============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 29 0.840 18.302 6.794 18.409 -99.200 -91.000 TYR 32 0.840 23.369 9.862 24.965 -99.200 -91.000 HIS 52 0.900 6.075 14.447 27.616 -99.200 -91.000 TRP 63 1.040 3.875 15.654 15.258 -99.200 -91.000 TRP6 63 1.020 1.943 15.199 14.000 -99.200 -91.000 PHE 64 1.000 7.174 14.576 8.342 -99.200 -91.000 TYR 87 0.840 14.315 16.689 8.465 -99.200 -91.000 HIS 95 0.900 11.958 0.772 8.733 -99.200 -91.000 TRP 114 1.040 -0.691 -14.798 8.713 -99.200 -91.000 TRP6 114 1.020 0.430 -16.424 9.983 -99.200 -91.000 PHE 126 1.000 9.042 -3.580 -0.559 -99.200 -91.000 PHE 146 1.000 15.063 -3.525 8.397 -99.200 -91.000 TRP 159 1.040 5.622 -16.404 20.872 -99.200 -91.000 TRP6 159 1.020 5.485 -14.176 21.668 -99.200 -91.000 TYR 162 0.840 6.059 -10.024 17.530 -99.200 -91.000 PHE 167 1.000 11.997 -17.459 12.119 -99.200 -91.000 TYR 180 0.840 21.262 -0.516 -0.498 -99.200 -91.000 PHE 203 1.000 5.556 -13.317 27.671 -99.200 -91.000 TYR 221 0.840 16.686 0.021 20.525 -99.200 -91.000 TRP 223 1.040 28.188 -0.378 19.588 -99.200 -91.000 TRP6 223 1.020 27.843 -2.092 17.994 -99.200 -91.000 PHE 237 1.000 25.000 -6.042 16.137 -99.200 -91.000