============================================================================= 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 ============================================================================= 2z9iD1 VAL 408 HA 0.00 -0.09 0.21 -0.75 4.13 3.50 2z9iD1 VAL 408 HB 0.00 -0.03 0.03 -0.04 2.12 2.08 2z9iD1 VAL 408 HG13 0.00 0.00 -0.14 -0.04 0.97 0.79 2z9iD1 VAL 408 HG23 0.00 -0.01 0.02 -0.04 0.95 0.92 2z9iD1 GLU 409 H 0.00 0.12 0.10 -0.55 8.60 8.27 2z9iD1 GLU 409 HA 0.00 0.21 0.97 -0.75 4.29 4.72 2z9iD1 GLU 409 HB2 0.00 0.01 0.04 -0.04 2.09 2.10 2z9iD1 GLU 409 HB3 0.00 0.01 -0.13 -0.04 1.99 1.83 2z9iD1 GLU 409 HG2 0.00 -0.06 -0.00 -0.04 2.34 2.23 2z9iD1 GLU 409 HG3 0.00 0.05 -0.33 -0.04 2.34 2.02 2z9iD1 GLN 410 H 0.00 0.12 0.17 -0.55 8.47 8.21 2z9iD1 GLN 410 HA 0.00 0.13 0.60 -0.75 4.36 4.33 2z9iD1 GLN 410 HB2 0.00 0.02 0.10 -0.04 2.15 2.22 2z9iD1 GLN 410 HB3 0.00 -0.05 0.09 -0.04 2.02 2.02 2z9iD1 GLN 410 HG2 0.00 0.03 -0.06 -0.04 2.40 2.33 2z9iD1 GLN 410 HG3 0.00 0.00 -0.05 -0.04 2.39 2.30 2z9iD1 GLN 410 HE21 0.00 0.00 -0.00 -0.04 6.97 6.93 2z9iD1 GLN 410 HE22 0.00 -0.00 -0.01 -0.04 7.69 7.64 2z9iD1 VAL 411 H 0.00 0.09 0.07 -0.55 8.24 7.86 2z9iD1 VAL 411 HA 0.00 0.29 0.82 -0.75 4.13 4.48 2z9iD1 VAL 411 HB 0.00 0.00 0.06 -0.04 2.12 2.14 2z9iD1 VAL 411 HG13 0.00 0.03 -0.24 -0.04 0.97 0.72 2z9iD1 VAL 411 HG23 0.00 0.00 0.02 -0.04 0.95 0.93