============================================================================= 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 ============================================================================= 2z9iF1 SER 407 HA 0.00 -0.11 0.22 -0.75 4.49 3.85 2z9iF1 SER 407 HB2 0.00 -0.01 0.06 -0.04 3.95 3.96 2z9iF1 SER 407 HB3 0.00 0.02 0.13 -0.04 3.93 4.04 2z9iF1 VAL 408 H 0.00 0.06 0.09 -0.55 8.24 7.84 2z9iF1 VAL 408 HA 0.00 -0.05 0.42 -0.75 4.13 3.75 2z9iF1 VAL 408 HB 0.00 0.06 0.01 -0.04 2.12 2.15 2z9iF1 VAL 408 HG13 0.00 -0.00 -0.10 -0.04 0.97 0.82 2z9iF1 VAL 408 HG23 0.00 -0.01 -0.01 -0.04 0.95 0.89 2z9iF1 GLU 409 H 0.00 0.08 0.09 -0.55 8.60 8.22 2z9iF1 GLU 409 HA 0.00 0.16 0.85 -0.75 4.29 4.55 2z9iF1 GLU 409 HB2 0.00 -0.04 0.08 -0.04 2.09 2.08 2z9iF1 GLU 409 HB3 0.00 0.04 -0.06 -0.04 1.99 1.92 2z9iF1 GLU 409 HG2 0.00 -0.08 -0.07 -0.04 2.34 2.15 2z9iF1 GLU 409 HG3 0.00 0.21 -0.40 -0.04 2.34 2.11 2z9iF1 GLN 410 H 0.00 0.11 0.14 -0.55 8.47 8.18 2z9iF1 GLN 410 HA 0.00 0.19 0.53 -0.75 4.36 4.33 2z9iF1 GLN 410 HB2 0.00 0.03 0.09 -0.04 2.15 2.22 2z9iF1 GLN 410 HB3 0.00 -0.10 0.11 -0.04 2.02 1.99 2z9iF1 GLN 410 HG2 0.00 -0.00 -0.02 -0.04 2.40 2.33 2z9iF1 GLN 410 HG3 0.00 0.02 -0.22 -0.04 2.39 2.15 2z9iF1 GLN 410 HE21 0.00 0.01 -0.01 -0.04 6.97 6.92 2z9iF1 GLN 410 HE22 0.00 0.01 -0.03 -0.04 7.69 7.63 2z9iF1 VAL 411 H 0.00 0.08 0.06 -0.55 8.24 7.83 2z9iF1 VAL 411 HA 0.00 0.19 0.53 -0.75 4.13 4.09 2z9iF1 VAL 411 HB 0.00 0.01 0.06 -0.04 2.12 2.15 2z9iF1 VAL 411 HG13 0.00 0.02 -0.20 -0.04 0.97 0.75 2z9iF1 VAL 411 HG23 0.00 -0.00 -0.01 -0.04 0.95 0.90