============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 36 1.000 56.926 23.215 40.138 -99.200 -91.000 TRP 39 1.040 65.320 19.345 29.162 -99.200 -91.000 TRP6 39 1.020 67.422 20.302 28.612 -99.200 -91.000 TYR 53 0.840 54.563 17.832 32.309 -99.200 -91.000 PHE 66 1.000 62.183 15.843 20.870 -99.200 -91.000 PHE 75 1.000 67.349 18.625 36.504 -99.200 -91.000 TYR 90 0.840 66.294 20.891 20.776 -99.200 -91.000 TYR 91 0.840 66.100 29.016 24.254 -99.200 -91.000 TRP 93 1.040 61.039 28.445 32.883 -99.200 -91.000 TRP6 93 1.020 59.456 27.315 34.214 -99.200 -91.000 HIS 97 0.900 65.350 27.206 44.233 -99.200 -91.000 PHE 98 1.000 60.362 36.177 42.574 -99.200 -91.000 TYR 100 0.840 59.050 31.125 38.752 -99.200 -91.000 PHE 102 1.000 62.726 30.968 29.890 -99.200 -91.000 PHE 122 1.000 67.336 38.109 -9.057 -99.200 -91.000 PHE 139 1.000 67.569 36.855 -3.704 -99.200 -91.000 PHE 143 1.000 75.168 28.966 1.672 -99.200 -91.000 TYR 144 0.840 75.853 21.250 5.871 -99.200 -91.000 TRP 152 1.040 78.078 42.402 -4.041 -99.200 -91.000 TRP6 152 1.020 76.343 42.268 -5.637 -99.200 -91.000 TYR 176 0.840 73.220 26.531 7.599 -99.200 -91.000 TYR 189 0.840 72.771 50.121 -12.291 -99.200 -91.000 HIS 192 0.900 81.578 52.371 -12.442 -99.200 -91.000 TYR 195 0.840 76.894 47.560 -11.864 -99.200 -91.000 HIS 201 0.900 79.598 25.977 0.155 -99.200 -91.000 PHE 212 1.000 73.407 43.602 -13.485 -99.200 -91.000