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Contents of Previous Volumes
VOLUME 1
Chapter 1
NMR of Sodium-23 and Potassium-39 in Biological SystemsMortimer M. Civan and Mordechai Shporer
Chapter 2
High-Resolution NMR Studies of Histones
C. Crane-Robinson
Chapter 3
PMR Studies of Secondary and Tertiary Structure of Transfer RNAin Solution
Philip H. Bolton and David R. Kearns
Chapter 4
Fluorine Magnetic Resonance in BiochemistryJ. T. Gerig
Chapter 5
ESR of Free Radicals in Enzymatic SystemsDale E. Edmondson
317
Contents of Previous Volumes318
Chapter 6
Paramagnetic Intermediates in Photosynthetic Systems
Joseph T. Warden
Chapter 7
ESR of Copper in Biological SystemsJohn F. Boas, John R. Pilbrow, and Thomas D. Smith
VOLUME 2
Chapter 1
Phosphorus NMR of Cells, Tissues, and OrganellesDonald P. Hollis
Chapter 2
EPR of Molybdenum-Containing EnzymesRobert C. Bray
Chapter 3
ESR of Iron ProteinsThomas D. Smith and John R. Pilbrow
Chapter 4
Stable Imidazoline NitroxidesLeonid B. Volodarsky, Igor A. Grigor ’ev, and Renad Z. Sagdeev
Chapter 5
The Multinuclear NMR Approach to Peptides: Structures, Conformation,and Dynamics
Roxanne Deslauriers and Ian C. P. Smith
VOLUME 3
Chapter 1
Multiple Irradiation 1H NMR Experiments with HemoproteinsRegula M. Keller and Kurt Wüthrich
319Contents of Previous Volumes
Chapter 2
Vanadyl(IV) EPR Spin Probes: Inorganic and Biochemical AspectsN. Dennis Chasteen
Chapter 3
ESR Studies of Calcium- and Protein-Induced Photon Separationsin Phospatidylserine-Phosphatidylcholine Mixed Membranes
Shun-ichi Ohnishi and Satoru Tokutomi
Chapter 4
EPR Crystallography of Metalloproteins and Spin-Labeled EnzymesJames C. W. Chien and L. Charles Dickinson
Chapter 5
Electron Spin Echo Spectroscopy and the Study of MetalloproteinsW. B. Mims and J. Peisach
VOLUME 4
Chapter 1
Spin Labeling in DiseaseD. Allan Butterfield
Chapter 2
Principles and Applications of NMR to Biological SystemsIan M. Armitage and James D. Otvos
Chapter 3
Photo-CIDNP Studies of ProteinsRobert Kaptein
Chapter 4
Application of Ring Current Calculations to the Proton NMR of Proteinsand Transfer RNA
Stephen J. Perkins
Contents of Previous Volumes320
VOLUME 5
Chapter 1
CMR as a Probe for Metabolic Pathways in VivoR. L. Baxter, N. E. Mackenzie, and A. I. Scott
Chapter 2
Nitrogen-15 NMR in Biological SystemsFelix Blomberg and Heinz, Rüterjans
Chapter 3
Phosphorus-31 Nuclear Magnetic Resonance Investigations of EnzymeSystems
B. D. Nageswara Rao
Chapter 4
NMR Methods Involving Oxygen Isotopes in BiophosphatesMing-Daw Tsai and Larol Bruzik
Chapter 5
ESR and NMR Studies of Lipid-Protein Interactions in MembranesPhilippe F. Devaux
VOLUME 6
Chapter 1
Two-Dimensional Spectroscopy as a Conformational Probe of CellularPhosphates
Philip H. Bolton
Chapter 2
Lanthanide Complexes of Peptides and ProteinsRobert E. Lenkinski
Chapter 3
EPR of Mn(II) Complexes with Enzymes and Other ProteinsGeorge H. Reed and George D. Markham
321Contents of Previous Volumes
Chapter 4
Biological Applications of Time Domain ESRHans Thomann, Larry R. Dalton, and Lauraine A. Dalton
Chapter 5
Techniques, Theory, and Biological Applications of Optically DetectedMagnetic Resonance (ODMR)
August H. Maki
VOLUME 7
Chapter 1
NMR Spectroscopy of the Intact HeartGabriel A. Elgavish
Chapter 2
NMR Methods for Studying Enzyme Kinetics in Cells and TissueK. M. Brindle, I. D. Campbell, and R. J. Simpson
Chapter 3
Endor Spectroscopy in Photobiology and BiochemistryKlaus Möbius and Wolfgang Lubitz
Chapter 4
NMR Studies of Calcium-Binding ProteinsHans J. Vogel and Sture Forsén
VOLUME 8
Chapter 1
Calculating Slow Motional Magnetic Resonance Spectra: A User's GuideDavid J. Schneider and Jack H. Freed
Chapter 2
Inhomogeneously Broadened Spin-Label SpectraBarney Bales
Contents of Previous Volumes322
Chapter 3
Saturation Transfer Spectroscopy of Spin-Labels: Techniques andInterpretation of Spectra
M. A. Hemminga and P. A. de Jager
Chapter 4
Nitrogen-15 and Deuterium Substituted Spin Labels for Studies of VerySlow Rotational Motion
Albert H. Beth and Bruce H. Robinson
Chapter 5
Experimental Methods in Spin-Label Spectral AnalysisDerek Marsh
Chapter 6
Electron-Electron Double ResonanceJames S. Hyde and Jim B. Feix
Chapter 7
Resolved Electron-Electron Spin-Spin Splittings in EPR SpectraGareth R. Eaton and Sandra S. Eaton
Chapter 8
Spin-Label Oximetry
James S. Hyde and Witold S. Subczynski
Chapter 9
Chemistry of Spin-Labeled Amino Acids and Peptides: Some NewMono- and Bifunctionalized Nitroxide Free Radicals
Kálmán Hideg and Olga H. Hankovsky
Chapter 10
Nitroxide Radical Adducts in Biology: Chemistry, Applications, andPitfalls
Carolyn Mottley and Ronald P. Mason
Methods of Proton Resonance Assignment for ProteinsAndrew D. Robertson and John L. Markley
Chapter 4
Structure Determination via Complete Relaxation Matrix Analysis(CORMA) of Two-Dimensional Nuclear Overhauser Effect Spectra: DNAFragments
Brandan A. Borgias and Thomas L. James
Chapter 3
323Contents of Previous Volumes
Chapter 11
Advantages of and Deuterium Spin Probes for Biomedical ElectronParamagnetic Resonance Investigations
Jane H. Park and Wolfgang E. Trommer
Chapter 12
Magnetic Resonance Study of the Combining Site Structureof a Monoclonal Anti-Spin-Label Antibody
Jacob Anglister
VOLUME 9
Chapter 1
Phosphorus NMR of MembranesPhilip L. Yeagle
Chapter 2
Investigation of Ribosomal 5S Ribonucleotide Acid Solution Structure andDynamics by Means of High-Resolution Nuclear Magnetic ResonanceSpectroscopy
Alan G. Marshall and Jiejun Wu
Appendix
Approaches to the Chemical Synthesis of and Deuterium SubstitutedSpin Labels
Jane H. Park and Wolfgang E. Trommer
Contents of Previous Volumes324
Chapter 5
Solid-State NMR Spectroscopy of ProteinsStanley J. Opella
Chapter 6
Methods for Suppression of the Signal in Proton FT/NMRSpectroscopy: A Review
Joseph E. Meier and Alan G. Marshall
VOLUME 10
Chapter 1
High-Resolution Magnetic Resonance Spectroscopy ofOligosaccharide-Alditols Released from Mucin-Type O-Glycoproteins
Johannis P. Kamerling and Johannes F. G. Vliegenthart
Chapter 2
NMR Studies of Nucleic Acids and Their ComplexesDavid E. Wemmer
VOLUME 11
Chapter 1
Localization of Clinical NMR SpectroscopyLizann Bolinger and Robert E. Lenkinski
Chapter 2
Off-Resonance Rotating Frame Spin-Lattice Relaxation: Theory, andin Vivo MRS and MRI Applications
Thomas Schleich, G. Herbert Caines, and Jan M. Rydzewski
Chapter 3
NMR Methods in Studies of Brain IschemiaLee-Hong Chang and Thomas L. James
325Contents of Previous Volumes
Chapter 4
Shift-Reagent-Aided NMR Spectroscopy in Cellular, Tissue, andWhole-Organ Systems
Sandra K. Miller and Gabriel A. Elgavish
Chapter 5
In Vivo NMR
Barry S. Selinski and C. Tyler Burt
Chapter 6
In Vivo NMR Studies of Cellular MetabolismRobert E. London
Chapter 7
Some Applications of ESR to in Vivo Animals Studies and EPR ImagingLawrence J. Berliner and Hirotada Fujii
VOLUME 12
Chapter 1
NMR Methodology for Paramagnetic Proteins
Gerd N. La Mar and Jeffrey S. de Ropp
Chapter 2
Nuclear Relaxation in Paramagnetic Metalloproteins
Lucia Banci
Chapter 3
Paramagnetic Relaxation of Water Protons
Cathy Coolbaugh Lester and Robert G. Bryant
Chapter 4
Proton NMR Spectroscopy of Model Hemes
F. Ann Walker and Ursula Simonis
Contents of Previous Volumes326
Chapter 5
Proton NMR Studies of Selected Paramagnetic Heme ProteinsJ. D. Satterlee, S. Alam, Q. Yi, J. E. Erman, I. Constantinidis,D. J. Russell, and S. J. Moench
Chapter 6
Heteronuclear Magnetic Resonance: Applications to Biological andRelated Paramagnetic Molecules
Joël Mispelter, Michel Momenteau, and Jean-Marc Lhoste
Chapter 7
NMR of Polymetallic Systems in ProteinsClaudio Luchinat and Stefano Ciurli
VOLUME 13
Chapter 1
Simulation of the EMR Spectra of High-Spin Iron in ProteinsBetty J. Gaffney and Harris J. Silverstone
Chapter 2
Mössbauer Spectroscopy of Iron ProteinsPeter G. Debrunner
Chapter 3
Multifrequency ESR of Copper: Biophysical ApplicationsRiccardo Basosi, William E. Antholine, and James S. Hyde
Chapter 4
Metalloenzyme Active-Site Structure and Function throughMultifrequency CW and Pulsed ENDOR
Brian M. Hoffman, Victoria J. DeRose, Peter E. Doan,Ryszard J. Gurbiel, Andrew L. P. Houseman, and Joshua Telser
Chapter 5
ENDOR of Randomly Oriented Mononuclear Metalloproteins: TowardStructural Determinations of the Prosthetic Group
Jürgen Hüttermann
Contents of Previous Volumes 327
Chapter 6
High-Field EPR and ENDOR in Bioorganic SystemsKlaus Möbius
Chapter 7
Pulsed Electron Nuclear Double and Multiple Resonance Spectroscopy ofMetals in Proteins and Enzymes
Hans Thomann and Marcelino Bernardo
Chapter 8
Transient EPR of Spin-Labeled ProteinsDavid D. Thomas, E. Michael Ostap, Christopher L. Berger,Scott M. Lewis, Piotr G. Fajer, and James E. Mahaney
Chapter 9
ESR Spin-Trapping Artifacts in Biological Model SystemsAldo Tomasi and Anna Iannone
VOLUME 14
Introduction: Reflections on the Beginning of the Spin LabelingTechnique
Lawrence J. Berliner
Chapter 1
Analysis of Spin Label Line Shapes with Novel InhomogeneousBroadening from Different Component Widths: Application to SpatiallyDisconnected Domains in Membranes
M. B. Sankaram and Derek Marsh
Chapter 2
Progressive Saturation and Saturation Transfer EPR for MeasuringExchange Processes and Proximity Relations in Membranes
Derek Marsh, Tibor Pali, and László Horváth
Chapter 3
Comparative Spin Label Spectra at X-band and W-bandAlex I. Smirnov, R. L. Belford, and R. B. Clarkson
Contents of Previous Volumes328
Chapter 4
Use of Imidazoline Nitroxides in Studies of Chemical Reactions: ESRMeasurements of the Concentration and Reactivity of Protons, Thiols,and Nitric Oxide
Valery V. Khramtsov and Leonid B. Volodarsky
Chapter 5
ENDOR of Spin Labels for Structure Determination: From SmallMolecules to Enzyme Reaction Intermediates
Marvin W. Makinen, Devkumar Mustafi, and Seppo Kasa
Chapter 6
Site-Directed Spin Labeling of Membrane Proteins and Peptide-Membrane Interactions
Jimmy B. Feix and Candice S. Klug
Chapter 7
Spin-Labeled Nucleic AcidsRobert S. Keyes and Albert M. Bobst
Chapter 8
Spin Label Applications to Food ScienceMarcus A. Hemminga and Ivon J. van den Dries
Chapter 9
EPR Studies of Living Animals and Related Model Systems(In-Vivo EPR)
Harold M. Swartz and Howard Halpern
AppendixDerek Marsh and Karl Schorn
VOLUME 15
Chapter 1
Tracery Theory and NMRMaren R. Laughlin and Joanne K. Kelleher
329Contents of Previous Volumes
Chapter 2
Isotopomer Analysis of Glutamate: A NMR Method to ProbeMetabolic Pathways Intersecting in the Citric Acid Cycle
A. Dean Sherry and Craig R. Malloy
Chapter 3
Determination of Metabolic Fluxes by Mathematical Analysis ofLabeling Kinetics
John C. Chatham and Edwin M. Chance
Chapter 4
Metabolic Flux and Subcelluar Transport of MetabolitesE. Douglas Lewandowski
Chapter 5
Assessing Cardiac Metabolic Rates During Pathologic Conditionswith Dynamic NMR Spectra
Robert G. Weiss and Gary Gerstenblith
Chapter 6
Applications of Labeling to Studies of Human Brain MetabolismIn Vivo
Graeme F. Mason
Chapter 7
In Vivo NMR Spectroscopy: A Unique Approach in the DynamicAnalysis of Tricarboxylic Acid Cycle Flux and Substrate Selection
Pierre-Marie Luc Robitaille
VOLUME 16
Chapter 1
Determining Structures of Large Proteins and Protein Complexesby NMR
G. Marius Clore and Angela M. Gronenborn
Contents of Previous Volumes330
Chapter 2
Multidimensional NMR Methods for Resonance Assignment,Structure Determination, and the Study of Protein Dynamics
Kevin H. Gardner and Lewis E. Kay
Chapter 3
NMR of Perdeuterated Large ProteinsBennett T. Farmer II and Ronald A. Venters
Chapter 4
Recent Developments in Multidimensional NMR Methods for StructuralStudies of Membrane Proteins
Francesca M. Marassi, Jennifer J. Gesell, and Stanley J. Opella
Chapter 5
Homonuclear Decoupling to ProteinsHiroshi Matsuo, and Gerhard Wagner
Chapter 6
Pulse Sequences for Measuring Coupling ConstantsGeerten W. Vuister, Marco Tessari, Yasmin Karimi-Nejad,and Brian Whitehead
Chapter 7
Methods for the Determination of Torsion Angle Restraintsin Biomacromolecules
C. Griesinger, M. Hennig, J. P. Marino, B. Reif, C. Richter,and H. Schwalbe
VOLUME 17
Chapter 1
Aspects of Modeling Biomolecular Structure on the Basis of Spectroscopicor Diffraction Data
Wilfred F. van Gunsteren, Alexandre M. J. J. Bonvin, Xavier Daura,and Lorna J. Smith
331Contents of Previous Volumes
Chapter 2
Combined Automated Assignment of NMR Spectra and Calculation ofThree-Dimensional Protein Structures
Yuan Xu, Catherine H. Schein, and Werner Braun
Chapter 3
NMR Pulse Sequences and Computational Approaches for AutomatedAnalysis of Sequence-Specific Backbone Resonance Assignments ofProteins
Gaetano T. Montelione, Carlos B. Rios, G. V. T. Swapna,and Diane E. Zimmerman
Chapter 4
Calculation of Symmetric Oligomer Structures from NMR DataSeán I. O’Donoghue and Michael Nilges
Chapter 5
Hybrid–Hybrid Matrix Method for 3D NOESY–NOESY DataRefinements
Elliott K. Gozansky, Varatharasa Thiviyanathan, Nishantha Illangasekare,Bruce A. Luxon, and David G. Gorenstein
Chapter 6
Conformational Ensemble Calacultions: Analysis of Protein and NucleicAcid NMR Data
Anwer Mujeeb, Nikolai B. Ulyanov, Todd M. Billeci, Shauna Farr-Jones,and Thomas L. James
Chapter 7
Complete Relaxation and Conformational Exchange Matrix (CORCEMA)Analysis of NOESY Spectra of Reversibly Forming Ligand–ReceptorComplexes: Application to Transferred NOESY
N. Rama Krishna and Hunter N. B. Moseley
Chapter 8
Protein Structure and Dynamics from Field-Induced Residual DipolarCouplings
James H. Prestegard, Joel R. Tolman, Hashim M. Al-Hashimi,and Michael Andrec
Contents of Previous Volumes332
Chapter 9
Recent Developments in Studying the Dynamics of Protein Structuresfrom and Relaxation Time Measurements
Jan Engelke and Heinz Rüterjans
Chapter 10
Multinuclear Relaxation Dispersion Studies of Protein HydrationBertil Halle, Vladimir P. Denisov, and Kandadai Venu
Chapter 11
Hydration Studies of Biological Macromolecules by Intermolecular Water-Solute NOEs
Gottfried Otting
VOLUME 18
Introduction to in Vivo EPRH. M. Swartz and L. J. Berliner
Chapter 1
Principles of in Vivo EPRS. Subramanian, J. B. Mitchell, and Murali C. Krishna
Chapter 2
Frequency and Power Consideations for in Vivo EPR and RelatedTechniques
J. M. S. Hutchison
Chapter 3
CW EPR Signal Detection BridgesJ. Koscielniak
Chapter 4
Resonators for Low Field in Vivo EPRK. Rubinson
333Contents of Previous Volumes
Chapter 5
Principles of Imaging: Theory and Instrumentation
P. Kuppusamy and M. Chzhan
Chapter 6
Time-Domain Radio Frequency EPR ImagingS. Subramanian, J. B. Mitchell, and Murali C. Krishna
Chapter 7
Stable Soluble Paramagnetic CompoundsH. Halpern
Chapter 8
Stable Particulate Paramagnetic Materials as Oxygen Sensors in EPROximetry
R. B. Clarkson, P. Ceroke, S-W. Norby, and B. Odintsov
Chapter 9
Packaging of Stable Paramagnetic Materials in Oximetry and OtherApplications
B. Gallez
Chapter 10
Spin Trapping in Vivo: Facts and Artifacts
G. Timmins and K. J. Liu
Chapter 11
Ex Vivo Detection of Free Radical Metabolites of Toxic Chemcials andDrugs by Spin Trapping
R. Mason and M. B. Kadiiska
Chapter 12
Chemistry and Biology of Nitric Oxide
A. Komarov
Contents of Previous Volumes334
Chapter 13
In Vivo and in Vitro Detection of NO by EPRH. Fujii and L. J. Berliner
Chapter 14
The Measurement of Oxygen in Vivo Using in Vivo EPR TechniquesH. M. Swartz
Chapter 15
Cardiac Applications of in Vivo EPR Spectroscopy and ImagingJ. Zweier
Chapter 16
Applications of in Vivo EPR Spectroscopy and Imaging in CancerResearch
H. Halpern
Chapter 17
Applications of in Vivo EPR Spectroscopy and Imaging to SkinJ. Fuchs, N. Groth, and T. Herrling
Chapter 18
Pharmaceutical Applications of in Vivo EPR
K. Mader and B. Gallez
Chapter 19
Proton–Electron Double Resonance Imaging (PEDRI)D. Lurie
Chapter 20
Combining NMR and EPR/ESR SimultaneouslyJ. Dunn and H. Swartz
Chapter 21
Perspectives on Clinical in Vivo EPR
H. M. Swartz
Contents of Previous Volumes 335
VOLUME 19
Chapter 1
Distance Measurements by CW and Pulsed EPRSandra S. Eaton and Gareth R. Eaton
Chapter 2
Relaxation Times of Organic Radicals and Transition Metal IonsSandra S. Eaton and Gareth R. Eaton
Chapter 3
Structural Information from CW-EPR Spectra of Dipolar CoupledNitroxide Spin Labels
Eric J. Hustedt and Albert H. Beth
Chapter 4
Determination of Protein Folds and Conformational Dynamics usingSpin-Labeling EPR Spectroscopy
Hassane S. Mchaourab and Eduardo Perozo
Chapter 5
EPR Spectroscopic Ruler: The Deconvolution Method and ItsApplications
Wenzhong Xiao and Yeon-Kyun Shin
Chapter 6
TOAC: The Rigid Nitroxide Side ChainJoseph C. McNulty and Glenn L. Millhauser
Chapter 7
Depth of Immersion of Paramagnetic Centers in Biological SystemsGertz I. Likhtenshtein
Chapter 8
Determination of Distances Based on and EffectsSandra S. Eaton and Gareth R. Eaton
Contents of Previous Volumes336
Chapter 9
Double-Quantum ESR and Distance MeasurementsPetr P. Borbat and Jack H. Freed
Chapter 10
"2+1" Pulse Sequence as Applied for Distance and Spatial DistributionMeasurements of Paramagnetic Centers
A. Raitsimring
Chapter 11
Double Electron–Electron ResonanceGunnar Jeschke, Martin Pannier, and Hans W. Spiess
Chapter 12
Electron Paramagnetic Resonance Distance Measurements inPhotosynthetic Reaction Centers
K. V. Lakshmi and Gary W. Brudvig
Chapter 13
Photo-Induced Radical Pairs Investigated using Out-of-Phase ElectronSpin Echo
Sergei A. Dzuba and Arnold J. Hoff
Index
Abl SH(32), 56,68Abelson protein tyrosine kinase
SH(32), 56Acetyl choline receptor
fragment M2 of, 116Adenosine kinase, 293Agglutinin (AAA), Aleuria aurantia, 306Alcohol dehydrogenase, liver, 131Aldolase
S. aureus 7,8-dihydroneopterin, 12Aligning medium, 168Alignment media, 231–234
anisotropic materials, 234cellulose crystallites, 234filamentous phages, 232phospholipids, 231rod-shaped viruses, 232strained gels, 234surfactants, 233
Alignment of encapsulated proteins, 157Alkane fluids, 129
butane, 132, 153ethane, 132, 133n-heptane, 153n-hexane, 153iso-octane, 153low viscosity, 121n-pentane, 153viscosity of, 129
Alkane solvent, 147viscosity of, 129
AMAP-CP, 112Amide exchange methods, 43Amyloid peptides, 117Angular restraints, 163
AOT, 130reverse micelles, 146–148
APHH-CP, 112ARIA, 209Aspartate chemotaxis receptor, 116Assignment, resonance backbone, 21
Bl domain of streptococcal protein G, 197Back-calculated RDCs, 196Bacteriophage, 117
coat proteins of, 117Bacteriorhodopsin, 116
117Barnase, 95Barrier-to-autoregulation factor, 197Bcl-xL, 308Bicelles, 168, 169
uncharged, 169BS2 DNA duplex, 22Butane, 132
CANDID, 209CC(CO)NH, 127CC(CO)NH-TOCSY, 139Cellulose crystallites, 236c-Crk-II protein, 42, 43
correlation spectrumBPTI, 110
25Cellulose crystallites, 169CHAPS micelle, 85CHAPSO, 168CHAPSO/DMPC, 205, 207Checkerboard labeling protocol, 106Chemical shift
heteronuclear correlation, 11perturbation, 43
337
338 INDEX
CMR7, 111CNS program, 241Conductivity of the sample, 144Conformational exchange broadening
suppression of, 18CORCEMA, 300COSY
1916
16ct-TROSY-(H)C(C)H-COSY, 18–19
Couplings269272
272266272
269272
in complexes, 264in nucleic acids, 258in other systems, 264in proteins, 262scalar hydrogen bond, 253through space, 265
Covalent modification of protein, 83CRINEPT, 5, 37Cross-saturation experiments, 296Cryogenic probe, 144CSX relaxation, 18, 19ct-(H)C(C)H-COSY, 19
1616
CTAB, 137ct-TROSY-(H)C(C)H-COSY, 18, 19Cyanovirin-N (CV-N), 197, 239, 241, 247,
248Cyclophilin A, 16, 19, 223
DCOSY, 176DEHPA, 137DEPTA, 137DHNA, 12, 13, 24, 27, 295Dielectric losses, 144Diffusion editing, 310Dihedral angle restraints, 947,8-Dihydroneopterin, S. aureus aldolase, 12DipoCoup, 191, 209, 210, 212Dipolar couplings
the measurement of, 179as restraints, 180
Dipolar Q-factor, 191
Direct NOE detection, 48DODMAC, 137DOLPA, 137DRAMA, 111DRAWS, 111DREAM, 111
E2, 293E. coli RNA polymerase subunit, 40EIA, 286eIF4E, 46, 83, 89, 91, 95, 99eIF4G-4EBD, 83Encapsulated human ubiquitin, structure of,
151Encapsulated proteins, 121
alignment of, 157partial alignment, 157preparation of, 133
Endo-segmental labeling, 40Epidermal growth factor (EGF), 55EPL, 38Error function, 236E-selectin, 307Ethane, 132, 133Exo-segmental labeling, 38Expressed protein ligation (EPL), 38, 41
Fl-ATPase domain, 94ATP synthase, 94
subunit c from, 94Filamentous phages, 234Filling factor, 143FK506-binding protein, 289FKBP, 289, 291FKBP12, 293Fluoroform, 156Frequency dependence of line width
99
Frictional ratio, 129Fusion peptides, viral, 116
Gels, polymeric, 169Global fold determination, 79G-quartet, 264Gramicidin A, 116Grb2 SH(323), 56
H-bond angles, 278H-bond lengths, 277H-bond scalar couplings, 260, 266
271274
CONTENTS 339
H-bond scalar couplings (continued)274268274
271274
Hck SH(321), 56Heteronuclear chemical shift correlation, 11HNCA, 24, 127HNCACB, 127HNCACO, 25, 26HNCA-E.COSY, 178HNCO-TROSY, 272, 273HNCOCA, 25HNN-COSY, 269, 271HNPO-TROSY, 274HORROR, 112HSQC-J, 173HSQC-NOESY-HSQC, 93Hydrodynamic performance, 132,148Hydrogen bond scalar couplings, 255
in complexes, 266in nucleic acids, 260in other systems, 266in proteins, 264
Identification of bioactive ligands, 287Inter-domain orientations, 53
characterization of, 53IPAP, 170, 174Iso-octane, 153
Labeling strategies, 106Lamellar liquid crystalline phase, 234Lck SH(32), 56Ligands, 287
bioactive, 287screening of, 287
Ligation techniques, 38Limited orientational sampling, 75Linewidth, frequency dependence
99
Liquid crystalline media, 233phase, 236
Liver alcohol dehydrogenase, 131Low viscosity fluids, 121
MAP30, 29MAS, 107MBP, 295Media for alignment, 233–236
Media for alignment (continued)anisotropic materials, 236cellulose crystallites, 236filamentous phages, 234phospholipids, 233rod-shaped viruses, 234strained gels, 236surfactants, 235
MELODRAMA, 111Membrane proteins, 116, 154Methods for screening of ligands, 285Methods of alignment, 168MOCCA, 176, 178Model free spectral density, 123Moore-Penrose-inverse of matrix, 215MTSL (methylthiomethane spin label), 84,
99Multi-domain proteins, 35Mutation sites, 82
Nematic phases, 234
NH-NH NOE, 9328
2543
NOE, 26NOE pumping, 308
reverse, 309NOE-ePHOGSY, 304
26NOESY-HSQC, 85, 93
28Noise-temperature, 143Nova 1KH3 protein, 297
Oligosaccharide, 199as a multidomain molecule, 199
Orientation-degeneracy problem, 67
Paramagneticbroadening effects, 79line broadening, 46relaxation enhancements, 86spectral broadening, 45
Partial alignment of encapsulated proteins,157
PBEs, 79PC-88A, 137Pentane, 132
n-Pentane, 153Phages, 169
340 INDEX
Phospholambin, 116Phospholipids, 233PI-Pful intein, 40Platelet-derived growth factor (PDGF), 55Polymeric gels, 169POST-C7, 111Proteins, 157
alignment of, 157encapsulated, 121partial alignment, 157preparation, 133
Pressurized NMR samples, 133Propane, 132–133, 153Protein
covalent modification, 83dynamics, 73ligation techniques, 38multi-domain 35radius, spherical, 129
Protein structure refinement, 231Protein tyrosine kinase SH(32), 56Pulse sequences
23reverse NOE pumping, 309
10171
TROSY for submultiplets, 17310
Pulsed field gradient diffusion profiles, 149Purple membranes, 169Pyrococcus furiousus, 41
Quality factor, 143–145
Radius of a spherical protein, 129Raffinose, 200–202, 208RDCs, 80, 196
back-calculated, 196Relaxation
approach, 53cross-correlated, transfer of 309filtering, 308
Residual dipolar couplings, 80,163,231, 238angular restraints from, 163structure refinement from, 231
Resonance assignmentbackbone, 21
Reverse micelle surfactants, 137Reverse micelle technology, 130RFDR, 111–113RFDRCP, 112Rhodopsin, 116
Rhodniin, 189, 190, 193, 219, 220, 223RIA, 286Ribonuclease, 131RIL, 111RNA polymerase subunit, E. coli, 40RNA-theophylline complex, 17Rod-shaped viruses, 234Rotational resonance, 111RT-Src loop, 72
S. aureus 7,8-dihydroneopterin aldolase, 12170
Sambucus nigra agglutinin(SNA), 302, 303SAR by NMR, 113, 291–293Saturation transfer, 46
experiments, 47Saupe matrix, 215Scalar couplings
in complexes, 264hydrogen bond, 253in nucleic acids, 258in other systems, 264in proteins, 262
SDSL (site-directed spin labeling), 79SEDRA, 111SEDUCE-1, 23Segmental isotopic labeling, 35Sensitivity, 143Sequential expressed protein ligation, 41SH2-SH3-SH3 domain architecture, 42
302Signal-to-noise, 143Simulated annealing protocol, 241Site-directed spin labeling (SDSL), 79Sodium bis(2-ethylhexyl) sulfosuccinate, 130Solid state NMR (SSNMR), 103Source of alignment, 168SPC-5, 111Spherical harmonics, 165SPICP, 112Spin label, MTSL (methylthiomethane spin
label), 84, 99Spin state selective excitation, 170SPITZE-HSQC, 173, 175
13, 14SQ-TROSY, 8Src, 56Src SH(32), 56SSNMR, 103, 105, 107, 116STD NMR, 48, 298–304STD-TOCSY, 301
CONTENTS 341
Stokes-Einstein relation, 128Strained gels, 236Stromelysin, 293Structural genomics, 116, 209, 248, 251Supercritical carbon dioxide, 133Surfactants, 23 5
TALOS, 83Tandem trans-splicing, 41TEDOR, 112Tensor operators in therotating frame, 165Ternary phase diagram, 136,156
196Theophylline-RNA complex, 17Through space couplings, 267TOAC (2,2,6,6-tetramethylpiperidine-l -oxyl-
4-amino-4-carboxylic acid), 47TOCSY
CC(CO)NH-, 139HSQC, 85
TOMAC, 137TPPM, 107Trans hydrogen bond couplings
in complexes, 260in nucleic acids, 258in proteins, 259
Transfer of cross-correlated relaxation, 311residual dipolar coupling, 311
Trans-splicing, 38, 41Trigger factor
from M. genitalium, 195Triose phosphate isomerase, 154, 155trNOE, 305TROSY, 3, 37,80, 127
2516
ct-TROSY-(H)C(C)H-COSY, 18–19frequency dependence, line width, 9
9H(N)CO-TROSY, 270–272HNPO-TROSY, 272
2543
26
28pulse sequences
2310
17110
TROSY for submultiplets, 173SQ-TROSY, 8
13, 14TROSY-HNCOCA, 26
2D water flip-back 29TROSY-T2, 273Tyrosine kinase SH(32),56
UlA/PIE mRNA complex, 96Ubiquitin, 138–143
encapsulated human, structure, 151Ultimate solvents, 156Urokinase, 293
Validation of protein folds, 248Viral fusion peptides, 116
Watergate, 262WaterLOGSY, 304Watson-Crick base pairs, 2772D water flip-back 29
15ZQ-TROSY, 8
