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1 ts of local backbone structure (NMR residual dipolar couplings).
2 on despite having a larger cross-section for dipolar coupling.
3 at approximately 165 ppm and lacks (15)N for dipolar coupling.
4 dipolar coupling, and solution NMR residual dipolar coupling.
5 et of experimental NMR methyl group residual dipolar couplings.
6 , as manifested by their strong (19)F-(29)Si dipolar couplings.
7 s constraints, including the methyl residual dipolar couplings.
8 uring NMR relaxation parameters and residual dipolar couplings.
9 tive magnitude of the respective (15)N-(17)O dipolar couplings.
10 l shifts as well as (1)H-(15)N heteronuclear dipolar couplings.
11 using NMR spectroscopy by employing residual dipolar couplings.
12 tra suitable for the measurement of residual dipolar couplings.
13 lies on the basis of statistical analysis of dipolar couplings.
14 ct 1JCalphaC' scalar and 1DCalphaC' residual dipolar couplings.
15 nd accurately measure numerous heteronuclear dipolar couplings.
16 13C and 15N) and refinement against residual dipolar couplings.
17 by complete cross-validation of the residual dipolar couplings.
18 aints in the form of backbone (15)N residual dipolar couplings.
19 x orientations were determined from residual dipolar couplings.
20 ear Overhauser enhancement data and residual dipolar couplings.
21 aeolicus LpxC-TU-514 complex using residual dipolar couplings.
22 ion of holo-ACPP to ACPS by fitting residual dipolar couplings.
23 using NMR order tensor analysis of residual dipolar couplings.
24 rder parameters from the (13)C-(1)H residual dipolar couplings.
25 AF) allowed us to measure 86 N-H(N) residual dipolar couplings.
27 ed via 2H quadrupolar couplings, C-H and N-H dipolar couplings, 13C chemical shift anisotropies, and
28 hemical shifts are encoded by the (1)H-(15)N dipolar couplings, 2D dipolar-encoded HETCOR (i.e., de-H
29 ombination of DNA hybridization and particle dipolar coupling, a property dependent on particle compo
32 easurement of a broad range of heteronuclear dipolar couplings, allowing for a complete mapping of pr
34 emical shift analysis, backbone N-H residual dipolar couplings, amide proton NOEs, and R(2) relaxatio
38 Using the solution NMR methods of residual dipolar coupling analysis, we determine that significant
39 sive set of hetero- and homonuclear residual dipolar coupling and 31P chemical shift anisotropy restr
40 utilize the PISEMA pulse sequence to measure dipolar coupling and chemical shift, the two key paramet
41 ngle, small-angle X-ray scattering, residual dipolar coupling and inter-domain NOE nuclear Overhauser
42 r of RNA elements was determined by residual dipolar coupling and paramagnetic relaxation experiments
43 ed in aqueous solution by using NMR residual dipolar coupling and spin labeling methods and is based
44 stants are proportional to the square of the dipolar coupling and the spectral overlap integral betwe
47 upolar splittings together with (1)(5)N/(1)H dipolar couplings and (1)(5)N chemical shifts, using two
53 ndent 13C and 15N spectra, 13C-1H and 15N-1H dipolar couplings and 1H rotating-frame spin-lattice rel
55 loyed oriented solid-state NMR data, such as dipolar couplings and chemical shift anisotropy measured
57 culated by linear regression of the residual dipolar couplings and chemical shifts at increasing alig
58 of membrane proteins, the angular-dependent dipolar couplings and chemical shifts provide a direct i
59 h distance- and mobility-dependent (1)H-(1)H dipolar couplings and detecting it through polysaccharid
60 ta on the two proteins derived from residual dipolar couplings and distance restraints from site-spec
61 istic APP-TM population observed by residual dipolar couplings and double electron-electron resonance
62 parable accuracy in back-calculated residual dipolar couplings and J-couplings across hydrogen bonds
63 troscopy, including measurements of residual dipolar couplings and molecular dynamics simulations, to
68 segment (P2a.1-J2a.1 refined using residual dipolar couplings and the modeling program MC-Sym) we ha
70 in, and distance, hydrogen bonding, residual dipolar coupling, and dihedral angle constraints were us
71 s transitions between qubit states, a strong dipolar coupling, and leading-order protection from elec
72 recently measured chemical shift anisotropy, dipolar coupling, and residual dipolar coupling data.
73 olid-state NMR chemical shift anisotropy and dipolar coupling, and solution NMR residual dipolar coup
74 equence was used to measure the internuclear dipolar coupling, and the results demonstrate (1) the me
75 (3)JH(N)H(alpha) scalar couplings, residual dipolar couplings, and (1)H-(15)N NOEs, we have optimize
76 rporating backbone chemical shifts, residual dipolar couplings, and amide proton distances into the R
77 rrelation experiments, (1)H-(17)O scalar and dipolar couplings, and plane-wave DFT calculations provi
78 d peptide would be evident in local residual dipolar couplings, and possibly differences in homonucle
80 the measurement of long-range heteronuclear dipolar couplings, and that they provide inaccurate valu
81 order parameters are based on heteronuclear dipolar couplings, and they are correlated to assigned c
84 Here we use NMR chemical shifts and residual dipolar couplings as structural restraints in replica-av
85 ether with spectroscopic selections based on dipolar couplings as well as two-dimensional spin-diffus
87 ed additional structural information through dipolar couplings, as follows: (1) to the nearest proton
94 duced changes in distance as measured by the dipolar coupling between spin labels introduced onto the
95 ally, measurements of the distance-dependent dipolar coupling between the two spins are used to obtai
96 owerful structural biology tool in which the dipolar coupling between two unpaired electron spins (si
97 tional resonance SSNMR measurements of (13)C dipolar couplings between backbone F23 and I26 of hIAPP
99 fsets of 13C carbonyl resonances and 13C-13C dipolar couplings between the labeled methyl and carbony
100 Averaging of the homonuclear (13)C/(13)C dipolar couplings, by MAS of the sample, enables the use
101 lution due to the efficient averaging of the dipolar couplings can be attained at MAS frequencies of
102 er alignment media, but the magnitude of the dipolar couplings can be easily scaled up by increasing
108 e resolved and well simulated using distinct dipolar coupling constants DCalphaH and DCalphaD for the
109 specific (1)H-(13)C/(1)H-(15)N heteronuclear dipolar coupling constants for CAP-Gly and CTD CA, repor
110 one-shot determination of accurate residual dipolar coupling constants from a single NMR spectrum.
111 e a helical structure that predicts residual dipolar coupling constants that are incompatible with th
112 0 experimental nuclear Overhauser effect and dipolar coupling constraints ( approximately 17 constrai
113 coupling constants ((1) J(OH)) or (1)H-(17)O dipolar couplings ( D(OH)), respectively, the latter of
115 mall angle X-ray scattering and NMR residual dipolar coupling data demonstrates unambiguously that th
116 -H, N-C', Calpha-Halpha, Calpha-C') residual dipolar coupling data in five independent alignment medi
117 d diubiquitin, characterized by the residual dipolar coupling data measured at several pH conditions.
119 al contributions; when coupled with residual dipolar coupling data, a KGSrna ensemble revealed a prev
121 present NMR resonance assignments, residual dipolar coupling data, functional analysis, and a struct
126 e difference between two successive residual dipolar couplings (DeltaRDCs) involving C6/8-H6/8, C3'-H
128 agreement with (+/-20%) the root-sum-squared dipolar couplings determined from the crystal structure.
129 ttering, nuclear magnetic resonance residual dipolar couplings, dipolar electron-electron resonance s
130 ng 2D NMR NOESY, ROESY, T-ROESY and residual dipolar coupling experiments in a range of solvents, alo
132 MR chemical shift perturbation, and residual dipolar coupling experiments support the idea that the d
134 shifts and paramagnetically induced residual dipolar couplings for six different lanthanide ions.
137 chemical shift and (1)H-(15)N heteronuclear dipolar coupling frequencies as orientation constraints
139 omain walls, but their density is limited by dipolar coupling from their fringing magnetic fields.
140 somers to deconvolve the influence of SAM-LC dipolar coupling from variations in molecular geometry,
141 ited not only from the inclusion of residual dipolar couplings from partially aligned samples but als
142 hyperpolarized LLS, induced by heteronuclear dipolar couplings, generates strongly enhanced antiphase
143 5)N chemical shift anisotropy and (1)H/(15)N dipolar couplings have been analyzed using short-time av
144 sly inaccessible (1) H(alpha) -(13) C(alpha) dipolar couplings have been measured, which make it poss
145 erived data (relaxation parameters, residual dipolar couplings, hydrogen exchange rates, pK(a) values
146 Backbone amide chemical shifts, residual dipolar couplings, hydrogen-deuterium exchange, and (15)
148 sample was determined by measuring the 15N-H dipolar coupling in the triflic acid salt of the complet
149 ial buildup (DeltaS/S < 0.2) yield effective dipolar couplings in agreement with (+/-20%) the root-su
150 clude the measurement of (1)H-(13)C residual dipolar couplings in Ala(beta) methyls, characterization
151 landscape of the complex using NMR residual dipolar couplings in replica-averaged metadynamics simul
152 tion was made possible by measuring residual dipolar couplings in weakly oriented micelle samples of
155 al transition moment and the axis of maximum dipolar coupling, is also confirmed by magnetophotoselec
156 ution NMR methodology that combines residual dipolar couplings, J-couplings, and intramolecular hydro
157 n arranged in such a way that their in-phase dipolar coupling leads to a collective excitation of the
158 w that 15N chemical shift anisotropy and N-H dipolar coupling measured on these powder samples can be
160 fragments that are consistent with multiple dipolar couplings measured in a single alignment medium
161 teronuclear relaxation experiments, residual dipolar coupling measurements and analytical ultracentri
165 NMR carbon spin relaxation data and residual dipolar coupling measurements reveal a flexible yet stac
166 roximity between V3 and K17, and (13)C-(13)C dipolar coupling measurements reveal proximity between t
167 ve to the unphosphorylated complex, residual dipolar coupling measurements reveal that the structures
173 analysis and by application of the residual dipolar coupling method, the rearrangement occurs withou
176 rge g-anisotropy is shown to result in large dipolar couplings near g( parallel) and uniquely anisotr
177 infer that water exhibits distinct (1)H-(1)H dipolar coupling networks with the backbone and side-cha
178 h measurements of intermolecular (13)C-(13)C dipolar couplings observed in PITHIRDS-CT experiments.
179 teraction strength, we elucidate the role of dipolar coupling of molecular monolayers to their enviro
181 cular alignment model that predicts residual dipolar couplings of small molecules aligned by poly(gam
182 ), the close to zero values for the residual dipolar couplings of the backbone amides, and minimal de
183 15)N spin relaxation and (15)N,(1)H residual dipolar couplings of the covalent ChVLig-AMP intermediat
184 veal enantiotopic recognition using residual dipolar couplings or to determine the absolute configura
185 sites based on either spatial proximity (via dipolar couplings) or through-bond connectivity (via sca
186 his study is in good agreement with residual dipolar coupling, paramagnetic resonance enhancement, sm
187 f the proteins and chemical shifts, residual dipolar couplings, paramagnetic relaxation enhancement,
188 Refinement of this library with NMR residual dipolar couplings provided an atomistic ensemble model f
190 rget site have been investigated by residual dipolar coupling (RDC) and paramagnetic relaxation enhan
191 -coupling((3)J(H(N))(H(alpha))) and residual dipolar coupling (RDC) data calculated from the REMD tra
192 to best reproduce the experimental residual dipolar coupling (RDC) data for this system, as both che
193 only unassigned chemical shifts and residual dipolar coupling (RDC) data.We introduce a geometric opt
194 -D exchange, backbone dynamics, and residual dipolar coupling (RDC) experiments reveal regions of fle
195 g internal from overall motions and residual dipolar coupling (RDC) measurements for determining the
196 also supported by the results from residual dipolar coupling (RDC) measurements obtained using Pf1-p
197 on CEACAM1-IgV dimerization and use residual dipolar coupling (RDC) measurements to characterize the
202 ow the plasticity in the model-free residual dipolar coupling (RDC) order parameters and in an ensemb
203 ports the acquisition of (1)H-(15)N residual dipolar coupling (RDC) values for individual subunits in
205 nd complexed to HPr), combined with residual dipolar coupling (RDC), small- (SAXS) and wide- (WAXS) a
206 me P450(cam) (CYP101) obtained from residual dipolar coupling (RDC)-restrained molecular dynamics (MD
207 ethodology that simultaneously uses residual dipolar couplings (RDC) and the small-angle X-ray scatte
209 , is known from an extensive set of residual dipolar couplings (RDC), previously used to refine its s
211 n of orientational constraints from residual dipolar couplings (RDCs) and chemical shift anisotropy (
212 spectroscopy (NOESY) spectroscopy, residual dipolar couplings (RDCs) and paramagnetic relaxation enh
213 se of anisotropic NMR data, such as residual dipolar couplings (RDCs) and residual chemical shift ani
214 ntation restraints derived from NMR residual dipolar couplings (RDCs) and semiquantitative distance r
221 tural abundance one-bond (1)H-(13)C residual dipolar couplings (RDCs) for menthol measured in the gel
222 Alternatively, one can measure residual dipolar couplings (RDCs) for natural abundance lipid sam
224 measurement of backbone (1)H-(15)N residual dipolar couplings (RDCs) from samples of two different c
225 re multiple independent sets of NMR residual dipolar couplings (RDCs) has made it possible to charact
228 xperiment was applied for measuring residual dipolar couplings (RDCs) in an 8 kDa protein Z-domain al
230 proach based on measurement of many residual dipolar couplings (RDCs) in differentially orienting aqu
233 rotein that NMR and, in particular, residual dipolar couplings (RDCs) measured for the folded portion
234 S data, supplemented by NMR-derived residual dipolar couplings (RDCs) measured in a weakly aligning m
236 tes between dipolar interactions to residual dipolar couplings (RDCs) of individual consecutive H(N)-
237 rs such as chemical shifts (CSs) or residual dipolar couplings (RDCs) on structural propensity are kn
240 pproach based on the measurement of residual dipolar couplings (RDCs) to probe the structural and mot
242 domain orientation restraints from residual dipolar couplings (RDCs) without a need for a previously
243 Y spectrum revealed many long-range residual dipolar couplings (RDCs), and detailed analysis of magne
244 , as mapped by NMR spin relaxation, residual dipolar couplings (RDCs), and scalar couplings, illustra
245 ramagnetic relaxation enhancements, residual dipolar couplings (RDCs), chemical shifts, and small-ang
249 an ideal model alpha-helix for its residual dipolar couplings (RDCs), measured in a filamentous phag
250 EST) NMR spectroscopy for measuring residual dipolar couplings (RDCs), which provide unique long-rang
256 many of the analogous amides in the residual dipolar coupling-restrained ubiquitin ensemble are subst
257 hydrogen bond constraints, and 362 residual dipolar coupling restraints derived from a series of two
258 , a nearly complete set of backbone residual dipolar coupling restraints was recorded for the fusion
260 alone, but the addition of NMR RDC (residual dipolar coupling) restraints improves the structure mode
262 did not result in a loss of the (13)C-(13)C dipolar couplings, showing that these couplings are prim
264 ased on NOE distance restraints and residual dipolar couplings, shows that the NHR and CHR helices re
265 our unfolded ensemble dominate the residual dipolar coupling signal, whereas the uniformity of the s
266 f scalar couplings and additional long-range dipolar couplings significantly enhances signal to noise
267 )N relaxation rates, and (1)H-(15)N residual dipolar couplings suggest structural changes and rapid m
269 he basis of a very extensive set of residual dipolar couplings, than for any single static NMR struct
270 -sweep spectra show evidence of intercluster dipolar coupling that can be simulated using an uncouple
271 Many of these same residues have residual dipolar couplings that deviate from structural predictio
272 r ensemble consistent with measured residual dipolar couplings that revealed dynamic motions up to mi
273 iment DROSS, we resolved (13)C-(1)H residual dipolar couplings that were interpreted with a statistic
274 ha, HN-N, and Calpha-C' J-modulated residual dipolar couplings, the backbone rmsd improves to 0.22 A.
276 Hamiltonian for the hydride electron-nuclear dipolar coupling to its "anchoring" Fe ions, an approach
277 f water protons through their time-dependent dipolar coupling to paramagnetic probes, here nitroxide
278 ulations on Cu(phacac)(2), indicate enhanced dipolar coupling to the d(xz) --> d(xy) transition of th
279 transfer (DREPT), allows for a wide range of dipolar couplings to be encoded, providing high resoluti
280 We obtained these results by using residual dipolar couplings to characterize the dynamics of ubiqui
282 shifts, nuclear Overhauser effects, residual dipolar couplings) to predictions from molecular dynamic
284 the issue, we have measured the NMR residual dipolar couplings using alignment media of stretched gel
285 ng chemical shift perturbations and residual dipolar couplings was employed to obtain a structural mo
286 agnetic relaxation enhancement, and residual dipolar couplings, we have characterized structural and
290 Data from NMR chemical shifts and residual dipolar couplings were used to guide the construction of
293 e experimental data afforded by NMR residual dipolar couplings (which yield both orientational and sh
294 s alignment-inducing agents to gain residual dipolar couplings, which are valuable restraints for mac
295 c relaxation enhancements (PRE) and residual dipolar couplings, which reveal an additional long-range
296 lations with various data sets indicate that dipolar couplings will be critical for obtaining accurat
297 al field spectroscopy correlating (15)N-(1)H dipolar coupling with (15)N chemical shift to determine
299 paring calculated (1)H-(13)C methyl residual dipolar couplings with measured values, and the level of