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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 is obtained from the presence of the 13C-14N dipolar coupling.
4 e analyzed in terms of the DQ relaxation and dipolar coupling.
5 at approximately 165 ppm and lacks (15)N for dipolar coupling.
6 dipolar coupling, and solution NMR residual dipolar coupling.
7 et of experimental NMR methyl group residual dipolar couplings.
8 , as manifested by their strong (19)F-(29)Si dipolar couplings.
9 s constraints, including the methyl residual dipolar couplings.
10 uring NMR relaxation parameters and residual dipolar couplings.
11 tive magnitude of the respective (15)N-(17)O dipolar couplings.
12 l shifts as well as (1)H-(15)N heteronuclear dipolar couplings.
13 using NMR spectroscopy by employing residual dipolar couplings.
14 tra suitable for the measurement of residual dipolar couplings.
15 lies on the basis of statistical analysis of dipolar couplings.
16 ct 1JCalphaC' scalar and 1DCalphaC' residual dipolar couplings.
17 nd accurately measure numerous heteronuclear dipolar couplings.
18 13C and 15N) and refinement against residual dipolar couplings.
19 by complete cross-validation of the residual dipolar couplings.
20 aints in the form of backbone (15)N residual dipolar couplings.
21 x orientations were determined from residual dipolar couplings.
22 ear Overhauser enhancement data and residual dipolar couplings.
23 aeolicus LpxC-TU-514 complex using residual dipolar couplings.
24 -(1)H(N) as well as (13)C(alpha)-(1)H(alpha) dipolar couplings.
25 otope-filtered NMR experiments, and residual dipolar couplings.
26 using NMR order tensor analysis of residual dipolar couplings.
27 rder parameters from the (13)C-(1)H residual dipolar couplings.
28 AF) allowed us to measure 86 N-H(N) residual dipolar couplings.
29 ion of holo-ACPP to ACPS by fitting residual dipolar couplings.
31 ed via 2H quadrupolar couplings, C-H and N-H dipolar couplings, 13C chemical shift anisotropies, and
32 hemical shifts are encoded by the (1)H-(15)N dipolar couplings, 2D dipolar-encoded HETCOR (i.e., de-H
35 easurement of a broad range of heteronuclear dipolar couplings, allowing for a complete mapping of pr
37 emical shift analysis, backbone N-H residual dipolar couplings, amide proton NOEs, and R(2) relaxatio
42 Using the solution NMR methods of residual dipolar coupling analysis, we determine that significant
43 sive set of hetero- and homonuclear residual dipolar coupling and 31P chemical shift anisotropy restr
44 utilize the PISEMA pulse sequence to measure dipolar coupling and chemical shift, the two key paramet
45 ngle, small-angle X-ray scattering, residual dipolar coupling and inter-domain NOE nuclear Overhauser
46 r of RNA elements was determined by residual dipolar coupling and paramagnetic relaxation experiments
47 ed in aqueous solution by using NMR residual dipolar coupling and spin labeling methods and is based
48 stants are proportional to the square of the dipolar coupling and the spectral overlap integral betwe
51 upolar splittings together with (1)(5)N/(1)H dipolar couplings and (1)(5)N chemical shifts, using two
56 ndent 13C and 15N spectra, 13C-1H and 15N-1H dipolar couplings and 1H rotating-frame spin-lattice rel
59 loyed oriented solid-state NMR data, such as dipolar couplings and chemical shift anisotropy measured
61 culated by linear regression of the residual dipolar couplings and chemical shifts at increasing alig
62 h distance- and mobility-dependent (1)H-(1)H dipolar couplings and detecting it through polysaccharid
63 ta on the two proteins derived from residual dipolar couplings and distance restraints from site-spec
64 istic APP-TM population observed by residual dipolar couplings and double electron-electron resonance
65 parable accuracy in back-calculated residual dipolar couplings and J-couplings across hydrogen bonds
66 troscopy, including measurements of residual dipolar couplings and molecular dynamics simulations, to
71 segment (P2a.1-J2a.1 refined using residual dipolar couplings and the modeling program MC-Sym) we ha
73 in, and distance, hydrogen bonding, residual dipolar coupling, and dihedral angle constraints were us
74 recently measured chemical shift anisotropy, dipolar coupling, and residual dipolar coupling data.
75 olid-state NMR chemical shift anisotropy and dipolar coupling, and solution NMR residual dipolar coup
76 equence was used to measure the internuclear dipolar coupling, and the results demonstrate (1) the me
77 (3)JH(N)H(alpha) scalar couplings, residual dipolar couplings, and (1)H-(15)N NOEs, we have optimize
78 rporating backbone chemical shifts, residual dipolar couplings, and amide proton distances into the R
79 to <S(2)NH(jump)> derived from the residual dipolar couplings, and an axially symmetric order parame
80 d peptide would be evident in local residual dipolar couplings, and possibly differences in homonucle
82 the measurement of long-range heteronuclear dipolar couplings, and that they provide inaccurate valu
83 order parameters are based on heteronuclear dipolar couplings, and they are correlated to assigned c
86 ether with spectroscopic selections based on dipolar couplings as well as two-dimensional spin-diffus
88 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 owerful structural biology tool in which the dipolar coupling between two unpaired electron spins (si
96 tional resonance SSNMR measurements of (13)C dipolar couplings between backbone F23 and I26 of hIAPP
98 fsets of 13C carbonyl resonances and 13C-13C dipolar couplings between the labeled methyl and carbony
99 Averaging of the homonuclear (13)C/(13)C dipolar couplings, by MAS of the sample, enables the use
100 lution due to the efficient averaging of the dipolar couplings can be attained at MAS frequencies of
101 er alignment media, but the magnitude of the dipolar couplings can be easily scaled up by increasing
103 unction with other NMR experiments, residual dipolar couplings can provide valuable insights into the
105 izing orientational restraints from residual dipolar couplings collected on solution NMR samples is p
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
114 mall angle X-ray scattering and NMR residual dipolar coupling data demonstrates unambiguously that th
115 -H, N-C', Calpha-Halpha, Calpha-C') residual dipolar coupling data in five independent alignment medi
116 d diubiquitin, characterized by the residual dipolar coupling data measured at several pH conditions.
118 al contributions; when coupled with residual dipolar coupling data, a KGSrna ensemble revealed a prev
120 present NMR resonance assignments, residual dipolar coupling data, functional analysis, and a struct
125 e difference between two successive residual dipolar couplings (DeltaRDCs) involving C6/8-H6/8, C3'-H
126 tein, the magnitude and sign of the residual dipolar couplings depend on the orientation of each bond
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
135 shifts and paramagnetically induced residual dipolar couplings for six different lanthanide ions.
138 chemical shift and (1)H-(15)N heteronuclear dipolar coupling frequencies as orientation constraints
140 omain walls, but their density is limited by dipolar coupling from their fringing magnetic fields.
141 somers to deconvolve the influence of SAM-LC dipolar coupling from variations in molecular geometry,
142 ited not only from the inclusion of residual dipolar couplings from partially aligned samples but als
143 hyperpolarized LLS, induced by heteronuclear dipolar couplings, generates strongly enhanced antiphase
144 5)N chemical shift anisotropy and (1)H/(15)N dipolar couplings have been analyzed using short-time av
145 of a large set of protein backbone one-bond dipolar couplings have been carried out to refine the st
146 erived data (relaxation parameters, residual dipolar couplings, hydrogen exchange rates, pK(a) values
147 Backbone amide chemical shifts, residual dipolar couplings, hydrogen-deuterium exchange, and (15)
148 nst the (13)C(alpha)-(13)C' and (13)C'-(15)N dipolar couplings improves the agreement between experim
150 sample was determined by measuring the 15N-H dipolar coupling in the triflic acid salt of the complet
151 ment media and N-C', H(N)-C', and C alpha-C' dipolar coupling in two alignment media can be accounted
153 ial buildup (DeltaS/S < 0.2) yield effective dipolar couplings in agreement with (+/-20%) the root-su
154 clude the measurement of (1)H-(13)C residual dipolar couplings in Ala(beta) methyls, characterization
155 in leads to a change in sign of the residual dipolar couplings in local regions of the polypeptide; t
156 landscape of the complex using NMR residual dipolar couplings in replica-averaged metadynamics simul
157 tion was made possible by measuring residual dipolar couplings in weakly oriented micelle samples of
160 ly align the water dipoles, nearest-neighbor dipolar coupling interactions, and Coulombic repulsion.
161 ulation of helix estimated from the residual dipolar couplings is in excellent agreement with that de
162 al transition moment and the axis of maximum dipolar coupling, is also confirmed by magnetophotoselec
163 n arranged in such a way that their in-phase dipolar coupling leads to a collective excitation of the
165 w that 15N chemical shift anisotropy and N-H dipolar coupling measured on these powder samples can be
167 fragments that are consistent with multiple dipolar couplings measured in a single alignment medium
168 teronuclear relaxation experiments, residual dipolar coupling measurements and analytical ultracentri
172 NMR carbon spin relaxation data and residual dipolar coupling measurements reveal a flexible yet stac
173 roximity between V3 and K17, and (13)C-(13)C dipolar coupling measurements reveal proximity between t
174 ve to the unphosphorylated complex, residual dipolar coupling measurements reveal that the structures
181 rge g-anisotropy is shown to result in large dipolar couplings near g( parallel) and uniquely anisotr
182 infer that water exhibits distinct (1)H-(1)H dipolar coupling networks with the backbone and side-cha
183 h measurements of intermolecular (13)C-(13)C dipolar couplings observed in PITHIRDS-CT experiments.
184 teraction strength, we elucidate the role of dipolar coupling of molecular monolayers to their enviro
186 ), the close to zero values for the residual dipolar couplings of the backbone amides, and minimal de
187 15)N spin relaxation and (15)N,(1)H residual dipolar couplings of the covalent ChVLig-AMP intermediat
188 veal enantiotopic recognition using residual dipolar couplings or to determine the absolute configura
189 sites based on either spatial proximity (via dipolar couplings) or through-bond connectivity (via sca
190 his study is in good agreement with residual dipolar coupling, paramagnetic resonance enhancement, sm
192 rget site have been investigated by residual dipolar coupling (RDC) and paramagnetic relaxation enhan
193 -coupling((3)J(H(N))(H(alpha))) and residual dipolar coupling (RDC) data calculated from the REMD tra
194 to best reproduce the experimental residual dipolar coupling (RDC) data for this system, as both che
195 only unassigned chemical shifts and residual dipolar coupling (RDC) data.We introduce a geometric opt
196 -D exchange, backbone dynamics, and residual dipolar coupling (RDC) experiments reveal regions of fle
197 g internal from overall motions and residual dipolar coupling (RDC) measurements for determining the
198 also supported by the results from residual dipolar coupling (RDC) measurements obtained using Pf1-p
199 on CEACAM1-IgV dimerization and use residual dipolar coupling (RDC) measurements to characterize the
204 ow the plasticity in the model-free residual dipolar coupling (RDC) order parameters and in an ensemb
205 ports the acquisition of (1)H-(15)N residual dipolar coupling (RDC) values for individual subunits in
207 nd complexed to HPr), combined with residual dipolar coupling (RDC), small- (SAXS) and wide- (WAXS) a
208 me P450(cam) (CYP101) obtained from residual dipolar coupling (RDC)-restrained molecular dynamics (MD
209 ethodology that simultaneously uses residual dipolar couplings (RDC) and the small-angle X-ray scatte
211 , is known from an extensive set of residual dipolar couplings (RDC), previously used to refine its s
213 n of orientational constraints from residual dipolar couplings (RDCs) and chemical shift anisotropy (
214 spectroscopy (NOESY) spectroscopy, residual dipolar couplings (RDCs) and paramagnetic relaxation enh
215 ntation restraints derived from NMR residual dipolar couplings (RDCs) and semiquantitative distance r
216 a combination of a large number of residual dipolar couplings (RDCs) and trans-hydrogen bond NMR met
222 of the 70-residue protein eglin C, residual dipolar couplings (RDCs) for HN-N and HA-CA bond vectors
223 tural abundance one-bond (1)H-(13)C residual dipolar couplings (RDCs) for menthol measured in the gel
224 Alternatively, one can measure residual dipolar couplings (RDCs) for natural abundance lipid sam
226 measurement of backbone (1)H-(15)N residual dipolar couplings (RDCs) from samples of two different c
227 re multiple independent sets of NMR residual dipolar couplings (RDCs) has made it possible to charact
229 xperiment was applied for measuring residual dipolar couplings (RDCs) in an 8 kDa protein Z-domain al
231 proach based on measurement of many residual dipolar couplings (RDCs) in differentially orienting aqu
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
241 domain orientation restraints from residual dipolar couplings (RDCs) without a need for a previously
242 Y spectrum revealed many long-range residual dipolar couplings (RDCs), and detailed analysis of magne
243 , as mapped by NMR spin relaxation, residual dipolar couplings (RDCs), and scalar couplings, illustra
248 EST) NMR spectroscopy for measuring residual dipolar couplings (RDCs), which provide unique long-rang
254 oyed relies principally on backbone residual dipolar couplings recorded in three different alignment
255 bin can also explain the pattern of residual dipolar couplings reported previously for denatured stat
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
268 he basis of a very extensive set of residual dipolar couplings, than for any single static NMR struct
269 -sweep spectra show evidence of intercluster dipolar coupling that can be simulated using an uncouple
270 Many of these same residues have residual dipolar couplings that deviate from structural predictio
271 r ensemble consistent with measured residual dipolar couplings that revealed dynamic motions up to mi
272 iment DROSS, we resolved (13)C-(1)H residual dipolar couplings that were interpreted with a statistic
273 ha, HN-N, and Calpha-C' J-modulated residual dipolar couplings, the backbone rmsd improves to 0.22 A.
276 f water protons through their time-dependent dipolar coupling to paramagnetic probes, here nitroxide
277 ulations on Cu(phacac)(2), indicate enhanced dipolar coupling to the d(xz) --> d(xy) transition of th
278 transfer (DREPT), allows for a wide range of dipolar couplings to be encoded, providing high resoluti
279 We obtained these results by using residual dipolar couplings to characterize the dynamics of ubiqui
282 the issue, we have measured the NMR residual dipolar couplings using alignment media of stretched gel
283 ng chemical shift perturbations and residual dipolar couplings was employed to obtain a structural mo
284 agnetic relaxation enhancement, and residual dipolar couplings, we have characterized structural and
286 filamentous phage liquid crystalline media, dipolar couplings were also measured when the protein wa
289 Data from NMR chemical shifts and residual dipolar couplings were used to guide the construction of
292 e experimental data afforded by NMR residual dipolar couplings (which yield both orientational and sh
293 s alignment-inducing agents to gain residual dipolar couplings, which are valuable restraints for mac
294 c relaxation enhancements (PRE) and residual dipolar couplings, which reveal an additional long-range
295 lations with various data sets indicate that dipolar couplings will be critical for obtaining accurat
296 al field spectroscopy correlating (15)N-(1)H dipolar coupling with (15)N chemical shift to determine
298 paring calculated (1)H-(13)C methyl residual dipolar couplings with measured values, and the level of
300 ant correlation was found, with both sets of dipolar couplings yielding a correlation coefficient of
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