============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. TYR 6 0.840 -12.499 -21.053 2.346 -99.200 -91.000 TYR 10 0.840 -13.883 -28.400 -4.391 -99.200 -91.000 PHE 18 1.000 -14.808 -19.985 -11.255 -99.200 -91.000 PHE 21 1.000 -18.049 -15.606 -13.893 -99.200 -91.000 HIS 25 0.900 -19.561 -11.441 -13.292 -99.200 -91.000 TYR 34 0.840 -8.031 -15.004 -1.031 -99.200 -91.000 TYR 50 0.840 -23.099 -3.370 2.206 -99.200 -91.000 TYR 75 0.840 -22.548 -21.270 0.160 -99.200 -91.000 PHE 77 1.000 -22.881 -16.683 3.185 -99.200 -91.000 TYR 80 0.840 -16.707 -6.068 6.831 -99.200 -91.000 PHE 84 1.000 -9.587 -10.027 2.111 -99.200 -91.000 PHE 87 1.000 -12.559 -10.858 -5.452 -99.200 -91.000 TYR 90 0.840 -4.027 -13.376 -3.923 -99.200 -91.000