============================================================================= 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 33 1.000 -9.922 -16.254 52.799 -99.200 -91.000 HIS 41 0.900 -15.799 -8.218 52.808 -99.200 -91.000 HIS 49 0.900 -14.553 3.296 44.863 -99.200 -91.000 TYR 55 0.840 -8.528 5.151 30.065 -99.200 -91.000 TYR 66 0.840 -9.985 -20.667 54.053 -99.200 -91.000 PHE 81 1.000 1.320 -14.567 62.079 -99.200 -91.000 TRP 92 1.040 12.762 -10.015 58.776 -99.200 -91.000 TRP6 92 1.020 13.568 -10.475 56.604 -99.200 -91.000 HIS 111 0.900 -10.860 -24.454 53.586 -99.200 -91.000 PHE 120 1.000 0.827 -21.081 37.505 -99.200 -91.000 HIS 136 0.900 3.260 -30.713 44.737 -99.200 -91.000 HIS 138 0.900 -0.643 -30.990 53.946 -99.200 -91.000 TYR 160 0.840 16.779 0.273 39.935 -99.200 -91.000 TYR 161 0.840 20.327 -3.067 44.338 -99.200 -91.000 HIS 176 0.900 19.377 -17.058 34.509 -99.200 -91.000 HIS 181 0.900 13.141 -14.858 48.498 -99.200 -91.000 TYR 191 0.840 24.622 -19.515 33.888 -99.200 -91.000 PHE 201 1.000 28.713 -3.898 29.437 -99.200 -91.000 PHE 216 1.000 27.103 -11.137 42.891 -99.200 -91.000 HIS 230 0.900 7.499 0.720 55.317 -99.200 -91.000 TYR 234 0.840 4.397 -2.750 51.264 -99.200 -91.000 TYR 248 0.840 -2.241 -20.293 34.235 -99.200 -91.000 TYR 266 0.840 19.667 -27.009 38.712 -99.200 -91.000 HIS 268 0.900 20.222 -31.015 44.958 -99.200 -91.000 PHE 272 1.000 7.617 -27.381 44.831 -99.200 -91.000 PHE 300 1.000 20.347 -25.732 42.616 -99.200 -91.000