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1 cted via restrained molecular dynamics using interproton distance (nuclear Overhauser enhancement) an
2                                              Interproton distance and deoxyribose ring torsion angle
3 n determined using an MD protocol where both interproton distance and dihedral angle restraints deduc
4 mely experimental NOE-derived intermolecular interproton distance and dipolar coupling restraints, an
5 nsitive to local geometry, in particular the interproton distance and the (13)C-(1)H-(1)H internuclea
6 ined molecular dynamics based on NMR-derived interproton distance and torsion angle constraints.
7                                              Interproton distance bounds were calculated very conserv
8 monuclear NMR experiments, and the resulting interproton distance constraints were used to generate e
9 difficult problem since the density of short interproton distance contacts is relatively low and limi
10 eaks d(alphaN), d(NN), and d(betaN) provided interproton distance information, and vicinal spin-spin
11  In addition, with the increased accuracy of interproton distance measurements afforded by the comple
12 ble to improve the accuracy and precision of interproton distance measurements used as input for NMR
13 e 20 convergent structures from a set of 227 interproton distance restraints and 13 torsion angle mea
14 tion matrix methods for the determination of interproton distance restraints and a combination of dis
15 ng overlapping (1)H NMR signals, determining interproton distance restraints and interhelical orienta
16 e 23 convergent structures from a set of 302 interproton distance restraints and two torsion angle me
17 thod, CLOUDS, relies on precise and abundant interproton distance restraints calculated via a relaxat
18 ocol, and restrained by a combination of 338 interproton distance restraints obtained from (1)H NOESY
19 lved NOESY spectra, yielding a total of 3335 interproton distance restraints or 26 restraints/residue
20                                        These interproton distance restraints were determined using a
21 R restraints, consisting of 2409 approximate interproton distance restraints, 84 distance restraints
22 using DSPACE with a total of 609 NOE-derived interproton distance restraints, including 22 intraresid
23 btain 1H, 15N and 13C resonance assignments, interproton-distance and torsion-angle restraints, and r
24                               A total of 927 interproton distances and 123 torsion angle constraints
25           Variations in calculated values of interproton distances and sixth-root R factor analysis o
26                               The calculated interproton distances and sugar puckers have been analyz
27 erhauser effect crosspeak intensity provided interproton distances and the torsion angles were measur
28 ined molecular dynamics based on NMR-derived interproton distances and torsion angle constraints.
29 es derived from these spectra, together with interproton distances calculated from the crystal struct
30                                As base-sugar interproton distances depend on both sugar pucker and gl
31           These distances, together with the interproton distances determined previously from TRNOESY
32                       Detailed comparison of interproton distances from each hybrid indicates that th
33           A constraint set consisting of 396 interproton distances from NOE data was used as input fo
34 ow is the unique application of quantitative interproton distances obtained from the rotating frame O
35         Nearly all of the expected peaks for interproton distances under 5 A were observed.
36 s were used to assign proton resonances, and interproton distances were estimated from the observed n
37                       A total of 253 and 221 interproton distances were obtained from relaxation matr
38                    Experimentally determined interproton distances were used in a simulated annealing
39 tical model was developed to derive relevant interproton distances which were compared to those calcu
40 tructure of the protein was defined by >2000 interproton distances, 64 (3)JN alpha, and 43 hydrogen-b
41 d from a series of NMR NOESY spectra yielded interproton distances, and COSY experiments provided dih
42         NOESY spectra were used to determine interproton distances, and these distance constraints we
43                               A total of 426 interproton distances, including nine uniquely assigned
44 odeling, employing experimentally determined interproton distances, resulted in two different enzyme-
45          Analysis of intraresidue base-sugar interproton NOE bounds patterns suggests a motional mode
46 olution of steroid-bound isomerase, based on interproton NOE's and differences in chemical shifts of
47                                 The olefinic interproton two-bond coupling constants (2)JH,H of the H