============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 3 0.840 -8.452 21.972 69.674 -99.200 -91.000 PHE 7 1.000 -1.810 23.799 64.726 -99.200 -91.000 PHE 31 1.000 2.362 25.333 53.046 -99.200 -91.000 HIS 99 0.900 17.137 51.996 46.575 -99.200 -91.000 TRP 109 1.040 10.593 52.978 43.003 -99.200 -91.000 TRP6 109 1.020 10.529 53.432 45.315 -99.200 -91.000 PHE 121 1.000 -4.032 42.908 41.763 -99.200 -91.000 TRP 122 1.040 1.210 41.231 37.614 -99.200 -91.000 TRP6 122 1.020 -0.456 42.894 37.307 -99.200 -91.000 PHE 127 1.000 -1.593 30.036 40.908 -99.200 -91.000 PHE 155 1.000 20.420 54.615 54.876 -99.200 -91.000 TYR 159 0.840 12.702 44.040 51.429 -99.200 -91.000 HIS 167 0.900 3.437 44.118 56.177 -99.200 -91.000 TRP 177 1.040 -11.226 38.047 46.707 -99.200 -91.000 TRP6 177 1.020 -9.047 37.476 46.006 -99.200 -91.000 TYR 191 0.840 17.680 41.985 59.659 -99.200 -91.000 PHE 207 1.000 24.776 37.940 61.542 -99.200 -91.000 TRP 210 1.040 21.081 43.522 59.763 -99.200 -91.000 TRP6 210 1.020 21.232 42.012 57.961 -99.200 -91.000 PHE 231 1.000 -2.108 29.888 63.223 -99.200 -91.000 TYR 239 0.840 -13.396 34.877 63.906 -99.200 -91.000 TYR 251 0.840 14.682 44.993 63.861 -99.200 -91.000 TRP 254 1.040 14.124 46.162 72.525 -99.200 -91.000 TRP6 254 1.020 16.057 44.838 72.065 -99.200 -91.000