============================================================================= 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 9 1.000 2.870 17.110 25.831 -99.200 -91.000 PHE 24 1.000 -2.103 21.432 30.668 -99.200 -91.000 TRP 40 1.040 2.987 -0.153 25.647 -99.200 -91.000 TRP6 40 1.020 2.358 -0.252 23.377 -99.200 -91.000 TYR 43 0.840 -1.360 8.979 32.749 -99.200 -91.000 HIS 44 0.900 -9.266 9.722 28.868 -99.200 -91.000 HIS 47 0.900 -6.614 23.158 29.496 -99.200 -91.000 PHE 78 1.000 2.357 1.394 14.005 -99.200 -91.000 PHE 98 1.000 28.194 16.469 24.953 -99.200 -91.000 PHE 109 1.000 19.439 22.991 25.693 -99.200 -91.000 PHE 116 1.000 17.997 6.227 15.840 -99.200 -91.000 HIS 117 0.900 24.168 8.390 21.131 -99.200 -91.000 PHE 126 1.000 22.122 -1.375 4.175 -99.200 -91.000 TYR 129 0.840 17.787 2.504 8.178 -99.200 -91.000 PHE 137 1.000 5.762 21.961 12.282 -99.200 -91.000 TYR 186 0.840 12.057 4.562 10.965 -99.200 -91.000 PHE 197 1.000 12.232 15.149 19.019 -99.200 -91.000 PHE 215 1.000 18.253 9.583 34.925 -99.200 -91.000 PHE 236 1.000 3.485 29.902 21.150 -99.200 -91.000