data_6243 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Relaxation data for Protein Azurin from Pseudomonas aeruginosa ; _BMRB_accession_number 6243 _BMRB_flat_file_name bmr6243.str _Entry_type original _Submission_date 2004-06-11 _Accession_date 2004-06-21 _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 Zhuravleva Anastasia V. . 2 Korzhnev Dmitry M. . 3 Kupce Eriks . . 4 Billeter Martin . . 5 Arseniev Alexander S. . 6 Orekhov Vladislav Yu. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count heteronucl_NOE 6 T1_relaxation 7 T2_relaxation 7 S2_parameters 2 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 806 "T2 relaxation values" 806 "order parameters" 230 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-09-20 original author . stop_ _Original_release_date 2004-09-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Gated electron transfers and electron pathways in azurin: a NMR dynamic study at multiple fields and temperatures ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15364584 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhuravleva Anastasia V. . 2 Korzhnev Dmitry M. . 3 Kupce Eriks . . 4 Arseniev Alexander S. . 5 Billeter Martin . . 6 Orekhov Vladislav Yu. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 342 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1599 _Page_last 1611 _Year 2004 _Details . loop_ _Keyword 'conformational exchange' cupredoxin 'model-free analysis' relaxation stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref-1 _Saveframe_category citation _Citation_full ; Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A. Abstract NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR. 1995 Nov;6(3):277-93. ; _Citation_title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8520220 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Delaglio F. . . 2 Grzesiek S. . . 3 Vuister 'G. W.' W. . 4 Zhu G. . . 5 Pfeifer J. . . 6 Bax A. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 6 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 277 _Page_last 293 _Year 1995 _Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; save_ save_ref-2 _Saveframe_category citation _Citation_full ; Orekhov, V. Y., Nolde, D. E., Golovanov, A. P., Korzhnev, D. M., Arseniev, A. S. Processing of heteronuclear NMR relaxation data with the new software DASHA. Applied Magnetic Resonance 9(4): 581-588. (1995). ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ save_ref-3 _Saveframe_category citation _Citation_full ; Korzhneva DM, Ibraghimov IV, Billeter M, Orekhov VY. Abstract MUNIN: application of three-way decomposition to the analysis of heteronuclear NMR relaxation data. J Biomol NMR. 2001 Nov;21(3):263-8. ; _Citation_title 'MUNIN: application of three-way decomposition to the analysis of heteronuclear NMR relaxation data.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11775742 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Korzhneva 'D. M.' M. . 2 Ibraghimov 'I. V.' V. . 3 Billeter M. . . 4 Orekhov 'V. Y.' Y. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 21 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 263 _Page_last 268 _Year 2001 _Details ; MUNIN (Multidimensional NMR Spectra Interpretation), a recently introduced approach exploiting the mathematical concept of three-way decomposition, is proposed for separation and quantitative relaxation measurements of strongly overlapped resonances in sets of heteronuclear two-dimensional spectra that result from typical relaxation experiments. The approach is general and may also be applied to sets of two-dimensional spectra with arbitrary modulation along the third dimension (e.g., J-coupling, diffusion). Here, the method is applied for the analysis of 15N rotating frame relaxation data. ; save_ ################################## # Molecular system description # ################################## save_system_azurin _Saveframe_category molecular_system _Mol_system_name azurin _Abbreviation_common azurin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label azurin $azurin 'COPPER (I) ION' $CU1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'disulfide bound and other bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_azurin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common azurin _Abbreviation_common azurin _Molecular_mass . _Mol_thiol_state 'disulfide bound and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; AECSVDIQGNDQMQFNTNAI TVDKSCKQFTVNLSHPGNLP KNVMGHNWVLSTAADMQGVV TDGMASGLDKDYLKPDDSRV IAHTKLIGSGEKDSVTFDVS KLKEGEQYMFFCTFPGHSAL MKGTLTLK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLU 3 CYS 4 SER 5 VAL 6 ASP 7 ILE 8 GLN 9 GLY 10 ASN 11 ASP 12 GLN 13 MET 14 GLN 15 PHE 16 ASN 17 THR 18 ASN 19 ALA 20 ILE 21 THR 22 VAL 23 ASP 24 LYS 25 SER 26 CYS 27 LYS 28 GLN 29 PHE 30 THR 31 VAL 32 ASN 33 LEU 34 SER 35 HIS 36 PRO 37 GLY 38 ASN 39 LEU 40 PRO 41 LYS 42 ASN 43 VAL 44 MET 45 GLY 46 HIS 47 ASN 48 TRP 49 VAL 50 LEU 51 SER 52 THR 53 ALA 54 ALA 55 ASP 56 MET 57 GLN 58 GLY 59 VAL 60 VAL 61 THR 62 ASP 63 GLY 64 MET 65 ALA 66 SER 67 GLY 68 LEU 69 ASP 70 LYS 71 ASP 72 TYR 73 LEU 74 LYS 75 PRO 76 ASP 77 ASP 78 SER 79 ARG 80 VAL 81 ILE 82 ALA 83 HIS 84 THR 85 LYS 86 LEU 87 ILE 88 GLY 89 SER 90 GLY 91 GLU 92 LYS 93 ASP 94 SER 95 VAL 96 THR 97 PHE 98 ASP 99 VAL 100 SER 101 LYS 102 LEU 103 LYS 104 GLU 105 GLY 106 GLU 107 GLN 108 TYR 109 MET 110 PHE 111 PHE 112 CYS 113 THR 114 PHE 115 PRO 116 GLY 117 HIS 118 SER 119 ALA 120 LEU 121 MET 122 LYS 123 GLY 124 THR 125 LEU 126 THR 127 LEU 128 LYS 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 1210 azurin 100.00 128 100.00 100.00 2.50e-89 BMRB 1211 azurin 100.00 128 100.00 100.00 2.50e-89 BMRB 1212 azurin 100.00 128 100.00 100.00 2.50e-89 BMRB 1213 azurin 100.00 128 100.00 100.00 2.50e-89 BMRB 1214 azurin 100.00 128 100.00 100.00 2.50e-89 BMRB 1215 azurin 100.00 128 100.00 100.00 2.50e-89 BMRB 1216 azurin 100.00 128 100.00 100.00 2.50e-89 BMRB 1217 azurin 100.00 128 100.00 100.00 2.50e-89 BMRB 1218 azurin 100.00 128 100.00 100.00 2.50e-89 BMRB 1219 azurin 100.00 128 100.00 100.00 2.50e-89 BMRB 18254 apo-azurin 100.00 128 100.00 100.00 2.50e-89 BMRB 4465 polymer_H117G_azurin 100.00 128 99.22 99.22 7.01e-88 PDB 1AG0 "Structure Of Cys 112 Asp Azurin From Pseudomonas Aeruginosa" 100.00 129 99.22 99.22 1.16e-87 PDB 1AZN "Crystal Structure Of The Azurin Mutant Phe114ala From Pseudomonas Aeruginosa At 2.6 Angstroms Resolution" 100.00 128 99.22 99.22 3.52e-88 PDB 1AZR "Crystal Structure Of Pseudomonas Aeruginosa Zinc Azurin Mutant Asp47asp At 2.4 Angstroms Resolution" 100.00 128 98.44 100.00 5.51e-88 PDB 1AZU "Structural Features Of Azurin At 2.7 Angstroms Resolution" 100.00 128 100.00 100.00 2.50e-89 PDB 1BEX "Structure Of Ruthenium-modified Pseudomonas Aeruginosa Azurin" 100.00 128 100.00 100.00 2.50e-89 PDB 1E5Y "Azurin From Pseudomonas Aeruginosa, Reduced Form, Ph 5.5" 100.00 128 100.00 100.00 2.50e-89 PDB 1E5Z "Azurin From Pseudomonas Aeruginosa, Reduced Form, Ph 9.0" 100.00 128 100.00 100.00 2.50e-89 PDB 1E65 "Azurin From Pseudomonas Aeruginosa, Apo Form" 100.00 128 100.00 100.00 2.50e-89 PDB 1E67 "Zn-azurin From Pseudomonas Aeruginosa" 100.00 128 100.00 100.00 2.50e-89 PDB 1ETJ "Azurin Mutant With Met 121 Replaced By Glu" 100.00 128 99.22 99.22 3.72e-88 PDB 1EZL "Crystal Structure Of The Disulphide Bond-Deficient Azurin Mutant C3aC26A: HOW IMPORTANT IS THE S-S Bond For Folding And Stabili" 100.00 128 98.44 98.44 2.84e-87 PDB 1GR7 "Crystal Structure Of The Double Mutant Cys3serSER100PRO From Pseudomonas Aeruginosa At 1.8 A Resolution" 100.00 128 97.66 97.66 5.18e-86 PDB 1I53 "Re(I)-Tricarbonly Diimine (Q107h)) Azurin" 100.00 128 97.66 98.44 7.83e-87 PDB 1ILS "X-Ray Crystal Structure The Two Site-Specific Mutants Ile7ser And Phe110ser Of Azurin From Pseudomonas Aeruginosa" 100.00 128 99.22 99.22 3.23e-88 PDB 1ILU "X-Ray Crystal Structure The Two Site-Specific Mutants Ile7ser And Phe110ser Of Azurin From Pseudomonas Aeruginosa" 100.00 128 99.22 99.22 4.24e-88 PDB 1JVL "Azurin Dimer, Covalently Crosslinked Through Bis- Maleimidomethylether" 100.00 128 99.22 99.22 8.25e-88 PDB 1JVO "Azurin Dimer, Crosslinked Via Disulfide Bridge" 100.00 128 99.22 99.22 8.25e-88 PDB 1JZE "Pseudomonas Aeruginosa Azurin Ru(Bpy)2(Im)(His83)" 100.00 128 100.00 100.00 2.50e-89 PDB 1JZF "Pseudomonas Aeruginosa Oxidized Azurin(Cu2+) Ru(Tpy)(Phen) (His83)" 100.00 128 100.00 100.00 2.50e-89 PDB 1JZG "Pseudomonas Aeruginosa Reduced Azurin (Cu1+) Ru(Tpy)(Phen) (His83)" 100.00 128 100.00 100.00 2.50e-89 PDB 1JZH "Pseudomonas Aeruginosa Azurin Ru(tpy)(bpy)(his83)" 100.00 128 100.00 100.00 2.50e-89 PDB 1JZI "Pseudomonas Aeruginosa Azurin Re(Phen)(Co)3(His83)" 100.00 128 100.00 100.00 2.50e-89 PDB 1JZJ "Pseudomonas Aeruginosa Azurin Os(Bpy)2(Im)(His83)" 100.00 128 100.00 100.00 2.50e-89 PDB 1NZR "Crystal Structure Of The Azurin Mutant Nickel-trp48met From Pseudomonas Aeruginosa At 2.2 Angstroms Resolution" 99.22 128 99.21 99.21 3.89e-87 PDB 1VLX "Structure Of Electron Transfer (cobalt-protein)" 100.00 128 100.00 100.00 2.50e-89 PDB 1XB3 "The D62cK74C DOUBLE MUTANT OF PSEUDOMONAS AERUGINOSA AZURIN" 100.00 128 97.66 97.66 2.52e-85 PDB 1XB6 "The K24r Mutant Of Pseudomonas Aeruginosa Azurin" 100.00 128 99.22 100.00 4.19e-89 PDB 1XB8 "Zn Substituted Form Of D62cK74C DOUBLE MUTANT OF PSEUDOMONAS Aeruginosa Azurin" 100.00 128 98.44 98.44 1.27e-86 PDB 2AZU "X-ray Crystal Structure Of The Two Site-specific Mutants His35*gln And His35*leu Of Azurin From Pseudomonas Aeruginosa" 100.00 128 98.44 99.22 2.16e-87 PDB 2FNW "Pseudomonas Aeruginosa E2qH83QM109H-Azurin Re(Phen)(Co)3" 100.00 128 97.66 98.44 1.57e-86 PDB 2GHZ "Crystal Structure Of Azurin Phe114pro Mutant" 100.00 128 99.22 99.22 1.06e-87 PDB 2GI0 "Crystal Structure Of Cu(I) Phe114pro Azurin Mutant" 100.00 128 99.22 99.22 1.06e-87 PDB 2I7S "Crystal Structure Of Re(Phen)(Co)3 (Thr124his)(His83gln) Azurin Cu(Ii) From Pseudomonas Aeruginosa" 100.00 128 97.66 98.44 1.22e-86 PDB 2IDF "P. Aeruginosa Azurin N42c/m64e Double Mutant, Bmme-linked Dimer" 100.00 128 98.44 98.44 8.00e-87 PDB 2IWE "Structure Of A Cavity Mutant (H117g) Of Pseudomonas Aeruginosa Azurin" 100.00 128 99.22 99.22 7.01e-88 PDB 2OJ1 "Disulfide-Linked Dimer Of Azurin N42cM64E DOUBLE MUTANT" 100.00 128 98.44 98.44 8.00e-87 PDB 2TSA "Azurin Mutant M121a" 100.00 128 99.22 99.22 2.02e-88 PDB 2TSB "Azurin Mutant M121a-Azide" 100.00 128 99.22 99.22 2.02e-88 PDB 3AZU "X-ray Crystal Structure Of The Two Site-specific Mutants His35gln And His35leu Of Azurin From Pseudomonas Aeruginosa" 100.00 128 98.44 99.22 8.53e-88 PDB 3FPY "Azurin C112dM121L" 100.00 128 98.44 99.22 4.07e-87 PDB 3FQ1 "Azurin C112dM121I" 100.00 128 98.44 99.22 4.89e-87 PDB 3FQ2 "Azurin C112dM121F" 100.00 128 98.44 98.44 8.64e-87 PDB 3FQY "Azurin C112d" 100.00 128 99.22 99.22 1.16e-87 PDB 3IBO "Pseudomonas Aeruginosa E2qH83QT126H-Azurin Re(Phen)(Co)3" 100.00 128 97.66 98.44 1.22e-86 PDB 3IN0 "Crystal Structure Of The F114pM121Q VARIANT OF PSEUDOMONAS Aeruginosa Azurin In The Cu(Ii) State" 100.00 128 98.44 98.44 7.74e-87 PDB 3IN2 "Crystal Structure Of The N47sM121L VARIANT OF PSEUDOMONAS Aeruginosa Azurin In The Cu(Ii) State" 100.00 128 98.44 100.00 4.38e-88 PDB 3JT2 "Cu(Ii) N47sM121L VARIANT OF PSEUDOMONAS AERUGINOSA AZURIN" 100.00 128 98.44 100.00 4.38e-88 PDB 3JTB "Cu(Ii) N47sF114N VARIANT OF PSEUDOMONAS AERUGINOSA AZURIN" 100.00 128 98.44 99.22 3.49e-87 PDB 3N2J "Azurin H117g, Oxidized Form" 100.00 128 99.22 99.22 7.01e-88 PDB 3NP3 "C112dM121E PSEUDOMONAS AERUGINOSA AZURIN" 100.00 128 98.44 98.44 1.78e-86 PDB 3NP4 "C112dM121E PSEUDOMONAS AERUGINOSA AZURIN" 100.00 128 98.44 98.44 1.78e-86 PDB 3OQR "C112dM121E AZURIN, PH 10.0" 100.00 128 98.44 98.44 1.78e-86 PDB 3UGE "Silver Metallated Pseudomonas Aeruginosa Azurin At 1.70 A" 100.00 128 100.00 100.00 2.50e-89 PDB 4AZU "Crystal Structure Analysis Of Oxidized Pseudomonas Aeruginosa Azurin At Ph 5.5 And Ph 9.0. A Ph-Induced Conformational Transiti" 100.00 128 100.00 100.00 2.50e-89 PDB 4BWW "Crystal Structure Of Spin Labelled Azurin T21r1" 100.00 131 99.22 99.22 1.62e-88 PDB 4HZ1 "Crystal Structure Of Pseudomonas Aeruginosa Azurin With Iron(Ii) At The Copper-Binding Site." 100.00 128 100.00 100.00 2.50e-89 PDB 4JKN "Mercury Metallated Pseudomonas Aeruginosa Azurin At 1.54 A" 100.00 128 100.00 100.00 2.50e-89 PDB 4KO6 "Investigating The Functional Significance Of The Interlocked Pair Structural Determinants In Pseudomonas Aeruginosa Azurin (v31" 100.00 128 97.66 99.22 1.79e-87 PDB 4KO7 "Investigating The Functional Significance Of The Interlocked Pair Structural Determinants In Pseudomonas Aeruginosa Azurin (v31" 100.00 128 97.66 100.00 7.90e-88 PDB 4KO9 "Investigating The Functional Significance Of The Interlocked Pair Structural Determinants In Pseudomonas Aeruginosa Azurin (v95" 100.00 128 98.44 100.00 2.00e-88 PDB 4KOB "Investigating The Functional Significance Of The Interlocked Pair Structural Determinants In Pseudomonas Aeruginosa Azurin (v31" 100.00 128 98.44 100.00 5.15e-89 PDB 4KOC "Investigating The Functional Significance Of The Interlocked Pair Structural Determinants In Pseudomonas Aeruginosa Azurin (v31" 100.00 128 97.66 100.00 2.83e-88 PDB 4MFH "Crystal Structure Of M121g Azurin" 100.00 128 99.22 99.22 6.15e-88 PDB 4QKT "Azurin Mutant M121em44k With Copper" 100.00 128 98.44 98.44 4.11e-87 PDB 4QLW "Azurin Mutant M121e With Iron" 100.00 128 99.22 99.22 3.72e-88 PDB 5AZU "Crystal Structure Analysis Of Oxidized Pseudomonas Aeruginosa Azurin At Ph 5.5 And Ph 9.0. A Ph-Induced Conformational Transiti" 100.00 128 100.00 100.00 2.50e-89 DBJ BAK87490 "azurin precursor [Pseudomonas aeruginosa NCGM2.S1]" 100.00 148 100.00 100.00 5.45e-90 DBJ BAP24727 "azurin precursor [Pseudomonas aeruginosa]" 100.00 148 100.00 100.00 5.45e-90 DBJ BAP53499 "azurin precursor [Pseudomonas aeruginosa]" 100.00 148 100.00 100.00 5.45e-90 DBJ GAA20615 "azurin precursor [Pseudomonas aeruginosa NCMG1179]" 100.00 148 100.00 100.00 5.45e-90 EMBL CAA30279 "unnamed protein product [Pseudomonas aeruginosa]" 100.00 148 100.00 100.00 5.45e-90 EMBL CAW30062 "azurin precursor [Pseudomonas aeruginosa LESB58]" 100.00 148 100.00 100.00 5.45e-90 EMBL CCQ86145 "azurin precursor [Pseudomonas aeruginosa 18A]" 100.00 148 100.00 100.00 5.45e-90 EMBL CDH73668 "Azurin [Pseudomonas aeruginosa MH38]" 100.00 148 100.00 100.00 5.45e-90 EMBL CDH79986 "Azurin [Pseudomonas aeruginosa MH27]" 100.00 148 100.00 100.00 5.45e-90 GB AAA25730 "azurin [Pseudomonas aeruginosa]" 100.00 148 100.00 100.00 5.45e-90 GB AAG08307 "azurin precursor [Pseudomonas aeruginosa PAO1]" 100.00 148 100.00 100.00 5.45e-90 GB AAP03090 "azurin [Burkholderia cepacia]" 100.00 148 98.44 99.22 1.59e-87 GB AAT49489 "PA4922, partial [synthetic construct]" 100.00 149 99.22 99.22 9.02e-89 GB ABJ14307 "azurin precursor [Pseudomonas aeruginosa UCBPP-PA14]" 100.00 148 99.22 100.00 2.07e-89 PRF 671048A azurin 100.00 128 100.00 100.00 2.50e-89 REF NP_253609 "azurin [Pseudomonas aeruginosa PAO1]" 100.00 148 100.00 100.00 5.45e-90 REF WP_003095591 "MULTISPECIES: azurin [Pseudomonas]" 100.00 148 100.00 100.00 5.45e-90 REF WP_003141697 "azurin [Pseudomonas aeruginosa]" 100.00 148 99.22 100.00 2.07e-89 REF WP_012077620 "azurin [Pseudomonas aeruginosa]" 100.00 148 97.66 99.22 1.03e-88 REF WP_031690945 "azurin [Pseudomonas aeruginosa]" 100.00 148 99.22 100.00 1.17e-89 SP B3EWN9 "RecName: Full=Azurin [Pseudomonas aeruginosa]" 100.00 128 99.22 99.22 4.24e-88 SP P00282 "RecName: Full=Azurin; Flags: Precursor [Pseudomonas aeruginosa PAO1]" 100.00 148 100.00 100.00 5.45e-90 stop_ save_ ############# # Ligands # ############# save_CU1 _Saveframe_category ligand _Mol_type non-polymer _Name_common "CU1 (COPPER (I) ION)" _BMRB_code . _PDB_code CU1 _Molecular_mass 63.546 _Mol_charge 1 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:11:14 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CU CU CU . 1 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $azurin 'Pseudomonas aeruginosa' 287 Eubacteria . Pseudomonas aeruginosa 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 $azurin '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $azurin . mM 1 1 '[U-95% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . _Citation_label $ref-1 save_ save_DASHA _Saveframe_category software _Name DASHA _Version . _Details . _Citation_label $ref-2 save_ save_MUNIN _Saveframe_category software _Name MUNIN _Version . _Details . _Citation_label $ref-3 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-1H_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-1H HSQC' _Sample_label $sample_1 save_ save_15N_T2_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _Sample_label $sample_1 save_ save_1H-15N_NOE_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOE' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.2 n/a temperature 289 0.2 K stop_ save_ save_condition_two _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.2 n/a temperature 317 0.2 K stop_ save_ save_15N_T1_set_500_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name azurin _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 GLU N 0.8126 0.0025 2 3 CYS N 0.7043 0.0079 3 5 VAL N 0.5900 0.0066 4 6 ASP N 0.6260 0.0031 5 7 ILE N 0.6122 0.0093 6 9 GLY N 0.6003 0.0158 7 10 ASN N 0.5957 0.0082 8 11 ASP N 0.6610 0.0079 9 12 GLN N 0.6422 0.0045 10 14 GLN N 0.6182 0.0098 11 15 PHE N 0.5964 0.0081 12 16 ASN N 0.5984 0.0063 13 17 THR N 0.6466 0.0071 14 18 ASN N 0.6387 0.0143 15 21 THR N 0.6352 0.0056 16 22 VAL N 0.6092 0.0067 17 23 ASP N 0.6314 0.0044 18 24 LYS N 0.6603 0.0050 19 25 SER N 0.5861 0.0035 20 26 CYS N 0.5889 0.0037 21 27 LYS N 0.6476 0.0029 22 28 GLN N 0.6332 0.0057 23 29 PHE N 0.6103 0.0069 24 30 THR N 0.6360 0.0241 25 31 VAL N 0.5914 0.0084 26 32 ASN N 0.6020 0.0057 27 33 LEU N 0.5953 0.0065 28 34 SER N 0.5747 0.0059 29 35 HIS N 0.6274 0.0083 30 37 GLY N 0.6215 0.0105 31 39 LEU N 0.6506 0.0060 32 41 LYS N 0.5942 0.0056 33 42 ASN N 0.5842 0.0031 34 43 VAL N 0.5903 0.0036 35 44 MET N 0.5844 0.0162 36 45 GLY N 0.6427 0.0098 37 46 HIS N 0.5958 0.0134 38 47 ASN N 0.6017 0.0158 39 48 TRP N 0.6275 0.0126 40 49 VAL N 0.5815 0.0070 41 50 LEU N 0.5900 0.0089 42 51 SER N 0.5631 0.0064 43 52 THR N 0.5886 0.0108 44 53 ALA N 0.6510 0.0083 45 54 ALA N 0.6700 0.0033 46 55 ASP N 0.6384 0.0059 47 56 MET N 0.6218 0.0042 48 57 GLN N 0.6317 0.0025 49 58 GLY N 0.6308 0.0034 50 59 VAL N 0.6026 0.0045 51 60 VAL N 0.6030 0.0033 52 61 THR N 0.6240 0.0041 53 62 ASP N 0.6288 0.0046 54 63 GLY N 0.5792 0.0162 55 64 MET N 0.5982 0.0032 56 65 ALA N 0.6367 0.0081 57 66 SER N 0.6519 0.0122 58 67 GLY N 0.6204 0.0045 59 68 LEU N 0.6530 0.0046 60 69 ASP N 0.6309 0.0085 61 70 LYS N 0.6278 0.0032 62 71 ASP N 0.6296 0.0047 63 72 TYR N 0.6014 0.0138 64 73 LEU N 0.5946 0.0124 65 74 LYS N 0.5990 0.0169 66 76 ASP N 0.6620 0.0087 67 77 ASP N 0.7272 0.0135 68 78 SER N 0.5932 0.0054 69 79 ARG N 0.6331 0.0047 70 80 VAL N 0.6052 0.0030 71 81 ILE N 0.5802 0.0040 72 82 ALA N 0.5928 0.0026 73 83 HIS N 0.6086 0.0034 74 84 THR N 0.5874 0.0057 75 85 LYS N 0.5917 0.0218 76 86 LEU N 0.5893 0.0117 77 87 ILE N 0.6012 0.0104 78 88 GLY N 0.5854 0.0164 79 89 SER N 0.6424 0.0216 80 90 GLY N 0.6165 0.0073 81 91 GLU N 0.6173 0.0040 82 92 LYS N 0.6172 0.0142 83 93 ASP N 0.6040 0.0105 84 94 SER N 0.6552 0.0064 85 95 VAL N 0.5788 0.0082 86 96 THR N 0.6210 0.0110 87 97 PHE N 0.5773 0.0049 88 98 ASP N 0.6405 0.0102 89 99 VAL N 0.6090 0.0091 90 100 SER N 0.5746 0.0027 91 101 LYS N 0.5773 0.0028 92 102 LEU N 0.6120 0.0034 93 103 LYS N 0.6760 0.0038 94 104 GLU N 0.6713 0.0031 95 105 GLY N 0.6162 0.0022 96 106 GLU N 0.6468 0.0065 97 107 GLN N 0.6048 0.0040 98 108 TYR N 0.6120 0.0116 99 109 MET N 0.5864 0.0064 100 110 PHE N 0.5941 0.0147 101 111 PHE N 0.5690 0.0073 102 112 CYS N 0.5861 0.0199 103 113 THR N 0.5960 0.0052 104 114 PHE N 0.6036 0.0061 105 116 GLY N 0.6462 0.0067 106 117 HIS N 0.5946 0.0090 107 118 SER N 0.6130 0.0071 108 119 ALA N 0.6432 0.0117 109 120 LEU N 0.6457 0.0060 110 122 LYS N 0.5976 0.0036 111 123 GLY N 0.5952 0.0100 112 124 THR N 0.6079 0.0052 113 125 LEU N 0.5968 0.0048 114 126 THR N 0.6049 0.0188 115 127 LEU N 0.6090 0.0115 116 128 LYS N 0.5861 0.0042 stop_ save_ save_15N_T1_set_600_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name azurin _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 GLU N 0.9579 0.0030 2 3 CYS N 0.8717 0.0123 3 5 VAL N 0.7422 0.0036 4 6 ASP N 0.8049 0.0058 5 7 ILE N 0.7611 0.0085 6 9 GLY N 0.7727 0.0150 7 10 ASN N 0.7658 0.0046 8 11 ASP N 0.8007 0.0070 9 12 GLN N 0.8174 0.0072 10 14 GLN N 0.7962 0.0029 11 15 PHE N 0.7726 0.0047 12 16 ASN N 0.7590 0.0090 13 17 THR N 0.8021 0.0037 14 18 ASN N 0.7900 0.0072 15 21 THR N 0.8142 0.0043 16 22 VAL N 0.7624 0.0036 17 23 ASP N 0.8082 0.0040 18 24 LYS N 0.8365 0.0035 19 25 SER N 0.7247 0.0092 20 26 CYS N 0.7455 0.0085 21 27 LYS N 0.8055 0.0080 22 28 GLN N 0.8067 0.0028 23 29 PHE N 0.7753 0.0037 24 30 THR N 0.8068 0.0105 25 31 VAL N 0.7684 0.0083 26 32 ASN N 0.7825 0.0029 27 33 LEU N 0.7565 0.0058 28 34 SER N 0.7276 0.0042 29 35 HIS N 0.7962 0.0096 30 37 GLY N 0.7992 0.0110 31 39 LEU N 0.8244 0.0059 32 41 LYS N 0.7638 0.0060 33 42 ASN N 0.7412 0.0020 34 43 VAL N 0.7451 0.0033 35 44 MET N 0.7414 0.0040 36 45 GLY N 0.8184 0.0108 37 46 HIS N 0.7565 0.0072 38 47 ASN N 0.7719 0.0053 39 48 TRP N 0.7726 0.0062 40 49 VAL N 0.7514 0.0046 41 50 LEU N 0.7348 0.0038 42 51 SER N 0.7103 0.0079 43 52 THR N 0.7513 0.0070 44 53 ALA N 0.8110 0.0058 45 54 ALA N 0.8421 0.0022 46 55 ASP N 0.8203 0.0037 47 56 MET N 0.7939 0.0025 48 57 GLN N 0.8004 0.0023 49 58 GLY N 0.8016 0.0047 50 59 VAL N 0.7582 0.0085 51 60 VAL N 0.7712 0.0026 52 61 THR N 0.8000 0.0034 53 62 ASP N 0.7957 0.0048 54 63 GLY N 0.7397 0.0039 55 64 MET N 0.7652 0.0027 56 65 ALA N 0.8186 0.0030 57 66 SER N 0.8316 0.0031 58 67 GLY N 0.7920 0.0047 59 68 LEU N 0.8249 0.0028 60 69 ASP N 0.7921 0.0046 61 70 LYS N 0.8063 0.0053 62 71 ASP N 0.7905 0.0035 63 72 TYR N 0.7577 0.0081 64 73 LEU N 0.7551 0.0034 65 74 LYS N 0.7611 0.0058 66 76 ASP N 0.8371 0.0034 67 77 ASP N 0.9057 0.0023 68 78 SER N 0.7381 0.0056 69 79 ARG N 0.7916 0.0046 70 80 VAL N 0.7665 0.0058 71 81 ILE N 0.7384 0.0062 72 82 ALA N 0.7632 0.0023 73 83 HIS N 0.7691 0.0094 74 84 THR N 0.7390 0.0043 75 85 LYS N 0.7337 0.0129 76 86 LEU N 0.7401 0.0066 77 87 ILE N 0.7569 0.0088 78 88 GLY N 0.7576 0.0150 79 89 SER N 0.8190 0.0066 80 90 GLY N 0.7852 0.0131 81 91 GLU N 0.7636 0.0066 82 92 LYS N 0.7870 0.0074 83 93 ASP N 0.7641 0.0079 84 94 SER N 0.8362 0.0074 85 95 VAL N 0.7386 0.0069 86 96 THR N 0.7966 0.0084 87 97 PHE N 0.7370 0.0108 88 98 ASP N 0.8252 0.0030 89 99 VAL N 0.7693 0.0039 90 100 SER N 0.7134 0.0046 91 101 LYS N 0.7251 0.0054 92 102 LEU N 0.7673 0.0036 93 103 LYS N 0.8533 0.0054 94 104 GLU N 0.8335 0.0115 95 105 GLY N 0.7631 0.0064 96 106 GLU N 0.7932 0.0042 97 107 GLN N 0.7462 0.0025 98 108 TYR N 0.7461 0.0066 99 109 MET N 0.7579 0.0051 100 110 PHE N 0.7335 0.0036 101 111 PHE N 0.7325 0.0044 102 112 CYS N 0.7490 0.0049 103 113 THR N 0.7574 0.0059 104 114 PHE N 0.7704 0.0117 105 116 GLY N 0.8264 0.0047 106 117 HIS N 0.7249 0.0114 107 118 SER N 0.7658 0.0198 108 119 ALA N 0.8057 0.0046 109 120 LEU N 0.8189 0.0049 110 122 LYS N 0.7675 0.0035 111 123 GLY N 0.7466 0.0038 112 124 THR N 0.7673 0.0024 113 125 LEU N 0.7580 0.0054 114 126 THR N 0.7588 0.0081 115 127 LEU N 0.7530 0.0042 116 128 LYS N 0.7188 0.0026 stop_ save_ save_15N_T1_set_800_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 800 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name azurin _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 GLU N 1.1940 0.0049 2 3 CYS N 1.1995 0.0148 3 5 VAL N 1.0670 0.0048 4 6 ASP N 1.1780 0.0052 5 7 ILE N 1.1080 0.0056 6 9 GLY N 1.1420 0.0085 7 10 ASN N 1.1290 0.0057 8 11 ASP N 1.1825 0.0100 9 12 GLN N 1.1825 0.0051 10 14 GLN N 1.1760 0.0063 11 15 PHE N 1.1380 0.0071 12 16 ASN N 1.1010 0.0056 13 17 THR N 1.1210 0.0055 14 18 ASN N 1.1470 0.0048 15 21 THR N 1.1755 0.0073 16 22 VAL N 1.1350 0.0067 17 23 ASP N 1.1610 0.0044 18 24 LYS N 1.2135 0.0063 19 25 SER N 1.0325 0.0062 20 26 CYS N 1.0385 0.0038 21 27 LYS N 1.1525 0.0064 22 28 GLN N 1.1715 0.0051 23 29 PHE N 1.1410 0.0062 24 30 THR N 1.2140 0.0184 25 31 VAL N 1.1340 0.0058 26 32 ASN N 1.1455 0.0057 27 33 LEU N 1.1145 0.0054 28 34 SER N 1.0530 0.0099 29 35 HIS N 1.1650 0.0081 30 37 GLY N 1.1540 0.0141 31 39 LEU N 1.1860 0.0141 32 41 LYS N 1.0950 0.0062 33 42 ASN N 1.0440 0.0043 34 43 VAL N 1.0790 0.0052 35 44 MET N 1.0790 0.0054 36 45 GLY N 1.1685 0.0047 37 46 HIS N 1.1185 0.0092 38 47 ASN N 1.1320 0.0099 39 48 TRP N 1.1590 0.0099 40 49 VAL N 1.1080 0.0073 41 50 LEU N 1.0840 0.0056 42 51 SER N 1.0260 0.0056 43 52 THR N 1.0545 0.0205 44 53 ALA N 1.1675 0.0100 45 54 ALA N 1.2155 0.0053 46 55 ASP N 1.2030 0.0061 47 56 MET N 1.1550 0.0057 48 57 GLN N 1.1560 0.0047 49 58 GLY N 1.1475 0.0055 50 59 VAL N 1.0935 0.0060 51 60 VAL N 1.1180 0.0059 52 61 THR N 1.1680 0.0060 53 62 ASP N 1.1440 0.0061 54 63 GLY N 1.0605 0.0078 55 64 MET N 1.1095 0.0058 56 65 ALA N 1.1835 0.0051 57 66 SER N 1.1865 0.0048 58 67 GLY N 1.1505 0.0048 59 68 LEU N 1.1845 0.0058 60 69 ASP N 1.1225 0.0050 61 70 LYS N 1.1890 0.0056 62 71 ASP N 1.1590 0.0057 63 72 TYR N 1.1025 0.0059 64 73 LEU N 1.1070 0.0056 65 74 LYS N 1.1075 0.0084 66 76 ASP N 1.2130 0.0060 67 77 ASP N 1.2625 0.0072 68 78 SER N 1.0645 0.0048 69 79 ARG N 1.1265 0.0062 70 80 VAL N 1.1350 0.0043 71 81 ILE N 1.0785 0.0057 72 82 ALA N 1.1095 0.0076 73 83 HIS N 1.1335 0.0040 74 84 THR N 1.0795 0.0078 75 85 LYS N 1.0840 0.0091 76 86 LEU N 1.0780 0.0085 77 87 ILE N 1.0730 0.0081 78 88 GLY N 1.0980 0.0152 79 89 SER N 1.1845 0.0078 80 90 GLY N 1.1375 0.0092 81 91 GLU N 1.0890 0.0060 82 92 LYS N 1.1380 0.0059 83 93 ASP N 1.1195 0.0092 84 94 SER N 1.2090 0.0060 85 95 VAL N 1.0550 0.0050 86 96 THR N 1.1835 0.0063 87 97 PHE N 1.0670 0.0141 88 98 ASP N 1.1975 0.0031 89 99 VAL N 1.1060 0.0057 90 100 SER N 0.9956 0.0090 91 101 LYS N 1.0275 0.0042 92 102 LEU N 1.1020 0.0062 93 103 LYS N 1.2500 0.0066 94 104 GLU N 1.1575 0.0059 95 105 GLY N 1.0585 0.0045 96 106 GLU N 1.0820 0.0051 97 107 GLN N 1.0320 0.0051 98 108 TYR N 1.0550 0.0063 99 109 MET N 1.1210 0.0141 100 110 PHE N 1.0610 0.0066 101 111 PHE N 1.0630 0.0052 102 112 CYS N 1.0925 0.0106 103 113 THR N 1.1085 0.0205 104 114 PHE N 1.1185 0.0106 105 116 GLY N 1.2190 0.0061 106 117 HIS N 1.0335 0.0058 107 118 SER N 1.1115 0.0233 108 119 ALA N 1.1205 0.0062 109 120 LEU N 1.1945 0.0089 110 122 LYS N 1.1315 0.0049 111 123 GLY N 1.0875 0.0068 112 124 THR N 1.0990 0.0046 113 125 LEU N 1.1000 0.0050 114 126 THR N 1.0945 0.0106 115 127 LEU N 1.0640 0.0113 116 128 LYS N 0.9900 0.0048 stop_ save_ save_15N_T1_set_900_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 900 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name azurin _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 GLU N 1.2285 0.0064 2 3 CYS N 1.3915 0.0276 3 5 VAL N 1.1690 0.0024 4 6 ASP N 1.2975 0.0027 5 7 ILE N 1.2110 0.0099 6 9 GLY N 1.2740 0.0059 7 10 ASN N 1.2625 0.0106 8 11 ASP N 1.3025 0.0177 9 12 GLN N 1.3160 0.0113 10 14 GLN N 1.3170 0.0032 11 15 PHE N 1.2675 0.0047 12 16 ASN N 1.2405 0.0050 13 17 THR N 1.2235 0.0035 14 18 ASN N 1.2560 0.0085 15 21 THR N 1.3035 0.0056 16 22 VAL N 1.2515 0.0038 17 23 ASP N 1.2810 0.0032 18 24 LYS N 1.3435 0.0064 19 25 SER N 1.1180 0.0036 20 26 CYS N 1.1445 0.0025 21 27 LYS N 1.2790 0.0099 22 28 GLN N 1.2945 0.0035 23 29 PHE N 1.2780 0.0141 24 30 THR N 1.3380 0.0088 25 31 VAL N 1.2720 0.0059 26 32 ASN N 1.2730 0.0041 27 33 LEU N 1.2275 0.0050 28 34 SER N 1.1375 0.0148 29 35 HIS N 1.3045 0.0120 30 37 GLY N 1.2740 0.0085 31 39 LEU N 1.2850 0.0056 32 41 LYS N 1.2110 0.0027 33 42 ASN N 1.1355 0.0029 34 43 VAL N 1.1610 0.0042 35 44 MET N 1.1990 0.0042 36 45 GLY N 1.2965 0.0048 37 46 HIS N 1.2430 0.0085 38 47 ASN N 1.2345 0.0106 39 48 TRP N 1.2930 0.0129 40 49 VAL N 1.2420 0.0056 41 50 LEU N 1.1840 0.0071 42 51 SER N 1.1330 0.0141 43 52 THR N 1.1550 0.0127 44 53 ALA N 1.2945 0.0060 45 54 ALA N 1.3245 0.0050 46 55 ASP N 1.3415 0.0106 47 56 MET N 1.2660 0.0032 48 57 GLN N 1.2685 0.0035 49 58 GLY N 1.2555 0.0106 50 59 VAL N 1.2125 0.0037 51 60 VAL N 1.2575 0.0051 52 61 THR N 1.2810 0.0057 53 62 ASP N 1.2480 0.0055 54 63 GLY N 1.1595 0.0064 55 64 MET N 1.2225 0.0024 56 65 ALA N 1.2875 0.0078 57 66 SER N 1.3025 0.0050 58 67 GLY N 1.2645 0.0092 59 68 LEU N 1.2990 0.0042 60 69 ASP N 1.2200 0.0042 61 70 LYS N 1.3055 0.0063 62 71 ASP N 1.2820 0.0071 63 72 TYR N 1.2375 0.0092 64 73 LEU N 1.2335 0.0049 65 74 LYS N 1.2345 0.0064 66 76 ASP N 1.3370 0.0028 67 77 ASP N 1.3735 0.0120 68 78 SER N 1.1445 0.0035 69 79 ARG N 1.2620 0.0043 70 80 VAL N 1.2455 0.0120 71 81 ILE N 1.1925 0.0119 72 82 ALA N 1.2200 0.0028 73 83 HIS N 1.2530 0.0071 74 84 THR N 1.1860 0.0037 75 85 LYS N 1.1670 0.0057 76 86 LEU N 1.1895 0.0078 77 87 ILE N 1.1820 0.0059 78 88 GLY N 1.2565 0.0290 79 89 SER N 1.3050 0.0382 80 90 GLY N 1.2660 0.0077 81 91 GLU N 1.2020 0.0085 82 92 LYS N 1.2605 0.0050 83 93 ASP N 1.2655 0.0134 84 94 SER N 1.3325 0.0048 85 95 VAL N 1.1635 0.0028 86 96 THR N 1.3130 0.0131 87 97 PHE N 1.1640 0.0071 88 98 ASP N 1.3185 0.0033 89 99 VAL N 1.2160 0.0036 90 100 SER N 1.0940 0.0042 91 101 LYS N 1.1130 0.0057 92 102 LEU N 1.1975 0.0030 93 103 LYS N 1.3815 0.0078 94 104 GLU N 1.2670 0.0031 95 105 GLY N 1.1475 0.0035 96 106 GLU N 1.1775 0.0035 97 107 GLN N 1.1190 0.0043 98 108 TYR N 1.1530 0.0071 99 109 MET N 1.2295 0.0083 100 110 PHE N 1.1530 0.0056 101 111 PHE N 1.1615 0.0035 102 112 CYS N 1.2100 0.0056 103 113 THR N 1.2220 0.0052 104 114 PHE N 1.1965 0.0120 105 116 GLY N 1.3440 0.0113 106 117 HIS N 1.1245 0.0055 107 118 SER N 1.2320 0.0062 108 119 ALA N 1.2060 0.0022 109 120 LEU N 1.3045 0.0064 110 122 LYS N 1.2677 0.0127 111 123 GLY N 1.1880 0.0043 112 124 THR N 1.2225 0.0064 113 125 LEU N 1.2025 0.0035 114 126 THR N 1.2165 0.0064 115 127 LEU N 1.1835 0.0078 116 128 LYS N 1.0730 0.0015 stop_ save_ save_15N_T1_set_500_2 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_two _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name azurin _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 GLU N 0.7449 0.0198 2 4 SER N 0.4041 0.0018 3 5 VAL N 0.4027 0.0024 4 6 ASP N 0.4258 0.0016 5 8 GLN N 0.4071 0.0020 6 9 GLY N 0.4056 0.0030 7 10 ASN N 0.4076 0.0013 8 11 ASP N 0.4228 0.0014 9 12 GLN N 0.4259 0.0016 10 13 MET N 0.4050 0.0012 11 14 GLN N 0.4174 0.0020 12 15 PHE N 0.4168 0.0020 13 16 ASN N 0.4144 0.0039 14 17 THR N 0.4518 0.0025 15 18 ASN N 0.4338 0.0026 16 19 ALA N 0.4097 0.0034 17 20 ILE N 0.4245 0.0016 18 21 THR N 0.4254 0.0049 19 22 VAL N 0.4214 0.0013 20 23 ASP N 0.4236 0.0010 21 24 LYS N 0.4446 0.0059 22 25 SER N 0.4114 0.0019 23 26 CYS N 0.4105 0.0031 24 27 LYS N 0.4410 0.0028 25 28 GLN N 0.4298 0.0012 26 29 PHE N 0.4120 0.0019 27 30 THR N 0.4156 0.0026 28 31 VAL N 0.4061 0.0017 29 32 ASN N 0.4034 0.0012 30 33 LEU N 0.4050 0.0012 31 34 SER N 0.3890 0.0011 32 35 HIS N 0.4340 0.0027 33 37 GLY N 0.4322 0.0041 34 39 LEU N 0.4525 0.0047 35 41 LYS N 0.4133 0.0012 36 42 ASN N 0.4024 0.0009 37 43 VAL N 0.4080 0.0016 38 44 MET N 0.4076 0.0015 39 45 GLY N 0.4420 0.0051 40 46 HIS N 0.4040 0.0032 41 47 ASN N 0.4084 0.0029 42 48 TRP N 0.4087 0.0022 43 49 VAL N 0.3951 0.0029 44 50 LEU N 0.3948 0.0015 45 51 SER N 0.3830 0.0015 46 52 THR N 0.3996 0.0019 47 53 ALA N 0.4114 0.0030 48 54 ALA N 0.4332 0.0008 49 55 ASP N 0.4240 0.0021 50 56 MET N 0.4049 0.0009 51 57 GLN N 0.4142 0.0008 52 58 GLY N 0.4115 0.0009 53 61 THR N 0.4064 0.0014 54 62 ASP N 0.4026 0.0014 55 63 GLY N 0.3878 0.0027 56 64 MET N 0.4006 0.0010 57 65 ALA N 0.4214 0.0019 58 66 SER N 0.4383 0.0012 59 67 GLY N 0.4376 0.0014 60 69 ASP N 0.4193 0.0025 61 70 LYS N 0.4254 0.0014 62 71 ASP N 0.4056 0.0014 63 72 TYR N 0.3919 0.0012 64 73 LEU N 0.3951 0.0031 65 74 LYS N 0.4072 0.0039 66 76 ASP N 0.4485 0.0027 67 77 ASP N 0.4959 0.0014 68 78 SER N 0.4158 0.0010 69 79 ARG N 0.4106 0.0019 70 80 VAL N 0.4062 0.0019 71 81 ILE N 0.3966 0.0026 72 82 ALA N 0.4094 0.0028 73 83 HIS N 0.4108 0.0028 74 84 THR N 0.3958 0.0015 75 85 LYS N 0.3945 0.0018 76 86 LEU N 0.4018 0.0029 77 87 ILE N 0.3936 0.0058 78 88 GLY N 0.4070 0.0031 79 89 SER N 0.4354 0.0018 80 90 GLY N 0.4222 0.0019 81 91 GLU N 0.4210 0.0018 82 92 LYS N 0.4194 0.0012 83 93 ASP N 0.4082 0.0009 84 94 SER N 0.4498 0.0012 85 95 VAL N 0.3955 0.0026 86 96 THR N 0.4206 0.0021 87 97 PHE N 0.3980 0.0011 88 98 ASP N 0.4310 0.0008 89 99 VAL N 0.4082 0.0014 90 100 SER N 0.4012 0.0016 91 101 LYS N 0.4060 0.0028 92 102 LEU N 0.4202 0.0015 93 104 GLU N 0.4644 0.0030 94 105 GLY N 0.4623 0.0021 95 106 GLU N 0.4774 0.0032 96 108 TYR N 0.4337 0.0059 97 109 MET N 0.4072 0.0014 98 110 PHE N 0.3909 0.0038 99 111 PHE N 0.3890 0.0012 100 112 CYS N 0.4006 0.0026 101 113 THR N 0.4055 0.0021 102 114 PHE N 0.3993 0.0017 103 116 GLY N 0.4276 0.0059 104 117 HIS N 0.3903 0.0021 105 118 SER N 0.4002 0.0038 106 119 ALA N 0.4252 0.0009 107 120 LEU N 0.4307 0.0014 108 121 MET N 0.4347 0.0120 109 122 LYS N 0.4154 0.0010 110 123 GLY N 0.4036 0.0015 111 124 THR N 0.4122 0.0014 112 125 LEU N 0.4023 0.0021 113 127 LEU N 0.4281 0.0018 114 128 LYS N 0.4300 0.0029 stop_ save_ save_15N_T1_set_600_2 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_two _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name azurin _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 GLU N 0.8359 0.0126 2 4 SER N 0.4694 0.0010 3 5 VAL N 0.4725 0.0024 4 6 ASP N 0.5002 0.0017 5 8 GLN N 0.4849 0.0014 6 9 GLY N 0.4823 0.0014 7 10 ASN N 0.4846 0.0016 8 11 ASP N 0.5000 0.0021 9 12 GLN N 0.5059 0.0027 10 13 MET N 0.4758 0.0011 11 14 GLN N 0.4963 0.0038 12 15 PHE N 0.4895 0.0019 13 16 ASN N 0.4826 0.0019 14 17 THR N 0.5299 0.0035 15 18 ASN N 0.5066 0.0053 16 19 ALA N 0.4814 0.0036 17 20 ILE N 0.5080 0.0036 18 21 THR N 0.5054 0.0028 19 22 VAL N 0.4982 0.0016 20 23 ASP N 0.5003 0.0026 21 24 LYS N 0.5295 0.0020 22 25 SER N 0.4789 0.0022 23 26 CYS N 0.4752 0.0010 24 27 LYS N 0.5092 0.0017 25 28 GLN N 0.5087 0.0017 26 29 PHE N 0.4900 0.0035 27 30 THR N 0.4948 0.0034 28 31 VAL N 0.4788 0.0010 29 32 ASN N 0.4774 0.0009 30 33 LEU N 0.4799 0.0013 31 34 SER N 0.4558 0.0014 32 35 HIS N 0.5092 0.0065 33 37 GLY N 0.5038 0.0043 34 39 LEU N 0.5269 0.0027 35 41 LYS N 0.4842 0.0023 36 42 ASN N 0.4684 0.0010 37 43 VAL N 0.4728 0.0013 38 44 MET N 0.4788 0.0011 39 45 GLY N 0.5192 0.0019 40 46 HIS N 0.4748 0.0015 41 47 ASN N 0.4824 0.0034 42 48 TRP N 0.4900 0.0039 43 49 VAL N 0.4688 0.0058 44 50 LEU N 0.4646 0.0038 45 51 SER N 0.4503 0.0012 46 52 THR N 0.4666 0.0025 47 53 ALA N 0.4889 0.0014 48 54 ALA N 0.5141 0.0020 49 55 ASP N 0.5036 0.0013 50 56 MET N 0.4837 0.0007 51 57 GLN N 0.4878 0.0009 52 58 GLY N 0.4872 0.0014 53 61 THR N 0.4850 0.0009 54 62 ASP N 0.4798 0.0019 55 63 GLY N 0.4516 0.0043 56 64 MET N 0.4708 0.0008 57 65 ALA N 0.5029 0.0010 58 66 SER N 0.5190 0.0012 59 67 GLY N 0.5158 0.0022 60 69 ASP N 0.4886 0.0008 61 70 LYS N 0.5046 0.0013 62 71 ASP N 0.4810 0.0006 63 72 TYR N 0.4618 0.0009 64 73 LEU N 0.4662 0.0019 65 74 LYS N 0.4809 0.0014 66 76 ASP N 0.5296 0.0028 67 77 ASP N 0.5806 0.0011 68 78 SER N 0.4826 0.0023 69 79 ARG N 0.4849 0.0013 70 80 VAL N 0.4804 0.0012 71 81 ILE N 0.4682 0.0018 72 82 ALA N 0.4821 0.0008 73 83 HIS N 0.4858 0.0011 74 84 THR N 0.4662 0.0013 75 85 LYS N 0.4662 0.0028 76 86 LEU N 0.4718 0.0030 77 87 ILE N 0.4646 0.0017 78 88 GLY N 0.4804 0.0036 79 89 SER N 0.5087 0.0064 80 90 GLY N 0.4928 0.0025 81 91 GLU N 0.4930 0.0026 82 92 LYS N 0.4952 0.0010 83 93 ASP N 0.4796 0.0011 84 94 SER N 0.5320 0.0022 85 95 VAL N 0.4658 0.0026 86 96 THR N 0.4930 0.0015 87 97 PHE N 0.4624 0.0009 88 98 ASP N 0.5124 0.0022 89 99 VAL N 0.4800 0.0010 90 100 SER N 0.4660 0.0011 91 101 LYS N 0.4713 0.0007 92 102 LEU N 0.4924 0.0014 93 104 GLU N 0.5433 0.0012 94 105 GLY N 0.5336 0.0013 95 106 GLU N 0.5485 0.0009 96 108 TYR N 0.5138 0.0032 97 109 MET N 0.4806 0.0022 98 110 PHE N 0.4612 0.0012 99 111 PHE N 0.4558 0.0017 100 112 CYS N 0.4679 0.0016 101 113 THR N 0.4761 0.0042 102 114 PHE N 0.4706 0.0035 103 116 GLY N 0.5141 0.0037 104 117 HIS N 0.4588 0.0044 105 118 SER N 0.4746 0.0020 106 119 ALA N 0.5016 0.0010 107 120 LEU N 0.5135 0.0018 108 121 MET N 0.5298 0.0026 109 122 LYS N 0.4884 0.0039 110 123 GLY N 0.4734 0.0008 111 124 THR N 0.4795 0.0015 112 125 LEU N 0.4724 0.0015 113 127 LEU N 0.5000 0.0034 114 128 LYS N 0.5006 0.0019 stop_ save_ save_15N_T1_set_800_2 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_two _Spectrometer_frequency_1H 800 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name azurin _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 GLU N 1.0297 0.0042 2 4 SER N 0.5971 0.0050 3 5 VAL N 0.5974 0.0051 4 6 ASP N 0.6514 0.0057 5 8 GLN N 0.6350 0.0064 6 9 GLY N 0.6345 0.0080 7 10 ASN N 0.6237 0.0071 8 11 ASP N 0.6467 0.0094 9 12 GLN N 0.6602 0.0048 10 13 MET N 0.6031 0.0060 11 14 GLN N 0.6511 0.0066 12 15 PHE N 0.6372 0.0085 13 16 ASN N 0.6229 0.0052 14 17 THR N 0.6647 0.0052 15 18 ASN N 0.6453 0.0057 16 19 ALA N 0.6152 0.0042 17 20 ILE N 0.6658 0.0078 18 21 THR N 0.6496 0.0060 19 22 VAL N 0.6456 0.0059 20 23 ASP N 0.6386 0.0046 21 24 LYS N 0.6660 0.0063 22 25 SER N 0.5955 0.0062 23 26 CYS N 0.5894 0.0040 24 27 LYS N 0.6500 0.0074 25 28 GLN N 0.6633 0.0056 26 29 PHE N 0.6315 0.0066 27 30 THR N 0.6571 0.0248 28 31 VAL N 0.6302 0.0058 29 32 ASN N 0.6225 0.0051 30 33 LEU N 0.6244 0.0060 31 34 SER N 0.5801 0.0099 32 35 HIS N 0.6604 0.0099 33 37 GLY N 0.6390 0.0240 34 39 LEU N 0.6540 0.0120 35 41 LYS N 0.6219 0.0056 36 42 ASN N 0.5923 0.0044 37 43 VAL N 0.5981 0.0058 38 44 MET N 0.6214 0.0058 39 45 GLY N 0.6639 0.0078 40 46 HIS N 0.6222 0.0141 41 47 ASN N 0.6222 0.0127 42 48 TRP N 0.6463 0.0070 43 49 VAL N 0.6000 0.0076 44 50 LEU N 0.6014 0.0058 45 51 SER N 0.5661 0.0141 46 52 THR N 0.5873 0.0184 47 53 ALA N 0.6399 0.0084 48 54 ALA N 0.6684 0.0060 49 55 ASP N 0.6616 0.0057 50 56 MET N 0.6310 0.0048 51 57 GLN N 0.6248 0.0047 52 58 GLY N 0.6299 0.0050 53 61 THR N 0.6348 0.0062 54 62 ASP N 0.6243 0.0063 55 63 GLY N 0.5762 0.0081 56 64 MET N 0.6117 0.0058 57 65 ALA N 0.6514 0.0066 58 66 SER N 0.6625 0.0060 59 67 GLY N 0.6626 0.0053 60 69 ASP N 0.6145 0.0054 61 70 LYS N 0.6580 0.0049 62 71 ASP N 0.6313 0.0071 63 72 TYR N 0.5997 0.0064 64 73 LEU N 0.6119 0.0056 65 74 LYS N 0.6113 0.0093 66 76 ASP N 0.6867 0.0055 67 77 ASP N 0.7278 0.0072 68 78 SER N 0.6237 0.0045 69 79 ARG N 0.6229 0.0058 70 80 VAL N 0.6249 0.0042 71 81 ILE N 0.6008 0.0061 72 82 ALA N 0.6383 0.0069 73 83 HIS N 0.6290 0.0042 74 84 THR N 0.6051 0.0156 75 85 LYS N 0.5982 0.0104 76 86 LEU N 0.6048 0.0058 77 87 ILE N 0.5946 0.0212 78 88 GLY N 0.6242 0.0226 79 89 SER N 0.6575 0.0082 80 90 GLY N 0.6426 0.0092 81 91 GLU N 0.6198 0.0060 82 92 LYS N 0.6391 0.0061 83 93 ASP N 0.6201 0.0099 84 94 SER N 0.6845 0.0057 85 95 VAL N 0.5943 0.0060 86 96 THR N 0.6494 0.0071 87 97 PHE N 0.5893 0.0106 88 98 ASP N 0.6690 0.0048 89 99 VAL N 0.6228 0.0057 90 100 SER N 0.5853 0.0091 91 101 LYS N 0.5924 0.0056 92 102 LEU N 0.6312 0.0060 93 104 GLU N 0.6989 0.0056 94 105 GLY N 0.6699 0.0043 95 106 GLU N 0.6738 0.0051 96 108 TYR N 0.6673 0.0072 97 109 MET N 0.6241 0.0127 98 110 PHE N 0.5872 0.0067 99 111 PHE N 0.5842 0.0055 100 112 CYS N 0.6025 0.0149 101 113 THR N 0.6147 0.0240 102 114 PHE N 0.5958 0.0078 103 116 GLY N 0.6802 0.0079 104 117 HIS N 0.5694 0.0059 105 118 SER N 0.6128 0.0233 106 119 ALA N 0.6264 0.0058 107 120 LEU N 0.6663 0.0089 108 121 MET N 0.7049 0.0070 109 122 LYS N 0.6364 0.0056 110 123 GLY N 0.6039 0.0060 111 124 THR N 0.6177 0.0050 112 125 LEU N 0.6087 0.0055 113 127 LEU N 0.6351 0.0064 114 128 LYS N 0.6295 0.0053 stop_ save_ save_15N_T2_set_500_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 500 _T2_coherence_type Ny _T2_value_units s _Mol_system_component_name azurin _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 GLU N 0.18010 0.00051 . . 2 3 CYS N 0.08213 0.00221 . . 3 5 VAL N 0.08195 0.00062 . . 4 6 ASP N 0.09040 0.00055 . . 5 7 ILE N 0.09131 0.00089 . . 6 9 GLY N 0.08976 0.00209 . . 7 10 ASN N 0.08174 0.00106 . . 8 11 ASP N 0.08460 0.00418 . . 9 12 GLN N 0.08049 0.00066 . . 10 14 GLN N 0.08930 0.00060 . . 11 15 PHE N 0.08833 0.00094 . . 12 16 ASN N 0.09125 0.00093 . . 13 17 THR N 0.09489 0.00065 . . 14 18 ASN N 0.09346 0.00440 . . 15 21 THR N 0.09037 0.00061 . . 16 22 VAL N 0.09405 0.00086 . . 17 23 ASP N 0.08772 0.00066 . . 18 24 LYS N 0.09169 0.00069 . . 19 25 SER N 0.08718 0.00176 . . 20 26 CYS N 0.08530 0.00085 . . 21 27 LYS N 0.08610 0.00108 . . 22 28 GLN N 0.08743 0.00054 . . 23 29 PHE N 0.08494 0.00119 . . 24 30 THR N 0.08360 0.00234 . . 25 31 VAL N 0.08551 0.00085 . . 26 32 ASN N 0.08679 0.00262 . . 27 33 LEU N 0.08800 0.00119 . . 28 34 SER N 0.08453 0.00084 . . 29 35 HIS N 0.09118 0.00200 . . 30 37 GLY N 0.08925 0.00265 . . 31 39 LEU N 0.08582 0.00136 . . 32 41 LYS N 0.08731 0.00136 . . 33 42 ASN N 0.08841 0.00057 . . 34 43 VAL N 0.08657 0.00065 . . 35 44 MET N 0.08786 0.00175 . . 36 45 GLY N 0.07770 0.00072 . . 37 46 HIS N 0.08859 0.00144 . . 38 47 ASN N 0.08911 0.00114 . . 39 48 TRP N 0.09120 0.00138 . . 40 49 VAL N 0.08786 0.00134 . . 41 50 LEU N 0.08375 0.00097 . . 42 51 SER N 0.08242 0.00131 . . 43 52 THR N 0.08750 0.00300 . . 44 53 ALA N 0.07755 0.00089 . . 45 54 ALA N 0.07515 0.00035 . . 46 55 ASP N 0.08113 0.00099 . . 47 56 MET N 0.07894 0.00053 . . 48 57 GLN N 0.08201 0.00040 . . 49 58 GLY N 0.07840 0.00132 . . 50 59 VAL N 0.07778 0.00049 . . 51 60 VAL N 0.07931 0.00112 . . 52 61 THR N 0.07848 0.00153 . . 53 62 ASP N 0.07625 0.00049 . . 54 63 GLY N 0.08076 0.00084 . . 55 64 MET N 0.08181 0.00076 . . 56 65 ALA N 0.08114 0.00066 . . 57 66 SER N 0.09165 0.00085 . . 58 67 GLY N 0.09211 0.00089 . . 59 68 LEU N 0.07772 0.00064 . . 60 69 ASP N 0.08346 0.00084 . . 61 70 LYS N 0.08515 0.00049 . . 62 71 ASP N 0.07721 0.00055 . . 63 72 TYR N 0.08038 0.00064 . . 64 73 LEU N 0.08419 0.00116 . . 65 74 LYS N 0.09065 0.00190 . . 66 76 ASP N 0.09392 0.00059 . . 67 77 ASP N 0.10160 0.00032 . . 68 78 SER N 0.09215 0.00059 . . 69 79 ARG N 0.07393 0.00064 . . 70 80 VAL N 0.08686 0.00039 . . 71 81 ILE N 0.08596 0.00079 . . 72 82 ALA N 0.08371 0.00052 . . 73 83 HIS N 0.08961 0.00162 . . 74 84 THR N 0.08596 0.00124 . . 75 85 LYS N 0.08037 0.00145 . . 76 86 LEU N 0.08375 0.00119 . . 77 87 ILE N 0.08129 0.00145 . . 78 88 GLY N 0.05416 0.00260 . . 79 89 SER N 0.07352 0.00179 . . 80 90 GLY N 0.08899 0.00114 . . 81 91 GLU N 0.08804 0.00068 . . 82 92 LYS N 0.08812 0.00060 . . 83 93 ASP N 0.08910 0.00082 . . 84 94 SER N 0.09899 0.00139 . . 85 95 VAL N 0.08338 0.00076 . . 86 96 THR N 0.08822 0.00075 . . 87 97 PHE N 0.08528 0.00170 . . 88 98 ASP N 0.08533 0.00078 . . 89 99 VAL N 0.08917 0.00197 . . 90 100 SER N 0.08863 0.00052 . . 91 101 LYS N 0.08463 0.00188 . . 92 102 LEU N 0.08476 0.00048 . . 93 103 LYS N 0.08351 0.00106 . . 94 104 GLU N 0.09158 0.00041 . . 95 105 GLY N 0.10355 0.00064 . . 96 106 GLU N 0.09748 0.00097 . . 97 107 GLN N 0.10680 0.00071 . . 98 108 TYR N 0.09691 0.00110 . . 99 109 MET N 0.08653 0.00093 . . 100 110 PHE N 0.08231 0.00126 . . 101 111 PHE N 0.08331 0.00296 . . 102 112 CYS N 0.08267 0.00147 . . 103 113 THR N 0.08528 0.00095 . . 104 114 PHE N 0.07784 0.00211 . . 105 116 GLY N 0.09052 0.00095 . . 106 117 HIS N 0.08573 0.00215 . . 107 118 SER N 0.08300 0.00201 . . 108 119 ALA N 0.08167 0.00064 . . 109 120 LEU N 0.09282 0.00067 . . 110 122 LYS N 0.08760 0.00049 . . 111 123 GLY N 0.08672 0.00055 . . 112 124 THR N 0.08951 0.00076 . . 113 125 LEU N 0.08771 0.00079 . . 114 126 THR N 0.08403 0.00216 . . 115 127 LEU N 0.09195 0.00265 . . 116 128 LYS N 0.09731 0.00173 . . stop_ save_ save_15N_T2_set_600_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 600 _T2_coherence_type Ny _T2_value_units s _Mol_system_component_name azurin _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 GLU N 0.17210 0.00051 . . 2 3 CYS N 0.08873 0.00705 . . 3 5 VAL N 0.07408 0.00046 . . 4 6 ASP N 0.08395 0.00078 . . 5 7 ILE N 0.08461 0.00101 . . 6 9 GLY N 0.08429 0.00083 . . 7 10 ASN N 0.07505 0.00057 . . 8 11 ASP N 0.07608 0.00110 . . 9 12 GLN N 0.07562 0.00036 . . 10 14 GLN N 0.08246 0.00036 . . 11 15 PHE N 0.08175 0.00066 . . 12 16 ASN N 0.08422 0.00056 . . 13 17 THR N 0.08918 0.00061 . . 14 18 ASN N 0.08783 0.00072 . . 15 21 THR N 0.08553 0.00041 . . 16 22 VAL N 0.08866 0.00079 . . 17 23 ASP N 0.08142 0.00040 . . 18 24 LYS N 0.08480 0.00042 . . 19 25 SER N 0.07902 0.00139 . . 20 26 CYS N 0.08037 0.00034 . . 21 27 LYS N 0.07716 0.00045 . . 22 28 GLN N 0.08078 0.00062 . . 23 29 PHE N 0.07927 0.00050 . . 24 30 THR N 0.07862 0.00199 . . 25 31 VAL N 0.08416 0.00119 . . 26 32 ASN N 0.08459 0.00062 . . 27 33 LEU N 0.08352 0.00127 . . 28 34 SER N 0.07806 0.00057 . . 29 35 HIS N 0.08408 0.00088 . . 30 37 GLY N 0.08438 0.00159 . . 31 39 LEU N 0.08058 0.00071 . . 32 41 LYS N 0.08400 0.00175 . . 33 42 ASN N 0.08270 0.00040 . . 34 43 VAL N 0.08109 0.00035 . . 35 44 MET N 0.08180 0.00049 . . 36 45 GLY N 0.06958 0.00042 . . 37 46 HIS N 0.08141 0.00166 . . 38 47 ASN N 0.08353 0.00065 . . 39 48 TRP N 0.08448 0.00124 . . 40 49 VAL N 0.08206 0.00128 . . 41 50 LEU N 0.07963 0.00045 . . 42 51 SER N 0.07923 0.00080 . . 43 52 THR N 0.08424 0.00140 . . 44 53 ALA N 0.06933 0.00081 . . 45 54 ALA N 0.06951 0.00034 . . 46 55 ASP N 0.07497 0.00071 . . 47 56 MET N 0.07218 0.00094 . . 48 57 GLN N 0.07576 0.00026 . . 49 58 GLY N 0.07414 0.00045 . . 50 59 VAL N 0.07192 0.00032 . . 51 60 VAL N 0.07408 0.00079 . . 52 61 THR N 0.07011 0.00064 . . 53 62 ASP N 0.07129 0.00034 . . 54 63 GLY N 0.07583 0.00067 . . 55 64 MET N 0.07583 0.00052 . . 56 65 ALA N 0.07462 0.00038 . . 57 66 SER N 0.08532 0.00040 . . 58 67 GLY N 0.08687 0.00059 . . 59 68 LEU N 0.07230 0.00033 . . 60 69 ASP N 0.07631 0.00015 . . 61 70 LYS N 0.07809 0.00027 . . 62 71 ASP N 0.07193 0.00043 . . 63 72 TYR N 0.07258 0.00030 . . 64 73 LEU N 0.07775 0.00045 . . 65 74 LYS N 0.08504 0.00083 . . 66 76 ASP N 0.08624 0.00033 . . 67 77 ASP N 0.09285 0.00020 . . 68 78 SER N 0.08626 0.00127 . . 69 79 ARG N 0.06817 0.00050 . . 70 80 VAL N 0.08069 0.00039 . . 71 81 ILE N 0.07661 0.00080 . . 72 82 ALA N 0.07925 0.00078 . . 73 83 HIS N 0.08339 0.00033 . . 74 84 THR N 0.08289 0.00088 . . 75 85 LYS N 0.07601 0.00087 . . 76 86 LEU N 0.07772 0.00190 . . 77 87 ILE N 0.07319 0.00096 . . 78 88 GLY N 0.04191 0.00262 . . 79 89 SER N 0.06839 0.00204 . . 80 90 GLY N 0.08264 0.00184 . . 81 91 GLU N 0.07986 0.00062 . . 82 92 LYS N 0.08311 0.00076 . . 83 93 ASP N 0.08231 0.00076 . . 84 94 SER N 0.09201 0.00048 . . 85 95 VAL N 0.08064 0.00030 . . 86 96 THR N 0.08462 0.00033 . . 87 97 PHE N 0.07952 0.00054 . . 88 98 ASP N 0.07952 0.00032 . . 89 99 VAL N 0.08385 0.00105 . . 90 100 SER N 0.08221 0.00048 . . 91 101 LYS N 0.07799 0.00042 . . 92 102 LEU N 0.07867 0.00051 . . 93 103 LYS N 0.07667 0.00043 . . 94 104 GLU N 0.08507 0.00039 . . 95 105 GLY N 0.09692 0.00042 . . 96 106 GLU N 0.08998 0.00035 . . 97 107 GLN N 0.10100 0.00071 . . 98 108 TYR N 0.09219 0.00171 . . 99 109 MET N 0.07985 0.00070 . . 100 110 PHE N 0.07928 0.00122 . . 101 111 PHE N 0.07711 0.00076 . . 102 112 CYS N 0.07753 0.00058 . . 103 113 THR N 0.07934 0.00100 . . 104 114 PHE N 0.06953 0.00235 . . 105 116 GLY N 0.08465 0.00077 . . 106 117 HIS N 0.07853 0.00094 . . 107 118 SER N 0.07686 0.00077 . . 108 119 ALA N 0.07451 0.00027 . . 109 120 LEU N 0.08783 0.00124 . . 110 122 LYS N 0.08214 0.00039 . . 111 123 GLY N 0.08208 0.00094 . . 112 124 THR N 0.08326 0.00065 . . 113 125 LEU N 0.08299 0.00045 . . 114 126 THR N 0.08070 0.00153 . . 115 127 LEU N 0.08802 0.00119 . . 116 128 LYS N 0.08876 0.00048 . . stop_ save_ save_15N_T2_set_800_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 800 _T2_coherence_type Ny _T2_value_units s _Mol_system_component_name azurin _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 GLU N 0.14280 0.00054 . . 2 3 CYS N 0.07388 0.03450 . . 3 5 VAL N 0.06053 0.00023 . . 4 6 ASP N 0.07094 0.00056 . . 5 7 ILE N 0.07362 0.00069 . . 6 9 GLY N 0.06950 0.00056 . . 7 10 ASN N 0.06203 0.00039 . . 8 11 ASP N 0.06217 0.00106 . . 9 12 GLN N 0.06394 0.00031 . . 10 14 GLN N 0.06510 0.00040 . . 11 15 PHE N 0.06804 0.00064 . . 12 16 ASN N 0.07219 0.00042 . . 13 17 THR N 0.07320 0.00043 . . 14 18 ASN N 0.07403 0.00068 . . 15 21 THR N 0.07181 0.00037 . . 16 22 VAL N 0.07260 0.00079 . . 17 23 ASP N 0.06546 0.00024 . . 18 24 LYS N 0.07126 0.00030 . . 19 25 SER N 0.06622 0.00045 . . 20 26 CYS N 0.06719 0.00035 . . 21 27 LYS N 0.06070 0.00038 . . 22 28 GLN N 0.06720 0.00033 . . 23 29 PHE N 0.06921 0.00029 . . 24 30 THR N 0.06807 0.00112 . . 25 31 VAL N 0.07149 0.00043 . . 26 32 ASN N 0.07263 0.00046 . . 27 33 LEU N 0.06779 0.00072 . . 28 34 SER N 0.06346 0.00041 . . 29 35 HIS N 0.07167 0.00070 . . 30 37 GLY N 0.06632 0.00099 . . 31 39 LEU N 0.06570 0.00078 . . 32 41 LYS N 0.06977 0.00035 . . 33 42 ASN N 0.06550 0.00035 . . 34 43 VAL N 0.06731 0.00046 . . 35 44 MET N 0.06931 0.00035 . . 36 45 GLY N 0.05449 0.00061 . . 37 46 HIS N 0.06983 0.00077 . . 38 47 ASN N 0.06935 0.00047 . . 39 48 TRP N 0.07303 0.00073 . . 40 49 VAL N 0.06757 0.00055 . . 41 50 LEU N 0.07016 0.00052 . . 42 51 SER N 0.06559 0.00062 . . 43 52 THR N 0.06899 0.00131 . . 44 53 ALA N 0.05755 0.00087 . . 45 54 ALA N 0.05790 0.00024 . . 46 55 ASP N 0.06517 0.00062 . . 47 56 MET N 0.05911 0.00029 . . 48 57 GLN N 0.06325 0.00022 . . 49 58 GLY N 0.05973 0.00014 . . 50 59 VAL N 0.06180 0.00029 . . 51 60 VAL N 0.06213 0.00022 . . 52 61 THR N 0.05806 0.00022 . . 53 62 ASP N 0.05963 0.00042 . . 54 63 GLY N 0.06445 0.00061 . . 55 64 MET N 0.06325 0.00036 . . 56 65 ALA N 0.06267 0.00032 . . 57 66 SER N 0.07274 0.00043 . . 58 67 GLY N 0.07600 0.00053 . . 59 68 LEU N 0.06114 0.00032 . . 60 69 ASP N 0.06444 0.00017 . . 61 70 LYS N 0.06562 0.00033 . . 62 71 ASP N 0.06128 0.00028 . . 63 72 TYR N 0.06325 0.00029 . . 64 73 LEU N 0.06493 0.00026 . . 65 74 LYS N 0.07058 0.00064 . . 66 76 ASP N 0.07233 0.00026 . . 67 77 ASP N 0.07608 0.00018 . . 68 78 SER N 0.07293 0.00042 . . 69 79 ARG N 0.05722 0.00035 . . 70 80 VAL N 0.06869 0.00025 . . 71 81 ILE N 0.06698 0.00063 . . 72 82 ALA N 0.06819 0.00029 . . 73 83 HIS N 0.07095 0.00038 . . 74 84 THR N 0.06822 0.00046 . . 75 85 LYS N 0.06117 0.00042 . . 76 86 LEU N 0.06593 0.00023 . . 77 87 ILE N 0.05877 0.00062 . . 78 88 GLY N 0.02691 0.00393 . . 79 89 SER N 0.05104 0.00153 . . 80 90 GLY N 0.06776 0.00049 . . 81 91 GLU N 0.06435 0.00053 . . 82 92 LYS N 0.07156 0.00017 . . 83 93 ASP N 0.07068 0.00032 . . 84 94 SER N 0.07661 0.00039 . . 85 95 VAL N 0.06760 0.00031 . . 86 96 THR N 0.07293 0.00065 . . 87 97 PHE N 0.06633 0.00025 . . 88 98 ASP N 0.06731 0.00028 . . 89 99 VAL N 0.06775 0.00066 . . 90 100 SER N 0.06871 0.00037 . . 91 101 LYS N 0.06509 0.00022 . . 92 102 LEU N 0.06584 0.00038 . . 93 103 LYS N 0.06553 0.00039 . . 94 104 GLU N 0.07167 0.00044 . . 95 105 GLY N 0.08057 0.00043 . . 96 106 GLU N 0.07218 0.00040 . . 97 107 GLN N 0.08512 0.00047 . . 98 108 TYR N 0.07846 0.00099 . . 99 109 MET N 0.06906 0.00081 . . 100 110 PHE N 0.06794 0.00028 . . 101 111 PHE N 0.06524 0.00032 . . 102 112 CYS N 0.06472 0.00080 . . 103 113 THR N 0.06672 0.00059 . . 104 114 PHE N 0.06008 0.00070 . . 105 116 GLY N 0.07343 0.00076 . . 106 117 HIS N 0.06665 0.00062 . . 107 118 SER N 0.06285 0.00066 . . 108 119 ALA N 0.06161 0.00022 . . 109 120 LEU N 0.07299 0.00062 . . 110 122 LYS N 0.06948 0.00033 . . 111 123 GLY N 0.06633 0.00066 . . 112 124 THR N 0.06698 0.00034 . . 113 125 LEU N 0.07007 0.00051 . . 114 126 THR N 0.06718 0.00041 . . 115 127 LEU N 0.07050 0.00055 . . 116 128 LYS N 0.07364 0.00022 . . stop_ save_ save_15N_T2_set_900_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 900 _T2_coherence_type Ny _T2_value_units s _Mol_system_component_name azurin _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 GLU N 0.13767 0.00064 . . 2 3 CYS N 0.06224 0.00735 . . 3 5 VAL N 0.05513 0.00044 . . 4 6 ASP N 0.06305 0.00020 . . 5 7 ILE N 0.06708 0.00038 . . 6 9 GLY N 0.06485 0.00056 . . 7 10 ASN N 0.05616 0.00029 . . 8 11 ASP N 0.05530 0.00133 . . 9 12 GLN N 0.05661 0.00165 . . 10 14 GLN N 0.06117 0.00034 . . 11 15 PHE N 0.06562 0.00030 . . 12 16 ASN N 0.06502 0.00092 . . 13 17 THR N 0.06543 0.00017 . . 14 18 ASN N 0.06891 0.00034 . . 15 21 THR N 0.06464 0.00037 . . 16 22 VAL N 0.06710 0.00047 . . 17 23 ASP N 0.05872 0.00050 . . 18 24 LYS N 0.06250 0.00036 . . 19 25 SER N 0.05713 0.00024 . . 20 26 CYS N 0.06017 0.00038 . . 21 27 LYS N 0.05422 0.00053 . . 22 28 GLN N 0.06016 0.00021 . . 23 29 PHE N 0.06318 0.00066 . . 24 30 THR N 0.06404 0.00068 . . 25 31 VAL N 0.06406 0.00067 . . 26 32 ASN N 0.06385 0.00060 . . 27 33 LEU N 0.06284 0.00048 . . 28 34 SER N 0.05862 0.00064 . . 29 35 HIS N 0.06533 0.00041 . . 30 37 GLY N 0.06042 0.00042 . . 31 39 LEU N 0.05908 0.00084 . . 32 41 LYS N 0.06540 0.00024 . . 33 42 ASN N 0.06013 0.00015 . . 34 43 VAL N 0.05903 0.00055 . . 35 44 MET N 0.06510 0.00043 . . 36 45 GLY N 0.04651 0.00064 . . 37 46 HIS N 0.06357 0.00141 . . 38 47 ASN N 0.06253 0.00023 . . 39 48 TRP N 0.06698 0.00067 . . 40 49 VAL N 0.06206 0.00035 . . 41 50 LEU N 0.06240 0.00039 . . 42 51 SER N 0.05973 0.00028 . . 43 52 THR N 0.06235 0.00059 . . 44 53 ALA N 0.05102 0.00029 . . 45 54 ALA N 0.05266 0.00019 . . 46 55 ASP N 0.05776 0.00019 . . 47 56 MET N 0.05574 0.00028 . . 48 57 GLN N 0.05564 0.00044 . . 49 58 GLY N 0.05394 0.00041 . . 50 59 VAL N 0.05659 0.00065 . . 51 60 VAL N 0.05695 0.00047 . . 52 61 THR N 0.05354 0.00075 . . 53 62 ASP N 0.05405 0.00052 . . 54 63 GLY N 0.05592 0.00068 . . 55 64 MET N 0.05692 0.00053 . . 56 65 ALA N 0.05689 0.00029 . . 57 66 SER N 0.06517 0.00015 . . 58 67 GLY N 0.06806 0.00026 . . 59 68 LEU N 0.05525 0.00051 . . 60 69 ASP N 0.05698 0.00047 . . 61 70 LYS N 0.06088 0.00026 . . 62 71 ASP N 0.05413 0.00040 . . 63 72 TYR N 0.05739 0.00030 . . 64 73 LEU N 0.05945 0.00038 . . 65 74 LYS N 0.06355 0.00027 . . 66 76 ASP N 0.06739 0.00057 . . 67 77 ASP N 0.06862 0.00051 . . 68 78 SER N 0.06435 0.00031 . . 69 79 ARG N 0.05304 0.00018 . . 70 80 VAL N 0.06300 0.00031 . . 71 81 ILE N 0.05971 0.00060 . . 72 82 ALA N 0.06156 0.00055 . . 73 83 HIS N 0.06364 0.00047 . . 74 84 THR N 0.06354 0.00093 . . 75 85 LYS N 0.05850 0.00068 . . 76 86 LEU N 0.06037 0.00058 . . 77 87 ILE N 0.05426 0.00087 . . 78 88 GLY N 0.02499 0.00196 . . 79 89 SER N 0.04844 0.00111 . . 80 90 GLY N 0.06266 0.00027 . . 81 91 GLU N 0.05922 0.00086 . . 82 92 LYS N 0.06356 0.00012 . . 83 93 ASP N 0.06437 0.00026 . . 84 94 SER N 0.06888 0.00062 . . 85 95 VAL N 0.06137 0.00057 . . 86 96 THR N 0.06457 0.00065 . . 87 97 PHE N 0.06067 0.00026 . . 88 98 ASP N 0.06437 0.00026 . . 89 99 VAL N 0.05942 0.00042 . . 90 100 SER N 0.06034 0.00017 . . 91 101 LYS N 0.05798 0.00191 . . 92 102 LEU N 0.06068 0.00033 . . 93 103 LYS N 0.06074 0.00036 . . 94 104 GLU N 0.06470 0.00015 . . 95 105 GLY N 0.07242 0.00023 . . 96 106 GLU N 0.06652 0.00046 . . 97 107 GLN N 0.07623 0.00083 . . 98 108 TYR N 0.07171 0.00069 . . 99 109 MET N 0.06447 0.00028 . . 100 110 PHE N 0.06080 0.00053 . . 101 111 PHE N 0.05744 0.00031 . . 102 112 CYS N 0.06138 0.00028 . . 103 113 THR N 0.06170 0.00063 . . 104 114 PHE N 0.05141 0.00051 . . 105 116 GLY N 0.06724 0.00067 . . 106 117 HIS N 0.05807 0.00049 . . 107 118 SER N 0.05705 0.00052 . . 108 119 ALA N 0.05626 0.00039 . . 109 120 LEU N 0.06681 0.00065 . . 110 122 LYS N 0.06156 0.00062 . . 111 123 GLY N 0.06085 0.00076 . . 112 124 THR N 0.06141 0.00053 . . 113 125 LEU N 0.06336 0.00025 . . 114 126 THR N 0.06172 0.00025 . . 115 127 LEU N 0.06389 0.00050 . . 116 128 LYS N 0.06807 0.00034 . . stop_ save_ save_15N_T2_set_500_2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_two _Spectrometer_frequency_1H 500 _T2_coherence_type Ny _T2_value_units s _Mol_system_component_name azurin _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 GLU N 0.33025 0.01874 . . 2 4 SER N 0.15700 0.00127 . . 3 5 VAL N 0.15135 0.00048 . . 4 6 ASP N 0.16235 0.00059 . . 5 8 GLN N 0.15785 0.00067 . . 6 9 GLY N 0.15920 0.00085 . . 7 10 ASN N 0.13480 0.00046 . . 8 11 ASP N 0.14460 0.00064 . . 9 12 GLN N 0.14250 0.00039 . . 10 13 MET N 0.14990 0.00046 . . 11 14 GLN N 0.16135 0.00134 . . 12 15 PHE N 0.15735 0.00219 . . 13 16 ASN N 0.16135 0.00052 . . 14 17 THR N 0.17530 0.00141 . . 15 18 ASN N 0.16530 0.00156 . . 16 19 ALA N 0.15820 0.00099 . . 17 20 ILE N 0.16235 0.00134 . . 18 21 THR N 0.16105 0.00086 . . 19 22 VAL N 0.16620 0.00084 . . 20 23 ASP N 0.15910 0.00071 . . 21 24 LYS N 0.16410 0.00067 . . 22 25 SER N 0.15785 0.00078 . . 23 26 CYS N 0.15305 0.00041 . . 24 27 LYS N 0.15400 0.00068 . . 25 28 GLN N 0.15870 0.00052 . . 26 29 PHE N 0.15170 0.00071 . . 27 30 THR N 0.15245 0.00262 . . 28 31 VAL N 0.15705 0.00120 . . 29 32 ASN N 0.15585 0.00064 . . 30 33 LEU N 0.15995 0.00057 . . 31 34 SER N 0.14855 0.00120 . . 32 35 HIS N 0.14500 0.00184 . . 33 37 GLY N 0.15240 0.00130 . . 34 39 LEU N 0.18010 0.00098 . . 35 41 LYS N 0.15985 0.00049 . . 36 42 ASN N 0.15775 0.00078 . . 37 43 VAL N 0.15225 0.00079 . . 38 44 MET N 0.15275 0.00056 . . 39 45 GLY N 0.12440 0.00048 . . 40 46 HIS N 0.15225 0.00115 . . 41 47 ASN N 0.13780 0.00084 . . 42 48 TRP N 0.14220 0.00110 . . 43 49 VAL N 0.15410 0.00145 . . 44 50 LEU N 0.14965 0.00063 . . 45 51 SER N 0.14945 0.00067 . . 46 52 THR N 0.15940 0.00283 . . 47 53 ALA N 0.13705 0.00106 . . 48 54 ALA N 0.13725 0.00064 . . 49 55 ASP N 0.14615 0.00135 . . 50 56 MET N 0.14215 0.00031 . . 51 57 GLN N 0.14850 0.00043 . . 52 58 GLY N 0.14515 0.00048 . . 53 61 THR N 0.13955 0.00073 . . 54 62 ASP N 0.13750 0.00099 . . 55 63 GLY N 0.14650 0.00099 . . 56 64 MET N 0.14595 0.00064 . . 57 65 ALA N 0.14855 0.00106 . . 58 66 SER N 0.16455 0.00059 . . 59 67 GLY N 0.17115 0.00071 . . 60 69 ASP N 0.14920 0.00099 . . 61 70 LYS N 0.15070 0.00046 . . 62 71 ASP N 0.14050 0.00070 . . 63 72 TYR N 0.14465 0.00050 . . 64 73 LEU N 0.14975 0.00135 . . 65 74 LYS N 0.16105 0.00191 . . 66 76 ASP N 0.16575 0.00149 . . 67 77 ASP N 0.18420 0.00071 . . 68 78 SER N 0.16530 0.00056 . . 69 79 ARG N 0.13565 0.00177 . . 70 80 VAL N 0.15520 0.00052 . . 71 81 ILE N 0.14950 0.00052 . . 72 82 ALA N 0.14975 0.00092 . . 73 83 HIS N 0.15625 0.00064 . . 74 84 THR N 0.15440 0.00089 . . 75 85 LYS N 0.14535 0.00078 . . 76 86 LEU N 0.15010 0.00059 . . 77 87 ILE N 0.14220 0.00079 . . 78 88 GLY N 0.11660 0.00141 . . 79 89 SER N 0.12925 0.00092 . . 80 90 GLY N 0.13280 0.00050 . . 81 91 GLU N 0.15380 0.00065 . . 82 92 LYS N 0.16155 0.00134 . . 83 93 ASP N 0.15685 0.00046 . . 84 94 SER N 0.17400 0.00127 . . 85 95 VAL N 0.15245 0.00064 . . 86 96 THR N 0.15985 0.00064 . . 87 97 PHE N 0.15305 0.00092 . . 88 98 ASP N 0.15605 0.00049 . . 89 99 VAL N 0.15140 0.00056 . . 90 100 SER N 0.15865 0.00064 . . 91 101 LYS N 0.15465 0.00031 . . 92 102 LEU N 0.15215 0.00064 . . 93 104 GLU N 0.16390 0.00141 . . 94 105 GLY N 0.19305 0.00149 . . 95 106 GLU N 0.17765 0.00078 . . 96 108 TYR N 0.15305 0.00067 . . 97 109 MET N 0.15515 0.00058 . . 98 110 PHE N 0.15205 0.00050 . . 99 111 PHE N 0.14590 0.00056 . . 100 112 CYS N 0.13715 0.00101 . . 101 113 THR N 0.14705 0.00049 . . 102 114 PHE N 0.09981 0.00041 . . 103 116 GLY N 0.15910 0.00082 . . 104 117 HIS N 0.13710 0.00050 . . 105 118 SER N 0.15290 0.00099 . . 106 119 ALA N 0.14625 0.00078 . . 107 120 LEU N 0.16450 0.00066 . . 108 121 MET N 0.15110 0.00103 . . 109 122 LYS N 0.15420 0.00424 . . 110 123 GLY N 0.15585 0.00078 . . 111 124 THR N 0.16170 0.00055 . . 112 125 LEU N 0.15620 0.00064 . . 113 127 LEU N 0.17075 0.00068 . . 114 128 LYS N 0.17850 0.00089 . . stop_ save_ save_15N_T2_set_600_2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_two _Spectrometer_frequency_1H 600 _T2_coherence_type Ny _T2_value_units s _Mol_system_component_name azurin _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 GLU N 0.30530 0.00852 . . 2 4 SER N 0.14750 0.00038 . . 3 5 VAL N 0.14300 0.00033 . . 4 6 ASP N 0.15610 0.00135 . . 5 8 GLN N 0.15290 0.00047 . . 6 9 GLY N 0.15350 0.00078 . . 7 10 ASN N 0.12540 0.00049 . . 8 11 ASP N 0.13510 0.00036 . . 9 12 GLN N 0.13730 0.00024 . . 10 13 MET N 0.14030 0.00073 . . 11 14 GLN N 0.15480 0.00119 . . 12 15 PHE N 0.15190 0.00111 . . 13 16 ASN N 0.15510 0.00038 . . 14 17 THR N 0.16620 0.00035 . . 15 18 ASN N 0.16150 0.00092 . . 16 19 ALA N 0.15220 0.00056 . . 17 20 ILE N 0.16050 0.00055 . . 18 21 THR N 0.15750 0.00061 . . 19 22 VAL N 0.16310 0.00088 . . 20 23 ASP N 0.15200 0.00077 . . 21 24 LYS N 0.15910 0.00063 . . 22 25 SER N 0.14840 0.00043 . . 23 26 CYS N 0.14600 0.00031 . . 24 27 LYS N 0.14450 0.00081 . . 25 28 GLN N 0.15070 0.00036 . . 26 29 PHE N 0.14840 0.00044 . . 27 30 THR N 0.14950 0.00093 . . 28 31 VAL N 0.15140 0.00103 . . 29 32 ASN N 0.15100 0.00048 . . 30 33 LEU N 0.15390 0.00035 . . 31 34 SER N 0.14060 0.00047 . . 32 35 HIS N 0.13240 0.00083 . . 33 37 GLY N 0.13940 0.00078 . . 34 39 LEU N 0.17580 0.00097 . . 35 41 LYS N 0.15350 0.00063 . . 36 42 ASN N 0.14970 0.00051 . . 37 43 VAL N 0.14700 0.00077 . . 38 44 MET N 0.14710 0.00041 . . 39 45 GLY N 0.11140 0.00037 . . 40 46 HIS N 0.14470 0.00082 . . 41 47 ASN N 0.12980 0.00088 . . 42 48 TRP N 0.13340 0.00037 . . 43 49 VAL N 0.14570 0.00106 . . 44 50 LEU N 0.14670 0.00065 . . 45 51 SER N 0.14340 0.00054 . . 46 52 THR N 0.15300 0.00108 . . 47 53 ALA N 0.12960 0.00085 . . 48 54 ALA N 0.13050 0.00038 . . 49 55 ASP N 0.14040 0.00054 . . 50 56 MET N 0.13610 0.00040 . . 51 57 GLN N 0.13990 0.00036 . . 52 58 GLY N 0.13720 0.00052 . . 53 61 THR N 0.13410 0.00062 . . 54 62 ASP N 0.13170 0.00025 . . 55 63 GLY N 0.13920 0.00064 . . 56 64 MET N 0.14060 0.00054 . . 57 65 ALA N 0.14140 0.00048 . . 58 66 SER N 0.15830 0.00059 . . 59 67 GLY N 0.16340 0.00063 . . 60 69 ASP N 0.14060 0.00052 . . 61 70 LYS N 0.14390 0.00040 . . 62 71 ASP N 0.13400 0.00024 . . 63 72 TYR N 0.13680 0.00050 . . 64 73 LEU N 0.14350 0.00050 . . 65 74 LYS N 0.15570 0.00156 . . 66 76 ASP N 0.15860 0.00060 . . 67 77 ASP N 0.17440 0.00044 . . 68 78 SER N 0.15880 0.00049 . . 69 79 ARG N 0.12940 0.00033 . . 70 80 VAL N 0.15000 0.00032 . . 71 81 ILE N 0.14140 0.00057 . . 72 82 ALA N 0.14480 0.00035 . . 73 83 HIS N 0.15040 0.00037 . . 74 84 THR N 0.14880 0.00102 . . 75 85 LYS N 0.13950 0.00055 . . 76 86 LEU N 0.14520 0.00056 . . 77 87 ILE N 0.13400 0.00114 . . 78 88 GLY N 0.10040 0.00069 . . 79 89 SER N 0.11980 0.00047 . . 80 90 GLY N 0.12110 0.00066 . . 81 91 GLU N 0.14600 0.00051 . . 82 92 LYS N 0.15520 0.00034 . . 83 93 ASP N 0.15030 0.00029 . . 84 94 SER N 0.16650 0.00043 . . 85 95 VAL N 0.14640 0.00035 . . 86 96 THR N 0.14980 0.00065 . . 87 97 PHE N 0.14650 0.00023 . . 88 98 ASP N 0.15050 0.00039 . . 89 99 VAL N 0.14560 0.00055 . . 90 100 SER N 0.15060 0.00040 . . 91 101 LYS N 0.14740 0.00038 . . 92 102 LEU N 0.14620 0.00027 . . 93 104 GLU N 0.15880 0.00046 . . 94 105 GLY N 0.18580 0.00027 . . 95 106 GLU N 0.16720 0.00049 . . 96 108 TYR N 0.14760 0.00049 . . 97 109 MET N 0.15020 0.00059 . . 98 110 PHE N 0.14570 0.00050 . . 99 111 PHE N 0.13820 0.00044 . . 100 112 CYS N 0.12620 0.00059 . . 101 113 THR N 0.14240 0.00071 . . 102 114 PHE N 0.08918 0.00056 . . 103 116 GLY N 0.15650 0.00099 . . 104 117 HIS N 0.12610 0.00051 . . 105 118 SER N 0.14300 0.00086 . . 106 119 ALA N 0.13940 0.00024 . . 107 120 LEU N 0.15840 0.00072 . . 108 121 MET N 0.14530 0.00054 . . 109 122 LYS N 0.15140 0.00042 . . 110 123 GLY N 0.15040 0.00099 . . 111 124 THR N 0.15380 0.00125 . . 112 125 LEU N 0.15140 0.00048 . . 113 127 LEU N 0.16430 0.00100 . . 114 128 LYS N 0.16660 0.00068 . . stop_ save_ save_15N_T2_set_800_2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_two _Spectrometer_frequency_1H 800 _T2_coherence_type Ny _T2_value_units s _Mol_system_component_name azurin _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 GLU N 0.26470 0.00452 . . 2 4 SER N 0.12320 0.00057 . . 3 5 VAL N 0.12125 0.00049 . . 4 6 ASP N 0.13505 0.00092 . . 5 8 GLN N 0.13415 0.00064 . . 6 9 GLY N 0.12800 0.00099 . . 7 10 ASN N 0.10050 0.00028 . . 8 11 ASP N 0.10930 0.00042 . . 9 12 GLN N 0.11835 0.00064 . . 10 13 MET N 0.11475 0.00030 . . 11 14 GLN N 0.12380 0.00099 . . 12 15 PHE N 0.12590 0.00057 . . 13 16 ASN N 0.13405 0.00033 . . 14 17 THR N 0.14040 0.00127 . . 15 18 ASN N 0.14135 0.00106 . . 16 19 ALA N 0.13215 0.00078 . . 17 20 ILE N 0.13990 0.00057 . . 18 21 THR N 0.13490 0.00035 . . 19 22 VAL N 0.13480 0.00043 . . 20 23 ASP N 0.12435 0.00064 . . 21 24 LYS N 0.13595 0.00078 . . 22 25 SER N 0.12375 0.00092 . . 23 26 CYS N 0.12315 0.00078 . . 24 27 LYS N 0.11545 0.00050 . . 25 28 GLN N 0.12955 0.00064 . . 26 29 PHE N 0.12915 0.00064 . . 27 30 THR N 0.13030 0.00099 . . 28 31 VAL N 0.13325 0.00035 . . 29 32 ASN N 0.13245 0.00049 . . 30 33 LEU N 0.12570 0.00045 . . 31 34 SER N 0.11855 0.00120 . . 32 35 HIS N 0.10535 0.00054 . . 33 37 GLY N 0.11170 0.00099 . . 34 39 LEU N 0.15065 0.00066 . . 35 41 LYS N 0.13050 0.00028 . . 36 42 ASN N 0.12170 0.00085 . . 37 43 VAL N 0.12255 0.00064 . . 38 44 MET N 0.12595 0.00092 . . 39 45 GLY N 0.08314 0.00068 . . 40 46 HIS N 0.12410 0.00064 . . 41 47 ASN N 0.10565 0.00039 . . 42 48 TRP N 0.11145 0.00049 . . 43 49 VAL N 0.12415 0.00064 . . 44 50 LEU N 0.12640 0.00043 . . 45 51 SER N 0.12180 0.00029 . . 46 52 THR N 0.12875 0.00063 . . 47 53 ALA N 0.10875 0.00079 . . 48 54 ALA N 0.11065 0.00064 . . 49 55 ASP N 0.12060 0.00057 . . 50 56 MET N 0.11410 0.00057 . . 51 57 GLN N 0.11835 0.00049 . . 52 58 GLY N 0.11360 0.00127 . . 53 61 THR N 0.11355 0.00035 . . 54 62 ASP N 0.11355 0.00050 . . 55 63 GLY N 0.11930 0.00052 . . 56 64 MET N 0.12035 0.00049 . . 57 65 ALA N 0.11915 0.00050 . . 58 66 SER N 0.13720 0.00113 . . 59 67 GLY N 0.14265 0.00044 . . 60 69 ASP N 0.11850 0.00043 . . 61 70 LYS N 0.12145 0.00092 . . 62 71 ASP N 0.11540 0.00057 . . 63 72 TYR N 0.11860 0.00057 . . 64 73 LEU N 0.12220 0.00030 . . 65 74 LYS N 0.12835 0.00057 . . 66 76 ASP N 0.13320 0.00113 . . 67 77 ASP N 0.14440 0.00085 . . 68 78 SER N 0.13540 0.00071 . . 69 79 ARG N 0.10840 0.00026 . . 70 80 VAL N 0.12850 0.00057 . . 71 81 ILE N 0.11960 0.00041 . . 72 82 ALA N 0.12620 0.00043 . . 73 83 HIS N 0.12980 0.00085 . . 74 84 THR N 0.12615 0.00065 . . 75 85 LYS N 0.11585 0.00064 . . 76 86 LEU N 0.12405 0.00035 . . 77 87 ILE N 0.10775 0.00106 . . 78 88 GLY N 0.07143 0.00031 . . 79 89 SER N 0.09108 0.00038 . . 80 90 GLY N 0.09268 0.00043 . . 81 91 GLU N 0.12210 0.00113 . . 82 92 LYS N 0.13325 0.00064 . . 83 93 ASP N 0.12695 0.00049 . . 84 94 SER N 0.14390 0.00042 . . 85 95 VAL N 0.12585 0.00036 . . 86 96 THR N 0.13290 0.00071 . . 87 97 PHE N 0.12500 0.00057 . . 88 98 ASP N 0.12720 0.00056 . . 89 99 VAL N 0.12265 0.00078 . . 90 100 SER N 0.12810 0.00028 . . 91 101 LYS N 0.12470 0.00071 . . 92 102 LEU N 0.12535 0.00035 . . 93 104 GLU N 0.13580 0.00085 . . 94 105 GLY N 0.15650 0.00061 . . 95 106 GLU N 0.13720 0.00113 . . 96 108 TYR N 0.12385 0.00092 . . 97 109 MET N 0.12755 0.00064 . . 98 110 PHE N 0.12600 0.00057 . . 99 111 PHE N 0.11790 0.00057 . . 100 112 CYS N 0.10220 0.00037 . . 101 113 THR N 0.11885 0.00134 . . 102 114 PHE N 0.07398 0.00039 . . 103 116 GLY N 0.13750 0.00071 . . 104 117 HIS N 0.10115 0.00092 . . 105 118 SER N 0.11885 0.00064 . . 106 119 ALA N 0.11485 0.00035 . . 107 120 LEU N 0.13780 0.00035 . . 108 121 MET N 0.12230 0.00048 . . 109 122 LYS N 0.13115 0.00035 . . 110 123 GLY N 0.12650 0.00113 . . 111 124 THR N 0.12845 0.00092 . . 112 125 LEU N 0.13320 0.00113 . . 113 127 LEU N 0.13430 0.00043 . . 114 128 LYS N 0.14070 0.00099 . . stop_ save_ save_heteronuclear_NOE_set_500_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 500 _Mol_system_component_name azurin _Atom_one_atom_name N _Atom_two_atom_name H _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 GLU 0.0041 0.0196 3 CYS 0.5681 0.0126 5 VAL 0.8011 0.0110 6 ASP 0.7597 0.0148 7 ILE 0.7848 0.0118 9 GLY 0.7959 0.0288 10 ASN 0.7806 0.0120 11 ASP 0.7875 0.0242 12 GLN 0.7726 0.0318 14 GLN 0.7335 0.0336 15 PHE 0.7847 0.0145 16 ASN 0.7642 0.0105 17 THR 0.6966 0.0143 18 ASN 0.7589 0.0110 21 THR 0.7721 0.0108 22 VAL 0.7629 0.0274 23 ASP 0.7516 0.0108 24 LYS 0.7822 0.0091 25 SER 0.7791 0.0096 26 CYS 0.7688 0.0126 27 LYS 0.7822 0.0116 28 GLN 0.7453 0.0101 29 PHE 0.7912 0.0219 30 THR 0.7837 0.0192 31 VAL 0.7659 0.0165 32 ASN 0.7917 0.0191 33 LEU 0.7898 0.0134 34 SER 0.7601 0.0357 35 HIS 0.7546 0.0144 37 GLY 0.7716 0.0271 39 LEU 0.7641 0.0116 41 LYS 0.7342 0.0101 42 ASN 0.7686 0.0089 43 VAL 0.7708 0.0164 44 MET 0.7540 0.0139 45 GLY 0.7732 0.0172 46 HIS 0.7681 0.0179 47 ASN 0.7560 0.0133 48 TRP 0.8017 0.0170 49 VAL 0.7720 0.0142 50 LEU 0.7720 0.0337 51 SER 0.7975 0.0120 52 THR 0.8203 0.0166 53 ALA 0.8081 0.0132 54 ALA 0.7727 0.0158 55 ASP 0.7844 0.0117 56 MET 0.7958 0.0118 57 GLN 0.7562 0.0267 58 GLY 0.7791 0.0107 59 VAL 0.8057 0.0108 60 VAL 0.7965 0.0248 61 THR 0.7837 0.0116 62 ASP 0.7933 0.0176 63 GLY 0.7858 0.0128 64 MET 0.7846 0.0098 65 ALA 0.7797 0.0086 66 SER 0.7437 0.0422 67 GLY 0.7343 0.0104 68 LEU 0.7984 0.0114 69 ASP 0.7777 0.0078 70 LYS 0.7641 0.0118 71 ASP 0.7605 0.0108 72 TYR 0.7872 0.0143 73 LEU 0.7816 0.0098 74 LYS 0.7736 0.0246 76 ASP 0.7449 0.0174 77 ASP 0.6904 0.0076 78 SER 0.7240 0.0110 79 ARG 0.7840 0.0167 80 VAL 0.7896 0.0107 81 ILE 0.7935 0.0202 82 ALA 0.7886 0.0108 83 HIS 0.7837 0.0097 84 THR 0.7999 0.0292 85 LYS 0.8003 0.0154 86 LEU 0.7628 0.0367 87 ILE 0.7813 0.0259 88 GLY 0.7776 0.0223 89 SER 0.7616 0.0114 90 GLY 0.7528 0.0137 91 GLU 0.7797 0.0115 92 LYS 0.7521 0.0096 93 ASP 0.7836 0.0102 94 SER 0.7584 0.0086 95 VAL 0.7953 0.0110 96 THR 0.7905 0.0323 97 PHE 0.7943 0.0147 98 ASP 0.7438 0.0200 99 VAL 0.7329 0.0140 100 SER 0.7792 0.0079 101 LYS 0.7457 0.0097 102 LEU 0.7653 0.0104 103 LYS 0.7161 0.0168 104 GLU 0.6968 0.0274 105 GLY 0.6404 0.0093 106 GLU 0.6692 0.0067 107 GLN 0.6258 0.0100 108 TYR 0.7070 0.0260 109 MET 0.7794 0.0193 110 PHE 0.8049 0.0120 111 PHE 0.7974 0.0119 112 CYS 0.7813 0.0205 113 THR 0.7964 0.0399 114 PHE 0.8091 0.0130 116 GLY 0.7610 0.0136 117 HIS 0.7911 0.0137 118 SER 0.7807 0.0114 119 ALA 0.7240 0.0082 120 LEU 0.7139 0.0137 122 LYS 0.7628 0.0118 123 GLY 0.7722 0.0270 124 THR 0.7755 0.0119 125 LEU 0.7811 0.0182 126 THR 0.7853 0.0138 127 LEU 0.7097 0.0115 128 LYS 0.6792 0.0092 stop_ save_ save_heteronuclear_NOE_set_600_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 600 _Mol_system_component_name azurin _Atom_one_atom_name N _Atom_two_atom_name H _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 GLU -0.0407 0.0032 3 CYS 0.5412 0.0099 5 VAL 0.8033 0.0082 6 ASP 0.7742 0.0079 7 ILE 0.7928 0.0235 9 GLY 0.8160 0.0140 10 ASN 0.7972 0.0110 11 ASP 0.7835 0.0133 12 GLN 0.7940 0.0214 14 GLN 0.7872 0.0101 15 PHE 0.7995 0.0092 16 ASN 0.7971 0.0071 17 THR 0.7359 0.0054 18 ASN 0.7678 0.0072 21 THR 0.7693 0.0147 22 VAL 0.7732 0.0420 23 ASP 0.7953 0.0069 24 LYS 0.7760 0.0057 25 SER 0.7514 0.0060 26 CYS 0.7958 0.0054 27 LYS 0.7768 0.0113 28 GLN 0.7732 0.0131 29 PHE 0.8183 0.0099 30 THR 0.8083 0.0131 31 VAL 0.8072 0.0087 32 ASN 0.7925 0.0089 33 LEU 0.8033 0.0083 34 SER 0.8037 0.0076 35 HIS 0.7623 0.0088 37 GLY 0.8170 0.0086 39 LEU 0.7801 0.0134 41 LYS 0.7678 0.0133 42 ASN 0.7880 0.0055 43 VAL 0.8061 0.0077 44 MET 0.8038 0.0080 45 GLY 0.7981 0.0103 46 HIS 0.8287 0.0255 47 ASN 0.7993 0.0162 48 TRP 0.8017 0.0102 49 VAL 0.8072 0.0101 50 LEU 0.8205 0.0134 51 SER 0.8253 0.0096 52 THR 0.8416 0.0157 53 ALA 0.8145 0.0132 54 ALA 0.7959 0.0188 55 ASP 0.7927 0.0070 56 MET 0.8301 0.0066 57 GLN 0.7956 0.0134 58 GLY 0.8198 0.0071 59 VAL 0.8158 0.0098 60 VAL 0.7847 0.0073 61 THR 0.7994 0.0072 62 ASP 0.8041 0.0069 63 GLY 0.8124 0.0077 64 MET 0.7931 0.0071 65 ALA 0.8059 0.0066 66 SER 0.7701 0.0062 67 GLY 0.7450 0.0086 68 LEU 0.8046 0.0082 69 ASP 0.7769 0.0083 70 LYS 0.7777 0.0100 71 ASP 0.8067 0.0074 72 TYR 0.8047 0.0070 73 LEU 0.8095 0.0063 74 LYS 0.7901 0.0094 76 ASP 0.7535 0.0076 77 ASP 0.6898 0.0117 78 SER 0.7712 0.0063 79 ARG 0.8025 0.0240 80 VAL 0.8111 0.0064 81 ILE 0.8008 0.0114 82 ALA 0.8210 0.0070 83 HIS 0.8080 0.0065 84 THR 0.8129 0.0152 85 LYS 0.8016 0.0099 86 LEU 0.7945 0.0079 87 ILE 0.8189 0.0124 88 GLY 0.8058 0.0172 89 SER 0.7827 0.0082 90 GLY 0.7917 0.0109 91 GLU 0.8089 0.0128 92 LYS 0.7866 0.0066 93 ASP 0.8084 0.0071 94 SER 0.7703 0.0234 95 VAL 0.8094 0.0068 96 THR 0.7804 0.0147 97 PHE 0.8010 0.0254 98 ASP 0.7896 0.0062 99 VAL 0.7738 0.0126 100 SER 0.7821 0.0058 101 LYS 0.7692 0.0075 102 LEU 0.7595 0.0062 103 LYS 0.7386 0.0124 104 GLU 0.7015 0.0087 105 GLY 0.6589 0.0087 106 GLU 0.7083 0.0051 107 GLN 0.6705 0.0199 108 TYR 0.7272 0.0163 109 MET 0.8123 0.0175 110 PHE 0.8234 0.0078 111 PHE 0.8257 0.0073 112 CYS 0.8036 0.0233 113 THR 0.8040 0.0188 114 PHE 0.8118 0.0126 116 GLY 0.7922 0.0270 117 HIS 0.8138 0.0068 118 SER 0.8107 0.0083 119 ALA 0.7514 0.0084 120 LEU 0.7261 0.0118 122 LYS 0.7831 0.0122 123 GLY 0.8002 0.0069 124 THR 0.7902 0.0072 125 LEU 0.8095 0.0104 126 THR 0.7814 0.0081 127 LEU 0.7567 0.0080 128 LYS 0.7013 0.0061 stop_ save_ save_heteronuclear_NOE_set_800_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_one _Spectrometer_frequency_1H 800 _Mol_system_component_name azurin _Atom_one_atom_name N _Atom_two_atom_name H _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 GLU 0.0750 0.0033 3 CYS 0.5812 0.0188 5 VAL 0.8830 0.0070 6 ASP 0.8290 0.0081 7 ILE 0.8652 0.0097 9 GLY 0.8680 0.0107 10 ASN 0.8751 0.0089 11 ASP 0.8687 0.0192 12 GLN 0.8653 0.0087 14 GLN 0.8705 0.0095 15 PHE 0.8591 0.0109 16 ASN 0.8879 0.0079 17 THR 0.8212 0.0065 18 ASN 0.8191 0.0082 21 THR 0.8396 0.0084 22 VAL 0.8718 0.0098 23 ASP 0.8535 0.0082 24 LYS 0.8125 0.0068 25 SER 0.8326 0.0084 26 CYS 0.8533 0.0060 27 LYS 0.8610 0.0096 28 GLN 0.8280 0.0069 29 PHE 0.8871 0.0078 30 THR 0.8986 0.0102 31 VAL 0.9060 0.0097 32 ASN 0.8988 0.0085 33 LEU 0.8752 0.0106 34 SER 0.8820 0.0090 35 HIS 0.8292 0.0116 37 GLY 0.8463 0.0087 39 LEU 0.8607 0.0086 41 LYS 0.8230 0.0086 42 ASN 0.8325 0.0063 43 VAL 0.9142 0.0107 44 MET 0.8985 0.0087 45 GLY 0.8698 0.0112 46 HIS 0.8828 0.0170 47 ASN 0.8773 0.0123 48 TRP 0.8795 0.0122 49 VAL 0.8822 0.0101 50 LEU 0.8909 0.0110 51 SER 0.8789 0.0105 52 THR 0.8887 0.0160 53 ALA 0.8810 0.0110 54 ALA 0.8923 0.0065 55 ASP 0.8752 0.0091 56 MET 0.9369 0.0091 57 GLN 0.8937 0.0068 58 GLY 0.8671 0.0080 59 VAL 0.9211 0.0078 60 VAL 0.8891 0.0082 61 THR 0.8933 0.0080 62 ASP 0.8806 0.0079 63 GLY 0.8917 0.0093 64 MET 0.8973 0.0069 65 ALA 0.8412 0.0068 66 SER 0.8406 0.0066 67 GLY 0.8138 0.0098 68 LEU 0.8489 0.0076 69 ASP 0.8235 0.0056 70 LYS 0.8771 0.0093 71 ASP 0.8724 0.0080 72 TYR 0.8873 0.0086 73 LEU 0.8957 0.0077 74 LYS 0.8802 0.0111 76 ASP 0.7958 0.0081 77 ASP 0.7529 0.0052 78 SER 0.8079 0.0071 79 ARG 0.8830 0.0086 80 VAL 0.8764 0.0077 81 ILE 0.9064 0.0134 82 ALA 0.8950 0.0080 83 HIS 0.9172 0.0068 84 THR 0.9034 0.0113 85 LYS 0.8487 0.0126 86 LEU 0.8869 0.0088 87 ILE 0.8743 0.0170 88 GLY 0.8767 0.0296 89 SER 0.8491 0.0119 90 GLY 0.8576 0.0102 91 GLU 0.8490 0.0081 92 LYS 0.8729 0.0070 93 ASP 0.8795 0.0082 94 SER 0.8534 0.0056 95 VAL 0.8963 0.0076 96 THR 0.8510 0.0082 97 PHE 0.8763 0.0079 98 ASP 0.8614 0.0079 99 VAL 0.8830 0.0099 100 SER 0.8408 0.0061 101 LYS 0.8524 0.0073 102 LEU 0.8725 0.0076 103 LYS 0.7826 0.0086 104 GLU 0.7604 0.0071 105 GLY 0.7028 0.0076 106 GLU 0.8335 0.0064 107 GLN 0.7821 0.0086 108 TYR 0.8210 0.0116 109 MET 0.8608 0.0099 110 PHE 0.8955 0.0084 111 PHE 0.9128 0.0080 112 CYS 0.8871 0.0124 113 THR 0.8978 0.0134 114 PHE 0.8833 0.0123 116 GLY 0.8718 0.0103 117 HIS 0.8888 0.0076 118 SER 0.8451 0.0110 119 ALA 0.8677 0.0067 120 LEU 0.7931 0.0103 122 LYS 0.8865 0.0075 123 GLY 0.8831 0.0077 124 THR 0.8600 0.0085 125 LEU 0.8776 0.0082 126 THR 0.8561 0.0091 127 LEU 0.7785 0.0097 128 LYS 0.7885 0.0069 stop_ save_ save_heteronuclear_NOE_set_500_2 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_two _Spectrometer_frequency_1H 500 _Mol_system_component_name azurin _Atom_one_atom_name N _Atom_two_atom_name H _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 GLU 0.1361 0.0108 4 SER 0.7075 0.0091 5 VAL 0.7181 0.0038 6 ASP 0.6923 0.0117 8 GLN 0.7150 0.0089 9 GLY 0.7269 0.0228 10 ASN 0.7245 0.0094 11 ASP 0.7030 0.0133 12 GLN 0.7126 0.0048 13 MET 0.6959 0.0032 14 GLN 0.7136 0.0050 15 PHE 0.6857 0.0081 16 ASN 0.7094 0.0051 17 THR 0.6752 0.0062 18 ASN 0.6781 0.0140 19 ALA 0.7337 0.0102 20 ILE 0.7035 0.0048 21 THR 0.7243 0.0135 22 VAL 0.6946 0.0047 23 ASP 0.7063 0.0070 24 LYS 0.7365 0.0133 25 SER 0.6757 0.0034 26 CYS 0.7322 0.0059 27 LYS 0.7084 0.0048 28 GLN 0.6928 0.0059 29 PHE 0.7144 0.0042 30 THR 0.7408 0.0048 31 VAL 0.7219 0.0056 32 ASN 0.7125 0.0044 33 LEU 0.7183 0.0046 34 SER 0.7265 0.0237 35 HIS 0.7066 0.0137 37 GLY 0.7311 0.0061 39 LEU 0.5825 0.0047 41 LYS 0.7008 0.0035 42 ASN 0.7200 0.0151 43 VAL 0.7057 0.0073 44 MET 0.7141 0.0062 45 GLY 0.7464 0.0111 46 HIS 0.7143 0.0145 47 ASN 0.7301 0.0064 48 TRP 0.7077 0.0135 49 VAL 0.7309 0.0055 50 LEU 0.7266 0.0156 51 SER 0.7321 0.0062 52 THR 0.7152 0.0079 53 ALA 0.7099 0.0040 54 ALA 0.7532 0.0033 55 ASP 0.7207 0.0040 56 MET 0.7398 0.0105 57 GLN 0.7221 0.0039 58 GLY 0.7376 0.0039 61 THR 0.7195 0.0059 62 ASP 0.7366 0.0057 63 GLY 0.7433 0.0045 64 MET 0.7281 0.0136 65 ALA 0.7473 0.0079 66 SER 0.6906 0.0120 67 GLY 0.6917 0.0083 69 ASP 0.7297 0.0033 70 LYS 0.7045 0.0089 71 ASP 0.7342 0.0082 72 TYR 0.7392 0.0049 73 LEU 0.7378 0.0043 74 LYS 0.7008 0.0072 76 ASP 0.7200 0.0099 77 ASP 0.6874 0.0063 78 SER 0.6613 0.0147 79 ARG 0.7489 0.0141 80 VAL 0.7217 0.0118 81 ILE 0.7108 0.0136 82 ALA 0.7263 0.0042 83 HIS 0.7032 0.0036 84 THR 0.7109 0.0052 85 LYS 0.7107 0.0242 86 LEU 0.7007 0.0131 87 ILE 0.7234 0.0213 88 GLY 0.7070 0.0281 89 SER 0.7179 0.0038 90 GLY 0.6975 0.0052 91 GLU 0.7128 0.0046 92 LYS 0.7006 0.0047 93 ASP 0.7148 0.0076 94 SER 0.6873 0.0035 95 VAL 0.7403 0.0088 96 THR 0.7067 0.0157 97 PHE 0.7153 0.0096 98 ASP 0.7071 0.0070 99 VAL 0.7241 0.0040 100 SER 0.6821 0.0030 101 LYS 0.6920 0.0035 102 LEU 0.7175 0.0040 104 GLU 0.6160 0.0075 105 GLY 0.5718 0.0049 106 GLU 0.6223 0.0038 108 TYR 0.7380 0.0109 109 MET 0.7028 0.0068 110 PHE 0.7163 0.0048 111 PHE 0.7394 0.0044 112 CYS 0.7217 0.0064 113 THR 0.7218 0.0056 114 PHE 0.7218 0.0179 116 GLY 0.7096 0.0051 117 HIS 0.7154 0.0038 118 SER 0.7199 0.0156 119 ALA 0.7286 0.0034 120 LEU 0.7224 0.0151 121 MET 0.7164 0.0213 122 LYS 0.6955 0.0098 123 GLY 0.7254 0.0083 124 THR 0.7184 0.0154 125 LEU 0.7093 0.0055 127 LEU 0.6405 0.0042 128 LYS 0.5913 0.0062 stop_ save_ save_heteronuclear_NOE_set_600_2 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_two _Spectrometer_frequency_1H 600 _Mol_system_component_name azurin _Atom_one_atom_name N _Atom_two_atom_name H _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 GLU 0.1516 0.0063 4 SER 0.7496 0.0031 5 VAL 0.7549 0.0028 6 ASP 0.7371 0.0108 8 GLN 0.7699 0.0099 9 GLY 0.7508 0.0146 10 ASN 0.7736 0.0039 11 ASP 0.7613 0.0137 12 GLN 0.7638 0.0034 13 MET 0.7560 0.0023 14 GLN 0.7650 0.0035 15 PHE 0.7304 0.0070 16 ASN 0.7399 0.0029 17 THR 0.6896 0.0026 18 ASN 0.7280 0.0037 19 ALA 0.7791 0.0052 20 ILE 0.7576 0.0039 21 THR 0.7701 0.0086 22 VAL 0.7399 0.0143 23 ASP 0.7136 0.0102 24 LYS 0.7864 0.0026 25 SER 0.7373 0.0058 26 CYS 0.7521 0.0025 27 LYS 0.7519 0.0032 28 GLN 0.7169 0.0030 29 PHE 0.7603 0.0038 30 THR 0.7677 0.0034 31 VAL 0.7720 0.0095 32 ASN 0.7749 0.0064 33 LEU 0.7426 0.0056 34 SER 0.7611 0.0087 35 HIS 0.7485 0.0050 37 GLY 0.7741 0.0080 39 LEU 0.6431 0.0063 41 LYS 0.7756 0.0066 42 ASN 0.7429 0.0034 43 VAL 0.7313 0.0149 44 MET 0.7308 0.0061 45 GLY 0.7733 0.0092 46 HIS 0.7450 0.0051 47 ASN 0.7742 0.0066 48 TRP 0.7451 0.0044 49 VAL 0.7570 0.0041 50 LEU 0.7566 0.0080 51 SER 0.7774 0.0034 52 THR 0.7482 0.0077 53 ALA 0.7580 0.0030 54 ALA 0.7989 0.0025 55 ASP 0.7791 0.0038 56 MET 0.7972 0.0047 57 GLN 0.7459 0.0089 58 GLY 0.7836 0.0081 61 THR 0.7628 0.0104 62 ASP 0.7844 0.0069 63 GLY 0.7672 0.0043 64 MET 0.7480 0.0026 65 ALA 0.7696 0.0050 66 SER 0.7710 0.0026 67 GLY 0.7214 0.0030 69 ASP 0.7335 0.0081 70 LYS 0.7476 0.0074 71 ASP 0.7885 0.0030 72 TYR 0.7780 0.0029 73 LEU 0.7659 0.0029 74 LYS 0.7452 0.0071 76 ASP 0.7447 0.0144 77 ASP 0.7706 0.0019 78 SER 0.6870 0.0026 79 ARG 0.7849 0.0045 80 VAL 0.7751 0.0105 81 ILE 0.7593 0.0039 82 ALA 0.7476 0.0046 83 HIS 0.7455 0.0036 84 THR 0.7477 0.0041 85 LYS 0.7848 0.0107 86 LEU 0.7813 0.0034 87 ILE 0.7498 0.0054 88 GLY 0.7366 0.0073 89 SER 0.7464 0.0068 90 GLY 0.7433 0.0115 91 GLU 0.7486 0.0036 92 LYS 0.7149 0.0029 93 ASP 0.7654 0.0139 94 SER 0.7499 0.0040 95 VAL 0.7831 0.0050 96 THR 0.7532 0.0034 97 PHE 0.7462 0.0034 98 ASP 0.7492 0.0026 99 VAL 0.7377 0.0047 100 SER 0.7520 0.0023 101 LYS 0.6929 0.0071 102 LEU 0.7442 0.0054 104 GLU 0.6358 0.0035 105 GLY 0.6533 0.0030 106 GLU 0.6658 0.0034 108 TYR 0.7658 0.0090 109 MET 0.7404 0.0124 110 PHE 0.7622 0.0037 111 PHE 0.7704 0.0180 112 CYS 0.7782 0.0107 113 THR 0.7762 0.0175 114 PHE 0.7791 0.0175 116 GLY 0.7389 0.0062 117 HIS 0.7542 0.0109 118 SER 0.7579 0.0036 119 ALA 0.7506 0.0026 120 LEU 0.7250 0.0039 121 MET 0.7570 0.0169 122 LYS 0.7340 0.0121 123 GLY 0.7687 0.0028 124 THR 0.7410 0.0044 125 LEU 0.7430 0.0042 127 LEU 0.6758 0.0075 128 LYS 0.6581 0.0080 stop_ save_ save_heteronuclear_NOE_set_800_2 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_two _Spectrometer_frequency_1H 800 _Mol_system_component_name azurin _Atom_one_atom_name N _Atom_two_atom_name H _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 GLU 0.2154 0.0036 4 SER 0.8239 0.0058 5 VAL 0.8574 0.0058 6 ASP 0.9090 0.0050 8 GLN 0.8398 0.0033 9 GLY 0.8318 0.0084 10 ASN 0.8734 0.0061 11 ASP 0.8837 0.0087 12 GLN 0.8320 0.0031 13 MET 0.8508 0.0021 14 GLN 0.8811 0.0037 15 PHE 0.8378 0.0268 16 ASN 0.8256 0.0071 17 THR 0.8528 0.0034 18 ASN 0.8363 0.0066 19 ALA 0.7958 0.0053 20 ILE 0.8140 0.0039 21 THR 0.8381 0.0050 22 VAL 0.8581 0.0041 23 ASP 0.9157 0.0027 24 LYS 0.8722 0.0024 25 SER 0.8800 0.0028 26 CYS 0.8411 0.0021 27 LYS 0.8520 0.0030 28 GLN 0.7807 0.0043 29 PHE 0.8853 0.0030 30 THR 0.8342 0.0032 31 VAL 0.8846 0.0046 32 ASN 0.8722 0.0069 33 LEU 0.8715 0.0038 34 SER 0.8260 0.0074 35 HIS 0.8488 0.0056 37 GLY 0.8650 0.0051 39 LEU 0.7294 0.0042 41 LYS 0.7818 0.0061 42 ASN 0.8210 0.0031 43 VAL 0.8861 0.0065 44 MET 0.8616 0.0029 45 GLY 0.8807 0.0059 46 HIS 0.8589 0.0042 47 ASN 0.8595 0.0053 48 TRP 0.8629 0.0063 49 VAL 0.8628 0.0079 50 LEU 0.8373 0.0037 51 SER 0.8927 0.0061 52 THR 0.8825 0.0129 53 ALA 0.9087 0.0058 54 ALA 0.7802 0.0036 55 ASP 0.8431 0.0028 56 MET 0.8383 0.0051 57 GLN 0.7778 0.0022 58 GLY 0.9175 0.0068 61 THR 0.8400 0.0064 62 ASP 0.8510 0.0026 63 GLY 0.8806 0.0048 64 MET 0.8966 0.0024 65 ALA 0.8261 0.0046 66 SER 0.8923 0.0040 67 GLY 0.7974 0.0066 69 ASP 0.8100 0.0049 70 LYS 0.8740 0.0130 71 ASP 0.8478 0.0026 72 TYR 0.8860 0.0030 73 LEU 0.8347 0.0111 74 LYS 0.8646 0.0042 76 ASP 0.7985 0.0146 77 ASP 0.7701 0.0068 78 SER 0.7306 0.0025 79 ARG 0.8809 0.0029 80 VAL 0.8593 0.0026 81 ILE 0.8865 0.0042 82 ALA 0.8809 0.0062 83 HIS 0.8178 0.0028 84 THR 0.8341 0.0131 85 LYS 0.8243 0.0043 86 LEU 0.8219 0.0084 87 ILE 0.8570 0.0086 88 GLY 0.8694 0.0208 89 SER 0.8477 0.0033 90 GLY 0.8603 0.0062 91 GLU 0.8262 0.0035 92 LYS 0.8490 0.0134 93 ASP 0.7983 0.0035 94 SER 0.8164 0.0034 95 VAL 0.8840 0.0042 96 THR 0.9125 0.0031 97 PHE 0.8378 0.0031 98 ASP 0.7951 0.0025 99 VAL 0.8816 0.0027 100 SER 0.8363 0.0050 101 LYS 0.8309 0.0037 102 LEU 0.8645 0.0033 104 GLU 0.7720 0.0068 105 GLY 0.7806 0.0031 106 GLU 0.8033 0.0069 108 TYR 0.8490 0.0058 109 MET 0.8311 0.0038 110 PHE 0.8649 0.0033 111 PHE 0.8810 0.0086 112 CYS 0.8539 0.0118 113 THR 0.8444 0.0046 114 PHE 0.8652 0.0066 116 GLY 0.8076 0.0187 117 HIS 0.8662 0.0053 118 SER 0.8212 0.0037 119 ALA 0.9050 0.0045 120 LEU 0.8469 0.0126 121 MET 0.7967 0.0047 122 LYS 0.8493 0.0056 123 GLY 0.8251 0.0041 124 THR 0.8644 0.0099 125 LEU 0.8840 0.0092 127 LEU 0.8455 0.0036 128 LYS 0.6890 0.0027 stop_ save_ save_S2_parameters_1 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_one _Mol_system_component_name azurin _Tau_e_value_units . _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 2 GLU N . 0.3941 . . . . . . . . . . . . . 3 CYS N . 0.7177 . . . . . . . . . . . . . 5 VAL N . 0.8994 . . . . . . . . . . . . . 6 ASP N . 0.8279 . . . . . . . . . . . . . 7 ILE N . 0.8554 . . . . . . . . . . . . . 9 GLY N . 0.8486 . . . . . . . . . . . . . 10 ASN N . 0.8715 . . . . . . . . . . . . . 11 ASP N . 0.8082 . . . . . . . . . . . . . 12 GLN N . 0.8791 . . . . . . . . . . . . . 14 GLN N . 0.8319 . . . . . . . . . . . . . 15 PHE N . 0.8579 . . . . . . . . . . . . . 16 ASN N . 0.8625 . . . . . . . . . . . . . 17 THR N . 0.7536 . . . . . . . . . . . . . 18 ASN N . 0.7995 . . . . . . . . . . . . . 21 THR N . 0.8255 . . . . . . . . . . . . . 22 VAL N . 0.8458 . . . . . . . . . . . . . 23 ASP N . 0.8420 . . . . . . . . . . . . . 24 LYS N . 0.7936 . . . . . . . . . . . . . 25 SER N . 0.8231 . . . . . . . . . . . . . 26 CYS N . 0.9018 . . . . . . . . . . . . . 27 LYS N . 0.8177 . . . . . . . . . . . . . 28 GLN N . 0.8234 . . . . . . . . . . . . . 29 PHE N . 0.8592 . . . . . . . . . . . . . 30 THR N . 0.8266 . . . . . . . . . . . . . 31 VAL N . 0.8576 . . . . . . . . . . . . . 32 ASN N . 0.8562 . . . . . . . . . . . . . 33 LEU N . 0.8640 . . . . . . . . . . . . . 34 SER N . 0.9151 . . . . . . . . . . . . . 35 HIS N . 0.8269 . . . . . . . . . . . . . 37 GLY N . 0.8266 . . . . . . . . . . . . . 39 LEU N . 0.8560 . . . . . . . . . . . . . 41 LYS N . 0.8737 . . . . . . . . . . . . . 42 ASN N . 0.7678 . . . . . . . . . . . . . 43 VAL N . 0.8387 . . . . . . . . . . . . . 44 MET N . 0.8879 . . . . . . . . . . . . . 45 GLY N . 0.8052 . . . . . . . . . . . . . 46 HIS N . 0.8623 . . . . . . . . . . . . . 47 ASN N . 0.8525 . . . . . . . . . . . . . 48 TRP N . 0.8344 . . . . . . . . . . . . . 49 VAL N . 0.8767 . . . . . . . . . . . . . 50 LEU N . 0.8924 . . . . . . . . . . . . . 51 SER N . 0.9297 . . . . . . . . . . . . . 52 THR N . 0.8915 . . . . . . . . . . . . . 53 ALA N . 0.9042 . . . . . . . . . . . . . 54 ALA N . 0.8818 . . . . . . . . . . . . . 55 ASP N . 0.8448 . . . . . . . . . . . . . 56 MET N . 0.8950 . . . . . . . . . . . . . 57 GLN N . 0.8855 . . . . . . . . . . . . . 58 GLY N . 0.9208 . . . . . . . . . . . . . 59 VAL N . 0.9344 . . . . . . . . . . . . . 60 VAL N . 0.9055 . . . . . . . . . . . . . 61 THR N . 0.8993 . . . . . . . . . . . . . 62 ASP N . 0.9304 . . . . . . . . . . . . . 63 GLY N . 0.9346 . . . . . . . . . . . . . 64 MET N . 0.9074 . . . . . . . . . . . . . 65 ALA N . 0.8917 . . . . . . . . . . . . . 66 SER N . 0.8208 . . . . . . . . . . . . . 67 GLY N . 0.8278 . . . . . . . . . . . . . 68 LEU N . 0.8925 . . . . . . . . . . . . . 69 ASP N . 0.8311 . . . . . . . . . . . . . 70 LYS N . 0.8457 . . . . . . . . . . . . . 71 ASP N . 0.9205 . . . . . . . . . . . . . 72 TYR N . 0.9227 . . . . . . . . . . . . . 73 LEU N . 0.8891 . . . . . . . . . . . . . 74 LYS N . 0.8692 . . . . . . . . . . . . . 76 ASP N . 0.7792 . . . . . . . . . . . . . 77 ASP N . 0.6854 . . . . . . . . . . . . . 78 SER N . 0.8158 . . . . . . . . . . . . . 79 ARG N . 0.9286 . . . . . . . . . . . . . 80 VAL N . 0.8658 . . . . . . . . . . . . . 81 ILE N . 0.8965 . . . . . . . . . . . . . 82 ALA N . 0.8877 . . . . . . . . . . . . . 83 HIS N . 0.8562 . . . . . . . . . . . . . 84 THR N . 0.8940 . . . . . . . . . . . . . 85 LYS N . 0.9074 . . . . . . . . . . . . . 86 LEU N . 0.8965 . . . . . . . . . . . . . 87 ILE N . 0.9027 . . . . . . . . . . . . . 88 GLY N . 0.8642 . . . . . . . . . . . . . 89 SER N . 0.8904 . . . . . . . . . . . . . 90 GLY N . 0.8587 . . . . . . . . . . . . . 91 GLU N . 0.8633 . . . . . . . . . . . . . 92 LYS N . 0.8463 . . . . . . . . . . . . . 93 ASP N . 0.8564 . . . . . . . . . . . . . 94 SER N . 0.7884 . . . . . . . . . . . . . 95 VAL N . 0.9092 . . . . . . . . . . . . . 96 THR N . 0.8319 . . . . . . . . . . . . . 97 PHE N . 0.9008 . . . . . . . . . . . . . 98 ASP N . 0.8224 . . . . . . . . . . . . . 99 VAL N . 0.8004 . . . . . . . . . . . . . 100 SER N . 0.8159 . . . . . . . . . . . . . 101 LYS N . 0.9242 . . . . . . . . . . . . . 102 LEU N . 0.8533 . . . . . . . . . . . . . 103 LYS N . 0.8263 . . . . . . . . . . . . . 104 GLU N . 0.7652 . . . . . . . . . . . . . 105 GLY N . 0.7380 . . . . . . . . . . . . . 106 GLU N . 0.7207 . . . . . . . . . . . . . 107 GLN N . 0.7184 . . . . . . . . . . . . . 108 TYR N . 0.7742 . . . . . . . . . . . . . 109 MET N . 0.8707 . . . . . . . . . . . . . 110 PHE N . 0.9058 . . . . . . . . . . . . . 111 PHE N . 0.9073 . . . . . . . . . . . . . 112 CYS N . 0.8896 . . . . . . . . . . . . . 113 THR N . 0.8713 . . . . . . . . . . . . . 114 PHE N . 0.8866 . . . . . . . . . . . . . 116 GLY N . 0.8240 . . . . . . . . . . . . . 117 HIS N . 0.8361 . . . . . . . . . . . . . 118 SER N . 0.8722 . . . . . . . . . . . . . 119 ALA N . 0.8113 . . . . . . . . . . . . . 120 LEU N . 0.8072 . . . . . . . . . . . . . 122 LYS N . 0.8530 . . . . . . . . . . . . . 123 GLY N . 0.8822 . . . . . . . . . . . . . 124 THR N . 0.8578 . . . . . . . . . . . . . 125 LEU N . 0.8713 . . . . . . . . . . . . . 126 THR N . 0.8773 . . . . . . . . . . . . . 127 LEU N . 0.7976 . . . . . . . . . . . . . 128 LYS N . 0.7655 . . . . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_S2_parameters_2 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_two _Mol_system_component_name azurin _Tau_e_value_units . _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 2 GLU N . 0.3692 . . . . . . . . . . . . . 4 SER N . 0.8487 . . . . . . . . . . . . . 5 VAL N . 0.8528 . . . . . . . . . . . . . 6 ASP N . 0.7993 . . . . . . . . . . . . . 8 GLN N . 0.8254 . . . . . . . . . . . . . 9 GLY N . 0.8218 . . . . . . . . . . . . . 10 ASN N . 0.8303 . . . . . . . . . . . . . 11 ASP N . 0.8002 . . . . . . . . . . . . . 12 GLN N . 0.8389 . . . . . . . . . . . . . 13 MET N . 0.8422 . . . . . . . . . . . . . 14 GLN N . 0.7982 . . . . . . . . . . . . . 15 PHE N . 0.8106 . . . . . . . . . . . . . 16 ASN N . 0.8252 . . . . . . . . . . . . . 17 THR N . 0.6858 . . . . . . . . . . . . . 18 ASN N . 0.7534 . . . . . . . . . . . . . 19 ALA N . 0.8312 . . . . . . . . . . . . . 20 ILE N . 0.7900 . . . . . . . . . . . . . 21 THR N . 0.7954 . . . . . . . . . . . . . 22 VAL N . 0.7972 . . . . . . . . . . . . . 23 ASP N . 0.8021 . . . . . . . . . . . . . 24 LYS N . 0.7659 . . . . . . . . . . . . . 25 SER N . 0.7239 . . . . . . . . . . . . . 26 CYS N . 0.8520 . . . . . . . . . . . . . 27 LYS N . 0.7842 . . . . . . . . . . . . . 28 GLN N . 0.7804 . . . . . . . . . . . . . 29 PHE N . 0.8301 . . . . . . . . . . . . . 30 THR N . 0.8173 . . . . . . . . . . . . . 31 VAL N . 0.8308 . . . . . . . . . . . . . 32 ASN N . 0.8412 . . . . . . . . . . . . . 33 LEU N . 0.8261 . . . . . . . . . . . . . 34 SER N . 0.8766 . . . . . . . . . . . . . 35 HIS N . 0.7811 . . . . . . . . . . . . . 37 GLY N . 0.7948 . . . . . . . . . . . . . 39 LEU N . 0.7466 . . . . . . . . . . . . . 41 LYS N . 0.8225 . . . . . . . . . . . . . 42 ASN N . 0.6771 . . . . . . . . . . . . . 43 VAL N . 0.7753 . . . . . . . . . . . . . 44 MET N . 0.8325 . . . . . . . . . . . . . 45 GLY N . 0.7359 . . . . . . . . . . . . . 46 HIS N . 0.8375 . . . . . . . . . . . . . 47 ASN N . 0.8334 . . . . . . . . . . . . . 48 TRP N . 0.8203 . . . . . . . . . . . . . 49 VAL N . 0.8607 . . . . . . . . . . . . . 50 LEU N . 0.8609 . . . . . . . . . . . . . 51 SER N . 0.8928 . . . . . . . . . . . . . 52 THR N . 0.8553 . . . . . . . . . . . . . 53 ALA N . 0.8649 . . . . . . . . . . . . . 54 ALA N . 0.8348 . . . . . . . . . . . . . 55 ASP N . 0.8238 . . . . . . . . . . . . . 56 MET N . 0.8538 . . . . . . . . . . . . . 57 GLN N . 0.8403 . . . . . . . . . . . . . 58 GLY N . 0.8576 . . . . . . . . . . . . . 61 THR N . 0.8518 . . . . . . . . . . . . . 62 ASP N . 0.8790 . . . . . . . . . . . . . 63 GLY N . 0.8939 . . . . . . . . . . . . . 64 MET N . 0.8591 . . . . . . . . . . . . . 65 ALA N . 0.8254 . . . . . . . . . . . . . 66 SER N . 0.7876 . . . . . . . . . . . . . 67 GLY N . 0.7667 . . . . . . . . . . . . . 69 ASP N . 0.7525 . . . . . . . . . . . . . 70 LYS N . 0.8157 . . . . . . . . . . . . . 71 ASP N . 0.8686 . . . . . . . . . . . . . 72 TYR N . 0.8883 . . . . . . . . . . . . . 73 LEU N . 0.8570 . . . . . . . . . . . . . 74 LYS N . 0.8316 . . . . . . . . . . . . . 76 ASP N . 0.7478 . . . . . . . . . . . . . 77 ASP N . 0.6304 . . . . . . . . . . . . . 78 SER N . 0.7700 . . . . . . . . . . . . . 79 ARG N . 0.8773 . . . . . . . . . . . . . 80 VAL N . 0.8350 . . . . . . . . . . . . . 81 ILE N . 0.8596 . . . . . . . . . . . . . 82 ALA N . 0.8400 . . . . . . . . . . . . . 83 HIS N . 0.8317 . . . . . . . . . . . . . 84 THR N . 0.8594 . . . . . . . . . . . . . 85 LYS N . 0.8703 . . . . . . . . . . . . . 86 LEU N . 0.8521 . . . . . . . . . . . . . 87 ILE N . 0.8652 . . . . . . . . . . . . . 88 GLY N . 0.8271 . . . . . . . . . . . . . 89 SER N . 0.7319 . . . . . . . . . . . . . 90 GLY N . 0.8104 . . . . . . . . . . . . . 91 GLU N . 0.8196 . . . . . . . . . . . . . 92 LYS N . 0.8069 . . . . . . . . . . . . . 93 ASP N . 0.8296 . . . . . . . . . . . . . 94 SER N . 0.7517 . . . . . . . . . . . . . 95 VAL N . 0.8624 . . . . . . . . . . . . . 96 THR N . 0.8075 . . . . . . . . . . . . . 97 PHE N . 0.8627 . . . . . . . . . . . . . 98 ASP N . 0.7884 . . . . . . . . . . . . . 99 VAL N . 0.8049 . . . . . . . . . . . . . 100 SER N . 0.7615 . . . . . . . . . . . . . 101 LYS N . 0.8406 . . . . . . . . . . . . . 102 LEU N . 0.7922 . . . . . . . . . . . . . 104 GLU N . 0.7107 . . . . . . . . . . . . . 105 GLY N . 0.6272 . . . . . . . . . . . . . 106 GLU N . 0.6128 . . . . . . . . . . . . . 108 TYR N . 0.7871 . . . . . . . . . . . . . 109 MET N . 0.8291 . . . . . . . . . . . . . 110 PHE N . 0.8698 . . . . . . . . . . . . . 111 PHE N . 0.8804 . . . . . . . . . . . . . 112 CYS N . 0.8578 . . . . . . . . . . . . . 113 THR N . 0.8439 . . . . . . . . . . . . . 114 PHE N . 0.8836 . . . . . . . . . . . . . 116 GLY N . 0.7929 . . . . . . . . . . . . . 117 HIS N . 0.7945 . . . . . . . . . . . . . 118 SER N . 0.8485 . . . . . . . . . . . . . 119 ALA N . 0.7361 . . . . . . . . . . . . . 120 LEU N . 0.7828 . . . . . . . . . . . . . 121 MET N . 0.7661 . . . . . . . . . . . . . 122 LYS N . 0.8159 . . . . . . . . . . . . . 123 GLY N . 0.8445 . . . . . . . . . . . . . 124 THR N . 0.8250 . . . . . . . . . . . . . 125 LEU N . 0.8469 . . . . . . . . . . . . . 127 LEU N . 0.6971 . . . . . . . . . . . . . 128 LYS N . 0.6975 . . . . . . . . . . . . . stop_ _Tau_s_value_units . save_