============================================================================= 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. PHE 4 1.000 -21.813 -12.336 -2.102 -99.200 -91.000 TYR 6 0.840 -10.482 -16.332 1.652 -99.200 -91.000 TRP 7 1.040 -11.040 -19.944 -4.031 -99.200 -91.000 TRP6 7 1.020 -8.696 -19.714 -4.244 -99.200 -91.000 TRP 21 1.040 -3.299 -17.946 -4.350 -99.200 -91.000 TRP6 21 1.020 -2.903 -19.188 -2.377 -99.200 -91.000 PHE 24 1.000 3.908 -12.137 -3.831 -99.200 -91.000 TYR 25 0.840 0.835 -10.457 -0.257 -99.200 -91.000 TYR 36 0.840 -15.151 -3.698 2.466 -99.200 -91.000 HIS 39 0.900 -15.943 3.611 -5.656 -99.200 -91.000 HIS 43 0.900 -14.212 -3.598 -5.003 -99.200 -91.000 TRP 44 1.040 -14.328 -8.406 1.326 -99.200 -91.000 TRP6 44 1.020 -12.675 -8.298 3.009 -99.200 -91.000 HIS 46 0.900 -8.258 -12.399 -5.371 -99.200 -91.000 HIS 59 0.900 3.661 -1.378 7.855 -99.200 -91.000 TYR 67 0.840 -6.327 -1.019 -0.864 -99.200 -91.000 TYR 68 0.840 -11.102 4.701 -0.362 -99.200 -91.000 HIS 72 0.900 -13.768 1.031 -7.386 -99.200 -91.000