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. 2022 Mar 26;126(13):2538–2551. doi: 10.1021/acs.jpcb.2c00052

Table 3. Components of the Evolution of the Transverse Magnetization at Inline graphic MHza.

  R (1/s) 1/4(4Δ2 – J1,1 (ω0)2)1/2 (1000/s) 1/8[L1,10) + 2L2,2(2ω0)] (1/s)
1st h.l. all 0.86 ± 0.01   0.038 ± 0.003
1st h.l., intra 0.46 ± 0.01   0.021–0.003+0.004
1st h.l., inter 0.229 ± 0.002   0.0065 ± 0.0001
1st h.l., pept. H 0.186 ± 0.002   0.0150 ± 0.0005
2nd h.l. all 0.361 ± 0.004   0.0056 ± 0.0004
2nd h.l., intra 0.169–0.002+0.003   0.0013–0.0001+0.0002
2nd h.l., inter 0.1757–0.0010+0.0009   0.00358 ± 0.00005
2nd h.l., pept. H 0.0202–0.0004+0.0005   0.00176–0.00010+0.00014
water intra 0.1469 ± 0.0007 0.8 ± 0.1 0.00087 ± 0.00002
water inter 0.1044–0.0002+0.0003 4.7 ± 0.1 0.001611 ± 0.000009
water, pept. H 0.00598 ± 0.00007 7.82 ± 0.08 0.00054 ± 0.00002
a

Errors represent 95% confidence intervals computed with the bootstrap method. See section 4.1 for an explanation of the labels. The oscillation factor 1/4(4Δ2J1,10)2)1/2 is reported only for all water molecules, since the same secular RDC values (Δ/3) were used for the analysis of the hydration layers. See section 4.1 for discussion.