ライフサイエンスコーパス: NOE

1 NOE connectivities, chemical shift indices, J-coupling a

2 NOE cross-peak patterns in 2D (12)C/(12)C-filtered NOESY

3 NOE distance measurements reveal shorter average host-gu

4 NOE experiments suggest that the Thr side chain pushes t

5 NOE NMR measurements of the twist angle in solution conf

6 NOE studies clearly show that the peptide self-associate

7 NOE volumes provided distance constraints for molecular

8 NOE-restrained MD simulations of the [Nle(15)]-HG[11-17]

9 NOE-restrained molecular models of the GI5269 and GI0122

10 NOEs between the aromatic ring protons of Phe9 and speci

11 NOEs between the beta-CH(2) protons of Zn cysteinyl liga

12 Chemical shift analyses, d(NN)(i, i + 1) NOEs, and (15)N{(1)H} heteronuclear NOE values show that

13 supported by weak sequential d(NN)(i, i + 1) NOEs.

14 r dynamics/ mechanics calculations using 108 NOE distance restraints (including 11 DNA-drug distances

15 15N T1, T2, and steady-state {1H}-15N NOE data collected at 500 and 700 MHz static magnetic fi

16 ar mechanics (rMD/MM) calculations using 179 NOE distance restraints and refined to an r(6) weighted

17 ed compounds have been confirmed by COSY, 1D NOE, and chemical transformation studies.

18 e investigated through 2D COSY, 2D NOESY, 1D NOE, and diffusion-ordered NMR spectroscopy (DOSY) techn

19 (2) relaxation rate and heteronuclear 15N-1H NOE measurements.

20 homonuclear 19F-19F and heteronuclear 19F-1H NOE experiments providing selective distance information

21 , which were monitored by the patterns of 1H NOEs between the IQ moieties and the DNA in the three se

22 ents of R1, R1rho, and heteronuclear 13C{1H} NOEs for protonated base (C2, C5, C6, and C8) and sugar

23 2D NOE NMR data are consistent with a cis-anti cyclobutane

24 uctural refinement based upon a total of 364 NOE-derived distance restraints yielded a structure in w

25 two 4D Co-MDD NOESYs yielded a total of 366 NOEs, resulting in 139 unambiguous upper limit distance

26 RMS deviation of 0.53 +/- 0.22 A based on 51 NOE, 6 hydrogen bond, 6 phi dihedral angle, and 3 disulf

27 neous refinement of the coordinates (against NOE, torsion angle, and dipolar coupling restraints) and

28 All NOE results and the corresponding predictions confirm th

29 e-shared NOESY experiment (1) to collect all NOEs in (2)H/(13)C/(15)N-labeled protein samples with se

30 rhelical H(N)-H(alpha) and H(alpha)-H(alpha) NOE contacts.

31 ted by the observation of medium-range amide NOEs.

32 An NOE study of this synthetic product showed that ustiloxi

33 rther characterized by (19)F NMR and show an NOE cross-peak between residues that are located on diff

34 proton lifetime, solvent accessibility, and NOE connectivity suggest that sequence contexts that pro

35 re employed for conformational analysis, and NOE-based distance mapping between sugar and protein rev

36 ltaOrn delta-proton magnetic anisotropy, and NOE cross-peaks that establish all compounds but 1c and

37 eteronuclear multiple-quantum coherence, and NOE, were used to identify two sulfated steroids, 4-preg

38 erences primarily from coupling constant and NOE data.

39 tallography, (1)H NMR spectroscopy, COSY and NOE experiments, as well as density functional calculati

40 In addition to J-coupling and NOE restraints, a nearly complete set of backbone residu

41 with experimental NMR scalar J-coupling and NOE values.

42 ant, gel filtration chromatography data, and NOE signals indicated that CaM-N and CaM-C can each bind

43 s, as demonstrated by circular dichroism and NOE/NMR spectroscopy.

44 The results of NMR diffusion and NOE experiments reveal multiple binding interactions of

45 chemical-shift perturbation experiments and NOE analyses indicated that there are four regions in Pa

46 ntrol could be determined by chiral HPLC and NOE NMR spectroscopy using a modified 1,3-oxathiolane co

47 de the collection of (13)C, (13)C{(1)H}, and NOE data in addition to more complex 2D COSY, ultrafast

48 sed to characterize amino alcohol 2-MAP, and NOE was used to confirm its relative stereochemistry.

49 nfirmed also by variable-temperature NMR and NOE experiments.

50 ution structures as determined by 1H NMR and NOE-restrained molecular dynamics simulations clearly il

51 Standard R(1), R(1)(rho), and NOE experiments aimed at (15)N[(1)H] amide moieties are

52 ly ordered on the nanosecond time scale, and NOE analysis indicates HAfp is located at the water-lipi

53 hboring strands and local chemical shift and NOE information.

54 exhibit Ca(2+)-dependent chemical shifts and NOE patterns consistent with Ca(2+)-induced extrusion of

55 ccount for the measured relaxation times and NOE enhancements.

56 in nature, chemical shifts, J couplings, and NOEs, are in agreement.

57 m-Gill relaxation dispersion experiments and NOEs revealed the crystal structure to contain critical

58 NMR observables, such as NOE-based distance measurements, are increasingly being

59 les together with other observables, such as NOEs, should lead to a fast and accurate refinement of t

60 signment is required to unambiguously assign NOE correlations for structural determination of folded

61 rates' binding sites, and methyl-TROSY-based NOE spectroscopy performed on {U-(2)H; Ala(beta)-[(13)CH

62 mon cation scaffold by X-ray analysis and by NOE determination.

63 isolated and their configuration assigned by NOE experiments and by X-ray diffraction.

64 that could not be unequivocally assigned by NOE experiments are also provided.

65 Interflavanoid linkage was determined by NOE-correlations, for the first time.

66 f interchain interactions, as established by NOE spectroscopy, shows the importance of Phe and Arg in

67 olecular dynamics calculations restrained by NOE and dihedral data obtained from NMR spectroscopy.

68 lecular dynamics calculations, restrained by NOE-based distances and empirical restraints, revealed t

69 ints in two alignment media, supplemented by NOE and 3J coupling data.

70 The C8-HSL conformation is defined by NOEs to the protein only at the terminal methyl group of

71 r sidebands and significantly nonequal (13)C NOE values are examined.

72 of backbone-backbone and backbone-side chain NOEs indicate that the ensemble of structures populated

73 idly disappeared, while the amide side chain NOEs were still readily detectable, corresponding to the

74 From these data, we propose characteristic NOE patterns for the formation of the alpha/gamma-peptid

75 enoids were determined by coupling constant, NOE, and Mosher's analysis.

76 om those previously obtained by conventional NOE spectroscopy and heteronuclear NOE spectroscopy NMR

77 us influenzae, determined with conventional, NOE-based NMR spectroscopy, supplemented by extensive re

78 of studies including X-ray crystallography, NOE measurements, and DFT calculations demonstrate that

79 een 56 and 140 amino acids and published CS, NOE, and RDC data.

80 e crystal X-ray crystallography and detailed NOE studies.

81 ify the utility of transient one-dimensional NOE spectroscopy for obtaining interligand NOEs compared

82 at cannot be attributed to classical dipolar NOE or chemical exchange peaks have been investigated ex

83 Furthermore, the distinctive NOE between the L34 and P36 side chains is preserved.

84 ere directly determined with cross-disulfide NOEs confirming that the oxidation product had the disul

85 , residual dipolar coupling and inter-domain NOE nuclear Overhauser effect data.

86 an intermolecular nuclear Overhauser effect (NOE) between each metallopeptide His imidazole C4 proton

87 iguous long-range nuclear Overhauser effect (NOE) constraints.

88 ifts, plus sparse nuclear Overhauser effect (NOE) data if available.

89 experimental NMR nuclear Overhauser effect (NOE) data only.

90 The nuclear Overhauser effect (NOE) has long been used as a selective indicator for int

91 ironments via the nuclear Overhauser effect (NOE) is included in the NMR pulse sequence.

92 shifts and (15)N nuclear Overhauser effect (NOE) patterns of the peptide in complex with dioctanoylp

93 analogous to the nuclear Overhauser effect (NOE) routinely used in solution NMR.

94 Nuclear Overhauser effect (NOE) spectroscopy experiments and analysis of C(alpha)H

95 Nuclear Overhauser effect (NOE) spectroscopy revealed a number of intermolecular cl

96 s is equal to the nuclear Overhauser effect (NOE) where typically continuous saturation of (1)H by ra

97 hemical shift and nuclear Overhauser effect (NOE)-based methods.

98 ID1) based on 670 nuclear Overhauser effect (NOE)-derived distance restraints, 12 hydrogen bonds, and

99 d by a (1)H-(31)P nuclear Overhauser effect (NOE).

100 and heteronuclear nuclear Overhauser effect (NOE)] measured at two temperatures (29 and 34 degrees C)

101 f intermolecular nuclear Overhauser effects (NOE) and their assignments, which are difficult to obtai

102 hift indices and nuclear Overhauser effects (NOE) confirmed helices in the presence of membrane mimic

103 ndices (CSI) and nuclear Overhauser effects (NOE) with 600 MHz NMR and CD confirmed helical structure

104 is based on 2813 nuclear Overhauser effects (NOEs) and has an average RMSD to the mean structure of 0

105 uclear (1)H-(1)H nuclear Overhauser effects (NOEs) and heteronuclear (1)H-(15)N NOEs if the paramagne

106 nd heteronuclear nuclear Overhauser effects (NOEs) for sugar and base nuclei, as well as the power de

107 4 intermolecular nuclear Overhauser effects (NOEs) identify the 5'-ApG and 5'-GpT steps as the princi

108 d intermolecular nuclear Overhauser effects (NOEs) indicate the presence of at least three binding si

109 s based on 1H-1H nuclear Overhauser effects (NOEs), hydrogen-bonding networks, 3J(HNHA) coupling cons

110 and protein-DPC nuclear Overhauser effects (NOEs), we define portions of the growth inhibitor likely

111 d protein-ligand nuclear Overhauser effects (NOEs).

112 J couplings, and nuclear Overhauser effects (NOEs)] are expected.

113 OESY crosspeaks [nuclear Overhauser effects (NOEs)], and residual dipolar couplings (RDCs), but use o

114 As temperature rose, the end-to-end NOEs rapidly disappeared, while the amide side chain NOE

115 bzero temperatures in capillaries to enhance NOE and provide more complete spin systems.

116 gh both (1)H nuclear Overhauser enhancement (NOE) and paramagnetic relaxation enhancement (PRE) techn

117 ved from NMR nuclear Overhauser enhancement (NOE) data to predict protein structures at low-to-medium

118 using sparse nuclear Overhauser enhancement (NOE) distance restraints involving only NH and methyl gr

119 eteronuclear nuclear Overhauser enhancement (NOE) measurements.

120 R1, R2 and nuclear Overhauser enhancement (NOE) values are similar in Abeta40 and Abeta42, except a

121 eteronuclear nuclear Overhauser enhancement (NOE), spin-lattice (R(1)), and spin-spin (R(2)) (13)C re

122 ermolecular nuclear Overhauser enhancements (NOEs) and chemical shift perturbations.

123 ermolecular nuclear Overhauser enhancements (NOEs) are extremely weak; most have 5- to 6-A upper boun

124 in the two allene oxides (and the equivalent NOE experiment in 12,13-epoxy allene oxides) allowed ass

125 t of the AC inhibitor N-oleoyl-ethanolamine (NOE) on cytotoxicity and ceramide species.

126 in good agreement with the NMR experimental NOE data.

127 t simplification of spectra, and facilitates NOE assignments.

128 ances, whereas the C-terminal half had fewer NOE cross-peaks and less chemical shift dispersion.

129 From NOE experiments we provide direct evidence for the prese

130 which were compared to those calculated from NOE measurements, yielding the relative stereochemistrie

131 ination geometry of GaSz was determined from NOE contacts to be cis-cis with respect to the two chela

132 Further NOE analysis provided a unique pyrrole binding motif, of

133 3)C-(2)H distance measurements and (1)H-(1)H NOE cross peaks indicate that the adamantane moiety of t

134 In one case, (1)H-(1)H NOE enhancements of a [1 + 1] assembled structure demons

135 ta, no difference in steady-state (15)N-(1)H NOE enhancements were measured.

136 restrained by distances derived from 24 (1)H NOEs between IQ and DNA, and torsion angles derived from

137 (1)H NOEs between the butadiene moiety and the DNA positioned

138 chemical shifts, J couplings, and (1)H-(1)H NOEs.

139 ate between models, we resorted to (1)H,(1)H NOEs.

140 e constants, R(1) and R(2), and (15)N-[(1)H] NOE indicated restricted internal motions in the helical

141 ants, R(1) and R(2), and on the (15)N-[(1)H] NOE.

142 ansverse relaxation (T(2)), and (15)N-{(1)H} NOE data were collected at low protein concentrations (<

143 study [(1)H and (13)C T(1), T(2); (13)C{(1)H}NOE; various fields and temperatures] which reveals prof

144 R1, R2, (15)N-{(1)H}NOEs, and relaxation dispersion NMR experiments were mea

145 , followed by an intense X(6) H8 to X(6) H1' NOE.

146 Simultaneously, the X(6) H8 to X(6) H3' NOE was weak.

147 ed from inspection of intraresidual (H1',H6) NOE cross-peaks.

148 (1)H NMR revealed a weak C(5) H1' to X(6) H8 NOE, followed by an intense X(6) H8 to X(6) H1' NOE.

149 h2(DTolF)2{d(ApA)} is indicated by the H8/H8 NOE cross-peaks in the 2D ROESY NMR spectrum, whereas th

150 fting of protons located within the helices, NOE enhancements between protons oriented toward the hel

151 analyzed using R(1), R(2), and heteronuclear NOE experiments, variable temperature TROSY 2D [(1)H-(15

152 R(1) and R(2), relaxation and heteronuclear NOE measurements showed that the protein is disordered i

153 ventional NOE spectroscopy and heteronuclear NOE spectroscopy NMR experiments.

154 The low (15) N-{(1) H} heteronuclear NOE values (</=0.4), the close to zero values for the re

155 In contrast, (15)N{(1)H} heteronuclear NOE values for the N-terminal subdomain are consistent w

156 , i + 1) NOEs, and (15)N{(1)H} heteronuclear NOE values show that the C-terminal subdomain (residues

157 The (1)H/(15)N heteronuclear NOE values for residues 1-25 are significantly lower tha

158 15)N R 1, R 2) and (1)H- (15)N heteronuclear NOE values indicated that HscB is rigid along its entire

159 axation times and {(1)H}-(15)N heteronuclear NOEs, reveal residue flexibility at the active site that

160 s, and by measuring (1)H-(15)N heteronuclear NOEs, which are all consistent with an unfolded protein.

161 s also have small but positive heteronuclear NOEs, interresidue d(NN) NOEs, and small but significant

162 the system and the difficulty in identifying NOE interactions across protein interfaces.

163 ncreased AC RNA expression; the AC inhibitor NOE enhanced 4-HPR-induced ceramide species increase and

164 ol based on NMR-derived interligand INPHARMA NOEs to guide the selection of computationally generated

165 Interligand NOE (ilNOE) detected in the diffusion analysis of a prot

166 ucture-activity relationships by interligand NOE) we were able to identify two chemical fragments tha

167 l NOE spectroscopy for obtaining interligand NOEs compared with traditional steady state two-dimensio

168 s have been synthesized based on interligand NOEs between TLM and a pantetheine analog when both are

169 and experimental data, in which interligand NOEs represent the key element in the rescoring algorith

170 nt work, we have used 1H{19F} intermolecular NOE experiments to examine interactions of hexafluoro-2-

171 as well as arginines, showed intermolecular NOE cross-peaks with D8PG, providing direct evidence for

172 ed S100B was calculated using intermolecular NOE data between S100B and the drug, and indicates that

173 d was generated using only 21 intermolecular NOEs, which uniquely defined both the binding site and t

174 NA upon complex formation and intermolecular NOEs between DDI and the bulged DNA duplex indicate that

175 om chemical shift changes and intermolecular NOEs between the ligand and the oligonucleotides.

176 ay coordinates using RDCs and intermolecular NOEs provided a time-averaged orientation in solution di

177 amagnetic line broadening and intermolecular NOEs to Co(NH(3))(6)(3+).

178 3J(HNHA) coupling constants, intermolecular NOEs, and residual dipolar (NH) couplings.

179 consistent with experimental intermolecular NOEs, although many conformational sub-states coexist an

180 been located, assignments of intermolecular NOEs become possible even without prior resonance assign

181 -binding site on the basis of intermolecular NOEs between unlabeled phenylalanine and isotopically la

182 cular NOEs and ligand-protein intermolecular NOEs as well as a previously known receptor structure or

183 h a systematic lack of strong intermolecular NOEs could suggest that the p53/S100B(betabeta) interfac

184 ructure was carried out using intermolecular NOEs.

185 About 25 internal NOE contacts distinguish the inhibitor-free solution str

186 xperimentally measured ligand intramolecular NOEs and ligand-protein intermolecular NOEs as well as a

187 restrained molecular dynamics and iterative NOE refinement.

188 cted and observed patterns of protein-ligand NOEs are matched and scored using a fast, deterministic

189 to 2F, the pattern of observed peptide-lipid NOEs is consistent with a parallel orientation of the am

190 of unphosphorylated PLB, with slightly lower NOE values in the transmembrane domain, reflecting less

191 trahigh field allowed increasing the maximal NOE enhancement, resulting in a high number of distance

192 h applied to (15)N R1, R2 , and {(1)H}-(15)N NOE data.

193 The steady-state {(1)H}-(15)N NOE experiment is used in most common NMR analyses of ba

194 ion rate R(2), and steady-state {(1)H}-(15)N NOE of the backbone amide group at three different magne

195 effects (NOEs) and heteronuclear (1)H-(15)N NOEs if the paramagnetic contribution to the longitudina

196 , residual dipolar couplings, and (1)H-(15)N NOEs, we have optimized and validated the conformational

197 In addition, 1H NMR NOE studies and X-ray analysis on the synthetic alkaloid

198 itive heteronuclear NOEs, interresidue d(NN) NOEs, and small but significant protection from solvent

199 e HSQC spectra of the two ACP species and no NOEs are observed for this hydrophobic acyl group.

200 n of the 2-position was assigned by observed NOE interactions with the known stereogenic center at th

201 ctly and simultaneously because the observed NOEs and 13C(alpha) chemical shifts correspond to a dyna

202 correctly predicted over 80% of the observed NOEs for all 4 peptides, while the three-monopole force

203 of MD simulations to reproduce the observed NOEs for the four peptides was further estimated for the

204 The observed NOEs indicate that peptide-fluoro alcohol interactions p

205 available spaces to account for the observed NOEs.

206 nce restraints only, i.e., in the absence of NOE distance restraints.

207 Analyses of NOE intensities involving Y(19) N(2)H indicated that the

208 Comparison of NOE interactions of the epoxy proton at C9 in the two al

209 l assignments stem from the determination of NOE interactions and an X-ray crystallographic analysis

210 positions of 22 were established by means of NOE experiments and CD spectra.

211 on NMR spectroscopy is the limited number of NOE restraints in these systems stemming from extensive

212 The results of NOE NMR experiments for 6, 10, and 14 together with X-ra

213 Analysis of NOEs between the 1,N(2)-epsilondG imidazole and deoxyrib

214 olvated by urea, as indicated by analysis of NOEs between the protein and the solvent.

215 Through the analysis of NOEs involving amide and Ile, Leu, and Val methyl proton

216 roxyl groups were determined on the basis of NOEs, and a previously unknown hydrogen-bonding network

217 nt protected and structured (high density of NOEs, slow H/D exchange).

218 Lack of NOEs and rapid NH exchange for L53AI54A, combined with d

219 rmation allows one to assign the majority of NOEs directly from chemical shifts, which yields accurat

220 Chemical shift analyses and measurement of NOEs detected with a long mixing-time 1H-1H-15N NOESY-HS

221 ll of these compounds show a rich network of NOEs associated with folding and dimerization.

222 lipid headgroup as evidenced by a number of NOEs between 4F and DMPC headgroup protons.

223 ocols, which often require a large number of NOEs, and will likely become increasingly relevant as mo

224 The aminoadipic acid unit shows patterns of NOEs and coupling constants consistent with a well-defin

225 ermined, using the previously defined set of NOEs and the present calculation protocol.

226 ure of the gp41 ectodomain monomer, based on NOE distance restraints and residual dipolar couplings,

227 he analysis of the structure based solely on NOEs and scalar couplings.

228 Structures calculated with only NOE and dihedral restraints exhibit a backbone root-mean

229 various temperatures (alternatively, T(2) or NOE at one temperature) ensures the correct interpretati

230 Our "NOE matching" approach is expected to be widely applicab

231 The interbase-pair NOEs allowed definition of the hydrogen-bonded structure

232 inimal set of intraligand and ligand-protein NOEs, respectively (nuclear Overhauser enhancements).

233 a), (1)H(beta) chemical shifts, amide proton NOEs, and (15)N R(2) relaxation rates were obtained for

234 N-H residual dipolar couplings, amide proton NOEs, and R(2) relaxation rates all indicate that the co

235 hypothesis is also supported by quantitative NOE studies of two encapsulated substrates, which place

236 n the order of several percent, quantitative NOE measurements can be challenging.

237 several unambiguously identified long-range NOE cross-peaks within the loop region and between TM2 a

238 Using long-range NOE-derived restraints, 47 proteins were folded to a RMS

239 xibility in solution and/or fewer long-range NOEs for these regions.

240 However the lack of medium- and long-range NOEs in 3D (15)N- and (13)C-edited spectra, fast amide p

241 arrel was determined based on 133 long-range NOEs observed between neighboring strands and local chem

242 The results here show that CS-RDC-NOE Rosetta is robust and has a high tolerance for misas

243 The CS-RDC-NOE Rosetta program was used to generate the solution st

244 obtained, resulting in progressively reduced NOE coverage as the size of the protein increases.

245 along with 15N-filtered 1H NMR and selective NOE experiments, identified two mixed-cationic intermedi

246 ' sites permits an H5'/H5''-based sequential NOE assignment procedure, complementary to the conventio

247 m coupling constants, amide-amide sequential NOEs, secondary chemical shifts, and various dynamics me

248 RPF scores are quite rapid to compute since NOE assignments and complete relaxation matrix calculati

249 prediction of intermolecular solvent-solute NOEs based on hard (noninteracting) spheres was develope

250 he remainder of the molecule, solute-solvent NOEs are consistent with preferential solvation of the p

251 Determinations of solute-solvent NOEs of 1,3-di-tert-butylbenzene in solvents composed of

252 tructures based on solution-NMR using sparse NOE data combined with selective isotope labeling is pre

253 c systems using only chemical shifts, sparse NOEs, and domain orientation restraints from residual di

254 cle 2b (2b.(t)Bu-NH(2)) by NMR spectroscopy (NOE) revealed a cis-coordination of the amine.

255 y 12 was explored via (1)H NMR spectroscopy, NOE experiments, mass spectrometry, X-ray crystallograph

256 measurements of T1, T1rho, and steady-state NOE at two magnetic field strengths.

257 Temperature-dependent steady-state NOE experiments and NMR R(1) and R(2) relaxation rates c

258 Steady-state NOEs upon saturating the water signal locate nine ordere

259 The N-terminal half showed strong NOE cross-peaks and well-dispersed NMR resonances, where

260 contrast to structure-based protocols, such NOE assignment is not biased toward identifying addition

261 The NOE, amide-NH temperature coefficients, and chemical shi

262 n in the 2F.DMPC complex as evidenced by the NOE between lipid 2.CH and betaCH(2) protons in 4F.DMPC,

263 nuclear spins can dramatically increase the NOE intensity by increasing population differences, but

264 of TM2e in micelles was 14.4 +/- 0.2 ns; the NOE values were greater than 0.63 at 9.4 T, and the orde

265 idual sub-states satisfy only subsets of the NOE restraints.

266 nificantly large number of violations of the NOE-based distance restraints for a distance range </= 0

267 ongitudinal relaxation does not suppress the NOE intensities in the real experiment.

268 s facilitated by spin diffusion and that the NOE difference can be assigned to a higher water content

269 d-state NMR experiments we conclude that the NOE is facilitated by spin diffusion and that the NOE di

270 e identified protons automatically yield the NOE assignments, which in turn are used for structure ca

271 The NOEs observed indicate that fluoroalcohol and water mole

272 bonded secondary structure inferred from the NOEs is, however, not sufficient to confer significant p

273 The nature of the NOEs leads us to propose a H-bond between the proximally

274 These NOEs are absent in the 2F.DMPC complex.

275 S P-phenyl ring of 5 was ascertained through NOE measurements.

276 NMR data, through NOE and chemical shift analysis, suggest the presence of

277 plings (RDCs) provide a useful complement to NOE data in that they provide orientational constraints

278 site due to buildup of exchange-transferred NOE (trNOE) on the diffusion time scale of the experimen

279 MR spectroscopic measurements of transferred NOE's (trNOE's), of T(1)'s, and of T(1)'s in the rotatin

280 N-1H of ImmH by using saturation-transferred NOE measurements on the PNP.ImmH complex.

281 The transferred NOE NMR structure of the G(t)alpha(340-350) peptide boun

282 2D 1H NMR experiments using the transferred NOE technique.

283 egeneracies reduce the number of unambiguous NOE assignments that can be readily obtained, resulting

284 minor conformation characterized by unusual NOEs between T(4) and (AFB)G(6).

285 s were obtained by simulated annealing using NOE-derived distance restraints, and the NMR spectra of

286 d at determining protein structures by using NOE-derived distance constraints together with observed

287 d at determining protein structures by using NOE-derived distance constraints together with observed

288 ma-butyrolactones has been established using NOE spectroscopy, which revealed that 1-substituted, 1,1

289 al stems are experimentally identified using NOE and trans-hydrogen bond connectivity and modeled usi

290 s; a structural model has been refined using NOE-restrained molecular dynamics.

291 Structural refinement using NOE distance restraints obtained from isotope-edited (15

292 e refined by a simple routine, without using NOE-based distance restraints.

293 crystal structure, we find much larger water NOEs to the 6- than 7-propionate, suggesting that water

294 signals, enabling the identification of weak NOE crosspeaks with intensities 100x less than those of

295 3C(aromatic)-resolved [1H,1H]-NOESY, wherein NOEs detected on aromatic protons are also obtained.

296 dimensional trNOESY experiments coupled with NOE restrained simulated annealing calculations were use

297 e (1)H/(31)P dipolar HETCOR experiments with NOE mixing differ from those previously obtained by conv

298 nal (1)H/(13)C INEPT HETCOR experiments with NOE mixing support the (1)H/(31)P dipolar HETCOR results

299 internal motions in the helical region with NOE values between 0.6 and 0.8.

300 in conformation, including 18 residues with NOE contacts unique to inhibitor-free MMP-12.