============================================================================= 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. PHE 12 1.000 24.186 53.867 13.204 -99.200 -91.000 PHE 19 1.000 27.503 51.813 10.635 -99.200 -91.000 TYR 22 0.840 22.131 45.129 20.015 -99.200 -91.000 TRP 44 1.040 16.426 50.108 15.810 -99.200 -91.000 TRP6 44 1.020 17.979 51.890 15.756 -99.200 -91.000 PHE 48 1.000 12.329 50.068 23.912 -99.200 -91.000 PHE 50 1.000 12.690 51.306 30.191 -99.200 -91.000 TRP 64 1.040 25.641 47.702 22.709 -99.200 -91.000 TRP6 64 1.020 27.858 47.211 23.244 -99.200 -91.000 TRP 70 1.040 33.891 41.937 18.495 -99.200 -91.000 TRP6 70 1.020 35.304 40.403 17.387 -99.200 -91.000 TRP 78 1.040 23.807 58.325 32.745 -99.200 -91.000 TRP6 78 1.020 24.000 60.147 34.233 -99.200 -91.000 TRP 95 1.040 17.919 64.227 14.190 -99.200 -91.000 TRP6 95 1.020 18.545 62.067 13.452 -99.200 -91.000 PHE 117 1.000 33.075 63.453 13.420 -99.200 -91.000 HIS 118 0.900 28.998 56.577 14.151 -99.200 -91.000 HIS 125 0.900 6.278 61.103 26.987 -99.200 -91.000 PHE 126 1.000 10.639 60.550 34.358 -99.200 -91.000