============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 41 0.900 19.948-177.560 -13.603 -99.200 -91.000 PHE 46 1.000 30.776-166.463 -1.188 -99.200 -91.000 PHE 56 1.000 27.418-171.091 5.595 -99.200 -91.000 TYR 59 0.840 29.852-177.239 6.192 -99.200 -91.000 TYR 67 0.840 20.951-185.458 -0.981 -99.200 -91.000 TYR 73 0.840 16.428-186.322 -7.469 -99.200 -91.000 PHE 83 1.000 23.547-178.856 4.310 -99.200 -91.000 TYR 98 0.840 30.938-171.102 9.235 -99.200 -91.000 TYR 107 0.840 14.126-173.710 -14.195 -99.200 -91.000 TYR 115 0.840 14.458-170.756 -1.372 -99.200 -91.000 TYR 119 0.840 24.424-162.469 11.854 -99.200 -91.000 TYR 128 0.840 11.622-157.079 -5.476 -99.200 -91.000 HIS 131 0.900 21.564-161.291 2.880 -99.200 -91.000 TYR 133 0.840 24.824-150.276 5.430 -99.200 -91.000 PHE 136 1.000 18.660-149.682 4.845 -99.200 -91.000 TYR 137 0.840 21.775-146.598 -1.230 -99.200 -91.000 PHE 139 1.000 15.063-155.155 -0.422 -99.200 -91.000 HIS 144 0.900 7.924-146.999 -9.657 -99.200 -91.000 HIS 145 0.900 11.346-148.681 -12.102 -99.200 -91.000 TYR 146 0.840 9.625-158.802 -9.635 -99.200 -91.000 PHE 174 1.000 28.878-151.060 -6.705 -99.200 -91.000 PHE 193 1.000 24.742-155.687 -15.555 -99.200 -91.000