============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 4 0.840 10.300 -9.524 10.021 -99.200 -91.000 HIS 32 0.900 11.670 2.701 15.781 -99.200 -91.000 PHE 39 1.000 -3.746 -1.316 8.581 -99.200 -91.000 TYR 40 0.840 -1.973 -7.245 2.435 -99.200 -91.000 HIS 72 0.900 6.063 -5.752 27.374 -99.200 -91.000 TRP 89 1.040 -16.021 -21.537 19.016 -99.200 -91.000 TRP6 89 1.020 -15.992 -21.756 21.367 -99.200 -91.000 PHE 101 1.000 13.155 -12.137 19.282 -99.200 -91.000 HIS 115 0.900 1.632 -18.411 14.973 -99.200 -91.000 TYR 116 0.840 0.776 -25.804 14.125 -99.200 -91.000 PHE 123 1.000 -4.226 -16.100 8.198 -99.200 -91.000 TRP 126 1.040 -0.683 -13.171 -0.257 -99.200 -91.000 TRP6 126 1.020 0.724 -13.067 -2.154 -99.200 -91.000 PHE 129 1.000 7.032 -10.722 -1.790 -99.200 -91.000 PHE 137 1.000 9.558 -18.112 6.409 -99.200 -91.000 HIS 148 0.900 7.543 -16.637 -7.875 -99.200 -91.000 PHE 152 1.000 -0.032 -19.320 0.761 -99.200 -91.000 TRP 158 1.040 -10.318 -2.943 6.368 -99.200 -91.000 TRP6 158 1.020 -11.278 -4.979 7.069 -99.200 -91.000