============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 2 rings ring int. center anis. iso. PHE 4 1.000 -11.780 45.454 73.452 -99.200 -91.000 TYR 5 0.840 -19.506 45.345 69.832 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1z9oG1 GLU 473 HA -0.01 -0.03 0.20 -0.75 4.29 3.70 1z9oG1 GLU 473 HB2 -0.00 -0.06 0.07 -0.04 2.09 2.05 1z9oG1 GLU 473 HB3 -0.01 -0.01 -0.01 -0.04 1.99 1.92 1z9oG1 GLU 473 HG2 0.00 0.00 0.03 -0.04 2.34 2.33 1z9oG1 GLU 473 HG3 0.00 -0.00 0.03 -0.04 2.34 2.34 1z9oG1 ASP 474 H -0.01 0.11 0.06 -0.55 8.40 8.02 1z9oG1 ASP 474 HA -0.15 -0.02 0.32 -0.75 4.63 4.03 1z9oG1 ASP 474 HB2 -0.06 -0.00 0.12 -0.04 2.71 2.73 1z9oG1 ASP 474 HB3 -0.47 0.01 -0.02 -0.04 2.70 2.19 1z9oG1 GLU 475 H -0.17 0.14 0.18 -0.55 8.60 8.21 1z9oG1 GLU 475 HA -0.14 0.13 0.73 -0.75 4.29 4.26 1z9oG1 GLU 475 HB2 -0.02 -0.05 0.17 -0.04 2.09 2.15 1z9oG1 GLU 475 HB3 -0.27 0.02 0.01 -0.04 1.99 1.71 1z9oG1 GLU 475 HG2 -0.04 0.04 -0.03 -0.04 2.34 2.26 1z9oG1 GLU 475 HG3 -0.03 0.14 0.00 -0.04 2.34 2.41 1z9oG1 PHE 476 H 0.01 0.19 0.06 -0.55 8.34 8.05 1z9oG1 PHE 476 HA -0.11 0.10 0.75 -0.75 4.62 4.61 1z9oG1 PHE 476 HB2 -0.12 -0.01 0.09 -0.04 3.15 3.07 1z9oG1 PHE 476 HB3 -0.08 0.03 -0.05 -0.04 3.06 2.93 1z9oG1 PHE 476 HD2 -0.04 0.05 -0.03 -0.04 7.28 7.21 1z9oG1 PHE 476 HE2 -0.01 0.01 -0.04 -0.04 7.38 7.30 1z9oG1 PHE 476 HZ -0.01 -0.01 -0.03 -0.04 7.32 7.22 1z9oG1 TYR 477 H 0.13 0.18 0.14 -0.55 8.29 8.19 1z9oG1 TYR 477 HA 0.06 0.12 0.78 -0.75 4.56 4.76 1z9oG1 TYR 477 HB2 0.02 -0.02 -0.01 -0.04 3.06 3.01 1z9oG1 TYR 477 HB3 0.02 0.06 -0.01 -0.04 2.98 3.01 1z9oG1 TYR 477 HD2 -0.01 -0.01 -0.02 -0.04 7.15 7.07 1z9oG1 TYR 477 HE2 -0.02 0.00 -0.05 -0.04 6.85 6.75 1z9oG1 ASP 478 H 0.13 0.10 0.09 -0.55 8.40 8.17 1z9oG1 ASP 478 HA 0.07 -0.01 0.49 -0.75 4.63 4.42 1z9oG1 ASP 478 HB2 0.08 -0.03 0.13 -0.04 2.71 2.84 1z9oG1 ASP 478 HB3 0.05 0.11 0.02 -0.04 2.70 2.84 1z9oG1 ALA 479 H 0.06 0.06 0.20 -0.55 8.40 8.17 1z9oG1 ALA 479 HA 0.06 0.04 0.57 -0.75 4.34 4.26 1z9oG1 ALA 479 HB3 0.05 0.01 0.11 -0.04 1.41 1.54 1z9oG1 LEU 480 H 0.03 0.11 0.17 -0.55 8.37 8.13 1z9oG1 LEU 480 HA 0.02 0.15 0.86 -0.75 4.35 4.62 1z9oG1 LEU 480 HB2 0.02 -0.04 0.13 -0.04 1.64 1.71 1z9oG1 LEU 480 HB3 0.01 0.09 -0.00 -0.04 1.64 1.70 1z9oG1 LEU 480 HG 0.01 -0.01 0.01 -0.04 1.64 1.61 1z9oG1 LEU 480 HD13 0.03 0.02 -0.21 -0.04 0.93 0.73 1z9oG1 LEU 480 HD23 0.00 -0.01 0.01 -0.04 0.89 0.85 1z9oG1 SER 481 H 0.01 0.11 0.04 -0.55 8.46 8.07 1z9oG1 SER 481 HA 0.01 0.23 0.59 -0.75 4.49 4.57 1z9oG1 SER 481 HB2 0.01 0.03 0.03 -0.04 3.95 3.97 1z9oG1 SER 481 HB3 0.01 0.04 -0.08 -0.04 3.93 3.86