data_5520 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Role of backbone dynamics and structure in controlling the hydrolysis constants of serine proteinase inhibitors ; _BMRB_accession_number 5520 _BMRB_flat_file_name bmr5520.str _Entry_type original _Submission_date 2002-09-11 _Accession_date 2002-09-12 _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 Song Jikui . . 2 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 T1_relaxation 10 T2_relaxation 10 heteronucl_NOE 10 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 51 "15N chemical shifts" 51 "T1 relaxation values" 255 "T2 relaxation values" 255 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-07-30 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5518 'OMTKY3 at pH 6.0 and 298K' 5519 'OMIPF3 at pH 6.0 and 298K' 5521 'Reactive site hydrolyzed OMIPF3 at pH 6.0 and pH 3.9 and 298K' stop_ _Original_release_date 2003-07-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Protein Inhibitors of Serine Proteinases: Role of Backbone Structure and Dynamics in Controlling the Hydrolysis Constant ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22617602 _PubMed_ID 12731859 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Jikui . . 2 Markley John L. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 42 _Journal_issue 18 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5186 _Page_last 5194 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_system_OMTKY3 _Saveframe_category molecular_system _Mol_system_name 'Turkey Ovomucoid Third Domain' _Abbreviation_common OMTKY3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'OMTKY3, chain 1' $OMTKY3_chain_1 'OMTKY3, chain 2' $OMTKY3_chain_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details ; The inhibitor is reactive site hydrolyzed (the protein is composed of two chains since peptide bond between Leu18 and Glu19 is disrupted, the two chains are connected by disulfide bonds). ; save_ ######################## # Monomeric polymers # ######################## save_OMTKY3_chain_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Ovomucoid Third Domain from Turkey' _Abbreviation_common OMTKY3 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 18 _Mol_residue_sequence LAAVSVDCSEYPKPACTL loop_ _Residue_seq_code _Residue_label 1 LEU 2 ALA 3 ALA 4 VAL 5 SER 6 VAL 7 ASP 8 CYS 9 SER 10 GLU 11 TYR 12 PRO 13 LYS 14 PRO 15 ALA 16 CYS 17 THR 18 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 1374 "ovomucoid third domain" 100.00 38 100.00 100.00 1.91e-18 BMRB 1375 "ovomucoid third domain" 100.00 38 100.00 100.00 1.91e-18 BMRB 4068 OMTKY3 100.00 56 100.00 100.00 1.47e-18 BMRB 42 "ovomucoid third domain" 100.00 56 100.00 100.00 1.47e-18 BMRB 4864 OMTKY3 100.00 56 100.00 100.00 1.47e-18 BMRB 507 "ovomucoid third domain" 100.00 56 100.00 100.00 1.47e-18 BMRB 5411 OMTKY3 100.00 51 100.00 100.00 2.51e-18 BMRB 5412 OMTKY3 100.00 51 97.37 97.37 3.17e-17 BMRB 5413 OMTKY3 100.00 51 97.37 100.00 1.19e-17 BMRB 5414 OMTKY3 100.00 51 97.37 97.37 3.64e-17 BMRB 5415 OMTKY3 100.00 51 97.37 97.37 4.67e-17 BMRB 5416 OMTKY3 100.00 51 97.37 97.37 2.17e-17 BMRB 5417 OMTKY3 100.00 51 97.37 97.37 2.53e-17 BMRB 5418 OMTKY3 100.00 51 97.37 97.37 1.71e-17 BMRB 5419 OMTKY3 100.00 51 97.37 97.37 1.91e-17 BMRB 5421 OMTKY3 100.00 51 97.37 100.00 7.31e-18 BMRB 5422 OMTKY3 100.00 51 97.37 97.37 1.52e-17 BMRB 5423 OMTKY3 100.00 51 97.37 100.00 1.04e-17 BMRB 5424 OMTKY3 100.00 51 100.00 100.00 2.62e-18 BMRB 5425 OMTKY3 100.00 51 100.00 100.00 2.49e-18 BMRB 5426 OMTKY3 100.00 51 100.00 100.00 2.83e-18 BMRB 5427 OMTKY3 100.00 51 100.00 100.00 2.03e-18 BMRB 5428 OMTKY3 100.00 51 100.00 100.00 2.65e-18 BMRB 5429 OMTKY3 100.00 51 100.00 100.00 2.51e-18 BMRB 5430 OMTKY3 100.00 51 97.37 100.00 7.47e-18 BMRB 5431 OMTKY3 100.00 51 97.37 100.00 7.89e-18 BMRB 5432 OMTKY3 100.00 51 97.37 100.00 7.39e-18 BMRB 5433 OMTKY3 100.00 51 97.37 100.00 8.32e-18 BMRB 5434 OMTKY3 100.00 51 100.00 100.00 2.62e-18 BMRB 5435 OMTKY3 100.00 51 97.37 100.00 8.06e-18 BMRB 5436 OMTKY3 100.00 51 97.37 100.00 8.78e-18 BMRB 5437 OMTKY3 100.00 51 97.37 100.00 8.78e-18 BMRB 5438 OMTKY3 100.00 51 100.00 100.00 2.80e-18 BMRB 5439 OMTKY3 100.00 51 100.00 100.00 2.92e-18 BMRB 5440 OMTKY3 100.00 51 97.37 100.00 6.71e-18 BMRB 5441 OMTKY3 100.00 51 97.37 100.00 6.71e-18 BMRB 5442 OMTKY3 100.00 51 97.37 100.00 7.47e-18 BMRB 5443 OMTKY3 100.00 51 97.37 100.00 7.16e-18 BMRB 5444 OMTKY3 100.00 51 97.37 100.00 7.39e-18 BMRB 5445 OMTKY3 100.00 51 97.37 100.00 8.41e-18 BMRB 5446 OMTKY3 100.00 56 97.37 97.37 1.22e-17 BMRB 5447 OMTKY3 100.00 56 100.00 100.00 1.41e-18 BMRB 5448 OMTKY3 100.00 51 100.00 100.00 2.51e-18 BMRB 5449 OMTKY3 100.00 51 100.00 100.00 2.49e-18 BMRB 5450 OMTKY3 100.00 51 97.37 100.00 8.78e-18 BMRB 5469 omsvp3 100.00 54 100.00 100.00 1.51e-18 BMRB 5470 ati 100.00 54 97.37 97.37 2.46e-17 BMRB 5472 P5-OMTKY3 100.00 56 100.00 100.00 1.30e-18 BMRB 5473 P5-OMTKY3 100.00 56 100.00 100.00 1.30e-18 BMRB 5518 OMTKY3 100.00 56 100.00 100.00 1.47e-18 BMRB 5519 OMIPF3 100.00 56 97.37 100.00 6.82e-18 BMRB 5521 OMIPF3_chain_2 100.00 38 97.37 100.00 7.86e-18 PDB 1CHO "Crystal And Molecular Structures Of The Complex Of Alpha- Chymotrypsin With Its Inhibitor Turkey Ovomucoid Third Domain At 1.8 " 100.00 56 100.00 100.00 1.47e-18 PDB 1CSO "Crystal Structure Of The Omtky3 P1 Variant Omtky3-Ile18i In Complex With Sgpb" 100.00 51 100.00 100.00 2.18e-18 PDB 1CT0 "Crystal Structure Of The Omtky3 P1 Variant Omtky3-Ser18i In Complex With Sgpb" 100.00 51 100.00 100.00 2.28e-18 PDB 1CT2 "Crystal Structure Of The Omtky3 P1 Variant Omtky3-Thr18i In Complex With Sgpb" 100.00 51 100.00 100.00 2.36e-18 PDB 1CT4 "Crystal Structure Of The Omtky3 P1 Variant Omtky3-Val18i In Complex With Sgpb" 100.00 51 100.00 100.00 2.33e-18 PDB 1DS2 "Crystal Structure Of Sgpb:omtky3-Coo-Leu18i" 100.00 51 100.00 100.00 2.51e-18 PDB 1DS3 "Crystal Structure Of Omtky3-Ch2-Asp19i" 100.00 51 97.37 100.00 8.06e-18 PDB 1HJA "Lys 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Alpha-Chymotrypsin" 100.00 51 100.00 100.00 2.51e-18 PDB 1IY5 "Solution Structure Of Wild Type Omsvp3" 100.00 54 100.00 100.00 1.51e-18 PDB 1IY6 "Solution Structure Of Omsvp3 Variant, P14cN39C" 100.00 54 97.37 97.37 2.46e-17 PDB 1M8B "Solution Structure Of The C State Of Turkey Ovomucoid At Ph 2.5" 100.00 56 100.00 100.00 1.30e-18 PDB 1M8C "Solution Structure Of The T State Of Turkey Ovomucoid At Ph 2.5" 100.00 56 100.00 100.00 1.30e-18 PDB 1OMT "Solution Structure Of Ovomucoid (Third Domain) From Domestic Turkey (298k, Ph 4.1) (Nmr, 50 Structures) (Standard Noesy Analysi" 100.00 56 100.00 100.00 1.47e-18 PDB 1OMU "Solution Structure Of Ovomucoid (Third Domain) From Domestic Turkey (298k, Ph 4.1) (Nmr, 50 Structures) (Refined Model Using Ne" 100.00 56 100.00 100.00 1.47e-18 PDB 1PPF "X-Ray Crystal Structure Of The Complex Of Human Leukocyte Elastase (Pmn Elastase) And The Third Domain Of The Turkey Ovomucoid " 100.00 56 100.00 100.00 1.47e-18 PDB 1R0R "1.1 Angstrom Resolution Structure Of The Complex Between The Protein Inhibitor, Omtky3, And The Serine Protease, Subtilisin Car" 100.00 51 100.00 100.00 2.51e-18 PDB 1SGD "Asp 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5" 100.00 51 100.00 100.00 2.62e-18 PDB 1SGE "Glu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5" 100.00 51 100.00 100.00 2.49e-18 PDB 1SGN "Asn 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" 100.00 51 100.00 100.00 2.83e-18 PDB 1SGP "Ala 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" 100.00 51 100.00 100.00 2.03e-18 PDB 1SGQ "Gly 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" 100.00 51 100.00 100.00 2.83e-18 PDB 1SGR "Leu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" 100.00 51 100.00 100.00 2.51e-18 PDB 1SGY "Tyr 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5" 100.00 51 100.00 100.00 2.83e-18 PDB 1TUR "Solution Structure Of Turkey Ovomucoid Third Domain As Determined From Nuclear Magnetic Resonance Data" 100.00 56 100.00 100.00 1.47e-18 PDB 1TUS "Solution Structure Of Reactive-Site Hydrolyzed Turkey Ovomucoid Third Domain By Nuclear Magnetic Resonance And Distance Geometr" 100.00 56 100.00 100.00 1.47e-18 PDB 1YU6 "Crystal Structure Of The Subtilisin Carlsberg:omtky3 Complex" 100.00 185 100.00 100.00 1.75e-17 PDB 2GKR "Crystal Structure Of The N-Terminally Truncated Omtky3- Del(1-5)" 100.00 51 100.00 100.00 2.51e-18 PDB 2GKT "Crystal Structure Of The P14'-Ala32 Variant Of The N- Terminally Truncated Omtky3-Del(1-5)" 100.00 51 97.37 97.37 9.07e-18 PDB 2GKV "Crystal Structure Of The Sgpb:p14'-Ala32 Omtky3-Del(1-5) Complex" 100.00 51 97.37 97.37 9.07e-18 PDB 2NU0 "Molecular Structures Of The Complexes Of Sgpb With Omtky3 Aromatic P1 Variants Trp18i, His18i, Phe18i, And Tyr18i" 100.00 51 100.00 100.00 2.60e-18 PDB 2NU1 "Molecular Structures Of The Complexes Of Sgpb With Omtky3 Aromatic P1 Variants Trp18i, His18i, Phe18i And Tyr18i" 100.00 51 100.00 100.00 2.65e-18 PDB 2NU2 "Accommodation Of Positively-Charged Residues In A Hydrophobic Specificity Pocket: Crystal Structures Of Sgpb In Complex With Om" 100.00 51 100.00 100.00 2.49e-18 PDB 2NU3 "Accommodation Of Positively-Charged Residues In A Hydrophobic Specificity Pocket: Crystal Structures Of Sgpb In Complex With Om" 100.00 51 100.00 100.00 2.51e-18 PDB 2NU4 "Accommodation Of Positively-Charged Residues In A Hydrophobic Specificity Pocket: Crystal Structures Of Sgpb In Complex With Om" 100.00 51 100.00 100.00 2.51e-18 PDB 2OVO "The Crystal And Molecular Structure Of The Third Domain Of Silver Pheasant Ovomucoid (Omsvp3)" 100.00 56 100.00 100.00 1.30e-18 PDB 2SGD "Asp 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 10.7" 100.00 51 100.00 100.00 2.62e-18 PDB 2SGE "Glu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 10.7" 100.00 51 100.00 100.00 2.49e-18 PDB 2SGF "Phe 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" 100.00 51 100.00 100.00 2.83e-18 PDB 2SGP "Pro 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5" 100.00 51 100.00 100.00 2.51e-18 PDB 2SGQ "Gln 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5" 100.00 51 100.00 100.00 2.23e-18 PDB 3SGB "Structure Of The Complex Of Streptomyces Griseus Protease B And The Third Domain Of The Turkey Ovomucoid Inhibitor At 1.8 Angst" 100.00 56 100.00 100.00 1.47e-18 PDB 3SGQ "Gln 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 10.7" 100.00 51 100.00 100.00 2.23e-18 PDB 4OVO "Refined X-Ray Crystal Structures Of The Reactive Site Modified Ovomucoid Inhibitor Third Domains From Silver Pheasant (Omsvp3(A" 100.00 56 100.00 100.00 1.20e-18 GB AAA48995 "ovomucoid protein, partial [Gallus gallus]" 63.16 24 100.00 100.00 4.90e-07 PIR A31445 "ovomucoid, third domain - ruffed grouse (fragment) [Bonasa umbellus]" 100.00 56 100.00 100.00 1.30e-18 PIR B61588 "ovomucoid (PSTI-type proteinase inhibitor), third domain - white-tailed ptarmigan [Lagopus leucura]" 100.00 56 100.00 100.00 1.30e-18 PIR C31438 "ovomucoid, third domain - cheer pheasant (fragment) [Catreus wallichii]" 100.00 56 100.00 100.00 1.30e-18 PIR D31440 "ovomucoid 1, third domain - gray junglefowl (fragment) [Gallus sonneratii]" 100.00 56 97.37 97.37 2.62e-17 PIR E31437 "ovomucoid, third domain - silver pheasant (fragment) [Lophura nycthemera]" 100.00 56 100.00 100.00 1.30e-18 REF XP_003210408 "PREDICTED: ovomucoid isoform X1 [Meleagris gallopavo]" 100.00 209 100.00 100.00 2.74e-17 REF XP_010717310 "PREDICTED: ovomucoid isoform X2 [Meleagris gallopavo]" 100.00 207 100.00 100.00 2.76e-17 SP P05589 "RecName: Full=Ovomucoid, partial [Callipepla squamata castanogastris]" 100.00 56 97.37 97.37 6.67e-18 SP P05591 "RecName: Full=Ovomucoid, partial [Colinus virginianus]" 100.00 56 97.37 97.37 1.48e-17 SP P05598 "RecName: Full=Ovomucoid, partial [Francolinus pondicerianus]" 100.00 56 97.37 97.37 2.46e-17 SP P05601 "RecName: Full=Ovomucoid, partial [Arborophila torqueola]" 100.00 53 97.37 100.00 3.86e-18 SP P05609 "RecName: Full=Ovomucoid, partial [Pavo cristatus]" 100.00 56 97.37 100.00 6.82e-18 stop_ save_ save_OMTKY3_chain_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Ovomucoid Third Domain from Turkey' _Abbreviation_common OMTKY3 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . _Residue_count 38 _Mol_residue_sequence ; EYRPLCGSDNKTYGNKCNFC NAVVESNGTLTLSHFGKC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 19 GLU 2 20 TYR 3 21 ARG 4 22 PRO 5 23 LEU 6 24 CYS 7 25 GLY 8 26 SER 9 27 ASP 10 28 ASN 11 29 LYS 12 30 THR 13 31 TYR 14 32 GLY 15 33 ASN 16 34 LYS 17 35 CYS 18 36 ASN 19 37 PHE 20 38 CYS 21 39 ASN 22 40 ALA 23 41 VAL 24 42 VAL 25 43 GLU 26 44 SER 27 45 ASN 28 46 GLY 29 47 THR 30 48 LEU 31 49 THR 32 50 LEU 33 51 SER 34 52 HIS 35 53 PHE 36 54 GLY 37 55 LYS 38 56 CYS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 SWISS-PROT P67945 Ovomucoid 100.00 56 100.00 100.00 3.24e-14 SWISS-PROT P67946 Ovomucoid 100.00 56 100.00 100.00 3.24e-14 SWISS-PROT P52261 Ovomucoid 100.00 56 100.00 100.00 3.29e-14 SWISS-PROT P67944 Ovomucoid 100.00 56 100.00 100.00 3.24e-14 PIR E31442 'ovomucoid, third domain - koklass pheasant (fragment)' 100.00 56 100.00 100.00 3.24e-14 SWISS-PROT P52245 Ovomucoid 100.00 56 100.00 100.00 3.58e-14 PIR C31438 'ovomucoid, third domain - cheer pheasant (fragment)' 100.00 56 100.00 100.00 3.24e-14 PIR E31437 'ovomucoid, third domain - silver pheasant (fragment)' 100.00 56 100.00 100.00 3.24e-14 PIR A31445 'ovomucoid, third domain - ruffed grouse (fragment)' 100.00 56 100.00 100.00 3.24e-14 PIR B61588 'ovomucoid (PSTI-type proteinase inhibitor), third domain - white-tailed ptarmigan' 100.00 56 100.00 100.00 3.24e-14 PDB 4OVO 'Refined X-Ray Crystal Structures Of The Reactive Site Modified Ovomucoid Inhibitor Third Domains From Silver Pheasant (Omsvp3(Asterisk)) And From Japanese Quail (Omjpq3(Asterisk))' 100.00 56 100.00 100.00 3.06e-14 GenBank AAA48995 'ovomucoid protein' 63.16 24 100.00 100.00 4.69e-05 PDB 3SGB 'Structure Of The Complex Of Streptomyces Griseus Protease B And The Third Domain Of The Turkey Ovomucoid Inhibitor At 1.8 Angstroms Resolution' 100.00 56 100.00 100.00 3.58e-14 PDB 3SGQ 'Gln 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 10.7' 100.00 51 100.00 100.00 5.34e-14 PDB 2SGP 'Pro 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5' 100.00 51 100.00 100.00 5.86e-14 PDB 2SGQ 'Gln 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5' 100.00 51 100.00 100.00 5.34e-14 PDB 2SGE 'Glu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 10.7' 100.00 51 100.00 100.00 5.81e-14 PDB 2SGF 'Phe 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B' 100.00 51 100.00 100.00 6.42e-14 PDB 2OVO 'The Crystal And Molecular Structure Of The Third Domain Of Silver Pheasant Ovomucoid (Omsvp3)' 100.00 56 100.00 100.00 3.24e-14 PDB 2SGD 'Asp 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 10.7' 100.00 51 100.00 100.00 6.06e-14 PDB 2NU3 'Accommodation Of Positively-Charged Residues In A Hydrophobic Specificity Pocket: Crystal Structures Of Sgpb In Complex With Omtky3 Variants Lys18i And Arg18i' 100.00 51 100.00 100.00 5.86e-14 PDB 2NU4 'Accommodation Of Positively-Charged Residues In A Hydrophobic Specificity Pocket: Crystal Structures Of Sgpb In Complex With Omtky3 Variants Lys18i And Arg18i' 100.00 51 100.00 100.00 5.86e-14 PDB 2NU1 'Molecular Structures Of The Complexes Of Sgpb With Omtky3 Aromatic P1 Variants Trp18i, His18i, Phe18i And Tyr18i' 100.00 51 100.00 100.00 6.11e-14 PDB 2NU2 'Accommodation Of Positively-Charged Residues In A Hydrophobic Specificity Pocket: Crystal Structures Of Sgpb In Complex With Omtky3 Variants Lys18i And Arg18i' 100.00 51 100.00 100.00 5.81e-14 PDB 2GKR 'Crystal Structure Of The N-Terminally Truncated Omtky3- Del(1-5)' 100.00 51 100.00 100.00 5.86e-14 PDB 2NU0 'Molecular Structures Of The Complexes Of Sgpb With Omtky3 Aromatic P1 Variants Trp18i, His18i, Phe18i, And Tyr18i' 100.00 51 100.00 100.00 6.01e-14 PDB 1TUS 'Solution Structure Of Reactive-Site Hydrolyzed Turkey Ovomucoid Third Domain By Nuclear Magnetic Resonance And Distance Geometry Methods' 100.00 56 100.00 100.00 3.58e-14 PDB 1YU6 'Crystal Structure Of The Subtilisin Carlsberg:omtky3 Complex' 100.00 185 100.00 100.00 3.13e-14 PDB 1SGY 'Tyr 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5' 100.00 51 100.00 100.00 6.42e-14 PDB 1TUR 'Solution Structure Of Turkey Ovomucoid Third Domain As Determined From Nuclear Magnetic Resonance Data' 100.00 56 100.00 100.00 3.58e-14 PDB 1SGQ 'Gly 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B' 100.00 51 100.00 100.00 6.42e-14 PDB 1SGR 'Leu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B' 100.00 51 100.00 100.00 5.86e-14 PDB 1SGN 'Asn 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B' 100.00 51 100.00 100.00 6.42e-14 PDB 1SGP 'Ala 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B' 100.00 51 100.00 100.00 4.96e-14 PDB 1SGD 'Asp 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5' 100.00 51 100.00 100.00 6.06e-14 PDB 1SGE 'Glu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5' 100.00 51 100.00 100.00 5.81e-14 PDB 1PPF 'X-Ray Crystal Structure Of The Complex Of Human Leukocyte Elastase (Pmn Elastase) And The Third Domain Of The Turkey Ovomucoid Inhibitor' 100.00 56 100.00 100.00 3.58e-14 PDB 1R0R '1.1 Angstrom Resolution Structure Of The Complex Between The Protein Inhibitor, Omtky3, And The Serine Protease, Subtilisin Carlsberg' 100.00 51 100.00 100.00 5.86e-14 PDB 1OMT 'Solution Structure Of Ovomucoid (Third Domain) From Domestic Turkey (298k, Ph 4.1) (Nmr, 50 Structures) (Standard Noesy Analysis)' 100.00 56 100.00 100.00 3.58e-14 PDB 1OMU 'Solution Structure Of Ovomucoid (Third Domain) From Domestic Turkey (298k, Ph 4.1) (Nmr, 50 Structures) (Refined Model Using Network Editing Analysis)' 100.00 56 100.00 100.00 3.58e-14 PDB 1M8B 'Solution Structure Of The C State Of Turkey Ovomucoid At Ph 2.5' 100.00 56 100.00 100.00 3.24e-14 PDB 1M8C 'Solution Structure Of The T State Of Turkey Ovomucoid At Ph 2.5' 100.00 56 100.00 100.00 3.24e-14 PDB 1HJA 'Lys 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Alpha-Chymotrypsin' 100.00 51 100.00 100.00 5.86e-14 PDB 1IY5 'Solution Structure Of Wild Type Omsvp3' 100.00 54 100.00 100.00 3.76e-14 PDB 1CT4 'Crystal Structure Of The Omtky3 P1 Variant Omtky3-Val18i In Complex With Sgpb' 100.00 51 100.00 100.00 5.53e-14 PDB 1DS2 'Crystal Structure Of Sgpb:omtky3-Coo-Leu18i' 100.00 51 100.00 100.00 5.86e-14 PDB 1CT0 'Crystal Structure Of The Omtky3 P1 Variant Omtky3-Ser18i In Complex With Sgpb' 100.00 51 100.00 100.00 5.43e-14 PDB 1CT2 'Crystal Structure Of The Omtky3 P1 Variant Omtky3-Thr18i In Complex With Sgpb' 100.00 51 100.00 100.00 5.57e-14 PDB 1CHO 'Crystal And Molecular Structures Of The Complex Of Alpha- Chymotrypsin With Its Inhibitor Turkey Ovomucoid Third Domain At 1.8 Angstroms Resolution' 100.00 56 100.00 100.00 3.58e-14 PDB 1CSO 'Crystal Structure Of The Omtky3 P1 Variant Omtky3-Ile18i In Complex With Sgpb' 100.00 51 100.00 100.00 5.26e-14 BMRB 5473 'Ovomucoid Third Domain' 100.00 56 100.00 100.00 3.24e-14 BMRB 5518 'Ovomucoid Third Domain from Turkey' 100.00 56 100.00 100.00 3.58e-14 BMRB 5469 'ovomucoid third domain from silver pheasant' 100.00 54 100.00 100.00 3.76e-14 BMRB 5472 'Ovomucoid Third Domain' 100.00 56 100.00 100.00 3.24e-14 BMRB 5448 'Turkey Ovomucoid Third Domain' 100.00 51 100.00 100.00 5.86e-14 BMRB 5449 'P5-His Turkey Ovomucoid Third Domain' 100.00 51 100.00 100.00 5.81e-14 BMRB 5439 'P4-Asp Turkey Ovomucoid Third Domain' 100.00 51 100.00 100.00 6.58e-14 BMRB 5447 'P8-Phe,P6-Asp Turkey Ovomucoid Third Domain' 100.00 56 100.00 100.00 3.46e-14 BMRB 5434 'P2-Lys Turkey Ovomucoid Third Domain' 100.00 51 100.00 100.00 6.06e-14 BMRB 5438 'P4-Lys Turkey Ovomucoid Third Domain' 100.00 51 100.00 100.00 6.37e-14 BMRB 5428 'P1-His Turkey Ovomucoid Third Domain' 100.00 51 100.00 100.00 6.11e-14 BMRB 5429 'P1-Lys Turkey Ovomucoid Third Domain' 100.00 51 100.00 100.00 5.86e-14 BMRB 5426 'P1-Gly Turkey Ovomucoid Third Domain' 100.00 51 100.00 100.00 6.42e-14 BMRB 5427 'P1-Ala Turkey Ovomucoid Third Domain' 100.00 51 100.00 100.00 4.96e-14 BMRB 5424 'P1-Asp Turkey Ovomucoid Third Domain' 100.00 51 100.00 100.00 6.06e-14 BMRB 5425 'P1-Glu Turkey Ovomucoid Third Domain' 100.00 51 100.00 100.00 5.81e-14 BMRB 507 'ovomucoid third domain' 100.00 56 100.00 100.00 3.58e-14 BMRB 5411 'Turkey Ovomucoid Third Domain' 100.00 51 100.00 100.00 5.86e-14 BMRB 4864 'Ovomucoid Third Domain from Turkey' 100.00 56 100.00 100.00 3.58e-14 BMRB 4865 'Ovomucoid Third Domain from Turkey' 100.00 56 100.00 100.00 3.58e-14 BMRB 4068 'turkey ovomucoid third domain' 100.00 56 100.00 100.00 3.58e-14 BMRB 42 'ovomucoid third domain' 100.00 56 100.00 100.00 3.58e-14 BMRB 1374 'ovomucoid third domain' 100.00 38 100.00 100.00 5.67e-14 BMRB 1375 'ovomucoid third domain' 100.00 38 100.00 100.00 5.67e-14 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $OMTKY3_chain_1 Turkey 9103 Eukaryota Metazoa Meleagris gallopavo $OMTKY3_chain_2 Turkey 9103 Eukaryota Metazoa Meleagris gallopavo 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 $OMTKY3_chain_1 'recombinant technology' . . . . . $OMTKY3_chain_2 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $OMTKY3_chain_1 2 mM '[U-13C; U-15N]' $OMTKY3_chain_2 2 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_T1_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _Sample_label . save_ save_15N_T2_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _Sample_label . save_ save_1H,15N_NOE_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H,15N NOE' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H,15N NOE' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shifts_OMTKY3_chain_1_pH6 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'OMTKY3, chain 1' _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 . 2 ALA H H 8.636 0.05 1 2 . 2 ALA N N 128.187 0.1 1 3 . 3 ALA H H 8.415 0.05 1 4 . 3 ALA N N 125.691 0.1 1 5 . 4 VAL H H 8.152 0.05 1 6 . 4 VAL N N 119.987 0.1 1 7 . 5 SER H H 8.224 0.05 1 8 . 5 SER N N 119.297 0.1 1 9 . 6 VAL H H 8.292 0.05 1 10 . 6 VAL N N 121.474 0.1 1 11 . 7 ASP H H 8.588 0.05 1 12 . 7 ASP N N 126.029 0.1 1 13 . 8 CYS H H 8.923 0.05 1 14 . 8 CYS N N 126.883 0.1 1 15 . 9 SER H H 8.712 0.05 1 16 . 9 SER N N 120.452 0.1 1 17 . 10 GLU H H 8.767 0.05 1 18 . 10 GLU N N 120.89 0.1 1 19 . 11 TYR H H 7.604 0.05 1 20 . 11 TYR N N 120.359 0.1 1 21 . 13 LYS H H 9.047 0.05 1 22 . 13 LYS N N 122.219 0.1 1 23 . 15 ALA H H 7.675 0.05 1 24 . 15 ALA N N 119.539 0.1 1 25 . 16 CYS H H 8.488 0.05 1 26 . 16 CYS N N 118.899 0.1 1 27 . 17 THR H H 8.236 0.05 1 28 . 17 THR N N 117.241 0.1 1 29 . 18 LEU H H 8.051 0.05 1 30 . 18 LEU N N 130.97 0.1 1 stop_ save_ save_chemical_shifts_OMTKY3_chain_2_pH6 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'OMTKY3, chain 2' _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 20 2 TYR H H 9.018 0.05 1 2 20 2 TYR N N 126.735 0.1 1 3 21 3 ARG H H 8.665 0.05 1 4 21 3 ARG N N 130.271 0.1 1 5 23 5 LEU H H 8.667 0.05 1 6 23 5 LEU N N 121.007 0.1 1 7 24 6 CYS H H 8.139 0.05 1 8 24 6 CYS N N 121.997 0.1 1 9 25 7 GLY H H 9.416 0.05 1 10 25 7 GLY N N 117.145 0.1 1 11 26 8 SER H H 9.366 0.05 1 12 26 8 SER N N 119.487 0.1 1 13 27 9 ASP H H 8.356 0.05 1 14 27 9 ASP N N 122.579 0.1 1 15 28 10 ASN H H 8.611 0.05 1 16 28 10 ASN N N 116.741 0.1 1 17 29 11 LYS H H 7.871 0.05 1 18 29 11 LYS N N 120.441 0.1 1 19 30 12 THR H H 8.207 0.05 1 20 30 12 THR N N 121.624 0.1 1 21 31 13 TYR H H 9.774 0.05 1 22 31 13 TYR N N 130.745 0.1 1 23 32 14 GLY H H 9.234 0.05 1 24 32 14 GLY N N 110.594 0.1 1 25 33 15 ASN H H 7.482 0.05 1 26 33 15 ASN N N 109.614 0.1 1 27 34 16 LYS H H 8.863 0.05 1 28 34 16 LYS N N 120.534 0.1 1 29 35 17 CYS H H 8.323 0.05 1 30 35 17 CYS N N 121.652 0.1 1 31 36 18 ASN H H 8.575 0.05 1 32 36 18 ASN N N 119.455 0.1 1 33 37 19 PHE H H 8.136 0.05 1 34 37 19 PHE N N 120.793 0.1 1 35 38 20 CYS H H 9.136 0.05 1 36 38 20 CYS N N 117.925 0.1 1 37 39 21 ASN H H 8.151 0.05 1 38 39 21 ASN N N 120.693 0.1 1 39 40 22 ALA H H 7.235 0.05 1 40 40 22 ALA N N 125.015 0.1 1 41 41 23 VAL H H 8.472 0.05 1 42 41 23 VAL N N 124.848 0.1 1 43 42 24 VAL H H 7.982 0.05 1 44 42 24 VAL N N 121.849 0.1 1 45 43 25 GLU H H 7.805 0.05 1 46 43 25 GLU N N 122.201 0.1 1 47 44 26 SER H H 7.793 0.05 1 48 44 26 SER N N 114.405 0.1 1 49 45 27 ASN H H 8.428 0.05 1 50 45 27 ASN N N 121.85 0.1 1 51 46 28 GLY H H 8.052 0.05 1 52 46 28 GLY N N 104.487 0.1 1 53 47 29 THR H H 7.573 0.05 1 54 47 29 THR N N 112.204 0.1 1 55 48 30 LEU H H 7.708 0.05 1 56 48 30 LEU N N 126.166 0.1 1 57 49 31 THR H H 8.548 0.05 1 58 49 31 THR N N 117.08 0.1 1 59 50 32 LEU H H 8.733 0.05 1 60 50 32 LEU N N 123.172 0.1 1 61 51 33 SER H H 8.925 0.05 1 62 51 33 SER N N 124.592 0.1 1 63 52 34 HIS H H 7.236 0.05 1 64 52 34 HIS N N 109.029 0.1 1 65 53 35 PHE H H 9.095 0.05 1 66 53 35 PHE N N 121.032 0.1 1 67 54 36 GLY H H 8.438 0.05 1 68 54 36 GLY N N 115.839 0.1 1 69 55 37 LYS H H 7.974 0.05 1 70 55 37 LYS N N 114.849 0.1 1 71 56 38 CYS H H 8.214 0.05 1 72 56 38 CYS N N 125.807 0.1 1 stop_ save_ save_T1_relaxation_chain_1_500_pH6 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'OMTKY3, chain 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 ALA N 1.111 0.077 2 3 ALA N 0.806 0.055 3 4 VAL N 0.641 0.044 4 5 SER N 0.5 0.035 5 6 VAL N 0.432 0.030 6 7 ASP N 0.395 0.027 7 8 CYS N 0.395 0.027 8 9 SER N 0.363 0.025 9 10 GLU N 0.374 0.026 10 11 TYR N 0.409 0.028 11 13 LYS N 0.378 0.026 12 15 ALA N 0.431 0.030 13 16 CYS N 0.396 0.027 14 17 THR N 0.480 0.038 15 18 LEU N 0.591 0.051 stop_ save_ save_T1_relaxation_chain_2_500_pH6 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'OMTKY3, chain 2' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 TYR N 0.416 0.035 2 3 ARG N 0.395 0.027 3 5 LEU N 0.366 0.025 4 6 CYS N 0.374 0.026 5 7 GLY N 0.362 0.025 6 8 SER N 0.366 0.025 7 9 ASP N 0.340 0.023 8 10 ASN N 0.363 0.025 9 11 LYS N 0.355 0.024 10 12 THR N 0.375 0.026 11 13 TYR N 0.362 0.025 12 14 GLY N 0.373 0.026 13 15 ASN N 0.378 0.026 14 16 LYS N 0.354 0.024 15 17 CYS N 0.378 0.026 16 18 ASN N 0.362 0.025 17 19 PHE N 0.353 0.024 18 20 CYS N 0.359 0.025 19 21 ASN N 0.358 0.025 20 22 ALA N 0.369 0.025 21 23 VAL N 0.369 0.025 22 24 VAL N 0.371 0.025 23 25 GLU N 0.378 0.026 24 26 SER N 0.392 0.027 25 27 ASN N 0.364 0.025 26 28 GLY N 0.416 0.029 27 29 THR N 0.418 0.029 28 30 LEU N 0.409 0.028 29 31 THR N 0.374 0.026 30 32 LEU N 0.389 0.027 31 33 SER N 0.371 0.025 32 34 HIS N 0.383 0.026 33 35 PHE N 0.363 0.025 34 36 GLY N 0.363 0.025 35 37 LYS N 0.411 0.028 36 38 CYS N 0.378 0.026 stop_ save_ save_T1_relaxation_chain_1_600_pH6 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'OMTKY3, chain 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 ALA N 1.388 0.326 2 3 ALA N 0.961 0.067 3 4 VAL N 0.763 0.053 4 5 SER N 0.591 0.041 5 6 VAL N 0.561 0.039 6 7 ASP N 0.540 0.037 7 8 CYS N 0.485 0.033 8 9 SER N 0.418 0.029 9 10 GLU N 0.452 0.031 10 11 TYR N 0.518 0.036 11 13 LYS N 0.476 0.033 12 15 ALA N 0.520 0.036 13 16 CYS N 0.534 0.037 14 17 THR N 0.617 0.081 15 18 LEU N 0.740 0.068 stop_ save_ save_T1_relaxation_chain_2_600_pH6 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'OMTKY3, chain 2' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 TYR N 0.549 0.159 2 3 ARG N 0.462 0.032 3 5 LEU N 0.467 0.032 4 6 CYS N 0.460 0.032 5 7 GLY N 0.440 0.030 6 8 SER N 0.409 0.028 7 9 ASP N 0.429 0.030 8 10 ASN N 0.421 0.029 9 11 LYS N 0.456 0.031 10 12 THR N 0.480 0.033 11 13 TYR N 0.487 0.034 12 14 GLY N 0.444 0.031 13 15 ASN N 0.467 0.032 14 16 LYS N 0.429 0.030 15 17 CYS N 0.465 0.032 16 18 ASN N 0.411 0.028 17 19 PHE N 0.421 0.029 18 20 CYS N 0.431 0.030 19 21 ASN N 0.411 0.028 20 22 ALA N 0.429 0.030 21 23 VAL N 0.471 0.032 22 24 VAL N 0.456 0.031 23 25 GLU N 0.452 0.031 24 26 SER N 0.462 0.032 25 27 ASN N 0.436 0.030 26 28 GLY N 0.490 0.034 27 29 THR N 0.495 0.034 28 30 LEU N 0.490 0.034 29 31 THR N 0.429 0.030 30 32 LEU N 0.448 0.031 31 33 SER N 0.454 0.031 32 34 HIS N 0.469 0.032 33 35 PHE N 0.438 0.030 34 36 GLY N 0.452 0.031 35 37 LYS N 0.485 0.033 36 38 CYS N 0.429 0.030 stop_ save_ save_T1_relaxation_chain_1_600_pH39 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'OMTKY3, chain 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 ALA N 1.204 0.084 2 3 ALA N 1.041 0.072 3 4 VAL N 0.833 0.058 4 5 SER N 0.625 0.044 5 6 VAL N 0.561 0.039 6 7 ASP N 0.471 0.032 7 8 CYS N 0.505 0.035 8 9 SER N 0.456 0.031 9 10 GLU N 0.456 0.031 10 11 TYR N 0.507 0.035 11 13 LYS N 0.469 0.032 12 15 ALA N 0.518 0.036 13 16 CYS N 0.546 0.038 14 17 THR N 0.606 0.042 15 18 LEU N 0.724 0.050 stop_ save_ save_T1_relaxation_chain_2_600_pH39 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'OMTKY3, chain 2' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 TYR N 0.581 0.040 2 3 ARG N 0.480 0.027 3 5 LEU N 0.440 0.030 4 6 CYS N 0.448 0.031 5 7 GLY N 0.427 0.029 6 8 SER N 0.418 0.029 7 9 ASP N 0.396 0.027 8 10 ASN N 0.416 0.029 9 11 LYS N 0.442 0.030 10 12 THR N 0.465 0.032 11 13 TYR N 0.448 0.031 12 14 GLY N 0.434 0.030 13 15 ASN N 0.421 0.029 14 16 LYS N 0.420 0.029 15 17 CYS N 0.442 0.030 16 18 ASN N 0.406 0.028 17 19 PHE N 0.409 0.028 18 20 CYS N 0.418 0.029 19 21 ASN N 0.406 0.028 20 22 ALA N 0.416 0.029 21 23 VAL N 0.416 0.029 22 24 VAL N 0.421 0.029 23 25 GLU N 0.436 0.030 24 26 SER N 0.458 0.032 25 27 ASN N 0.432 0.030 26 28 GLY N 0.492 0.034 27 29 THR N 0.480 0.033 28 30 LEU N 0.480 0.033 29 31 THR N 0.434 0.030 30 32 LEU N 0.442 0.030 31 33 SER N 0.446 0.031 32 34 HIS N 0.431 0.030 33 35 PHE N 0.446 0.031 34 36 GLY N 0.431 0.030 35 37 LYS N 0.444 0.031 36 38 CYS N 0.423 0.029 stop_ save_ save_T1_relaxation_chain_1_750_pH6 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 750 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'OMTKY3, chain 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 ALA N 0.990 0.264 2 3 ALA N 0.900 0.099 3 4 VAL N 0.862 0.068 4 5 SER N 0.625 0.045 5 6 VAL N 0.595 0.041 6 7 ASP N 0.549 0.068 7 8 CYS N 0.505 0.035 8 9 SER N 0.467 0.042 9 10 GLU N 0.5 0.035 10 11 TYR N 0.555 0.038 11 13 LYS N 0.529 0.036 12 15 ALA N 0.568 0.057 13 16 CYS N 0.450 0.031 14 17 THR N 0.625 0.101 15 18 LEU N 0.757 0.072 stop_ save_ save_T1_relaxation_chain_2_750_pH6 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 750 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'OMTKY3, chain 2' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 TYR N 0.529 0.062 2 3 ARG N 0.531 0.037 3 5 LEU N 0.546 0.038 4 6 CYS N 0.555 0.038 5 7 GLY N 0.487 0.034 6 8 SER N 0.460 0.032 7 9 ASP N 0.478 0.033 8 10 ASN N 0.480 0.033 9 11 LYS N 0.531 0.037 10 12 THR N 0.558 0.039 11 13 TYR N 0.571 0.039 12 14 GLY N 0.483 0.033 13 15 ASN N 0.434 0.030 14 16 LYS N 0.361 0.025 15 17 CYS N 0.478 0.035 16 18 ASN N 0.510 0.035 17 19 PHE N 0.497 0.034 18 20 CYS N 0.473 0.033 19 21 ASN N 0.440 0.030 20 22 ALA N 0.526 0.036 21 23 VAL N 0.518 0.036 22 24 VAL N 0.485 0.033 23 25 GLU N 0.512 0.055 24 26 SER N 0.473 0.033 25 27 ASN N 0.452 0.031 26 28 GLY N 0.529 0.036 27 29 THR N 0.507 0.035 28 30 LEU N 0.543 0.038 29 31 THR N 0.490 0.034 30 32 LEU N 0.505 0.035 31 33 SER N 0.531 0.037 32 34 HIS N 0.476 0.034 33 35 PHE N 0.473 0.033 34 36 GLY N 0.526 0.036 35 37 LYS N 0.546 0.038 36 38 CYS N 0.523 0.036 stop_ save_ save_T1_relaxation_chain_1_750_pH39 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 750 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'OMTKY3, chain 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 ALA N 1.25 0.123 2 3 ALA N 1.098 0.084 3 4 VAL N 0.862 0.060 4 5 SER N 0.699 0.048 5 6 VAL N 0.653 0.045 6 7 ASP N 0.578 0.040 7 8 CYS N 0.625 0.060 8 9 SER N 0.534 0.049 9 10 GLU N 0.549 0.038 10 11 TYR N 0.609 0.042 11 13 LYS N 0.571 0.039 12 15 ALA N 0.625 0.043 13 16 CYS N 0.671 0.051 14 17 THR N 0.680 0.047 15 18 LEU N 0.8 0.057 stop_ save_ save_T1_relaxation_chain_2_750_pH39 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 750 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'OMTKY3, chain 2' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 TYR N 0.675 0.056 2 3 ARG N 0.578 0.030 3 5 LEU N 0.526 0.041 4 6 CYS N 0.568 0.039 5 7 GLY N 0.529 0.046 6 8 SER N 0.515 0.038 7 9 ASP N 0.467 0.032 8 10 ASN N 0.515 0.036 9 11 LYS N 0.526 0.036 10 12 THR N 0.549 0.038 11 13 TYR N 0.568 0.039 12 14 GLY N 0.546 0.038 13 15 ASN N 0.492 0.034 14 16 LYS N 0.515 0.038 15 17 CYS N 0.529 0.036 16 18 ASN N 0.510 0.046 17 19 PHE N 0.518 0.036 18 20 CYS N 0.520 0.043 19 21 ASN N 0.492 0.034 20 22 ALA N 0.510 0.046 21 23 VAL N 0.526 0.045 22 24 VAL N 0.515 0.036 23 25 GLU N 0.518 0.036 24 26 SER N 0.549 0.049 25 27 ASN N 0.523 0.038 26 28 GLY N 0.588 0.050 27 29 THR N 0.578 0.040 28 30 LEU N 0.552 0.058 29 31 THR N 0.505 0.035 30 32 LEU N 0.543 0.038 31 33 SER N 0.529 0.046 32 34 HIS N 0.568 0.039 33 35 PHE N 0.564 0.049 34 36 GLY N 0.531 0.037 35 37 LYS N 0.564 0.039 36 38 CYS N 0.531 0.037 stop_ save_ save_15N_T2_chain_1_500_pH6 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 500 _T2_coherence_type Nx _T2_value_units s _Mol_system_component_name 'OMTKY3, chain 1' _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 2 ALA N 0.398 0.029 . . 2 3 ALA N 0.454 0.032 . . 3 4 VAL N 0.458 0.039 . . 4 5 SER N 0.308 0.022 . . 5 6 VAL N 0.255 0.018 . . 6 7 ASP N 0.182 0.016 . . 7 8 CYS N 0.186 0.013 . . 8 9 SER N 0.178 0.012 . . 9 10 GLU N 0.139 0.009 . . 10 11 TYR N 0.183 0.012 . . 11 13 LYS N 0.207 0.014 . . 12 15 ALA N 0.160 0.016 . . 13 16 CYS N 0.337 0.040 . . 14 17 THR N 0.250 0.024 . . 15 18 LEU N 0.431 0.050 . . stop_ save_ save_15N_T2_chain_2_500_pH6 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 500 _T2_coherence_type Nx _T2_value_units s _Mol_system_component_name 'OMTKY3, chain 2' _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 2 TYR N 0.224 0.032 . . 2 3 ARG N 0.230 0.016 . . 3 5 LEU N 0.187 0.013 . . 4 6 CYS N 0.195 0.013 . . 5 7 GLY N 0.186 0.013 . . 6 8 SER N 0.179 0.012 . . 7 9 ASP N 0.173 0.012 . . 8 10 ASN N 0.191 0.013 . . 9 11 LYS N 0.199 0.013 . . 10 12 THR N 0.206 0.014 . . 11 13 TYR N 0.202 0.014 . . 12 14 GLY N 0.189 0.013 . . 13 15 ASN N 0.193 0.013 . . 14 16 LYS N 0.174 0.012 . . 15 17 CYS N 0.194 0.013 . . 16 18 ASN N 0.185 0.013 . . 17 19 PHE N 0.182 0.012 . . 18 20 CYS N 0.179 0.012 . . 19 21 ASN N 0.199 0.013 . . 20 22 ALA N 0.198 0.013 . . 21 23 VAL N 0.190 0.013 . . 22 24 VAL N 0.179 0.013 . . 23 25 GLU N 0.196 0.013 . . 24 26 SER N 0.203 0.014 . . 25 27 ASN N 0.193 0.013 . . 26 28 GLY N 0.207 0.014 . . 27 29 THR N 0.212 0.014 . . 28 30 LEU N 0.2 0.014 . . 29 31 THR N 0.191 0.013 . . 30 32 LEU N 0.200 0.014 . . 31 33 SER N 0.187 0.013 . . 32 34 HIS N 0.181 0.012 . . 33 35 PHE N 0.189 0.013 . . 34 36 GLY N 0.189 0.013 . . 35 37 LYS N 0.205 0.014 . . 36 38 CYS N 0.180 0.012 . . stop_ save_ save_15N_T2_chain_1_600_pH6 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Nx _T2_value_units s _Mol_system_component_name 'OMTKY3, chain 1' _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 2 ALA N 0.305 0.081 . . 2 3 ALA N 0.434 0.030 . . 3 4 VAL N 0.485 0.038 . . 4 5 SER N 0.294 0.020 . . 5 6 VAL N 0.260 0.018 . . 6 7 ASP N 0.185 0.016 . . 7 8 CYS N 0.178 0.012 . . 8 9 SER N 0.181 0.012 . . 9 10 GLU N 0.133 0.009 . . 10 11 TYR N 0.176 0.012 . . 11 13 LYS N 0.204 0.014 . . 12 15 ALA N 0.137 0.013 . . 13 16 CYS N 0.207 0.014 . . 14 17 THR N 0.235 0.022 . . 15 18 LEU N 0.427 0.048 . . stop_ save_ save_15N_T2_chain_2_600_pH6 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Nx _T2_value_units s _Mol_system_component_name 'OMTKY3, chain 2' _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 2 TYR N 0.207 0.056 . . 2 3 ARG N 0.247 0.017 . . 3 5 LEU N 0.213 0.014 . . 4 6 CYS N 0.205 0.014 . . 5 7 GLY N 0.165 0.011 . . 6 8 SER N 0.199 0.013 . . 7 9 ASP N 0.162 0.011 . . 8 10 ASN N 0.180 0.012 . . 9 11 LYS N 0.209 0.014 . . 10 12 THR N 0.213 0.014 . . 11 13 TYR N 0.194 0.013 . . 12 14 GLY N 0.185 0.013 . . 13 15 ASN N 0.196 0.013 . . 14 16 LYS N 0.175 0.012 . . 15 17 CYS N 0.172 0.012 . . 16 18 ASN N 0.179 0.012 . . 17 19 PHE N 0.189 0.013 . . 18 20 CYS N 0.186 0.013 . . 19 21 ASN N 0.179 0.012 . . 20 22 ALA N 0.169 0.011 . . 21 23 VAL N 0.195 0.013 . . 22 24 VAL N 0.183 0.012 . . 23 25 GLU N 0.158 0.011 . . 24 26 SER N 0.189 0.013 . . 25 27 ASN N 0.177 0.012 . . 26 28 GLY N 0.190 0.013 . . 27 29 THR N 0.218 0.015 . . 28 30 LEU N 0.203 0.014 . . 29 31 THR N 0.200 0.014 . . 30 32 LEU N 0.212 0.014 . . 31 33 SER N 0.178 0.012 . . 32 34 HIS N 0.138 0.009 . . 33 35 PHE N 0.184 0.012 . . 34 36 GLY N 0.176 0.012 . . 35 37 LYS N 0.228 0.015 . . 36 38 CYS N 0.199 0.013 . . stop_ save_ save_15N_T2_chain_1_600_pH39 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Nx _T2_value_units s _Mol_system_component_name 'OMTKY3, chain 1' _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 2 ALA N 0.826 0.057 . . 2 3 ALA N 0.763 0.053 . . 3 4 VAL N 0.571 0.040 . . 4 5 SER N 0.346 0.024 . . 5 6 VAL N 0.259 0.018 . . 6 7 ASP N 0.238 0.016 . . 7 8 CYS N 0.208 0.014 . . 8 9 SER N 0.122 0.008 . . 9 10 GLU N 0.192 0.013 . . 10 11 TYR N 0.188 0.013 . . 11 13 LYS N 0.211 0.014 . . 12 15 ALA N 0.122 0.008 . . 13 16 CYS N 0.248 0.017 . . 14 17 THR N 0.310 0.021 . . 15 18 LEU N 0.497 0.034 . . stop_ save_ save_15N_T2_chain_2_600_pH39 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Nx _T2_value_units s _Mol_system_component_name 'OMTKY3, chain 2' _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 2 TYR N 0.301 0.030 . . 2 3 ARG N 0.245 0.012 . . 3 5 LEU N 0.172 0.012 . . 4 6 CYS N 0.189 0.013 . . 5 7 GLY N 0.208 0.014 . . 6 8 SER N 0.185 0.013 . . 7 9 ASP N 0.174 0.012 . . 8 10 ASN N 0.183 0.012 . . 9 11 LYS N 0.186 0.013 . . 10 12 THR N 0.205 0.014 . . 11 13 TYR N 0.194 0.013 . . 12 14 GLY N 0.209 0.014 . . 13 15 ASN N 0.195 0.013 . . 14 16 LYS N 0.189 0.013 . . 15 17 CYS N 0.219 0.015 . . 16 18 ASN N 0.205 0.014 . . 17 19 PHE N 0.174 0.012 . . 18 20 CYS N 0.207 0.014 . . 19 21 ASN N 0.181 0.012 . . 20 22 ALA N 0.174 0.012 . . 21 23 VAL N 0.193 0.013 . . 22 24 VAL N 0.157 0.011 . . 23 25 GLU N 0.189 0.013 . . 24 26 SER N 0.201 0.014 . . 25 27 ASN N 0.202 0.014 . . 26 28 GLY N 0.217 0.015 . . 27 29 THR N 0.211 0.014 . . 28 30 LEU N 0.199 0.013 . . 29 31 THR N 0.200 0.014 . . 30 32 LEU N 0.202 0.014 . . 31 33 SER N 0.178 0.012 . . 32 34 HIS N 0.207 0.014 . . 33 35 PHE N 0.211 0.014 . . 34 36 GLY N 0.191 0.013 . . 35 37 LYS N 0.235 0.016 . . 36 38 CYS N 0.188 0.013 . . stop_ save_ save_15N_T2_chain_1_750_pH6 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 750 _T2_coherence_type Nx _T2_value_units s _Mol_system_component_name 'OMTKY3, chain 1' _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 2 ALA N 0.185 0.012 . . 2 3 ALA N 0.246 0.017 . . 3 4 VAL N 0.303 0.030 . . 4 5 SER N 0.189 0.013 . . 5 6 VAL N 0.184 0.019 . . 6 7 ASP N 0.114 0.010 . . 7 8 CYS N 0.125 0.008 . . 8 9 SER N 0.123 0.008 . . 9 10 GLU N 0.092 0.006 . . 10 11 TYR N 0.137 0.009 . . 11 13 LYS N 0.169 0.011 . . 12 15 ALA N 0.099 0.011 . . 13 16 CYS N 0.130 0.009 . . 14 17 THR N 0.142 0.014 . . 15 18 LEU N 0.308 0.031 . . stop_ save_ save_15N_T2_chain_2_750_pH6 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 750 _T2_coherence_type Nx _T2_value_units s _Mol_system_component_name 'OMTKY3, chain 2' _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 2 TYR N 0.152 0.017 . . 2 3 ARG N 0.163 0.011 . . 3 5 LEU N 0.162 0.011 . . 4 6 CYS N 0.168 0.011 . . 5 7 GLY N 0.148 0.010 . . 6 8 SER N 0.143 0.010 . . 7 9 ASP N 0.149 0.010 . . 8 10 ASN N 0.164 0.011 . . 9 11 LYS N 0.156 0.010 . . 10 12 THR N 0.164 0.011 . . 11 13 TYR N 0.146 0.010 . . 12 14 GLY N 0.141 0.009 . . 13 15 ASN N 0.158 0.011 . . 14 16 LYS N 0.119 0.008 . . 15 17 CYS N 0.147 0.010 . . 16 18 ASN N 0.150 0.010 . . 17 19 PHE N 0.149 0.010 . . 18 20 CYS N 0.154 0.010 . . 19 21 ASN N 0.153 0.010 . . 20 22 ALA N 0.166 0.011 . . 21 23 VAL N 0.162 0.011 . . 22 24 VAL N 0.144 0.010 . . 23 25 GLU N 0.168 0.011 . . 24 26 SER N 0.160 0.011 . . 25 27 ASN N 0.141 0.009 . . 26 28 GLY N 0.165 0.011 . . 27 29 THR N 0.157 0.011 . . 28 30 LEU N 0.16 0.011 . . 29 31 THR N 0.146 0.010 . . 30 32 LEU N 0.167 0.011 . . 31 33 SER N 0.154 0.010 . . 32 34 HIS N 0.143 0.010 . . 33 35 PHE N 0.129 0.009 . . 34 36 GLY N 0.158 0.011 . . 35 37 LYS N 0.182 0.012 . . 36 38 CYS N 0.151 0.010 . . stop_ save_ save_15N_T2_chain_1_750_pH39 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 750 _T2_coherence_type Nx _T2_value_units s _Mol_system_component_name 'OMTKY3, chain 1' _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 2 ALA N 0.578 0.094 . . 2 3 ALA N 0.729 0.112 . . 3 4 VAL N 0.436 0.030 . . 4 5 SER N 0.300 0.021 . . 5 6 VAL N 0.215 0.015 . . 6 7 ASP N 0.163 0.019 . . 7 8 CYS N 0.150 0.010 . . 8 9 SER N 0.092 0.006 . . 9 10 GLU N 0.161 0.011 . . 10 11 TYR N 0.131 0.009 . . 11 13 LYS N 0.152 0.012 . . 12 15 ALA N 0.076 0.005 . . 13 16 CYS N 0.213 0.014 . . 14 17 THR N 0.248 0.017 . . 15 18 LEU N 0.343 0.024 . . stop_ save_ save_15N_T2_chain_2_750_pH39 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 750 _T2_coherence_type Nx _T2_value_units s _Mol_system_component_name 'OMTKY3, chain 2' _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 2 TYR N 0.200 0.018 . . 2 3 ARG N 0.224 0.011 . . 3 5 LEU N 0.116 0.009 . . 4 6 CYS N 0.147 0.011 . . 5 7 GLY N 0.140 0.009 . . 6 8 SER N 0.135 0.009 . . 7 9 ASP N 0.146 0.010 . . 8 10 ASN N 0.153 0.010 . . 9 11 LYS N 0.146 0.010 . . 10 12 THR N 0.157 0.011 . . 11 13 TYR N 0.154 0.010 . . 12 14 GLY N 0.184 0.012 . . 13 15 ASN N 0.183 0.012 . . 14 16 LYS N 0.172 0.012 . . 15 17 CYS N 0.151 0.015 . . 16 18 ASN N 0.16 0.011 . . 17 19 PHE N 0.145 0.010 . . 18 20 CYS N 0.162 0.011 . . 19 21 ASN N 0.169 0.011 . . 20 22 ALA N 0.174 0.012 . . 21 23 VAL N 0.167 0.011 . . 22 24 VAL N 0.123 0.008 . . 23 25 GLU N 0.152 0.012 . . 24 26 SER N 0.156 0.010 . . 25 27 ASN N 0.151 0.010 . . 26 28 GLY N 0.166 0.011 . . 27 29 THR N 0.139 0.009 . . 28 30 LEU N 0.156 0.010 . . 29 31 THR N 0.141 0.009 . . 30 32 LEU N 0.171 0.011 . . 31 33 SER N 0.152 0.017 . . 32 34 HIS N 0.151 0.010 . . 33 35 PHE N 0.168 0.011 . . 34 36 GLY N 0.159 0.011 . . 35 37 LYS N 0.178 0.012 . . 36 38 CYS N 0.149 0.010 . . stop_ save_ save_heteronuclear_NOE_chain_1_500_pH6 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name ? _Atom_one_atom_name . _Atom_two_atom_name . _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 ALA -3.4 0.10 3 ALA -1.2 0.03 4 VAL -0.4 0.11 5 SER -0.0 0.15 6 VAL 0.33 0.083 7 ASP 0.66 0.066 8 CYS 0.66 0.046 9 SER 0.55 0.039 10 GLU 0.68 0.047 11 TYR 0.64 0.045 13 LYS 0.57 0.039 15 ALA 0.55 0.058 16 CYS 0.55 0.038 17 THR 0.18 0.012 18 LEU -0.0 0.27 stop_ save_ save_heteronuclear_NOE_chain_2_500_pH6 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name ? _Atom_one_atom_name . _Atom_two_atom_name . _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 TYR 0.63 0.044 3 ARG 0.35 0.025 5 LEU 0.57 0.040 6 CYS 0.70 0.049 7 GLY 0.60 0.042 8 SER 0.65 0.046 9 ASP 0.70 0.049 10 ASN 0.58 0.041 11 LYS 0.60 0.042 12 THR 0.60 0.042 13 TYR 0.59 0.041 14 GLY 0.66 0.046 15 ASN 0.51 0.036 16 LYS 0.67 0.047 17 CYS 0.55 0.039 18 ASN 0.69 0.048 19 PHE 0.57 0.040 20 CYS 0.58 0.040 21 ASN 0.64 0.045 22 ALA 0.70 0.049 23 VAL 0.69 0.048 24 VAL 0.63 0.044 25 GLU 0.54 0.038 26 SER 0.57 0.040 27 ASN 0.68 0.047 28 GLY 0.56 0.039 29 THR 0.68 0.047 30 LEU 0.66 0.046 31 THR 0.68 0.047 32 LEU 0.61 0.043 33 SER 0.66 0.046 34 HIS 0.73 0.051 35 PHE 0.62 0.043 36 GLY 0.69 0.048 37 LYS 0.64 0.045 38 CYS 0.57 0.040 stop_ save_ save_heteronuclear_NOE_chain_1_600_pH6 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name ? _Atom_one_atom_name . _Atom_two_atom_name . _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 ALA -2.9 -0.08 3 ALA -1.0 -0.03 4 VAL -0.1 0.15 5 SER 0.25 0.17 6 VAL 0.45 0.081 7 ASP 0.64 0.068 8 CYS 0.66 0.046 9 SER 0.65 0.045 10 GLU 0.69 0.048 11 TYR 0.65 0.045 13 LYS 0.65 0.045 15 ALA 0.53 0.036 16 CYS 0.64 0.044 17 THR 0.38 0.027 18 LEU -0.2 0.15 stop_ save_ save_heteronuclear_NOE_chain_2_600_pH6 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name ? _Atom_one_atom_name . _Atom_two_atom_name . _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 TYR 0.66 0.062 3 ARG 0.48 0.033 5 LEU 0.66 0.046 6 CYS 0.70 0.049 7 GLY 0.73 0.051 8 SER 0.68 0.048 9 ASP 0.69 0.048 10 ASN 0.70 0.049 11 LYS 0.74 0.052 12 THR 0.75 0.052 13 TYR 0.65 0.045 14 GLY 0.71 0.050 15 ASN 0.73 0.051 16 LYS 0.75 0.059 17 CYS 0.64 0.045 18 ASN 0.69 0.057 19 PHE 0.64 0.045 20 CYS 0.75 0.052 21 ASN 0.80 0.056 22 ALA 0.76 0.053 23 VAL 0.67 0.047 24 VAL 0.64 0.044 25 GLU 0.78 0.054 26 SER 0.77 0.054 27 ASN 0.74 0.052 28 GLY 0.64 0.045 29 THR 0.71 0.050 30 LEU 0.69 0.048 31 THR 0.75 0.052 32 LEU 0.68 0.048 33 SER 0.69 0.048 34 HIS 0.75 0.052 35 PHE 0.73 0.051 36 GLY 0.73 0.051 37 LYS 0.68 0.047 38 CYS 0.76 0.053 stop_ save_ save_heteronuclear_NOE_chain_1_600_pH39 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name ? _Atom_one_atom_name . _Atom_two_atom_name . _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 ALA -1.5 0.04 3 ALA -0.7 0.02 4 VAL -0.0 0.05 5 SER 0.17 0.012 6 VAL 0.39 0.027 7 ASP 0.63 0.044 8 CYS 0.67 0.047 9 SER 0.63 0.044 10 GLU 0.66 0.046 11 TYR 0.64 0.044 13 LYS 0.62 0.043 15 ALA 0.53 0.037 16 CYS 0.60 0.042 17 THR 0.38 0.027 18 LEU -0.0 0.37 stop_ save_ save_heteronuclear_NOE_chain_2_600_pH39 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name ? _Atom_one_atom_name . _Atom_two_atom_name . _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 TYR 0.26 0.028 3 ARG 0.44 0.030 5 LEU 0.69 0.048 6 CYS 0.73 0.051 7 GLY 0.73 0.051 8 SER 0.70 0.049 9 ASP 0.67 0.047 10 ASN 0.67 0.047 11 LYS 0.76 0.053 12 THR 0.73 0.051 13 TYR 0.70 0.049 14 GLY 0.70 0.049 15 ASN 0.65 0.046 16 LYS 0.68 0.048 17 CYS 0.60 0.042 18 ASN 0.75 0.053 19 PHE 0.79 0.055 20 CYS 0.72 0.050 21 ASN 0.79 0.055 22 ALA 0.70 0.049 23 VAL 0.72 0.050 24 VAL 0.66 0.046 25 GLU 0.66 0.046 26 SER 0.71 0.050 27 ASN 0.73 0.051 28 GLY 0.62 0.043 29 THR 0.70 0.049 30 LEU 0.68 0.047 31 THR 0.76 0.053 32 LEU 0.67 0.047 33 SER 0.67 0.047 34 HIS 0.80 0.056 35 PHE 0.74 0.052 36 GLY 0.75 0.053 37 LYS 0.61 0.042 38 CYS 0.73 0.051 stop_ save_ save_heteronuclear_NOE_chain_1_750_pH6 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 750 _Mol_system_component_name ? _Atom_one_atom_name . _Atom_two_atom_name . _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 ALA -1.4 0.04 3 ALA -0.6 0.01 4 VAL -0.1 0.15 5 SER 0.42 0.229 6 VAL 0.70 0.249 7 ASP 0.78 0.075 8 CYS 0.73 0.051 9 SER 0.76 0.053 10 GLU 0.79 0.055 11 TYR 0.75 0.052 13 LYS 0.77 0.054 15 ALA 0.68 0.068 16 CYS 0.74 0.051 17 THR 0.54 0.038 18 LEU 0.30 0.081 stop_ save_ save_heteronuclear_NOE_chain_2_750_pH6 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 750 _Mol_system_component_name ? _Atom_one_atom_name . _Atom_two_atom_name . _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 TYR 0.61 0.042 3 ARG 0.64 0.045 5 LEU 0.72 0.050 6 CYS 0.77 0.054 7 GLY 0.80 0.056 8 SER 0.83 0.058 9 ASP 0.78 0.055 10 ASN 0.77 0.054 11 LYS 0.76 0.053 12 THR 0.76 0.053 13 TYR 0.76 0.053 14 GLY 0.74 0.052 15 ASN 0.80 0.056 16 LYS 0.79 0.055 17 CYS 0.80 0.056 18 ASN 0.80 0.056 19 PHE 0.77 0.054 20 CYS 0.81 0.057 21 ASN 0.78 0.054 22 ALA 0.86 0.060 23 VAL 0.79 0.055 24 VAL 0.81 0.057 25 GLU 0.77 0.054 26 SER 0.76 0.053 27 ASN 0.71 0.050 28 GLY 0.67 0.047 29 THR 0.75 0.052 30 LEU 0.77 0.054 31 THR 0.82 0.057 32 LEU 0.76 0.053 33 SER 0.76 0.053 34 HIS 0.79 0.055 35 PHE 0.82 0.057 36 GLY 0.76 0.053 37 LYS 0.84 0.059 38 CYS 0.80 0.056 stop_ save_ save_heteronuclear_NOE_chain_1_750_pH39 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 750 _Mol_system_component_name ? _Atom_one_atom_name . _Atom_two_atom_name . _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 ALA -1.1 0.03 3 ALA -0.5 0.01 4 VAL -0.1 0.05 5 SER 0.46 0.032 6 VAL 0.63 0.044 7 ASP 0.72 0.051 8 CYS 0.73 0.051 9 SER 0.72 0.050 10 GLU 0.79 0.055 11 TYR 0.76 0.053 13 LYS 0.82 0.057 15 ALA 0.73 0.051 16 CYS 0.75 0.053 17 THR 0.54 0.038 18 LEU 0.01 0.043 stop_ save_ save_heteronuclear_NOE_chain_2_750_pH39 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $condition_1 _Spectrometer_frequency_1H 750 _Mol_system_component_name ? _Atom_one_atom_name . _Atom_two_atom_name . _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 TYR 0.51 0.045 3 ARG 0.60 0.042 5 LEU 0.69 0.048 6 CYS 0.80 0.056 7 GLY 0.79 0.055 8 SER 0.80 0.056 9 ASP 0.80 0.056 10 ASN 0.74 0.051 11 LYS 0.78 0.055 12 THR 0.85 0.059 13 TYR 0.81 0.057 14 GLY 0.78 0.054 15 ASN 0.83 0.058 16 LYS 0.70 0.049 17 CYS 0.85 0.060 18 ASN 0.84 0.058 19 PHE 0.83 0.058 20 CYS 0.83 0.058 21 ASN 0.76 0.053 22 ALA 0.80 0.056 23 VAL 0.87 0.061 24 VAL 0.86 0.060 25 GLU 0.85 0.060 26 SER 0.78 0.054 27 ASN 0.76 0.053 28 GLY 0.71 0.050 29 THR 0.71 0.050 30 LEU 0.84 0.059 31 THR 0.81 0.057 32 LEU 0.79 0.055 33 SER 0.74 0.052 34 HIS 0.83 0.058 35 PHE 0.80 0.056 36 GLY 0.79 0.055 37 LYS 0.93 0.065 38 CYS 0.88 0.062 stop_ save_