data_18477 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR dynamics in the C-terminal globular domain of oligosaccharyltransferase ; _BMRB_accession_number 18477 _BMRB_flat_file_name bmr18477.str _Entry_type original _Submission_date 2012-05-23 _Accession_date 2012-05-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nyirenda James . . 2 Matsumoto Shunsuke . . 3 Takashi Saitoh . . 4 Kohda Daisuke . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 2 T1_relaxation 2 T2_relaxation 2 S2_parameters 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 151 "15N chemical shifts" 151 "T1 relaxation values" 264 "T2 relaxation values" 264 "order parameters" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-25 update BMRB 'update entry citation' 2012-11-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Crystallographic and NMR evidence for flexibility in oligosaccharyltransferases and its catalytic significance.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23177926 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nyirenda James . . 2 Matsumoto Shunsuke . . 3 Saitoh Takashi . . 4 Maita Nobuo . . 5 Noda Nobuo N. . 6 Inagaki Fuyuhiko . . 7 Kohda Daisuke . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 21 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 32 _Page_last 41 _Year 2013 _Details . loop_ _Keyword 'Comparative structural biology' 'Crystal packing effect' 'NMR relaxtion measurement' Oligosaccharyltransferase stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name A.fAglB_S2 _Enzyme_commission_number E.C.2.4.1.119 loop_ _Mol_system_component_name _Mol_label AfAglB-S2 $AfAglB-S2 stop_ _System_molecular_weight 22000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Transfers a lipid linked from the donor to a growing peptide onto an asparagine residue in the consenus sequence Asn-X-Thr where X can be any amino acid except Proline.' stop_ _Database_query_date . _Details 'single subunit protein' save_ ######################## # Monomeric polymers # ######################## save_AfAglB-S2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AfAglB-S2 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Archeal Oligosacchryltransferase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 180 _Mol_residue_sequence ; MAHHHHHHSAALEVLFQGPE MTMDWKEALNWMKENLEAQD YLKAYEKPDYAVLSWWDYGN WILYVAKKAVVCNNFQAGAD DAAKFFTAQSEEEAMKIVEK RKVRYVVTVEELTVKPETNK TKFIPIMQIAGYSPEYMKNK EIIDFFNKTMLYKLHVENAT NLTHFRLLKNFGTVKIFEVK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 HIS 4 4 HIS 5 5 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 SER 10 10 ALA 11 11 ALA 12 12 LEU 13 13 GLU 14 14 VAL 15 15 LEU 16 16 PHE 17 17 GLN 18 18 GLY 19 19 PRO 20 433 GLU 21 434 MET 22 435 THR 23 436 MET 24 437 ASP 25 438 TRP 26 439 LYS 27 440 GLU 28 441 ALA 29 442 LEU 30 443 ASN 31 444 TRP 32 445 MET 33 446 LYS 34 447 GLU 35 448 ASN 36 449 LEU 37 450 GLU 38 451 ALA 39 452 GLN 40 453 ASP 41 454 TYR 42 455 LEU 43 456 LYS 44 457 ALA 45 458 TYR 46 459 GLU 47 460 LYS 48 461 PRO 49 462 ASP 50 463 TYR 51 464 ALA 52 465 VAL 53 466 LEU 54 467 SER 55 468 TRP 56 469 TRP 57 470 ASP 58 471 TYR 59 472 GLY 60 473 ASN 61 474 TRP 62 475 ILE 63 476 LEU 64 477 TYR 65 478 VAL 66 479 ALA 67 480 LYS 68 481 LYS 69 482 ALA 70 483 VAL 71 484 VAL 72 485 CYS 73 486 ASN 74 487 ASN 75 488 PHE 76 489 GLN 77 490 ALA 78 491 GLY 79 492 ALA 80 493 ASP 81 494 ASP 82 495 ALA 83 496 ALA 84 497 LYS 85 498 PHE 86 499 PHE 87 500 THR 88 501 ALA 89 502 GLN 90 503 SER 91 504 GLU 92 505 GLU 93 506 GLU 94 507 ALA 95 508 MET 96 509 LYS 97 510 ILE 98 511 VAL 99 512 GLU 100 513 LYS 101 514 ARG 102 515 LYS 103 516 VAL 104 517 ARG 105 518 TYR 106 519 VAL 107 520 VAL 108 521 THR 109 522 VAL 110 523 GLU 111 524 GLU 112 525 LEU 113 526 THR 114 527 VAL 115 528 LYS 116 529 PRO 117 530 GLU 118 531 THR 119 532 ASN 120 533 LYS 121 534 THR 122 535 LYS 123 536 PHE 124 537 ILE 125 538 PRO 126 539 ILE 127 540 MET 128 541 GLN 129 542 ILE 130 543 ALA 131 544 GLY 132 545 TYR 133 546 SER 134 547 PRO 135 548 GLU 136 549 TYR 137 550 MET 138 551 LYS 139 552 ASN 140 553 LYS 141 554 GLU 142 555 ILE 143 556 ILE 144 557 ASP 145 558 PHE 146 559 PHE 147 560 ASN 148 561 LYS 149 562 THR 150 563 MET 151 564 LEU 152 565 TYR 153 566 LYS 154 567 LEU 155 568 HIS 156 569 VAL 157 570 GLU 158 571 ASN 159 572 ALA 160 573 THR 161 574 ASN 162 575 LEU 163 576 THR 164 577 HIS 165 578 PHE 166 579 ARG 167 580 LEU 168 581 LEU 169 582 LYS 170 583 ASN 171 584 PHE 172 585 GLY 173 586 THR 174 587 VAL 175 588 LYS 176 589 ILE 177 590 PHE 178 591 GLU 179 592 VAL 180 593 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value GB AAB91198 "predicted coding region AF_0040 [Archaeoglobus fulgidus DSM 4304]" 89.44 593 100.00 100.00 4.60e-110 REF WP_048064157 "oligosaccharyl transferase STT3 subunit [Archaeoglobus fulgidus]" 89.44 588 100.00 100.00 6.96e-110 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $AfAglB-S2 euryarchaeotes 2234 Archae . Archaeoglobus fulgidus 'DSM 4304' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $AfAglB-S2 'recombinant technology' . Escherichia coli 'BL21 Gold (DE3)' pET47b+ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Added DTT to suppress oligomerisation' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AfAglB-S2 1.0 mM '[U-99% 13C; U-99% 15N]' $AfAglB-S2 1.0 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details 'For relaxation studies' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AfAglB-S2 0.5-1.0 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Zhengrong and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_ModelFree _Saveframe_category software _Name ModelFree _Version 4.16 loop_ _Vendor _Address _Electronic_address Palmer . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_1H-15N_heteronuclear_noe_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N heteronuclear noe' _Sample_label $Sample_2 save_ save_1H-15N_heteronuclear_noe_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N heteronuclear noe' _Sample_label $Sample_2 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sample_2 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'For residue assignment studies sample was prepared in buffer containing NaCl at a total concentration of 50mM.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.0 . pH pressure 1 . atm temperature 308 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 'For relaxation studies sample was exchanged in low ionic strength buffer' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 5 . mM pH 7.0 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name AfAglB-S2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 10 10 ALA H H 8.295 0.02 1 2 10 10 ALA N N 126.385 0.05 1 3 11 11 ALA H H 8.022 0.02 1 4 11 11 ALA N N 122.337 0.05 1 5 12 12 LEU H H 7.904 0.02 1 6 12 12 LEU N N 120.277 0.05 1 7 13 13 GLU H H 8.215 0.02 1 8 13 13 GLU N N 120.597 0.05 1 9 14 14 VAL H H 7.771 0.02 1 10 14 14 VAL N N 119.251 0.05 1 11 15 15 LEU H H 7.838 0.02 1 12 15 15 LEU N N 123.932 0.05 1 13 16 16 PHE H H 7.964 0.02 1 14 16 16 PHE N N 119.659 0.05 1 15 17 17 GLN H H 8.033 0.02 1 16 17 17 GLN N N 121.225 0.05 1 17 18 18 GLY H H 8.008 0.02 1 18 18 18 GLY N N 110.46 0.05 1 19 433 20 GLU H H 8.58 0.02 1 20 433 20 GLU N N 120.341 0.05 1 21 434 21 MET H H 8.532 0.02 1 22 434 21 MET N N 125.259 0.05 1 23 435 22 THR H H 7.013 0.02 1 24 435 22 THR N N 116.377 0.05 1 25 438 25 TRP H H 7.274 0.02 1 26 438 25 TRP N N 118.499 0.05 1 27 439 26 LYS H H 8.383 0.02 1 28 439 26 LYS N N 119.844 0.05 1 29 440 27 GLU H H 8.143 0.02 1 30 440 27 GLU N N 118.352 0.05 1 31 441 28 ALA H H 7.983 0.02 1 32 441 28 ALA N N 123.518 0.05 1 33 442 29 LEU H H 9.08 0.02 1 34 442 29 LEU N N 118.488 0.05 1 35 443 30 ASN H H 7.691 0.02 1 36 443 30 ASN N N 117.424 0.05 1 37 444 31 TRP H H 8.243 0.02 1 38 444 31 TRP N N 120.824 0.05 1 39 445 32 MET H H 9.059 0.02 1 40 445 32 MET N N 119.296 0.05 1 41 446 33 LYS H H 7.988 0.02 1 42 446 33 LYS N N 118.233 0.05 1 43 447 34 GLU H H 7.045 0.02 1 44 447 34 GLU N N 113.251 0.05 1 45 448 35 ASN H H 7.476 0.02 1 46 448 35 ASN N N 112.971 0.05 1 47 449 36 LEU H H 7.216 0.02 1 48 449 36 LEU N N 118.887 0.05 1 49 450 37 GLU H H 8.228 0.02 1 50 450 37 GLU N N 121.599 0.05 1 51 451 38 ALA H H 8.4 0.02 1 52 451 38 ALA N N 126.781 0.05 1 53 452 39 GLN H H 8.458 0.02 1 54 452 39 GLN N N 119.571 0.05 1 55 453 40 ASP H H 8.429 0.02 1 56 453 40 ASP N N 121.982 0.05 1 57 454 41 TYR H H 7.968 0.02 1 58 454 41 TYR N N 121.378 0.05 1 59 455 42 LEU H H 7.819 0.02 1 60 455 42 LEU N N 121.313 0.05 1 61 456 43 LYS H H 7.92 0.02 1 62 456 43 LYS N N 120.277 0.05 1 63 457 44 ALA H H 8 0.02 1 64 457 44 ALA N N 122.89 0.05 1 65 458 45 TYR H H 7.667 0.02 1 66 458 45 TYR N N 115.541 0.05 1 67 459 46 GLU H H 7.872 0.02 1 68 459 46 GLU N N 120.683 0.05 1 69 460 47 LYS H H 8.112 0.02 1 70 460 47 LYS N N 121.39 0.05 1 71 462 49 ASP H H 8.531 0.02 1 72 462 49 ASP N N 120.932 0.05 1 73 463 50 TYR H H 7.378 0.02 1 74 463 50 TYR N N 113.649 0.05 1 75 464 51 ALA H H 8.47 0.02 1 76 464 51 ALA N N 120.349 0.05 1 77 465 52 VAL H H 9.066 0.02 1 78 465 52 VAL N N 121.317 0.05 1 79 466 53 LEU H H 9.397 0.02 1 80 466 53 LEU N N 131.096 0.05 1 81 467 54 SER H H 8.683 0.02 1 82 467 54 SER N N 121.884 0.05 1 83 468 55 TRP H H 8.7 0.02 1 84 468 55 TRP N N 116.576 0.05 1 85 470 57 ASP H H 6.125 0.02 1 86 470 57 ASP N N 120.557 0.05 1 87 471 58 TYR H H 6.146 0.02 1 88 471 58 TYR N N 115.554 0.05 1 89 472 59 GLY H H 7.788 0.02 1 90 472 59 GLY N N 106.459 0.05 1 91 473 60 ASN H H 8.774 0.02 1 92 473 60 ASN N N 120.406 0.05 1 93 474 61 TRP H H 7.694 0.02 1 94 474 61 TRP N N 120.564 0.05 1 95 475 62 ILE H H 7.755 0.02 1 96 475 62 ILE N N 121.45 0.05 1 97 476 63 LEU H H 8.458 0.02 1 98 476 63 LEU N N 120.064 0.05 1 99 477 64 TYR H H 8.39 0.02 1 100 477 64 TYR N N 113.432 0.05 1 101 478 65 VAL H H 8.552 0.02 1 102 478 65 VAL N N 118.858 0.05 1 103 479 66 ALA H H 7.311 0.02 1 104 479 66 ALA N N 117.477 0.05 1 105 480 67 LYS H H 7.027 0.02 1 106 480 67 LYS N N 112.398 0.05 1 107 481 68 LYS H H 7.606 0.02 1 108 481 68 LYS N N 117.758 0.05 1 109 482 69 ALA H H 8.016 0.02 1 110 482 69 ALA N N 120.598 0.05 1 111 483 70 VAL H H 7.841 0.02 1 112 483 70 VAL N N 108.45 0.05 1 113 489 76 GLN H H 7.684 0.02 1 114 489 76 GLN N N 118.107 0.05 1 115 490 77 ALA H H 7.389 0.02 1 116 490 77 ALA N N 122.985 0.05 1 117 491 78 GLY H H 8.677 0.02 1 118 491 78 GLY N N 111.606 0.05 1 119 492 79 ALA H H 7.545 0.02 1 120 492 79 ALA N N 124.842 0.05 1 121 493 80 ASP H H 8.837 0.02 1 122 493 80 ASP N N 117.925 0.05 1 123 494 81 ASP H H 7.861 0.02 1 124 494 81 ASP N N 122.911 0.05 1 125 495 82 ALA H H 7.78 0.02 1 126 495 82 ALA N N 120.921 0.05 1 127 496 83 ALA H H 9.323 0.02 1 128 496 83 ALA N N 120.27 0.05 1 129 497 84 LYS H H 8.982 0.02 1 130 497 84 LYS N N 121.362 0.05 1 131 498 85 PHE H H 8.156 0.02 1 132 498 85 PHE N N 119.129 0.05 1 133 499 86 PHE H H 8.643 0.02 1 134 499 86 PHE N N 114.792 0.05 1 135 500 87 THR H H 7.877 0.02 1 136 500 87 THR N N 103.293 0.05 1 137 501 88 ALA H H 7.149 0.02 1 138 501 88 ALA N N 125.762 0.05 1 139 502 89 GLN H H 8.771 0.02 1 140 502 89 GLN N N 118.974 0.05 1 141 503 90 SER H H 7.412 0.02 1 142 503 90 SER N N 111.355 0.05 1 143 505 92 GLU H H 8.893 0.02 1 144 505 92 GLU N N 119.225 0.05 1 145 506 93 GLU H H 7.505 0.02 1 146 506 93 GLU N N 118.664 0.05 1 147 507 94 ALA H H 7.612 0.02 1 148 507 94 ALA N N 123.066 0.05 1 149 508 95 MET H H 8.734 0.02 1 150 508 95 MET N N 115.864 0.05 1 151 509 96 LYS H H 7.497 0.02 1 152 509 96 LYS N N 119.546 0.05 1 153 510 97 ILE H H 7.296 0.02 1 154 510 97 ILE N N 119.53 0.05 1 155 511 98 VAL H H 7.54 0.02 1 156 511 98 VAL N N 120.782 0.05 1 157 512 99 GLU H H 8.239 0.02 1 158 512 99 GLU N N 117.501 0.05 1 159 513 100 LYS H H 7.537 0.02 1 160 513 100 LYS N N 119.761 0.05 1 161 514 101 ARG H H 7.845 0.02 1 162 514 101 ARG N N 111.842 0.05 1 163 515 102 LYS H H 7.667 0.02 1 164 515 102 LYS N N 118.459 0.05 1 165 516 103 VAL H H 8.114 0.02 1 166 516 103 VAL N N 119.01 0.05 1 167 517 104 ARG H H 8.371 0.02 1 168 517 104 ARG N N 124.652 0.05 1 169 518 105 TYR H H 7.324 0.02 1 170 518 105 TYR N N 112.381 0.05 1 171 519 106 VAL H H 9.335 0.02 1 172 519 106 VAL N N 121.949 0.05 1 173 520 107 VAL H H 9.025 0.02 1 174 520 107 VAL N N 127.475 0.05 1 175 521 108 THR H H 9.592 0.02 1 176 521 108 THR N N 119.814 0.05 1 177 522 109 VAL H H 5.881 0.02 1 178 522 109 VAL N N 114.75 0.05 1 179 523 110 GLU H H 8.752 0.02 1 180 523 110 GLU N N 129.332 0.05 1 181 524 111 GLU H H 8.699 0.02 1 182 524 111 GLU N N 117.009 0.05 1 183 525 112 LEU H H 7.768 0.02 1 184 525 112 LEU N N 116.059 0.05 1 185 526 113 THR H H 7.425 0.02 1 186 526 113 THR N N 101.945 0.05 1 187 530 117 GLU H H 8.723 0.02 1 188 530 117 GLU N N 114.811 0.05 1 189 531 118 THR H H 7.51 0.02 1 190 531 118 THR N N 114.173 0.05 1 191 534 121 THR H H 7.978 0.02 1 192 534 121 THR N N 117.445 0.05 1 193 535 122 LYS H H 8.431 0.02 1 194 535 122 LYS N N 125.919 0.05 1 195 536 123 PHE H H 8.857 0.02 1 196 536 123 PHE N N 121.409 0.05 1 197 537 124 ILE H H 6.771 0.02 1 198 537 124 ILE N N 114.167 0.05 1 199 539 126 ILE H H 6.774 0.02 1 200 539 126 ILE N N 117.43 0.05 1 201 540 127 MET H H 7.907 0.02 1 202 540 127 MET N N 117.769 0.05 1 203 541 128 GLN H H 8.294 0.02 1 204 541 128 GLN N N 117.876 0.05 1 205 542 129 ILE H H 8.531 0.02 1 206 542 129 ILE N N 122.325 0.05 1 207 543 130 ALA H H 7.952 0.02 1 208 543 130 ALA N N 120.983 0.05 1 209 544 131 GLY H H 7.609 0.02 1 210 544 131 GLY N N 104.178 0.05 1 211 545 132 TYR H H 8.071 0.02 1 212 545 132 TYR N N 119.845 0.05 1 213 546 133 SER H H 8.668 0.02 1 214 546 133 SER N N 112.936 0.05 1 215 548 135 GLU H H 10.242 0.02 1 216 548 135 GLU N N 121.671 0.05 1 217 549 136 TYR H H 7.356 0.02 1 218 549 136 TYR N N 117.838 0.05 1 219 550 137 MET H H 7.644 0.02 1 220 550 137 MET N N 120.117 0.05 1 221 551 138 LYS H H 8.906 0.02 1 222 551 138 LYS N N 121.339 0.05 1 223 553 140 LYS H H 8.691 0.02 1 224 553 140 LYS N N 117.534 0.05 1 225 554 141 GLU H H 7.011 0.02 1 226 554 141 GLU N N 116.674 0.05 1 227 555 142 ILE H H 7.88 0.02 1 228 555 142 ILE N N 122.099 0.05 1 229 556 143 ILE H H 7.942 0.02 1 230 556 143 ILE N N 121.376 0.05 1 231 557 144 ASP H H 8.103 0.02 1 232 557 144 ASP N N 119.537 0.05 1 233 558 145 PHE H H 7.837 0.02 1 234 558 145 PHE N N 119.324 0.05 1 235 559 146 PHE H H 9.013 0.02 1 236 559 146 PHE N N 120.268 0.05 1 237 560 147 ASN H H 8.107 0.02 1 238 560 147 ASN N N 117.428 0.05 1 239 561 148 LYS H H 7.229 0.02 1 240 561 148 LYS N N 117.012 0.05 1 241 562 149 THR H H 7.426 0.02 1 242 562 149 THR N N 108.387 0.05 1 243 563 150 MET H H 8.121 0.02 1 244 563 150 MET N N 119.263 0.05 1 245 564 151 LEU H H 8.115 0.02 1 246 564 151 LEU N N 117.983 0.05 1 247 565 152 TYR H H 7.213 0.02 1 248 565 152 TYR N N 120.978 0.05 1 249 566 153 LYS H H 8.011 0.02 1 250 566 153 LYS N N 119.949 0.05 1 251 567 154 LEU H H 8.232 0.02 1 252 567 154 LEU N N 117.86 0.05 1 253 568 155 HIS H H 8.351 0.02 1 254 568 155 HIS N N 115.987 0.05 1 255 569 156 VAL H H 7.75 0.02 1 256 569 156 VAL N N 115.192 0.05 1 257 570 157 GLU H H 6.67 0.02 1 258 570 157 GLU N N 112.971 0.05 1 259 571 158 ASN H H 7.287 0.02 1 260 571 158 ASN N N 116.931 0.05 1 261 572 159 ALA H H 8.504 0.02 1 262 572 159 ALA N N 112.176 0.05 1 263 573 160 THR H H 7.761 0.02 1 264 573 160 THR N N 113.564 0.05 1 265 574 161 ASN H H 8.958 0.02 1 266 574 161 ASN N N 118.246 0.05 1 267 575 162 LEU H H 7.202 0.02 1 268 575 162 LEU N N 118.878 0.05 1 269 576 163 THR H H 10.748 0.02 1 270 576 163 THR N N 119.365 0.05 1 271 577 164 HIS H H 10.59 0.02 1 272 577 164 HIS N N 121.09 0.05 1 273 578 165 PHE H H 6.76 0.02 1 274 578 165 PHE N N 113.051 0.05 1 275 579 166 ARG H H 8.862 0.02 1 276 579 166 ARG N N 118.371 0.05 1 277 580 167 LEU H H 9.184 0.02 1 278 580 167 LEU N N 127.471 0.05 1 279 581 168 LEU H H 9.262 0.02 1 280 581 168 LEU N N 131.214 0.05 1 281 582 169 LYS H H 7.178 0.02 1 282 582 169 LYS N N 115.596 0.05 1 283 584 171 PHE H H 8.564 0.02 1 284 584 171 PHE N N 125.961 0.05 1 285 585 172 GLY H H 8.151 0.02 1 286 585 172 GLY N N 108.241 0.05 1 287 586 173 THR H H 8.423 0.02 1 288 586 173 THR N N 117.907 0.05 1 289 587 174 VAL H H 6.894 0.02 1 290 587 174 VAL N N 122.443 0.05 1 291 588 175 LYS H H 8.746 0.02 1 292 588 175 LYS N N 125.259 0.05 1 293 589 176 ILE H H 8.012 0.02 1 294 589 176 ILE N N 118.332 0.05 1 295 590 177 PHE H H 10.002 0.02 1 296 590 177 PHE N N 126.151 0.05 1 297 591 178 GLU H H 9.384 0.02 1 298 591 178 GLU N N 122.568 0.05 1 299 592 179 VAL H H 7.801 0.02 1 300 592 179 VAL N N 125.67 0.05 1 301 593 180 LYS H H 8.317 0.02 1 302 593 180 LYS N N 132.963 0.05 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $Sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name AfAglB-S2 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 20 GLU N 1.321 0.006 2 21 MET N 1.338 0.029 3 25 TRP N 1.173 0.007 4 26 LYS N 1.181 0.006 5 27 GLU N 1.187 0.0047 6 28 ALA N 1.191 0.0053 7 29 LEU N 1.203 0.0099 8 30 ASN N 1.156 0.0052 9 31 TRP N 1.239 0.005 10 32 MET N 1.168 0.0116 11 33 LYS N 1.188 0.004 12 34 GLU N 1.170 0.007 13 35 ASN N 1.134 0.0067 14 37 GLU N 1.421 0.0089 15 38 ALA N 1.462 0.0115 16 39 GLN N 1.357 0.0137 17 40 ASP N 1.437 0.013 18 41 TYR N 1.439 0.0055 19 42 LEU N 1.587 0.0042 20 44 ALA N 1.456 0.0106 21 45 TYR N 1.520 0.0041 22 46 GLU N 1.540 0.0063 23 47 LYS N 1.495 0.003 24 49 ASP N 1.472 0.0055 25 50 TYR N 1.321 0.0084 26 51 ALA N 1.210 0.0096 27 52 VAL N 1.187 0.011 28 53 LEU N 1.249 0.0169 29 54 SER N 1.286 0.0145 30 55 TRP N 1.229 0.0131 31 57 ASP N 1.248 0.0102 32 58 TYR N 1.261 0.0112 33 59 GLY N 1.212 0.0098 34 60 ASN N 1.291 0.0102 35 61 TRP N 1.103 0.0066 36 62 ILE N 1.174 0.0093 37 63 LEU N 1.206 0.0093 38 64 TYR N 1.136 0.0149 39 65 VAL N 1.141 0.0213 40 66 ALA N 1.186 0.0122 41 67 LYS N 1.193 0.0129 42 68 LYS N 1.152 0.0102 43 69 ALA N 1.182 0.0066 44 70 VAL N 0.969 0.0117 45 76 GLN N 1.325 0.0078 46 77 ALA N 1.263 0.0075 47 79 ALA N 1.333 0.0075 48 80 ASP N 1.259 0.0064 49 81 ASP N 1.169 0.0072 50 82 ALA N 1.235 0.0062 51 83 ALA N 1.236 0.0109 52 84 LYS N 1.176 0.0073 53 86 PHE N 1.218 0.0082 54 88 ALA N 1.171 0.0041 55 89 GLN N 1.295 0.0088 56 90 SER N 1.186 0.0038 57 92 GLU N 1.291 0.0043 58 93 GLU N 1.174 0.0046 59 94 ALA N 1.218 0.0042 60 95 MET N 1.157 0.0055 61 96 LYS N 1.155 0.0042 62 97 ILE N 1.147 0.0068 63 98 VAL N 1.152 0.0086 64 99 GLU N 1.140 0.0048 65 100 LYS N 1.130 0.0046 66 101 ARG N 1.135 0.0071 67 102 LYS N 1.228 0.0059 68 103 VAL N 1.163 0.0036 69 104 ARG N 1.222 0.0196 70 105 TYR N 1.235 0.0096 71 106 VAL N 1.196 0.0071 72 107 VAL N 1.216 0.0096 73 108 THR N 1.212 0.0071 74 109 VAL N 1.131 0.0086 75 110 GLU N 1.171 0.012 76 111 GLU N 1.327 0.0161 77 112 LEU N 1.256 0.008 78 113 THR N 1.188 0.0079 79 117 GLU N 1.349 0.0092 80 118 THR N 1.461 0.0041 81 121 THR N 1.260 0.0209 82 122 LYS N 1.283 0.0174 83 124 ILE N 1.346 0.0381 84 126 ILE N 1.195 0.0092 85 127 MET N 1.189 0.0079 86 128 GLN N 1.244 0.006 87 129 ILE N 1.227 0.0089 88 130 ALA N 1.255 0.0042 89 131 GLY N 1.170 0.0041 90 132 TYR N 1.131 0.0044 91 133 SER N 1.480 0.0058 92 135 GLU N 1.223 0.0086 93 136 TYR N 1.164 0.0045 94 137 MET N 1.075 0.0037 95 138 LYS N 1.144 0.0056 96 140 LYS N 1.137 0.0346 97 142 ILE N 1.169 0.0061 98 143 ILE N 1.166 0.0053 99 144 ASP N 1.144 0.0047 100 145 PHE N 1.178 0.0045 101 146 PHE N 1.169 0.0068 102 147 ASN N 1.162 0.0041 103 148 LYS N 1.182 0.0049 104 149 THR N 1.172 0.005 105 151 LEU N 1.211 0.006 106 152 TYR N 1.246 0.007 107 153 LYS N 1.249 0.008 108 154 LEU N 1.193 0.006 109 155 HIS N 1.226 0.007 110 156 VAL N 1.258 0.006 111 157 GLU N 1.209 0.006 112 158 ASN N 1.266 0.004 113 159 ALA N 1.202 0.006 114 160 THR N 1.225 0.003 115 161 ASN N 1.258 0.005 116 163 THR N 1.076 0.007 117 164 HIS N 1.111 0.007 118 165 PHE N 1.138 0.003 119 166 ARG N 1.136 0.005 120 167 LEU N 1.214 0.006 121 168 LEU N 1.242 0.015 122 169 LYS N 1.175 0.005 123 171 PHE N 1.172 0.007 124 172 GLY N 1.216 0.003 125 173 THR N 1.231 0.010 126 174 VAL N 1.238 0.006 127 175 LYS N 1.226 0.008 128 176 ILE N 1.200 0.005 129 177 PHE N 1.190 0.006 130 178 GLU N 1.200 0.011 131 179 VAL N 1.152 0.006 132 180 LYS N 1.185 0.005 stop_ save_ save_heteronuclear_T1_list_2 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $Sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 700 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name AfAglB-S2 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 20 GLU N 1.16 0.004 2 21 MET N 1.204 0.02 3 25 TRP N 0.958 0.005 4 26 LYS N 0.903 0.004 5 27 GLU N 0.921 0.003 6 28 ALA N 0.943 0.003 7 29 LEU N 0.942 0.007 8 30 ASN N 0.924 0.004 9 31 TRP N 0.951 0.003 10 32 MET N 0.958 0.008 11 33 LYS N 0.953 0.003 12 34 GLU N 0.946 0.004 13 35 ASN N 0.915 0.004 14 37 GLU N 1.216 0.006 15 38 ALA N 1.291 0.007 16 39 GLN N 1.247 0.009 17 40 ASP N 1.319 0.008 18 41 TYR N 1.307 0.004 19 42 LEU N 1.375 0.003 20 44 ALA N 1.343 0.006 21 45 TYR N 1.366 0.003 22 46 GLU N 1.382 0.003 23 47 LYS N 1.339 0.002 24 49 ASP N 1.293 0.004 25 50 TYR N 1.05 0.006 26 51 ALA N 0.965 0.005 27 52 VAL N 0.92 0.009 28 53 LEU N 0.992 0.012 29 54 SER N 1.013 0.011 30 55 TRP N 1.015 0.011 31 57 ASP N 1.052 0.008 32 58 TYR N 1.068 0.009 33 59 GLY N 1 0.007 34 60 ASN N 1.006 0.009 35 61 TRP N 0.919 0.004 36 62 ILE N 0.966 0.006 37 63 LEU N 0.942 0.006 38 64 TYR N 0.939 0.01 39 65 VAL N 0.9 0.014 40 66 ALA N 0.967 0.009 41 67 LYS N 0.99 0.009 42 68 LYS N 0.938 0.007 43 69 ALA N 0.997 0.005 44 70 VAL N 0.859 0.012 45 76 GLN N 1.157 0.006 46 77 ALA N 1.111 0.005 47 79 ALA N 1.144 0.006 48 80 ASP N 1.02 0.004 49 81 ASP N 0.958 0.006 50 82 ALA N 1.003 0.005 51 83 ALA N 0.977 0.008 52 84 LYS N 0.942 0.005 53 86 PHE N 0.995 0.005 54 88 ALA N 0.916 0.002 55 89 GLN N 1.053 0.005 56 90 SER N 0.981 0.002 57 92 GLU N 1.073 0.003 58 93 GLU N 0.946 0.002 59 94 ALA N 0.967 0.003 60 95 MET N 0.913 0.003 61 96 LYS N 0.918 0.002 62 97 ILE N 0.918 0.003 63 98 VAL N 0.922 0.005 64 99 GLU N 0.883 0.003 65 100 LYS N 0.899 0.003 66 101 ARG N 0.914 0.005 67 102 LYS N 0.981 0.004 68 103 VAL N 0.973 0.002 69 104 ARG N 0.97 0.012 70 105 TYR N 1.021 0.006 71 106 VAL N 0.93 0.005 72 107 VAL N 0.997 0.006 73 108 THR N 0.983 0.004 74 109 VAL N 0.935 0.004 75 110 GLU N 0.952 0.009 76 111 GLU N 1.059 0.012 77 112 LEU N 1.023 0.006 78 113 THR N 0.969 0.005 79 117 GLU N 1.193 0.007 80 118 THR N 1.264 0.002 81 121 THR N 1.135 0.012 82 122 LYS N 1.037 0.009 83 124 ILE N 0.971 0.024 84 126 ILE N 0.957 0.007 85 127 MET N 0.965 0.005 86 128 GLN N 0.988 0.004 87 129 ILE N 0.987 0.005 88 130 ALA N 1.027 0.003 89 131 GLY N 0.943 0.003 90 132 TYR N 0.906 0.003 91 133 SER N 1.327 0.003 92 135 GLU N 1.007 0.006 93 136 TYR N 0.954 0.002 94 137 MET N 0.877 0.002 95 138 LYS N 0.922 0.004 96 140 LYS N 1.113 0.024 97 142 ILE N 0.934 0.004 98 143 ILE N 0.995 0.003 99 144 ASP N 0.899 0.003 100 145 PHE N 1.363 0.004 101 146 PHE N 0.899 0.005 102 147 ASN N 0.921 0.003 103 148 LYS N 0.936 0.003 104 149 THR N 0.939 0.004 105 151 LEU N 0.981 0.004 106 152 TYR N 0.98 0.004 107 153 LYS N 0.995 0.005 108 154 LEU N 0.916 0.004 109 155 HIS N 0.952 0.005 110 156 VAL N 0.98 0.004 111 157 GLU N 0.961 0.004 112 158 ASN N 0.988 0.003 113 159 ALA N 0.944 0.004 114 160 THR N 0.976 0.002 115 161 ASN N 1.023 0.003 116 163 THR N 0.918 0.006 117 164 HIS N 0.895 0.006 118 165 PHE N 0.914 0.002 119 166 ARG N 0.899 0.004 120 167 LEU N 0.986 0.004 121 168 LEU N 0.967 0.01 122 169 LYS N 0.929 0.003 123 171 PHE N 0.938 0.004 124 172 GLY N 1.059 0.002 125 173 THR N 1.036 0.006 126 174 VAL N 1.02 0.004 127 175 LYS N 0.98 0.006 128 176 ILE N 0.965 0.003 129 177 PHE N 0.952 0.007 130 178 GLU N 0.957 0.004 131 179 VAL N 0.924 0.004 132 180 LYS N 0.969 0.003 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $Sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name AfAglB-S2 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 20 GLU N 13.57 0.05 . . 2 21 MET N 16.98 0.3 . . 3 25 TRP N 17.39 0.085 . . 4 26 LYS N 17.89 0.074 . . 5 27 GLU N 18.34 0.052 . . 6 28 ALA N 17.08 0.054 . . 7 29 LEU N 17.76 0.105 . . 8 30 ASN N 18.42 0.073 . . 9 31 TRP N 14.98 0.045 . . 10 32 MET N 18.76 0.145 . . 11 33 LYS N 17.50 0.053 . . 12 34 GLU N 17.16 0.078 . . 13 35 ASN N 17.04 0.074 . . 14 37 GLU N 15.04 0.069 . . 15 38 ALA N 15.29 0.095 . . 16 39 GLN N 12.00 0.099 . . 17 40 ASP N 10.90 0.081 . . 18 41 TYR N 14.60 0.049 . . 19 42 LEU N 11.86 0.025 . . 20 44 ALA N 10.57 0.06 . . 21 45 TYR N 12.80 0.034 . . 22 46 GLU N 10.41 0.031 . . 23 47 LYS N 9.65 0.016 . . 24 49 ASP N 11.89 0.036 . . 25 50 TYR N 19.03 0.108 . . 26 51 ALA N 17.32 0.097 . . 27 52 VAL N 16.60 0.115 . . 28 53 LEU N 18.85 0.213 . . 29 54 SER N 16.98 0.159 . . 30 55 TRP N 20.27 0.2 . . 31 57 ASP N 21.84 0.183 . . 32 58 TYR N 22.38 0.205 . . 33 59 GLY N 18.41 0.115 . . 34 60 ASN N 19.71 0.143 . . 35 61 TRP N 17.88 0.075 . . 36 62 ILE N 19.99 0.134 . . 37 63 LEU N 18.87 0.113 . . 38 64 TYR N 22.31 0.269 . . 39 65 VAL N 25.25 0.55 . . 40 66 ALA N 24.48 0.287 . . 41 67 LYS N 20.75 0.19 . . 42 68 LYS N 18.20 0.124 . . 43 69 ALA N 15.44 0.057 . . 44 70 VAL N 9.62 0.087 . . 45 76 GLN N 20.02 0.106 . . 46 77 ALA N 13.08 0.054 . . 47 79 ALA N 17.04 0.081 . . 48 80 ASP N 18.13 0.069 . . 49 81 ASP N 18.16 0.096 . . 50 82 ALA N 16.41 0.068 . . 51 83 ALA N 16.97 0.106 . . 52 84 LYS N 16.91 0.078 . . 53 86 PHE N 17.19 0.092 . . 54 88 ALA N 17.82 0.049 . . 55 89 GLN N 14.57 0.069 . . 56 90 SER N 14.46 0.025 . . 57 92 GLU N 16.64 0.042 . . 58 93 GLU N 16.79 0.04 . . 59 94 ALA N 16.03 0.04 . . 60 95 MET N 17.68 0.059 . . 61 96 LYS N 18.14 0.048 . . 62 97 ILE N 16.99 0.064 . . 63 98 VAL N 18.05 0.096 . . 64 99 GLU N 18.30 0.057 . . 65 100 LYS N 17.15 0.044 . . 66 101 ARG N 16.92 0.079 . . 67 102 LYS N 18.96 0.066 . . 68 103 VAL N 17.31 0.038 . . 69 104 ARG N 16.41 0.197 . . 70 105 TYR N 15.57 0.098 . . 71 106 VAL N 15.38 0.076 . . 72 107 VAL N 15.86 0.096 . . 73 108 THR N 17.10 0.079 . . 74 109 VAL N 17.07 0.091 . . 75 110 GLU N 17.40 0.152 . . 76 111 GLU N 18.29 0.199 . . 77 112 LEU N 18.74 0.106 . . 78 113 THR N 16.88 0.083 . . 79 117 GLU N 14.42 0.08 . . 80 118 THR N 15.43 0.037 . . 81 121 THR N 21.39 0.378 . . 82 122 LYS N 20.79 0.258 . . 83 124 ILE N 20.18 0.607 . . 84 126 ILE N 17.34 0.114 . . 85 127 MET N 16.71 0.078 . . 86 128 GLN N 16.72 0.064 . . 87 129 ILE N 16.00 0.076 . . 88 130 ALA N 15.80 0.042 . . 89 131 GLY N 16.56 0.048 . . 90 132 TYR N 16.63 0.047 . . 91 133 SER N 11.70 0.035 . . 92 135 GLU N 16.61 0.081 . . 93 136 TYR N 16.15 0.044 . . 94 137 MET N 15.13 0.036 . . 95 138 LYS N 14.69 0.049 . . 96 140 LYS N 17.50 0.42 . . 97 142 ILE N 16.72 0.071 . . 98 143 ILE N 16.69 0.054 . . 99 144 ASP N 17.66 0.048 . . 100 145 PHE N 16.87 0.047 . . 101 146 PHE N 17.40 0.077 . . 102 147 ASN N 18.53 0.056 . . 103 148 LYS N 17.33 0.053 . . 104 149 THR N 15.71 0.055 . . 105 151 LEU N 17.21 0.068 . . 106 152 TYR N 16.26 0.074 . . 107 153 LYS N 16.46 0.081 . . 108 154 LEU N 18.20 0.074 . . 109 155 HIS N 16.72 0.08 . . 110 156 VAL N 16.81 0.065 . . 111 157 GLU N 15.55 0.057 . . 112 158 ASN N 17.64 0.054 . . 113 159 ALA N 17.25 0.076 . . 114 160 THR N 18.62 0.04 . . 115 161 ASN N 16.41 0.051 . . 116 163 THR N 15.47 0.074 . . 117 164 HIS N 15.79 0.076 . . 118 165 PHE N 16.82 0.039 . . 119 166 ARG N 16.43 0.06 . . 120 167 LEU N 15.89 0.064 . . 121 168 LEU N 18.07 0.186 . . 122 169 LYS N 16.23 0.054 . . 123 171 PHE N 15.09 0.069 . . 124 172 GLY N 10.83 0.018 . . 125 173 THR N 15.78 0.102 . . 126 174 VAL N 15.47 0.056 . . 127 175 LYS N 16.11 0.084 . . 128 176 ILE N 16.48 0.052 . . 129 177 PHE N 15.95 0.111 . . 130 178 GLU N 15.98 0.068 . . 131 179 VAL N 16.67 0.069 . . 132 180 LYS N 16.66 0.057 . . stop_ save_ save_heteronuclear_T2_list_2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $Sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 700 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name AfAglB-S2 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 20 GLU N 17.90 0.053 . . 2 21 MET N 22.55 0.435 . . 3 25 TRP N 21.85 0.115 . . 4 26 LYS N 23.18 0.109 . . 5 27 GLU N 23.43 0.087 . . 6 28 ALA N 21.78 0.078 . . 7 29 LEU N 22.43 0.159 . . 8 30 ASN N 23.70 0.121 . . 9 31 TRP N 21.22 0.08 . . 10 32 MET N 24.33 0.247 . . 11 33 LYS N 22.68 0.08 . . 12 34 GLU N 20.40 0.092 . . 13 35 ASN N 20.52 0.098 . . 14 37 GLU N 19.57 0.102 . . 15 38 ALA N 19.46 0.11 . . 16 39 GLN N 15.26 0.1 . . 17 40 ASP N 14.21 0.08 . . 18 41 TYR N 18.52 0.061 . . 19 42 LEU N 15.51 0.027 . . 20 44 ALA N 13.30 0.057 . . 21 45 TYR N 15.99 0.039 . . 22 46 GLU N 13.18 0.03 . . 23 47 LYS N 12.28 0.017 . . 24 49 ASP N 15.29 0.039 . . 25 50 TYR N 22.50 0.169 . . 26 51 ALA N 22.82 0.143 . . 27 52 VAL N 22.64 0.215 . . 28 53 LEU N 22.70 0.31 . . 29 54 SER N 23.46 0.316 . . 30 55 TRP N 26.96 0.43 . . 31 57 ASP N 29.86 0.451 . . 32 58 TYR N 28.39 0.369 . . 33 59 GLY N 32.54 0.423 . . 34 60 ASN N 27.17 0.353 . . 35 61 TRP N 23.37 0.126 . . 36 62 ILE N 25.27 0.208 . . 37 63 LEU N 25.34 0.215 . . 38 64 TYR N 28.71 0.463 . . 39 65 VAL N 35.67 1.068 . . 40 66 ALA N 31.44 0.508 . . 41 67 LYS N 28.08 0.373 . . 42 68 LYS N 23.12 0.215 . . 43 69 ALA N 21.22 0.1 . . 44 70 VAL N 25.21 0.544 . . 45 76 GLN N 25.72 0.198 . . 46 77 ALA N 17.47 0.074 . . 47 79 ALA N 21.91 0.15 . . 48 80 ASP N 24.22 0.132 . . 49 81 ASP N 23.73 0.166 . . 50 82 ALA N 21.82 0.11 . . 51 83 ALA N 22.40 0.214 . . 52 84 LYS N 23.08 0.134 . . 53 86 PHE N 21.27 0.127 . . 54 88 ALA N 21.58 0.053 . . 55 89 GLN N 18.65 0.095 . . 56 90 SER N 17.39 0.026 . . 57 92 GLU N 21.70 0.061 . . 58 93 GLU N 21.72 0.058 . . 59 94 ALA N 20.92 0.064 . . 60 95 MET N 21.85 0.093 . . 61 96 LYS N 23.78 0.075 . . 62 97 ILE N 22.54 0.087 . . 63 98 VAL N 22.96 0.148 . . 64 99 GLU N 23.28 0.086 . . 65 100 LYS N 22.32 0.068 . . 66 101 ARG N 20.82 0.112 . . 67 102 LYS N 24.22 0.111 . . 68 103 VAL N 22.44 0.06 . . 69 104 ARG N 21.51 0.287 . . 70 105 TYR N 19.35 0.13 . . 71 106 VAL N 20.54 0.124 . . 72 107 VAL N 19.71 0.101 . . 73 108 THR N 22.18 0.114 . . 74 109 VAL N 22.17 0.115 . . 75 110 GLU N 20.88 0.21 . . 76 111 GLU N 23.51 0.316 . . 77 112 LEU N 23.89 0.166 . . 78 113 THR N 21.04 0.117 . . 79 117 GLU N 17.38 0.092 . . 80 118 THR N 19.10 0.039 . . 81 121 THR N 26.92 0.393 . . 82 122 LYS N 26.14 0.342 . . 83 124 ILE N 25.55 0.896 . . 84 126 ILE N 21.44 0.153 . . 85 127 MET N 21.89 0.116 . . 86 128 GLN N 21.64 0.095 . . 87 129 ILE N 21.88 0.107 . . 88 130 ALA N 20.51 0.055 . . 89 131 GLY N 21.09 0.075 . . 90 132 TYR N 21.54 0.066 . . 91 133 SER N 13.58 0.032 . . 92 135 GLU N 22.50 0.136 . . 93 136 TYR N 20.69 0.052 . . 94 137 MET N 20.05 0.048 . . 95 138 LYS N 19.96 0.069 . . 96 140 LYS N 20.21 0.509 . . 97 142 ILE N 21.36 0.099 . . 98 143 ILE N 20.63 0.062 . . 99 144 ASP N 22.84 0.075 . . 100 145 PHE N 22.08 0.068 . . 101 146 PHE N 23.04 0.121 . . 102 147 ASN N 23.57 0.082 . . 103 148 LYS N 21.86 0.064 . . 104 149 THR N 21.18 0.083 . . 105 151 LEU N 22.33 0.101 . . 106 152 TYR N 21.94 0.092 . . 107 153 LYS N 22.09 0.123 . . 108 154 LEU N 23.11 0.109 . . 109 155 HIS N 20.61 0.105 . . 110 156 VAL N 20.77 0.092 . . 111 157 GLU N 18.97 0.074 . . 112 158 ASN N 22.62 0.073 . . 113 159 ALA N 20.99 0.094 . . 114 160 THR N 22.59 0.057 . . 115 161 ASN N 21.28 0.068 . . 116 163 THR N 20.12 0.118 . . 117 164 HIS N 21.05 0.125 . . 118 165 PHE N 20.04 0.051 . . 119 166 ARG N 21.02 0.081 . . 120 167 LEU N 19.95 0.081 . . 121 168 LEU N 21.98 0.263 . . 122 169 LYS N 20.04 0.064 . . 123 171 PHE N 17.65 0.072 . . 124 172 GLY N 14.98 0.023 . . 125 173 THR N 20.52 0.136 . . 126 174 VAL N 20.35 0.075 . . 127 175 LYS N 19.60 0.119 . . 128 176 ILE N 21.15 0.073 . . 129 177 PHE N 19.91 0.132 . . 130 178 GLU N 21.26 0.1 . . 131 179 VAL N 19.81 0.084 . . 132 180 LYS N 20.81 0.065 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '1H-15N heteronuclear noe' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _Mol_system_component_name AfAglB-S2 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 20 GLU 0.497 0.0400 21 MET 0.559 0.0380 25 TRP 0.829 0.0380 26 LYS 0.785 0.0380 27 GLU 0.788 0.0380 28 ALA 0.805 0.0380 29 LEU 0.795 0.0380 30 ASN 0.796 0.0380 31 TRP 0.693 0.0380 32 MET 0.774 0.0380 33 LYS 0.812 0.0380 34 GLU 0.706 0.0400 35 ASN 0.763 0.0380 37 GLU 0.641 0.0380 38 ALA 0.587 0.0380 39 GLN 0.508 0.0380 40 ASP 0.45 0.0380 41 TYR 0.552 0.0380 42 LEU 0.523 0.0380 44 ALA 0.476 0.0380 45 TYR 0.436 0.0380 46 GLU 0.446 0.0380 47 LYS 0.384 0.0380 49 ASP 0.526 0.0380 50 TYR 0.582 0.0380 51 ALA 0.774 0.0380 52 VAL 0.738 0.0380 53 LEU 0.845 0.0380 54 SER 0.894 0.0380 55 TRP 0.778 0.0380 57 ASP 0.722 0.0380 58 TYR 0.805 0.0380 59 GLY 0.781 0.0380 60 ASN 0.787 0.0380 61 TRP 0.863 0.0380 62 ILE 0.837 0.0380 63 LEU 0.791 0.0380 64 TYR 0.794 0.0380 65 VAL 0.745 0.0380 66 ALA 0.778 0.0380 67 LYS 0.788 0.0380 68 LYS 0.804 0.0380 69 ALA 0.684 0.0380 70 VAL 0.758 0.0380 76 GLN 0.665 0.0380 77 ALA 0.437 0.0380 79 ALA 0.781 0.0380 80 ASP 0.778 0.0380 81 ASP 0.806 0.0380 82 ALA 0.788 0.0380 83 ALA 0.791 0.0380 84 LYS 0.827 0.0380 86 PHE 0.807 0.0380 88 ALA 0.832 0.0380 89 GLN 0.737 0.0380 90 SER 0.606 0.0380 92 GLU 0.763 0.0380 93 GLU 0.802 0.0380 94 ALA 0.781 0.0380 95 MET 0.806 0.0380 96 LYS 0.792 0.0380 97 ILE 0.786 0.0380 98 VAL 0.816 0.0380 99 GLU 0.827 0.0380 100 LYS 0.768 0.0380 101 ARG 0.742 0.0380 102 LYS 0.792 0.0380 103 VAL 0.806 0.0380 104 ARG 0.703 0.0380 105 TYR 0.795 0.0380 106 VAL 0.792 0.0380 107 VAL 0.815 0.0380 108 THR 0.805 0.0380 109 VAL 0.824 0.0380 110 GLU 0.877 0.0380 111 GLU 0.772 0.0380 112 LEU 0.803 0.0380 113 THR 0.785 0.0380 117 GLU 0.529 0.0380 118 THR 0.534 0.0380 121 THR 0.518 0.0380 122 LYS 0.758 0.0380 124 ILE 0.771 0.0380 126 ILE 0.778 0.0380 127 MET 0.791 0.0380 128 GLN 0.764 0.0380 129 ILE 0.783 0.0380 130 ALA 0.771 0.0380 131 GLY 0.755 0.0380 132 TYR 0.793 0.0380 133 SER 0.624 0.0380 135 GLU 0.714 0.0380 136 TYR 0.643 0.0380 137 MET 0.701 0.0380 138 LYS 0.743 0.0380 140 LYS 0.734 0.0380 142 ILE 0.82 0.0380 143 ILE 0.743 0.0380 144 ASP 0.762 0.0380 145 PHE 0.791 0.0380 146 PHE 0.835 0.0380 147 ASN 0.818 0.0380 148 LYS 0.785 0.0380 149 THR 0.772 0.0380 151 LEU 0.81 0.0380 152 TYR 0.792 0.0380 153 LYS 0.823 0.0380 154 LEU 0.818 0.0380 155 HIS 0.83 0.0380 156 VAL 0.868 0.0380 157 GLU 0.825 0.0380 158 ASN 0.83 0.0380 159 ALA 0.807 0.0380 160 THR 0.807 0.0380 161 ASN 0.786 0.0400 163 THR 0.78 0.0380 164 HIS 0.782 0.0380 165 PHE 0.768 0.0380 166 ARG 0.799 0.0380 167 LEU 0.817 0.0380 168 LEU 0.843 0.0380 169 LYS 0.806 0.0390 171 PHE 0.795 0.0380 172 GLY 0.275 0.0380 173 THR 0.709 0.0380 174 VAL 0.737 0.0380 175 LYS 0.773 0.0380 176 ILE 0.82 0.0380 177 PHE 0.741 0.0380 178 GLU 0.806 0.0380 179 VAL 0.764 0.0380 180 LYS 0.67 0.0380 stop_ save_ save_heteronuclear_noe_list_2 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '1H-15N heteronuclear noe' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 700 _Mol_system_component_name AfAglB-S2 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 20 GLU 17.90 0.053 21 MET 22.55 0.435 25 TRP 21.85 0.115 26 LYS 23.18 0.109 27 GLU 23.43 0.087 28 ALA 21.78 0.078 29 LEU 22.43 0.159 30 ASN 23.70 0.121 31 TRP 21.22 0.08 32 MET 24.33 0.247 33 LYS 22.68 0.08 34 GLU 20.40 0.092 35 ASN 20.52 0.098 37 GLU 19.57 0.102 38 ALA 19.46 0.11 39 GLN 15.26 0.1 40 ASP 14.21 0.08 41 TYR 18.52 0.061 42 LEU 15.51 0.027 44 ALA 13.30 0.057 45 TYR 15.99 0.039 46 GLU 13.18 0.03 47 LYS 12.28 0.017 49 ASP 15.29 0.039 50 TYR 22.50 0.169 51 ALA 22.82 0.143 52 VAL 22.64 0.215 53 LEU 22.70 0.31 54 SER 23.46 0.316 55 TRP 26.96 0.43 57 ASP 29.86 0.451 58 TYR 28.39 0.369 59 GLY 32.54 0.423 60 ASN 27.17 0.353 61 TRP 23.37 0.126 62 ILE 25.27 0.208 63 LEU 25.34 0.215 64 TYR 28.71 0.463 65 VAL 35.67 1.068 66 ALA 31.44 0.508 67 LYS 28.08 0.373 68 LYS 23.12 0.215 69 ALA 21.22 0.1 70 VAL 25.21 0.544 76 GLN 25.72 0.198 77 ALA 17.47 0.074 79 ALA 21.91 0.15 80 ASP 24.22 0.132 81 ASP 23.73 0.166 82 ALA 21.82 0.11 83 ALA 22.40 0.214 84 LYS 23.08 0.134 86 PHE 21.27 0.127 88 ALA 21.58 0.053 89 GLN 18.65 0.095 90 SER 17.39 0.026 92 GLU 21.70 0.061 93 GLU 21.72 0.058 94 ALA 20.92 0.064 95 MET 21.85 0.093 96 LYS 23.78 0.075 97 ILE 22.54 0.087 98 VAL 22.96 0.148 99 GLU 23.28 0.086 100 LYS 22.32 0.068 101 ARG 20.82 0.112 102 LYS 24.22 0.111 103 VAL 22.44 0.06 104 ARG 21.51 0.287 105 TYR 19.35 0.13 106 VAL 20.54 0.124 107 VAL 19.71 0.101 108 THR 22.18 0.114 109 VAL 22.17 0.115 110 GLU 20.88 0.21 111 GLU 23.51 0.316 112 LEU 23.89 0.166 113 THR 21.04 0.117 117 GLU 17.38 0.092 118 THR 19.10 0.039 121 THR 26.92 0.393 122 LYS 26.14 0.342 124 ILE 25.55 0.896 126 ILE 21.44 0.153 127 MET 21.89 0.116 128 GLN 21.64 0.095 129 ILE 21.88 0.107 130 ALA 20.51 0.055 131 GLY 21.09 0.075 132 TYR 21.54 0.066 133 SER 13.58 0.032 135 GLU 22.50 0.136 136 TYR 20.69 0.052 137 MET 20.05 0.048 138 LYS 19.96 0.069 140 LYS 20.21 0.509 142 ILE 21.36 0.099 143 ILE 20.63 0.062 144 ASP 22.84 0.075 145 PHE 22.08 0.068 146 PHE 23.04 0.121 147 ASN 23.57 0.082 148 LYS 21.86 0.064 149 THR 21.18 0.083 151 LEU 22.33 0.101 152 TYR 21.94 0.092 153 LYS 22.09 0.123 154 LEU 23.11 0.109 155 HIS 20.61 0.105 156 VAL 20.77 0.092 157 GLU 18.97 0.074 158 ASN 22.62 0.073 159 ALA 20.99 0.094 160 THR 22.59 0.057 161 ASN 21.28 0.068 163 THR 20.12 0.118 164 HIS 21.05 0.125 165 PHE 20.04 0.051 166 ARG 21.02 0.081 167 LEU 19.95 0.081 168 LEU 21.98 0.263 169 LYS 20.04 0.064 171 PHE 17.65 0.072 172 GLY 14.98 0.023 173 THR 20.52 0.136 174 VAL 20.35 0.075 175 LYS 19.60 0.119 176 ILE 21.15 0.073 177 PHE 19.91 0.132 178 GLU 21.26 0.1 179 VAL 19.81 0.084 180 LYS 20.81 0.065 stop_ save_ save_order_parameter_list_1 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $Sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Mol_system_component_name AfAglB-S2 _Tau_e_value_units ps _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 20 GLU N . 0.767 0.041 1042 165 . . . . . . . . . . 21 MET N . 0.783 0.052 1133 214 . . . . . . . . . . 25 TRP N . 0.979 0.031 . . . . . . . . . . . . 26 LYS N . 0.977 0.032 . . . . . . . . . . . . 27 GLU N . 0.977 0.032 . . . . . . . . . . . . 28 ALA N . 0.979 0.031 . . . . . . . . . . . . 29 LEU N . 0.98 0.031 . . . . . . . . . . . . 30 ASN N . 0.98 0.032 . . . . . . . . . . . . 31 TRP N . 0.978 0.032 . . . . . . . . . . . . 32 MET N . 0.976 0.036 . . . . . . . . . . . . 33 LYS N . 0.979 0.032 . . . . . . . . . . . . 34 GLU N . 0.98 0.029 . . . . . . . . . . . . 35 ASN N . 0.979 0.03 . . . . . . . . . . . . 37 GLU N . 0.826 0.046 1486 358 . . . . . . . . . . 38 ALA N . 0.798 0.045 1234 295 . . . . . . . . . . 39 GLN N . 0.745 0.043 1077 158 . . . . . . . . . . 40 ASP N . 0.639 0.04 1256 120 . . . . . . . . . . 41 TYR N . 0.803 0.046 967 250 . . . . . . . . . . 42 LEU N . 0.693 0.047 1277 145 . . . . . . . . . . 44 ALA N . 0.619 0.039 1273 97 . . . . . . . . . . 45 TYR N . 0.712 0.048 1004 149 . . . . . . . . . . 46 GLU N . 0.615 0.046 1182 96 . . . . . . . . . . 47 LYS N . 0.598 0.039 1088 75 . . . . . . . . . . 49 ASP N . 0.716 0.038 1253 150 . . . . . . . . . . 50 TYR N . 0.853 0.045 878 262 . . . . . . . . . . 51 ALA N . 0.98 0.029 . . . . . . . . . . . . 52 VAL N . 0.982 0.027 . . . . . . . . . . . . 53 LEU N . 0.979 0.031 . . . . . . . . . . . . 54 SER N . 0.978 0.034 . . . . . . . . . . . . 55 TRP N . 0.97 0.043 . . . . . . . . . . . . 57 ASP N . 0.967 0.047 . . . . . . . . . . . . 58 TYR N . 0.969 0.043 . . . . . . . . . . . . 60 ASN N . 0.976 0.038 . . . . . . . . . . . . 61 TRP N . 0.975 0.031 . . . . . . . . . . . . 62 ILE N . 0.976 0.032 . . . . . . . . . . . . 63 LEU N . 0.98 0.03 . . . . . . . . . . . . 64 TYR N . 0.97 0.044 . . . . . . . . . . . . 65 VAL N . 0.971 0.043 . . . . . . . . . . . . 66 ALA N . 0.967 0.049 . . . . . . . . . . . . 67 LYS N . 0.97 0.042 . . . . . . . . . . . . 68 LYS N . 0.978 0.034 . . . . . . . . . . . . 69 ALA N . 0.978 0.031 . . . . . . . . . . . . 76 GLN N . 0.823 0.049 1442 336 . . . . . . . . . . 77 ALA N . 0.82 0.038 628 187 . . . . . . . . . . 79 ALA N . 0.976 0.033 . . . . . . . . . . . . 80 ASP N . 0.978 0.032 . . . . . . . . . . . . 81 ASP N . 0.98 0.029 . . . . . . . . . . . . 82 ALA N . 0.979 0.032 . . . . . . . . . . . . 83 ALA N . 0.976 0.033 . . . . . . . . . . . . 84 LYS N . 0.978 0.032 . . . . . . . . . . . . 86 PHE N . 0.977 0.034 . . . . . . . . . . . . 88 ALA N . 0.98 0.031 . . . . . . . . . . . . 89 GLN N . 0.981 0.029 . . . . . . . . . . . . 90 SER N . 0.896 0.033 588 319 . . . . . . . . . . 92 GLU N . 0.979 0.033 . . . . . . . . . . . . 93 GLU N . 0.979 0.03 . . . . . . . . . . . . 94 ALA N . 0.983 0.028 . . . . . . . . . . . . 95 MET N . 0.977 0.031 . . . . . . . . . . . . 96 LYS N . 0.976 0.032 . . . . . . . . . . . . 97 ILE N . 0.981 0.028 . . . . . . . . . . . . 98 VAL N . 0.982 0.027 . . . . . . . . . . . . 99 GLU N . 0.979 0.031 . . . . . . . . . . . . 100 LYS N . 0.979 0.03 . . . . . . . . . . . . 101 ARG N . 0.982 0.029 . . . . . . . . . . . . 102 LYS N . 0.976 0.034 . . . . . . . . . . . . 103 VAL N . 0.981 0.032 . . . . . . . . . . . . 104 ARG N . 0.981 0.029 . . . . . . . . . . . . 105 TYR N . 0.979 0.031 . . . . . . . . . . . . 106 VAL N . 0.981 0.031 . . . . . . . . . . . . 107 VAL N . 0.979 0.029 . . . . . . . . . . . . 108 THR N . 0.981 0.027 . . . . . . . . . . . . 109 VAL N . 0.978 0.031 . . . . . . . . . . . . 110 GLU N . 0.98 0.03 . . . . . . . . . . . . 111 GLU N . 0.978 0.03 . . . . . . . . . . . . 112 LEU N . 0.976 0.032 . . . . . . . . . . . . 113 THR N . 0.979 0.032 . . . . . . . . . . . . 117 GLU N . 0.768 0.042 1050 178 . . . . . . . . . . 118 THR N . 0.801 0.047 988 266 . . . . . . . . . . 121 THR N . 0.822 0.049 793 216 . . . . . . . . . . 122 LYS N . 0.97 0.046 . . . . . . . . . . . . 124 ILE N . 0.972 0.044 . . . . . . . . . . . . 126 ILE N . 0.979 0.031 . . . . . . . . . . . . 127 MET N . 0.979 0.031 . . . . . . . . . . . . 128 GLN N . 0.978 0.033 . . . . . . . . . . . . 129 ILE N . 0.979 0.03 . . . . . . . . . . . . 130 ALA N . 0.977 0.032 . . . . . . . . . . . . 131 GLY N . 0.98 0.029 . . . . . . . . . . . . 132 TYR N . 0.983 0.026 . . . . . . . . . . . . 133 SER N . 0.697 0.043 1622 224 . . . . . . . . . . 135 GLU N . 0.978 0.032 . . . . . . . . . . . . 136 TYR N . 0.907 0.032 709 404 . . . . . . . . . . 137 MET N . 0.953 0.039 . . . . . . . . . . . . 138 LYS N . 0.958 0.038 . . . . . . . . . . . . 140 LYS N . 0.978 0.033 . . . . . . . . . . . . 142 ILE N . 0.98 0.03 . . . . . . . . . . . . 143 ILE N . 0.981 0.03 . . . . . . . . . . . . 144 ASP N . 0.979 0.031 . . . . . . . . . . . . 145 PHE N . 0.974 0.035 . . . . . . . . . . . . 146 PHE N . 0.981 0.03 . . . . . . . . . . . . 147 ASN N . 0.979 0.032 . . . . . . . . . . . . 148 LYS N . 0.981 0.028 . . . . . . . . . . . . 149 THR N . 0.98 0.031 . . . . . . . . . . . . 151 LEU N . 0.98 0.031 . . . . . . . . . . . . 152 TYR N . 0.981 0.029 . . . . . . . . . . . . 153 LYS N . 0.977 0.034 . . . . . . . . . . . . 154 LEU N . 0.98 0.028 . . . . . . . . . . . . 155 HIS N . 0.978 0.03 . . . . . . . . . . . . 156 VAL N . 0.979 0.032 . . . . . . . . . . . . 157 GLU N . 0.982 0.027 . . . . . . . . . . . . 158 ASN N . 0.975 0.035 . . . . . . . . . . . . 159 ALA N . 0.978 0.03 . . . . . . . . . . . . 160 THR N . 0.979 0.03 . . . . . . . . . . . . 161 ASN N . 0.98 0.029 . . . . . . . . . . . . 163 THR N . 0.964 0.038 . . . . . . . . . . . . 164 HIS N . 0.976 0.032 . . . . . . . . . . . . 165 PHE N . 0.978 0.032 . . . . . . . . . . . . 166 ARG N . 0.981 0.028 . . . . . . . . . . . . 167 LEU N . 0.982 0.027 . . . . . . . . . . . . 168 LEU N . 0.978 0.031 . . . . . . . . . . . . 169 LYS N . 0.977 0.033 . . . . . . . . . . . . 171 PHE N . 0.964 0.035 . . . . . . . . . . . . 172 GLY N . 0.76 0.035 585 101 . . . . . . . . . . 173 THR N . 0.978 0.031 . . . . . . . . . . . . 174 VAL N . 0.983 0.027 . . . . . . . . . . . . 175 LYS N . 0.982 0.028 . . . . . . . . . . . . 176 ILE N . 0.982 0.027 . . . . . . . . . . . . 177 PHE N . 0.98 0.028 . . . . . . . . . . . . 178 GLU N . 0.978 0.03 . . . . . . . . . . . . 179 VAL N . 0.98 0.029 . . . . . . . . . . . . 180 LYS N . 0.909 0.038 784 462 . . . . . . . . . . stop_ _Tau_s_value_units . save_