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. 2019 Aug 6;10:3537. doi: 10.1038/s41467-019-11469-2

Table 1.

RMSD values of chemical shifts for l-histidinea

1H (ppm) 13C (ppm) 15N (ppm) Energy (Ry)
LH1 0.63 3.29 6.39 − 810.855
LH2 2.87 7.68 15.44 − 810.648
LH3 2.88 4.06 8.23 − 810.753
LH4 2.93 9.39 5.69 − 810.772

aThe RMSD values were obtained between the SSNMR experimental and GIPAW-calculated isotropic chemical shifts. All the chemical shifts are listed in Supplementary Table 5