============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 19 1.000 12.188 8.269 55.374 -99.200 -91.000 PHE 22 1.000 7.183 10.817 56.023 -99.200 -91.000 TRP 24 1.040 11.078 18.618 63.066 -99.200 -91.000 TRP6 24 1.020 9.467 20.175 62.373 -99.200 -91.000 HIS 33 0.900 7.749 15.220 73.104 -99.200 -91.000 PHE 54 1.000 7.858 7.864 63.158 -99.200 -91.000 TYR 59 0.840 6.315 0.457 56.973 -99.200 -91.000 HIS 61 0.900 -0.296 9.440 55.131 -99.200 -91.000 PHE 76 1.000 17.032 4.870 72.954 -99.200 -91.000 TRP 78 1.040 14.766 8.279 75.099 -99.200 -91.000 TRP6 78 1.020 15.800 9.669 73.499 -99.200 -91.000 PHE 85 1.000 11.650 13.470 65.958 -99.200 -91.000