data_4124 #Corrected using PDB structure: 3PDZA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 38 K N 134.76 122.53 # 47 E N 124.16 113.97 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #N/A N/A N/A N/A -0.64 -0.22 # #bmr4124.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4124.str file): #HA CA CB CO N HN #N/A N/A N/A N/A -0.64 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN # N/A N/A N/A N/A +/-0.51 +/-0.09 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #N/A N/A N/A N/A 0.768 0.479 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #N/A N/A N/A N/A 2.353 0.437 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Main-chain Signal Assignment for the PDZ2 Domain from Human Protein Tyrosine Phosphatase hPTP1E and its Complex with a C-terminal Peptide from the Fas Receptor ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ekiel Irena . . 2 Banville Denis . . 3 Shen 'Shi Hsiang' . . 4 Slon-Usakiewicz Jacek J . 5 Koshy Alex . . 6 Gehring Kalle . . stop_ _BMRB_accession_number 4124 _BMRB_flat_file_name bmr4124.str _Entry_type new _Submission_date 1998-03-17 _Accession_date 1998-03-17 _Entry_origination author _NMR_STAR_version 2.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 88 '15N chemical shifts' 88 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Ekiel, I., Banville, D., Shen, S. H., Slon-Usakiewicz, J. J., Koshy, A., Gehring, K., "Main-chain Signal Assignment for the PDZ2 Domain from Human Protein Tyrosine Phosphatase hPTP1E and its Complex with a C-terminal Peptide from the Fas Receptor," J. Biomol. NMR 12, 455-456 (1998). ; _Citation_title ; Main-chain Signal Assignment for the PDZ2Domain from Human Protein Tyrosine Phosphatase hPTP1E and its Complex with a C-terminal Peptide from the Fas Receptor ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 99052117 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ekiel Irena . . 2 Banville Denis . . 3 Shen 'Shi Hsiang' . . 4 Slon-Usakiewicz Jacek J . 5 Koshy Alex . . 6 Gehring Kalle . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 12 _Journal_issue . _Page_first 455 _Page_last 456 _Year 1998 loop_ _Keyword PDZ hPTP1E PTPbas PTPL1Fas stop_ save_ ################################## # Molecular system description # ################################## save_system_PDZ2_Fas_complex _Saveframe_category molecular_system _Mol_system_name 'hPTP1E-Fas receptor complex' _Abbreviation_common PDZ2 loop_ _Mol_system_component_name _Mol_label PDZ2 $PDZ2 Fas_Cterm15 $Fas_Cterm15 stop_ _System_molecular_weight 11758 _System_physical_state native _System_oligomer_state hetero-dimer _System_paramagnetic no loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 3PDZ "A Chain A, Solution Structure Of The Pdz2 Domain From Human Phosphatase Hptp1e" . stop_ save_ ######################## # Monomeric polymers # ######################## save_PDZ2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'second PDZ domain from hPTP1E' _Abbreviation_common PDZ2 _Molecular_mass 10006 ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; PKPGDIFEVELAKNDNSLGI SVTGGVNTSVRHGGIYVKAV IPQGAAESDGRIHKGDRVLA VNGVSLEGATHKQAVETLRN TGQVVHLLLEKGQSPT ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 LYS 3 PRO 4 GLY 5 ASP 6 ILE 7 PHE 8 GLU 9 VAL 10 GLU 11 LEU 12 ALA 13 LYS 14 ASN 15 ASP 16 ASN 17 SER 18 LEU 19 GLY 20 ILE 21 SER 22 VAL 23 THR 24 GLY 25 GLY 26 VAL 27 ASN 28 THR 29 SER 30 VAL 31 ARG 32 HIS 33 GLY 34 GLY 35 ILE 36 TYR 37 VAL 38 LYS 39 ALA 40 VAL 41 ILE 42 PRO 43 GLN 44 GLY 45 ALA 46 ALA 47 GLU 48 SER 49 ASP 50 GLY 51 ARG 52 ILE 53 HIS 54 LYS 55 GLY 56 ASP 57 ARG 58 VAL 59 LEU 60 ALA 61 VAL 62 ASN 63 GLY 64 VAL 65 SER 66 LEU 67 GLU 68 GLY 69 ALA 70 THR 71 HIS 72 LYS 73 GLN 74 ALA 75 VAL 76 GLU 77 THR 78 LEU 79 ARG 80 ASN 81 THR 82 GLY 83 GLN 84 VAL 85 VAL 86 HIS 87 LEU 88 LEU 89 LEU 90 GLU 91 LYS 92 GLY 93 GLN 94 SER 95 PRO 96 THR stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-04-29 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 PDB 1D5G "A Chain A, Solution Structure Of The Pdz2Domain From Human Phosphatase Hptp1e Complexed With APeptide" 100.00 96 100 100 10e-48 PDB 3PDZ "A Chain A, Solution Structure Of The Pdz2Domain From Human Phosphatase Hptp1e" 100.00 96 100 100 10e-48 DBJ BAA04752.1 "protein tyrosine phosphatase type 3 [Homosapiens]" 4.18 2294 100 100 2e-48 DBJ BAA04751.1 "protein tyrosine phosphatase type 2 [Homosapiens]" 3.89 2466 100 100 2e-48 DBJ BAA04750.1 "protein tyrosine phosphatase type 1 [Homosapiens]" 3.86 2485 100 100 2e-48 EMBL CAA56124.1 "tyrosine phosphatase [Homo sapiens]" 7.58 1267 98 99 3e-47 EMBL CAA56563.1 "protein-tyrosine-phosphatase [Homo sapiens]" 3.89 2466 100 100 2e-48 GenBank AAF63474.1 "Fas-associated phosphatase-1 [Homosapiens]" 19.24 499 100 100 2e-48 GenBank AAH39610.1 "Similar to protein tyrosine phosphatase,non-receptor type 13 (APO-1/CD95 (Fas)-associatedphosphatase) [Homo sapiens]" 15.89 604 100 100 2e-48 GenBank AAA73516.1 BA14 3.86 2484 99 100 2e-47 PIR I67630 "protein-tyrosine-phosphatase (EC 3.1.3.48)PTPN13, nonreceptor type 13, splice form 3 - human" 4.18 2294 100 100 2e-48 PIR I67629 "protein-tyrosine-phosphatase (EC 3.1.3.48)PTPN13, nonreceptor type 13, splice form 2 - human" 3.89 2466 100 100 2e-48 REF NP_542415.1 "protein tyrosine phosphatase,non-receptor type 13 isoform 3; protein tyrosinephosphatase, nonreceptor type 13; protein-tyrosinephosphatase PTPL1; protein tyrosine phosphatase 1E;Fas-associated phosphatase-1; protein-tyrosinephosphatase 1, Fas-associated; APO-1/CD95(Fas)-associated phosphatase [Homo sapiens]" 4.18 2294 100 100 2e-48 REF NP_006255.1 "protein tyrosine phosphatase,non-receptor type 13 isoform 2; protein tyrosinephosphatase, nonreceptor type 13; protein-tyrosinephosphatase PTPL1; protein tyrosine phosphatase 1E;Fas-associated phosphatase-1; protein-tyrosinephosphatase 1, Fas-associated; APO-1/CD95(Fas)-associated phosphatase [Homo sapiens]" 3.89 2466 100 100 2e-48 REF NP_777015.1 "protein tyrosine phosphatase,non-receptor type 13 [APO-1/CD95 (Fas)-associatedphosphatase] [Bos taurus]" 3.86 2484 99 100 2e-47 REF NP_542414.1 "protein tyrosine phosphatase,non-receptor type 13 isoform 1; protein tyrosinephosphatase, nonreceptor type 13; protein-tyrosinephosphatase PTPL1; protein tyrosine phosphatase 1E;Fas-associated phosphatase-1; protein-tyrosinephosphatase 1, Fas-associated; APO-1/CD95(Fas)-associated phosphatase [Homo sapiens]" 3.86 2485 100 100 2e-48 SWISS-PROT Q12923 "PTND_HUMAN Protein tyrosine phosphatase,non-receptor type 13 (Protein-tyrosine phosphatase 1E)(PTP-E1) (hPTPE1) (PTP-BAS) (Protein-tyrosine phosphatasePTPL1) (Fas-associated protein-tyrosine phosphatase 1)(FAP-1)" 3.86 2485 100 100 2e-48 stop_ save_ save_Fas_Cterm15 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'C-terminal peptide from the Fas receptor' _Abbreviation_common Fas_Cterm15 _Molecular_mass 1752 _Residue_count 15 _Mol_residue_sequence ; DSENSNFRNEIQSLV ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 SER 3 GLU 4 ASN 5 SER 6 ASN 7 PHE 8 ARG 9 ASN 10 GLU 11 ILE 12 GLN 13 SER 14 LEU 15 VAL stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-16 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 PDB 1DDF "Fas Death Domain, Nmr, Minimized AverageStructure" 11.81 127 100 100 1.7 EMBL CAD48931.1 "CD95 antigen [Homo sapiens]" 13.76 109 100 100 1.7 EMBL CAD48932.1 "CD95 antigen [Homo sapiens]" 13.76 109 100 100 1.7 EMBL CAA88031.1 "FAS soluble protein [Homo sapiens]" 4.78 314 100 100 1.7 EMBL CAA45250.1 "APO-1 cell surface antigen precursor [Homosapiens]" 4.48 335 100 100 1.7 EMBL CAG29303.1 "TNFRSF6 [Homo sapiens]" 4.48 335 100 100 1.7 GenBank AAA63174.1 "Fas antigen" 4.48 335 100 100 1.7 GenBank AAH12479.1 "Tumor necrosis factor receptorsuperfamily, member 6, isoform 1 precursor [Homosapiens]" 4.48 335 100 100 1.7 GenBank AAR08906.1 "tumor necrosis factor receptorsuperfamily, member 6 [Homo sapiens]" 4.48 335 100 100 1.7 PIR I37383 "FAS soluble protein - human" 4.78 314 100 100 1.7 PIR A40036 "apoptosis-mediating surface antigen Fasprecursor - human" 4.48 335 100 100 1.7 REF NP_690610.1 "tumor necrosis factor receptorsuperfamily, member 6 isoform 2 precursor; apoptosisantigen 1; Fas antigen; APO-1 cell surface antigen [Homosapiens]" 4.78 314 100 100 1.7 REF NP_000034.1 "tumor necrosis factor receptorsuperfamily, member 6 isoform 1 precursor; apoptosisantigen 1; Fas antigen; APO-1 cell surface antigen [Homosapiens]" 4.48 335 100 100 1.7 SWISS-PROT P25445 "TNR6_HUMAN Tumor necrosis factor receptorsuperfamily member 6 precursor (FASL receptor)(Apoptosis-mediating surface antigen FAS) (Apo-1antigen) (CD95)" 4.48 335 100 100 1.7 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PDZ2 Human 9606 Eukaryota Metazoa Homo sapiens $Fas_Cterm15 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species $PDZ2 'recombinant technology' 'E. coli' Escherichia coli stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $system_PDZ2_Fas_complex 3 mM '[U-15N; U-13C]' 'sodium phosphate buffer' 50 mM . 'sodium chloride' 150 mM . H2O 90 % . D2O 10 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX500 _Field_strength 500 save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 0.1 n/a temperature 293 1 K pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . DSS C 13 'methyl protons' ppm 0.0 . indirect 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_one _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name PDZ2 loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 LYS H H 9.07 0.01 1 3 4 GLY H H 8.99 0.01 1 4 4 GLY N N 112.86 0.1 1 5 5 ASP H H 8.38 0.01 1 6 5 ASP N N 121.36 0.1 1 7 6 ILE H H 8.34 0.01 1 8 6 ILE N N 121.06 0.1 1 9 7 PHE H H 9.46 0.01 1 10 7 PHE N N 125.76 0.1 1 11 8 GLU H H 8.52 0.01 1 12 8 GLU N N 118.66 0.1 1 13 9 VAL H H 8.52 0.01 1 14 9 VAL N N 115.56 0.1 1 15 10 GLU H H 7.68 0.01 1 16 10 GLU N N 125.76 0.1 1 17 11 LEU H H 8.78 0.01 1 18 11 LEU N N 125.46 0.1 1 19 12 ALA H H 8.45 0.01 1 20 12 ALA N N 125.76 0.1 1 21 13 LYS H H 8.56 0.01 1 22 13 LYS N N 119.56 0.1 1 23 14 ASN H H 8.05 0.01 1 24 14 ASN N N 116.66 0.1 1 25 15 ASP H H 9.30 0.01 1 26 15 ASP N N 126.36 0.1 1 27 16 ASN H H 9.04 0.01 1 28 16 ASN N N 109.46 0.1 1 29 17 SER H H 7.85 0.01 1 31 19 GLY H H 9.24 0.01 1 32 19 GLY N N 107.26 0.1 1 33 20 ILE H H 7.89 0.01 1 34 20 ILE N N 116.46 0.1 1 35 21 SER H H 8.65 0.01 1 36 21 SER N N 117.26 0.1 1 37 22 VAL H H 9.28 0.01 1 38 22 VAL N N 117.96 0.1 1 39 23 THR H H 9.18 0.01 1 40 23 THR N N 114.76 0.1 1 41 24 GLY H H 8.84 0.01 1 43 26 VAL H H 8.46 0.01 1 44 26 VAL N N 116.36 0.1 1 45 27 ASN H H 9.09 0.01 1 46 27 ASN N N 115.76 0.1 1 47 28 THR H H 7.65 0.01 1 48 28 THR N N 110.76 0.1 1 49 29 SER H H 8.61 0.01 1 50 29 SER N N 112.96 0.1 1 51 30 VAL H H 7.51 0.01 1 52 30 VAL N N 117.56 0.1 1 53 31 ARG H H 8.60 0.01 1 55 33 GLY H H 8.50 0.01 1 56 33 GLY N N 108.26 0.1 1 57 34 GLY H H 7.64 0.01 1 58 34 GLY N N 103.96 0.1 1 59 35 ILE H H 8.35 0.01 1 60 35 ILE N N 118.26 0.1 1 61 36 TYR H H 9.04 0.01 1 62 36 TYR N N 122.96 0.1 1 63 37 VAL H H 9.11 0.01 1 64 37 VAL N N 119.76 0.1 1 65 38 LYS H H 9.59 0.01 1 66 38 LYS N N 134.76 0.1 1 67 39 ALA H H 7.61 0.01 1 68 39 ALA N N 116.66 0.1 1 69 40 VAL H H 8.78 0.01 1 70 40 VAL N N 120.76 0.1 1 71 41 ILE H H 7.80 0.01 1 73 43 GLN H H 9.35 0.01 1 74 43 GLN N N 116.46 0.1 1 75 44 GLY H H 7.76 0.01 1 76 44 GLY N N 105.76 0.1 1 77 45 ALA H H 9.11 0.01 1 78 45 ALA N N 121.06 0.1 1 79 46 ALA H H 8.01 0.01 1 80 46 ALA N N 119.06 0.1 1 81 47 GLU H H 9.50 0.01 1 82 47 GLU N N 124.16 0.1 1 83 48 SER H H 8.03 0.01 1 84 48 SER N N 113.26 0.1 1 85 49 ASP H H 7.62 0.01 1 86 49 ASP N N 119.46 0.1 1 87 50 GLY H H 7.33 0.01 1 88 50 GLY N N 102.56 0.1 1 89 51 ARG H H 7.88 0.01 1 90 51 ARG N N 116.96 0.1 1 91 52 ILE H H 8.31 0.01 1 92 52 ILE N N 120.06 0.1 1 93 53 HIS H H 9.09 0.01 1 94 53 HIS N N 122.86 0.1 1 95 54 LYS H H 8.66 0.01 1 96 54 LYS N N 120.16 0.1 1 97 55 GLY H H 9.35 0.01 1 98 55 GLY N N 114.46 0.1 1 99 56 ASP H H 8.07 0.01 1 100 56 ASP N N 121.66 0.1 1 101 57 ARG H H 8.98 0.01 1 102 57 ARG N N 122.26 0.1 1 103 58 VAL H H 8.93 0.01 1 104 58 VAL N N 125.76 0.1 1 105 59 LEU H H 9.24 0.01 1 106 59 LEU N N 126.66 0.1 1 107 60 ALA H H 7.69 0.01 1 108 60 ALA N N 118.26 0.1 1 109 61 VAL H H 8.35 0.01 1 110 61 VAL N N 119.16 0.1 1 111 62 ASN H H 10.37 0.01 1 112 62 ASN N N 128.56 0.1 1 113 63 GLY H H 9.04 0.01 1 114 63 GLY N N 102.56 0.1 1 115 64 VAL H H 8.01 0.01 1 116 64 VAL N N 123.26 0.1 1 117 65 SER H H 8.67 0.01 1 118 65 SER N N 120.76 0.1 1 119 66 LEU H H 8.13 0.01 1 120 66 LEU N N 124.46 0.1 1 121 67 GLU H H 8.21 0.01 1 122 67 GLU N N 122.26 0.1 1 123 68 GLY H H 9.13 0.01 1 124 68 GLY N N 115.46 0.1 1 125 69 ALA H H 7.92 0.01 1 126 69 ALA N N 121.96 0.1 1 127 70 THR H H 8.32 0.01 1 128 70 THR N N 111.96 0.1 1 129 71 HIS H H 9.17 0.01 1 130 71 HIS N N 121.06 0.1 1 131 72 LYS H H 8.73 0.01 1 132 72 LYS N N 115.16 0.1 1 133 73 GLN H H 7.57 0.01 1 134 73 GLN N N 116.66 0.1 1 135 74 ALA H H 8.50 0.01 1 136 74 ALA N N 122.56 0.1 1 137 75 VAL H H 8.28 0.01 1 138 75 VAL N N 117.56 0.1 1 139 76 GLU H H 8.22 0.01 1 140 76 GLU N N 119.16 0.1 1 141 77 THR H H 7.99 0.01 1 142 77 THR N N 115.76 0.1 1 143 78 LEU H H 8.03 0.01 1 145 80 ASN H H 8.00 0.01 1 146 80 ASN N N 120.06 0.1 1 147 81 THR H H 7.56 0.01 1 148 81 THR N N 109.46 0.1 1 149 82 GLY H H 8.37 0.01 1 150 82 GLY N N 108.56 0.1 1 151 83 GLN H H 8.16 0.01 1 152 83 GLN N N 116.06 0.1 1 153 84 VAL H H 7.71 0.01 1 154 84 VAL N N 115.76 0.1 1 155 85 VAL H H 9.01 0.01 1 156 85 VAL N N 127.96 0.1 1 157 86 HIS H H 8.71 0.01 1 158 86 HIS N N 125.46 0.1 1 159 87 LEU H H 8.99 0.01 1 160 87 LEU N N 126.06 0.1 1 161 88 LEU H H 7.94 0.01 1 162 88 LEU N N 123.96 0.1 1 163 89 LEU H H 8.93 0.01 1 164 89 LEU N N 126.96 0.1 1 165 90 GLU H H 8.84 0.01 1 166 90 GLU N N 118.56 0.1 1 167 91 LYS H H 9.35 0.01 1 168 91 LYS N N 128.86 0.1 1 169 92 GLY H H 9.63 0.01 1 170 92 GLY N N 116.96 0.1 1 171 93 GLN H H 8.27 0.01 1 172 93 GLN N N 116.36 0.1 1 173 94 SER H H 8.41 0.01 1 175 96 THR H H 7.74 0.01 1 stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_one _Saveframe_category citation _Citation_full ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, J. H., Oldfield, E., Markley, J. L., and Sykes, B. D., J. Biomol. NMR 6, 135-140 (1995). ; save_