============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. TYR 3 0.840 56.651 -30.784 32.359 -99.200 -91.000 PHE 4 1.000 46.315 -30.505 29.109 -99.200 -91.000 HIS 8 0.900 43.416 -23.802 21.032 -99.200 -91.000 PHE 35 1.000 59.133 -27.593 21.306 -99.200 -91.000 PHE 40 1.000 53.894 -20.964 23.704 -99.200 -91.000 PHE 49 1.000 46.725 -22.103 5.082 -99.200 -91.000 TYR 55 0.840 39.691 -13.872 -1.740 -99.200 -91.000 TYR 66 0.840 42.378 -11.022 3.450 -99.200 -91.000 HIS 68 0.900 44.604 -11.817 11.123 -99.200 -91.000 TYR 118 0.840 42.055 -22.864 27.490 -99.200 -91.000