============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 5 1.000 -10.716 13.136 9.070 -99.200 -91.000 PHE 8 1.000 -11.830 4.246 5.294 -99.200 -91.000 TYR 10 0.840 -2.412 3.755 -0.542 -99.200 -91.000 PHE 11 1.000 -11.795 2.756 0.511 -99.200 -91.000 TYR 12 0.840 -11.707 5.681 -5.065 -99.200 -91.000 PHE 33 1.000 -8.074 3.676 -18.384 -99.200 -91.000 PHE 37 1.000 -6.946 11.464 -25.777 -99.200 -91.000 TYR 48 0.840 0.684 7.675 0.576 -99.200 -91.000 PHE 53 1.000 9.104 7.595 -8.464 -99.200 -91.000 TYR 73 0.840 -0.708 3.916 -15.765 -99.200 -91.000 TYR 81 0.840 -12.320 1.211 -6.079 -99.200 -91.000 TYR 95 0.840 -13.786 0.880 17.587 -99.200 -91.000 TYR 108 0.840 -14.756 14.910 9.972 -99.200 -91.000 TYR 118 0.840 -6.693 15.717 23.301 -99.200 -91.000 TYR 122 0.840 -0.882 7.182 20.225 -99.200 -91.000 PHE 150 1.000 -7.083 23.780 14.665 -99.200 -91.000 PHE 210 1.000 -16.991 39.954 9.569 -99.200 -91.000 TYR 224 0.840 -13.742 27.021 8.272 -99.200 -91.000 TYR 233 0.840 -15.220 24.254 13.285 -99.200 -91.000 TYR 264 0.840 -22.422 10.292 -25.120 -99.200 -91.000 PHE 266 1.000 -32.943 10.201 -23.024 -99.200 -91.000 TYR 273 0.840 -35.333 8.006 -11.385 -99.200 -91.000 TYR 274 0.840 -28.476 -0.205 -9.570 -99.200 -91.000 HIS 285 0.900 -31.189 21.783 -10.097 -99.200 -91.000 PHE 302 1.000 -41.042 18.163 -12.180 -99.200 -91.000 HIS 304 0.900 -45.221 15.488 -9.584 -99.200 -91.000 TYR 312 0.840 -35.277 7.934 -19.988 -99.200 -91.000 PHE 337 1.000 -32.712 12.431 -11.104 -99.200 -91.000 PHE 340 1.000 -32.510 12.451 -2.751 -99.200 -91.000