============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 5 0.840 -46.480 -28.881 2.086 -99.200 -91.000 HIS 13 0.900 -41.696 -20.255 11.761 -99.200 -91.000 PHE 22 1.000 -49.199 -17.091 -7.326 -99.200 -91.000 TYR 23 0.840 -46.257 -24.086 -4.087 -99.200 -91.000 TYR 24 0.840 -47.908 -16.351 -0.622 -99.200 -91.000 TYR 27 0.840 -37.628 -16.379 10.525 -99.200 -91.000 PHE 44 1.000 -30.198 -16.961 -1.625 -99.200 -91.000 PHE 66 1.000 -28.401 -8.164 2.646 -99.200 -91.000 TRP 70 1.040 -23.590 0.325 3.188 -99.200 -91.000 TRP6 70 1.020 -23.253 1.584 1.224 -99.200 -91.000 PHE 81 1.000 -32.045 -17.637 -6.643 -99.200 -91.000 TYR 85 0.840 -30.163 -13.746 -12.229 -99.200 -91.000 PHE 95 1.000 -31.589 -10.040 11.040 -99.200 -91.000 HIS 97 0.900 -32.313 -15.291 17.087 -99.200 -91.000 HIS 98 0.900 -25.180 -13.677 19.460 -99.200 -91.000 PHE 106 1.000 -29.389 -12.994 3.377 -99.200 -91.000 TYR 113 0.840 -47.346 -19.484 -11.173 -99.200 -91.000 HIS 116 0.900 -50.564 -26.684 -7.985 -99.200 -91.000