============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 0 rings ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z9iE1 VAL 408 HA 0.00 -0.03 0.06 -0.75 4.13 3.41 2z9iE1 VAL 408 HB 0.00 -0.07 0.06 -0.04 2.12 2.07 2z9iE1 VAL 408 HG13 0.00 0.00 0.01 -0.04 0.97 0.94 2z9iE1 VAL 408 HG23 0.00 -0.01 -0.17 -0.04 0.95 0.73 2z9iE1 GLU 409 H 0.00 0.16 0.01 -0.55 8.60 8.23 2z9iE1 GLU 409 HA 0.00 0.07 0.59 -0.75 4.29 4.20 2z9iE1 GLU 409 HB2 0.00 0.03 0.10 -0.04 2.09 2.18 2z9iE1 GLU 409 HB3 0.00 -0.07 0.13 -0.04 1.99 2.01 2z9iE1 GLU 409 HG2 0.00 0.14 -0.10 -0.04 2.34 2.35 2z9iE1 GLU 409 HG3 0.00 -0.00 0.04 -0.04 2.34 2.34 2z9iE1 GLN 410 H 0.00 0.14 -0.02 -0.55 8.47 8.04 2z9iE1 GLN 410 HA 0.00 0.02 0.43 -0.75 4.36 4.06 2z9iE1 GLN 410 HB2 0.00 0.02 -0.00 -0.04 2.15 2.13 2z9iE1 GLN 410 HB3 0.00 -0.04 0.06 -0.04 2.02 2.01 2z9iE1 GLN 410 HG2 0.00 0.01 0.04 -0.04 2.40 2.41 2z9iE1 GLN 410 HG3 0.00 0.02 0.03 -0.04 2.39 2.41 2z9iE1 GLN 410 HE21 0.00 0.00 0.00 -0.04 6.97 6.93 2z9iE1 GLN 410 HE22 0.00 -0.00 -0.00 -0.04 7.69 7.65 2z9iE1 VAL 411 H 0.00 0.05 0.06 -0.55 8.24 7.80 2z9iE1 VAL 411 HA 0.00 0.19 0.55 -0.75 4.13 4.11 2z9iE1 VAL 411 HB 0.00 -0.02 0.04 -0.04 2.12 2.10 2z9iE1 VAL 411 HG13 0.00 0.12 -0.22 -0.04 0.97 0.82 2z9iE1 VAL 411 HG23 0.00 -0.01 0.02 -0.04 0.95 0.92