane-associated ATP-hydrolase [Escherichia coli]" . . . . . 92.88 720 100.00 100.00 0.00e+00 . . . . 18791 1 13 no GB AAG57120 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 92.88 732 100.00 100.00 0.00e+00 . . . . 18791 1 14 no GB AAN43661 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 92.88 732 99.64 100.00 0.00e+00 . . . . 18791 1 15 no GB AAN81042 . "Tyrosine-protein kinase wzc [Escherichia coli CFT073]" . . . . . 92.88 732 100.00 100.00 0.00e+00 . . . . 18791 1 16 no REF NP_310892 . "tyrosine kinase [Escherichia coli O157:H7 str. Sakai]" . . . . . 92.88 720 100.00 100.00 0.00e+00 . . . . 18791 1 17 no REF NP_416564 . "colanic acid production tyrosine-protein kinase; autokinase; Ugd phosphorylase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 92.88 720 100.00 100.00 0.00e+00 . . . . 18791 1 18 no REF NP_707954 . "hypothetical protein SF2124 [Shigella flexneri 2a str. 301]" . . . . . 92.88 732 99.64 100.00 0.00e+00 . . . . 18791 1 19 no REF WP_000105997 . "tyrosine kinase [Shigella dysenteriae]" . . . . . 92.88 681 97.81 99.27 0.00e+00 . . . . 18791 1 20 no REF WP_000137082 . "tyrosine kinase [Escherichia coli]" . . . . . 92.88 720 99.64 99.64 0.00e+00 . . . . 18791 1 21 no SP P76387 . "RecName: Full=Tyrosine-protein kinase wzc" . . . . . 92.88 720 100.00 100.00 0.00e+00 . . . . 18791 1 22 no SP Q8X7L9 . "RecName: Full=Tyrosine-protein kinase wzc" . . . . . 92.88 720 100.00 100.00 0.00e+00 . . . . 18791 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Bacterial Tyrosine KInase' 18791 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 1 426 MET . 18791 1 2 427 GLY . 18791 1 3 428 SER . 18791 1 4 429 SER . 18791 1 5 430 HIS . 18791 1 6 431 HIS . 18791 1 7 432 HIS . 18791 1 8 433 HIS . 18791 1 9 434 HIS . 18791 1 10 435 HIS . 18791 1 11 436 SER . 18791 1 12 437 SER . 18791 1 13 438 GLY . 18791 1 14 439 LEU . 18791 1 15 440 VAL . 18791 1 16 441 PRO . 18791 1 17 442 ARG . 18791 1 18 443 GLY . 18791 1 19 444 SER . 18791 1 20 445 HIS . 18791 1 21 446 MET . 18791 1 22 447 SER . 18791 1 23 448 LEU . 18791 1 24 449 PHE . 18791 1 25 450 ASN . 18791 1 26 451 ARG . 18791 1 27 452 GLY . 18791 1 28 453 ILE . 18791 1 29 454 GLU . 18791 1 30 455 SER . 18791 1 31 456 PRO . 18791 1 32 457 GLN . 18791 1 33 458 VAL . 18791 1 34 459 LEU . 18791 1 35 460 GLU . 18791 1 36 461 GLU . 18791 1 37 462 HIS . 18791 1 38 463 GLY . 18791 1 39 464 ILE . 18791 1 40 465 SER . 18791 1 41 466 VAL . 18791 1 42 467 TYR . 18791 1 43 468 ALA . 18791 1 44 469 SER . 18791 1 45 470 ILE . 18791 1 46 471 PRO . 18791 1 47 472 LEU . 18791 1 48 473 SER . 18791 1 49 474 GLU . 18791 1 50 475 TRP . 18791 1 51 476 GLN . 18791 1 52 477 LYS . 18791 1 53 478 ALA . 18791 1 54 479 ARG . 18791 1 55 480 ASP . 18791 1 56 481 SER . 18791 1 57 482 VAL . 18791 1 58 483 LYS . 18791 1 59 484 THR . 18791 1 60 485 ILE . 18791 1 61 486 LYS . 18791 1 62 487 GLY . 18791 1 63 488 ILE . 18791 1 64 489 LYS . 18791 1 65 490 ARG . 18791 1 66 491 TYR . 18791 1 67 492 LYS . 18791 1 68 493 GLN . 18791 1 69 494 SER . 18791 1 70 495 GLN . 18791 1 71 496 LEU . 18791 1 72 497 LEU . 18791 1 73 498 ALA . 18791 1 74 499 VAL . 18791 1 75 500 GLY . 18791 1 76 501 ASN . 18791 1 77 502 PRO . 18791 1 78 503 THR . 18791 1 79 504 ASP . 18791 1 80 505 LEU . 18791 1 81 506 ALA . 18791 1 82 507 ILE . 18791 1 83 508 GLU . 18791 1 84 509 ALA . 18791 1 85 510 ILE . 18791 1 86 511 ARG . 18791 1 87 512 SER . 18791 1 88 513 LEU . 18791 1 89 514 ARG . 18791 1 90 515 THR . 18791 1 91 516 SER . 18791 1 92 517 LEU . 18791 1 93 518 HIS . 18791 1 94 519 PHE . 18791 1 95 520 ALA . 18791 1 96 521 MET . 18791 1 97 522 MET . 18791 1 98 523 GLN . 18791 1 99 524 ALA . 18791 1 100 525 GLN . 18791 1 101 526 ASN . 18791 1 102 527 ASN . 18791 1 103 528 VAL . 18791 1 104 529 LEU . 18791 1 105 530 MET . 18791 1 106 531 MET . 18791 1 107 532 THR . 18791 1 108 533 GLY . 18791 1 109 534 VAL . 18791 1 110 535 SER . 18791 1 111 536 PRO . 18791 1 112 537 SER . 18791 1 113 538 ILE . 18791 1 114 539 GLY . 18791 1 115 540 LYS . 18791 1 116 541 THR . 18791 1 117 542 PHE . 18791 1 118 543 VAL . 18791 1 119 544 CYS . 18791 1 120 545 ALA . 18791 1 121 546 ASN . 18791 1 122 547 LEU . 18791 1 123 548 ALA . 18791 1 124 549 ALA . 18791 1 125 550 VAL . 18791 1 126 551 ILE . 18791 1 127 552 SER . 18791 1 128 553 GLN . 18791 1 129 554 THR . 18791 1 130 555 ASN . 18791 1 131 556 LYS . 18791 1 132 557 ARG . 18791 1 133 558 VAL . 18791 1 134 559 LEU . 18791 1 135 560 LEU . 18791 1 136 561 ILE . 18791 1 137 562 ASP . 18791 1 138 563 CYS . 18791 1 139 564 ASP . 18791 1 140 565 MET . 18791 1 141 566 ARG . 18791 1 142 567 LYS . 18791 1 143 568 GLY . 18791 1 144 569 TYR . 18791 1 145 570 THR . 18791 1 146 571 HIS . 18791 1 147 572 GLU . 18791 1 148 573 LEU . 18791 1 149 574 LEU . 18791 1 150 575 GLY . 18791 1 151 576 THR . 18791 1 152 577 ASN . 18791 1 153 578 ASN . 18791 1 154 579 VAL . 18791 1 155 580 ASN . 18791 1 156 581 GLY . 18791 1 157 582 LEU . 18791 1 158 583 SER . 18791 1 159 584 GLU . 18791 1 160 585 ILE . 18791 1 161 586 LEU . 18791 1 162 587 ILE . 18791 1 163 588 GLY . 18791 1 164 589 GLN . 18791 1 165 590 GLY . 18791 1 166 591 ASP . 18791 1 167 592 ILE . 18791 1 168 593 THR . 18791 1 169 594 THR . 18791 1 170 595 ALA . 18791 1 171 596 ALA . 18791 1 172 597 LYS . 18791 1 173 598 PRO . 18791 1 174 599 THR . 18791 1 175 600 SER . 18791 1 176 601 ILE . 18791 1 177 602 ALA . 18791 1 178 603 LYS . 18791 1 179 604 PHE . 18791 1 180 605 ASP . 18791 1 181 606 LEU . 18791 1 182 607 ILE . 18791 1 183 608 PRO . 18791 1 184 609 ARG . 18791 1 185 610 GLY . 18791 1 186 611 GLN . 18791 1 187 612 VAL . 18791 1 188 613 PRO . 18791 1 189 614 PRO . 18791 1 190 615 ASN . 18791 1 191 616 PRO . 18791 1 192 617 SER . 18791 1 193 618 GLU . 18791 1 194 619 LEU . 18791 1 195 620 LEU . 18791 1 196 621 MET . 18791 1 197 622 SER . 18791 1 198 623 GLU . 18791 1 199 624 ARG . 18791 1 200 625 PHE . 18791 1 201 626 ALA . 18791 1 202 627 GLU . 18791 1 203 628 LEU . 18791 1 204 629 VAL . 18791 1 205 630 ASN . 18791 1 206 631 TRP . 18791 1 207 632 ALA . 18791 1 208 633 SER . 18791 1 209 634 LYS . 18791 1 210 635 ASN . 18791 1 211 636 TYR . 18791 1 212 637 ASP . 18791 1 213 638 LEU . 18791 1 214 639 VAL . 18791 1 215 640 LEU . 18791 1 216 641 ILE . 18791 1 217 642 ASP . 18791 1 218 643 THR . 18791 1 219 644 PRO . 18791 1 220 645 PRO . 18791 1 221 646 ILE . 18791 1 222 647 LEU . 18791 1 223 648 ALA . 18791 1 224 649 VAL . 18791 1 225 650 THR . 18791 1 226 651 ASP . 18791 1 227 652 ALA . 18791 1 228 653 ALA . 18791 1 229 654 ILE . 18791 1 230 655 VAL . 18791 1 231 656 GLY . 18791 1 232 657 ARG . 18791 1 233 658 HIS . 18791 1 234 659 VAL . 18791 1 235 660 GLY . 18791 1 236 661 THR . 18791 1 237 662 THR . 18791 1 238 663 LEU . 18791 1 239 664 MET . 18791 1 240 665 VAL . 18791 1 241 666 ALA . 18791 1 242 667 ARG . 18791 1 243 668 TYR . 18791 1 244 669 ALA . 18791 1 245 670 VAL . 18791 1 246 671 ASN . 18791 1 247 672 THR . 18791 1 248 673 LEU . 18791 1 249 674 LYS . 18791 1 250 675 GLU . 18791 1 251 676 VAL . 18791 1 252 677 GLU . 18791 1 253 678 THR . 18791 1 254 679 SER . 18791 1 255 680 LEU . 18791 1 256 681 SER . 18791 1 257 682 ARG . 18791 1 258 683 PHE . 18791 1 259 684 GLU . 18791 1 260 685 GLN . 18791 1 261 686 ASN . 18791 1 262 687 GLY . 18791 1 263 688 ILE . 18791 1 264 689 PRO . 18791 1 265 690 VAL . 18791 1 266 691 LYS . 18791 1 267 692 GLY . 18791 1 268 693 VAL . 18791 1 269 694 ILE . 18791 1 270 695 LEU . 18791 1 271 696 ASN . 18791 1 272 697 SER . 18791 1 273 698 ILE . 18791 1 274 699 PHE . 18791 1 275 700 ARG . 18791 1 276 701 ARG . 18791 1 277 702 ALA . 18791 1 278 703 SER . 18791 1 279 704 ALA . 18791 1 280 705 TYR . 18791 1 281 706 GLN . 18791 1 282 707 ASP . 18791 1 283 708 TYR . 18791 1 284 709 GLY . 18791 1 285 710 TYR . 18791 1 286 711 TYR . 18791 1 287 712 GLU . 18791 1 288 713 TYR . 18791 1 289 714 GLU . 18791 1 290 715 TYR . 18791 1 291 716 LYS . 18791 1 292 717 SER . 18791 1 293 718 ASP . 18791 1 294 719 ALA . 18791 1 295 720 LYS . 18791 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 . MET 1 1 18791 1 . GLY 2 2 18791 1 . SER 3 3 18791 1 . SER 4 4 18791 1 . HIS 5 5 18791 1 . HIS 6 6 18791 1 . HIS 7 7 18791 1 . HIS 8 8 18791 1 . HIS 9 9 18791 1 . HIS 10 10 18791 1 . SER 11 11 18791 1 . SER 12 12 18791 1 . GLY 13 13 18791 1 . LEU 14 14 18791 1 . VAL 15 15 18791 1 . PRO 16 16 18791 1 . ARG 17 17 18791 1 . GLY 18 18 18791 1 . SER 19 19 18791 1 . HIS 20 20 18791 1 . MET 21 21 18791 1 . SER 22 22 18791 1 . LEU 23 23 18791 1 . PHE 24 24 18791 1 . ASN 25 25 18791 1 . ARG 26 26 18791 1 . GLY 27 27 18791 1 . ILE 28 28 18791 1 . GLU 29 29 18791 1 . SER 30 30 18791 1 . PRO 31 31 18791 1 . GLN 32 32 18791 1 . VAL 33 33 18791 1 . LEU 34 34 18791 1 . GLU 35 35 18791 1 . GLU 36 36 18791 1 . HIS 37 37 18791 1 . GLY 38 38 18791 1 . ILE 39 39 18791 1 . SER 40 40 18791 1 . VAL 41 41 18791 1 . TYR 42 42 18791 1 . ALA 43 43 18791 1 . SER 44 44 18791 1 . ILE 45 45 18791 1 . PRO 46 46 18791 1 . LEU 47 47 18791 1 . SER 48 48 18791 1 . GLU 49 49 18791 1 . TRP 50 50 18791 1 . GLN 51 51 18791 1 . LYS 52 52 18791 1 . ALA 53 53 18791 1 . ARG 54 54 18791 1 . ASP 55 55 18791 1 . SER 56 56 18791 1 . VAL 57 57 18791 1 . LYS 58 58 18791 1 . THR 59 59 18791 1 . ILE 60 60 18791 1 . LYS 61 61 18791 1 . GLY 62 62 18791 1 . ILE 63 63 18791 1 . LYS 64 64 18791 1 . ARG 65 65 18791 1 . TYR 66 66 18791 1 . LYS 67 67 18791 1 . GLN 68 68 18791 1 . SER 69 69 18791 1 . GLN 70 70 18791 1 . LEU 71 71 18791 1 . LEU 72 72 18791 1 . ALA 73 73 18791 1 . VAL 74 74 18791 1 . GLY 75 75 18791 1 . ASN 76 76 18791 1 . PRO 77 77 18791 1 . THR 78 78 18791 1 . ASP 79 79 18791 1 . LEU 80 80 18791 1 . ALA 81 81 18791 1 . ILE 82 82 18791 1 . GLU 83 83 18791 1 . ALA 84 84 18791 1 . ILE 85 85 18791 1 . ARG 86 86 18791 1 . SER 87 87 18791 1 . LEU 88 88 18791 1 . ARG 89 89 18791 1 . THR 90 90 18791 1 . SER 91 91 18791 1 . LEU 92 92 18791 1 . HIS 93 93 18791 1 . PHE 94 94 18791 1 . ALA 95 95 18791 1 . MET 96 96 18791 1 . MET 97 97 18791 1 . GLN 98 98 18791 1 . ALA 99 99 18791 1 . GLN 100 100 18791 1 . ASN 101 101 18791 1 . ASN 102 102 18791 1 . VAL 103 103 18791 1 . LEU 104 104 18791 1 . MET 105 105 18791 1 . MET 106 106 18791 1 . THR 107 107 18791 1 . GLY 108 108 18791 1 . VAL 109 109 18791 1 . SER 110 110 18791 1 . PRO 111 111 18791 1 . SER 112 112 18791 1 . ILE 113 113 18791 1 . GLY 114 114 18791 1 . LYS 115 115 18791 1 . THR 116 116 18791 1 . PHE 117 117 18791 1 . VAL 118 118 18791 1 . CYS 119 119 18791 1 . ALA 120 120 18791 1 . ASN 121 121 18791 1 . LEU 122 122 18791 1 . ALA 123 123 18791 1 . ALA 124 124 18791 1 . VAL 125 125 18791 1 . ILE 126 126 18791 1 . SER 127 127 18791 1 . GLN 128 128 18791 1 . THR 129 129 18791 1 . ASN 130 130 18791 1 . LYS 131 131 18791 1 . ARG 132 132 18791 1 . VAL 133 133 18791 1 . LEU 134 134 18791 1 . LEU 135 135 18791 1 . ILE 136 136 18791 1 . ASP 137 137 18791 1 . CYS 138 138 18791 1 . ASP 139 139 18791 1 . MET 140 140 18791 1 . ARG 141 141 18791 1 . LYS 142 142 18791 1 . GLY 143 143 18791 1 . TYR 144 144 18791 1 . THR 145 145 18791 1 . HIS 146 146 18791 1 . GLU 147 147 18791 1 . LEU 148 148 18791 1 . LEU 149 149 18791 1 . GLY 150 150 18791 1 . THR 151 151 18791 1 . ASN 152 152 18791 1 . ASN 153 153 18791 1 . VAL 154 154 18791 1 . ASN 155 155 18791 1 . GLY 156 156 18791 1 . LEU 157 157 18791 1 . SER 158 158 18791 1 . GLU 159 159 18791 1 . ILE 160 160 18791 1 . LEU 161 161 18791 1 . ILE 162 162 18791 1 . GLY 163 163 18791 1 . GLN 164 164 18791 1 . GLY 165 165 18791 1 . ASP 166 166 18791 1 . ILE 167 167 18791 1 . THR 168 168 18791 1 . THR 169 169 18791 1 . ALA 170 170 18791 1 . ALA 171 171 18791 1 . LYS 172 172 18791 1 . PRO 173 173 18791 1 . THR 174 174 18791 1 . SER 175 175 18791 1 . ILE 176 176 18791 1 . ALA 177 177 18791 1 . LYS 178 178 18791 1 . PHE 179 179 18791 1 . ASP 180 180 18791 1 . LEU 181 181 18791 1 . ILE 182 182 18791 1 . PRO 183 183 18791 1 . ARG 184 184 18791 1 . GLY 185 185 18791 1 . GLN 186 186 18791 1 . VAL 187 187 18791 1 . PRO 188 188 18791 1 . PRO 189 189 18791 1 . ASN 190 190 18791 1 . PRO 191 191 18791 1 . SER 192 192 18791 1 . GLU 193 193 18791 1 . LEU 194 194 18791 1 . LEU 195 195 18791 1 . MET 196 196 18791 1 . SER 197 197 18791 1 . GLU 198 198 18791 1 . ARG 199 199 18791 1 . PHE 200 200 18791 1 . ALA 201 201 18791 1 . GLU 202 202 18791 1 . LEU 203 203 18791 1 . VAL 204 204 18791 1 . ASN 205 205 18791 1 . TRP 206 206 18791 1 . ALA 207 207 18791 1 . SER 208 208 18791 1 . LYS 209 209 18791 1 . ASN 210 210 18791 1 . TYR 211 211 18791 1 . ASP 212 212 18791 1 . LEU 213 213 18791 1 . VAL 214 214 18791 1 . LEU 215 215 18791 1 . ILE 216 216 18791 1 . ASP 217 217 18791 1 . THR 218 218 18791 1 . PRO 219 219 18791 1 . PRO 220 220 18791 1 . ILE 221 221 18791 1 . LEU 222 222 18791 1 . ALA 223 223 18791 1 . VAL 224 224 18791 1 . THR 225 225 18791 1 . ASP 226 226 18791 1 . ALA 227 227 18791 1 . ALA 228 228 18791 1 . ILE 229 229 18791 1 . VAL 230 230 18791 1 . GLY 231 231 18791 1 . ARG 232 232 18791 1 . HIS 233 233 18791 1 . VAL 234 234 18791 1 . GLY 235 235 18791 1 . THR 236 236 18791 1 . THR 237 237 18791 1 . LEU 238 238 18791 1 . MET 239 239 18791 1 . VAL 240 240 18791 1 . ALA 241 241 18791 1 . ARG 242 242 18791 1 . TYR 243 243 18791 1 . ALA 244 244 18791 1 . VAL 245 245 18791 1 . ASN 246 246 18791 1 . THR 247 247 18791 1 . LEU 248 248 18791 1 . LYS 249 249 18791 1 . GLU 250 250 18791 1 . VAL 251 251 18791 1 . GLU 252 252 18791 1 . THR 253 253 18791 1 . SER 254 254 18791 1 . LEU 255 255 18791 1 . SER 256 256 18791 1 . ARG 257 257 18791 1 . PHE 258 258 18791 1 . GLU 259 259 18791 1 . GLN 260 260 18791 1 . ASN 261 261 18791 1 . GLY 262 262 18791 1 . ILE 263 263 18791 1 . PRO 264 264 18791 1 . VAL 265 265 18791 1 . LYS 266 266 18791 1 . GLY 267 267 18791 1 . VAL 268 268 18791 1 . ILE 269 269 18791 1 . LEU 270 270 18791 1 . ASN 271 271 18791 1 . SER 272 272 18791 1 . ILE 273 273 18791 1 . PHE 274 274 18791 1 . ARG 275 275 18791 1 . ARG 276 276 18791 1 . ALA 277 277 18791 1 . SER 278 278 18791 1 . ALA 279 279 18791 1 . TYR 280 280 18791 1 . GLN 281 281 18791 1 . ASP 282 282 18791 1 . TYR 283 283 18791 1 . GLY 284 284 18791 1 . TYR 285 285 18791 1 . TYR 286 286 18791 1 . GLU 287 287 18791 1 . TYR 288 288 18791 1 . GLU 289 289 18791 1 . TYR 290 290 18791 1 . LYS 291 291 18791 1 . SER 292 292 18791 1 . ASP 293 293 18791 1 . ALA 294 294 18791 1 . LYS 295 295 18791 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18791 _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 $WzcCD . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa K12 . . . . . . . . . . . . . . . . . . . . 18791 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 18791 _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 $WzcCD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 18791 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NMR_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode NMR_Sample_1 _Sample.Entry_ID 18791 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 WzcCD '[U-15N; U-2H]' . . 1 $WzcCD . . 300 . . uM . . . . 18791 1 2 D20 'natural abundance' . . . . . . 10 . . % . . . . 18791 1 3 H20 'natural abundance' . . . . . . 90 . . % . . . . 18791 1 4 'Sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18791 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18791 1 6 DTT 'natural abundance' . . . . . . 25 . . mM . . . . 18791 1 7 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 18791 1 stop_ save_ save_NMR_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode NMR_Sample_2 _Sample.Entry_ID 18791 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 WzcCD '[U-13C; U-15N; U-2H]' . . 1 $WzcCD . . 300 . . uM . . . . 18791 2 2 D20 'natural abundance' . . . . . . 10 . . % . . . . 18791 2 3 H20 'natural abundance' . . . . . . 90 . . % . . . . 18791 2 4 'Sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18791 2 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18791 2 6 DTT 'natural abundance' . . . . . . 25 . . mM . . . . 18791 2 7 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 18791 2 stop_ save_ ####################### # Sample conditions # ####################### save_NMR _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode NMR _Sample_condition_list.Entry_ID 18791 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 18791 1 pH 6.0 . pH 18791 1 pressure 1 . atm 18791 1 temperature 298 . K 18791 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18791 _Software.ID 1 _Software.Name NMRView _Software.Version 8.2.23 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18791 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18791 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18791 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18791 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Equipped with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18791 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 'Equipped with CryoProbe' . . 18791 1 2 spectrometer_2 Bruker Avance . 600 'Equipped with CryoProbe' . . 18791 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 18791 _Experiment_list.ID 1 _Experiment_list.Details 'All Backbone experiments were TROSY based' 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 HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $NMR_Sample_2 isotropic . . 1 $NMR . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18791 1 2 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $NMR_Sample_2 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18791 1 3 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $NMR_Sample_2 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18791 1 4 '3D TROSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $NMR_Sample_1 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18791 1 5 '3D HNCOCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $NMR_Sample_2 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18791 1 6 '3D HNCOCA' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $NMR_Sample_2 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18791 1 7 '3D HNCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $NMR_Sample_2 isotropic . . 1 $NMR . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18791 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18791 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Software_label $NMRView _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_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18791 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.75 na indirect 0.25144954 . . . . . . . . . 18791 1 H 1 water protons . . . . ppm 4.75 na direct 1 . . . . . . . . . 18791 1 N 15 water protons . . . . ppm 4.75 na indirect 0.10132900 . . . . . . . . . 18791 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18791 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $NMR _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 18791 1 2 '3D HNCO' . . . 18791 1 3 '3D HNCA' . . . 18791 1 4 '3D TROSY' . . . 18791 1 5 '3D HNCOCACB' . . . 18791 1 6 '3D HNCOCA' . . . 18791 1 7 '3D HNCACO' . . . 18791 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 3 3 SER C C 13 174.5097 0.08 . 1 . . . . 428 SER C . 18791 1 2 . 1 1 4 4 SER H H 1 8.405 0.01 . 1 . . . . 429 SER H . 18791 1 3 . 1 1 4 4 SER N N 15 118.3959 0.06 . 1 . . . . 429 SER N . 18791 1 4 . 1 1 11 11 SER C C 13 174.6856 0.08 . 1 . . . . 436 SER C . 18791 1 5 . 1 1 11 11 SER CA C 13 58.0151 0.15 . 1 . . . . 436 SER CA . 18791 1 6 . 1 1 11 11 SER CB C 13 63.1648 0.41 . 1 . . . . 436 SER CB . 18791 1 7 . 1 1 12 12 SER H H 1 8.4603 0.01 . 1 . . . . 437 SER H . 18791 1 8 . 1 1 12 12 SER C C 13 175.0041 0.08 . 1 . . . . 437 SER C . 18791 1 9 . 1 1 12 12 SER CA C 13 58.2526 0.15 . 1 . . . . 437 SER CA . 18791 1 10 . 1 1 12 12 SER CB C 13 63.2412 0.41 . 1 . . . . 437 SER CB . 18791 1 11 . 1 1 12 12 SER N N 15 118.6552 0.06 . 1 . . . . 437 SER N . 18791 1 12 . 1 1 13 13 GLY H H 1 8.3236 0.01 . 1 . . . . 438 GLY H . 18791 1 13 . 1 1 13 13 GLY C C 13 173.8582 0.08 . 1 . . . . 438 GLY C . 18791 1 14 . 1 1 13 13 GLY CA C 13 44.7695 0.15 . 1 . . . . 438 GLY CA . 18791 1 15 . 1 1 13 13 GLY N N 15 111.1404 0.06 . 1 . . . . 438 GLY N . 18791 1 16 . 1 1 14 14 LEU H H 1 7.9585 0.01 . 1 . . . . 439 LEU H . 18791 1 17 . 1 1 14 14 LEU C C 13 177.0764 0.08 . 1 . . . . 439 LEU C . 18791 1 18 . 1 1 14 14 LEU CA C 13 54.7573 0.15 . 1 . . . . 439 LEU CA . 18791 1 19 . 1 1 14 14 LEU CB C 13 41.3075 0.41 . 1 . . . . 439 LEU CB . 18791 1 20 . 1 1 14 14 LEU N N 15 121.8622 0.06 . 1 . . . . 439 LEU N . 18791 1 21 . 1 1 15 15 VAL H H 1 7.9055 0.01 . 1 . . . . 440 VAL H . 18791 1 22 . 1 1 15 15 VAL C C 13 174.252 0.08 . 1 . . . . 440 VAL C . 18791 1 23 . 1 1 15 15 VAL CB C 13 31.6726 0.41 . 1 . . . . 440 VAL CB . 18791 1 24 . 1 1 15 15 VAL N N 15 121.783 0.06 . 1 . . . . 440 VAL N . 18791 1 25 . 1 1 16 16 PRO C C 13 176.9118 0.08 . 1 . . . . 441 PRO C . 18791 1 26 . 1 1 16 16 PRO CA C 13 62.6889 0.15 . 1 . . . . 441 PRO CA . 18791 1 27 . 1 1 16 16 PRO CB C 13 31.1096 0.41 . 1 . . . . 441 PRO CB . 18791 1 28 . 1 1 17 17 ARG H H 1 8.4041 0.01 . 1 . . . . 442 ARG H . 18791 1 29 . 1 1 17 17 ARG C C 13 177.0935 0.08 . 1 . . . . 442 ARG C . 18791 1 30 . 1 1 17 17 ARG CA C 13 55.9385 0.15 . 1 . . . . 442 ARG CA . 18791 1 31 . 1 1 17 17 ARG CB C 13 29.7125 0.41 . 1 . . . . 442 ARG CB . 18791 1 32 . 1 1 17 17 ARG N N 15 122.5835 0.06 . 1 . . . . 442 ARG N . 18791 1 33 . 1 1 18 18 GLY H H 1 8.4893 0.01 . 1 . . . . 443 GLY H . 18791 1 34 . 1 1 18 18 GLY C C 13 174.2019 0.08 . 1 . . . . 443 GLY C . 18791 1 35 . 1 1 18 18 GLY CA C 13 44.8164 0.15 . 1 . . . . 443 GLY CA . 18791 1 36 . 1 1 18 18 GLY N N 15 110.8819 0.06 . 1 . . . . 443 GLY N . 18791 1 37 . 1 1 19 19 SER H H 1 8.1054 0.01 . 1 . . . . 444 SER H . 18791 1 38 . 1 1 19 19 SER C C 13 174.1704 0.08 . 1 . . . . 444 SER C . 18791 1 39 . 1 1 19 19 SER CA C 13 57.9576 0.15 . 1 . . . . 444 SER CA . 18791 1 40 . 1 1 19 19 SER CB C 13 62.8882 0.41 . 1 . . . . 444 SER CB . 18791 1 41 . 1 1 19 19 SER N N 15 116.0577 0.06 . 1 . . . . 444 SER N . 18791 1 42 . 1 1 20 20 HIS H H 1 8.3884 0.01 . 1 . . . . 445 HIS H . 18791 1 43 . 1 1 20 20 HIS C C 13 174.8395 0.08 . 1 . . . . 445 HIS C . 18791 1 44 . 1 1 20 20 HIS CB C 13 28.3641 0.41 . 1 . . . . 445 HIS CB . 18791 1 45 . 1 1 20 20 HIS N N 15 120.5812 0.06 . 1 . . . . 445 HIS N . 18791 1 46 . 1 1 21 21 MET H H 1 8.2613 0.01 . 1 . . . . 446 MET H . 18791 1 47 . 1 1 21 21 MET C C 13 176.3412 0.08 . 1 . . . . 446 MET C . 18791 1 48 . 1 1 21 21 MET CA C 13 55.3276 0.15 . 1 . . . . 446 MET CA . 18791 1 49 . 1 1 21 21 MET CB C 13 31.9312 0.41 . 1 . . . . 446 MET CB . 18791 1 50 . 1 1 21 21 MET N N 15 121.3422 0.06 . 1 . . . . 446 MET N . 18791 1 51 . 1 1 22 22 SER H H 1 8.3255 0.01 . 1 . . . . 447 SER H . 18791 1 52 . 1 1 22 22 SER C C 13 175.0839 0.08 . 1 . . . . 447 SER C . 18791 1 53 . 1 1 22 22 SER CA C 13 58.0401 0.15 . 1 . . . . 447 SER CA . 18791 1 54 . 1 1 22 22 SER CB C 13 63.0645 0.41 . 1 . . . . 447 SER CB . 18791 1 55 . 1 1 22 22 SER N N 15 117.8201 0.06 . 1 . . . . 447 SER N . 18791 1 56 . 1 1 23 23 LEU H H 1 8.2472 0.01 . 1 . . . . 448 LEU H . 18791 1 57 . 1 1 23 23 LEU C C 13 177.7864 0.08 . 1 . . . . 448 LEU C . 18791 1 58 . 1 1 23 23 LEU CA C 13 55.8213 0.15 . 1 . . . . 448 LEU CA . 18791 1 59 . 1 1 23 23 LEU CB C 13 40.9968 0.41 . 1 . . . . 448 LEU CB . 18791 1 60 . 1 1 23 23 LEU N N 15 124.1413 0.06 . 1 . . . . 448 LEU N . 18791 1 61 . 1 1 24 24 PHE H H 1 7.8937 0.01 . 1 . . . . 449 PHE H . 18791 1 62 . 1 1 24 24 PHE C C 13 175.2902 0.08 . 1 . . . . 449 PHE C . 18791 1 63 . 1 1 24 24 PHE CA C 13 58.3343 0.15 . 1 . . . . 449 PHE CA . 18791 1 64 . 1 1 24 24 PHE CB C 13 38.4055 0.41 . 1 . . . . 449 PHE CB . 18791 1 65 . 1 1 24 24 PHE N N 15 118.3245 0.06 . 1 . . . . 449 PHE N . 18791 1 66 . 1 1 25 25 ASN H H 1 7.9047 0.01 . 1 . . . . 450 ASN H . 18791 1 67 . 1 1 25 25 ASN C C 13 174.195 0.08 . 1 . . . . 450 ASN C . 18791 1 68 . 1 1 25 25 ASN CA C 13 52.4713 0.15 . 1 . . . . 450 ASN CA . 18791 1 69 . 1 1 25 25 ASN CB C 13 38.6161 0.41 . 1 . . . . 450 ASN CB . 18791 1 70 . 1 1 25 25 ASN N N 15 117.6496 0.06 . 1 . . . . 450 ASN N . 18791 1 71 . 1 1 26 26 ARG H H 1 7.5663 0.01 . 1 . . . . 451 ARG H . 18791 1 72 . 1 1 26 26 ARG C C 13 176.5059 0.08 . 1 . . . . 451 ARG C . 18791 1 73 . 1 1 26 26 ARG CA C 13 55.2052 0.15 . 1 . . . . 451 ARG CA . 18791 1 74 . 1 1 26 26 ARG CB C 13 30.2808 0.41 . 1 . . . . 451 ARG CB . 18791 1 75 . 1 1 26 26 ARG N N 15 120.1603 0.06 . 1 . . . . 451 ARG N . 18791 1 76 . 1 1 27 27 GLY H H 1 8.3333 0.01 . 1 . . . . 452 GLY H . 18791 1 77 . 1 1 27 27 GLY C C 13 173.8922 0.08 . 1 . . . . 452 GLY C . 18791 1 78 . 1 1 27 27 GLY CA C 13 43.9207 0.15 . 1 . . . . 452 GLY CA . 18791 1 79 . 1 1 27 27 GLY N N 15 110.1315 0.06 . 1 . . . . 452 GLY N . 18791 1 80 . 1 1 28 28 ILE H H 1 8.3838 0.01 . 1 . . . . 453 ILE H . 18791 1 81 . 1 1 28 28 ILE C C 13 176.8105 0.08 . 1 . . . . 453 ILE C . 18791 1 82 . 1 1 28 28 ILE CA C 13 62.3202 0.15 . 1 . . . . 453 ILE CA . 18791 1 83 . 1 1 28 28 ILE CB C 13 38.0885 0.41 . 1 . . . . 453 ILE CB . 18791 1 84 . 1 1 28 28 ILE N N 15 122.5508 0.06 . 1 . . . . 453 ILE N . 18791 1 85 . 1 1 29 29 GLU H H 1 8.6942 0.01 . 1 . . . . 454 GLU H . 18791 1 86 . 1 1 29 29 GLU C C 13 175.6215 0.08 . 1 . . . . 454 GLU C . 18791 1 87 . 1 1 29 29 GLU CA C 13 55.54 0.15 . 1 . . . . 454 GLU CA . 18791 1 88 . 1 1 29 29 GLU CB C 13 30.4286 0.41 . 1 . . . . 454 GLU CB . 18791 1 89 . 1 1 29 29 GLU N N 15 125.6704 0.06 . 1 . . . . 454 GLU N . 18791 1 90 . 1 1 30 30 SER H H 1 7.3535 0.01 . 1 . . . . 455 SER H . 18791 1 91 . 1 1 30 30 SER C C 13 172.7681 0.08 . 1 . . . . 455 SER C . 18791 1 92 . 1 1 30 30 SER CA C 13 55.1568 0.15 . 1 . . . . 455 SER CA . 18791 1 93 . 1 1 30 30 SER CB C 13 63.6477 0.41 . 1 . . . . 455 SER CB . 18791 1 94 . 1 1 30 30 SER N N 15 112.407 0.06 . 1 . . . . 455 SER N . 18791 1 95 . 1 1 31 31 PRO C C 13 177.558 0.08 . 1 . . . . 456 PRO C . 18791 1 96 . 1 1 31 31 PRO CA C 13 64.2983 0.15 . 1 . . . . 456 PRO CA . 18791 1 97 . 1 1 31 31 PRO CB C 13 31.0756 0.41 . 1 . . . . 456 PRO CB . 18791 1 98 . 1 1 32 32 GLN H H 1 7.9798 0.01 . 1 . . . . 457 GLN H . 18791 1 99 . 1 1 32 32 GLN C C 13 177.5834 0.08 . 1 . . . . 457 GLN C . 18791 1 100 . 1 1 32 32 GLN CA C 13 58.9969 0.15 . 1 . . . . 457 GLN CA . 18791 1 101 . 1 1 32 32 GLN CB C 13 27.1996 0.41 . 1 . . . . 457 GLN CB . 18791 1 102 . 1 1 32 32 GLN N N 15 117.9606 0.06 . 1 . . . . 457 GLN N . 18791 1 103 . 1 1 33 33 VAL H H 1 7.2872 0.01 . 1 . . . . 458 VAL H . 18791 1 104 . 1 1 33 33 VAL C C 13 178.0126 0.08 . 1 . . . . 458 VAL C . 18791 1 105 . 1 1 33 33 VAL CA C 13 64.7015 0.15 . 1 . . . . 458 VAL CA . 18791 1 106 . 1 1 33 33 VAL CB C 13 30.7704 0.41 . 1 . . . . 458 VAL CB . 18791 1 107 . 1 1 33 33 VAL N N 15 117.2095 0.06 . 1 . . . . 458 VAL N . 18791 1 108 . 1 1 34 34 LEU H H 1 6.7175 0.01 . 1 . . . . 459 LEU H . 18791 1 109 . 1 1 34 34 LEU C C 13 178.9184 0.08 . 1 . . . . 459 LEU C . 18791 1 110 . 1 1 34 34 LEU CA C 13 57.6893 0.15 . 1 . . . . 459 LEU CA . 18791 1 111 . 1 1 34 34 LEU CB C 13 38.0602 0.41 . 1 . . . . 459 LEU CB . 18791 1 112 . 1 1 34 34 LEU N N 15 119.6235 0.06 . 1 . . . . 459 LEU N . 18791 1 113 . 1 1 35 35 GLU H H 1 7.9275 0.01 . 1 . . . . 460 GLU H . 18791 1 114 . 1 1 35 35 GLU C C 13 181.6893 0.08 . 1 . . . . 460 GLU C . 18791 1 115 . 1 1 35 35 GLU CA C 13 59.0233 0.15 . 1 . . . . 460 GLU CA . 18791 1 116 . 1 1 35 35 GLU N N 15 121.9432 0.06 . 1 . . . . 460 GLU N . 18791 1 117 . 1 1 36 36 GLU H H 1 8.6242 0.01 . 1 . . . . 461 GLU H . 18791 1 118 . 1 1 36 36 GLU C C 13 177.3396 0.08 . 1 . . . . 461 GLU C . 18791 1 119 . 1 1 36 36 GLU CA C 13 57.8148 0.15 . 1 . . . . 461 GLU CA . 18791 1 120 . 1 1 36 36 GLU CB C 13 28.2312 0.41 . 1 . . . . 461 GLU CB . 18791 1 121 . 1 1 36 36 GLU N N 15 119.9545 0.06 . 1 . . . . 461 GLU N . 18791 1 122 . 1 1 37 37 HIS H H 1 7.5117 0.01 . 1 . . . . 462 HIS H . 18791 1 123 . 1 1 37 37 HIS C C 13 173.878 0.08 . 1 . . . . 462 HIS C . 18791 1 124 . 1 1 37 37 HIS CA C 13 55.5978 0.15 . 1 . . . . 462 HIS CA . 18791 1 125 . 1 1 37 37 HIS CB C 13 27.9774 0.41 . 1 . . . . 462 HIS CB . 18791 1 126 . 1 1 37 37 HIS N N 15 116.4548 0.06 . 1 . . . . 462 HIS N . 18791 1 127 . 1 1 38 38 GLY H H 1 7.7877 0.01 . 1 . . . . 463 GLY H . 18791 1 128 . 1 1 38 38 GLY C C 13 173.7841 0.08 . 1 . . . . 463 GLY C . 18791 1 129 . 1 1 38 38 GLY CA C 13 45.7034 0.15 . 1 . . . . 463 GLY CA . 18791 1 130 . 1 1 38 38 GLY N N 15 107.7519 0.06 . 1 . . . . 463 GLY N . 18791 1 131 . 1 1 39 39 ILE H H 1 7.7644 0.01 . 1 . . . . 464 ILE H . 18791 1 132 . 1 1 39 39 ILE C C 13 173.8456 0.08 . 1 . . . . 464 ILE C . 18791 1 133 . 1 1 39 39 ILE CA C 13 59.8296 0.15 . 1 . . . . 464 ILE CA . 18791 1 134 . 1 1 39 39 ILE CB C 13 38.0355 0.41 . 1 . . . . 464 ILE CB . 18791 1 135 . 1 1 39 39 ILE N N 15 124.092 0.06 . 1 . . . . 464 ILE N . 18791 1 136 . 1 1 40 40 SER H H 1 8.4496 0.01 . 1 . . . . 465 SER H . 18791 1 137 . 1 1 40 40 SER C C 13 173.8345 0.08 . 1 . . . . 465 SER C . 18791 1 138 . 1 1 40 40 SER CA C 13 58.6826 0.15 . 1 . . . . 465 SER CA . 18791 1 139 . 1 1 40 40 SER CB C 13 63.3396 0.41 . 1 . . . . 465 SER CB . 18791 1 140 . 1 1 40 40 SER N N 15 121.3572 0.06 . 1 . . . . 465 SER N . 18791 1 141 . 1 1 41 41 VAL H H 1 8.7957 0.01 . 1 . . . . 466 VAL H . 18791 1 142 . 1 1 41 41 VAL C C 13 176.5058 0.08 . 1 . . . . 466 VAL C . 18791 1 143 . 1 1 41 41 VAL CA C 13 60.9852 0.15 . 1 . . . . 466 VAL CA . 18791 1 144 . 1 1 41 41 VAL CB C 13 30.3895 0.41 . 1 . . . . 466 VAL CB . 18791 1 145 . 1 1 41 41 VAL N N 15 127.7908 0.06 . 1 . . . . 466 VAL N . 18791 1 146 . 1 1 42 42 TYR H H 1 9.1242 0.01 . 1 . . . . 467 TYR H . 18791 1 147 . 1 1 42 42 TYR C C 13 175.6446 0.08 . 1 . . . . 467 TYR C . 18791 1 148 . 1 1 42 42 TYR CA C 13 59.802 0.15 . 1 . . . . 467 TYR CA . 18791 1 149 . 1 1 42 42 TYR CB C 13 39.8655 0.41 . 1 . . . . 467 TYR CB . 18791 1 150 . 1 1 42 42 TYR N N 15 129.7972 0.06 . 1 . . . . 467 TYR N . 18791 1 151 . 1 1 43 43 ALA H H 1 7.2956 0.01 . 1 . . . . 468 ALA H . 18791 1 152 . 1 1 43 43 ALA C C 13 174.4651 0.08 . 1 . . . . 468 ALA C . 18791 1 153 . 1 1 43 43 ALA CA C 13 51.9177 0.15 . 1 . . . . 468 ALA CA . 18791 1 154 . 1 1 43 43 ALA CB C 13 22.4062 0.41 . 1 . . . . 468 ALA CB . 18791 1 155 . 1 1 43 43 ALA N N 15 115.2208 0.06 . 1 . . . . 468 ALA N . 18791 1 156 . 1 1 44 44 SER H H 1 8.2597 0.01 . 1 . . . . 469 SER H . 18791 1 157 . 1 1 44 44 SER C C 13 173.2058 0.08 . 1 . . . . 469 SER C . 18791 1 158 . 1 1 44 44 SER CA C 13 57.1767 0.15 . 1 . . . . 469 SER CA . 18791 1 159 . 1 1 44 44 SER CB C 13 63.8734 0.41 . 1 . . . . 469 SER CB . 18791 1 160 . 1 1 44 44 SER N N 15 118.5177 0.06 . 1 . . . . 469 SER N . 18791 1 161 . 1 1 45 45 ILE H H 1 9.1215 0.01 . 1 . . . . 470 ILE H . 18791 1 162 . 1 1 45 45 ILE CA C 13 56.869 0.15 . 1 . . . . 470 ILE CA . 18791 1 163 . 1 1 45 45 ILE N N 15 125.9832 0.06 . 1 . . . . 470 ILE N . 18791 1 164 . 1 1 48 48 SER C C 13 176.1447 0.08 . 1 . . . . 473 SER C . 18791 1 165 . 1 1 48 48 SER CA C 13 56.489 0.15 . 1 . . . . 473 SER CA . 18791 1 166 . 1 1 48 48 SER CB C 13 61.8937 0.41 . 1 . . . . 473 SER CB . 18791 1 167 . 1 1 49 49 GLU H H 1 9.0238 0.01 . 1 . . . . 474 GLU H . 18791 1 168 . 1 1 49 49 GLU C C 13 179.1136 0.08 . 1 . . . . 474 GLU C . 18791 1 169 . 1 1 49 49 GLU CA C 13 59.3349 0.15 . 1 . . . . 474 GLU CA . 18791 1 170 . 1 1 49 49 GLU CB C 13 28.1793 0.41 . 1 . . . . 474 GLU CB . 18791 1 171 . 1 1 49 49 GLU N N 15 132.7102 0.06 . 1 . . . . 474 GLU N . 18791 1 172 . 1 1 50 50 TRP H H 1 8.8099 0.01 . 1 . . . . 475 TRP H . 18791 1 173 . 1 1 50 50 TRP C C 13 178.6238 0.08 . 1 . . . . 475 TRP C . 18791 1 174 . 1 1 50 50 TRP CA C 13 61.4287 0.15 . 1 . . . . 475 TRP CA . 18791 1 175 . 1 1 50 50 TRP CB C 13 29.9474 0.41 . 1 . . . . 475 TRP CB . 18791 1 176 . 1 1 50 50 TRP N N 15 124.1556 0.06 . 1 . . . . 475 TRP N . 18791 1 177 . 1 1 51 51 GLN H H 1 8.3482 0.01 . 1 . . . . 476 GLN H . 18791 1 178 . 1 1 51 51 GLN C C 13 177.5356 0.08 . 1 . . . . 476 GLN C . 18791 1 179 . 1 1 51 51 GLN CA C 13 58.0521 0.15 . 1 . . . . 476 GLN CA . 18791 1 180 . 1 1 51 51 GLN CB C 13 28.6122 0.41 . 1 . . . . 476 GLN CB . 18791 1 181 . 1 1 51 51 GLN N N 15 120.7483 0.06 . 1 . . . . 476 GLN N . 18791 1 182 . 1 1 52 52 LYS H H 1 8.1067 0.01 . 1 . . . . 477 LYS H . 18791 1 183 . 1 1 52 52 LYS C C 13 179.3158 0.08 . 1 . . . . 477 LYS C . 18791 1 184 . 1 1 52 52 LYS CA C 13 58.5782 0.15 . 1 . . . . 477 LYS CA . 18791 1 185 . 1 1 52 52 LYS CB C 13 31.7795 0.41 . 1 . . . . 477 LYS CB . 18791 1 186 . 1 1 52 52 LYS N N 15 119.704 0.06 . 1 . . . . 477 LYS N . 18791 1 187 . 1 1 55 55 ASP C C 13 177.3535 0.08 . 1 . . . . 480 ASP C . 18791 1 188 . 1 1 55 55 ASP CA C 13 55.5634 0.15 . 1 . . . . 480 ASP CA . 18791 1 189 . 1 1 55 55 ASP CB C 13 40.2574 0.41 . 1 . . . . 480 ASP CB . 18791 1 190 . 1 1 56 56 SER H H 1 7.6292 0.01 . 1 . . . . 481 SER H . 18791 1 191 . 1 1 56 56 SER C C 13 174.43 0.08 . 1 . . . . 481 SER C . 18791 1 192 . 1 1 56 56 SER CA C 13 59.0196 0.15 . 1 . . . . 481 SER CA . 18791 1 193 . 1 1 56 56 SER CB C 13 63.1435 0.41 . 1 . . . . 481 SER CB . 18791 1 194 . 1 1 56 56 SER N N 15 115.1296 0.06 . 1 . . . . 481 SER N . 18791 1 195 . 1 1 57 57 VAL H H 1 7.4889 0.01 . 1 . . . . 482 VAL H . 18791 1 196 . 1 1 57 57 VAL C C 13 175.9059 0.08 . 1 . . . . 482 VAL C . 18791 1 197 . 1 1 57 57 VAL CA C 13 61.8217 0.15 . 1 . . . . 482 VAL CA . 18791 1 198 . 1 1 57 57 VAL CB C 13 31.476 0.41 . 1 . . . . 482 VAL CB . 18791 1 199 . 1 1 57 57 VAL N N 15 121.31 0.06 . 1 . . . . 482 VAL N . 18791 1 200 . 1 1 58 58 LYS H H 1 8.0172 0.01 . 1 . . . . 483 LYS H . 18791 1 201 . 1 1 58 58 LYS C C 13 176.4773 0.08 . 1 . . . . 483 LYS C . 18791 1 202 . 1 1 58 58 LYS CA C 13 55.9539 0.15 . 1 . . . . 483 LYS CA . 18791 1 203 . 1 1 58 58 LYS CB C 13 32.1507 0.41 . 1 . . . . 483 LYS CB . 18791 1 204 . 1 1 58 58 LYS N N 15 124.6115 0.06 . 1 . . . . 483 LYS N . 18791 1 205 . 1 1 59 59 THR H H 1 8.0201 0.01 . 1 . . . . 484 THR H . 18791 1 206 . 1 1 59 59 THR C C 13 174.5399 0.08 . 1 . . . . 484 THR C . 18791 1 207 . 1 1 59 59 THR CA C 13 61.488 0.15 . 1 . . . . 484 THR CA . 18791 1 208 . 1 1 59 59 THR CB C 13 69.1166 0.41 . 1 . . . . 484 THR CB . 18791 1 209 . 1 1 59 59 THR N N 15 115.9466 0.06 . 1 . . . . 484 THR N . 18791 1 210 . 1 1 60 60 ILE H H 1 8.1182 0.01 . 1 . . . . 485 ILE H . 18791 1 211 . 1 1 60 60 ILE C C 13 176.1777 0.08 . 1 . . . . 485 ILE C . 18791 1 212 . 1 1 60 60 ILE CA C 13 60.821 0.15 . 1 . . . . 485 ILE CA . 18791 1 213 . 1 1 60 60 ILE CB C 13 37.864 0.41 . 1 . . . . 485 ILE CB . 18791 1 214 . 1 1 60 60 ILE N N 15 124.4236 0.06 . 1 . . . . 485 ILE N . 18791 1 215 . 1 1 61 61 LYS H H 1 8.476 0.01 . 1 . . . . 486 LYS H . 18791 1 216 . 1 1 61 61 LYS C C 13 176.9092 0.08 . 1 . . . . 486 LYS C . 18791 1 217 . 1 1 61 61 LYS CA C 13 56.4572 0.15 . 1 . . . . 486 LYS CA . 18791 1 218 . 1 1 61 61 LYS CB C 13 31.0462 0.41 . 1 . . . . 486 LYS CB . 18791 1 219 . 1 1 61 61 LYS N N 15 125.4899 0.06 . 1 . . . . 486 LYS N . 18791 1 220 . 1 1 62 62 GLY H H 1 8.2136 0.01 . 1 . . . . 487 GLY H . 18791 1 221 . 1 1 62 62 GLY C C 13 173.9472 0.08 . 1 . . . . 487 GLY C . 18791 1 222 . 1 1 62 62 GLY CA C 13 44.846 0.15 . 1 . . . . 487 GLY CA . 18791 1 223 . 1 1 62 62 GLY N N 15 108.781 0.06 . 1 . . . . 487 GLY N . 18791 1 224 . 1 1 63 63 ILE H H 1 7.6854 0.01 . 1 . . . . 488 ILE H . 18791 1 225 . 1 1 63 63 ILE C C 13 176.0121 0.08 . 1 . . . . 488 ILE C . 18791 1 226 . 1 1 63 63 ILE CA C 13 60.0801 0.15 . 1 . . . . 488 ILE CA . 18791 1 227 . 1 1 63 63 ILE CB C 13 37.771 0.41 . 1 . . . . 488 ILE CB . 18791 1 228 . 1 1 63 63 ILE N N 15 120.9699 0.06 . 1 . . . . 488 ILE N . 18791 1 229 . 1 1 64 64 LYS H H 1 8.3273 0.01 . 1 . . . . 489 LYS H . 18791 1 230 . 1 1 64 64 LYS C C 13 176.0063 0.08 . 1 . . . . 489 LYS C . 18791 1 231 . 1 1 64 64 LYS CA C 13 56.0501 0.15 . 1 . . . . 489 LYS CA . 18791 1 232 . 1 1 64 64 LYS CB C 13 31.8394 0.41 . 1 . . . . 489 LYS CB . 18791 1 233 . 1 1 64 64 LYS N N 15 126.26 0.06 . 1 . . . . 489 LYS N . 18791 1 234 . 1 1 65 65 ARG H H 1 8.1521 0.01 . 1 . . . . 490 ARG H . 18791 1 235 . 1 1 65 65 ARG C C 13 175.4434 0.08 . 1 . . . . 490 ARG C . 18791 1 236 . 1 1 65 65 ARG CA C 13 55.4305 0.15 . 1 . . . . 490 ARG CA . 18791 1 237 . 1 1 65 65 ARG CB C 13 30.0625 0.41 . 1 . . . . 490 ARG CB . 18791 1 238 . 1 1 65 65 ARG N N 15 122.8822 0.06 . 1 . . . . 490 ARG N . 18791 1 239 . 1 1 71 71 LEU C C 13 173.8435 0.08 . 1 . . . . 496 LEU C . 18791 1 240 . 1 1 72 72 LEU H H 1 9.2442 0.01 . 1 . . . . 497 LEU H . 18791 1 241 . 1 1 72 72 LEU N N 15 122.0352 0.06 . 1 . . . . 497 LEU N . 18791 1 242 . 1 1 75 75 GLY C C 13 173.7224 0.08 . 1 . . . . 500 GLY C . 18791 1 243 . 1 1 76 76 ASN H H 1 8.202 0.01 . 1 . . . . 501 ASN H . 18791 1 244 . 1 1 76 76 ASN N N 15 115.758 0.06 . 1 . . . . 501 ASN N . 18791 1 245 . 1 1 77 77 PRO C C 13 176.5044 0.08 . 1 . . . . 502 PRO C . 18791 1 246 . 1 1 77 77 PRO CA C 13 64.6044 0.15 . 1 . . . . 502 PRO CA . 18791 1 247 . 1 1 77 77 PRO CB C 13 31.4572 0.41 . 1 . . . . 502 PRO CB . 18791 1 248 . 1 1 78 78 THR H H 1 7.2632 0.01 . 1 . . . . 503 THR H . 18791 1 249 . 1 1 78 78 THR C C 13 174.3926 0.08 . 1 . . . . 503 THR C . 18791 1 250 . 1 1 78 78 THR CA C 13 60.4785 0.15 . 1 . . . . 503 THR CA . 18791 1 251 . 1 1 78 78 THR CB C 13 68.1677 0.41 . 1 . . . . 503 THR CB . 18791 1 252 . 1 1 78 78 THR N N 15 105.3564 0.06 . 1 . . . . 503 THR N . 18791 1 253 . 1 1 79 79 ASP H H 1 7.506 0.01 . 1 . . . . 504 ASP H . 18791 1 254 . 1 1 79 79 ASP C C 13 178.1371 0.08 . 1 . . . . 504 ASP C . 18791 1 255 . 1 1 79 79 ASP CA C 13 54.1904 0.15 . 1 . . . . 504 ASP CA . 18791 1 256 . 1 1 79 79 ASP CB C 13 43.6143 0.41 . 1 . . . . 504 ASP CB . 18791 1 257 . 1 1 79 79 ASP N N 15 124.4033 0.06 . 1 . . . . 504 ASP N . 18791 1 258 . 1 1 80 80 LEU H H 1 9.0405 0.01 . 1 . . . . 505 LEU H . 18791 1 259 . 1 1 80 80 LEU C C 13 180.6572 0.08 . 1 . . . . 505 LEU C . 18791 1 260 . 1 1 80 80 LEU CA C 13 57.8065 0.15 . 1 . . . . 505 LEU CA . 18791 1 261 . 1 1 80 80 LEU CB C 13 39.9201 0.41 . 1 . . . . 505 LEU CB . 18791 1 262 . 1 1 80 80 LEU N N 15 129.517 0.06 . 1 . . . . 505 LEU N . 18791 1 263 . 1 1 81 81 ALA H H 1 10.5733 0.01 . 1 . . . . 506 ALA H . 18791 1 264 . 1 1 81 81 ALA C C 13 180.0367 0.08 . 1 . . . . 506 ALA C . 18791 1 265 . 1 1 81 81 ALA CA C 13 55.1923 0.15 . 1 . . . . 506 ALA CA . 18791 1 266 . 1 1 81 81 ALA CB C 13 17.3381 0.41 . 1 . . . . 506 ALA CB . 18791 1 267 . 1 1 81 81 ALA N N 15 123.4882 0.06 . 1 . . . . 506 ALA N . 18791 1 268 . 1 1 82 82 ILE H H 1 7.1252 0.01 . 1 . . . . 507 ILE H . 18791 1 269 . 1 1 82 82 ILE C C 13 178.5653 0.08 . 1 . . . . 507 ILE C . 18791 1 270 . 1 1 82 82 ILE CA C 13 59.9007 0.15 . 1 . . . . 507 ILE CA . 18791 1 271 . 1 1 82 82 ILE CB C 13 40.4188 0.41 . 1 . . . . 507 ILE CB . 18791 1 272 . 1 1 82 82 ILE N N 15 116.4262 0.06 . 1 . . . . 507 ILE N . 18791 1 273 . 1 1 83 83 GLU C C 13 179.4272 0.08 . 1 . . . . 508 GLU C . 18791 1 274 . 1 1 83 83 GLU CA C 13 59.0247 0.15 . 1 . . . . 508 GLU CA . 18791 1 275 . 1 1 83 83 GLU CB C 13 27.8491 0.41 . 1 . . . . 508 GLU CB . 18791 1 276 . 1 1 84 84 ALA H H 1 7.6512 0.01 . 1 . . . . 509 ALA H . 18791 1 277 . 1 1 84 84 ALA C C 13 180.5805 0.08 . 1 . . . . 509 ALA C . 18791 1 278 . 1 1 84 84 ALA CA C 13 54.5772 0.15 . 1 . . . . 509 ALA CA . 18791 1 279 . 1 1 84 84 ALA CB C 13 18.8368 0.41 . 1 . . . . 509 ALA CB . 18791 1 280 . 1 1 84 84 ALA N N 15 121.3176 0.06 . 1 . . . . 509 ALA N . 18791 1 281 . 1 1 85 85 ILE H H 1 7.8135 0.01 . 1 . . . . 510 ILE H . 18791 1 282 . 1 1 85 85 ILE C C 13 177.5132 0.08 . 1 . . . . 510 ILE C . 18791 1 283 . 1 1 85 85 ILE CA C 13 64.7205 0.15 . 1 . . . . 510 ILE CA . 18791 1 284 . 1 1 85 85 ILE CB C 13 36.4114 0.41 . 1 . . . . 510 ILE CB . 18791 1 285 . 1 1 85 85 ILE N N 15 122.5385 0.06 . 1 . . . . 510 ILE N . 18791 1 286 . 1 1 86 86 ARG H H 1 8.8748 0.01 . 1 . . . . 511 ARG H . 18791 1 287 . 1 1 86 86 ARG C C 13 179.3989 0.08 . 1 . . . . 511 ARG C . 18791 1 288 . 1 1 86 86 ARG CA C 13 60.5755 0.15 . 1 . . . . 511 ARG CA . 18791 1 289 . 1 1 86 86 ARG CB C 13 28.3919 0.41 . 1 . . . . 511 ARG CB . 18791 1 290 . 1 1 86 86 ARG N N 15 123.1769 0.06 . 1 . . . . 511 ARG N . 18791 1 291 . 1 1 87 87 SER H H 1 7.7751 0.01 . 1 . . . . 512 SER H . 18791 1 292 . 1 1 87 87 SER C C 13 176.7887 0.08 . 1 . . . . 512 SER C . 18791 1 293 . 1 1 87 87 SER CA C 13 61.598 0.15 . 1 . . . . 512 SER CA . 18791 1 294 . 1 1 87 87 SER N N 15 116.9995 0.06 . 1 . . . . 512 SER N . 18791 1 295 . 1 1 88 88 LEU H H 1 7.7781 0.01 . 1 . . . . 513 LEU H . 18791 1 296 . 1 1 88 88 LEU C C 13 177.2902 0.08 . 1 . . . . 513 LEU C . 18791 1 297 . 1 1 88 88 LEU CA C 13 56.8552 0.15 . 1 . . . . 513 LEU CA . 18791 1 298 . 1 1 88 88 LEU CB C 13 39.8158 0.41 . 1 . . . . 513 LEU CB . 18791 1 299 . 1 1 88 88 LEU N N 15 124.8958 0.06 . 1 . . . . 513 LEU N . 18791 1 300 . 1 1 89 89 ARG H H 1 8.1853 0.01 . 1 . . . . 514 ARG H . 18791 1 301 . 1 1 89 89 ARG C C 13 178.4478 0.08 . 1 . . . . 514 ARG C . 18791 1 302 . 1 1 89 89 ARG CA C 13 59.722 0.15 . 1 . . . . 514 ARG CA . 18791 1 303 . 1 1 89 89 ARG CB C 13 27.6358 0.41 . 1 . . . . 514 ARG CB . 18791 1 304 . 1 1 89 89 ARG N N 15 120.0374 0.06 . 1 . . . . 514 ARG N . 18791 1 305 . 1 1 90 90 THR H H 1 7.7934 0.01 . 1 . . . . 515 THR H . 18791 1 306 . 1 1 90 90 THR C C 13 176.3074 0.08 . 1 . . . . 515 THR C . 18791 1 307 . 1 1 90 90 THR CA C 13 66.1195 0.15 . 1 . . . . 515 THR CA . 18791 1 308 . 1 1 90 90 THR CB C 13 67.9069 0.41 . 1 . . . . 515 THR CB . 18791 1 309 . 1 1 90 90 THR N N 15 117.647 0.06 . 1 . . . . 515 THR N . 18791 1 310 . 1 1 91 91 SER H H 1 8.1028 0.01 . 1 . . . . 516 SER H . 18791 1 311 . 1 1 91 91 SER C C 13 177.5424 0.08 . 1 . . . . 516 SER C . 18791 1 312 . 1 1 91 91 SER CA C 13 61.8468 0.15 . 1 . . . . 516 SER CA . 18791 1 313 . 1 1 91 91 SER N N 15 118.9864 0.06 . 1 . . . . 516 SER N . 18791 1 314 . 1 1 92 92 LEU H H 1 8.776 0.01 . 1 . . . . 517 LEU H . 18791 1 315 . 1 1 92 92 LEU C C 13 177.8674 0.08 . 1 . . . . 517 LEU C . 18791 1 316 . 1 1 92 92 LEU CA C 13 56.8337 0.15 . 1 . . . . 517 LEU CA . 18791 1 317 . 1 1 92 92 LEU CB C 13 41.2061 0.41 . 1 . . . . 517 LEU CB . 18791 1 318 . 1 1 92 92 LEU N N 15 122.8558 0.06 . 1 . . . . 517 LEU N . 18791 1 319 . 1 1 93 93 HIS H H 1 7.9315 0.01 . 1 . . . . 518 HIS H . 18791 1 320 . 1 1 93 93 HIS C C 13 177.3693 0.08 . 1 . . . . 518 HIS C . 18791 1 321 . 1 1 93 93 HIS CA C 13 59.1891 0.15 . 1 . . . . 518 HIS CA . 18791 1 322 . 1 1 93 93 HIS CB C 13 28.3145 0.41 . 1 . . . . 518 HIS CB . 18791 1 323 . 1 1 93 93 HIS N N 15 119.482 0.06 . 1 . . . . 518 HIS N . 18791 1 324 . 1 1 94 94 PHE H H 1 7.2802 0.01 . 1 . . . . 519 PHE H . 18791 1 325 . 1 1 94 94 PHE C C 13 177.0315 0.08 . 1 . . . . 519 PHE C . 18791 1 326 . 1 1 94 94 PHE CA C 13 60.7621 0.15 . 1 . . . . 519 PHE CA . 18791 1 327 . 1 1 94 94 PHE CB C 13 37.8849 0.41 . 1 . . . . 519 PHE CB . 18791 1 328 . 1 1 94 94 PHE N N 15 116.4852 0.06 . 1 . . . . 519 PHE N . 18791 1 329 . 1 1 95 95 ALA H H 1 7.9465 0.01 . 1 . . . . 520 ALA H . 18791 1 330 . 1 1 95 95 ALA C C 13 180.6903 0.08 . 1 . . . . 520 ALA C . 18791 1 331 . 1 1 95 95 ALA CA C 13 54.3494 0.15 . 1 . . . . 520 ALA CA . 18791 1 332 . 1 1 95 95 ALA CB C 13 17.2503 0.41 . 1 . . . . 520 ALA CB . 18791 1 333 . 1 1 95 95 ALA N N 15 122.132 0.06 . 1 . . . . 520 ALA N . 18791 1 334 . 1 1 96 96 MET H H 1 8.5762 0.01 . 1 . . . . 521 MET H . 18791 1 335 . 1 1 96 96 MET C C 13 178.3051 0.08 . 1 . . . . 521 MET C . 18791 1 336 . 1 1 96 96 MET CA C 13 57.9466 0.15 . 1 . . . . 521 MET CA . 18791 1 337 . 1 1 96 96 MET N N 15 116.7644 0.06 . 1 . . . . 521 MET N . 18791 1 338 . 1 1 97 97 MET H H 1 7.4615 0.01 . 1 . . . . 522 MET H . 18791 1 339 . 1 1 97 97 MET C C 13 178.5132 0.08 . 1 . . . . 522 MET C . 18791 1 340 . 1 1 97 97 MET CA C 13 57.9065 0.15 . 1 . . . . 522 MET CA . 18791 1 341 . 1 1 97 97 MET CB C 13 31.1973 0.41 . 1 . . . . 522 MET CB . 18791 1 342 . 1 1 97 97 MET N N 15 120.1343 0.06 . 1 . . . . 522 MET N . 18791 1 343 . 1 1 98 98 GLN H H 1 7.6735 0.01 . 1 . . . . 523 GLN H . 18791 1 344 . 1 1 98 98 GLN C C 13 176.5756 0.08 . 1 . . . . 523 GLN C . 18791 1 345 . 1 1 98 98 GLN CA C 13 56.3416 0.15 . 1 . . . . 523 GLN CA . 18791 1 346 . 1 1 98 98 GLN CB C 13 27.7148 0.41 . 1 . . . . 523 GLN CB . 18791 1 347 . 1 1 98 98 GLN N N 15 117.7601 0.06 . 1 . . . . 523 GLN N . 18791 1 348 . 1 1 99 99 ALA H H 1 7.3589 0.01 . 1 . . . . 524 ALA H . 18791 1 349 . 1 1 99 99 ALA C C 13 177.4769 0.08 . 1 . . . . 524 ALA C . 18791 1 350 . 1 1 99 99 ALA CA C 13 52.1423 0.15 . 1 . . . . 524 ALA CA . 18791 1 351 . 1 1 99 99 ALA CB C 13 18.9638 0.41 . 1 . . . . 524 ALA CB . 18791 1 352 . 1 1 99 99 ALA N N 15 120.9573 0.06 . 1 . . . . 524 ALA N . 18791 1 353 . 1 1 100 100 GLN H H 1 8.3688 0.01 . 1 . . . . 525 GLN H . 18791 1 354 . 1 1 100 100 GLN C C 13 175.1648 0.08 . 1 . . . . 525 GLN C . 18791 1 355 . 1 1 100 100 GLN CA C 13 56.3135 0.15 . 1 . . . . 525 GLN CA . 18791 1 356 . 1 1 100 100 GLN CB C 13 26.9572 0.41 . 1 . . . . 525 GLN CB . 18791 1 357 . 1 1 100 100 GLN N N 15 116.1878 0.06 . 1 . . . . 525 GLN N . 18791 1 358 . 1 1 101 101 ASN H H 1 7.1948 0.01 . 1 . . . . 526 ASN H . 18791 1 359 . 1 1 101 101 ASN C C 13 174.4054 0.08 . 1 . . . . 526 ASN C . 18791 1 360 . 1 1 101 101 ASN CA C 13 52.5326 0.15 . 1 . . . . 526 ASN CA . 18791 1 361 . 1 1 101 101 ASN CB C 13 39.9519 0.41 . 1 . . . . 526 ASN CB . 18791 1 362 . 1 1 101 101 ASN N N 15 112.797 0.06 . 1 . . . . 526 ASN N . 18791 1 363 . 1 1 102 102 ASN H H 1 8.337 0.01 . 1 . . . . 527 ASN H . 18791 1 364 . 1 1 102 102 ASN C C 13 172.9526 0.08 . 1 . . . . 527 ASN C . 18791 1 365 . 1 1 102 102 ASN CA C 13 52.1413 0.15 . 1 . . . . 527 ASN CA . 18791 1 366 . 1 1 102 102 ASN CB C 13 36.1001 0.41 . 1 . . . . 527 ASN CB . 18791 1 367 . 1 1 102 102 ASN N N 15 123.1867 0.06 . 1 . . . . 527 ASN N . 18791 1 368 . 1 1 103 103 VAL H H 1 8.2107 0.01 . 1 . . . . 528 VAL H . 18791 1 369 . 1 1 103 103 VAL C C 13 175.5275 0.08 . 1 . . . . 528 VAL C . 18791 1 370 . 1 1 103 103 VAL CA C 13 60.9762 0.15 . 1 . . . . 528 VAL CA . 18791 1 371 . 1 1 103 103 VAL N N 15 118.8895 0.06 . 1 . . . . 528 VAL N . 18791 1 372 . 1 1 104 104 LEU H H 1 9.3881 0.01 . 1 . . . . 529 LEU H . 18791 1 373 . 1 1 104 104 LEU C C 13 174.0099 0.08 . 1 . . . . 529 LEU C . 18791 1 374 . 1 1 104 104 LEU CA C 13 52.3011 0.15 . 1 . . . . 529 LEU CA . 18791 1 375 . 1 1 104 104 LEU CB C 13 44.6715 0.41 . 1 . . . . 529 LEU CB . 18791 1 376 . 1 1 104 104 LEU N N 15 135.125 0.06 . 1 . . . . 529 LEU N . 18791 1 377 . 1 1 105 105 MET H H 1 9.2872 0.01 . 1 . . . . 530 MET H . 18791 1 378 . 1 1 105 105 MET C C 13 173.4594 0.08 . 1 . . . . 530 MET C . 18791 1 379 . 1 1 105 105 MET CA C 13 53.6542 0.15 . 1 . . . . 530 MET CA . 18791 1 380 . 1 1 105 105 MET CB C 13 36.5099 0.41 . 1 . . . . 530 MET CB . 18791 1 381 . 1 1 105 105 MET N N 15 126.5323 0.06 . 1 . . . . 530 MET N . 18791 1 382 . 1 1 106 106 MET H H 1 8.9239 0.01 . 1 . . . . 531 MET H . 18791 1 383 . 1 1 106 106 MET C C 13 173.9528 0.08 . 1 . . . . 531 MET C . 18791 1 384 . 1 1 106 106 MET CA C 13 52.7806 0.15 . 1 . . . . 531 MET CA . 18791 1 385 . 1 1 106 106 MET CB C 13 33.4393 0.41 . 1 . . . . 531 MET CB . 18791 1 386 . 1 1 106 106 MET N N 15 126.7163 0.06 . 1 . . . . 531 MET N . 18791 1 387 . 1 1 107 107 THR H H 1 8.0526 0.01 . 1 . . . . 532 THR H . 18791 1 388 . 1 1 107 107 THR C C 13 172.679 0.08 . 1 . . . . 532 THR C . 18791 1 389 . 1 1 107 107 THR CA C 13 57.9752 0.15 . 1 . . . . 532 THR CA . 18791 1 390 . 1 1 107 107 THR CB C 13 70.2467 0.41 . 1 . . . . 532 THR CB . 18791 1 391 . 1 1 107 107 THR N N 15 119.4717 0.06 . 1 . . . . 532 THR N . 18791 1 392 . 1 1 108 108 GLY H H 1 8.0285 0.01 . 1 . . . . 533 GLY H . 18791 1 393 . 1 1 108 108 GLY C C 13 173.3315 0.08 . 1 . . . . 533 GLY C . 18791 1 394 . 1 1 108 108 GLY CA C 13 43.5734 0.15 . 1 . . . . 533 GLY CA . 18791 1 395 . 1 1 108 108 GLY N N 15 111.0372 0.06 . 1 . . . . 533 GLY N . 18791 1 396 . 1 1 109 109 VAL H H 1 8.0124 0.01 . 1 . . . . 534 VAL H . 18791 1 397 . 1 1 109 109 VAL C C 13 175.1903 0.08 . 1 . . . . 534 VAL C . 18791 1 398 . 1 1 109 109 VAL CA C 13 65.0253 0.15 . 1 . . . . 534 VAL CA . 18791 1 399 . 1 1 109 109 VAL CB C 13 31.868 0.41 . 1 . . . . 534 VAL CB . 18791 1 400 . 1 1 109 109 VAL N N 15 119.7096 0.06 . 1 . . . . 534 VAL N . 18791 1 401 . 1 1 110 110 SER H H 1 7.351 0.01 . 1 . . . . 535 SER H . 18791 1 402 . 1 1 110 110 SER C C 13 170.6563 0.08 . 1 . . . . 535 SER C . 18791 1 403 . 1 1 110 110 SER CA C 13 56.1365 0.15 . 1 . . . . 535 SER CA . 18791 1 404 . 1 1 110 110 SER CB C 13 62.3813 0.41 . 1 . . . . 535 SER CB . 18791 1 405 . 1 1 110 110 SER N N 15 111.5387 0.06 . 1 . . . . 535 SER N . 18791 1 406 . 1 1 111 111 PRO C C 13 175.9972 0.08 . 1 . . . . 536 PRO C . 18791 1 407 . 1 1 112 112 SER H H 1 9.7939 0.01 . 1 . . . . 537 SER H . 18791 1 408 . 1 1 112 112 SER N N 15 117.6357 0.06 . 1 . . . . 537 SER N . 18791 1 409 . 1 1 116 116 THR C C 13 176.1772 0.08 . 1 . . . . 541 THR C . 18791 1 410 . 1 1 116 116 THR CA C 13 68.0946 0.15 . 1 . . . . 541 THR CA . 18791 1 411 . 1 1 116 116 THR CB C 13 66.952 0.41 . 1 . . . . 541 THR CB . 18791 1 412 . 1 1 117 117 PHE H H 1 9.155 0.01 . 1 . . . . 542 PHE H . 18791 1 413 . 1 1 117 117 PHE C C 13 177.9766 0.08 . 1 . . . . 542 PHE C . 18791 1 414 . 1 1 117 117 PHE CA C 13 61.3171 0.15 . 1 . . . . 542 PHE CA . 18791 1 415 . 1 1 117 117 PHE CB C 13 37.8854 0.41 . 1 . . . . 542 PHE CB . 18791 1 416 . 1 1 117 117 PHE N N 15 125.54 0.06 . 1 . . . . 542 PHE N . 18791 1 417 . 1 1 118 118 VAL H H 1 8.9168 0.01 . 1 . . . . 543 VAL H . 18791 1 418 . 1 1 118 118 VAL C C 13 176.7487 0.08 . 1 . . . . 543 VAL C . 18791 1 419 . 1 1 118 118 VAL CA C 13 67.0613 0.15 . 1 . . . . 543 VAL CA . 18791 1 420 . 1 1 118 118 VAL CB C 13 30.3895 0.41 . 1 . . . . 543 VAL CB . 18791 1 421 . 1 1 118 118 VAL N N 15 120.6588 0.06 . 1 . . . . 543 VAL N . 18791 1 422 . 1 1 119 119 CYS H H 1 8.5161 0.01 . 1 . . . . 544 CYS H . 18791 1 423 . 1 1 119 119 CYS C C 13 176.0883 0.08 . 1 . . . . 544 CYS C . 18791 1 424 . 1 1 119 119 CYS CA C 13 63.6105 0.15 . 1 . . . . 544 CYS CA . 18791 1 425 . 1 1 119 119 CYS CB C 13 27.0265 0.41 . 1 . . . . 544 CYS CB . 18791 1 426 . 1 1 119 119 CYS N N 15 118.6124 0.06 . 1 . . . . 544 CYS N . 18791 1 427 . 1 1 120 120 ALA H H 1 9.1592 0.01 . 1 . . . . 545 ALA H . 18791 1 428 . 1 1 120 120 ALA C C 13 178.7522 0.08 . 1 . . . . 545 ALA C . 18791 1 429 . 1 1 120 120 ALA CA C 13 54.6787 0.15 . 1 . . . . 545 ALA CA . 18791 1 430 . 1 1 120 120 ALA CB C 13 17.1991 0.41 . 1 . . . . 545 ALA CB . 18791 1 431 . 1 1 120 120 ALA N N 15 118.748 0.06 . 1 . . . . 545 ALA N . 18791 1 432 . 1 1 121 121 ASN H H 1 7.073 0.01 . 1 . . . . 546 ASN H . 18791 1 433 . 1 1 121 121 ASN C C 13 176.8463 0.08 . 1 . . . . 546 ASN C . 18791 1 434 . 1 1 121 121 ASN CA C 13 57.1232 0.15 . 1 . . . . 546 ASN CA . 18791 1 435 . 1 1 121 121 ASN CB C 13 38.7047 0.41 . 1 . . . . 546 ASN CB . 18791 1 436 . 1 1 121 121 ASN N N 15 113.7804 0.06 . 1 . . . . 546 ASN N . 18791 1 437 . 1 1 122 122 LEU H H 1 8.5366 0.01 . 1 . . . . 547 LEU H . 18791 1 438 . 1 1 122 122 LEU C C 13 177.3348 0.08 . 1 . . . . 547 LEU C . 18791 1 439 . 1 1 122 122 LEU CA C 13 57.5839 0.15 . 1 . . . . 547 LEU CA . 18791 1 440 . 1 1 122 122 LEU CB C 13 40.4974 0.41 . 1 . . . . 547 LEU CB . 18791 1 441 . 1 1 122 122 LEU N N 15 121.872 0.06 . 1 . . . . 547 LEU N . 18791 1 442 . 1 1 123 123 ALA H H 1 7.9152 0.01 . 1 . . . . 548 ALA H . 18791 1 443 . 1 1 123 123 ALA C C 13 178.6293 0.08 . 1 . . . . 548 ALA C . 18791 1 444 . 1 1 123 123 ALA CA C 13 54.7898 0.15 . 1 . . . . 548 ALA CA . 18791 1 445 . 1 1 123 123 ALA CB C 13 16.6465 0.41 . 1 . . . . 548 ALA CB . 18791 1 446 . 1 1 123 123 ALA N N 15 120.7709 0.06 . 1 . . . . 548 ALA N . 18791 1 447 . 1 1 124 124 ALA H H 1 7.4402 0.01 . 1 . . . . 549 ALA H . 18791 1 448 . 1 1 124 124 ALA C C 13 180.2169 0.08 . 1 . . . . 549 ALA C . 18791 1 449 . 1 1 124 124 ALA CA C 13 54.7621 0.15 . 1 . . . . 549 ALA CA . 18791 1 450 . 1 1 124 124 ALA CB C 13 17.3538 0.41 . 1 . . . . 549 ALA CB . 18791 1 451 . 1 1 124 124 ALA N N 15 118.6382 0.06 . 1 . . . . 549 ALA N . 18791 1 452 . 1 1 125 125 VAL H H 1 8.0753 0.01 . 1 . . . . 550 VAL H . 18791 1 453 . 1 1 125 125 VAL C C 13 179.3216 0.08 . 1 . . . . 550 VAL C . 18791 1 454 . 1 1 125 125 VAL CA C 13 65.0478 0.15 . 1 . . . . 550 VAL CA . 18791 1 455 . 1 1 125 125 VAL CB C 13 30.2988 0.41 . 1 . . . . 550 VAL CB . 18791 1 456 . 1 1 125 125 VAL N N 15 116.3921 0.06 . 1 . . . . 550 VAL N . 18791 1 457 . 1 1 126 126 ILE H H 1 8.299 0.01 . 1 . . . . 551 ILE H . 18791 1 458 . 1 1 126 126 ILE C C 13 180.3222 0.08 . 1 . . . . 551 ILE C . 18791 1 459 . 1 1 126 126 ILE CA C 13 65.2449 0.15 . 1 . . . . 551 ILE CA . 18791 1 460 . 1 1 126 126 ILE CB C 13 36.5368 0.41 . 1 . . . . 551 ILE CB . 18791 1 461 . 1 1 126 126 ILE N N 15 122.8232 0.06 . 1 . . . . 551 ILE N . 18791 1 462 . 1 1 127 127 SER H H 1 8.5462 0.01 . 1 . . . . 552 SER H . 18791 1 463 . 1 1 127 127 SER C C 13 177.628 0.08 . 1 . . . . 552 SER C . 18791 1 464 . 1 1 127 127 SER CA C 13 61.8174 0.15 . 1 . . . . 552 SER CA . 18791 1 465 . 1 1 127 127 SER N N 15 122.5379 0.06 . 1 . . . . 552 SER N . 18791 1 466 . 1 1 128 128 GLN H H 1 7.4373 0.01 . 1 . . . . 553 GLN H . 18791 1 467 . 1 1 128 128 GLN C C 13 177.1176 0.08 . 1 . . . . 553 GLN C . 18791 1 468 . 1 1 128 128 GLN CA C 13 57.2593 0.15 . 1 . . . . 553 GLN CA . 18791 1 469 . 1 1 128 128 GLN CB C 13 27.2128 0.41 . 1 . . . . 553 GLN CB . 18791 1 470 . 1 1 128 128 GLN N N 15 121.3198 0.06 . 1 . . . . 553 GLN N . 18791 1 471 . 1 1 129 129 THR H H 1 7.7264 0.01 . 1 . . . . 554 THR H . 18791 1 472 . 1 1 129 129 THR C C 13 173.4095 0.08 . 1 . . . . 554 THR C . 18791 1 473 . 1 1 129 129 THR CA C 13 60.9461 0.15 . 1 . . . . 554 THR CA . 18791 1 474 . 1 1 129 129 THR CB C 13 68.9203 0.41 . 1 . . . . 554 THR CB . 18791 1 475 . 1 1 129 129 THR N N 15 111.2194 0.06 . 1 . . . . 554 THR N . 18791 1 476 . 1 1 130 130 ASN H H 1 8.1011 0.01 . 1 . . . . 555 ASN H . 18791 1 477 . 1 1 130 130 ASN C C 13 173.9576 0.08 . 1 . . . . 555 ASN C . 18791 1 478 . 1 1 130 130 ASN CA C 13 54.0691 0.15 . 1 . . . . 555 ASN CA . 18791 1 479 . 1 1 130 130 ASN CB C 13 35.7939 0.41 . 1 . . . . 555 ASN CB . 18791 1 480 . 1 1 130 130 ASN N N 15 116.876 0.06 . 1 . . . . 555 ASN N . 18791 1 481 . 1 1 131 131 LYS H H 1 6.7104 0.01 . 1 . . . . 556 LYS H . 18791 1 482 . 1 1 131 131 LYS C C 13 173.6854 0.08 . 1 . . . . 556 LYS C . 18791 1 483 . 1 1 131 131 LYS CA C 13 53.3851 0.15 . 1 . . . . 556 LYS CA . 18791 1 484 . 1 1 131 131 LYS CB C 13 33.6183 0.41 . 1 . . . . 556 LYS CB . 18791 1 485 . 1 1 131 131 LYS N N 15 118.6007 0.06 . 1 . . . . 556 LYS N . 18791 1 486 . 1 1 132 132 ARG H H 1 9.5298 0.01 . 1 . . . . 557 ARG H . 18791 1 487 . 1 1 132 132 ARG C C 13 176.6162 0.08 . 1 . . . . 557 ARG C . 18791 1 488 . 1 1 132 132 ARG CA C 13 55.264 0.15 . 1 . . . . 557 ARG CA . 18791 1 489 . 1 1 132 132 ARG CB C 13 30.1891 0.41 . 1 . . . . 557 ARG CB . 18791 1 490 . 1 1 132 132 ARG N N 15 121.1451 0.06 . 1 . . . . 557 ARG N . 18791 1 491 . 1 1 133 133 VAL H H 1 9.0529 0.01 . 1 . . . . 558 VAL H . 18791 1 492 . 1 1 133 133 VAL C C 13 171.9928 0.08 . 1 . . . . 558 VAL C . 18791 1 493 . 1 1 133 133 VAL CA C 13 59.3012 0.15 . 1 . . . . 558 VAL CA . 18791 1 494 . 1 1 133 133 VAL CB C 13 34.3859 0.41 . 1 . . . . 558 VAL CB . 18791 1 495 . 1 1 133 133 VAL N N 15 127.3646 0.06 . 1 . . . . 558 VAL N . 18791 1 496 . 1 1 138 138 CYS C C 13 175.3656 0.08 . 1 . . . . 563 CYS C . 18791 1 497 . 1 1 138 138 CYS CA C 13 57.8114 0.15 . 1 . . . . 563 CYS CA . 18791 1 498 . 1 1 138 138 CYS CB C 13 26.9793 0.41 . 1 . . . . 563 CYS CB . 18791 1 499 . 1 1 139 139 ASP H H 1 7.723 0.01 . 1 . . . . 564 ASP H . 18791 1 500 . 1 1 139 139 ASP C C 13 176.1729 0.08 . 1 . . . . 564 ASP C . 18791 1 501 . 1 1 139 139 ASP CA C 13 51.5569 0.15 . 1 . . . . 564 ASP CA . 18791 1 502 . 1 1 139 139 ASP CB C 13 39.1188 0.41 . 1 . . . . 564 ASP CB . 18791 1 503 . 1 1 139 139 ASP N N 15 119.7476 0.06 . 1 . . . . 564 ASP N . 18791 1 504 . 1 1 140 140 MET H H 1 8.4801 0.01 . 1 . . . . 565 MET H . 18791 1 505 . 1 1 140 140 MET C C 13 173.018 0.08 . 1 . . . . 565 MET C . 18791 1 506 . 1 1 140 140 MET CA C 13 57.3276 0.15 . 1 . . . . 565 MET CA . 18791 1 507 . 1 1 140 140 MET N N 15 120.3874 0.06 . 1 . . . . 565 MET N . 18791 1 508 . 1 1 141 141 ARG H H 1 7.7081 0.01 . 1 . . . . 566 ARG H . 18791 1 509 . 1 1 141 141 ARG C C 13 178.5797 0.08 . 1 . . . . 566 ARG C . 18791 1 510 . 1 1 141 141 ARG CA C 13 56.869 0.15 . 1 . . . . 566 ARG CA . 18791 1 511 . 1 1 141 141 ARG CB C 13 30.1356 0.41 . 1 . . . . 566 ARG CB . 18791 1 512 . 1 1 141 141 ARG N N 15 112.344 0.06 . 1 . . . . 566 ARG N . 18791 1 513 . 1 1 142 142 LYS H H 1 7.9808 0.01 . 1 . . . . 567 LYS H . 18791 1 514 . 1 1 142 142 LYS C C 13 177.3693 0.08 . 1 . . . . 567 LYS C . 18791 1 515 . 1 1 142 142 LYS CA C 13 54.5179 0.15 . 1 . . . . 567 LYS CA . 18791 1 516 . 1 1 142 142 LYS N N 15 115.957 0.06 . 1 . . . . 567 LYS N . 18791 1 517 . 1 1 143 143 GLY H H 1 8.0673 0.01 . 1 . . . . 568 GLY H . 18791 1 518 . 1 1 143 143 GLY C C 13 175.4165 0.08 . 1 . . . . 568 GLY C . 18791 1 519 . 1 1 143 143 GLY CA C 13 47.5282 0.15 . 1 . . . . 568 GLY CA . 18791 1 520 . 1 1 143 143 GLY N N 15 111.2451 0.06 . 1 . . . . 568 GLY N . 18791 1 521 . 1 1 144 144 TYR H H 1 9.2579 0.01 . 1 . . . . 569 TYR H . 18791 1 522 . 1 1 144 144 TYR C C 13 172.5687 0.08 . 1 . . . . 569 TYR C . 18791 1 523 . 1 1 144 144 TYR CA C 13 56.237 0.15 . 1 . . . . 569 TYR CA . 18791 1 524 . 1 1 144 144 TYR CB C 13 41.1525 0.41 . 1 . . . . 569 TYR CB . 18791 1 525 . 1 1 144 144 TYR N N 15 121.0325 0.06 . 1 . . . . 569 TYR N . 18791 1 526 . 1 1 145 145 THR C C 13 175.3498 0.08 . 1 . . . . 570 THR C . 18791 1 527 . 1 1 145 145 THR CA C 13 66.3025 0.15 . 1 . . . . 570 THR CA . 18791 1 528 . 1 1 145 145 THR CB C 13 67.206 0.41 . 1 . . . . 570 THR CB . 18791 1 529 . 1 1 146 146 HIS H H 1 8.2653 0.01 . 1 . . . . 571 HIS H . 18791 1 530 . 1 1 146 146 HIS C C 13 176.9057 0.08 . 1 . . . . 571 HIS C . 18791 1 531 . 1 1 146 146 HIS CA C 13 58.3879 0.15 . 1 . . . . 571 HIS CA . 18791 1 532 . 1 1 146 146 HIS CB C 13 27.5966 0.41 . 1 . . . . 571 HIS CB . 18791 1 533 . 1 1 146 146 HIS N N 15 117.9352 0.06 . 1 . . . . 571 HIS N . 18791 1 534 . 1 1 147 147 GLU H H 1 6.3205 0.01 . 1 . . . . 572 GLU H . 18791 1 535 . 1 1 147 147 GLU C C 13 179.055 0.08 . 1 . . . . 572 GLU C . 18791 1 536 . 1 1 147 147 GLU CA C 13 57.477 0.15 . 1 . . . . 572 GLU CA . 18791 1 537 . 1 1 147 147 GLU CB C 13 28.7391 0.41 . 1 . . . . 572 GLU CB . 18791 1 538 . 1 1 147 147 GLU N N 15 120.0436 0.06 . 1 . . . . 572 GLU N . 18791 1 539 . 1 1 148 148 LEU H H 1 7.0658 0.01 . 1 . . . . 573 LEU H . 18791 1 540 . 1 1 148 148 LEU C C 13 177.7654 0.08 . 1 . . . . 573 LEU C . 18791 1 541 . 1 1 148 148 LEU CA C 13 56.2626 0.15 . 1 . . . . 573 LEU CA . 18791 1 542 . 1 1 148 148 LEU CB C 13 42.2206 0.41 . 1 . . . . 573 LEU CB . 18791 1 543 . 1 1 148 148 LEU N N 15 119.4691 0.06 . 1 . . . . 573 LEU N . 18791 1 544 . 1 1 149 149 LEU H H 1 7.8646 0.01 . 1 . . . . 574 LEU H . 18791 1 545 . 1 1 149 149 LEU C C 13 176.8641 0.08 . 1 . . . . 574 LEU C . 18791 1 546 . 1 1 149 149 LEU CA C 13 53.5465 0.15 . 1 . . . . 574 LEU CA . 18791 1 547 . 1 1 149 149 LEU CB C 13 40.4044 0.41 . 1 . . . . 574 LEU CB . 18791 1 548 . 1 1 149 149 LEU N N 15 115.0035 0.06 . 1 . . . . 574 LEU N . 18791 1 549 . 1 1 150 150 GLY H H 1 7.459 0.01 . 1 . . . . 575 GLY H . 18791 1 550 . 1 1 150 150 GLY C C 13 175.1558 0.08 . 1 . . . . 575 GLY C . 18791 1 551 . 1 1 150 150 GLY CA C 13 46.6648 0.15 . 1 . . . . 575 GLY CA . 18791 1 552 . 1 1 150 150 GLY N N 15 109.1061 0.06 . 1 . . . . 575 GLY N . 18791 1 553 . 1 1 151 151 THR H H 1 8.3585 0.01 . 1 . . . . 576 THR H . 18791 1 554 . 1 1 151 151 THR C C 13 173.9592 0.08 . 1 . . . . 576 THR C . 18791 1 555 . 1 1 151 151 THR CA C 13 59.9618 0.15 . 1 . . . . 576 THR CA . 18791 1 556 . 1 1 151 151 THR CB C 13 70.1606 0.41 . 1 . . . . 576 THR CB . 18791 1 557 . 1 1 151 151 THR N N 15 112.3838 0.06 . 1 . . . . 576 THR N . 18791 1 558 . 1 1 152 152 ASN H H 1 8.2601 0.01 . 1 . . . . 577 ASN H . 18791 1 559 . 1 1 152 152 ASN C C 13 173.9061 0.08 . 1 . . . . 577 ASN C . 18791 1 560 . 1 1 152 152 ASN CA C 13 51.3532 0.15 . 1 . . . . 577 ASN CA . 18791 1 561 . 1 1 152 152 ASN CB C 13 37.702 0.41 . 1 . . . . 577 ASN CB . 18791 1 562 . 1 1 152 152 ASN N N 15 117.0145 0.06 . 1 . . . . 577 ASN N . 18791 1 563 . 1 1 153 153 ASN H H 1 8.3484 0.01 . 1 . . . . 578 ASN H . 18791 1 564 . 1 1 153 153 ASN C C 13 175.1614 0.08 . 1 . . . . 578 ASN C . 18791 1 565 . 1 1 153 153 ASN CA C 13 50.2413 0.15 . 1 . . . . 578 ASN CA . 18791 1 566 . 1 1 153 153 ASN CB C 13 38.3814 0.41 . 1 . . . . 578 ASN CB . 18791 1 567 . 1 1 153 153 ASN N N 15 116.8002 0.06 . 1 . . . . 578 ASN N . 18791 1 568 . 1 1 154 154 VAL H H 1 7.1776 0.01 . 1 . . . . 579 VAL H . 18791 1 569 . 1 1 154 154 VAL C C 13 176.138 0.08 . 1 . . . . 579 VAL C . 18791 1 570 . 1 1 154 154 VAL CA C 13 61.2613 0.15 . 1 . . . . 579 VAL CA . 18791 1 571 . 1 1 154 154 VAL CB C 13 31.4932 0.41 . 1 . . . . 579 VAL CB . 18791 1 572 . 1 1 154 154 VAL N N 15 120.4972 0.06 . 1 . . . . 579 VAL N . 18791 1 573 . 1 1 155 155 ASN H H 1 8.6871 0.01 . 1 . . . . 580 ASN H . 18791 1 574 . 1 1 155 155 ASN C C 13 174.6003 0.08 . 1 . . . . 580 ASN C . 18791 1 575 . 1 1 155 155 ASN CA C 13 54.3682 0.15 . 1 . . . . 580 ASN CA . 18791 1 576 . 1 1 155 155 ASN CB C 13 36.4875 0.41 . 1 . . . . 580 ASN CB . 18791 1 577 . 1 1 155 155 ASN N N 15 125.7898 0.06 . 1 . . . . 580 ASN N . 18791 1 578 . 1 1 156 156 GLY H H 1 8.0265 0.01 . 1 . . . . 581 GLY H . 18791 1 579 . 1 1 156 156 GLY C C 13 172.5509 0.08 . 1 . . . . 581 GLY C . 18791 1 580 . 1 1 156 156 GLY CA C 13 42.5135 0.15 . 1 . . . . 581 GLY CA . 18791 1 581 . 1 1 156 156 GLY N N 15 105.486 0.06 . 1 . . . . 581 GLY N . 18791 1 582 . 1 1 157 157 LEU H H 1 9.2631 0.01 . 1 . . . . 582 LEU H . 18791 1 583 . 1 1 157 157 LEU C C 13 178.4261 0.08 . 1 . . . . 582 LEU C . 18791 1 584 . 1 1 157 157 LEU CA C 13 57.9927 0.15 . 1 . . . . 582 LEU CA . 18791 1 585 . 1 1 157 157 LEU CB C 13 40.7808 0.41 . 1 . . . . 582 LEU CB . 18791 1 586 . 1 1 157 157 LEU N N 15 121.0332 0.06 . 1 . . . . 582 LEU N . 18791 1 587 . 1 1 158 158 SER H H 1 8.6711 0.01 . 1 . . . . 583 SER H . 18791 1 588 . 1 1 158 158 SER C C 13 171.992 0.08 . 1 . . . . 583 SER C . 18791 1 589 . 1 1 158 158 SER CA C 13 61.0733 0.15 . 1 . . . . 583 SER CA . 18791 1 590 . 1 1 158 158 SER N N 15 113.7545 0.06 . 1 . . . . 583 SER N . 18791 1 591 . 1 1 160 160 ILE C C 13 180.121 0.08 . 1 . . . . 585 ILE C . 18791 1 592 . 1 1 160 160 ILE CA C 13 63.7782 0.15 . 1 . . . . 585 ILE CA . 18791 1 593 . 1 1 160 160 ILE CB C 13 36.7372 0.41 . 1 . . . . 585 ILE CB . 18791 1 594 . 1 1 161 161 LEU H H 1 8.4588 0.01 . 1 . . . . 586 LEU H . 18791 1 595 . 1 1 161 161 LEU C C 13 177.8195 0.08 . 1 . . . . 586 LEU C . 18791 1 596 . 1 1 161 161 LEU CA C 13 56.9837 0.15 . 1 . . . . 586 LEU CA . 18791 1 597 . 1 1 161 161 LEU CB C 13 40.0131 0.41 . 1 . . . . 586 LEU CB . 18791 1 598 . 1 1 161 161 LEU N N 15 118.9315 0.06 . 1 . . . . 586 LEU N . 18791 1 599 . 1 1 162 162 ILE H H 1 7.6712 0.01 . 1 . . . . 587 ILE H . 18791 1 600 . 1 1 162 162 ILE C C 13 176.6977 0.08 . 1 . . . . 587 ILE C . 18791 1 601 . 1 1 162 162 ILE CA C 13 61.7842 0.15 . 1 . . . . 587 ILE CA . 18791 1 602 . 1 1 162 162 ILE CB C 13 38.022 0.41 . 1 . . . . 587 ILE CB . 18791 1 603 . 1 1 162 162 ILE N N 15 115.8058 0.06 . 1 . . . . 587 ILE N . 18791 1 604 . 1 1 163 163 GLY H H 1 7.4307 0.01 . 1 . . . . 588 GLY H . 18791 1 605 . 1 1 163 163 GLY C C 13 173.5096 0.08 . 1 . . . . 588 GLY C . 18791 1 606 . 1 1 163 163 GLY CA C 13 44.2197 0.15 . 1 . . . . 588 GLY CA . 18791 1 607 . 1 1 163 163 GLY N N 15 108.0069 0.06 . 1 . . . . 588 GLY N . 18791 1 608 . 1 1 164 164 GLN H H 1 7.9137 0.01 . 1 . . . . 589 GLN H . 18791 1 609 . 1 1 164 164 GLN C C 13 176.0382 0.08 . 1 . . . . 589 GLN C . 18791 1 610 . 1 1 164 164 GLN CA C 13 54.852 0.15 . 1 . . . . 589 GLN CA . 18791 1 611 . 1 1 164 164 GLN CB C 13 28.693 0.41 . 1 . . . . 589 GLN CB . 18791 1 612 . 1 1 164 164 GLN N N 15 118.8084 0.06 . 1 . . . . 589 GLN N . 18791 1 613 . 1 1 165 165 GLY H H 1 7.8147 0.01 . 1 . . . . 590 GLY H . 18791 1 614 . 1 1 165 165 GLY C C 13 172.4006 0.08 . 1 . . . . 590 GLY C . 18791 1 615 . 1 1 165 165 GLY CA C 13 43.8497 0.15 . 1 . . . . 590 GLY CA . 18791 1 616 . 1 1 165 165 GLY N N 15 108.3039 0.06 . 1 . . . . 590 GLY N . 18791 1 617 . 1 1 166 166 ASP H H 1 8.025 0.01 . 1 . . . . 591 ASP H . 18791 1 618 . 1 1 166 166 ASP C C 13 177.1817 0.08 . 1 . . . . 591 ASP C . 18791 1 619 . 1 1 166 166 ASP CA C 13 53.0633 0.15 . 1 . . . . 591 ASP CA . 18791 1 620 . 1 1 166 166 ASP CB C 13 41.466 0.41 . 1 . . . . 591 ASP CB . 18791 1 621 . 1 1 166 166 ASP N N 15 121.2325 0.06 . 1 . . . . 591 ASP N . 18791 1 622 . 1 1 167 167 ILE H H 1 8.2558 0.01 . 1 . . . . 592 ILE H . 18791 1 623 . 1 1 167 167 ILE C C 13 175.1822 0.08 . 1 . . . . 592 ILE C . 18791 1 624 . 1 1 167 167 ILE CA C 13 63.5313 0.15 . 1 . . . . 592 ILE CA . 18791 1 625 . 1 1 167 167 ILE CB C 13 37.5273 0.41 . 1 . . . . 592 ILE CB . 18791 1 626 . 1 1 167 167 ILE N N 15 125.421 0.06 . 1 . . . . 592 ILE N . 18791 1 627 . 1 1 168 168 THR H H 1 7.5686 0.01 . 1 . . . . 593 THR H . 18791 1 628 . 1 1 168 168 THR C C 13 176.0531 0.08 . 1 . . . . 593 THR C . 18791 1 629 . 1 1 168 168 THR CA C 13 62.9068 0.15 . 1 . . . . 593 THR CA . 18791 1 630 . 1 1 168 168 THR CB C 13 68.5968 0.41 . 1 . . . . 593 THR CB . 18791 1 631 . 1 1 168 168 THR N N 15 106.5572 0.06 . 1 . . . . 593 THR N . 18791 1 632 . 1 1 169 169 THR H H 1 6.8562 0.01 . 1 . . . . 594 THR H . 18791 1 633 . 1 1 169 169 THR C C 13 174.4634 0.08 . 1 . . . . 594 THR C . 18791 1 634 . 1 1 169 169 THR CA C 13 59.8472 0.15 . 1 . . . . 594 THR CA . 18791 1 635 . 1 1 169 169 THR CB C 13 68.2876 0.41 . 1 . . . . 594 THR CB . 18791 1 636 . 1 1 169 169 THR N N 15 110.5867 0.06 . 1 . . . . 594 THR N . 18791 1 637 . 1 1 170 170 ALA H H 1 7.1587 0.01 . 1 . . . . 595 ALA H . 18791 1 638 . 1 1 170 170 ALA C C 13 178.3439 0.08 . 1 . . . . 595 ALA C . 18791 1 639 . 1 1 170 170 ALA CA C 13 53.318 0.15 . 1 . . . . 595 ALA CA . 18791 1 640 . 1 1 170 170 ALA CB C 13 19.7187 0.41 . 1 . . . . 595 ALA CB . 18791 1 641 . 1 1 170 170 ALA N N 15 124.4612 0.06 . 1 . . . . 595 ALA N . 18791 1 642 . 1 1 171 171 ALA H H 1 8.122 0.01 . 1 . . . . 596 ALA H . 18791 1 643 . 1 1 171 171 ALA C C 13 177.3696 0.08 . 1 . . . . 596 ALA C . 18791 1 644 . 1 1 171 171 ALA CA C 13 52.5084 0.15 . 1 . . . . 596 ALA CA . 18791 1 645 . 1 1 171 171 ALA CB C 13 19.4572 0.41 . 1 . . . . 596 ALA CB . 18791 1 646 . 1 1 171 171 ALA N N 15 119.546 0.06 . 1 . . . . 596 ALA N . 18791 1 647 . 1 1 172 172 LYS H H 1 9.2334 0.01 . 1 . . . . 597 LYS H . 18791 1 648 . 1 1 172 172 LYS C C 13 173.7724 0.08 . 1 . . . . 597 LYS C . 18791 1 649 . 1 1 172 172 LYS CA C 13 52.7134 0.15 . 1 . . . . 597 LYS CA . 18791 1 650 . 1 1 172 172 LYS CB C 13 33.3932 0.41 . 1 . . . . 597 LYS CB . 18791 1 651 . 1 1 172 172 LYS N N 15 124.9096 0.06 . 1 . . . . 597 LYS N . 18791 1 652 . 1 1 173 173 PRO C C 13 177.8721 0.08 . 1 . . . . 598 PRO C . 18791 1 653 . 1 1 173 173 PRO CA C 13 62.3891 0.15 . 1 . . . . 598 PRO CA . 18791 1 654 . 1 1 173 173 PRO CB C 13 31.2459 0.41 . 1 . . . . 598 PRO CB . 18791 1 655 . 1 1 174 174 THR H H 1 8.088 0.01 . 1 . . . . 599 THR H . 18791 1 656 . 1 1 174 174 THR C C 13 175.1238 0.08 . 1 . . . . 599 THR C . 18791 1 657 . 1 1 174 174 THR CA C 13 61.1538 0.15 . 1 . . . . 599 THR CA . 18791 1 658 . 1 1 174 174 THR CB C 13 70.2528 0.41 . 1 . . . . 599 THR CB . 18791 1 659 . 1 1 174 174 THR N N 15 113.1273 0.06 . 1 . . . . 599 THR N . 18791 1 660 . 1 1 175 175 SER H H 1 8.1956 0.01 . 1 . . . . 600 SER H . 18791 1 661 . 1 1 175 175 SER CA C 13 59.1795 0.15 . 1 . . . . 600 SER CA . 18791 1 662 . 1 1 175 175 SER CB C 13 62.4516 0.41 . 1 . . . . 600 SER CB . 18791 1 663 . 1 1 175 175 SER N N 15 113.0832 0.06 . 1 . . . . 600 SER N . 18791 1 664 . 1 1 176 176 ILE C C 13 175.1302 0.08 . 1 . . . . 601 ILE C . 18791 1 665 . 1 1 176 176 ILE CA C 13 60.3902 0.15 . 1 . . . . 601 ILE CA . 18791 1 666 . 1 1 176 176 ILE CB C 13 37.6876 0.41 . 1 . . . . 601 ILE CB . 18791 1 667 . 1 1 177 177 ALA H H 1 8.403 0.01 . 1 . . . . 602 ALA H . 18791 1 668 . 1 1 177 177 ALA C C 13 177.3614 0.08 . 1 . . . . 602 ALA C . 18791 1 669 . 1 1 177 177 ALA CA C 13 53.3702 0.15 . 1 . . . . 602 ALA CA . 18791 1 670 . 1 1 177 177 ALA CB C 13 17.5442 0.41 . 1 . . . . 602 ALA CB . 18791 1 671 . 1 1 177 177 ALA N N 15 131.5839 0.06 . 1 . . . . 602 ALA N . 18791 1 672 . 1 1 178 178 LYS H H 1 8.3231 0.01 . 1 . . . . 603 LYS H . 18791 1 673 . 1 1 178 178 LYS C C 13 172.9357 0.08 . 1 . . . . 603 LYS C . 18791 1 674 . 1 1 178 178 LYS CA C 13 58.482 0.15 . 1 . . . . 603 LYS CA . 18791 1 675 . 1 1 178 178 LYS CB C 13 28.8596 0.41 . 1 . . . . 603 LYS CB . 18791 1 676 . 1 1 178 178 LYS N N 15 113.1183 0.06 . 1 . . . . 603 LYS N . 18791 1 677 . 1 1 179 179 PHE H H 1 7.575 0.01 . 1 . . . . 604 PHE H . 18791 1 678 . 1 1 179 179 PHE C C 13 174.2066 0.08 . 1 . . . . 604 PHE C . 18791 1 679 . 1 1 179 179 PHE CA C 13 53.0229 0.15 . 1 . . . . 604 PHE CA . 18791 1 680 . 1 1 179 179 PHE CB C 13 37.0694 0.41 . 1 . . . . 604 PHE CB . 18791 1 681 . 1 1 179 179 PHE N N 15 120.8532 0.06 . 1 . . . . 604 PHE N . 18791 1 682 . 1 1 183 183 PRO C C 13 175.3341 0.08 . 1 . . . . 608 PRO C . 18791 1 683 . 1 1 183 183 PRO CA C 13 61.5784 0.15 . 1 . . . . 608 PRO CA . 18791 1 684 . 1 1 183 183 PRO CB C 13 33.2241 0.41 . 1 . . . . 608 PRO CB . 18791 1 685 . 1 1 184 184 ARG H H 1 9.6029 0.01 . 1 . . . . 609 ARG H . 18791 1 686 . 1 1 184 184 ARG C C 13 177.7063 0.08 . 1 . . . . 609 ARG C . 18791 1 687 . 1 1 184 184 ARG CA C 13 58.7704 0.15 . 1 . . . . 609 ARG CA . 18791 1 688 . 1 1 184 184 ARG N N 15 116.3542 0.06 . 1 . . . . 609 ARG N . 18791 1 689 . 1 1 185 185 GLY H H 1 8.762 0.01 . 1 . . . . 610 GLY H . 18791 1 690 . 1 1 185 185 GLY C C 13 175.0106 0.08 . 1 . . . . 610 GLY C . 18791 1 691 . 1 1 185 185 GLY CA C 13 44.19 0.15 . 1 . . . . 610 GLY CA . 18791 1 692 . 1 1 185 185 GLY N N 15 108.9313 0.06 . 1 . . . . 610 GLY N . 18791 1 693 . 1 1 186 186 GLN H H 1 8.6544 0.01 . 1 . . . . 611 GLN H . 18791 1 694 . 1 1 186 186 GLN C C 13 176.9379 0.08 . 1 . . . . 611 GLN C . 18791 1 695 . 1 1 186 186 GLN CA C 13 55.4938 0.15 . 1 . . . . 611 GLN CA . 18791 1 696 . 1 1 186 186 GLN CB C 13 28.0938 0.41 . 1 . . . . 611 GLN CB . 18791 1 697 . 1 1 186 186 GLN N N 15 119.8287 0.06 . 1 . . . . 611 GLN N . 18791 1 698 . 1 1 187 187 VAL H H 1 8.1835 0.01 . 1 . . . . 612 VAL H . 18791 1 699 . 1 1 187 187 VAL C C 13 175.5366 0.08 . 1 . . . . 612 VAL C . 18791 1 700 . 1 1 187 187 VAL CA C 13 60.6149 0.15 . 1 . . . . 612 VAL CA . 18791 1 701 . 1 1 187 187 VAL CB C 13 31.6358 0.41 . 1 . . . . 612 VAL CB . 18791 1 702 . 1 1 187 187 VAL N N 15 124.3772 0.06 . 1 . . . . 612 VAL N . 18791 1 703 . 1 1 189 189 PRO C C 13 177.3569 0.08 . 1 . . . . 614 PRO C . 18791 1 704 . 1 1 190 190 ASN H H 1 8.2266 0.01 . 1 . . . . 615 ASN H . 18791 1 705 . 1 1 190 190 ASN N N 15 113.5066 0.06 . 1 . . . . 615 ASN N . 18791 1 706 . 1 1 191 191 PRO C C 13 177.4677 0.08 . 1 . . . . 616 PRO C . 18791 1 707 . 1 1 191 191 PRO CA C 13 65.8942 0.15 . 1 . . . . 616 PRO CA . 18791 1 708 . 1 1 191 191 PRO CB C 13 31.1535 0.41 . 1 . . . . 616 PRO CB . 18791 1 709 . 1 1 192 192 SER H H 1 7.7943 0.01 . 1 . . . . 617 SER H . 18791 1 710 . 1 1 192 192 SER C C 13 175.439 0.08 . 1 . . . . 617 SER C . 18791 1 711 . 1 1 192 192 SER CA C 13 61.5934 0.15 . 1 . . . . 617 SER CA . 18791 1 712 . 1 1 192 192 SER N N 15 110.2038 0.06 . 1 . . . . 617 SER N . 18791 1 713 . 1 1 193 193 GLU H H 1 7.0626 0.01 . 1 . . . . 618 GLU H . 18791 1 714 . 1 1 193 193 GLU C C 13 179.777 0.08 . 1 . . . . 618 GLU C . 18791 1 715 . 1 1 193 193 GLU CA C 13 58.4083 0.15 . 1 . . . . 618 GLU CA . 18791 1 716 . 1 1 193 193 GLU CB C 13 28.7757 0.41 . 1 . . . . 618 GLU CB . 18791 1 717 . 1 1 193 193 GLU N N 15 119.5729 0.06 . 1 . . . . 618 GLU N . 18791 1 718 . 1 1 194 194 LEU H H 1 7.2766 0.01 . 1 . . . . 619 LEU H . 18791 1 719 . 1 1 194 194 LEU C C 13 179.6005 0.08 . 1 . . . . 619 LEU C . 18791 1 720 . 1 1 194 194 LEU CA C 13 56.978 0.15 . 1 . . . . 619 LEU CA . 18791 1 721 . 1 1 194 194 LEU CB C 13 40.1486 0.41 . 1 . . . . 619 LEU CB . 18791 1 722 . 1 1 194 194 LEU N N 15 118.7657 0.06 . 1 . . . . 619 LEU N . 18791 1 723 . 1 1 195 195 LEU H H 1 7.5054 0.01 . 1 . . . . 620 LEU H . 18791 1 724 . 1 1 195 195 LEU C C 13 176.0829 0.08 . 1 . . . . 620 LEU C . 18791 1 725 . 1 1 195 195 LEU CA C 13 56.0415 0.15 . 1 . . . . 620 LEU CA . 18791 1 726 . 1 1 195 195 LEU CB C 13 40.6755 0.41 . 1 . . . . 620 LEU CB . 18791 1 727 . 1 1 195 195 LEU N N 15 118.5864 0.06 . 1 . . . . 620 LEU N . 18791 1 728 . 1 1 196 196 MET H H 1 7.1173 0.01 . 1 . . . . 621 MET H . 18791 1 729 . 1 1 196 196 MET C C 13 176.487 0.08 . 1 . . . . 621 MET C . 18791 1 730 . 1 1 196 196 MET CA C 13 55.3506 0.15 . 1 . . . . 621 MET CA . 18791 1 731 . 1 1 196 196 MET CB C 13 32.3002 0.41 . 1 . . . . 621 MET CB . 18791 1 732 . 1 1 196 196 MET N N 15 114.4576 0.06 . 1 . . . . 621 MET N . 18791 1 733 . 1 1 197 197 SER H H 1 7.3972 0.01 . 1 . . . . 622 SER H . 18791 1 734 . 1 1 197 197 SER C C 13 177.0656 0.08 . 1 . . . . 622 SER C . 18791 1 735 . 1 1 197 197 SER CA C 13 58.3546 0.15 . 1 . . . . 622 SER CA . 18791 1 736 . 1 1 197 197 SER CB C 13 64.4111 0.41 . 1 . . . . 622 SER CB . 18791 1 737 . 1 1 197 197 SER N N 15 115.169 0.06 . 1 . . . . 622 SER N . 18791 1 738 . 1 1 198 198 GLU H H 1 9.3163 0.01 . 1 . . . . 623 GLU H . 18791 1 739 . 1 1 198 198 GLU C C 13 178.234 0.08 . 1 . . . . 623 GLU C . 18791 1 740 . 1 1 198 198 GLU CA C 13 58.8105 0.15 . 1 . . . . 623 GLU CA . 18791 1 741 . 1 1 198 198 GLU CB C 13 28.1104 0.41 . 1 . . . . 623 GLU CB . 18791 1 742 . 1 1 198 198 GLU N N 15 128.1657 0.06 . 1 . . . . 623 GLU N . 18791 1 743 . 1 1 199 199 ARG H H 1 8.1404 0.01 . 1 . . . . 624 ARG H . 18791 1 744 . 1 1 199 199 ARG C C 13 177.7236 0.08 . 1 . . . . 624 ARG C . 18791 1 745 . 1 1 199 199 ARG CA C 13 58.1063 0.15 . 1 . . . . 624 ARG CA . 18791 1 746 . 1 1 199 199 ARG CB C 13 29.4984 0.41 . 1 . . . . 624 ARG CB . 18791 1 747 . 1 1 199 199 ARG N N 15 118.0483 0.06 . 1 . . . . 624 ARG N . 18791 1 748 . 1 1 200 200 PHE H H 1 7.7738 0.01 . 1 . . . . 625 PHE H . 18791 1 749 . 1 1 200 200 PHE C C 13 176.1175 0.08 . 1 . . . . 625 PHE C . 18791 1 750 . 1 1 200 200 PHE CA C 13 62.1662 0.15 . 1 . . . . 625 PHE CA . 18791 1 751 . 1 1 200 200 PHE CB C 13 37.468 0.41 . 1 . . . . 625 PHE CB . 18791 1 752 . 1 1 200 200 PHE N N 15 119.9957 0.06 . 1 . . . . 625 PHE N . 18791 1 753 . 1 1 201 201 ALA H H 1 7.0239 0.01 . 1 . . . . 626 ALA H . 18791 1 754 . 1 1 201 201 ALA C C 13 180.0464 0.08 . 1 . . . . 626 ALA C . 18791 1 755 . 1 1 201 201 ALA CA C 13 54.6005 0.15 . 1 . . . . 626 ALA CA . 18791 1 756 . 1 1 201 201 ALA CB C 13 17.0767 0.41 . 1 . . . . 626 ALA CB . 18791 1 757 . 1 1 201 201 ALA N N 15 120.6207 0.06 . 1 . . . . 626 ALA N . 18791 1 758 . 1 1 202 202 GLU H H 1 7.7431 0.01 . 1 . . . . 627 GLU H . 18791 1 759 . 1 1 202 202 GLU C C 13 179.1881 0.08 . 1 . . . . 627 GLU C . 18791 1 760 . 1 1 202 202 GLU CA C 13 58.7164 0.15 . 1 . . . . 627 GLU CA . 18791 1 761 . 1 1 202 202 GLU CB C 13 28.4623 0.41 . 1 . . . . 627 GLU CB . 18791 1 762 . 1 1 202 202 GLU N N 15 117.7079 0.06 . 1 . . . . 627 GLU N . 18791 1 763 . 1 1 204 204 VAL C C 13 177.2649 0.08 . 1 . . . . 629 VAL C . 18791 1 764 . 1 1 204 204 VAL CA C 13 67.0851 0.15 . 1 . . . . 629 VAL CA . 18791 1 765 . 1 1 204 204 VAL CB C 13 30.0172 0.41 . 1 . . . . 629 VAL CB . 18791 1 766 . 1 1 205 205 ASN H H 1 8.1285 0.01 . 1 . . . . 630 ASN H . 18791 1 767 . 1 1 205 205 ASN C C 13 177.6332 0.08 . 1 . . . . 630 ASN C . 18791 1 768 . 1 1 205 205 ASN CA C 13 55.8536 0.15 . 1 . . . . 630 ASN CA . 18791 1 769 . 1 1 205 205 ASN CB C 13 37.9511 0.41 . 1 . . . . 630 ASN CB . 18791 1 770 . 1 1 205 205 ASN N N 15 118.3882 0.06 . 1 . . . . 630 ASN N . 18791 1 771 . 1 1 206 206 TRP H H 1 8.1726 0.01 . 1 . . . . 631 TRP H . 18791 1 772 . 1 1 206 206 TRP C C 13 178.7426 0.08 . 1 . . . . 631 TRP C . 18791 1 773 . 1 1 206 206 TRP CA C 13 61.5461 0.15 . 1 . . . . 631 TRP CA . 18791 1 774 . 1 1 206 206 TRP CB C 13 27.3014 0.41 . 1 . . . . 631 TRP CB . 18791 1 775 . 1 1 206 206 TRP N N 15 121.5476 0.06 . 1 . . . . 631 TRP N . 18791 1 776 . 1 1 207 207 ALA C C 13 178.7451 0.08 . 1 . . . . 632 ALA C . 18791 1 777 . 1 1 207 207 ALA CA C 13 54.728 0.15 . 1 . . . . 632 ALA CA . 18791 1 778 . 1 1 207 207 ALA CB C 13 18.1453 0.41 . 1 . . . . 632 ALA CB . 18791 1 779 . 1 1 208 208 SER H H 1 8.4225 0.01 . 1 . . . . 633 SER H . 18791 1 780 . 1 1 208 208 SER C C 13 176.4367 0.08 . 1 . . . . 633 SER C . 18791 1 781 . 1 1 208 208 SER CA C 13 59.6072 0.15 . 1 . . . . 633 SER CA . 18791 1 782 . 1 1 208 208 SER CB C 13 62.7238 0.41 . 1 . . . . 633 SER CB . 18791 1 783 . 1 1 208 208 SER N N 15 110.9926 0.06 . 1 . . . . 633 SER N . 18791 1 784 . 1 1 209 209 LYS H H 1 7.0428 0.01 . 1 . . . . 634 LYS H . 18791 1 785 . 1 1 209 209 LYS C C 13 177.404 0.08 . 1 . . . . 634 LYS C . 18791 1 786 . 1 1 209 209 LYS CA C 13 56.7159 0.15 . 1 . . . . 634 LYS CA . 18791 1 787 . 1 1 209 209 LYS CB C 13 31.9256 0.41 . 1 . . . . 634 LYS CB . 18791 1 788 . 1 1 209 209 LYS N N 15 115.5194 0.06 . 1 . . . . 634 LYS N . 18791 1 789 . 1 1 210 210 ASN H H 1 7.1147 0.01 . 1 . . . . 635 ASN H . 18791 1 790 . 1 1 210 210 ASN C C 13 172.1118 0.08 . 1 . . . . 635 ASN C . 18791 1 791 . 1 1 210 210 ASN CA C 13 54.1337 0.15 . 1 . . . . 635 ASN CA . 18791 1 792 . 1 1 210 210 ASN CB C 13 40.238 0.41 . 1 . . . . 635 ASN CB . 18791 1 793 . 1 1 210 210 ASN N N 15 116.2975 0.06 . 1 . . . . 635 ASN N . 18791 1 794 . 1 1 211 211 TYR H H 1 7.3583 0.01 . 1 . . . . 636 TYR H . 18791 1 795 . 1 1 211 211 TYR C C 13 174.1088 0.08 . 1 . . . . 636 TYR C . 18791 1 796 . 1 1 211 211 TYR CA C 13 57.8025 0.15 . 1 . . . . 636 TYR CA . 18791 1 797 . 1 1 211 211 TYR CB C 13 39.4539 0.41 . 1 . . . . 636 TYR CB . 18791 1 798 . 1 1 211 211 TYR N N 15 118.9055 0.06 . 1 . . . . 636 TYR N . 18791 1 799 . 1 1 212 212 ASP H H 1 8.2887 0.01 . 1 . . . . 637 ASP H . 18791 1 800 . 1 1 212 212 ASP C C 13 174.0885 0.08 . 1 . . . . 637 ASP C . 18791 1 801 . 1 1 212 212 ASP CA C 13 57.3693 0.15 . 1 . . . . 637 ASP CA . 18791 1 802 . 1 1 212 212 ASP CB C 13 40.8786 0.41 . 1 . . . . 637 ASP CB . 18791 1 803 . 1 1 212 212 ASP N N 15 118.649 0.06 . 1 . . . . 637 ASP N . 18791 1 804 . 1 1 220 220 PRO C C 13 178.9157 0.08 . 1 . . . . 645 PRO C . 18791 1 805 . 1 1 220 220 PRO CA C 13 62.8567 0.15 . 1 . . . . 645 PRO CA . 18791 1 806 . 1 1 220 220 PRO CB C 13 31.786 0.41 . 1 . . . . 645 PRO CB . 18791 1 807 . 1 1 221 221 ILE H H 1 9.5134 0.01 . 1 . . . . 646 ILE H . 18791 1 808 . 1 1 221 221 ILE C C 13 176.4343 0.08 . 1 . . . . 646 ILE C . 18791 1 809 . 1 1 221 221 ILE CA C 13 59.62 0.15 . 1 . . . . 646 ILE CA . 18791 1 810 . 1 1 221 221 ILE CB C 13 37.1089 0.41 . 1 . . . . 646 ILE CB . 18791 1 811 . 1 1 221 221 ILE N N 15 130.4844 0.06 . 1 . . . . 646 ILE N . 18791 1 812 . 1 1 222 222 LEU H H 1 8.1452 0.01 . 1 . . . . 647 LEU H . 18791 1 813 . 1 1 222 222 LEU C C 13 177.3936 0.08 . 1 . . . . 647 LEU C . 18791 1 814 . 1 1 222 222 LEU CA C 13 55.4652 0.15 . 1 . . . . 647 LEU CA . 18791 1 815 . 1 1 222 222 LEU CB C 13 39.6783 0.41 . 1 . . . . 647 LEU CB . 18791 1 816 . 1 1 222 222 LEU N N 15 119.091 0.06 . 1 . . . . 647 LEU N . 18791 1 817 . 1 1 223 223 ALA H H 1 7.505 0.01 . 1 . . . . 648 ALA H . 18791 1 818 . 1 1 223 223 ALA C C 13 177.3196 0.08 . 1 . . . . 648 ALA C . 18791 1 819 . 1 1 223 223 ALA CA C 13 53.5161 0.15 . 1 . . . . 648 ALA CA . 18791 1 820 . 1 1 223 223 ALA CB C 13 20.1502 0.41 . 1 . . . . 648 ALA CB . 18791 1 821 . 1 1 223 223 ALA N N 15 120.4724 0.06 . 1 . . . . 648 ALA N . 18791 1 822 . 1 1 224 224 VAL H H 1 7.8021 0.01 . 1 . . . . 649 VAL H . 18791 1 823 . 1 1 224 224 VAL C C 13 175.9812 0.08 . 1 . . . . 649 VAL C . 18791 1 824 . 1 1 224 224 VAL CA C 13 58.9174 0.15 . 1 . . . . 649 VAL CA . 18791 1 825 . 1 1 224 224 VAL CB C 13 36.4833 0.41 . 1 . . . . 649 VAL CB . 18791 1 826 . 1 1 224 224 VAL N N 15 111.0902 0.06 . 1 . . . . 649 VAL N . 18791 1 827 . 1 1 225 225 THR H H 1 8.2502 0.01 . 1 . . . . 650 THR H . 18791 1 828 . 1 1 225 225 THR C C 13 176.2682 0.08 . 1 . . . . 650 THR C . 18791 1 829 . 1 1 225 225 THR CA C 13 62.7216 0.15 . 1 . . . . 650 THR CA . 18791 1 830 . 1 1 225 225 THR CB C 13 69.1411 0.41 . 1 . . . . 650 THR CB . 18791 1 831 . 1 1 225 225 THR N N 15 110.817 0.06 . 1 . . . . 650 THR N . 18791 1 832 . 1 1 226 226 ASP H H 1 8.0747 0.01 . 1 . . . . 651 ASP H . 18791 1 833 . 1 1 226 226 ASP C C 13 177.154 0.08 . 1 . . . . 651 ASP C . 18791 1 834 . 1 1 226 226 ASP CA C 13 57.9629 0.15 . 1 . . . . 651 ASP CA . 18791 1 835 . 1 1 226 226 ASP CB C 13 39.3212 0.41 . 1 . . . . 651 ASP CB . 18791 1 836 . 1 1 226 226 ASP N N 15 120.8406 0.06 . 1 . . . . 651 ASP N . 18791 1 837 . 1 1 227 227 ALA H H 1 10.376 0.01 . 1 . . . . 652 ALA H . 18791 1 838 . 1 1 227 227 ALA C C 13 179.6919 0.08 . 1 . . . . 652 ALA C . 18791 1 839 . 1 1 227 227 ALA CA C 13 55.245 0.15 . 1 . . . . 652 ALA CA . 18791 1 840 . 1 1 227 227 ALA N N 15 119.7361 0.06 . 1 . . . . 652 ALA N . 18791 1 841 . 1 1 228 228 ALA H H 1 7.9074 0.01 . 1 . . . . 653 ALA H . 18791 1 842 . 1 1 228 228 ALA C C 13 178.0041 0.08 . 1 . . . . 653 ALA C . 18791 1 843 . 1 1 228 228 ALA CA C 13 53.4032 0.15 . 1 . . . . 653 ALA CA . 18791 1 844 . 1 1 228 228 ALA CB C 13 16.3819 0.41 . 1 . . . . 653 ALA CB . 18791 1 845 . 1 1 228 228 ALA N N 15 119.2613 0.06 . 1 . . . . 653 ALA N . 18791 1 846 . 1 1 229 229 ILE H H 1 7.1571 0.01 . 1 . . . . 654 ILE H . 18791 1 847 . 1 1 229 229 ILE C C 13 179.2534 0.08 . 1 . . . . 654 ILE C . 18791 1 848 . 1 1 229 229 ILE CA C 13 63.5255 0.15 . 1 . . . . 654 ILE CA . 18791 1 849 . 1 1 229 229 ILE CB C 13 37.4374 0.41 . 1 . . . . 654 ILE CB . 18791 1 850 . 1 1 229 229 ILE N N 15 118.8363 0.06 . 1 . . . . 654 ILE N . 18791 1 851 . 1 1 230 230 VAL H H 1 7.9724 0.01 . 1 . . . . 655 VAL H . 18791 1 852 . 1 1 230 230 VAL C C 13 178.1586 0.08 . 1 . . . . 655 VAL C . 18791 1 853 . 1 1 230 230 VAL CA C 13 65.7487 0.15 . 1 . . . . 655 VAL CA . 18791 1 854 . 1 1 230 230 VAL CB C 13 31.2837 0.41 . 1 . . . . 655 VAL CB . 18791 1 855 . 1 1 230 230 VAL N N 15 119.0342 0.06 . 1 . . . . 655 VAL N . 18791 1 856 . 1 1 231 231 GLY H H 1 8.1949 0.01 . 1 . . . . 656 GLY H . 18791 1 857 . 1 1 231 231 GLY C C 13 173.8744 0.08 . 1 . . . . 656 GLY C . 18791 1 858 . 1 1 231 231 GLY CA C 13 46.0039 0.15 . 1 . . . . 656 GLY CA . 18791 1 859 . 1 1 231 231 GLY N N 15 104.3321 0.06 . 1 . . . . 656 GLY N . 18791 1 860 . 1 1 232 232 ARG H H 1 6.9346 0.01 . 1 . . . . 657 ARG H . 18791 1 861 . 1 1 232 232 ARG C C 13 176.964 0.08 . 1 . . . . 657 ARG C . 18791 1 862 . 1 1 232 232 ARG CA C 13 57.3817 0.15 . 1 . . . . 657 ARG CA . 18791 1 863 . 1 1 232 232 ARG CB C 13 28.7373 0.41 . 1 . . . . 657 ARG CB . 18791 1 864 . 1 1 232 232 ARG N N 15 118.9297 0.06 . 1 . . . . 657 ARG N . 18791 1 865 . 1 1 233 233 HIS H H 1 8.2134 0.01 . 1 . . . . 658 HIS H . 18791 1 866 . 1 1 233 233 HIS C C 13 174.71 0.08 . 1 . . . . 658 HIS C . 18791 1 867 . 1 1 233 233 HIS CA C 13 55.3025 0.15 . 1 . . . . 658 HIS CA . 18791 1 868 . 1 1 233 233 HIS CB C 13 30.6668 0.41 . 1 . . . . 658 HIS CB . 18791 1 869 . 1 1 233 233 HIS N N 15 114.7405 0.06 . 1 . . . . 658 HIS N . 18791 1 870 . 1 1 234 234 VAL H H 1 6.9639 0.01 . 1 . . . . 659 VAL H . 18791 1 871 . 1 1 234 234 VAL C C 13 174.9266 0.08 . 1 . . . . 659 VAL C . 18791 1 872 . 1 1 234 234 VAL CA C 13 58.7438 0.15 . 1 . . . . 659 VAL CA . 18791 1 873 . 1 1 234 234 VAL CB C 13 31.8692 0.41 . 1 . . . . 659 VAL CB . 18791 1 874 . 1 1 234 234 VAL N N 15 110.5276 0.06 . 1 . . . . 659 VAL N . 18791 1 875 . 1 1 235 235 GLY H H 1 7.9144 0.01 . 1 . . . . 660 GLY H . 18791 1 876 . 1 1 235 235 GLY C C 13 174.0124 0.08 . 1 . . . . 660 GLY C . 18791 1 877 . 1 1 235 235 GLY CA C 13 45.245 0.15 . 1 . . . . 660 GLY CA . 18791 1 878 . 1 1 235 235 GLY N N 15 109.7645 0.06 . 1 . . . . 660 GLY N . 18791 1 879 . 1 1 236 236 THR H H 1 7.2384 0.01 . 1 . . . . 661 THR H . 18791 1 880 . 1 1 236 236 THR C C 13 171.5911 0.08 . 1 . . . . 661 THR C . 18791 1 881 . 1 1 236 236 THR CA C 13 62.2776 0.15 . 1 . . . . 661 THR CA . 18791 1 882 . 1 1 236 236 THR CB C 13 71.5652 0.41 . 1 . . . . 661 THR CB . 18791 1 883 . 1 1 236 236 THR N N 15 116.7373 0.06 . 1 . . . . 661 THR N . 18791 1 884 . 1 1 237 237 THR H H 1 8.6121 0.01 . 1 . . . . 662 THR H . 18791 1 885 . 1 1 237 237 THR C C 13 173.3306 0.08 . 1 . . . . 662 THR C . 18791 1 886 . 1 1 237 237 THR CA C 13 62.2685 0.15 . 1 . . . . 662 THR CA . 18791 1 887 . 1 1 237 237 THR CB C 13 69.799 0.41 . 1 . . . . 662 THR CB . 18791 1 888 . 1 1 237 237 THR N N 15 124.9861 0.06 . 1 . . . . 662 THR N . 18791 1 889 . 1 1 238 238 LEU H H 1 8.4715 0.01 . 1 . . . . 663 LEU H . 18791 1 890 . 1 1 238 238 LEU C C 13 174.0336 0.08 . 1 . . . . 663 LEU C . 18791 1 891 . 1 1 238 238 LEU CA C 13 52.2987 0.15 . 1 . . . . 663 LEU CA . 18791 1 892 . 1 1 238 238 LEU CB C 13 45.1161 0.41 . 1 . . . . 663 LEU CB . 18791 1 893 . 1 1 238 238 LEU N N 15 123.9855 0.06 . 1 . . . . 663 LEU N . 18791 1 894 . 1 1 239 239 MET H H 1 7.5946 0.01 . 1 . . . . 664 MET H . 18791 1 895 . 1 1 239 239 MET C C 13 174.3162 0.08 . 1 . . . . 664 MET C . 18791 1 896 . 1 1 239 239 MET CA C 13 52.4541 0.15 . 1 . . . . 664 MET CA . 18791 1 897 . 1 1 239 239 MET CB C 13 36.3079 0.41 . 1 . . . . 664 MET CB . 18791 1 898 . 1 1 239 239 MET N N 15 119.4656 0.06 . 1 . . . . 664 MET N . 18791 1 899 . 1 1 240 240 VAL H H 1 9.2148 0.01 . 1 . . . . 665 VAL H . 18791 1 900 . 1 1 240 240 VAL C C 13 172.8095 0.08 . 1 . . . . 665 VAL C . 18791 1 901 . 1 1 240 240 VAL CA C 13 62.1647 0.15 . 1 . . . . 665 VAL CA . 18791 1 902 . 1 1 240 240 VAL CB C 13 31.9083 0.41 . 1 . . . . 665 VAL CB . 18791 1 903 . 1 1 240 240 VAL N N 15 128.7785 0.06 . 1 . . . . 665 VAL N . 18791 1 904 . 1 1 241 241 ALA H H 1 9.0847 0.01 . 1 . . . . 666 ALA H . 18791 1 905 . 1 1 241 241 ALA C C 13 174.7294 0.08 . 1 . . . . 666 ALA C . 18791 1 906 . 1 1 241 241 ALA CA C 13 49.7455 0.15 . 1 . . . . 666 ALA CA . 18791 1 907 . 1 1 241 241 ALA CB C 13 21.823 0.41 . 1 . . . . 666 ALA CB . 18791 1 908 . 1 1 241 241 ALA N N 15 128.3067 0.06 . 1 . . . . 666 ALA N . 18791 1 909 . 1 1 242 242 ARG H H 1 10.1706 0.01 . 1 . . . . 667 ARG H . 18791 1 910 . 1 1 242 242 ARG C C 13 175.2881 0.08 . 1 . . . . 667 ARG C . 18791 1 911 . 1 1 242 242 ARG CA C 13 55.1454 0.15 . 1 . . . . 667 ARG CA . 18791 1 912 . 1 1 242 242 ARG CB C 13 30.4761 0.41 . 1 . . . . 667 ARG CB . 18791 1 913 . 1 1 242 242 ARG N N 15 124.2608 0.06 . 1 . . . . 667 ARG N . 18791 1 914 . 1 1 243 243 TYR H H 1 8.6205 0.01 . 1 . . . . 668 TYR H . 18791 1 915 . 1 1 243 243 TYR C C 13 174.5894 0.08 . 1 . . . . 668 TYR C . 18791 1 916 . 1 1 243 243 TYR CA C 13 58.9783 0.15 . 1 . . . . 668 TYR CA . 18791 1 917 . 1 1 243 243 TYR CB C 13 38.7685 0.41 . 1 . . . . 668 TYR CB . 18791 1 918 . 1 1 243 243 TYR N N 15 130.5546 0.06 . 1 . . . . 668 TYR N . 18791 1 919 . 1 1 244 244 ALA H H 1 8.5803 0.01 . 1 . . . . 669 ALA H . 18791 1 920 . 1 1 244 244 ALA CA C 13 54.0329 0.15 . 1 . . . . 669 ALA CA . 18791 1 921 . 1 1 244 244 ALA CB C 13 16.908 0.41 . 1 . . . . 669 ALA CB . 18791 1 922 . 1 1 244 244 ALA N N 15 125.5766 0.06 . 1 . . . . 669 ALA N . 18791 1 923 . 1 1 245 245 VAL H H 1 7.6054 0.01 . 1 . . . . 670 VAL H . 18791 1 924 . 1 1 245 245 VAL C C 13 176.5402 0.08 . 1 . . . . 670 VAL C . 18791 1 925 . 1 1 245 245 VAL CA C 13 63.8427 0.15 . 1 . . . . 670 VAL CA . 18791 1 926 . 1 1 245 245 VAL CB C 13 34.1823 0.41 . 1 . . . . 670 VAL CB . 18791 1 927 . 1 1 245 245 VAL N N 15 119.331 0.06 . 1 . . . . 670 VAL N . 18791 1 928 . 1 1 246 246 ASN H H 1 7.9516 0.01 . 1 . . . . 671 ASN H . 18791 1 929 . 1 1 246 246 ASN C C 13 174.1306 0.08 . 1 . . . . 671 ASN C . 18791 1 930 . 1 1 246 246 ASN CA C 13 54.2729 0.15 . 1 . . . . 671 ASN CA . 18791 1 931 . 1 1 246 246 ASN CB C 13 40.7798 0.41 . 1 . . . . 671 ASN CB . 18791 1 932 . 1 1 246 246 ASN N N 15 115.9249 0.06 . 1 . . . . 671 ASN N . 18791 1 933 . 1 1 247 247 THR H H 1 8.6308 0.01 . 1 . . . . 672 THR H . 18791 1 934 . 1 1 247 247 THR C C 13 175.4155 0.08 . 1 . . . . 672 THR C . 18791 1 935 . 1 1 247 247 THR CA C 13 58.7601 0.15 . 1 . . . . 672 THR CA . 18791 1 936 . 1 1 247 247 THR CB C 13 71.1595 0.41 . 1 . . . . 672 THR CB . 18791 1 937 . 1 1 247 247 THR N N 15 111.1132 0.06 . 1 . . . . 672 THR N . 18791 1 938 . 1 1 248 248 LEU H H 1 8.6955 0.01 . 1 . . . . 673 LEU H . 18791 1 939 . 1 1 248 248 LEU C C 13 178.1179 0.08 . 1 . . . . 673 LEU C . 18791 1 940 . 1 1 248 248 LEU CA C 13 57.8932 0.15 . 1 . . . . 673 LEU CA . 18791 1 941 . 1 1 248 248 LEU CB C 13 40.268 0.41 . 1 . . . . 673 LEU CB . 18791 1 942 . 1 1 248 248 LEU N N 15 122.511 0.06 . 1 . . . . 673 LEU N . 18791 1 943 . 1 1 249 249 LYS H H 1 8.2462 0.01 . 1 . . . . 674 LYS H . 18791 1 944 . 1 1 249 249 LYS C C 13 180.062 0.08 . 1 . . . . 674 LYS C . 18791 1 945 . 1 1 249 249 LYS CA C 13 58.7172 0.15 . 1 . . . . 674 LYS CA . 18791 1 946 . 1 1 249 249 LYS CB C 13 30.8974 0.41 . 1 . . . . 674 LYS CB . 18791 1 947 . 1 1 249 249 LYS N N 15 118.7405 0.06 . 1 . . . . 674 LYS N . 18791 1 948 . 1 1 250 250 GLU H H 1 7.9727 0.01 . 1 . . . . 675 GLU H . 18791 1 949 . 1 1 250 250 GLU C C 13 180.553 0.08 . 1 . . . . 675 GLU C . 18791 1 950 . 1 1 250 250 GLU CA C 13 59.1137 0.15 . 1 . . . . 675 GLU CA . 18791 1 951 . 1 1 250 250 GLU CB C 13 29.9352 0.41 . 1 . . . . 675 GLU CB . 18791 1 952 . 1 1 250 250 GLU N N 15 121.7597 0.06 . 1 . . . . 675 GLU N . 18791 1 953 . 1 1 251 251 VAL H H 1 8.0101 0.01 . 1 . . . . 676 VAL H . 18791 1 954 . 1 1 251 251 VAL C C 13 177.3392 0.08 . 1 . . . . 676 VAL C . 18791 1 955 . 1 1 251 251 VAL CA C 13 66.9445 0.15 . 1 . . . . 676 VAL CA . 18791 1 956 . 1 1 251 251 VAL CB C 13 30.4879 0.41 . 1 . . . . 676 VAL CB . 18791 1 957 . 1 1 251 251 VAL N N 15 121.7748 0.06 . 1 . . . . 676 VAL N . 18791 1 958 . 1 1 252 252 GLU H H 1 9.1776 0.01 . 1 . . . . 677 GLU H . 18791 1 959 . 1 1 252 252 GLU C C 13 180.0065 0.08 . 1 . . . . 677 GLU C . 18791 1 960 . 1 1 252 252 GLU CA C 13 60.0255 0.15 . 1 . . . . 677 GLU CA . 18791 1 961 . 1 1 252 252 GLU CB C 13 28.9717 0.41 . 1 . . . . 677 GLU CB . 18791 1 962 . 1 1 252 252 GLU N N 15 119.827 0.06 . 1 . . . . 677 GLU N . 18791 1 963 . 1 1 253 253 THR H H 1 8.7249 0.01 . 1 . . . . 678 THR H . 18791 1 964 . 1 1 253 253 THR C C 13 177.119 0.08 . 1 . . . . 678 THR C . 18791 1 965 . 1 1 253 253 THR CA C 13 66.0916 0.15 . 1 . . . . 678 THR CA . 18791 1 966 . 1 1 253 253 THR CB C 13 67.9914 0.41 . 1 . . . . 678 THR CB . 18791 1 967 . 1 1 253 253 THR N N 15 116.1456 0.06 . 1 . . . . 678 THR N . 18791 1 968 . 1 1 254 254 SER H H 1 7.7652 0.01 . 1 . . . . 679 SER H . 18791 1 969 . 1 1 254 254 SER C C 13 174.9415 0.08 . 1 . . . . 679 SER C . 18791 1 970 . 1 1 254 254 SER CA C 13 63.1917 0.15 . 1 . . . . 679 SER CA . 18791 1 971 . 1 1 254 254 SER N N 15 119.5043 0.06 . 1 . . . . 679 SER N . 18791 1 972 . 1 1 255 255 LEU H H 1 8.4187 0.01 . 1 . . . . 680 LEU H . 18791 1 973 . 1 1 255 255 LEU C C 13 179.9193 0.08 . 1 . . . . 680 LEU C . 18791 1 974 . 1 1 255 255 LEU CA C 13 58.2235 0.15 . 1 . . . . 680 LEU CA . 18791 1 975 . 1 1 255 255 LEU CB C 13 39.696 0.41 . 1 . . . . 680 LEU CB . 18791 1 976 . 1 1 255 255 LEU N N 15 121.7476 0.06 . 1 . . . . 680 LEU N . 18791 1 977 . 1 1 256 256 SER H H 1 8.3212 0.01 . 1 . . . . 681 SER H . 18791 1 978 . 1 1 256 256 SER CA C 13 61.038 0.15 . 1 . . . . 681 SER CA . 18791 1 979 . 1 1 256 256 SER CB C 13 62.0798 0.41 . 1 . . . . 681 SER CB . 18791 1 980 . 1 1 256 256 SER N N 15 116.0089 0.06 . 1 . . . . 681 SER N . 18791 1 981 . 1 1 257 257 ARG H H 1 7.8184 0.01 . 1 . . . . 682 ARG H . 18791 1 982 . 1 1 257 257 ARG C C 13 179.967 0.08 . 1 . . . . 682 ARG C . 18791 1 983 . 1 1 257 257 ARG CA C 13 58.5682 0.15 . 1 . . . . 682 ARG CA . 18791 1 984 . 1 1 257 257 ARG CB C 13 28.4724 0.41 . 1 . . . . 682 ARG CB . 18791 1 985 . 1 1 257 257 ARG N N 15 122.0516 0.06 . 1 . . . . 682 ARG N . 18791 1 986 . 1 1 258 258 PHE H H 1 7.7778 0.01 . 1 . . . . 683 PHE H . 18791 1 987 . 1 1 258 258 PHE C C 13 178.676 0.08 . 1 . . . . 683 PHE C . 18791 1 988 . 1 1 258 258 PHE CA C 13 64.3834 0.15 . 1 . . . . 683 PHE CA . 18791 1 989 . 1 1 258 258 PHE CB C 13 36.6694 0.41 . 1 . . . . 683 PHE CB . 18791 1 990 . 1 1 258 258 PHE N N 15 119.6525 0.06 . 1 . . . . 683 PHE N . 18791 1 991 . 1 1 259 259 GLU H H 1 8.5101 0.01 . 1 . . . . 684 GLU H . 18791 1 992 . 1 1 259 259 GLU C C 13 181.2427 0.08 . 1 . . . . 684 GLU C . 18791 1 993 . 1 1 259 259 GLU CA C 13 59.7331 0.15 . 1 . . . . 684 GLU CA . 18791 1 994 . 1 1 259 259 GLU CB C 13 28.3041 0.41 . 1 . . . . 684 GLU CB . 18791 1 995 . 1 1 259 259 GLU N N 15 123.2266 0.06 . 1 . . . . 684 GLU N . 18791 1 996 . 1 1 260 260 GLN H H 1 8.5268 0.01 . 1 . . . . 685 GLN H . 18791 1 997 . 1 1 260 260 GLN C C 13 176.8572 0.08 . 1 . . . . 685 GLN C . 18791 1 998 . 1 1 260 260 GLN CA C 13 57.7163 0.15 . 1 . . . . 685 GLN CA . 18791 1 999 . 1 1 260 260 GLN CB C 13 27.2862 0.41 . 1 . . . . 685 GLN CB . 18791 1 1000 . 1 1 260 260 GLN N N 15 120.4268 0.06 . 1 . . . . 685 GLN N . 18791 1 1001 . 1 1 261 261 ASN H H 1 7.3276 0.01 . 1 . . . . 686 ASN H . 18791 1 1002 . 1 1 261 261 ASN C C 13 174.0457 0.08 . 1 . . . . 686 ASN C . 18791 1 1003 . 1 1 261 261 ASN CA C 13 53.6087 0.15 . 1 . . . . 686 ASN CA . 18791 1 1004 . 1 1 261 261 ASN CB C 13 40.7175 0.41 . 1 . . . . 686 ASN CB . 18791 1 1005 . 1 1 261 261 ASN N N 15 115.9691 0.06 . 1 . . . . 686 ASN N . 18791 1 1006 . 1 1 262 262 GLY H H 1 7.9452 0.01 . 1 . . . . 687 GLY H . 18791 1 1007 . 1 1 262 262 GLY C C 13 173.9806 0.08 . 1 . . . . 687 GLY C . 18791 1 1008 . 1 1 262 262 GLY CA C 13 46.1 0.15 . 1 . . . . 687 GLY CA . 18791 1 1009 . 1 1 262 262 GLY N N 15 109.1376 0.06 . 1 . . . . 687 GLY N . 18791 1 1010 . 1 1 263 263 ILE H H 1 7.8782 0.01 . 1 . . . . 688 ILE H . 18791 1 1011 . 1 1 263 263 ILE C C 13 173.0153 0.08 . 1 . . . . 688 ILE C . 18791 1 1012 . 1 1 263 263 ILE CA C 13 56.2109 0.15 . 1 . . . . 688 ILE CA . 18791 1 1013 . 1 1 263 263 ILE CB C 13 38.0431 0.41 . 1 . . . . 688 ILE CB . 18791 1 1014 . 1 1 263 263 ILE N N 15 122.7852 0.06 . 1 . . . . 688 ILE N . 18791 1 1015 . 1 1 264 264 PRO C C 13 176.7468 0.08 . 1 . . . . 689 PRO C . 18791 1 1016 . 1 1 264 264 PRO CA C 13 61.5136 0.15 . 1 . . . . 689 PRO CA . 18791 1 1017 . 1 1 264 264 PRO CB C 13 31.1123 0.41 . 1 . . . . 689 PRO CB . 18791 1 1018 . 1 1 265 265 VAL H H 1 8.2455 0.01 . 1 . . . . 690 VAL H . 18791 1 1019 . 1 1 265 265 VAL C C 13 176.001 0.08 . 1 . . . . 690 VAL C . 18791 1 1020 . 1 1 265 265 VAL CA C 13 61.3484 0.15 . 1 . . . . 690 VAL CA . 18791 1 1021 . 1 1 265 265 VAL CB C 13 31.8098 0.41 . 1 . . . . 690 VAL CB . 18791 1 1022 . 1 1 265 265 VAL N N 15 124.703 0.06 . 1 . . . . 690 VAL N . 18791 1 1023 . 1 1 266 266 LYS H H 1 8.4438 0.01 . 1 . . . . 691 LYS H . 18791 1 1024 . 1 1 266 266 LYS C C 13 176.7037 0.08 . 1 . . . . 691 LYS C . 18791 1 1025 . 1 1 266 266 LYS CA C 13 56.8539 0.15 . 1 . . . . 691 LYS CA . 18791 1 1026 . 1 1 266 266 LYS CB C 13 30.8791 0.41 . 1 . . . . 691 LYS CB . 18791 1 1027 . 1 1 266 266 LYS N N 15 130.5882 0.06 . 1 . . . . 691 LYS N . 18791 1 1028 . 1 1 267 267 GLY H H 1 6.7442 0.01 . 1 . . . . 692 GLY H . 18791 1 1029 . 1 1 267 267 GLY C C 13 170.3858 0.08 . 1 . . . . 692 GLY C . 18791 1 1030 . 1 1 267 267 GLY CA C 13 44.4796 0.15 . 1 . . . . 692 GLY CA . 18791 1 1031 . 1 1 267 267 GLY N N 15 100.827 0.06 . 1 . . . . 692 GLY N . 18791 1 1032 . 1 1 268 268 VAL H H 1 8.8 0.01 . 1 . . . . 693 VAL H . 18791 1 1033 . 1 1 268 268 VAL C C 13 175.3785 0.08 . 1 . . . . 693 VAL C . 18791 1 1034 . 1 1 268 268 VAL CA C 13 58.8277 0.15 . 1 . . . . 693 VAL CA . 18791 1 1035 . 1 1 268 268 VAL CB C 13 35.028 0.41 . 1 . . . . 693 VAL CB . 18791 1 1036 . 1 1 268 268 VAL N N 15 117.7933 0.06 . 1 . . . . 693 VAL N . 18791 1 1037 . 1 1 269 269 ILE H H 1 8.8934 0.01 . 1 . . . . 694 ILE H . 18791 1 1038 . 1 1 269 269 ILE C C 13 173.8979 0.08 . 1 . . . . 694 ILE C . 18791 1 1039 . 1 1 269 269 ILE CA C 13 58.9794 0.15 . 1 . . . . 694 ILE CA . 18791 1 1040 . 1 1 269 269 ILE CB C 13 39.487 0.41 . 1 . . . . 694 ILE CB . 18791 1 1041 . 1 1 269 269 ILE N N 15 127.0549 0.06 . 1 . . . . 694 ILE N . 18791 1 1042 . 1 1 270 270 LEU H H 1 8.6417 0.01 . 1 . . . . 695 LEU H . 18791 1 1043 . 1 1 270 270 LEU C C 13 173.9081 0.08 . 1 . . . . 695 LEU C . 18791 1 1044 . 1 1 270 270 LEU CA C 13 53.495 0.15 . 1 . . . . 695 LEU CA . 18791 1 1045 . 1 1 270 270 LEU CB C 13 42.492 0.41 . 1 . . . . 695 LEU CB . 18791 1 1046 . 1 1 270 270 LEU N N 15 130.2891 0.06 . 1 . . . . 695 LEU N . 18791 1 1047 . 1 1 271 271 ASN H H 1 9.2672 0.01 . 1 . . . . 696 ASN H . 18791 1 1048 . 1 1 271 271 ASN C C 13 173.3133 0.08 . 1 . . . . 696 ASN C . 18791 1 1049 . 1 1 271 271 ASN CA C 13 52.0003 0.15 . 1 . . . . 696 ASN CA . 18791 1 1050 . 1 1 271 271 ASN CB C 13 43.2318 0.41 . 1 . . . . 696 ASN CB . 18791 1 1051 . 1 1 271 271 ASN N N 15 123.9754 0.06 . 1 . . . . 696 ASN N . 18791 1 1052 . 1 1 272 272 SER H H 1 7.6712 0.01 . 1 . . . . 697 SER H . 18791 1 1053 . 1 1 272 272 SER C C 13 173.1855 0.08 . 1 . . . . 697 SER C . 18791 1 1054 . 1 1 272 272 SER CA C 13 58.0994 0.15 . 1 . . . . 697 SER CA . 18791 1 1055 . 1 1 272 272 SER N N 15 121.0583 0.06 . 1 . . . . 697 SER N . 18791 1 1056 . 1 1 274 274 PHE C C 13 172.7687 0.08 . 1 . . . . 699 PHE C . 18791 1 1057 . 1 1 274 274 PHE CA C 13 55.0464 0.15 . 1 . . . . 699 PHE CA . 18791 1 1058 . 1 1 274 274 PHE CB C 13 40.1364 0.41 . 1 . . . . 699 PHE CB . 18791 1 1059 . 1 1 275 275 ARG H H 1 8.3665 0.01 . 1 . . . . 700 ARG H . 18791 1 1060 . 1 1 275 275 ARG C C 13 175.6797 0.08 . 1 . . . . 700 ARG C . 18791 1 1061 . 1 1 275 275 ARG CA C 13 55.0618 0.15 . 1 . . . . 700 ARG CA . 18791 1 1062 . 1 1 275 275 ARG CB C 13 29.9398 0.41 . 1 . . . . 700 ARG CB . 18791 1 1063 . 1 1 275 275 ARG N N 15 122.0404 0.06 . 1 . . . . 700 ARG N . 18791 1 1064 . 1 1 276 276 ARG H H 1 8.4271 0.01 . 1 . . . . 701 ARG H . 18791 1 1065 . 1 1 276 276 ARG C C 13 175.9884 0.08 . 1 . . . . 701 ARG C . 18791 1 1066 . 1 1 276 276 ARG CA C 13 55.8919 0.15 . 1 . . . . 701 ARG CA . 18791 1 1067 . 1 1 276 276 ARG CB C 13 30.0169 0.41 . 1 . . . . 701 ARG CB . 18791 1 1068 . 1 1 276 276 ARG N N 15 125.8036 0.06 . 1 . . . . 701 ARG N . 18791 1 1069 . 1 1 277 277 ALA H H 1 8.4878 0.01 . 1 . . . . 702 ALA H . 18791 1 1070 . 1 1 277 277 ALA C C 13 177.7473 0.08 . 1 . . . . 702 ALA C . 18791 1 1071 . 1 1 277 277 ALA CA C 13 52.2472 0.15 . 1 . . . . 702 ALA CA . 18791 1 1072 . 1 1 277 277 ALA CB C 13 18.4522 0.41 . 1 . . . . 702 ALA CB . 18791 1 1073 . 1 1 277 277 ALA N N 15 126.5102 0.06 . 1 . . . . 702 ALA N . 18791 1 1074 . 1 1 278 278 SER H H 1 8.1311 0.01 . 1 . . . . 703 SER H . 18791 1 1075 . 1 1 278 278 SER C C 13 174.3184 0.08 . 1 . . . . 703 SER C . 18791 1 1076 . 1 1 278 278 SER CA C 13 57.8649 0.15 . 1 . . . . 703 SER CA . 18791 1 1077 . 1 1 278 278 SER CB C 13 63.2704 0.41 . 1 . . . . 703 SER CB . 18791 1 1078 . 1 1 278 278 SER N N 15 115.2277 0.06 . 1 . . . . 703 SER N . 18791 1 1079 . 1 1 279 279 ALA H H 1 8.23 0.01 . 1 . . . . 704 ALA H . 18791 1 1080 . 1 1 279 279 ALA C C 13 177.3864 0.08 . 1 . . . . 704 ALA C . 18791 1 1081 . 1 1 279 279 ALA CA C 13 52.2128 0.15 . 1 . . . . 704 ALA CA . 18791 1 1082 . 1 1 279 279 ALA CB C 13 18.2611 0.41 . 1 . . . . 704 ALA CB . 18791 1 1083 . 1 1 279 279 ALA N N 15 125.9 0.06 . 1 . . . . 704 ALA N . 18791 1 1084 . 1 1 280 280 TYR H H 1 7.8665 0.01 . 1 . . . . 705 TYR H . 18791 1 1085 . 1 1 280 280 TYR C C 13 175.8606 0.08 . 1 . . . . 705 TYR C . 18791 1 1086 . 1 1 280 280 TYR CA C 13 57.345 0.15 . 1 . . . . 705 TYR CA . 18791 1 1087 . 1 1 280 280 TYR CB C 13 37.7584 0.41 . 1 . . . . 705 TYR CB . 18791 1 1088 . 1 1 280 280 TYR N N 15 118.2196 0.06 . 1 . . . . 705 TYR N . 18791 1 1089 . 1 1 281 281 GLN H H 1 8.1061 0.01 . 1 . . . . 706 GLN H . 18791 1 1090 . 1 1 281 281 GLN C C 13 175.3185 0.08 . 1 . . . . 706 GLN C . 18791 1 1091 . 1 1 281 281 GLN CA C 13 55.5143 0.15 . 1 . . . . 706 GLN CA . 18791 1 1092 . 1 1 281 281 GLN CB C 13 28.5077 0.41 . 1 . . . . 706 GLN CB . 18791 1 1093 . 1 1 281 281 GLN N N 15 120.5719 0.06 . 1 . . . . 706 GLN N . 18791 1 1094 . 1 1 282 282 ASP H H 1 8.1267 0.01 . 1 . . . . 707 ASP H . 18791 1 1095 . 1 1 282 282 ASP C C 13 175.8827 0.08 . 1 . . . . 707 ASP C . 18791 1 1096 . 1 1 282 282 ASP CA C 13 53.8352 0.15 . 1 . . . . 707 ASP CA . 18791 1 1097 . 1 1 282 282 ASP CB C 13 40.4543 0.41 . 1 . . . . 707 ASP CB . 18791 1 1098 . 1 1 282 282 ASP N N 15 121.1736 0.06 . 1 . . . . 707 ASP N . 18791 1 1099 . 1 1 283 283 TYR H H 1 8.0469 0.01 . 1 . . . . 708 TYR H . 18791 1 1100 . 1 1 283 283 TYR C C 13 176.2115 0.08 . 1 . . . . 708 TYR C . 18791 1 1101 . 1 1 283 283 TYR CA C 13 57.5033 0.15 . 1 . . . . 708 TYR CA . 18791 1 1102 . 1 1 283 283 TYR CB C 13 37.7518 0.41 . 1 . . . . 708 TYR CB . 18791 1 1103 . 1 1 283 283 TYR N N 15 120.7224 0.06 . 1 . . . . 708 TYR N . 18791 1 1104 . 1 1 284 284 GLY H H 1 8.2449 0.01 . 1 . . . . 709 GLY H . 18791 1 1105 . 1 1 284 284 GLY C C 13 173.6934 0.08 . 1 . . . . 709 GLY C . 18791 1 1106 . 1 1 284 284 GLY CA C 13 44.8799 0.15 . 1 . . . . 709 GLY CA . 18791 1 1107 . 1 1 284 284 GLY N N 15 109.7134 0.06 . 1 . . . . 709 GLY N . 18791 1 1108 . 1 1 285 285 TYR H H 1 7.8339 0.01 . 1 . . . . 710 TYR H . 18791 1 1109 . 1 1 285 285 TYR C C 13 173.668 0.08 . 1 . . . . 710 TYR C . 18791 1 1110 . 1 1 285 285 TYR CA C 13 54.8765 0.15 . 1 . . . . 710 TYR CA . 18791 1 1111 . 1 1 285 285 TYR CB C 13 41.4544 0.41 . 1 . . . . 710 TYR CB . 18791 1 1112 . 1 1 285 285 TYR N N 15 122.2755 0.06 . 1 . . . . 710 TYR N . 18791 1 1113 . 1 1 286 286 TYR C C 13 175.5443 0.08 . 1 . . . . 711 TYR C . 18791 1 1114 . 1 1 286 286 TYR CA C 13 57.5401 0.15 . 1 . . . . 711 TYR CA . 18791 1 1115 . 1 1 286 286 TYR CB C 13 38.1164 0.41 . 1 . . . . 711 TYR CB . 18791 1 1116 . 1 1 287 287 GLU H H 1 8.3115 0.01 . 1 . . . . 712 GLU H . 18791 1 1117 . 1 1 287 287 GLU C C 13 175.5407 0.08 . 1 . . . . 712 GLU C . 18791 1 1118 . 1 1 287 287 GLU CA C 13 56.0487 0.15 . 1 . . . . 712 GLU CA . 18791 1 1119 . 1 1 287 287 GLU CB C 13 29.3739 0.41 . 1 . . . . 712 GLU CB . 18791 1 1120 . 1 1 287 287 GLU N N 15 122.2664 0.06 . 1 . . . . 712 GLU N . 18791 1 1121 . 1 1 288 288 TYR H H 1 8.1488 0.01 . 1 . . . . 713 TYR H . 18791 1 1122 . 1 1 288 288 TYR C C 13 175.3736 0.08 . 1 . . . . 713 TYR C . 18791 1 1123 . 1 1 288 288 TYR CA C 13 55.1112 0.15 . 1 . . . . 713 TYR CA . 18791 1 1124 . 1 1 288 288 TYR CB C 13 38.3067 0.41 . 1 . . . . 713 TYR CB . 18791 1 1125 . 1 1 288 288 TYR N N 15 123.077 0.06 . 1 . . . . 713 TYR N . 18791 1 1126 . 1 1 289 289 GLU H H 1 8.1961 0.01 . 1 . . . . 714 GLU H . 18791 1 1127 . 1 1 289 289 GLU C C 13 175.6162 0.08 . 1 . . . . 714 GLU C . 18791 1 1128 . 1 1 289 289 GLU CA C 13 55.5686 0.15 . 1 . . . . 714 GLU CA . 18791 1 1129 . 1 1 289 289 GLU CB C 13 29.6041 0.41 . 1 . . . . 714 GLU CB . 18791 1 1130 . 1 1 289 289 GLU N N 15 122.4443 0.06 . 1 . . . . 714 GLU N . 18791 1 1131 . 1 1 290 290 TYR H H 1 8.053 0.01 . 1 . . . . 715 TYR H . 18791 1 1132 . 1 1 290 290 TYR C C 13 175.5115 0.08 . 1 . . . . 715 TYR C . 18791 1 1133 . 1 1 290 290 TYR CA C 13 57.4682 0.15 . 1 . . . . 715 TYR CA . 18791 1 1134 . 1 1 290 290 TYR CB C 13 37.8721 0.41 . 1 . . . . 715 TYR CB . 18791 1 1135 . 1 1 290 290 TYR N N 15 122.5306 0.06 . 1 . . . . 715 TYR N . 18791 1 1136 . 1 1 291 291 LYS H H 1 8.0741 0.01 . 1 . . . . 716 LYS H . 18791 1 1137 . 1 1 291 291 LYS C C 13 176.1233 0.08 . 1 . . . . 716 LYS C . 18791 1 1138 . 1 1 291 291 LYS CA C 13 55.421 0.15 . 1 . . . . 716 LYS CA . 18791 1 1139 . 1 1 291 291 LYS CB C 13 32.2436 0.41 . 1 . . . . 716 LYS CB . 18791 1 1140 . 1 1 291 291 LYS N N 15 124.6247 0.06 . 1 . . . . 716 LYS N . 18791 1 1141 . 1 1 292 292 SER H H 1 8.2048 0.01 . 1 . . . . 717 SER H . 18791 1 1142 . 1 1 292 292 SER C C 13 174.303 0.08 . 1 . . . . 717 SER C . 18791 1 1143 . 1 1 292 292 SER CA C 13 57.8792 0.15 . 1 . . . . 717 SER CA . 18791 1 1144 . 1 1 292 292 SER CB C 13 63.2668 0.41 . 1 . . . . 717 SER CB . 18791 1 1145 . 1 1 292 292 SER N N 15 117.7661 0.06 . 1 . . . . 717 SER N . 18791 1 1146 . 1 1 293 293 ASP H H 1 8.2589 0.01 . 1 . . . . 718 ASP H . 18791 1 1147 . 1 1 293 293 ASP C C 13 175.6548 0.08 . 1 . . . . 718 ASP C . 18791 1 1148 . 1 1 293 293 ASP CA C 13 53.7186 0.15 . 1 . . . . 718 ASP CA . 18791 1 1149 . 1 1 293 293 ASP CB C 13 40.3877 0.41 . 1 . . . . 718 ASP CB . 18791 1 1150 . 1 1 293 293 ASP N N 15 122.9286 0.06 . 1 . . . . 718 ASP N . 18791 1 1151 . 1 1 294 294 ALA H H 1 7.9749 0.01 . 1 . . . . 719 ALA H . 18791 1 1152 . 1 1 294 294 ALA C C 13 176.6453 0.08 . 1 . . . . 719 ALA C . 18791 1 1153 . 1 1 294 294 ALA CA C 13 52.0434 0.15 . 1 . . . . 719 ALA CA . 18791 1 1154 . 1 1 294 294 ALA CB C 13 18.3226 0.41 . 1 . . . . 719 ALA CB . 18791 1 1155 . 1 1 294 294 ALA N N 15 124.7421 0.06 . 1 . . . . 719 ALA N . 18791 1 1156 . 1 1 295 295 LYS H H 1 7.7669 0.01 . 1 . . . . 720 LYS H . 18791 1 1157 . 1 1 295 295 LYS C C 13 181.4178 0.08 . 1 . . . . 720 LYS C . 18791 1 1158 . 1 1 295 295 LYS CA C 13 57.1497 0.15 . 1 . . . . 720 LYS CA . 18791 1 1159 . 1 1 295 295 LYS CB C 13 32.6049 0.41 . 1 . . . . 720 LYS CB . 18791 1 1160 . 1 1 295 295 LYS N N 15 126.5729 0.06 . 1 . . . . 720 LYS N . 18791 1 stop_ save_