============================================================================= 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 5 1.000 86.023 6.689 0.249 -99.200 -91.000 TYR 19 0.840 99.129 2.636 -4.454 -99.200 -91.000 TYR 25 0.840 106.825 10.512 -8.407 -99.200 -91.000 TYR 26 0.840 108.297 4.097 -1.871 -99.200 -91.000 HIS 32 0.900 98.992 11.956 2.643 -99.200 -91.000 PHE 68 1.000 88.919 11.013 -0.637 -99.200 -91.000 TYR 89 0.840 85.507 24.458 -5.795 -99.200 -91.000 PHE 105 1.000 92.522 14.146 -3.686 -99.200 -91.000 PHE 115 1.000 94.342 20.905 -18.355 -99.200 -91.000 TRP 127 1.040 77.326 22.636 -18.656 -99.200 -91.000 TRP6 127 1.020 78.570 23.668 -16.930 -99.200 -91.000 TRP 139 1.040 94.585 14.328 -17.090 -99.200 -91.000 TRP6 139 1.020 92.334 14.879 -17.559 -99.200 -91.000 TYR 140 0.840 91.050 11.807 -23.770 -99.200 -91.000 PHE 154 1.000 85.143 19.194 -15.112 -99.200 -91.000 TRP 159 1.040 77.199 12.234 -8.350 -99.200 -91.000 TRP6 159 1.020 79.345 12.879 -7.590 -99.200 -91.000 TYR 162 0.840 83.118 8.401 -11.755 -99.200 -91.000