============================================================================= 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 8 0.840 -17.552 35.064 8.951 -99.200 -91.000 HIS 12 0.900 -23.295 34.058 6.079 -99.200 -91.000 TYR 20 0.840 -17.556 31.635 17.509 -99.200 -91.000 TYR 34 0.840 -19.638 42.748 27.050 -99.200 -91.000 HIS 45 0.900 -15.087 43.089 3.765 -99.200 -91.000 HIS 59 0.900 -34.294 27.261 12.085 -99.200 -91.000 HIS 72 0.900 1.220 24.469 10.023 -99.200 -91.000 HIS 79 0.900 1.562 16.261 6.906 -99.200 -91.000 TRP 91 1.040 -30.742 26.539 17.126 -99.200 -91.000 TRP6 91 1.020 -32.084 25.522 15.472 -99.200 -91.000 TRP 111 1.040 -14.414 18.502 -2.189 -99.200 -91.000 TRP6 111 1.020 -15.031 19.062 -4.407 -99.200 -91.000 TYR 122 0.840 -11.550 24.691 27.084 -99.200 -91.000 TYR 132 0.840 -14.948 17.903 18.642 -99.200 -91.000 PHE 135 1.000 -19.033 13.533 12.377 -99.200 -91.000 PHE 137 1.000 -11.327 15.108 14.553 -99.200 -91.000 TYR 146 0.840 -4.036 24.520 24.639 -99.200 -91.000 PHE 153 1.000 -3.602 29.792 34.424 -99.200 -91.000 TYR 157 0.840 -8.934 14.436 27.263 -99.200 -91.000