============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 13 0.840 44.944 -35.031 29.073 -99.200 -91.000 PHE 19 1.000 59.247 -39.349 23.350 -99.200 -91.000 TRP 25 1.040 52.908 -32.808 16.050 -99.200 -91.000 TRP6 25 1.020 53.097 -30.853 17.360 -99.200 -91.000 HIS 44 0.900 50.910 -21.322 -8.390 -99.200 -91.000 TYR 52 0.840 40.788 -20.182 -14.565 -99.200 -91.000 TYR 71 0.840 47.169 -25.682 5.547 -99.200 -91.000 HIS 76 0.900 40.065 -31.910 13.651 -99.200 -91.000 TYR 79 0.840 43.130 -25.829 18.176 -99.200 -91.000 HIS 96 0.900 52.053 -16.139 41.226 -99.200 -91.000 HIS 108 0.900 54.193 -19.366 32.681 -99.200 -91.000 TYR 140 0.840 38.759 -22.307 11.400 -99.200 -91.000 TYR 145 0.840 39.093 -22.131 -3.846 -99.200 -91.000 PHE 177 1.000 42.124 -18.619 -1.185 -99.200 -91.000 HIS 187 0.900 55.261 -19.154 9.051 -99.200 -91.000 TYR 199 0.840 57.872 -32.701 25.088 -99.200 -91.000 TRP 203 1.040 62.509 -34.648 28.320 -99.200 -91.000 TRP6 203 1.020 62.101 -36.131 30.132 -99.200 -91.000 HIS 215 0.900 70.225 -32.056 50.340 -99.200 -91.000