============================================================================= 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 4 1.000 38.358 2.868 17.072 -99.200 -91.000 TYR 18 0.840 43.805 20.265 15.361 -99.200 -91.000 TYR 24 0.840 34.226 25.675 11.477 -99.200 -91.000 TYR 25 0.840 39.708 28.303 18.148 -99.200 -91.000 HIS 31 0.900 35.715 16.170 20.514 -99.200 -91.000 PHE 67 1.000 40.019 8.137 16.750 -99.200 -91.000 TYR 88 0.840 27.436 0.909 9.098 -99.200 -91.000 PHE 104 1.000 36.029 11.276 13.712 -99.200 -91.000 PHE 114 1.000 28.402 14.032 -0.204 -99.200 -91.000 TRP 126 1.040 31.310 -1.575 -5.901 -99.200 -91.000 TRP6 126 1.020 30.197 -1.009 -3.888 -99.200 -91.000 TRP 138 1.040 34.651 15.005 1.544 -99.200 -91.000 TRP6 138 1.020 34.432 12.948 0.415 -99.200 -91.000 TYR 139 0.840 37.986 15.127 -5.891 -99.200 -91.000 PHE 153 1.000 32.199 5.187 0.449 -99.200 -91.000 TRP 158 1.040 41.365 -1.903 5.043 -99.200 -91.000 TRP6 158 1.020 40.274 -0.000 5.987 -99.200 -91.000 TYR 161 0.840 42.711 5.378 4.298 -99.200 -91.000