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. Author manuscript; available in PMC: 2013 May 1.
Published in final edited form as: Biopolymers. 2011 Nov 5;97(5):289–302. doi: 10.1002/bip.22004

Table 3.

Calculated relaxation parameters in TIP4P/Ew water at B = 9.4 T. R1, R2 in s−1, τm in ps.)

273K 283K 300K 315K
C-H S2 τm R1 S2 τm R1 S2 τm R1 S2 τm R1
C-H1g 0.93 118 2.28 0.92 105 2.03 0.90 63 1.22 0.79 48 0.86
C-H2g 0.93 125 2.42 0.89 113 2.11 0.91 66 1.28 0.89 46 0.88
C-H3g 0.92 125 2.39 0.86 115 2.10 0.90 65 1.26 0.89 45 0.86
C-H4g 0.91 133 2.51 0.89 112 2.11 0.89 69 1.31 0.88 47 0.90
C-H5g 0.93 127 2.44 0.90 112 2.11 0.90 67 1.30 0.89 46 0.89
C-H3f 0.82 153 2.65 0.90 105 2.00 0.85 68 1.25 0.86 47 0.87
C-H4f 0.84 136 2.38 0.84 107 1.91 0.86 58 1.08 0.82 44 0.79
C-H5f 0.87 150 2.68 0.87 118 2.14 0.88 69 1.30 0.86 50 0.92
C-H6g 0.81 111 1.90 0.81 94 1.61 0.77 58 0.96 0.77 37 0.62
C-H1f 0.83 99 1.75 0.83 83 1.47 0.84 51 0.92 0.81 36 0.63
C-H6f 0.79 92 1.53 0.75 77 1.25 0.75 46 0.76 0.72 34 0.54