============================================================================= 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 ============================================================================= 2fooB1 GLU 358 HA 0.00 -0.07 0.19 -0.75 4.29 3.65 2fooB1 GLU 358 HB2 0.00 0.01 -0.02 -0.04 2.09 2.04 2fooB1 GLU 358 HB3 0.00 0.00 0.07 -0.04 1.99 2.02 2fooB1 GLU 358 HG2 0.00 -0.02 0.02 -0.04 2.34 2.30 2fooB1 GLU 358 HG3 0.00 -0.03 0.05 -0.04 2.34 2.32 2fooB1 PRO 359 HA 0.00 0.06 0.44 -0.51 4.44 4.43 2fooB1 PRO 359 HB2 0.00 0.01 0.03 -0.04 2.28 2.28 2fooB1 PRO 359 HB3 0.00 -0.00 0.11 -0.04 2.02 2.09 2fooB1 PRO 359 HG2 0.00 0.02 0.00 -0.04 2.03 2.01 2fooB1 PRO 359 HG3 0.00 0.00 0.05 -0.04 2.03 2.04 2fooB1 PRO 359 HD2 0.00 0.08 0.17 -0.04 3.68 3.89 2fooB1 PRO 359 HD3 0.00 0.09 0.14 -0.04 3.65 3.84 2fooB1 GLY 360 H 0.00 0.27 0.23 -0.55 8.43 8.38 2fooB1 GLY 360 HA2 0.00 0.01 0.37 -0.51 4.01 3.88 2fooB1 GLY 360 HA3 0.00 0.13 0.38 -0.51 4.01 4.02 2fooB1 GLY 361 H 0.00 0.12 0.13 -0.55 8.43 8.14 2fooB1 GLY 361 HA2 0.00 0.10 0.59 -0.51 4.01 4.19 2fooB1 GLY 361 HA3 0.00 0.01 0.34 -0.51 4.01 3.84 2fooB1 SER 362 H 0.00 0.10 0.16 -0.55 8.46 8.17 2fooB1 SER 362 HA 0.00 0.18 0.47 -0.75 4.49 4.39 2fooB1 SER 362 HB2 0.00 0.03 0.06 -0.04 3.95 4.00 2fooB1 SER 362 HB3 0.00 0.02 0.11 -0.04 3.93 4.03 2fooB1 ARG 363 H 0.00 0.03 -0.18 -0.55 8.46 7.76 2fooB1 ARG 363 HA 0.00 0.21 0.43 -0.75 4.34 4.22 2fooB1 ARG 363 HB2 0.00 -0.01 0.04 -0.04 1.90 1.89 2fooB1 ARG 363 HB3 0.00 0.05 0.04 -0.04 1.80 1.85 2fooB1 ARG 363 HG2 0.00 0.05 -0.06 -0.04 1.67 1.63 2fooB1 ARG 363 HG3 0.00 -0.09 -0.01 -0.04 1.67 1.53 2fooB1 ARG 363 HD2 0.00 -0.00 0.01 -0.04 3.22 3.19 2fooB1 ARG 363 HD3 0.00 0.03 0.00 -0.04 3.22 3.21