data_6893 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6893 _Entry.Title ; Bovine Fibrinogen alpha-C Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-11-10 _Entry.Accession_date 2005-11-29 _Entry.Last_release_date 2005-11-29 _Entry.Original_release_date 2005-11-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 R. Burton . A. . . 6893 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6893 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 328 6893 '15N chemical shifts' 118 6893 '1H chemical shifts' 436 6893 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 . . 2006-04-20 . original BMRB . 6893 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6893 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16475814 _Citation.Full_citation . _Citation.Title ; Identification of an Ordered Compact Structure within the Recombinant Bovine Fibrinogen alphaC-Domain Fragment by NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 7 _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 2257 _Citation.Page_last 2266 _Citation.Year 2006 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Burton . A. . . 6893 1 2 G. Tsurupa . . . . 6893 1 3 L. Medved . . . . 6893 1 4 N. Tjandra . . . . 6893 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Fibrinogen 6893 1 'beta hairpin' 6893 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Fibrinogen_alpha _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Fibrinogen_alpha _Assembly.Entry_ID 6893 _Assembly.ID 1 _Assembly.Name 'Fibrinogen alpha chain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6893 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Fibrinogen alpha chain' 1 $Fibrinogen_alpha . . . native . . . . . 6893 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 51 51 SG . 1 . 1 CYS 81 81 SG . . . . . . . . . . . . 6893 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 2BAF . . . . . . 6893 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Fibrinogen alpha chain' abbreviation 6893 1 'Fibrinogen alpha chain' system 6893 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Fibrinogen_alpha _Entity.Sf_category entity _Entity.Sf_framecode Fibrinogen_alpha _Entity.Entry_ID 6893 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Fibrinogen alpha chain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGTFREEGSVSSGTKQEFHT GKLVTTKGDKELLIDNEKVT SGHTTTTRRSCSKVITKTVT NADGRTETTKEVVKSEDGSD CGDADFDWHHTFPSRGNLDD FFHRDKDDFFTRSSHEFDGR TGLAPEFAALGESGSSSSKT STHSKQFVSSSTTVNRGGSA IESKHF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 166 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _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 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2BAF . 'Bovine Fibrinogen Alpha-C Domain' . . . . . 100.00 166 100.00 100.00 7.35e-89 . . . . 6893 1 2 no GenBank AAC67562 . 'fibrinogen A-alpha chain [Bos taurus]' . . . . . 100.00 391 99.40 99.40 7.47e-90 . . . . 6893 1 3 no GenBank AAI02565 . 'Fibrinogen alpha chain [Bos taurus]' . . . . . 100.00 615 99.40 99.40 7.66e-90 . . . . 6893 1 4 no GenBank AAI42073 . 'Fibrinogen alpha chain [Bos taurus]' . . . . . 100.00 615 99.40 99.40 1.08e-89 . . . . 6893 1 5 no REF NP_001028798 . 'fibrinogen, alpha polypeptide [Bos taurus]' . . . . . 100.00 615 99.40 99.40 7.66e-90 . . . . 6893 1 6 no SWISS-PROT P02672 . 'Fibrinogen alpha chain precursor [Contains: Fibrinopeptide A]' . . . . . 100.00 615 99.40 99.40 7.66e-90 . . . . 6893 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Fibrinogen alpha chain' abbreviation 6893 1 'Fibrinogen alpha chain' common 6893 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 1 373 MET . 6893 1 2 374 GLY . 6893 1 3 375 THR . 6893 1 4 376 PHE . 6893 1 5 377 ARG . 6893 1 6 378 GLU . 6893 1 7 379 GLU . 6893 1 8 380 GLY . 6893 1 9 381 SER . 6893 1 10 382 VAL . 6893 1 11 383 SER . 6893 1 12 384 SER . 6893 1 13 385 GLY . 6893 1 14 386 THR . 6893 1 15 387 LYS . 6893 1 16 388 GLN . 6893 1 17 389 GLU . 6893 1 18 390 PHE . 6893 1 19 391 HIS . 6893 1 20 392 THR . 6893 1 21 393 GLY . 6893 1 22 394 LYS . 6893 1 23 395 LEU . 6893 1 24 396 VAL . 6893 1 25 397 THR . 6893 1 26 398 THR . 6893 1 27 399 LYS . 6893 1 28 400 GLY . 6893 1 29 401 ASP . 6893 1 30 402 LYS . 6893 1 31 403 GLU . 6893 1 32 404 LEU . 6893 1 33 405 LEU . 6893 1 34 406 ILE . 6893 1 35 407 ASP . 6893 1 36 408 ASN . 6893 1 37 409 GLU . 6893 1 38 410 LYS . 6893 1 39 411 VAL . 6893 1 40 412 THR . 6893 1 41 413 SER . 6893 1 42 414 GLY . 6893 1 43 415 HIS . 6893 1 44 416 THR . 6893 1 45 417 THR . 6893 1 46 418 THR . 6893 1 47 419 THR . 6893 1 48 420 ARG . 6893 1 49 421 ARG . 6893 1 50 422 SER . 6893 1 51 423 CYS . 6893 1 52 424 SER . 6893 1 53 425 LYS . 6893 1 54 426 VAL . 6893 1 55 427 ILE . 6893 1 56 428 THR . 6893 1 57 429 LYS . 6893 1 58 430 THR . 6893 1 59 431 VAL . 6893 1 60 432 THR . 6893 1 61 433 ASN . 6893 1 62 434 ALA . 6893 1 63 435 ASP . 6893 1 64 436 GLY . 6893 1 65 437 ARG . 6893 1 66 438 THR . 6893 1 67 439 GLU . 6893 1 68 440 THR . 6893 1 69 441 THR . 6893 1 70 442 LYS . 6893 1 71 443 GLU . 6893 1 72 444 VAL . 6893 1 73 445 VAL . 6893 1 74 446 LYS . 6893 1 75 447 SER . 6893 1 76 448 GLU . 6893 1 77 449 ASP . 6893 1 78 450 GLY . 6893 1 79 451 SER . 6893 1 80 452 ASP . 6893 1 81 453 CYS . 6893 1 82 454 GLY . 6893 1 83 455 ASP . 6893 1 84 456 ALA . 6893 1 85 457 ASP . 6893 1 86 458 PHE . 6893 1 87 459 ASP . 6893 1 88 460 TRP . 6893 1 89 461 HIS . 6893 1 90 462 HIS . 6893 1 91 463 THR . 6893 1 92 464 PHE . 6893 1 93 465 PRO . 6893 1 94 466 SER . 6893 1 95 467 ARG . 6893 1 96 468 GLY . 6893 1 97 469 ASN . 6893 1 98 470 LEU . 6893 1 99 471 ASP . 6893 1 100 472 ASP . 6893 1 101 473 PHE . 6893 1 102 474 PHE . 6893 1 103 475 HIS . 6893 1 104 476 ARG . 6893 1 105 477 ASP . 6893 1 106 478 LYS . 6893 1 107 479 ASP . 6893 1 108 480 ASP . 6893 1 109 481 PHE . 6893 1 110 482 PHE . 6893 1 111 483 THR . 6893 1 112 484 ARG . 6893 1 113 485 SER . 6893 1 114 486 SER . 6893 1 115 487 HIS . 6893 1 116 488 GLU . 6893 1 117 489 PHE . 6893 1 118 490 ASP . 6893 1 119 491 GLY . 6893 1 120 492 ARG . 6893 1 121 493 THR . 6893 1 122 494 GLY . 6893 1 123 495 LEU . 6893 1 124 496 ALA . 6893 1 125 497 PRO . 6893 1 126 498 GLU . 6893 1 127 499 PHE . 6893 1 128 500 ALA . 6893 1 129 501 ALA . 6893 1 130 502 LEU . 6893 1 131 503 GLY . 6893 1 132 504 GLU . 6893 1 133 505 SER . 6893 1 134 506 GLY . 6893 1 135 507 SER . 6893 1 136 508 SER . 6893 1 137 509 SER . 6893 1 138 510 SER . 6893 1 139 511 LYS . 6893 1 140 512 THR . 6893 1 141 513 SER . 6893 1 142 514 THR . 6893 1 143 515 HIS . 6893 1 144 516 SER . 6893 1 145 517 LYS . 6893 1 146 518 GLN . 6893 1 147 519 PHE . 6893 1 148 520 VAL . 6893 1 149 521 SER . 6893 1 150 522 SER . 6893 1 151 523 SER . 6893 1 152 524 THR . 6893 1 153 525 THR . 6893 1 154 526 VAL . 6893 1 155 527 ASN . 6893 1 156 528 ARG . 6893 1 157 529 GLY . 6893 1 158 530 GLY . 6893 1 159 531 SER . 6893 1 160 532 ALA . 6893 1 161 533 ILE . 6893 1 162 534 GLU . 6893 1 163 535 SER . 6893 1 164 536 LYS . 6893 1 165 537 HIS . 6893 1 166 538 PHE . 6893 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 6893 1 . GLY 2 2 6893 1 . THR 3 3 6893 1 . PHE 4 4 6893 1 . ARG 5 5 6893 1 . GLU 6 6 6893 1 . GLU 7 7 6893 1 . GLY 8 8 6893 1 . SER 9 9 6893 1 . VAL 10 10 6893 1 . SER 11 11 6893 1 . SER 12 12 6893 1 . GLY 13 13 6893 1 . THR 14 14 6893 1 . LYS 15 15 6893 1 . GLN 16 16 6893 1 . GLU 17 17 6893 1 . PHE 18 18 6893 1 . HIS 19 19 6893 1 . THR 20 20 6893 1 . GLY 21 21 6893 1 . LYS 22 22 6893 1 . LEU 23 23 6893 1 . VAL 24 24 6893 1 . THR 25 25 6893 1 . THR 26 26 6893 1 . LYS 27 27 6893 1 . GLY 28 28 6893 1 . ASP 29 29 6893 1 . LYS 30 30 6893 1 . GLU 31 31 6893 1 . LEU 32 32 6893 1 . LEU 33 33 6893 1 . ILE 34 34 6893 1 . ASP 35 35 6893 1 . ASN 36 36 6893 1 . GLU 37 37 6893 1 . LYS 38 38 6893 1 . VAL 39 39 6893 1 . THR 40 40 6893 1 . SER 41 41 6893 1 . GLY 42 42 6893 1 . HIS 43 43 6893 1 . THR 44 44 6893 1 . THR 45 45 6893 1 . THR 46 46 6893 1 . THR 47 47 6893 1 . ARG 48 48 6893 1 . ARG 49 49 6893 1 . SER 50 50 6893 1 . CYS 51 51 6893 1 . SER 52 52 6893 1 . LYS 53 53 6893 1 . VAL 54 54 6893 1 . ILE 55 55 6893 1 . THR 56 56 6893 1 . LYS 57 57 6893 1 . THR 58 58 6893 1 . VAL 59 59 6893 1 . THR 60 60 6893 1 . ASN 61 61 6893 1 . ALA 62 62 6893 1 . ASP 63 63 6893 1 . GLY 64 64 6893 1 . ARG 65 65 6893 1 . THR 66 66 6893 1 . GLU 67 67 6893 1 . THR 68 68 6893 1 . THR 69 69 6893 1 . LYS 70 70 6893 1 . GLU 71 71 6893 1 . VAL 72 72 6893 1 . VAL 73 73 6893 1 . LYS 74 74 6893 1 . SER 75 75 6893 1 . GLU 76 76 6893 1 . ASP 77 77 6893 1 . GLY 78 78 6893 1 . SER 79 79 6893 1 . ASP 80 80 6893 1 . CYS 81 81 6893 1 . GLY 82 82 6893 1 . ASP 83 83 6893 1 . ALA 84 84 6893 1 . ASP 85 85 6893 1 . PHE 86 86 6893 1 . ASP 87 87 6893 1 . TRP 88 88 6893 1 . HIS 89 89 6893 1 . HIS 90 90 6893 1 . THR 91 91 6893 1 . PHE 92 92 6893 1 . PRO 93 93 6893 1 . SER 94 94 6893 1 . ARG 95 95 6893 1 . GLY 96 96 6893 1 . ASN 97 97 6893 1 . LEU 98 98 6893 1 . ASP 99 99 6893 1 . ASP 100 100 6893 1 . PHE 101 101 6893 1 . PHE 102 102 6893 1 . HIS 103 103 6893 1 . ARG 104 104 6893 1 . ASP 105 105 6893 1 . LYS 106 106 6893 1 . ASP 107 107 6893 1 . ASP 108 108 6893 1 . PHE 109 109 6893 1 . PHE 110 110 6893 1 . THR 111 111 6893 1 . ARG 112 112 6893 1 . SER 113 113 6893 1 . SER 114 114 6893 1 . HIS 115 115 6893 1 . GLU 116 116 6893 1 . PHE 117 117 6893 1 . ASP 118 118 6893 1 . GLY 119 119 6893 1 . ARG 120 120 6893 1 . THR 121 121 6893 1 . GLY 122 122 6893 1 . LEU 123 123 6893 1 . ALA 124 124 6893 1 . PRO 125 125 6893 1 . GLU 126 126 6893 1 . PHE 127 127 6893 1 . ALA 128 128 6893 1 . ALA 129 129 6893 1 . LEU 130 130 6893 1 . GLY 131 131 6893 1 . GLU 132 132 6893 1 . SER 133 133 6893 1 . GLY 134 134 6893 1 . SER 135 135 6893 1 . SER 136 136 6893 1 . SER 137 137 6893 1 . SER 138 138 6893 1 . LYS 139 139 6893 1 . THR 140 140 6893 1 . SER 141 141 6893 1 . THR 142 142 6893 1 . HIS 143 143 6893 1 . SER 144 144 6893 1 . LYS 145 145 6893 1 . GLN 146 146 6893 1 . PHE 147 147 6893 1 . VAL 148 148 6893 1 . SER 149 149 6893 1 . SER 150 150 6893 1 . SER 151 151 6893 1 . THR 152 152 6893 1 . THR 153 153 6893 1 . VAL 154 154 6893 1 . ASN 155 155 6893 1 . ARG 156 156 6893 1 . GLY 157 157 6893 1 . GLY 158 158 6893 1 . SER 159 159 6893 1 . ALA 160 160 6893 1 . ILE 161 161 6893 1 . GLU 162 162 6893 1 . SER 163 163 6893 1 . LYS 164 164 6893 1 . HIS 165 165 6893 1 . PHE 166 166 6893 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 6893 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Fibrinogen_alpha . 9913 . . 'Bos taurus' Cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . 6893 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 6893 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Fibrinogen_alpha . 'recombinant technology' . . . . . . . . . . . . . . . . 6893 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6893 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Fibrinogen alpha chain' '[U-15N; U-13C]' . . 1 $Fibrinogen_alpha . . 0.2 . . mM . . . . 6893 1 2 'phosphate buffer' . . . . . . . 10 . . mM . . . . 6893 1 3 NaCl . . . . . . . 150 . . mM . . . . 6893 1 4 H20 . . . . . . . 90 . . % . . . . 6893 1 5 D20 . . . . . . . 10 . . % . . . . 6893 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6893 _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' 150 . mM 6893 1 pH 6.0 . pH 6893 1 pressure 1 . atm 6893 1 temperature 298 . K 6893 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6893 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6893 _Software.ID 2 _Software.Type . _Software.Name X-PLOR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6893 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6893 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6893 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 600 . . . 6893 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 6893 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6893 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6893 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP . . . . . ppm . . . . . . . . . 6893 1 H 1 TSP . . . . . ppm . . . . . . . . . 6893 1 N 15 TSP . . . . . ppm . . . . . . . . . 6893 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6893 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 NOESY 1 $sample_1 . 6893 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HB2 H 1 2.078 0.000 . 2 . . . . . . . . . 6893 1 2 . 1 1 2 2 GLY CA C 13 45.288 0.033 . 1 . . . . . . . . . 6893 1 3 . 1 1 2 2 GLY H H 1 8.276 0.004 . 1 . . . . . . . . . 6893 1 4 . 1 1 2 2 GLY N N 15 113.990 0.014 . 1 . . . . . . . . . 6893 1 5 . 1 1 3 3 THR CA C 13 61.737 0.067 . 1 . . . . . . . . . 6893 1 6 . 1 1 3 3 THR CB C 13 69.660 0.054 . 1 . . . . . . . . . 6893 1 7 . 1 1 3 3 THR H H 1 8.041 0.002 . 1 . . . . . . . . . 6893 1 8 . 1 1 3 3 THR N N 15 113.724 0.010 . 1 . . . . . . . . . 6893 1 9 . 1 1 4 4 PHE CA C 13 57.765 0.007 . 1 . . . . . . . . . 6893 1 10 . 1 1 4 4 PHE CB C 13 39.331 0.029 . 1 . . . . . . . . . 6893 1 11 . 1 1 4 4 PHE HA H 1 4.636 0.000 . 1 . . . . . . . . . 6893 1 12 . 1 1 4 4 PHE HB2 H 1 3.100 0.000 . 2 . . . . . . . . . 6893 1 13 . 1 1 4 4 PHE H H 1 8.322 0.002 . 1 . . . . . . . . . 6893 1 14 . 1 1 4 4 PHE N N 15 122.426 0.014 . 1 . . . . . . . . . 6893 1 15 . 1 1 5 5 ARG CA C 13 55.666 0.058 . 1 . . . . . . . . . 6893 1 16 . 1 1 5 5 ARG CB C 13 30.829 0.161 . 1 . . . . . . . . . 6893 1 17 . 1 1 5 5 ARG H H 1 8.080 0.012 . 1 . . . . . . . . . 6893 1 18 . 1 1 5 5 ARG N N 15 123.107 0.186 . 1 . . . . . . . . . 6893 1 19 . 1 1 6 6 GLU CA C 13 56.028 0.191 . 1 . . . . . . . . . 6893 1 20 . 1 1 6 6 GLU CB C 13 30.636 0.464 . 1 . . . . . . . . . 6893 1 21 . 1 1 6 6 GLU CG C 13 35.996 0.000 . 1 . . . . . . . . . 6893 1 22 . 1 1 6 6 GLU HA H 1 4.243 0.000 . 1 . . . . . . . . . 6893 1 23 . 1 1 6 6 GLU HB2 H 1 2.274 0.000 . 2 . . . . . . . . . 6893 1 24 . 1 1 6 6 GLU HG2 H 1 2.274 0.000 . 2 . . . . . . . . . 6893 1 25 . 1 1 6 6 GLU H H 1 8.449 0.002 . 1 . . . . . . . . . 6893 1 26 . 1 1 6 6 GLU N N 15 122.908 0.010 . 1 . . . . . . . . . 6893 1 27 . 1 1 7 7 GLU CA C 13 56.754 0.065 . 1 . . . . . . . . . 6893 1 28 . 1 1 7 7 GLU CB C 13 30.178 0.006 . 1 . . . . . . . . . 6893 1 29 . 1 1 7 7 GLU CG C 13 36.013 0.000 . 1 . . . . . . . . . 6893 1 30 . 1 1 7 7 GLU HA H 1 4.274 0.000 . 1 . . . . . . . . . 6893 1 31 . 1 1 7 7 GLU HB2 H 1 2.289 0.000 . 2 . . . . . . . . . 6893 1 32 . 1 1 7 7 GLU HG2 H 1 2.294 0.000 . 2 . . . . . . . . . 6893 1 33 . 1 1 7 7 GLU H H 1 8.561 0.008 . 1 . . . . . . . . . 6893 1 34 . 1 1 7 7 GLU N N 15 122.497 0.008 . 1 . . . . . . . . . 6893 1 35 . 1 1 8 8 GLY CA C 13 45.236 0.032 . 1 . . . . . . . . . 6893 1 36 . 1 1 8 8 GLY HA2 H 1 4.012 0.000 . 2 . . . . . . . . . 6893 1 37 . 1 1 8 8 GLY H H 1 8.472 0.005 . 1 . . . . . . . . . 6893 1 38 . 1 1 8 8 GLY N N 15 109.797 0.056 . 1 . . . . . . . . . 6893 1 39 . 1 1 9 9 SER CA C 13 58.145 0.006 . 1 . . . . . . . . . 6893 1 40 . 1 1 9 9 SER CB C 13 63.769 0.010 . 1 . . . . . . . . . 6893 1 41 . 1 1 9 9 SER HA H 1 4.510 0.000 . 1 . . . . . . . . . 6893 1 42 . 1 1 9 9 SER HB2 H 1 3.886 0.000 . 2 . . . . . . . . . 6893 1 43 . 1 1 9 9 SER H H 1 8.214 0.006 . 1 . . . . . . . . . 6893 1 44 . 1 1 9 9 SER N N 15 115.298 0.010 . 1 . . . . . . . . . 6893 1 45 . 1 1 10 10 VAL CA C 13 62.143 0.017 . 1 . . . . . . . . . 6893 1 46 . 1 1 10 10 VAL CB C 13 32.716 0.018 . 1 . . . . . . . . . 6893 1 47 . 1 1 10 10 VAL CG1 C 13 20.564 0.000 . 2 . . . . . . . . . 6893 1 48 . 1 1 10 10 VAL HA H 1 4.218 0.000 . 1 . . . . . . . . . 6893 1 49 . 1 1 10 10 VAL HB H 1 2.138 0.000 . 1 . . . . . . . . . 6893 1 50 . 1 1 10 10 VAL HG21 H 1 0.990 0.000 . 1 . . . . . . . . . 6893 1 51 . 1 1 10 10 VAL HG22 H 1 0.990 0.000 . 1 . . . . . . . . . 6893 1 52 . 1 1 10 10 VAL HG23 H 1 0.990 0.000 . 1 . . . . . . . . . 6893 1 53 . 1 1 10 10 VAL H H 1 8.199 0.002 . 1 . . . . . . . . . 6893 1 54 . 1 1 10 10 VAL N N 15 121.204 0.012 . 1 . . . . . . . . . 6893 1 55 . 1 1 11 11 SER CA C 13 58.117 0.022 . 1 . . . . . . . . . 6893 1 56 . 1 1 11 11 SER CB C 13 63.584 0.020 . 1 . . . . . . . . . 6893 1 57 . 1 1 11 11 SER HA H 1 4.520 0.000 . 1 . . . . . . . . . 6893 1 58 . 1 1 11 11 SER HB2 H 1 3.896 0.000 . 2 . . . . . . . . . 6893 1 59 . 1 1 11 11 SER H H 1 8.409 0.006 . 1 . . . . . . . . . 6893 1 60 . 1 1 11 11 SER N N 15 118.906 0.012 . 1 . . . . . . . . . 6893 1 61 . 1 1 12 12 SER CA C 13 58.510 0.021 . 1 . . . . . . . . . 6893 1 62 . 1 1 12 12 SER CB C 13 63.547 0.035 . 1 . . . . . . . . . 6893 1 63 . 1 1 12 12 SER HA H 1 4.465 0.000 . 1 . . . . . . . . . 6893 1 64 . 1 1 12 12 SER HB2 H 1 3.911 0.000 . 2 . . . . . . . . . 6893 1 65 . 1 1 12 12 SER H H 1 8.428 0.002 . 1 . . . . . . . . . 6893 1 66 . 1 1 12 12 SER N N 15 117.592 0.019 . 1 . . . . . . . . . 6893 1 67 . 1 1 13 13 GLY CA C 13 45.725 0.143 . 1 . . . . . . . . . 6893 1 68 . 1 1 13 13 GLY HA2 H 1 3.883 0.000 . 2 . . . . . . . . . 6893 1 69 . 1 1 13 13 GLY H H 1 8.411 0.006 . 1 . . . . . . . . . 6893 1 70 . 1 1 13 13 GLY N N 15 110.283 0.099 . 1 . . . . . . . . . 6893 1 71 . 1 1 14 14 THR CA C 13 61.694 0.000 . 1 . . . . . . . . . 6893 1 72 . 1 1 14 14 THR CB C 13 69.671 0.000 . 1 . . . . . . . . . 6893 1 73 . 1 1 14 14 THR H H 1 7.969 0.006 . 1 . . . . . . . . . 6893 1 74 . 1 1 14 14 THR N N 15 112.529 0.008 . 1 . . . . . . . . . 6893 1 75 . 1 1 17 17 GLU CA C 13 56.922 0.000 . 1 . . . . . . . . . 6893 1 76 . 1 1 17 17 GLU CB C 13 29.678 0.000 . 1 . . . . . . . . . 6893 1 77 . 1 1 17 17 GLU CG C 13 35.963 0.000 . 1 . . . . . . . . . 6893 1 78 . 1 1 17 17 GLU HA H 1 4.133 0.000 . 1 . . . . . . . . . 6893 1 79 . 1 1 17 17 GLU HB2 H 1 2.022 0.000 . 2 . . . . . . . . . 6893 1 80 . 1 1 17 17 GLU HG2 H 1 2.108 0.000 . 2 . . . . . . . . . 6893 1 81 . 1 1 18 18 PHE CA C 13 58.645 0.000 . 1 . . . . . . . . . 6893 1 82 . 1 1 18 18 PHE CB C 13 39.020 0.000 . 1 . . . . . . . . . 6893 1 83 . 1 1 18 18 PHE H H 1 8.017 0.007 . 1 . . . . . . . . . 6893 1 84 . 1 1 18 18 PHE N N 15 119.550 0.073 . 1 . . . . . . . . . 6893 1 85 . 1 1 19 19 HIS CA C 13 55.444 0.000 . 1 . . . . . . . . . 6893 1 86 . 1 1 19 19 HIS CB C 13 30.001 0.000 . 1 . . . . . . . . . 6893 1 87 . 1 1 19 19 HIS HA H 1 4.546 0.000 . 1 . . . . . . . . . 6893 1 88 . 1 1 19 19 HIS HB2 H 1 3.151 0.000 . 2 . . . . . . . . . 6893 1 89 . 1 1 20 20 THR CA C 13 61.932 0.050 . 1 . . . . . . . . . 6893 1 90 . 1 1 20 20 THR CB C 13 69.519 0.030 . 1 . . . . . . . . . 6893 1 91 . 1 1 20 20 THR CG2 C 13 21.593 0.000 . 2 . . . . . . . . . 6893 1 92 . 1 1 20 20 THR HA H 1 4.339 0.000 . 1 . . . . . . . . . 6893 1 93 . 1 1 20 20 THR HG21 H 1 1.212 0.000 . 1 . . . . . . . . . 6893 1 94 . 1 1 20 20 THR HG22 H 1 1.212 0.000 . 1 . . . . . . . . . 6893 1 95 . 1 1 20 20 THR HG23 H 1 1.212 0.000 . 1 . . . . . . . . . 6893 1 96 . 1 1 20 20 THR H H 1 8.182 0.005 . 1 . . . . . . . . . 6893 1 97 . 1 1 20 20 THR N N 15 114.909 0.021 . 1 . . . . . . . . . 6893 1 98 . 1 1 21 21 GLY CA C 13 45.120 0.028 . 1 . . . . . . . . . 6893 1 99 . 1 1 21 21 GLY HA2 H 1 3.981 0.000 . 2 . . . . . . . . . 6893 1 100 . 1 1 21 21 GLY H H 1 8.351 0.005 . 1 . . . . . . . . . 6893 1 101 . 1 1 21 21 GLY N N 15 110.728 0.090 . 1 . . . . . . . . . 6893 1 102 . 1 1 22 22 LYS CA C 13 55.983 0.009 . 1 . . . . . . . . . 6893 1 103 . 1 1 22 22 LYS CB C 13 33.183 0.042 . 1 . . . . . . . . . 6893 1 104 . 1 1 22 22 LYS H H 1 8.118 0.004 . 1 . . . . . . . . . 6893 1 105 . 1 1 22 22 LYS N N 15 120.592 0.018 . 1 . . . . . . . . . 6893 1 106 . 1 1 23 23 LEU CA C 13 55.023 0.016 . 1 . . . . . . . . . 6893 1 107 . 1 1 23 23 LEU CB C 13 42.218 0.005 . 1 . . . . . . . . . 6893 1 108 . 1 1 23 23 LEU CD1 C 13 24.198 0.000 . 1 . . . . . . . . . 6893 1 109 . 1 1 23 23 LEU CG C 13 26.952 0.000 . 1 . . . . . . . . . 6893 1 110 . 1 1 23 23 LEU HA H 1 4.400 0.000 . 1 . . . . . . . . . 6893 1 111 . 1 1 23 23 LEU HB2 H 1 1.584 0.000 . 2 . . . . . . . . . 6893 1 112 . 1 1 23 23 LEU HD21 H 1 0.908 0.000 . 2 . . . . . . . . . 6893 1 113 . 1 1 23 23 LEU HD22 H 1 0.908 0.000 . 2 . . . . . . . . . 6893 1 114 . 1 1 23 23 LEU HD23 H 1 0.908 0.000 . 2 . . . . . . . . . 6893 1 115 . 1 1 23 23 LEU H H 1 8.291 0.002 . 1 . . . . . . . . . 6893 1 116 . 1 1 23 23 LEU N N 15 123.651 0.026 . 1 . . . . . . . . . 6893 1 117 . 1 1 24 24 VAL CA C 13 62.027 0.021 . 1 . . . . . . . . . 6893 1 118 . 1 1 24 24 VAL CB C 13 32.787 0.004 . 1 . . . . . . . . . 6893 1 119 . 1 1 24 24 VAL CG1 C 13 20.945 0.000 . 2 . . . . . . . . . 6893 1 120 . 1 1 24 24 VAL HB H 1 2.073 0.000 . 1 . . . . . . . . . 6893 1 121 . 1 1 24 24 VAL H H 1 8.219 0.006 . 1 . . . . . . . . . 6893 1 122 . 1 1 24 24 VAL N N 15 122.088 0.014 . 1 . . . . . . . . . 6893 1 123 . 1 1 24 24 VAL HA H 1 4.400 0.000 . 1 . . . . . . . . . 6893 1 124 . 1 1 24 24 VAL HG11 H 1 1.217 0.000 . 2 . . . . . . . . . 6893 1 125 . 1 1 24 24 VAL HG12 H 1 1.217 0.000 . 2 . . . . . . . . . 6893 1 126 . 1 1 24 24 VAL HG13 H 1 1.217 0.000 . 2 . . . . . . . . . 6893 1 127 . 1 1 25 25 THR CA C 13 61.410 0.007 . 1 . . . . . . . . . 6893 1 128 . 1 1 25 25 THR CB C 13 69.696 0.002 . 1 . . . . . . . . . 6893 1 129 . 1 1 25 25 THR CG2 C 13 21.493 0.000 . 1 . . . . . . . . . 6893 1 130 . 1 1 25 25 THR HA H 1 4.490 0.000 . 1 . . . . . . . . . 6893 1 131 . 1 1 25 25 THR HG21 H 1 1.196 0.000 . 1 . . . . . . . . . 6893 1 132 . 1 1 25 25 THR HG22 H 1 1.196 0.000 . 1 . . . . . . . . . 6893 1 133 . 1 1 25 25 THR HG23 H 1 1.196 0.000 . 1 . . . . . . . . . 6893 1 134 . 1 1 25 25 THR H H 1 8.293 0.006 . 1 . . . . . . . . . 6893 1 135 . 1 1 25 25 THR N N 15 118.002 0.020 . 1 . . . . . . . . . 6893 1 136 . 1 1 26 26 THR CA C 13 61.445 0.033 . 1 . . . . . . . . . 6893 1 137 . 1 1 26 26 THR CB C 13 69.684 0.019 . 1 . . . . . . . . . 6893 1 138 . 1 1 26 26 THR CG2 C 13 21.526 0.000 . 1 . . . . . . . . . 6893 1 139 . 1 1 26 26 THR HA H 1 4.394 0.000 . 1 . . . . . . . . . 6893 1 140 . 1 1 26 26 THR HB H 1 4.384 0.000 . 1 . . . . . . . . . 6893 1 141 . 1 1 26 26 THR HG21 H 1 1.201 0.000 . 1 . . . . . . . . . 6893 1 142 . 1 1 26 26 THR HG22 H 1 1.201 0.000 . 1 . . . . . . . . . 6893 1 143 . 1 1 26 26 THR HG23 H 1 1.201 0.000 . 1 . . . . . . . . . 6893 1 144 . 1 1 26 26 THR H H 1 8.203 0.004 . 1 . . . . . . . . . 6893 1 145 . 1 1 26 26 THR N N 15 116.406 0.009 . 1 . . . . . . . . . 6893 1 146 . 1 1 27 27 LYS CA C 13 56.439 0.000 . 1 . . . . . . . . . 6893 1 147 . 1 1 27 27 LYS CB C 13 33.087 0.028 . 1 . . . . . . . . . 6893 1 148 . 1 1 27 27 LYS CD C 13 28.861 0.000 . 1 . . . . . . . . . 6893 1 149 . 1 1 27 27 LYS CE C 13 42.136 0.000 . 1 . . . . . . . . . 6893 1 150 . 1 1 27 27 LYS CG C 13 24.497 0.000 . 1 . . . . . . . . . 6893 1 151 . 1 1 27 27 LYS HA H 1 4.475 0.000 . 1 . . . . . . . . . 6893 1 152 . 1 1 27 27 LYS HB2 H 1 1.811 0.000 . 2 . . . . . . . . . 6893 1 153 . 1 1 27 27 LYS HD2 H 1 1.453 0.000 . 2 . . . . . . . . . 6893 1 154 . 1 1 27 27 LYS HE2 H 1 2.994 0.000 . 2 . . . . . . . . . 6893 1 155 . 1 1 27 27 LYS HG2 H 1 1.695 0.000 . 2 . . . . . . . . . 6893 1 156 . 1 1 27 27 LYS H H 1 8.394 0.004 . 1 . . . . . . . . . 6893 1 157 . 1 1 27 27 LYS N N 15 123.435 0.045 . 1 . . . . . . . . . 6893 1 158 . 1 1 28 28 GLY CA C 13 45.159 0.025 . 1 . . . . . . . . . 6893 1 159 . 1 1 28 28 GLY HA2 H 1 3.931 0.000 . 2 . . . . . . . . . 6893 1 160 . 1 1 28 28 GLY H H 1 8.437 0.004 . 1 . . . . . . . . . 6893 1 161 . 1 1 28 28 GLY N N 15 110.000 0.041 . 1 . . . . . . . . . 6893 1 162 . 1 1 29 29 ASP CA C 13 53.161 0.000 . 1 . . . . . . . . . 6893 1 163 . 1 1 29 29 ASP CB C 13 38.854 0.000 . 1 . . . . . . . . . 6893 1 164 . 1 1 29 29 ASP H H 1 8.336 0.005 . 1 . . . . . . . . . 6893 1 165 . 1 1 29 29 ASP N N 15 118.415 0.013 . 1 . . . . . . . . . 6893 1 166 . 1 1 32 32 LEU CA C 13 55.644 0.000 . 1 . . . . . . . . . 6893 1 167 . 1 1 32 32 LEU CB C 13 41.065 0.000 . 1 . . . . . . . . . 6893 1 168 . 1 1 32 32 LEU CD1 C 13 24.248 0.000 . 1 . . . . . . . . . 6893 1 169 . 1 1 32 32 LEU CG C 13 26.604 0.000 . 1 . . . . . . . . . 6893 1 170 . 1 1 32 32 LEU HA H 1 4.265 0.000 . 1 . . . . . . . . . 6893 1 171 . 1 1 32 32 LEU HB2 H 1 2.274 0.000 . 2 . . . . . . . . . 6893 1 172 . 1 1 32 32 LEU HD21 H 1 0.880 0.000 . 2 . . . . . . . . . 6893 1 173 . 1 1 32 32 LEU HD22 H 1 0.880 0.000 . 2 . . . . . . . . . 6893 1 174 . 1 1 32 32 LEU HD23 H 1 0.880 0.000 . 2 . . . . . . . . . 6893 1 175 . 1 1 32 32 LEU HG H 1 1.607 0.002 . 1 . . . . . . . . . 6893 1 176 . 1 1 33 33 LEU CA C 13 54.880 0.016 . 1 . . . . . . . . . 6893 1 177 . 1 1 33 33 LEU CB C 13 41.928 0.074 . 1 . . . . . . . . . 6893 1 178 . 1 1 33 33 LEU CD1 C 13 23.999 0.000 . 1 . . . . . . . . . 6893 1 179 . 1 1 33 33 LEU CG C 13 26.836 0.000 . 1 . . . . . . . . . 6893 1 180 . 1 1 33 33 LEU HA H 1 4.405 0.000 . 1 . . . . . . . . . 6893 1 181 . 1 1 33 33 LEU HB2 H 1 1.599 0.000 . 2 . . . . . . . . . 6893 1 182 . 1 1 33 33 LEU HD21 H 1 0.923 0.000 . 2 . . . . . . . . . 6893 1 183 . 1 1 33 33 LEU HD22 H 1 0.923 0.000 . 2 . . . . . . . . . 6893 1 184 . 1 1 33 33 LEU HD23 H 1 0.923 0.000 . 2 . . . . . . . . . 6893 1 185 . 1 1 33 33 LEU H H 1 8.190 0.009 . 1 . . . . . . . . . 6893 1 186 . 1 1 33 33 LEU N N 15 119.307 0.017 . 1 . . . . . . . . . 6893 1 187 . 1 1 34 34 ILE CA C 13 60.788 0.029 . 1 . . . . . . . . . 6893 1 188 . 1 1 34 34 ILE CB C 13 38.802 0.004 . 1 . . . . . . . . . 6893 1 189 . 1 1 34 34 ILE CD1 C 13 18.423 0.000 . 1 . . . . . . . . . 6893 1 190 . 1 1 34 34 ILE CG1 C 13 26.969 0.000 . 1 . . . . . . . . . 6893 1 191 . 1 1 34 34 ILE CG2 C 13 21.443 0.000 . 1 . . . . . . . . . 6893 1 192 . 1 1 34 34 ILE HA H 1 4.364 0.000 . 1 . . . . . . . . . 6893 1 193 . 1 1 34 34 ILE HB H 1 1.855 0.000 . 1 . . . . . . . . . 6893 1 194 . 1 1 34 34 ILE HD11 H 1 0.919 0.000 . 1 . . . . . . . . . 6893 1 195 . 1 1 34 34 ILE HD12 H 1 0.919 0.000 . 1 . . . . . . . . . 6893 1 196 . 1 1 34 34 ILE HD13 H 1 0.919 0.000 . 1 . . . . . . . . . 6893 1 197 . 1 1 34 34 ILE HG21 H 1 1.196 0.000 . 1 . . . . . . . . . 6893 1 198 . 1 1 34 34 ILE HG22 H 1 1.196 0.000 . 1 . . . . . . . . . 6893 1 199 . 1 1 34 34 ILE HG23 H 1 1.196 0.000 . 1 . . . . . . . . . 6893 1 200 . 1 1 34 34 ILE H H 1 8.035 0.005 . 1 . . . . . . . . . 6893 1 201 . 1 1 34 34 ILE N N 15 121.516 0.041 . 1 . . . . . . . . . 6893 1 202 . 1 1 35 35 ASP CA C 13 54.196 0.000 . 1 . . . . . . . . . 6893 1 203 . 1 1 35 35 ASP CB C 13 41.015 0.000 . 1 . . . . . . . . . 6893 1 204 . 1 1 35 35 ASP H H 1 8.368 0.004 . 1 . . . . . . . . . 6893 1 205 . 1 1 35 35 ASP N N 15 124.015 0.027 . 1 . . . . . . . . . 6893 1 206 . 1 1 37 37 GLU CA C 13 56.822 0.000 . 1 . . . . . . . . . 6893 1 207 . 1 1 37 37 GLU CB C 13 29.872 0.000 . 1 . . . . . . . . . 6893 1 208 . 1 1 37 37 GLU CG C 13 36.029 0.000 . 1 . . . . . . . . . 6893 1 209 . 1 1 37 37 GLU HA H 1 4.248 0.000 . 1 . . . . . . . . . 6893 1 210 . 1 1 37 37 GLU HB2 H 1 2.224 0.000 . 2 . . . . . . . . . 6893 1 211 . 1 1 37 37 GLU HG2 H 1 2.304 0.000 . 2 . . . . . . . . . 6893 1 212 . 1 1 38 38 LYS CA C 13 56.349 0.007 . 1 . . . . . . . . . 6893 1 213 . 1 1 38 38 LYS CB C 13 32.746 0.020 . 1 . . . . . . . . . 6893 1 214 . 1 1 38 38 LYS CD C 13 28.778 0.000 . 1 . . . . . . . . . 6893 1 215 . 1 1 38 38 LYS CE C 13 42.169 0.000 . 1 . . . . . . . . . 6893 1 216 . 1 1 38 38 LYS CG C 13 24.812 0.000 . 1 . . . . . . . . . 6893 1 217 . 1 1 38 38 LYS HA H 1 3.976 0.000 . 1 . . . . . . . . . 6893 1 218 . 1 1 38 38 LYS HB2 H 1 1.811 0.000 . 2 . . . . . . . . . 6893 1 219 . 1 1 38 38 LYS HD2 H 1 1.690 0.000 . 2 . . . . . . . . . 6893 1 220 . 1 1 38 38 LYS HE2 H 1 3.000 0.000 . 2 . . . . . . . . . 6893 1 221 . 1 1 38 38 LYS HG2 H 1 1.393 0.000 . 2 . . . . . . . . . 6893 1 222 . 1 1 38 38 LYS H H 1 8.140 0.009 . 1 . . . . . . . . . 6893 1 223 . 1 1 38 38 LYS N N 15 121.012 0.017 . 1 . . . . . . . . . 6893 1 224 . 1 1 39 39 VAL CA C 13 62.410 0.020 . 1 . . . . . . . . . 6893 1 225 . 1 1 39 39 VAL CB C 13 32.718 0.008 . 1 . . . . . . . . . 6893 1 226 . 1 1 39 39 VAL CG1 C 13 20.846 0.000 . 1 . . . . . . . . . 6893 1 227 . 1 1 39 39 VAL HA H 1 4.435 0.000 . 1 . . . . . . . . . 6893 1 228 . 1 1 39 39 VAL HB H 1 2.108 0.000 . 1 . . . . . . . . . 6893 1 229 . 1 1 39 39 VAL HG21 H 1 0.989 0.000 . 2 . . . . . . . . . 6893 1 230 . 1 1 39 39 VAL HG22 H 1 0.989 0.000 . 2 . . . . . . . . . 6893 1 231 . 1 1 39 39 VAL HG23 H 1 0.989 0.000 . 2 . . . . . . . . . 6893 1 232 . 1 1 39 39 VAL H H 1 8.074 0.006 . 1 . . . . . . . . . 6893 1 233 . 1 1 39 39 VAL N N 15 120.633 0.086 . 1 . . . . . . . . . 6893 1 234 . 1 1 40 40 THR CA C 13 61.625 0.000 . 1 . . . . . . . . . 6893 1 235 . 1 1 40 40 THR CB C 13 69.550 0.059 . 1 . . . . . . . . . 6893 1 236 . 1 1 40 40 THR CG2 C 13 20.896 0.000 . 2 . . . . . . . . . 6893 1 237 . 1 1 40 40 THR HA H 1 4.525 0.000 . 1 . . . . . . . . . 6893 1 238 . 1 1 40 40 THR HB H 1 4.389 0.000 . 1 . . . . . . . . . 6893 1 239 . 1 1 40 40 THR HG21 H 1 0.978 0.000 . 1 . . . . . . . . . 6893 1 240 . 1 1 40 40 THR HG22 H 1 0.978 0.000 . 1 . . . . . . . . . 6893 1 241 . 1 1 40 40 THR HG23 H 1 0.978 0.000 . 1 . . . . . . . . . 6893 1 242 . 1 1 40 40 THR H H 1 8.238 0.003 . 1 . . . . . . . . . 6893 1 243 . 1 1 40 40 THR N N 15 117.098 0.007 . 1 . . . . . . . . . 6893 1 244 . 1 1 41 41 SER CA C 13 58.532 0.007 . 1 . . . . . . . . . 6893 1 245 . 1 1 41 41 SER CB C 13 63.573 0.077 . 1 . . . . . . . . . 6893 1 246 . 1 1 41 41 SER HA H 1 4.480 0.000 . 1 . . . . . . . . . 6893 1 247 . 1 1 41 41 SER HB2 H 1 3.886 0.000 . 2 . . . . . . . . . 6893 1 248 . 1 1 41 41 SER H H 1 8.285 0.007 . 1 . . . . . . . . . 6893 1 249 . 1 1 41 41 SER N N 15 117.602 0.005 . 1 . . . . . . . . . 6893 1 250 . 1 1 42 42 GLY CA C 13 45.236 0.063 . 1 . . . . . . . . . 6893 1 251 . 1 1 42 42 GLY HA2 H 1 3.956 0.000 . 2 . . . . . . . . . 6893 1 252 . 1 1 42 42 GLY H H 1 8.400 0.010 . 1 . . . . . . . . . 6893 1 253 . 1 1 42 42 GLY N N 15 110.152 0.113 . 1 . . . . . . . . . 6893 1 254 . 1 1 43 43 HIS CA C 13 55.537 0.007 . 1 . . . . . . . . . 6893 1 255 . 1 1 43 43 HIS CB C 13 29.835 0.027 . 1 . . . . . . . . . 6893 1 256 . 1 1 43 43 HIS HA H 1 4.510 0.000 . 1 . . . . . . . . . 6893 1 257 . 1 1 43 43 HIS HB2 H 1 3.135 0.000 . 2 . . . . . . . . . 6893 1 258 . 1 1 43 43 HIS H H 1 8.263 0.004 . 1 . . . . . . . . . 6893 1 259 . 1 1 43 43 HIS N N 15 118.372 0.057 . 1 . . . . . . . . . 6893 1 260 . 1 1 44 44 THR CA C 13 61.708 0.009 . 1 . . . . . . . . . 6893 1 261 . 1 1 44 44 THR CB C 13 69.715 0.050 . 1 . . . . . . . . . 6893 1 262 . 1 1 44 44 THR CG2 C 13 21.526 0.000 . 1 . . . . . . . . . 6893 1 263 . 1 1 44 44 THR HA H 1 4.465 0.000 . 1 . . . . . . . . . 6893 1 264 . 1 1 44 44 THR HG21 H 1 1.191 0.000 . 1 . . . . . . . . . 6893 1 265 . 1 1 44 44 THR HG22 H 1 1.191 0.000 . 1 . . . . . . . . . 6893 1 266 . 1 1 44 44 THR HG23 H 1 1.191 0.000 . 1 . . . . . . . . . 6893 1 267 . 1 1 44 44 THR H H 1 8.231 0.006 . 1 . . . . . . . . . 6893 1 268 . 1 1 44 44 THR N N 15 115.681 0.048 . 1 . . . . . . . . . 6893 1 269 . 1 1 45 45 THR CA C 13 61.681 0.015 . 1 . . . . . . . . . 6893 1 270 . 1 1 45 45 THR CB C 13 69.615 0.050 . 1 . . . . . . . . . 6893 1 271 . 1 1 45 45 THR CG2 C 13 21.493 0.000 . 1 . . . . . . . . . 6893 1 272 . 1 1 45 45 THR HA H 1 4.470 0.000 . 1 . . . . . . . . . 6893 1 273 . 1 1 45 45 THR HG21 H 1 1.207 0.000 . 1 . . . . . . . . . 6893 1 274 . 1 1 45 45 THR HG22 H 1 1.207 0.000 . 1 . . . . . . . . . 6893 1 275 . 1 1 45 45 THR HG23 H 1 1.207 0.000 . 1 . . . . . . . . . 6893 1 276 . 1 1 45 45 THR H H 1 8.310 0.005 . 1 . . . . . . . . . 6893 1 277 . 1 1 45 45 THR N N 15 116.484 0.031 . 1 . . . . . . . . . 6893 1 278 . 1 1 46 46 THR CA C 13 61.642 0.009 . 1 . . . . . . . . . 6893 1 279 . 1 1 46 46 THR CB C 13 69.531 0.017 . 1 . . . . . . . . . 6893 1 280 . 1 1 46 46 THR CG2 C 13 21.443 0.000 . 1 . . . . . . . . . 6893 1 281 . 1 1 46 46 THR HA H 1 4.455 0.000 . 1 . . . . . . . . . 6893 1 282 . 1 1 46 46 THR H H 1 8.249 0.011 . 1 . . . . . . . . . 6893 1 283 . 1 1 46 46 THR N N 15 116.495 0.014 . 1 . . . . . . . . . 6893 1 284 . 1 1 47 47 THR CA C 13 61.957 0.000 . 1 . . . . . . . . . 6893 1 285 . 1 1 47 47 THR CB C 13 69.516 0.000 . 1 . . . . . . . . . 6893 1 286 . 1 1 47 47 THR HG21 H 1 1.222 0.000 . 1 . . . . . . . . . 6893 1 287 . 1 1 47 47 THR HG22 H 1 1.222 0.000 . 1 . . . . . . . . . 6893 1 288 . 1 1 47 47 THR HG23 H 1 1.222 0.000 . 1 . . . . . . . . . 6893 1 289 . 1 1 47 47 THR H H 1 8.123 0.007 . 1 . . . . . . . . . 6893 1 290 . 1 1 47 47 THR N N 15 116.505 0.008 . 1 . . . . . . . . . 6893 1 291 . 1 1 48 48 ARG CA C 13 54.979 0.000 . 1 . . . . . . . . . 6893 1 292 . 1 1 48 48 ARG CB C 13 34.336 0.000 . 1 . . . . . . . . . 6893 1 293 . 1 1 49 49 ARG CA C 13 55.431 0.456 . 1 . . . . . . . . . 6893 1 294 . 1 1 49 49 ARG CB C 13 31.875 0.698 . 1 . . . . . . . . . 6893 1 295 . 1 1 49 49 ARG CD C 13 43.148 0.000 . 1 . . . . . . . . . 6893 1 296 . 1 1 49 49 ARG HD2 H 1 3.135 0.000 . 2 . . . . . . . . . 6893 1 297 . 1 1 49 49 ARG H H 1 8.691 0.003 . 1 . . . . . . . . . 6893 1 298 . 1 1 49 49 ARG N N 15 122.785 0.017 . 1 . . . . . . . . . 6893 1 299 . 1 1 50 50 SER CA C 13 57.988 0.000 . 1 . . . . . . . . . 6893 1 300 . 1 1 50 50 SER CB C 13 63.895 0.000 . 1 . . . . . . . . . 6893 1 301 . 1 1 50 50 SER H H 1 8.356 0.002 . 1 . . . . . . . . . 6893 1 302 . 1 1 50 50 SER N N 15 116.391 0.023 . 1 . . . . . . . . . 6893 1 303 . 1 1 53 53 LYS CA C 13 55.007 0.000 . 1 . . . . . . . . . 6893 1 304 . 1 1 53 53 LYS CB C 13 32.561 0.000 . 1 . . . . . . . . . 6893 1 305 . 1 1 53 53 LYS CE C 13 35.897 0.000 . 1 . . . . . . . . . 6893 1 306 . 1 1 53 53 LYS HA H 1 4.581 0.000 . 1 . . . . . . . . . 6893 1 307 . 1 1 53 53 LYS HB2 H 1 2.179 0.000 . 2 . . . . . . . . . 6893 1 308 . 1 1 53 53 LYS HD2 H 1 2.118 0.000 . 2 . . . . . . . . . 6893 1 309 . 1 1 53 53 LYS HE2 H 1 3.156 0.000 . 2 . . . . . . . . . 6893 1 310 . 1 1 53 53 LYS HG2 H 1 1.821 0.000 . 2 . . . . . . . . . 6893 1 311 . 1 1 54 54 VAL CA C 13 61.669 0.142 . 1 . . . . . . . . . 6893 1 312 . 1 1 54 54 VAL CB C 13 32.851 0.008 . 1 . . . . . . . . . 6893 1 313 . 1 1 54 54 VAL CG1 C 13 21.393 0.000 . 1 . . . . . . . . . 6893 1 314 . 1 1 54 54 VAL HA H 1 4.606 0.000 . 1 . . . . . . . . . 6893 1 315 . 1 1 54 54 VAL HB H 1 1.936 0.001 . 1 . . . . . . . . . 6893 1 316 . 1 1 54 54 VAL HG21 H 1 0.913 0.005 . 2 . . . . . . . . . 6893 1 317 . 1 1 54 54 VAL HG22 H 1 0.913 0.005 . 2 . . . . . . . . . 6893 1 318 . 1 1 54 54 VAL HG23 H 1 0.913 0.005 . 2 . . . . . . . . . 6893 1 319 . 1 1 54 54 VAL H H 1 8.475 0.006 . 1 . . . . . . . . . 6893 1 320 . 1 1 54 54 VAL N N 15 123.210 0.018 . 1 . . . . . . . . . 6893 1 321 . 1 1 55 55 ILE CA C 13 59.530 0.000 . 1 . . . . . . . . . 6893 1 322 . 1 1 55 55 ILE CB C 13 39.975 0.000 . 1 . . . . . . . . . 6893 1 323 . 1 1 55 55 ILE H H 1 8.969 0.010 . 1 . . . . . . . . . 6893 1 324 . 1 1 55 55 ILE N N 15 126.270 0.089 . 1 . . . . . . . . . 6893 1 325 . 1 1 56 56 THR CA C 13 61.295 0.000 . 1 . . . . . . . . . 6893 1 326 . 1 1 56 56 THR CB C 13 69.924 0.000 . 1 . . . . . . . . . 6893 1 327 . 1 1 56 56 THR CG2 C 13 21.526 0.000 . 1 . . . . . . . . . 6893 1 328 . 1 1 56 56 THR HA H 1 4.881 0.000 . 1 . . . . . . . . . 6893 1 329 . 1 1 56 56 THR HG21 H 1 1.135 0.000 . 1 . . . . . . . . . 6893 1 330 . 1 1 56 56 THR HG22 H 1 1.135 0.000 . 1 . . . . . . . . . 6893 1 331 . 1 1 56 56 THR HG23 H 1 1.135 0.000 . 1 . . . . . . . . . 6893 1 332 . 1 1 57 57 LYS CA C 13 55.067 0.037 . 1 . . . . . . . . . 6893 1 333 . 1 1 57 57 LYS CB C 13 34.865 0.064 . 1 . . . . . . . . . 6893 1 334 . 1 1 57 57 LYS CD C 13 29.674 0.000 . 1 . . . . . . . . . 6893 1 335 . 1 1 57 57 LYS CE C 13 42.153 0.000 . 1 . . . . . . . . . 6893 1 336 . 1 1 57 57 LYS CG C 13 24.414 0.000 . 1 . . . . . . . . . 6893 1 337 . 1 1 57 57 LYS HB2 H 1 1.614 0.000 . 2 . . . . . . . . . 6893 1 338 . 1 1 57 57 LYS HD2 H 1 1.584 0.000 . 2 . . . . . . . . . 6893 1 339 . 1 1 57 57 LYS HE2 H 1 2.858 0.000 . 2 . . . . . . . . . 6893 1 340 . 1 1 57 57 LYS HG2 H 1 1.317 0.000 . 2 . . . . . . . . . 6893 1 341 . 1 1 57 57 LYS H H 1 8.770 0.008 . 1 . . . . . . . . . 6893 1 342 . 1 1 57 57 LYS N N 15 125.798 0.077 . 1 . . . . . . . . . 6893 1 343 . 1 1 58 58 THR CA C 13 61.602 0.009 . 1 . . . . . . . . . 6893 1 344 . 1 1 58 58 THR CB C 13 70.075 0.151 . 1 . . . . . . . . . 6893 1 345 . 1 1 58 58 THR CG2 C 13 21.609 0.000 . 1 . . . . . . . . . 6893 1 346 . 1 1 58 58 THR HA H 1 4.928 0.000 . 1 . . . . . . . . . 6893 1 347 . 1 1 58 58 THR HG21 H 1 1.131 0.000 . 1 . . . . . . . . . 6893 1 348 . 1 1 58 58 THR HG22 H 1 1.131 0.000 . 1 . . . . . . . . . 6893 1 349 . 1 1 58 58 THR HG23 H 1 1.131 0.000 . 1 . . . . . . . . . 6893 1 350 . 1 1 58 58 THR H H 1 8.507 0.007 . 1 . . . . . . . . . 6893 1 351 . 1 1 58 58 THR N N 15 118.786 0.018 . 1 . . . . . . . . . 6893 1 352 . 1 1 59 59 VAL CA C 13 60.471 0.003 . 1 . . . . . . . . . 6893 1 353 . 1 1 59 59 VAL CB C 13 34.778 0.104 . 1 . . . . . . . . . 6893 1 354 . 1 1 59 59 VAL CG1 C 13 20.514 0.000 . 1 . . . . . . . . . 6893 1 355 . 1 1 59 59 VAL HB H 1 2.058 0.000 . 1 . . . . . . . . . 6893 1 356 . 1 1 59 59 VAL HG21 H 1 0.918 0.000 . 2 . . . . . . . . . 6893 1 357 . 1 1 59 59 VAL HG22 H 1 0.918 0.000 . 2 . . . . . . . . . 6893 1 358 . 1 1 59 59 VAL HG23 H 1 0.918 0.000 . 2 . . . . . . . . . 6893 1 359 . 1 1 59 59 VAL H H 1 8.723 0.004 . 1 . . . . . . . . . 6893 1 360 . 1 1 59 59 VAL N N 15 123.671 0.044 . 1 . . . . . . . . . 6893 1 361 . 1 1 60 60 THR CA C 13 61.605 0.039 . 1 . . . . . . . . . 6893 1 362 . 1 1 60 60 THR CB C 13 69.392 0.117 . 1 . . . . . . . . . 6893 1 363 . 1 1 60 60 THR CG2 C 13 21.145 0.000 . 1 . . . . . . . . . 6893 1 364 . 1 1 60 60 THR HA H 1 4.717 0.000 . 1 . . . . . . . . . 6893 1 365 . 1 1 60 60 THR HB H 1 4.661 0.000 . 1 . . . . . . . . . 6893 1 366 . 1 1 60 60 THR HG21 H 1 1.186 0.000 . 1 . . . . . . . . . 6893 1 367 . 1 1 60 60 THR HG22 H 1 1.186 0.000 . 1 . . . . . . . . . 6893 1 368 . 1 1 60 60 THR HG23 H 1 1.186 0.000 . 1 . . . . . . . . . 6893 1 369 . 1 1 60 60 THR H H 1 8.473 0.006 . 1 . . . . . . . . . 6893 1 370 . 1 1 60 60 THR N N 15 119.785 0.016 . 1 . . . . . . . . . 6893 1 371 . 1 1 61 61 ASN CA C 13 52.027 0.035 . 1 . . . . . . . . . 6893 1 372 . 1 1 61 61 ASN CB C 13 39.401 0.004 . 1 . . . . . . . . . 6893 1 373 . 1 1 61 61 ASN HA H 1 4.782 0.000 . 1 . . . . . . . . . 6893 1 374 . 1 1 61 61 ASN HB2 H 1 2.279 0.000 . 2 . . . . . . . . . 6893 1 375 . 1 1 61 61 ASN H H 1 8.700 0.005 . 1 . . . . . . . . . 6893 1 376 . 1 1 61 61 ASN N N 15 124.512 0.018 . 1 . . . . . . . . . 6893 1 377 . 1 1 62 62 ALA CA C 13 54.245 0.034 . 1 . . . . . . . . . 6893 1 378 . 1 1 62 62 ALA CB C 13 18.424 0.002 . 1 . . . . . . . . . 6893 1 379 . 1 1 62 62 ALA HB1 H 1 1.442 0.000 . 1 . . . . . . . . . 6893 1 380 . 1 1 62 62 ALA HB2 H 1 1.442 0.000 . 1 . . . . . . . . . 6893 1 381 . 1 1 62 62 ALA HB3 H 1 1.442 0.000 . 1 . . . . . . . . . 6893 1 382 . 1 1 62 62 ALA H H 1 8.578 0.005 . 1 . . . . . . . . . 6893 1 383 . 1 1 62 62 ALA N N 15 122.880 0.030 . 1 . . . . . . . . . 6893 1 384 . 1 1 63 63 ASP CA C 13 53.807 0.039 . 1 . . . . . . . . . 6893 1 385 . 1 1 63 63 ASP CB C 13 40.656 0.007 . 1 . . . . . . . . . 6893 1 386 . 1 1 63 63 ASP HA H 1 4.603 0.000 . 1 . . . . . . . . . 6893 1 387 . 1 1 63 63 ASP H H 1 7.923 0.014 . 1 . . . . . . . . . 6893 1 388 . 1 1 63 63 ASP N N 15 115.552 0.053 . 1 . . . . . . . . . 6893 1 389 . 1 1 64 64 GLY CA C 13 45.132 0.018 . 1 . . . . . . . . . 6893 1 390 . 1 1 64 64 GLY HA2 H 1 4.198 0.000 . 1 . . . . . . . . . 6893 1 391 . 1 1 64 64 GLY HA3 H 1 3.634 0.000 . 1 . . . . . . . . . 6893 1 392 . 1 1 64 64 GLY H H 1 8.178 0.013 . 1 . . . . . . . . . 6893 1 393 . 1 1 64 64 GLY N N 15 107.839 0.023 . 1 . . . . . . . . . 6893 1 394 . 1 1 65 65 ARG CA C 13 55.713 0.005 . 1 . . . . . . . . . 6893 1 395 . 1 1 65 65 ARG CB C 13 31.050 0.048 . 1 . . . . . . . . . 6893 1 396 . 1 1 65 65 ARG CD C 13 43.148 0.000 . 1 . . . . . . . . . 6893 1 397 . 1 1 65 65 ARG CG C 13 30.188 0.000 . 1 . . . . . . . . . 6893 1 398 . 1 1 65 65 ARG HA H 1 4.490 0.000 . 1 . . . . . . . . . 6893 1 399 . 1 1 65 65 ARG HB2 H 1 1.846 0.000 . 2 . . . . . . . . . 6893 1 400 . 1 1 65 65 ARG HD2 H 1 3.226 0.000 . 2 . . . . . . . . . 6893 1 401 . 1 1 65 65 ARG HG2 H 1 1.660 0.000 . 2 . . . . . . . . . 6893 1 402 . 1 1 65 65 ARG H H 1 7.923 0.014 . 1 . . . . . . . . . 6893 1 403 . 1 1 65 65 ARG N N 15 120.894 0.009 . 1 . . . . . . . . . 6893 1 404 . 1 1 66 66 THR CA C 13 61.591 0.003 . 1 . . . . . . . . . 6893 1 405 . 1 1 66 66 THR CB C 13 69.771 0.083 . 1 . . . . . . . . . 6893 1 406 . 1 1 66 66 THR HA H 1 4.430 0.000 . 1 . . . . . . . . . 6893 1 407 . 1 1 66 66 THR HB H 1 4.163 0.000 . 1 . . . . . . . . . 6893 1 408 . 1 1 66 66 THR HG21 H 1 0.933 0.000 . 1 . . . . . . . . . 6893 1 409 . 1 1 66 66 THR HG22 H 1 0.933 0.000 . 1 . . . . . . . . . 6893 1 410 . 1 1 66 66 THR HG23 H 1 0.933 0.000 . 1 . . . . . . . . . 6893 1 411 . 1 1 66 66 THR H H 1 8.490 0.005 . 1 . . . . . . . . . 6893 1 412 . 1 1 66 66 THR N N 15 117.417 0.082 . 1 . . . . . . . . . 6893 1 413 . 1 1 67 67 GLU CA C 13 55.507 0.385 . 1 . . . . . . . . . 6893 1 414 . 1 1 67 67 GLU CB C 13 32.484 0.026 . 1 . . . . . . . . . 6893 1 415 . 1 1 67 67 GLU CG C 13 35.913 0.000 . 1 . . . . . . . . . 6893 1 416 . 1 1 67 67 GLU HA H 1 4.682 0.000 . 1 . . . . . . . . . 6893 1 417 . 1 1 67 67 GLU HB2 H 1 2.179 0.000 . 2 . . . . . . . . . 6893 1 418 . 1 1 67 67 GLU HG2 H 1 2.179 0.000 . 2 . . . . . . . . . 6893 1 419 . 1 1 67 67 GLU H H 1 8.378 0.006 . 1 . . . . . . . . . 6893 1 420 . 1 1 67 67 GLU N N 15 123.722 0.033 . 1 . . . . . . . . . 6893 1 421 . 1 1 68 68 THR CA C 13 61.343 0.023 . 1 . . . . . . . . . 6893 1 422 . 1 1 68 68 THR CB C 13 70.163 0.082 . 1 . . . . . . . . . 6893 1 423 . 1 1 68 68 THR HA H 1 5.069 0.000 . 1 . . . . . . . . . 6893 1 424 . 1 1 68 68 THR HG21 H 1 1.150 0.000 . 1 . . . . . . . . . 6893 1 425 . 1 1 68 68 THR HG22 H 1 1.150 0.000 . 1 . . . . . . . . . 6893 1 426 . 1 1 68 68 THR HG23 H 1 1.150 0.000 . 1 . . . . . . . . . 6893 1 427 . 1 1 68 68 THR H H 1 8.602 0.014 . 1 . . . . . . . . . 6893 1 428 . 1 1 68 68 THR N N 15 118.605 0.014 . 1 . . . . . . . . . 6893 1 429 . 1 1 69 69 THR CA C 13 61.191 0.450 . 1 . . . . . . . . . 6893 1 430 . 1 1 69 69 THR CB C 13 70.406 0.201 . 1 . . . . . . . . . 6893 1 431 . 1 1 69 69 THR HA H 1 4.908 0.000 . 1 . . . . . . . . . 6893 1 432 . 1 1 69 69 THR HG21 H 1 1.151 0.000 . 1 . . . . . . . . . 6893 1 433 . 1 1 69 69 THR HG22 H 1 1.151 0.000 . 1 . . . . . . . . . 6893 1 434 . 1 1 69 69 THR HG23 H 1 1.151 0.000 . 1 . . . . . . . . . 6893 1 435 . 1 1 69 69 THR H H 1 8.865 0.010 . 1 . . . . . . . . . 6893 1 436 . 1 1 69 69 THR N N 15 118.799 0.015 . 1 . . . . . . . . . 6893 1 437 . 1 1 70 70 LYS CA C 13 55.436 0.000 . 1 . . . . . . . . . 6893 1 438 . 1 1 70 70 LYS CB C 13 32.553 0.000 . 1 . . . . . . . . . 6893 1 439 . 1 1 70 70 LYS H H 1 8.868 0.006 . 1 . . . . . . . . . 6893 1 440 . 1 1 70 70 LYS N N 15 124.509 0.019 . 1 . . . . . . . . . 6893 1 441 . 1 1 71 71 GLU CA C 13 57.352 0.000 . 1 . . . . . . . . . 6893 1 442 . 1 1 71 71 GLU CB C 13 30.074 0.000 . 1 . . . . . . . . . 6893 1 443 . 1 1 71 71 GLU HA H 1 4.646 0.000 . 1 . . . . . . . . . 6893 1 444 . 1 1 71 71 GLU HB2 H 1 2.299 0.000 . 2 . . . . . . . . . 6893 1 445 . 1 1 71 71 GLU HG2 H 1 2.219 0.000 . 2 . . . . . . . . . 6893 1 446 . 1 1 72 72 VAL CA C 13 61.806 0.175 . 1 . . . . . . . . . 6893 1 447 . 1 1 72 72 VAL CB C 13 32.592 0.124 . 1 . . . . . . . . . 6893 1 448 . 1 1 72 72 VAL HB H 1 1.952 0.000 . 1 . . . . . . . . . 6893 1 449 . 1 1 72 72 VAL HG21 H 1 0.928 0.000 . 2 . . . . . . . . . 6893 1 450 . 1 1 72 72 VAL HG22 H 1 0.928 0.000 . 2 . . . . . . . . . 6893 1 451 . 1 1 72 72 VAL HG23 H 1 0.928 0.000 . 2 . . . . . . . . . 6893 1 452 . 1 1 72 72 VAL H H 1 8.113 0.012 . 1 . . . . . . . . . 6893 1 453 . 1 1 72 72 VAL N N 15 122.327 0.044 . 1 . . . . . . . . . 6893 1 454 . 1 1 73 73 VAL CA C 13 60.606 0.050 . 1 . . . . . . . . . 6893 1 455 . 1 1 73 73 VAL CB C 13 33.814 0.074 . 1 . . . . . . . . . 6893 1 456 . 1 1 73 73 VAL HA H 1 4.394 0.000 . 1 . . . . . . . . . 6893 1 457 . 1 1 73 73 VAL HB H 1 2.038 0.000 . 1 . . . . . . . . . 6893 1 458 . 1 1 73 73 VAL HG21 H 1 0.928 0.000 . 2 . . . . . . . . . 6893 1 459 . 1 1 73 73 VAL HG22 H 1 0.928 0.000 . 2 . . . . . . . . . 6893 1 460 . 1 1 73 73 VAL HG23 H 1 0.928 0.000 . 2 . . . . . . . . . 6893 1 461 . 1 1 73 73 VAL H H 1 8.822 0.008 . 1 . . . . . . . . . 6893 1 462 . 1 1 73 73 VAL N N 15 125.384 0.027 . 1 . . . . . . . . . 6893 1 463 . 1 1 74 74 LYS CA C 13 55.835 0.044 . 1 . . . . . . . . . 6893 1 464 . 1 1 74 74 LYS CB C 13 33.433 0.007 . 1 . . . . . . . . . 6893 1 465 . 1 1 74 74 LYS HA H 1 4.551 0.000 . 1 . . . . . . . . . 6893 1 466 . 1 1 74 74 LYS HB2 H 1 1.771 0.000 . 2 . . . . . . . . . 6893 1 467 . 1 1 74 74 LYS HD2 H 1 1.645 0.000 . 2 . . . . . . . . . 6893 1 468 . 1 1 74 74 LYS HE2 H 1 2.954 0.000 . 2 . . . . . . . . . 6893 1 469 . 1 1 74 74 LYS HG2 H 1 1.388 0.000 . 2 . . . . . . . . . 6893 1 470 . 1 1 74 74 LYS H H 1 8.505 0.004 . 1 . . . . . . . . . 6893 1 471 . 1 1 74 74 LYS N N 15 124.798 0.017 . 1 . . . . . . . . . 6893 1 472 . 1 1 75 75 SER CA C 13 57.527 0.024 . 1 . . . . . . . . . 6893 1 473 . 1 1 75 75 SER CB C 13 63.857 0.034 . 1 . . . . . . . . . 6893 1 474 . 1 1 75 75 SER HA H 1 4.546 0.000 . 1 . . . . . . . . . 6893 1 475 . 1 1 75 75 SER HB2 H 1 3.815 0.000 . 2 . . . . . . . . . 6893 1 476 . 1 1 75 75 SER H H 1 8.462 0.008 . 1 . . . . . . . . . 6893 1 477 . 1 1 75 75 SER N N 15 117.907 0.017 . 1 . . . . . . . . . 6893 1 478 . 1 1 76 76 GLU CA C 13 56.895 0.007 . 1 . . . . . . . . . 6893 1 479 . 1 1 76 76 GLU CB C 13 29.888 0.154 . 1 . . . . . . . . . 6893 1 480 . 1 1 76 76 GLU HA H 1 4.359 0.000 . 1 . . . . . . . . . 6893 1 481 . 1 1 76 76 GLU HB2 H 1 2.315 0.000 . 2 . . . . . . . . . 6893 1 482 . 1 1 76 76 GLU HG2 H 1 2.249 0.000 . 2 . . . . . . . . . 6893 1 483 . 1 1 76 76 GLU H H 1 8.827 0.004 . 1 . . . . . . . . . 6893 1 484 . 1 1 76 76 GLU N N 15 124.147 0.041 . 1 . . . . . . . . . 6893 1 485 . 1 1 77 77 ASP CA C 13 53.594 0.000 . 1 . . . . . . . . . 6893 1 486 . 1 1 77 77 ASP CB C 13 41.354 0.137 . 1 . . . . . . . . . 6893 1 487 . 1 1 77 77 ASP HA H 1 4.687 0.000 . 1 . . . . . . . . . 6893 1 488 . 1 1 77 77 ASP H H 1 8.179 0.015 . 1 . . . . . . . . . 6893 1 489 . 1 1 77 77 ASP N N 15 118.687 0.033 . 1 . . . . . . . . . 6893 1 490 . 1 1 78 78 GLY CA C 13 45.239 0.000 . 1 . . . . . . . . . 6893 1 491 . 1 1 78 78 GLY H H 1 8.570 0.002 . 1 . . . . . . . . . 6893 1 492 . 1 1 78 78 GLY N N 15 109.963 0.027 . 1 . . . . . . . . . 6893 1 493 . 1 1 79 79 SER CA C 13 58.050 0.000 . 1 . . . . . . . . . 6893 1 494 . 1 1 79 79 SER CB C 13 63.742 0.000 . 1 . . . . . . . . . 6893 1 495 . 1 1 79 79 SER H H 1 8.148 0.007 . 1 . . . . . . . . . 6893 1 496 . 1 1 79 79 SER N N 15 115.197 0.004 . 1 . . . . . . . . . 6893 1 497 . 1 1 80 80 ASP CA C 13 54.100 0.000 . 1 . . . . . . . . . 6893 1 498 . 1 1 80 80 ASP CB C 13 40.957 0.000 . 1 . . . . . . . . . 6893 1 499 . 1 1 80 80 ASP HA H 1 4.626 0.000 . 1 . . . . . . . . . 6893 1 500 . 1 1 81 81 CYS CA C 13 54.000 0.000 . 1 . . . . . . . . . 6893 1 501 . 1 1 81 81 CYS CB C 13 38.982 0.000 . 1 . . . . . . . . . 6893 1 502 . 1 1 81 81 CYS HA H 1 4.656 0.000 . 1 . . . . . . . . . 6893 1 503 . 1 1 81 81 CYS H H 1 8.380 0.002 . 1 . . . . . . . . . 6893 1 504 . 1 1 81 81 CYS N N 15 119.411 0.041 . 1 . . . . . . . . . 6893 1 505 . 1 1 82 82 GLY CA C 13 45.105 0.000 . 1 . . . . . . . . . 6893 1 506 . 1 1 82 82 GLY HA2 H 1 3.976 0.000 . 2 . . . . . . . . . 6893 1 507 . 1 1 82 82 GLY H H 1 8.262 0.003 . 1 . . . . . . . . . 6893 1 508 . 1 1 82 82 GLY N N 15 109.221 0.022 . 1 . . . . . . . . . 6893 1 509 . 1 1 83 83 ASP CA C 13 54.437 0.025 . 1 . . . . . . . . . 6893 1 510 . 1 1 83 83 ASP CB C 13 41.145 0.066 . 1 . . . . . . . . . 6893 1 511 . 1 1 83 83 ASP HA H 1 4.616 0.000 . 1 . . . . . . . . . 6893 1 512 . 1 1 83 83 ASP H H 1 8.229 0.008 . 1 . . . . . . . . . 6893 1 513 . 1 1 83 83 ASP N N 15 120.197 0.005 . 1 . . . . . . . . . 6893 1 514 . 1 1 84 84 ALA CA C 13 52.711 0.006 . 1 . . . . . . . . . 6893 1 515 . 1 1 84 84 ALA CB C 13 19.257 0.022 . 1 . . . . . . . . . 6893 1 516 . 1 1 84 84 ALA HA H 1 4.657 0.000 . 1 . . . . . . . . . 6893 1 517 . 1 1 84 84 ALA HB1 H 1 1.348 0.000 . 1 . . . . . . . . . 6893 1 518 . 1 1 84 84 ALA HB2 H 1 1.348 0.000 . 1 . . . . . . . . . 6893 1 519 . 1 1 84 84 ALA HB3 H 1 1.348 0.000 . 1 . . . . . . . . . 6893 1 520 . 1 1 84 84 ALA H H 1 8.261 0.004 . 1 . . . . . . . . . 6893 1 521 . 1 1 84 84 ALA N N 15 123.423 0.059 . 1 . . . . . . . . . 6893 1 522 . 1 1 85 85 ASP CA C 13 54.250 0.000 . 1 . . . . . . . . . 6893 1 523 . 1 1 85 85 ASP CB C 13 41.115 0.000 . 1 . . . . . . . . . 6893 1 524 . 1 1 85 85 ASP HA H 1 4.697 0.000 . 1 . . . . . . . . . 6893 1 525 . 1 1 85 85 ASP H H 1 8.169 0.011 . 1 . . . . . . . . . 6893 1 526 . 1 1 85 85 ASP N N 15 118.243 0.031 . 1 . . . . . . . . . 6893 1 527 . 1 1 86 86 PHE H H 1 8.180 0.009 . 1 . . . . . . . . . 6893 1 528 . 1 1 86 86 PHE N N 15 117.924 0.023 . 1 . . . . . . . . . 6893 1 529 . 1 1 90 90 HIS CA C 13 55.878 0.000 . 1 . . . . . . . . . 6893 1 530 . 1 1 90 90 HIS CB C 13 29.531 0.000 . 1 . . . . . . . . . 6893 1 531 . 1 1 91 91 THR CA C 13 61.822 0.000 . 1 . . . . . . . . . 6893 1 532 . 1 1 91 91 THR CB C 13 69.693 0.000 . 1 . . . . . . . . . 6893 1 533 . 1 1 91 91 THR H H 1 7.931 0.001 . 1 . . . . . . . . . 6893 1 534 . 1 1 91 91 THR N N 15 114.475 0.041 . 1 . . . . . . . . . 6893 1 535 . 1 1 93 93 PRO CA C 13 62.711 0.000 . 1 . . . . . . . . . 6893 1 536 . 1 1 93 93 PRO CB C 13 31.894 0.000 . 1 . . . . . . . . . 6893 1 537 . 1 1 93 93 PRO CD C 13 50.334 0.000 . 1 . . . . . . . . . 6893 1 538 . 1 1 93 93 PRO CG C 13 27.301 0.000 . 1 . . . . . . . . . 6893 1 539 . 1 1 93 93 PRO HA H 1 4.440 0.000 . 1 . . . . . . . . . 6893 1 540 . 1 1 93 93 PRO HB2 H 1 2.224 0.000 . 2 . . . . . . . . . 6893 1 541 . 1 1 93 93 PRO HD2 H 1 3.569 0.080 . 2 . . . . . . . . . 6893 1 542 . 1 1 93 93 PRO HG2 H 1 1.912 0.000 . 2 . . . . . . . . . 6893 1 543 . 1 1 94 94 SER CA C 13 58.200 0.000 . 1 . . . . . . . . . 6893 1 544 . 1 1 94 94 SER CB C 13 63.790 0.000 . 1 . . . . . . . . . 6893 1 545 . 1 1 94 94 SER H H 1 8.334 0.004 . 1 . . . . . . . . . 6893 1 546 . 1 1 94 94 SER N N 15 115.592 0.013 . 1 . . . . . . . . . 6893 1 547 . 1 1 95 95 ARG CA C 13 56.039 0.000 . 1 . . . . . . . . . 6893 1 548 . 1 1 95 95 ARG CB C 13 30.652 0.000 . 1 . . . . . . . . . 6893 1 549 . 1 1 95 95 ARG HA H 1 4.374 0.000 . 1 . . . . . . . . . 6893 1 550 . 1 1 96 96 GLY CA C 13 45.221 0.000 . 1 . . . . . . . . . 6893 1 551 . 1 1 96 96 GLY H H 1 8.386 0.008 . 1 . . . . . . . . . 6893 1 552 . 1 1 96 96 GLY N N 15 108.977 0.060 . 1 . . . . . . . . . 6893 1 553 . 1 1 99 99 ASP HA H 1 4.591 0.000 . 1 . . . . . . . . . 6893 1 554 . 1 1 100 100 ASP H H 1 8.124 0.000 . 1 . . . . . . . . . 6893 1 555 . 1 1 100 100 ASP N N 15 120.100 0.000 . 1 . . . . . . . . . 6893 1 556 . 1 1 101 101 PHE CA C 13 58.556 0.000 . 1 . . . . . . . . . 6893 1 557 . 1 1 101 101 PHE CB C 13 39.312 0.000 . 1 . . . . . . . . . 6893 1 558 . 1 1 101 101 PHE HA H 1 4.410 0.000 . 1 . . . . . . . . . 6893 1 559 . 1 1 102 102 PHE CA C 13 58.540 0.000 . 1 . . . . . . . . . 6893 1 560 . 1 1 102 102 PHE CB C 13 39.312 0.000 . 1 . . . . . . . . . 6893 1 561 . 1 1 102 102 PHE H H 1 8.119 0.005 . 1 . . . . . . . . . 6893 1 562 . 1 1 102 102 PHE N N 15 119.246 0.025 . 1 . . . . . . . . . 6893 1 563 . 1 1 103 103 HIS HA H 1 4.520 0.000 . 1 . . . . . . . . . 6893 1 564 . 1 1 104 104 ARG CA C 13 56.355 0.000 . 1 . . . . . . . . . 6893 1 565 . 1 1 104 104 ARG CB C 13 28.891 0.000 . 1 . . . . . . . . . 6893 1 566 . 1 1 104 104 ARG H H 1 8.073 0.004 . 1 . . . . . . . . . 6893 1 567 . 1 1 104 104 ARG N N 15 117.909 0.007 . 1 . . . . . . . . . 6893 1 568 . 1 1 105 105 ASP CA C 13 54.050 0.350 . 1 . . . . . . . . . 6893 1 569 . 1 1 105 105 ASP CB C 13 40.072 1.119 . 1 . . . . . . . . . 6893 1 570 . 1 1 105 105 ASP HA H 1 4.656 0.000 . 1 . . . . . . . . . 6893 1 571 . 1 1 105 105 ASP H H 1 8.478 0.002 . 1 . . . . . . . . . 6893 1 572 . 1 1 105 105 ASP N N 15 121.091 0.011 . 1 . . . . . . . . . 6893 1 573 . 1 1 106 106 LYS CA C 13 56.940 0.000 . 1 . . . . . . . . . 6893 1 574 . 1 1 106 106 LYS CB C 13 29.932 0.000 . 1 . . . . . . . . . 6893 1 575 . 1 1 106 106 LYS H H 1 8.387 0.011 . 1 . . . . . . . . . 6893 1 576 . 1 1 106 106 LYS N N 15 120.253 0.029 . 1 . . . . . . . . . 6893 1 577 . 1 1 107 107 ASP CA C 13 54.914 0.000 . 1 . . . . . . . . . 6893 1 578 . 1 1 107 107 ASP CB C 13 42.053 0.000 . 1 . . . . . . . . . 6893 1 579 . 1 1 107 107 ASP HA H 1 4.354 0.000 . 1 . . . . . . . . . 6893 1 580 . 1 1 108 108 ASP CA C 13 54.935 0.000 . 1 . . . . . . . . . 6893 1 581 . 1 1 108 108 ASP CB C 13 42.075 0.000 . 1 . . . . . . . . . 6893 1 582 . 1 1 108 108 ASP H H 1 8.123 0.005 . 1 . . . . . . . . . 6893 1 583 . 1 1 108 108 ASP N N 15 122.898 0.011 . 1 . . . . . . . . . 6893 1 584 . 1 1 109 109 PHE CA C 13 58.454 0.000 . 1 . . . . . . . . . 6893 1 585 . 1 1 109 109 PHE CB C 13 39.352 0.000 . 1 . . . . . . . . . 6893 1 586 . 1 1 109 109 PHE HA H 1 4.369 0.000 . 1 . . . . . . . . . 6893 1 587 . 1 1 110 110 PHE CA C 13 58.184 0.069 . 1 . . . . . . . . . 6893 1 588 . 1 1 110 110 PHE CB C 13 39.308 0.024 . 1 . . . . . . . . . 6893 1 589 . 1 1 110 110 PHE HA H 1 4.515 0.000 . 1 . . . . . . . . . 6893 1 590 . 1 1 110 110 PHE HB2 H 1 3.105 0.000 . 2 . . . . . . . . . 6893 1 591 . 1 1 110 110 PHE H H 1 7.984 0.007 . 1 . . . . . . . . . 6893 1 592 . 1 1 110 110 PHE N N 15 118.700 0.013 . 1 . . . . . . . . . 6893 1 593 . 1 1 111 111 THR CA C 13 62.283 0.000 . 1 . . . . . . . . . 6893 1 594 . 1 1 111 111 THR CB C 13 69.389 0.000 . 1 . . . . . . . . . 6893 1 595 . 1 1 111 111 THR H H 1 8.005 0.005 . 1 . . . . . . . . . 6893 1 596 . 1 1 111 111 THR N N 15 114.831 0.037 . 1 . . . . . . . . . 6893 1 597 . 1 1 112 112 ARG CA C 13 56.375 0.000 . 1 . . . . . . . . . 6893 1 598 . 1 1 112 112 ARG CB C 13 30.687 0.000 . 1 . . . . . . . . . 6893 1 599 . 1 1 112 112 ARG CD C 13 43.148 0.000 . 1 . . . . . . . . . 6893 1 600 . 1 1 112 112 ARG CG C 13 29.923 0.000 . 1 . . . . . . . . . 6893 1 601 . 1 1 112 112 ARG HA H 1 4.470 0.000 . 1 . . . . . . . . . 6893 1 602 . 1 1 112 112 ARG HD2 H 1 3.125 0.000 . 2 . . . . . . . . . 6893 1 603 . 1 1 112 112 ARG HG2 H 1 1.201 0.000 . 2 . . . . . . . . . 6893 1 604 . 1 1 113 113 SER CA C 13 58.288 0.012 . 1 . . . . . . . . . 6893 1 605 . 1 1 113 113 SER CB C 13 63.544 0.050 . 1 . . . . . . . . . 6893 1 606 . 1 1 113 113 SER HA H 1 4.530 0.000 . 1 . . . . . . . . . 6893 1 607 . 1 1 113 113 SER HB2 H 1 3.916 0.000 . 1 . . . . . . . . . 6893 1 608 . 1 1 113 113 SER H H 1 8.260 0.006 . 1 . . . . . . . . . 6893 1 609 . 1 1 113 113 SER N N 15 116.098 0.020 . 1 . . . . . . . . . 6893 1 610 . 1 1 114 114 SER CA C 13 58.315 0.000 . 1 . . . . . . . . . 6893 1 611 . 1 1 114 114 SER CB C 13 63.493 0.000 . 1 . . . . . . . . . 6893 1 612 . 1 1 114 114 SER H H 1 8.324 0.012 . 1 . . . . . . . . . 6893 1 613 . 1 1 114 114 SER N N 15 117.205 0.013 . 1 . . . . . . . . . 6893 1 614 . 1 1 118 118 ASP CA C 13 54.116 0.000 . 1 . . . . . . . . . 6893 1 615 . 1 1 118 118 ASP CB C 13 40.979 0.000 . 1 . . . . . . . . . 6893 1 616 . 1 1 118 118 ASP HA H 1 4.556 0.000 . 1 . . . . . . . . . 6893 1 617 . 1 1 119 119 GLY CA C 13 45.585 0.003 . 1 . . . . . . . . . 6893 1 618 . 1 1 119 119 GLY HA2 H 1 3.926 0.000 . 2 . . . . . . . . . 6893 1 619 . 1 1 119 119 GLY H H 1 7.979 0.003 . 1 . . . . . . . . . 6893 1 620 . 1 1 119 119 GLY N N 15 108.875 0.069 . 1 . . . . . . . . . 6893 1 621 . 1 1 120 120 ARG CA C 13 56.370 0.009 . 1 . . . . . . . . . 6893 1 622 . 1 1 120 120 ARG CB C 13 30.634 0.018 . 1 . . . . . . . . . 6893 1 623 . 1 1 120 120 ARG CD C 13 43.231 0.000 . 1 . . . . . . . . . 6893 1 624 . 1 1 120 120 ARG CG C 13 30.188 0.000 . 1 . . . . . . . . . 6893 1 625 . 1 1 120 120 ARG HA H 1 4.389 0.000 . 1 . . . . . . . . . 6893 1 626 . 1 1 120 120 ARG HB2 H 1 1.886 0.000 . 2 . . . . . . . . . 6893 1 627 . 1 1 120 120 ARG HD2 H 1 3.171 0.000 . 2 . . . . . . . . . 6893 1 628 . 1 1 120 120 ARG HG2 H 1 1.836 0.000 . 2 . . . . . . . . . 6893 1 629 . 1 1 120 120 ARG H H 1 8.112 0.007 . 1 . . . . . . . . . 6893 1 630 . 1 1 120 120 ARG N N 15 119.857 0.023 . 1 . . . . . . . . . 6893 1 631 . 1 1 121 121 THR CA C 13 62.026 0.000 . 1 . . . . . . . . . 6893 1 632 . 1 1 121 121 THR CB C 13 69.589 0.000 . 1 . . . . . . . . . 6893 1 633 . 1 1 121 121 THR CG2 C 13 21.410 0.000 . 1 . . . . . . . . . 6893 1 634 . 1 1 121 121 THR HA H 1 4.470 0.000 . 1 . . . . . . . . . 6893 1 635 . 1 1 121 121 THR HB H 1 4.299 0.000 . 1 . . . . . . . . . 6893 1 636 . 1 1 121 121 THR HG21 H 1 1.217 0.000 . 1 . . . . . . . . . 6893 1 637 . 1 1 121 121 THR HG22 H 1 1.217 0.000 . 1 . . . . . . . . . 6893 1 638 . 1 1 121 121 THR HG23 H 1 1.217 0.000 . 1 . . . . . . . . . 6893 1 639 . 1 1 121 121 THR H H 1 8.180 0.007 . 1 . . . . . . . . . 6893 1 640 . 1 1 121 121 THR N N 15 113.730 0.040 . 1 . . . . . . . . . 6893 1 641 . 1 1 122 122 GLY CA C 13 45.113 0.000 . 1 . . . . . . . . . 6893 1 642 . 1 1 122 122 GLY HA2 H 1 3.946 0.000 . 2 . . . . . . . . . 6893 1 643 . 1 1 122 122 GLY H H 1 8.425 0.006 . 1 . . . . . . . . . 6893 1 644 . 1 1 122 122 GLY N N 15 110.903 0.007 . 1 . . . . . . . . . 6893 1 645 . 1 1 123 123 LEU CA C 13 54.483 0.014 . 1 . . . . . . . . . 6893 1 646 . 1 1 123 123 LEU CB C 13 42.651 0.004 . 1 . . . . . . . . . 6893 1 647 . 1 1 123 123 LEU CD1 C 13 24.165 0.000 . 1 . . . . . . . . . 6893 1 648 . 1 1 123 123 LEU CG C 13 26.621 0.000 . 1 . . . . . . . . . 6893 1 649 . 1 1 123 123 LEU HA H 1 4.374 0.000 . 1 . . . . . . . . . 6893 1 650 . 1 1 123 123 LEU HB2 H 1 1.587 0.018 . 2 . . . . . . . . . 6893 1 651 . 1 1 123 123 LEU HG H 1 0.903 0.000 . 1 . . . . . . . . . 6893 1 652 . 1 1 123 123 LEU H H 1 7.986 0.005 . 1 . . . . . . . . . 6893 1 653 . 1 1 123 123 LEU N N 15 120.980 0.022 . 1 . . . . . . . . . 6893 1 654 . 1 1 124 124 ALA CA C 13 50.505 0.000 . 1 . . . . . . . . . 6893 1 655 . 1 1 124 124 ALA CB C 13 18.383 0.000 . 1 . . . . . . . . . 6893 1 656 . 1 1 124 124 ALA H H 1 8.294 0.004 . 1 . . . . . . . . . 6893 1 657 . 1 1 124 124 ALA N N 15 125.895 0.012 . 1 . . . . . . . . . 6893 1 658 . 1 1 125 125 PRO CA C 13 63.374 0.000 . 1 . . . . . . . . . 6893 1 659 . 1 1 125 125 PRO CB C 13 31.879 0.000 . 1 . . . . . . . . . 6893 1 660 . 1 1 125 125 PRO CD C 13 50.334 0.000 . 1 . . . . . . . . . 6893 1 661 . 1 1 125 125 PRO CG C 13 27.334 0.000 . 1 . . . . . . . . . 6893 1 662 . 1 1 125 125 PRO HA H 1 4.339 0.000 . 1 . . . . . . . . . 6893 1 663 . 1 1 125 125 PRO HB2 H 1 2.239 0.000 . 2 . . . . . . . . . 6893 1 664 . 1 1 125 125 PRO HB3 H 1 1.796 0.000 . 2 . . . . . . . . . 6893 1 665 . 1 1 125 125 PRO HD2 H 1 3.710 0.000 . 2 . . . . . . . . . 6893 1 666 . 1 1 125 125 PRO HG2 H 1 1.997 0.000 . 2 . . . . . . . . . 6893 1 667 . 1 1 126 126 GLU CA C 13 56.966 0.056 . 1 . . . . . . . . . 6893 1 668 . 1 1 126 126 GLU CB C 13 29.864 0.170 . 1 . . . . . . . . . 6893 1 669 . 1 1 126 126 GLU CG C 13 35.946 0.000 . 1 . . . . . . . . . 6893 1 670 . 1 1 126 126 GLU HA H 1 3.971 0.000 . 1 . . . . . . . . . 6893 1 671 . 1 1 126 126 GLU HB2 H 1 2.017 0.000 . 2 . . . . . . . . . 6893 1 672 . 1 1 126 126 GLU HG2 H 1 2.088 0.000 . 2 . . . . . . . . . 6893 1 673 . 1 1 126 126 GLU H H 1 8.637 0.009 . 1 . . . . . . . . . 6893 1 674 . 1 1 126 126 GLU N N 15 119.591 0.015 . 1 . . . . . . . . . 6893 1 675 . 1 1 127 127 PHE CA C 13 57.590 0.003 . 1 . . . . . . . . . 6893 1 676 . 1 1 127 127 PHE CB C 13 39.367 0.043 . 1 . . . . . . . . . 6893 1 677 . 1 1 127 127 PHE HA H 1 4.611 0.000 . 1 . . . . . . . . . 6893 1 678 . 1 1 127 127 PHE HB2 H 1 3.206 0.000 . 2 . . . . . . . . . 6893 1 679 . 1 1 127 127 PHE HB3 H 1 2.994 0.000 . 2 . . . . . . . . . 6893 1 680 . 1 1 127 127 PHE H H 1 8.246 0.003 . 1 . . . . . . . . . 6893 1 681 . 1 1 127 127 PHE N N 15 119.789 0.021 . 1 . . . . . . . . . 6893 1 682 . 1 1 128 128 ALA CA C 13 52.495 0.052 . 1 . . . . . . . . . 6893 1 683 . 1 1 128 128 ALA CB C 13 19.121 0.071 . 1 . . . . . . . . . 6893 1 684 . 1 1 128 128 ALA HA H 1 4.384 0.000 . 1 . . . . . . . . . 6893 1 685 . 1 1 128 128 ALA HB1 H 1 1.358 0.000 . 1 . . . . . . . . . 6893 1 686 . 1 1 128 128 ALA HB2 H 1 1.358 0.000 . 1 . . . . . . . . . 6893 1 687 . 1 1 128 128 ALA HB3 H 1 1.358 0.000 . 1 . . . . . . . . . 6893 1 688 . 1 1 128 128 ALA H H 1 8.042 0.006 . 1 . . . . . . . . . 6893 1 689 . 1 1 128 128 ALA N N 15 124.689 0.012 . 1 . . . . . . . . . 6893 1 690 . 1 1 129 129 ALA CA C 13 52.400 0.058 . 1 . . . . . . . . . 6893 1 691 . 1 1 129 129 ALA CB C 13 18.977 0.049 . 1 . . . . . . . . . 6893 1 692 . 1 1 129 129 ALA HA H 1 4.017 0.000 . 1 . . . . . . . . . 6893 1 693 . 1 1 129 129 ALA HB1 H 1 1.343 0.000 . 1 . . . . . . . . . 6893 1 694 . 1 1 129 129 ALA HB2 H 1 1.343 0.000 . 1 . . . . . . . . . 6893 1 695 . 1 1 129 129 ALA HB3 H 1 1.343 0.000 . 1 . . . . . . . . . 6893 1 696 . 1 1 129 129 ALA H H 1 8.094 0.004 . 1 . . . . . . . . . 6893 1 697 . 1 1 129 129 ALA N N 15 122.320 0.014 . 1 . . . . . . . . . 6893 1 698 . 1 1 130 130 LEU CA C 13 55.284 0.030 . 1 . . . . . . . . . 6893 1 699 . 1 1 130 130 LEU CB C 13 42.186 0.018 . 1 . . . . . . . . . 6893 1 700 . 1 1 130 130 LEU CD1 C 13 23.883 0.000 . 1 . . . . . . . . . 6893 1 701 . 1 1 130 130 LEU CG C 13 26.637 0.000 . 1 . . . . . . . . . 6893 1 702 . 1 1 130 130 LEU HA H 1 4.319 0.000 . 1 . . . . . . . . . 6893 1 703 . 1 1 130 130 LEU HB2 H 1 1.695 0.000 . 2 . . . . . . . . . 6893 1 704 . 1 1 130 130 LEU HD21 H 1 0.948 0.000 . 2 . . . . . . . . . 6893 1 705 . 1 1 130 130 LEU HD22 H 1 0.948 0.000 . 2 . . . . . . . . . 6893 1 706 . 1 1 130 130 LEU HD23 H 1 0.948 0.000 . 2 . . . . . . . . . 6893 1 707 . 1 1 130 130 LEU HG H 1 1.620 0.000 . 1 . . . . . . . . . 6893 1 708 . 1 1 130 130 LEU H H 1 8.080 0.011 . 1 . . . . . . . . . 6893 1 709 . 1 1 130 130 LEU N N 15 120.510 0.009 . 1 . . . . . . . . . 6893 1 710 . 1 1 131 131 GLY CA C 13 45.201 0.042 . 1 . . . . . . . . . 6893 1 711 . 1 1 131 131 GLY HA2 H 1 3.981 0.000 . 2 . . . . . . . . . 6893 1 712 . 1 1 131 131 GLY H H 1 8.258 0.004 . 1 . . . . . . . . . 6893 1 713 . 1 1 131 131 GLY N N 15 108.720 0.025 . 1 . . . . . . . . . 6893 1 714 . 1 1 132 132 GLU CA C 13 56.378 0.024 . 1 . . . . . . . . . 6893 1 715 . 1 1 132 132 GLU CB C 13 30.236 0.002 . 1 . . . . . . . . . 6893 1 716 . 1 1 132 132 GLU CG C 13 35.930 0.000 . 1 . . . . . . . . . 6893 1 717 . 1 1 132 132 GLU HA H 1 4.354 0.000 . 1 . . . . . . . . . 6893 1 718 . 1 1 132 132 GLU HB2 H 1 2.234 0.000 . 2 . . . . . . . . . 6893 1 719 . 1 1 132 132 GLU HG2 H 1 2.299 0.000 . 2 . . . . . . . . . 6893 1 720 . 1 1 132 132 GLU H H 1 8.244 0.006 . 1 . . . . . . . . . 6893 1 721 . 1 1 132 132 GLU N N 15 120.350 0.064 . 1 . . . . . . . . . 6893 1 722 . 1 1 133 133 SER CA C 13 58.562 0.022 . 1 . . . . . . . . . 6893 1 723 . 1 1 133 133 SER CB C 13 63.552 0.038 . 1 . . . . . . . . . 6893 1 724 . 1 1 133 133 SER H H 1 8.449 0.003 . 1 . . . . . . . . . 6893 1 725 . 1 1 133 133 SER N N 15 116.514 0.015 . 1 . . . . . . . . . 6893 1 726 . 1 1 134 134 GLY CA C 13 45.265 0.019 . 1 . . . . . . . . . 6893 1 727 . 1 1 134 134 GLY HA2 H 1 4.007 0.000 . 2 . . . . . . . . . 6893 1 728 . 1 1 134 134 GLY H H 1 8.407 0.009 . 1 . . . . . . . . . 6893 1 729 . 1 1 134 134 GLY N N 15 110.284 0.053 . 1 . . . . . . . . . 6893 1 730 . 1 1 135 135 SER CB C 13 63.579 0.003 . 1 . . . . . . . . . 6893 1 731 . 1 1 135 135 SER HA H 1 4.525 0.000 . 1 . . . . . . . . . 6893 1 732 . 1 1 135 135 SER HB2 H 1 3.906 0.000 . 2 . . . . . . . . . 6893 1 733 . 1 1 135 135 SER H H 1 8.207 0.006 . 1 . . . . . . . . . 6893 1 734 . 1 1 135 135 SER N N 15 115.180 0.012 . 1 . . . . . . . . . 6893 1 735 . 1 1 135 135 SER CA C 13 57.983 0.000 . 1 . . . . . . . . . 6893 1 736 . 1 1 136 136 SER CB C 13 63.599 0.008 . 1 . . . . . . . . . 6893 1 737 . 1 1 136 136 SER HA H 1 4.435 0.000 . 1 . . . . . . . . . 6893 1 738 . 1 1 136 136 SER HB2 H 1 3.810 0.000 . 2 . . . . . . . . . 6893 1 739 . 1 1 136 136 SER H H 1 8.410 0.007 . 1 . . . . . . . . . 6893 1 740 . 1 1 136 136 SER N N 15 117.665 0.329 . 1 . . . . . . . . . 6893 1 741 . 1 1 136 136 SER CA C 13 58.331 0.000 . 1 . . . . . . . . . 6893 1 742 . 1 1 137 137 SER CA C 13 58.264 0.050 . 1 . . . . . . . . . 6893 1 743 . 1 1 137 137 SER CB C 13 63.591 0.017 . 1 . . . . . . . . . 6893 1 744 . 1 1 137 137 SER HA H 1 4.530 0.000 . 1 . . . . . . . . . 6893 1 745 . 1 1 137 137 SER HB2 H 1 3.906 0.000 . 2 . . . . . . . . . 6893 1 746 . 1 1 137 137 SER H H 1 8.226 0.007 . 1 . . . . . . . . . 6893 1 747 . 1 1 137 137 SER N N 15 117.120 0.054 . 1 . . . . . . . . . 6893 1 748 . 1 1 138 138 SER CA C 13 58.215 0.000 . 1 . . . . . . . . . 6893 1 749 . 1 1 138 138 SER CB C 13 63.575 0.000 . 1 . . . . . . . . . 6893 1 750 . 1 1 138 138 SER H H 1 8.380 0.002 . 1 . . . . . . . . . 6893 1 751 . 1 1 138 138 SER N N 15 117.279 0.053 . 1 . . . . . . . . . 6893 1 752 . 1 1 139 139 LYS CA C 13 56.440 0.000 . 1 . . . . . . . . . 6893 1 753 . 1 1 139 139 LYS CB C 13 32.828 0.000 . 1 . . . . . . . . . 6893 1 754 . 1 1 139 139 LYS CD C 13 29.060 0.000 . 1 . . . . . . . . . 6893 1 755 . 1 1 139 139 LYS CE C 13 42.169 0.000 . 1 . . . . . . . . . 6893 1 756 . 1 1 139 139 LYS CG C 13 24.712 0.000 . 1 . . . . . . . . . 6893 1 757 . 1 1 139 139 LYS HA H 1 4.420 0.000 . 1 . . . . . . . . . 6893 1 758 . 1 1 139 139 LYS HB2 H 1 1.871 0.000 . 2 . . . . . . . . . 6893 1 759 . 1 1 139 139 LYS HD2 H 1 1.690 0.000 . 2 . . . . . . . . . 6893 1 760 . 1 1 139 139 LYS HE2 H 1 2.994 0.000 . 2 . . . . . . . . . 6893 1 761 . 1 1 139 139 LYS HG2 H 1 1.463 0.000 . 2 . . . . . . . . . 6893 1 762 . 1 1 140 140 THR CA C 13 61.705 0.000 . 1 . . . . . . . . . 6893 1 763 . 1 1 140 140 THR CB C 13 69.553 0.000 . 1 . . . . . . . . . 6893 1 764 . 1 1 140 140 THR H H 1 8.097 0.007 . 1 . . . . . . . . . 6893 1 765 . 1 1 140 140 THR N N 15 114.095 0.012 . 1 . . . . . . . . . 6893 1 766 . 1 1 141 141 SER CA C 13 58.115 0.000 . 1 . . . . . . . . . 6893 1 767 . 1 1 141 141 SER CB C 13 63.508 0.000 . 1 . . . . . . . . . 6893 1 768 . 1 1 141 141 SER HA H 1 4.546 0.000 . 1 . . . . . . . . . 6893 1 769 . 1 1 141 141 SER HB2 H 1 3.992 0.000 . 2 . . . . . . . . . 6893 1 770 . 1 1 142 142 THR CA C 13 61.886 0.000 . 1 . . . . . . . . . 6893 1 771 . 1 1 142 142 THR CB C 13 69.446 0.000 . 1 . . . . . . . . . 6893 1 772 . 1 1 142 142 THR H H 1 8.172 0.006 . 1 . . . . . . . . . 6893 1 773 . 1 1 142 142 THR N N 15 115.393 0.026 . 1 . . . . . . . . . 6893 1 774 . 1 1 147 147 PHE CA C 13 57.651 0.000 . 1 . . . . . . . . . 6893 1 775 . 1 1 147 147 PHE CB C 13 39.523 0.000 . 1 . . . . . . . . . 6893 1 776 . 1 1 148 148 VAL CA C 13 61.761 0.013 . 1 . . . . . . . . . 6893 1 777 . 1 1 148 148 VAL CB C 13 32.948 0.088 . 1 . . . . . . . . . 6893 1 778 . 1 1 148 148 VAL CG1 C 13 20.530 0.000 . 2 . . . . . . . . . 6893 1 779 . 1 1 148 148 VAL HA H 1 4.112 0.000 . 1 . . . . . . . . . 6893 1 780 . 1 1 148 148 VAL HB H 1 2.012 0.000 . 1 . . . . . . . . . 6893 1 781 . 1 1 148 148 VAL HG21 H 1 0.953 0.000 . 2 . . . . . . . . . 6893 1 782 . 1 1 148 148 VAL HG22 H 1 0.953 0.000 . 2 . . . . . . . . . 6893 1 783 . 1 1 148 148 VAL HG23 H 1 0.953 0.000 . 2 . . . . . . . . . 6893 1 784 . 1 1 148 148 VAL H H 1 8.013 0.002 . 1 . . . . . . . . . 6893 1 785 . 1 1 148 148 VAL N N 15 122.580 0.006 . 1 . . . . . . . . . 6893 1 786 . 1 1 149 149 SER CA C 13 57.983 0.000 . 1 . . . . . . . . . 6893 1 787 . 1 1 149 149 SER CB C 13 63.658 0.050 . 1 . . . . . . . . . 6893 1 788 . 1 1 149 149 SER HA H 1 4.525 0.000 . 1 . . . . . . . . . 6893 1 789 . 1 1 149 149 SER HB2 H 1 3.906 0.000 . 2 . . . . . . . . . 6893 1 790 . 1 1 149 149 SER H H 1 8.370 0.002 . 1 . . . . . . . . . 6893 1 791 . 1 1 149 149 SER N N 15 119.493 0.017 . 1 . . . . . . . . . 6893 1 792 . 1 1 150 150 SER CA C 13 58.057 0.025 . 1 . . . . . . . . . 6893 1 793 . 1 1 150 150 SER CB C 13 63.608 0.033 . 1 . . . . . . . . . 6893 1 794 . 1 1 150 150 SER HA H 1 4.525 0.000 . 1 . . . . . . . . . 6893 1 795 . 1 1 150 150 SER H H 1 8.392 0.016 . 1 . . . . . . . . . 6893 1 796 . 1 1 150 150 SER N N 15 117.802 0.006 . 1 . . . . . . . . . 6893 1 797 . 1 1 151 151 SER CA C 13 58.032 0.000 . 1 . . . . . . . . . 6893 1 798 . 1 1 151 151 SER CB C 13 63.625 0.000 . 1 . . . . . . . . . 6893 1 799 . 1 1 151 151 SER H H 1 8.392 0.007 . 1 . . . . . . . . . 6893 1 800 . 1 1 151 151 SER N N 15 117.882 0.037 . 1 . . . . . . . . . 6893 1 801 . 1 1 152 152 THR CA C 13 61.484 0.000 . 1 . . . . . . . . . 6893 1 802 . 1 1 152 152 THR CB C 13 69.565 0.000 . 1 . . . . . . . . . 6893 1 803 . 1 1 152 152 THR HA H 1 4.465 0.000 . 1 . . . . . . . . . 6893 1 804 . 1 1 152 152 THR HG21 H 1 1.207 0.000 . 1 . . . . . . . . . 6893 1 805 . 1 1 152 152 THR HG22 H 1 1.207 0.000 . 1 . . . . . . . . . 6893 1 806 . 1 1 152 152 THR HG23 H 1 1.207 0.000 . 1 . . . . . . . . . 6893 1 807 . 1 1 153 153 THR CA C 13 61.896 0.000 . 1 . . . . . . . . . 6893 1 808 . 1 1 153 153 THR CB C 13 69.548 0.000 . 1 . . . . . . . . . 6893 1 809 . 1 1 153 153 THR H H 1 8.192 0.005 . 1 . . . . . . . . . 6893 1 810 . 1 1 153 153 THR N N 15 116.909 0.015 . 1 . . . . . . . . . 6893 1 811 . 1 1 154 154 VAL CA C 13 62.167 0.000 . 1 . . . . . . . . . 6893 1 812 . 1 1 154 154 VAL CB C 13 32.868 0.000 . 1 . . . . . . . . . 6893 1 813 . 1 1 154 154 VAL CG1 C 13 20.630 0.000 . 2 . . . . . . . . . 6893 1 814 . 1 1 154 154 VAL HB H 1 2.062 0.000 . 1 . . . . . . . . . 6893 1 815 . 1 1 154 154 VAL HG21 H 1 0.972 0.000 . 2 . . . . . . . . . 6893 1 816 . 1 1 154 154 VAL HG22 H 1 0.972 0.000 . 2 . . . . . . . . . 6893 1 817 . 1 1 154 154 VAL HG23 H 1 0.972 0.000 . 2 . . . . . . . . . 6893 1 818 . 1 1 155 155 ASN CA C 13 52.977 0.021 . 1 . . . . . . . . . 6893 1 819 . 1 1 155 155 ASN CB C 13 38.678 0.028 . 1 . . . . . . . . . 6893 1 820 . 1 1 155 155 ASN HA H 1 4.737 0.000 . 1 . . . . . . . . . 6893 1 821 . 1 1 155 155 ASN H H 1 8.511 0.004 . 1 . . . . . . . . . 6893 1 822 . 1 1 155 155 ASN N N 15 122.383 0.038 . 1 . . . . . . . . . 6893 1 823 . 1 1 156 156 ARG CA C 13 56.212 0.020 . 1 . . . . . . . . . 6893 1 824 . 1 1 156 156 ARG CB C 13 30.511 0.059 . 1 . . . . . . . . . 6893 1 825 . 1 1 156 156 ARG CD C 13 43.147 0.000 . 1 . . . . . . . . . 6893 1 826 . 1 1 156 156 ARG CG C 13 30.088 0.000 . 1 . . . . . . . . . 6893 1 827 . 1 1 156 156 ARG HA H 1 4.319 0.000 . 1 . . . . . . . . . 6893 1 828 . 1 1 156 156 ARG HB2 H 1 1.898 0.000 . 2 . . . . . . . . . 6893 1 829 . 1 1 156 156 ARG HD2 H 1 3.199 0.000 . 2 . . . . . . . . . 6893 1 830 . 1 1 156 156 ARG HG2 H 1 1.761 0.000 . 2 . . . . . . . . . 6893 1 831 . 1 1 156 156 ARG H H 1 8.440 0.004 . 1 . . . . . . . . . 6893 1 832 . 1 1 156 156 ARG N N 15 122.195 0.012 . 1 . . . . . . . . . 6893 1 833 . 1 1 157 157 GLY CA C 13 45.252 0.028 . 1 . . . . . . . . . 6893 1 834 . 1 1 157 157 GLY HA2 H 1 3.999 0.000 . 2 . . . . . . . . . 6893 1 835 . 1 1 157 157 GLY H H 1 8.435 0.006 . 1 . . . . . . . . . 6893 1 836 . 1 1 157 157 GLY N N 15 109.512 0.033 . 1 . . . . . . . . . 6893 1 837 . 1 1 158 158 GLY CA C 13 45.211 0.044 . 1 . . . . . . . . . 6893 1 838 . 1 1 158 158 GLY HA2 H 1 4.002 0.000 . 2 . . . . . . . . . 6893 1 839 . 1 1 158 158 GLY H H 1 8.266 0.006 . 1 . . . . . . . . . 6893 1 840 . 1 1 158 158 GLY N N 15 108.589 0.065 . 1 . . . . . . . . . 6893 1 841 . 1 1 159 159 SER CA C 13 58.063 0.031 . 1 . . . . . . . . . 6893 1 842 . 1 1 159 159 SER CB C 13 63.817 0.036 . 1 . . . . . . . . . 6893 1 843 . 1 1 159 159 SER HA H 1 4.484 0.000 . 1 . . . . . . . . . 6893 1 844 . 1 1 159 159 SER HB2 H 1 3.888 0.000 . 2 . . . . . . . . . 6893 1 845 . 1 1 159 159 SER H H 1 8.154 0.005 . 1 . . . . . . . . . 6893 1 846 . 1 1 159 159 SER N N 15 115.277 0.022 . 1 . . . . . . . . . 6893 1 847 . 1 1 160 160 ALA CA C 13 52.508 0.022 . 1 . . . . . . . . . 6893 1 848 . 1 1 160 160 ALA CB C 13 19.117 0.018 . 1 . . . . . . . . . 6893 1 849 . 1 1 160 160 ALA HA H 1 4.520 0.000 . 1 . . . . . . . . . 6893 1 850 . 1 1 160 160 ALA HB1 H 1 1.399 0.000 . 1 . . . . . . . . . 6893 1 851 . 1 1 160 160 ALA HB2 H 1 1.399 0.000 . 1 . . . . . . . . . 6893 1 852 . 1 1 160 160 ALA HB3 H 1 1.399 0.000 . 1 . . . . . . . . . 6893 1 853 . 1 1 160 160 ALA H H 1 8.373 0.004 . 1 . . . . . . . . . 6893 1 854 . 1 1 160 160 ALA N N 15 125.725 0.017 . 1 . . . . . . . . . 6893 1 855 . 1 1 161 161 ILE CA C 13 61.065 0.007 . 1 . . . . . . . . . 6893 1 856 . 1 1 161 161 ILE CB C 13 38.559 0.083 . 1 . . . . . . . . . 6893 1 857 . 1 1 161 161 ILE CG1 C 13 27.308 0.000 . 1 . . . . . . . . . 6893 1 858 . 1 1 161 161 ILE HA H 1 4.147 0.000 . 1 . . . . . . . . . 6893 1 859 . 1 1 161 161 ILE HB H 1 1.860 0.000 . 1 . . . . . . . . . 6893 1 860 . 1 1 161 161 ILE HG21 H 1 0.937 0.000 . 1 . . . . . . . . . 6893 1 861 . 1 1 161 161 ILE HG22 H 1 0.937 0.000 . 1 . . . . . . . . . 6893 1 862 . 1 1 161 161 ILE HG23 H 1 0.937 0.000 . 1 . . . . . . . . . 6893 1 863 . 1 1 161 161 ILE H H 1 8.044 0.002 . 1 . . . . . . . . . 6893 1 864 . 1 1 161 161 ILE N N 15 119.354 0.075 . 1 . . . . . . . . . 6893 1 865 . 1 1 162 162 GLU CA C 13 56.379 0.010 . 1 . . . . . . . . . 6893 1 866 . 1 1 162 162 GLU CB C 13 30.291 0.036 . 1 . . . . . . . . . 6893 1 867 . 1 1 162 162 GLU CG C 13 36.029 0.000 . 1 . . . . . . . . . 6893 1 868 . 1 1 162 162 GLU HA H 1 4.510 0.000 . 1 . . . . . . . . . 6893 1 869 . 1 1 162 162 GLU HB2 H 1 2.240 0.000 . 2 . . . . . . . . . 6893 1 870 . 1 1 162 162 GLU HG2 H 1 2.294 0.000 . 2 . . . . . . . . . 6893 1 871 . 1 1 162 162 GLU H H 1 8.397 0.004 . 1 . . . . . . . . . 6893 1 872 . 1 1 162 162 GLU N N 15 124.547 0.102 . 1 . . . . . . . . . 6893 1 873 . 1 1 163 163 SER H H 1 8.288 0.003 . 1 . . . . . . . . . 6893 1 874 . 1 1 163 163 SER N N 15 117.222 0.047 . 1 . . . . . . . . . 6893 1 875 . 1 1 165 165 HIS CA C 13 54.994 0.000 . 1 . . . . . . . . . 6893 1 876 . 1 1 165 165 HIS CB C 13 29.642 0.000 . 1 . . . . . . . . . 6893 1 877 . 1 1 165 165 HIS HA H 1 4.637 0.000 . 1 . . . . . . . . . 6893 1 878 . 1 1 165 165 HIS HB2 H 1 3.120 0.000 . 2 . . . . . . . . . 6893 1 879 . 1 1 166 166 PHE CA C 13 59.034 0.000 . 1 . . . . . . . . . 6893 1 880 . 1 1 166 166 PHE CB C 13 40.004 0.000 . 1 . . . . . . . . . 6893 1 881 . 1 1 166 166 PHE H H 1 7.863 0.004 . 1 . . . . . . . . . 6893 1 882 . 1 1 166 166 PHE N N 15 126.247 0.035 . 1 . . . . . . . . . 6893 1 stop_ save_