============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 29 1.000 40.111 6.697 -42.219 -99.200 -91.000 TYR 32 0.840 37.286 4.883 -50.432 -99.200 -91.000 TRP 33 1.040 40.918 12.271 -52.036 -99.200 -91.000 TRP6 33 1.020 40.171 13.470 -53.908 -99.200 -91.000 TRP 36 1.040 35.166 16.053 -39.960 -99.200 -91.000 TRP6 36 1.020 33.740 14.790 -38.546 -99.200 -91.000 TRP 47 1.040 34.222 20.504 -48.053 -99.200 -91.000 TRP6 47 1.020 35.818 22.223 -48.293 -99.200 -91.000 TYR 58 0.840 48.495 11.540 -43.659 -99.200 -91.000 TYR 61 0.840 43.025 20.743 -50.165 -99.200 -91.000 TYR 62 0.840 41.355 22.951 -42.383 -99.200 -91.000 PHE 70 1.000 35.526 24.008 -37.310 -99.200 -91.000 TYR 82 0.840 41.010 11.200 -34.256 -99.200 -91.000 TYR 95 0.840 30.157 20.552 -36.943 -99.200 -91.000 TYR 96 0.840 24.895 14.856 -41.456 -99.200 -91.000 PHE 98 1.000 30.220 14.226 -49.064 -99.200 -91.000 TYR 103 0.840 30.758 4.912 -49.773 -99.200 -91.000 TRP 104 1.040 26.231 12.263 -47.512 -99.200 -91.000 TRP6 104 1.020 26.372 14.510 -46.782 -99.200 -91.000 TYR 123 0.840 6.347 14.855 -15.922 -99.200 -91.000 TYR 140 0.840 14.590 18.176 -25.111 -99.200 -91.000 PHE 141 1.000 20.089 24.821 -24.845 -99.200 -91.000 TRP 149 1.040 7.214 4.564 -27.890 -99.200 -91.000 TRP6 149 1.020 5.916 5.124 -26.004 -99.200 -91.000 HIS 159 0.900 3.112 9.670 -34.900 -99.200 -91.000 PHE 161 1.000 3.292 14.274 -32.430 -99.200 -91.000 TYR 170 0.840 15.315 23.075 -28.191 -99.200 -91.000 TRP 183 1.040 -0.902 0.021 -21.922 -99.200 -91.000 TRP6 183 1.020 -2.719 1.447 -21.396 -99.200 -91.000 HIS 194 0.900 19.404 16.296 -23.136 -99.200 -91.000