============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 3 1.000 -3.178 41.057 -2.025 -99.200 -91.000 HIS 28 0.900 9.382 29.539 -7.173 -99.200 -91.000 HIS 37 0.900 0.299 14.716 -3.416 -99.200 -91.000 PHE 56 1.000 11.749 21.794 1.087 -99.200 -91.000 PHE 58 1.000 7.633 17.511 0.842 -99.200 -91.000 PHE 97 1.000 -27.344 7.421 -6.635 -99.200 -91.000 TRP 105 1.040 -19.885 7.171 -1.758 -99.200 -91.000 TRP6 105 1.020 -21.192 9.095 -2.210 -99.200 -91.000 PHE 117 1.000 -9.991 13.416 9.614 -99.200 -91.000 HIS 125 0.900 -1.705 21.312 18.520 -99.200 -91.000 TYR 153 0.840 -15.285 16.663 -8.458 -99.200 -91.000 PHE 163 1.000 -11.908 19.224 7.004 -99.200 -91.000 PHE 185 1.000 -17.417 22.783 -15.793 -99.200 -91.000 TYR 215 0.840 -8.085 37.785 -0.994 -99.200 -91.000 TYR 223 0.840 -12.199 40.022 10.524 -99.200 -91.000 HIS 230 0.900 -18.730 29.999 -5.374 -99.200 -91.000