============================================================================= 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 ============================================================================= 1n4sN1 CYS 208 HA 0.00 -0.08 0.23 -0.75 4.58 3.98 1n4sN1 CYS 208 HB2 0.00 0.07 0.05 -0.04 2.97 3.05 1n4sN1 CYS 208 HB3 0.00 -0.11 0.05 -0.04 2.97 2.87 1n4sN1 VAL 209 H 0.00 0.11 0.09 -0.55 8.24 7.89 1n4sN1 VAL 209 HA 0.00 0.15 0.41 -0.75 4.13 3.93 1n4sN1 VAL 209 HB 0.00 0.03 0.06 -0.04 2.12 2.17 1n4sN1 VAL 209 HG13 0.00 0.01 0.05 -0.04 0.97 0.99 1n4sN1 VAL 209 HG23 0.00 -0.00 0.04 -0.04 0.95 0.94 1n4sN1 ILE 210 H 0.00 0.01 -0.17 -0.55 8.25 7.54 1n4sN1 ILE 210 HA 0.00 0.33 0.98 -0.75 4.18 4.73 1n4sN1 ILE 210 HB 0.00 0.03 0.13 -0.04 1.89 2.01 1n4sN1 ILE 210 HG12 0.00 -0.09 -0.01 -0.04 1.49 1.35 1n4sN1 ILE 210 HG13 0.00 0.05 -0.28 -0.04 1.21 0.94 1n4sN1 ILE 210 HG23 0.00 -0.01 -0.08 -0.04 0.93 0.80 1n4sN1 ILE 210 HD13 0.00 0.00 -0.03 -0.04 0.88 0.81 1n4sN1 LEU 211 H 0.00 0.17 -0.35 -0.55 8.37 7.65 1n4sN1 LEU 211 HA 0.00 0.22 0.55 -0.75 4.35 4.36 1n4sN1 LEU 211 HB2 0.00 -0.04 -0.08 -0.04 1.64 1.48 1n4sN1 LEU 211 HB3 0.00 0.02 0.02 -0.04 1.64 1.64 1n4sN1 LEU 211 HG 0.00 0.02 -0.47 -0.04 1.64 1.15 1n4sN1 LEU 211 HD13 0.00 -0.01 -0.06 -0.04 0.93 0.82 1n4sN1 LEU 211 HD23 0.00 0.01 0.06 -0.04 0.89 0.93