============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 2 rings ring int. center anis. iso. TRP 4 1.040 30.069 21.617 19.517 -99.200 -91.000 TRP6 4 1.020 28.926 23.592 19.960 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dg0A17 CYS 2 HA -0.09 -0.00 0.11 -0.75 4.58 3.84 1dg0A17 CYS 2 HB2 -0.05 -0.01 -0.05 -0.04 2.97 2.81 1dg0A17 CYS 2 HB3 -0.08 0.03 -0.26 -0.04 2.97 2.62 1dg0A17 GLN 5 H -0.29 0.35 0.07 -0.55 8.47 8.05 1dg0A17 GLN 5 HA -0.31 -0.02 0.25 -0.75 4.36 3.53 1dg0A17 GLN 5 HB2 -1.07 0.04 0.13 -0.04 2.15 1.20 1dg0A17 GLN 5 HB3 -2.60 -0.12 -0.04 -0.04 2.02 -0.79 1dg0A17 GLN 5 HG2 -1.22 -0.01 0.03 -0.04 2.40 1.16 1dg0A17 GLN 5 HG3 -0.69 -0.00 0.05 -0.04 2.39 1.70 1dg0A17 GLN 5 HE21 -0.14 -0.00 0.06 -0.04 6.97 6.85 1dg0A17 GLN 5 HE22 -0.11 -0.00 0.03 -0.04 7.69 7.57 1dg0A17 PRO 6 HA -0.04 0.14 0.20 -0.51 4.44 4.22 1dg0A17 PRO 6 HB2 0.08 0.03 0.14 -0.04 2.28 2.49 1dg0A17 PRO 6 HB3 0.02 0.03 0.09 -0.04 2.02 2.11 1dg0A17 PRO 6 HG2 0.16 0.04 0.02 -0.04 2.03 2.20 1dg0A17 PRO 6 HG3 0.07 0.04 0.06 -0.04 2.03 2.16 1dg0A17 PRO 6 HD2 0.33 0.10 0.06 -0.04 3.68 4.13 1dg0A17 PRO 6 HD3 0.01 0.13 0.19 -0.04 3.65 3.95 1dg0A17 TRP 7 H -0.23 0.09 -1.27 -0.55 7.97 6.02 1dg0A17 TRP 7 HA 0.00 0.21 0.63 -0.75 4.62 4.71 1dg0A17 TRP 7 HB2 0.00 0.01 0.01 -0.04 3.23 3.22 1dg0A17 TRP 7 HB3 0.00 -0.01 -0.16 -0.04 3.23 3.02 1dg0A17 TRP 7 HD1 0.00 0.01 -0.00 -0.04 7.22 7.19 1dg0A17 TRP 7 HE1 0.00 -0.00 -0.00 -0.04 10.20 10.15 1dg0A17 TRP 7 HE3 0.00 -0.03 -0.14 -0.04 7.59 7.39 1dg0A17 TRP 7 HZ2 0.00 0.00 0.00 -0.04 7.44 7.40 1dg0A17 TRP 7 HZ3 0.00 0.00 -0.01 -0.04 7.13 7.09 1dg0A17 TRP 7 HH2 0.00 0.00 0.00 -0.04 7.19 7.16